USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 662 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 4 SER OG : rot 180:sc= -0.151 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0752 USER MOD Single : A 31 HIS :FLIP no HE2:sc= 0.273 F(o=-1.1,f=0.27) USER MOD Single : B 64 SER OG : rot 180:sc= -0.134 USER MOD Single : B 67 THR OG1 : rot 180:sc= -0.0855 USER MOD Single : B 91 HIS :FLIP no HE2:sc= 0.269 F(o=-1,f=0.27) USER MOD ----------------------------------------------------------------- ATOM 25 N ILE A 2 -1.001 -1.309 -30.615 1.00 0.00 N ATOM 26 CA ILE A 2 -1.435 -1.807 -29.311 1.00 0.00 C ATOM 27 C ILE A 2 -2.467 -0.872 -28.676 1.00 0.00 C ATOM 28 O ILE A 2 -2.399 0.346 -28.861 1.00 0.00 O ATOM 29 CB ILE A 2 -0.245 -1.997 -28.337 1.00 0.00 C ATOM 30 CG1 ILE A 2 0.738 -0.820 -28.416 1.00 0.00 C ATOM 31 CG2 ILE A 2 0.473 -3.306 -28.631 1.00 0.00 C ATOM 32 CD1 ILE A 2 0.474 0.263 -27.391 1.00 0.00 C ATOM 0 HA ILE A 2 -1.893 -2.780 -29.489 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.644 -2.031 -27.323 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.752 -1.196 -28.282 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.689 -0.384 -29.414 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.307 -3.427 -27.939 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.222 -4.137 -28.510 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.849 -3.293 -29.654 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.207 1.061 -27.508 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.528 0.667 -27.538 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.552 -0.158 -26.389 1.00 0.00 H new ATOM 44 N PRO A 3 -3.437 -1.428 -27.915 1.00 0.00 N ATOM 45 CA PRO A 3 -4.484 -0.633 -27.252 1.00 0.00 C ATOM 46 C PRO A 3 -3.937 0.232 -26.114 1.00 0.00 C ATOM 47 O PRO A 3 -3.059 -0.199 -25.363 1.00 0.00 O ATOM 48 CB PRO A 3 -5.447 -1.691 -26.705 1.00 0.00 C ATOM 49 CG PRO A 3 -4.634 -2.931 -26.564 1.00 0.00 C ATOM 50 CD PRO A 3 -3.596 -2.876 -27.652 1.00 0.00 C ATOM 0 HA PRO A 3 -4.950 0.072 -27.941 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.865 -1.384 -25.746 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.286 -1.846 -27.383 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.166 -2.980 -25.581 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.258 -3.819 -26.665 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -2.658 -3.330 -27.333 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -3.922 -3.411 -28.544 1.00 0.00 H new ATOM 58 N SER A 4 -4.467 1.449 -25.997 1.00 0.00 N ATOM 59 CA SER A 4 -4.041 2.386 -24.955 1.00 0.00 C ATOM 60 C SER A 4 -4.713 2.076 -23.615 1.00 0.00 C ATOM 61 O SER A 4 -4.370 2.668 -22.588 1.00 0.00 O ATOM 62 CB SER A 4 -4.360 3.823 -25.379 1.00 0.00 C ATOM 63 OG SER A 4 -3.753 4.761 -24.507 1.00 0.00 O ATOM 0 H SER A 4 -5.195 1.811 -26.613 1.00 0.00 H new ATOM 0 HA SER A 4 -2.964 2.276 -24.825 1.00 0.00 H new ATOM 0 HB2 SER A 4 -4.011 3.990 -26.398 1.00 0.00 H new ATOM 0 HB3 SER A 4 -5.440 3.972 -25.384 1.00 0.00 H new ATOM 0 HG SER A 4 -3.971 5.670 -24.801 1.00 0.00 H new ATOM 69 N ILE A 5 -5.668 1.143 -23.632 1.00 0.00 N ATOM 70 CA ILE A 5 -6.393 0.750 -22.423 1.00 0.00 C ATOM 71 C ILE A 5 -5.601 -0.283 -21.617 1.00 0.00 C ATOM 72 O ILE A 5 -5.671 -0.308 -20.387 1.00 0.00 O ATOM 73 CB ILE A 5 -7.793 0.171 -22.755 1.00 0.00 C ATOM 74 CG1 ILE A 5 -8.495 1.015 -23.826 1.00 0.00 C ATOM 75 CG2 ILE A 5 -8.658 0.100 -21.500 1.00 0.00 C ATOM 76 CD1 ILE A 5 -8.349 0.460 -25.227 1.00 0.00 C ATOM 0 H ILE A 5 -5.957 0.644 -24.473 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.521 1.654 -21.827 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.653 -0.838 -23.144 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -9.555 1.088 -23.582 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.091 2.027 -23.801 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -9.636 -0.309 -21.755 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.177 -0.542 -20.762 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.780 1.101 -21.085 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.870 1.108 -25.931 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.293 0.412 -25.491 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.779 -0.541 -25.268 1.00 0.00 H new ATOM 88 N ALA A 6 -4.846 -1.132 -22.320 1.00 0.00 N ATOM 89 CA ALA A 6 -4.040 -2.169 -21.679 1.00 0.00 C ATOM 90 C ALA A 6 -2.689 -1.626 -21.213 1.00 0.00 C ATOM 91 O ALA A 6 -2.092 -2.151 -20.272 1.00 0.00 O ATOM 92 CB ALA A 6 -3.837 -3.338 -22.629 1.00 0.00 C ATOM 0 H ALA A 6 -4.778 -1.119 -23.338 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.581 -2.512 -20.797 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.235 -4.104 -22.140 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.805 -3.757 -22.902 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.325 -2.992 -23.527 1.00 0.00 H new ATOM 98 N THR A 7 -2.220 -0.564 -21.875 1.00 0.00 N ATOM 99 CA THR A 7 -0.937 0.061 -21.541 1.00 0.00 C ATOM 100 C THR A 7 -0.950 0.655 -20.129 1.00 0.00 C ATOM 101 O THR A 7 0.073 0.661 -19.442 1.00 0.00 O ATOM 102 CB THR A 7 -0.576 1.168 -22.555 1.00 0.00 C ATOM 103 OG1 THR A 7 -1.067 0.824 -23.856 1.00 0.00 O ATOM 104 CG2 THR A 7 0.933 1.378 -22.623 1.00 0.00 C ATOM 0 H THR A 7 -2.712 -0.118 -22.649 1.00 0.00 H new ATOM 0 HA THR A 7 -0.183 -0.725 -21.584 1.00 0.00 H new ATOM 0 HB THR A 7 -1.043 2.094 -22.220 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.835 1.533 -24.491 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.159 2.163 -23.345 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.304 1.670 -21.641 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.416 0.451 -22.932 1.00 0.00 H new ATOM 112 N GLY A 8 -2.114 1.154 -19.708 1.00 0.00 N ATOM 113 CA GLY A 8 -2.247 1.735 -18.379 1.00 0.00 C ATOM 114 C GLY A 8 -2.461 0.680 -17.308 1.00 0.00 C ATOM 115 O GLY A 8 -1.885 0.760 -16.216 1.00 0.00 O ATOM 0 H GLY A 8 -2.968 1.166 -20.265 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.351 2.311 -18.145 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.085 2.432 -18.372 1.00 0.00 H new ATOM 119 N LEU A 9 -3.284 -0.319 -17.633 1.00 0.00 N ATOM 120 CA LEU A 9 -3.591 -1.410 -16.709 1.00 0.00 C ATOM 121 C LEU A 9 -2.339 -2.207 -16.353 1.00 0.00 C ATOM 122 O LEU A 9 -2.119 -2.538 -15.191 1.00 0.00 O ATOM 123 CB LEU A 9 -4.641 -2.348 -17.317 1.00 0.00 C ATOM 124 CG LEU A 9 -6.039 -1.741 -17.500 1.00 0.00 C ATOM 125 CD1 LEU A 9 -6.811 -2.496 -18.570 1.00 0.00 C ATOM 126 CD2 LEU A 9 -6.807 -1.757 -16.184 1.00 0.00 C ATOM 0 H LEU A 9 -3.752 -0.394 -18.536 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.988 -0.965 -15.796 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.281 -2.688 -18.288 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.727 -3.230 -16.682 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.923 -0.706 -17.820 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.800 -2.052 -18.687 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.273 -2.438 -19.516 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.914 -3.540 -18.275 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.795 -1.323 -16.334 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.911 -2.785 -15.836 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.264 -1.175 -15.439 1.00 0.00 H new ATOM 138 N VAL A 10 -1.513 -2.500 -17.359 1.00 0.00 N ATOM 139 CA VAL A 10 -0.284 -3.267 -17.145 1.00 0.00 C ATOM 140 C VAL A 10 0.669 -2.555 -16.185 1.00 0.00 C ATOM 141 O VAL A 10 1.267 -3.181 -15.310 1.00 0.00 O ATOM 142 CB VAL A 10 0.440 -3.579 -18.479 1.00 0.00 C ATOM 143 CG1 VAL A 10 -0.399 -4.528 -19.325 1.00 0.00 C ATOM 144 CG2 VAL A 10 0.755 -2.306 -19.262 1.00 0.00 C ATOM 0 H VAL A 10 -1.672 -2.219 -18.327 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.585 -4.211 -16.691 1.00 0.00 H new ATOM 0 HB VAL A 10 1.388 -4.060 -18.237 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.121 -4.739 -20.259 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.557 -5.458 -18.780 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.362 -4.067 -19.542 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.262 -2.566 -20.191 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.172 -1.780 -19.490 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.400 -1.662 -18.665 1.00 0.00 H new ATOM 154 N GLY A 11 0.778 -1.239 -16.342 1.00 0.00 N ATOM 155 CA GLY A 11 1.654 -0.445 -15.491 1.00 0.00 C ATOM 156 C GLY A 11 1.182 -0.386 -14.051 1.00 0.00 C ATOM 157 O GLY A 11 1.964 -0.620 -13.126 1.00 0.00 O ATOM 0 H GLY A 11 0.273 -0.703 -17.048 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.660 -0.864 -15.522 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.719 0.568 -15.889 1.00 0.00 H new ATOM 161 N ALA A 12 -0.106 -0.090 -13.860 1.00 0.00 N ATOM 162 CA ALA A 12 -0.677 0.020 -12.517 1.00 0.00 C ATOM 163 C ALA A 12 -0.866 -1.336 -11.846 1.00 0.00 C ATOM 164 O ALA A 12 -0.553 -1.491 -10.667 1.00 0.00 O ATOM 165 CB ALA A 12 -1.998 0.773 -12.566 1.00 0.00 C ATOM 0 H ALA A 12 -0.770 0.077 -14.616 1.00 0.00 H new ATOM 0 HA ALA A 12 0.038 0.577 -11.912 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.412 0.848 -11.560 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.832 1.774 -12.965 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.698 0.238 -13.208 1.00 0.00 H new ATOM 171 N LEU A 13 -1.373 -2.313 -12.594 1.00 0.00 N ATOM 172 CA LEU A 13 -1.598 -3.650 -12.050 1.00 0.00 C ATOM 173 C LEU A 13 -0.275 -4.319 -11.678 1.00 0.00 C ATOM 174 O LEU A 13 -0.184 -4.990 -10.644 1.00 0.00 O ATOM 175 CB LEU A 13 -2.382 -4.508 -13.048 1.00 0.00 C ATOM 176 CG LEU A 13 -3.909 -4.345 -12.990 1.00 0.00 C ATOM 177 CD1 LEU A 13 -4.337 -2.952 -13.446 1.00 0.00 C ATOM 178 CD2 LEU A 13 -4.586 -5.411 -13.838 1.00 0.00 C ATOM 0 H LEU A 13 -1.635 -2.205 -13.574 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.190 -3.554 -11.140 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.044 -4.265 -14.056 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.137 -5.556 -12.873 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.220 -4.467 -11.953 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.423 -2.869 -13.393 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.884 -2.202 -12.798 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.010 -2.789 -14.473 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.667 -5.284 -13.788 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.257 -5.316 -14.873 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.319 -6.399 -13.462 1.00 0.00 H new ATOM 190 N LEU A 14 0.752 -4.126 -12.512 1.00 0.00 N ATOM 191 CA LEU A 14 2.071 -4.700 -12.245 1.00 0.00 C ATOM 192 C LEU A 14 2.758 -3.974 -11.092 1.00 0.00 C ATOM 193 O LEU A 14 3.392 -4.604 -10.242 1.00 0.00 O ATOM 194 CB LEU A 14 2.950 -4.655 -13.499 1.00 0.00 C ATOM 195 CG LEU A 14 3.004 -5.956 -14.307 1.00 0.00 C ATOM 196 CD1 LEU A 14 1.742 -6.130 -15.141 1.00 0.00 C ATOM 197 CD2 LEU A 14 4.238 -5.975 -15.198 1.00 0.00 C ATOM 0 H LEU A 14 0.695 -3.580 -13.372 1.00 0.00 H new ATOM 0 HA LEU A 14 1.929 -5.742 -11.960 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.588 -3.858 -14.148 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.964 -4.388 -13.202 1.00 0.00 H new ATOM 0 HG LEU A 14 3.066 -6.790 -13.608 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.804 -7.060 -15.705 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.873 -6.162 -14.484 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.644 -5.293 -15.832 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.263 -6.905 -15.766 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.203 -5.131 -15.886 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.134 -5.903 -14.581 1.00 0.00 H new ATOM 209 N LEU A 15 2.610 -2.647 -11.056 1.00 0.00 N ATOM 210 CA LEU A 15 3.213 -1.841 -9.995 1.00 0.00 C ATOM 211 C LEU A 15 2.507 -2.090 -8.665 1.00 0.00 C ATOM 212 O LEU A 15 3.147 -2.160 -7.616 1.00 0.00 O ATOM 213 CB LEU A 15 3.161 -0.351 -10.348 1.00 0.00 C ATOM 214 CG LEU A 15 4.513 0.287 -10.685 1.00 0.00 C ATOM 215 CD1 LEU A 15 4.733 0.312 -12.190 1.00 0.00 C ATOM 216 CD2 LEU A 15 4.602 1.691 -10.108 1.00 0.00 C ATOM 0 H LEU A 15 2.081 -2.112 -11.745 1.00 0.00 H new ATOM 0 HA LEU A 15 4.257 -2.138 -9.898 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.493 -0.219 -11.199 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.721 0.189 -9.510 1.00 0.00 H new ATOM 0 HG LEU A 15 5.299 -0.319 -10.234 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.698 0.769 -12.409 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.717 -0.707 -12.577 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.941 0.892 -12.664 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.569 2.127 -10.358 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.807 2.308 -10.527 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.494 1.647 -9.024 1.00 0.00 H new ATOM 228 N LEU A 16 1.181 -2.243 -8.725 1.00 0.00 N ATOM 229 CA LEU A 16 0.375 -2.503 -7.535 1.00 0.00 C ATOM 230 C LEU A 16 0.629 -3.915 -7.010 1.00 0.00 C ATOM 231 O LEU A 16 0.610 -4.148 -5.801 1.00 0.00 O ATOM 232 CB LEU A 16 -1.115 -2.323 -7.847 1.00 0.00 C ATOM 233 CG LEU A 16 -1.980 -1.867 -6.668 1.00 0.00 C ATOM 234 CD1 LEU A 16 -1.983 -0.349 -6.556 1.00 0.00 C ATOM 235 CD2 LEU A 16 -3.399 -2.394 -6.816 1.00 0.00 C ATOM 0 H LEU A 16 0.644 -2.190 -9.590 1.00 0.00 H new ATOM 0 HA LEU A 16 0.664 -1.786 -6.766 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.215 -1.596 -8.653 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.508 -3.269 -8.220 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.553 -2.275 -5.752 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.604 -0.048 -5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.964 0.007 -6.402 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.384 0.083 -7.473 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.001 -2.061 -5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.833 -2.016 -7.741 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.382 -3.484 -6.842 1.00 0.00 H new ATOM 247 N LEU A 17 0.869 -4.851 -7.933 1.00 0.00 N ATOM 248 CA LEU A 17 1.135 -6.243 -7.575 1.00 0.00 C ATOM 249 C LEU A 17 2.494 -6.386 -6.883 1.00 0.00 C ATOM 250 O LEU A 17 2.610 -7.081 -5.870 1.00 0.00 O ATOM 251 CB LEU A 17 1.086 -7.130 -8.826 1.00 0.00 C ATOM 252 CG LEU A 17 0.768 -8.608 -8.572 1.00 0.00 C ATOM 253 CD1 LEU A 17 -0.736 -8.840 -8.564 1.00 0.00 C ATOM 254 CD2 LEU A 17 1.439 -9.483 -9.620 1.00 0.00 C ATOM 0 H LEU A 17 0.884 -4.667 -8.936 1.00 0.00 H new ATOM 0 HA LEU A 17 0.362 -6.565 -6.877 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.337 -6.727 -9.508 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.048 -7.065 -9.335 1.00 0.00 H new ATOM 0 HG LEU A 17 1.160 -8.881 -7.592 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.940 -9.895 -8.382 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.192 -8.241 -7.776 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.154 -8.550 -9.528 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.203 -10.529 -9.425 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.076 -9.207 -10.610 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.519 -9.340 -9.576 1.00 0.00 H new ATOM 266 N VAL A 18 3.516 -5.716 -7.429 1.00 0.00 N ATOM 267 CA VAL A 18 4.869 -5.767 -6.861 1.00 0.00 C ATOM 268 C VAL A 18 4.933 -5.039 -5.513 1.00 0.00 C ATOM 269 O VAL A 18 5.528 -5.544 -4.557 1.00 0.00 O ATOM 270 CB VAL A 18 5.919 -5.162 -7.828 1.00 0.00 C ATOM 271 CG1 VAL A 18 7.323 -5.244 -7.237 1.00 0.00 C ATOM 272 CG2 VAL A 18 5.876 -5.860 -9.179 1.00 0.00 C ATOM 0 H VAL A 18 3.432 -5.133 -8.262 1.00 0.00 H new ATOM 0 HA VAL A 18 5.106 -6.820 -6.707 1.00 0.00 H new ATOM 0 HB VAL A 18 5.669 -4.111 -7.971 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.038 -4.812 -7.937 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.355 -4.691 -6.298 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.580 -6.287 -7.053 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.621 -5.418 -9.841 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.090 -6.921 -9.048 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.885 -5.742 -9.618 1.00 0.00 H new ATOM 282 N VAL A 19 4.313 -3.857 -5.443 1.00 0.00 N ATOM 283 CA VAL A 19 4.300 -3.062 -4.211 1.00 0.00 C ATOM 284 C VAL A 19 3.499 -3.764 -3.108 1.00 0.00 C ATOM 285 O VAL A 19 3.933 -3.813 -1.953 1.00 0.00 O ATOM 286 CB VAL A 19 3.724 -1.643 -4.461 1.00 0.00 C ATOM 287 CG1 VAL A 19 3.567 -0.869 -3.158 1.00 0.00 C ATOM 288 CG2 VAL A 19 4.611 -0.868 -5.426 1.00 0.00 C ATOM 0 H VAL A 19 3.814 -3.430 -6.224 1.00 0.00 H new ATOM 0 HA VAL A 19 5.334 -2.962 -3.881 1.00 0.00 H new ATOM 0 HB VAL A 19 2.736 -1.762 -4.905 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.161 0.120 -3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.888 -1.406 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.539 -0.767 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.191 0.125 -5.589 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.612 -0.774 -5.005 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.666 -1.399 -6.376 1.00 0.00 H new ATOM 298 N ALA A 20 2.339 -4.317 -3.475 1.00 0.00 N ATOM 299 CA ALA A 20 1.483 -5.026 -2.521 1.00 0.00 C ATOM 300 C ALA A 20 2.148 -6.312 -2.035 1.00 0.00 C ATOM 301 O ALA A 20 2.055 -6.662 -0.856 1.00 0.00 O ATOM 302 CB ALA A 20 0.129 -5.332 -3.142 1.00 0.00 C ATOM 0 H ALA A 20 1.972 -4.287 -4.426 1.00 0.00 H new ATOM 0 HA ALA A 20 1.332 -4.376 -1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.493 -5.859 -2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.359 -4.400 -3.429 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.266 -5.957 -4.025 1.00 0.00 H new ATOM 308 N LEU A 21 2.822 -7.011 -2.954 1.00 0.00 N ATOM 309 CA LEU A 21 3.519 -8.255 -2.625 1.00 0.00 C ATOM 310 C LEU A 21 4.719 -7.977 -1.721 1.00 0.00 C ATOM 311 O LEU A 21 5.027 -8.764 -0.822 1.00 0.00 O ATOM 312 CB LEU A 21 3.977 -8.963 -3.904 1.00 0.00 C ATOM 313 CG LEU A 21 4.118 -10.484 -3.797 1.00 0.00 C ATOM 314 CD1 LEU A 21 2.804 -11.172 -4.140 1.00 0.00 C ATOM 315 CD2 LEU A 21 5.234 -10.981 -4.704 1.00 0.00 C ATOM 0 H LEU A 21 2.899 -6.734 -3.933 1.00 0.00 H new ATOM 0 HA LEU A 21 2.826 -8.905 -2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.267 -8.736 -4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.938 -8.546 -4.206 1.00 0.00 H new ATOM 0 HG LEU A 21 4.374 -10.732 -2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.926 -12.252 -4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.029 -10.841 -3.449 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.515 -10.916 -5.159 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.320 -12.064 -4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.007 -10.719 -5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.176 -10.517 -4.410 1.00 0.00 H new ATOM 327 N GLY A 22 5.388 -6.845 -1.963 1.00 0.00 N ATOM 328 CA GLY A 22 6.543 -6.463 -1.164 1.00 0.00 C ATOM 329 C GLY A 22 6.165 -6.113 0.265 1.00 0.00 C ATOM 330 O GLY A 22 6.763 -6.625 1.213 1.00 0.00 O ATOM 0 H GLY A 22 5.147 -6.185 -2.702 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.264 -7.281 -1.157 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.036 -5.608 -1.627 1.00 0.00 H new ATOM 334 N ILE A 23 5.160 -5.243 0.416 1.00 0.00 N ATOM 335 CA ILE A 23 4.690 -4.827 1.741 1.00 0.00 C ATOM 336 C ILE A 23 4.096 -6.018 2.501 1.00 0.00 C ATOM 337 O ILE A 23 4.331 -6.179 3.702 1.00 0.00 O ATOM 338 CB ILE A 23 3.635 -3.695 1.645 1.00 0.00 C ATOM 339 CG1 ILE A 23 4.175 -2.524 0.815 1.00 0.00 C ATOM 340 CG2 ILE A 23 3.231 -3.214 3.038 1.00 0.00 C ATOM 341 CD1 ILE A 23 3.092 -1.690 0.157 1.00 0.00 C ATOM 0 H ILE A 23 4.658 -4.814 -0.362 1.00 0.00 H new ATOM 0 HA ILE A 23 5.554 -4.445 2.284 1.00 0.00 H new ATOM 0 HB ILE A 23 2.752 -4.095 1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.775 -1.881 1.459 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.840 -2.913 0.044 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.490 -2.420 2.948 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.806 -4.045 3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.109 -2.834 3.560 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.551 -0.881 -0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.506 -2.318 -0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.440 -1.270 0.923 1.00 0.00 H new ATOM 353 N GLY A 24 3.333 -6.851 1.785 1.00 0.00 N ATOM 354 CA GLY A 24 2.724 -8.024 2.392 1.00 0.00 C ATOM 355 C GLY A 24 3.757 -9.019 2.893 1.00 0.00 C ATOM 356 O GLY A 24 3.641 -9.536 4.006 1.00 0.00 O ATOM 0 H GLY A 24 3.128 -6.731 0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.091 -7.713 3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.077 -8.512 1.663 1.00 0.00 H new ATOM 360 N LEU A 25 4.775 -9.275 2.069 1.00 0.00 N ATOM 361 CA LEU A 25 5.848 -10.203 2.428 1.00 0.00 C ATOM 362 C LEU A 25 6.784 -9.581 3.465 1.00 0.00 C ATOM 363 O LEU A 25 7.459 -10.295 4.209 1.00 0.00 O ATOM 364 CB LEU A 25 6.646 -10.608 1.183 1.00 0.00 C ATOM 365 CG LEU A 25 5.924 -11.560 0.222 1.00 0.00 C ATOM 366 CD1 LEU A 25 6.492 -11.427 -1.182 1.00 0.00 C ATOM 367 CD2 LEU A 25 6.037 -13.000 0.705 1.00 0.00 C ATOM 0 H LEU A 25 4.878 -8.851 1.147 1.00 0.00 H new ATOM 0 HA LEU A 25 5.391 -11.092 2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.919 -9.705 0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.575 -11.079 1.505 1.00 0.00 H new ATOM 0 HG LEU A 25 4.869 -11.288 0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.969 -12.109 -1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.361 -10.403 -1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.554 -11.673 -1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.518 -13.659 0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.088 -13.284 0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.586 -13.089 1.693 1.00 0.00 H new ATOM 379 N PHE A 26 6.816 -8.245 3.506 1.00 0.00 N ATOM 380 CA PHE A 26 7.659 -7.517 4.453 1.00 0.00 C ATOM 381 C PHE A 26 7.079 -7.578 5.869 1.00 0.00 C ATOM 382 O PHE A 26 7.821 -7.711 6.845 1.00 0.00 O ATOM 383 CB PHE A 26 7.813 -6.057 4.012 1.00 0.00 C ATOM 384 CG PHE A 26 9.091 -5.416 4.475 1.00 0.00 C ATOM 385 CD1 PHE A 26 10.233 -5.476 3.693 1.00 0.00 C ATOM 386 CD2 PHE A 26 9.151 -4.755 5.691 1.00 0.00 C ATOM 387 CE1 PHE A 26 11.411 -4.887 4.115 1.00 0.00 C ATOM 388 CE2 PHE A 26 10.325 -4.164 6.119 1.00 0.00 C ATOM 389 CZ PHE A 26 11.457 -4.230 5.329 1.00 0.00 C ATOM 0 H PHE A 26 6.265 -7.646 2.891 1.00 0.00 H new ATOM 0 HA PHE A 26 8.640 -7.993 4.465 1.00 0.00 H new ATOM 0 HB2 PHE A 26 7.766 -6.009 2.924 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.970 -5.481 4.393 1.00 0.00 H new ATOM 0 HD1 PHE A 26 10.203 -5.989 2.743 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.269 -4.701 6.312 1.00 0.00 H new ATOM 0 HE1 PHE A 26 12.294 -4.941 3.496 1.00 0.00 H new ATOM 0 HE2 PHE A 26 10.358 -3.652 7.069 1.00 0.00 H new ATOM 0 HZ PHE A 26 12.376 -3.769 5.660 1.00 0.00 H new ATOM 399 N ILE A 27 5.749 -7.481 5.971 1.00 0.00 N ATOM 400 CA ILE A 27 5.070 -7.532 7.269 1.00 0.00 C ATOM 401 C ILE A 27 4.847 -8.979 7.723 1.00 0.00 C ATOM 402 O ILE A 27 4.917 -9.277 8.916 1.00 0.00 O ATOM 403 CB ILE A 27 3.707 -6.792 7.240 1.00 0.00 C ATOM 404 CG1 ILE A 27 3.871 -5.382 6.658 1.00 0.00 C ATOM 405 CG2 ILE A 27 3.106 -6.719 8.642 1.00 0.00 C ATOM 406 CD1 ILE A 27 2.600 -4.816 6.057 1.00 0.00 C ATOM 0 H ILE A 27 5.124 -7.367 5.173 1.00 0.00 H new ATOM 0 HA ILE A 27 5.725 -7.027 7.979 1.00 0.00 H new ATOM 0 HB ILE A 27 3.027 -7.354 6.600 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.219 -4.713 7.445 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.646 -5.403 5.892 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.150 -6.196 8.601 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.952 -7.728 9.025 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.786 -6.180 9.302 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.796 -3.817 5.667 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.261 -5.462 5.247 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.828 -4.761 6.824 1.00 0.00 H new ATOM 418 N ARG A 28 4.584 -9.871 6.762 1.00 0.00 N ATOM 419 CA ARG A 28 4.350 -11.288 7.063 1.00 0.00 C ATOM 420 C ARG A 28 5.594 -11.952 7.657 1.00 0.00 C ATOM 421 O ARG A 28 5.489 -12.931 8.397 1.00 0.00 O ATOM 422 CB ARG A 28 3.918 -12.034 5.799 1.00 0.00 C ATOM 423 CG ARG A 28 2.438 -11.890 5.483 1.00 0.00 C ATOM 424 CD ARG A 28 2.057 -12.646 4.219 1.00 0.00 C ATOM 425 NE ARG A 28 2.516 -11.962 3.008 1.00 0.00 N ATOM 426 CZ ARG A 28 2.306 -12.412 1.770 1.00 0.00 C ATOM 427 NH1 ARG A 28 1.645 -13.547 1.566 1.00 0.00 N ATOM 428 NH2 ARG A 28 2.760 -11.723 0.731 1.00 0.00 N ATOM 0 H ARG A 28 4.528 -9.638 5.771 1.00 0.00 H new ATOM 0 HA ARG A 28 3.553 -11.339 7.805 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.499 -11.666 4.953 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.155 -13.092 5.912 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.849 -12.262 6.321 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.192 -10.835 5.364 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.485 -13.648 4.253 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.974 -12.764 4.180 1.00 0.00 H new ATOM 0 HE ARG A 28 3.028 -11.087 3.118 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.293 -14.082 2.360 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.489 -13.883 0.616 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.268 -10.851 0.880 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.601 -12.065 -0.217 1.00 0.00 H new ATOM 442 N ARG A 29 6.768 -11.408 7.327 1.00 0.00 N ATOM 443 CA ARG A 29 8.037 -11.939 7.829 1.00 0.00 C ATOM 444 C ARG A 29 8.340 -11.421 9.236 1.00 0.00 C ATOM 445 O ARG A 29 9.163 -11.995 9.952 1.00 0.00 O ATOM 446 CB ARG A 29 9.181 -11.565 6.882 1.00 0.00 C ATOM 447 CG ARG A 29 9.213 -12.393 5.607 1.00 0.00 C ATOM 448 CD ARG A 29 10.365 -11.981 4.704 1.00 0.00 C ATOM 449 NE ARG A 29 10.410 -12.774 3.475 1.00 0.00 N ATOM 450 CZ ARG A 29 11.318 -12.608 2.511 1.00 0.00 C ATOM 451 NH1 ARG A 29 12.262 -11.681 2.624 1.00 0.00 N ATOM 452 NH2 ARG A 29 11.279 -13.374 1.430 1.00 0.00 N ATOM 0 H ARG A 29 6.866 -10.599 6.713 1.00 0.00 H new ATOM 0 HA ARG A 29 7.947 -13.024 7.876 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.093 -10.511 6.618 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.129 -11.684 7.406 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.307 -13.449 5.860 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.270 -12.276 5.072 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.267 -10.925 4.451 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.306 -12.094 5.243 1.00 0.00 H new ATOM 0 HE ARG A 29 9.704 -13.499 3.347 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.298 -11.088 3.453 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.951 -11.562 1.882 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.556 -14.088 1.337 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.972 -13.250 0.692 1.00 0.00 H new ATOM 466 N ARG A 30 7.666 -10.335 9.624 1.00 0.00 N ATOM 467 CA ARG A 30 7.857 -9.730 10.943 1.00 0.00 C ATOM 468 C ARG A 30 6.969 -10.390 12.000 1.00 0.00 C ATOM 469 O ARG A 30 7.255 -10.309 13.195 1.00 0.00 O ATOM 470 CB ARG A 30 7.564 -8.229 10.885 1.00 0.00 C ATOM 471 CG ARG A 30 8.664 -7.417 10.220 1.00 0.00 C ATOM 472 CD ARG A 30 8.342 -5.931 10.229 1.00 0.00 C ATOM 473 NE ARG A 30 9.419 -5.134 9.642 1.00 0.00 N ATOM 474 CZ ARG A 30 9.449 -3.800 9.645 1.00 0.00 C ATOM 475 NH1 ARG A 30 8.463 -3.103 10.202 1.00 0.00 N ATOM 476 NH2 ARG A 30 10.468 -3.159 9.088 1.00 0.00 N ATOM 0 H ARG A 30 6.981 -9.856 9.040 1.00 0.00 H new ATOM 0 HA ARG A 30 8.897 -9.887 11.229 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.631 -8.071 10.345 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.413 -7.858 11.899 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.608 -7.589 10.737 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.797 -7.755 9.192 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.419 -5.757 9.676 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.166 -5.604 11.254 1.00 0.00 H new ATOM 0 HE ARG A 30 10.195 -5.629 9.203 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.675 -3.588 10.632 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.495 -2.083 10.200 1.00 0.00 H new ATOM 0 HH21 ARG A 30 11.228 -3.686 8.658 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.491 -2.139 9.090 1.00 0.00 H new ATOM 490 N HIS A 31 5.893 -11.041 11.551 1.00 0.00 N ATOM 491 CA HIS A 31 4.957 -11.713 12.457 1.00 0.00 C ATOM 492 C HIS A 31 5.578 -12.961 13.089 1.00 0.00 C ATOM 493 O HIS A 31 5.224 -13.338 14.208 1.00 0.00 O ATOM 494 CB HIS A 31 3.677 -12.095 11.710 1.00 0.00 C ATOM 495 CG HIS A 31 2.711 -10.961 11.557 1.00 0.00 C ATOM 496 ND1 HIS A 31 2.559 -10.053 10.564 1.00 0.00 N flip ATOM 497 CD2 HIS A 31 1.752 -10.658 12.501 1.00 0.00 C flip ATOM 498 CE1 HIS A 31 1.521 -9.229 10.922 1.00 0.00 C flip ATOM 499 NE2 HIS A 31 1.051 -9.614 12.094 1.00 0.00 N flip ATOM 0 H HIS A 31 5.648 -11.117 10.564 1.00 0.00 H new ATOM 0 HA HIS A 31 4.717 -11.013 13.257 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.942 -12.472 10.722 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.186 -12.910 12.241 1.00 0.00 H new ATOM 0 HD1 HIS A 31 3.113 -9.993 9.709 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.598 -11.191 13.428 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.149 -8.400 10.339 1.00 0.00 H new ATOM 508 N ILE A 32 6.505 -13.593 12.367 1.00 0.00 N ATOM 509 CA ILE A 32 7.179 -14.799 12.856 1.00 0.00 C ATOM 510 C ILE A 32 8.354 -14.441 13.773 1.00 0.00 C ATOM 511 O ILE A 32 8.821 -15.276 14.549 1.00 0.00 O ATOM 512 CB ILE A 32 7.694 -15.682 11.692 1.00 0.00 C ATOM 513 CG1 ILE A 32 6.657 -15.751 10.562 1.00 0.00 C ATOM 514 CG2 ILE A 32 8.023 -17.086 12.191 1.00 0.00 C ATOM 515 CD1 ILE A 32 7.267 -15.807 9.177 1.00 0.00 C ATOM 0 H ILE A 32 6.807 -13.290 11.441 1.00 0.00 H new ATOM 0 HA ILE A 32 6.437 -15.364 13.421 1.00 0.00 H new ATOM 0 HB ILE A 32 8.604 -15.228 11.299 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.031 -16.631 10.709 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.004 -14.881 10.627 1.00 0.00 H new ATOM 0 HG21 ILE A 32 8.383 -17.692 11.360 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.794 -17.028 12.959 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.127 -17.542 12.611 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.473 -15.854 8.431 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.870 -14.915 9.009 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.897 -16.692 9.093 1.00 0.00 H new ATOM 627 N LEU A 38 1.543 -7.617 21.789 1.00 0.00 N ATOM 628 CA LEU A 38 0.912 -6.345 21.441 1.00 0.00 C ATOM 629 C LEU A 38 -0.549 -6.560 21.065 1.00 0.00 C ATOM 630 O LEU A 38 -1.331 -5.617 20.993 1.00 0.00 O ATOM 631 CB LEU A 38 1.667 -5.666 20.288 1.00 0.00 C ATOM 632 CG LEU A 38 2.810 -4.716 20.695 1.00 0.00 C ATOM 633 CD1 LEU A 38 2.288 -3.560 21.541 1.00 0.00 C ATOM 634 CD2 LEU A 38 3.908 -5.470 21.436 1.00 0.00 C ATOM 0 HA LEU A 38 0.953 -5.692 22.312 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.079 -6.442 19.643 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.949 -5.103 19.691 1.00 0.00 H new ATOM 0 HG LEU A 38 3.237 -4.301 19.782 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.116 -2.906 21.814 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.552 -2.995 20.970 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.822 -3.952 22.445 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.703 -4.777 21.712 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.494 -5.924 22.336 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.314 -6.249 20.790 1.00 0.00 H new ATOM 646 N ARG A 39 -0.881 -7.824 20.822 1.00 0.00 N ATOM 647 CA ARG A 39 -2.219 -8.258 20.460 1.00 0.00 C ATOM 648 C ARG A 39 -2.900 -8.762 21.717 1.00 0.00 C ATOM 649 O ARG A 39 -4.110 -8.609 21.899 1.00 0.00 O ATOM 650 CB ARG A 39 -2.159 -9.364 19.403 1.00 0.00 C ATOM 651 CG ARG A 39 -3.356 -9.381 18.466 1.00 0.00 C ATOM 652 CD ARG A 39 -3.199 -10.440 17.387 1.00 0.00 C ATOM 653 NE ARG A 39 -4.338 -10.462 16.468 1.00 0.00 N ATOM 654 CZ ARG A 39 -4.448 -11.296 15.434 1.00 0.00 C ATOM 655 NH1 ARG A 39 -3.493 -12.184 15.177 1.00 0.00 N ATOM 656 NH2 ARG A 39 -5.519 -11.242 14.653 1.00 0.00 N ATOM 0 H ARG A 39 -0.209 -8.590 20.873 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.781 -7.427 20.033 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.250 -9.242 18.814 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.087 -10.329 19.904 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.265 -9.573 19.037 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.472 -8.401 18.003 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.284 -10.252 16.825 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.091 -11.419 17.854 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.095 -9.798 16.629 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.667 -12.231 15.773 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.586 -12.818 14.383 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.256 -10.563 14.844 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.605 -11.879 13.861 1.00 0.00 H new ATOM 670 N ARG A 40 -2.086 -9.374 22.587 1.00 0.00 N ATOM 671 CA ARG A 40 -2.562 -9.879 23.869 1.00 0.00 C ATOM 672 C ARG A 40 -2.776 -8.692 24.794 1.00 0.00 C ATOM 673 O ARG A 40 -3.499 -8.772 25.787 1.00 0.00 O ATOM 674 CB ARG A 40 -1.559 -10.860 24.481 1.00 0.00 C ATOM 675 CG ARG A 40 -1.608 -12.248 23.865 1.00 0.00 C ATOM 676 CD ARG A 40 -0.592 -13.184 24.505 1.00 0.00 C ATOM 677 NE ARG A 40 -1.008 -13.618 25.840 1.00 0.00 N ATOM 678 CZ ARG A 40 -0.298 -14.440 26.613 1.00 0.00 C ATOM 679 NH1 ARG A 40 0.866 -14.924 26.194 1.00 0.00 N ATOM 680 NH2 ARG A 40 -0.754 -14.780 27.811 1.00 0.00 N ATOM 0 H ARG A 40 -1.092 -9.529 22.420 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.497 -10.420 23.726 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.553 -10.456 24.366 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.750 -10.940 25.551 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.609 -12.663 23.982 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.415 -12.178 22.795 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.452 -14.057 23.868 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.372 -12.680 24.572 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.896 -13.270 26.201 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.224 -14.667 25.274 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.402 -15.552 26.792 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.647 -14.413 28.140 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.212 -15.409 28.403 1.00 0.00 H new ATOM 694 N LEU A 41 -2.116 -7.591 24.432 1.00 0.00 N ATOM 695 CA LEU A 41 -2.221 -6.337 25.149 1.00 0.00 C ATOM 696 C LEU A 41 -3.090 -5.372 24.352 1.00 0.00 C ATOM 697 O LEU A 41 -3.658 -4.432 24.911 1.00 0.00 O ATOM 698 CB LEU A 41 -0.838 -5.718 25.384 1.00 0.00 C ATOM 699 CG LEU A 41 -0.142 -6.142 26.683 1.00 0.00 C ATOM 700 CD1 LEU A 41 1.364 -5.965 26.563 1.00 0.00 C ATOM 701 CD2 LEU A 41 -0.676 -5.344 27.866 1.00 0.00 C ATOM 0 H LEU A 41 -1.492 -7.553 23.626 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.675 -6.529 26.121 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.194 -5.979 24.544 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.939 -4.633 25.383 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.356 -7.197 26.855 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.842 -6.271 27.494 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.738 -6.579 25.744 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.593 -4.918 26.365 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.169 -5.661 28.777 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.495 -4.282 27.700 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.747 -5.517 27.968 1.00 0.00 H new ATOM 713 N LEU A 42 -3.193 -5.613 23.032 1.00 0.00 N ATOM 714 CA LEU A 42 -4.013 -4.759 22.163 1.00 0.00 C ATOM 715 C LEU A 42 -5.493 -4.906 22.509 1.00 0.00 C ATOM 716 O LEU A 42 -6.200 -3.911 22.680 1.00 0.00 O ATOM 717 CB LEU A 42 -3.790 -5.100 20.686 1.00 0.00 C ATOM 718 CG LEU A 42 -4.158 -3.992 19.691 1.00 0.00 C ATOM 719 CD1 LEU A 42 -3.180 -3.979 18.525 1.00 0.00 C ATOM 720 CD2 LEU A 42 -5.582 -4.175 19.188 1.00 0.00 C ATOM 0 H LEU A 42 -2.725 -6.382 22.552 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.709 -3.726 22.330 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.740 -5.358 20.545 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.372 -5.990 20.444 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.096 -3.033 20.206 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.455 -3.187 17.828 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.172 -3.800 18.898 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.212 -4.941 18.013 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.824 -3.379 18.483 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.671 -5.140 18.690 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.273 -4.137 20.030 1.00 0.00 H new ATOM 1049 N ILE B 62 -0.017 9.270 -29.224 1.00 0.00 N ATOM 1050 CA ILE B 62 0.463 9.413 -27.851 1.00 0.00 C ATOM 1051 C ILE B 62 1.511 8.347 -27.517 1.00 0.00 C ATOM 1052 O ILE B 62 1.432 7.221 -28.011 1.00 0.00 O ATOM 1053 CB ILE B 62 -0.693 9.336 -26.822 1.00 0.00 C ATOM 1054 CG1 ILE B 62 -1.685 8.214 -27.173 1.00 0.00 C ATOM 1055 CG2 ILE B 62 -1.415 10.671 -26.739 1.00 0.00 C ATOM 1056 CD1 ILE B 62 -1.390 6.903 -26.476 1.00 0.00 C ATOM 0 HA ILE B 62 0.920 10.400 -27.784 1.00 0.00 H new ATOM 0 HB ILE B 62 -0.259 9.105 -25.849 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -2.693 8.536 -26.911 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -1.672 8.053 -28.251 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -2.225 10.602 -26.012 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -0.714 11.445 -26.429 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -1.825 10.924 -27.717 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -2.130 6.159 -26.771 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -0.395 6.557 -26.758 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -1.432 7.047 -25.396 1.00 0.00 H new ATOM 1068 N PRO B 63 2.509 8.691 -26.669 1.00 0.00 N ATOM 1069 CA PRO B 63 3.573 7.753 -26.274 1.00 0.00 C ATOM 1070 C PRO B 63 3.061 6.621 -25.383 1.00 0.00 C ATOM 1071 O PRO B 63 2.210 6.835 -24.517 1.00 0.00 O ATOM 1072 CB PRO B 63 4.559 8.637 -25.502 1.00 0.00 C ATOM 1073 CG PRO B 63 3.757 9.793 -25.015 1.00 0.00 C ATOM 1074 CD PRO B 63 2.684 10.020 -26.042 1.00 0.00 C ATOM 0 HA PRO B 63 4.011 7.253 -27.138 1.00 0.00 H new ATOM 0 HB2 PRO B 63 5.007 8.092 -24.671 1.00 0.00 H new ATOM 0 HB3 PRO B 63 5.375 8.968 -26.144 1.00 0.00 H new ATOM 0 HG2 PRO B 63 3.322 9.581 -24.038 1.00 0.00 H new ATOM 0 HG3 PRO B 63 4.381 10.679 -24.901 1.00 0.00 H new ATOM 0 HD2 PRO B 63 1.759 10.371 -25.584 1.00 0.00 H new ATOM 0 HD3 PRO B 63 2.983 10.771 -26.773 1.00 0.00 H new ATOM 1082 N SER B 64 3.589 5.415 -25.606 1.00 0.00 N ATOM 1083 CA SER B 64 3.194 4.237 -24.832 1.00 0.00 C ATOM 1084 C SER B 64 3.912 4.190 -23.479 1.00 0.00 C ATOM 1085 O SER B 64 3.602 3.349 -22.633 1.00 0.00 O ATOM 1086 CB SER B 64 3.493 2.963 -25.628 1.00 0.00 C ATOM 1087 OG SER B 64 2.912 1.826 -25.010 1.00 0.00 O ATOM 0 H SER B 64 4.294 5.229 -26.319 1.00 0.00 H new ATOM 0 HA SER B 64 2.123 4.303 -24.642 1.00 0.00 H new ATOM 0 HB2 SER B 64 3.108 3.066 -26.643 1.00 0.00 H new ATOM 0 HB3 SER B 64 4.571 2.826 -25.709 1.00 0.00 H new ATOM 0 HG SER B 64 3.116 1.026 -25.538 1.00 0.00 H new ATOM 1093 N ILE B 65 4.870 5.098 -23.285 1.00 0.00 N ATOM 1094 CA ILE B 65 5.637 5.166 -22.039 1.00 0.00 C ATOM 1095 C ILE B 65 4.877 5.949 -20.965 1.00 0.00 C ATOM 1096 O ILE B 65 4.988 5.651 -19.775 1.00 0.00 O ATOM 1097 CB ILE B 65 7.028 5.817 -22.255 1.00 0.00 C ATOM 1098 CG1 ILE B 65 7.688 5.286 -23.534 1.00 0.00 C ATOM 1099 CG2 ILE B 65 7.935 5.562 -21.056 1.00 0.00 C ATOM 1100 CD1 ILE B 65 7.499 6.187 -24.734 1.00 0.00 C ATOM 0 H ILE B 65 5.134 5.799 -23.977 1.00 0.00 H new ATOM 0 HA ILE B 65 5.780 4.139 -21.704 1.00 0.00 H new ATOM 0 HB ILE B 65 6.880 6.892 -22.361 1.00 0.00 H new ATOM 0 HG12 ILE B 65 8.755 5.154 -23.354 1.00 0.00 H new ATOM 0 HG13 ILE B 65 7.279 4.302 -23.762 1.00 0.00 H new ATOM 0 HG21 ILE B 65 8.906 6.027 -21.228 1.00 0.00 H new ATOM 0 HG22 ILE B 65 7.483 5.988 -20.160 1.00 0.00 H new ATOM 0 HG23 ILE B 65 8.066 4.488 -20.921 1.00 0.00 H new ATOM 0 HD11 ILE B 65 7.993 5.747 -25.601 1.00 0.00 H new ATOM 0 HD12 ILE B 65 6.435 6.299 -24.941 1.00 0.00 H new ATOM 0 HD13 ILE B 65 7.933 7.165 -24.527 1.00 0.00 H new ATOM 1112 N ALA B 66 4.103 6.947 -21.397 1.00 0.00 N ATOM 1113 CA ALA B 66 3.322 7.778 -20.480 1.00 0.00 C ATOM 1114 C ALA B 66 1.986 7.126 -20.128 1.00 0.00 C ATOM 1115 O ALA B 66 1.423 7.385 -19.064 1.00 0.00 O ATOM 1116 CB ALA B 66 3.094 9.155 -21.085 1.00 0.00 C ATOM 0 H ALA B 66 4.001 7.199 -22.380 1.00 0.00 H new ATOM 0 HA ALA B 66 3.892 7.882 -19.557 1.00 0.00 H new ATOM 0 HB1 ALA B 66 2.512 9.764 -20.394 1.00 0.00 H new ATOM 0 HB2 ALA B 66 4.055 9.635 -21.270 1.00 0.00 H new ATOM 0 HB3 ALA B 66 2.551 9.054 -22.025 1.00 0.00 H new ATOM 1122 N THR B 67 1.490 6.272 -21.028 1.00 0.00 N ATOM 1123 CA THR B 67 0.216 5.576 -20.828 1.00 0.00 C ATOM 1124 C THR B 67 0.275 4.634 -19.620 1.00 0.00 C ATOM 1125 O THR B 67 -0.725 4.443 -18.925 1.00 0.00 O ATOM 1126 CB THR B 67 -0.184 4.770 -22.082 1.00 0.00 C ATOM 1127 OG1 THR B 67 0.265 5.445 -23.265 1.00 0.00 O ATOM 1128 CG2 THR B 67 -1.694 4.579 -22.153 1.00 0.00 C ATOM 0 H THR B 67 1.955 6.045 -21.907 1.00 0.00 H new ATOM 0 HA THR B 67 -0.536 6.343 -20.641 1.00 0.00 H new ATOM 0 HB THR B 67 0.289 3.790 -22.015 1.00 0.00 H new ATOM 0 HG1 THR B 67 0.008 4.926 -24.055 1.00 0.00 H new ATOM 0 HG21 THR B 67 -1.947 4.008 -23.046 1.00 0.00 H new ATOM 0 HG22 THR B 67 -2.034 4.040 -21.269 1.00 0.00 H new ATOM 0 HG23 THR B 67 -2.182 5.553 -22.194 1.00 0.00 H new ATOM 1136 N GLY B 68 1.449 4.047 -19.384 1.00 0.00 N ATOM 1137 CA GLY B 68 1.625 3.139 -18.257 1.00 0.00 C ATOM 1138 C GLY B 68 1.878 3.878 -16.957 1.00 0.00 C ATOM 1139 O GLY B 68 1.339 3.513 -15.905 1.00 0.00 O ATOM 0 H GLY B 68 2.284 4.184 -19.954 1.00 0.00 H new ATOM 0 HA2 GLY B 68 0.736 2.517 -18.152 1.00 0.00 H new ATOM 0 HA3 GLY B 68 2.460 2.469 -18.460 1.00 0.00 H new ATOM 1143 N LEU B 69 2.694 4.932 -17.036 1.00 0.00 N ATOM 1144 CA LEU B 69 3.037 5.744 -15.871 1.00 0.00 C ATOM 1145 C LEU B 69 1.800 6.415 -15.276 1.00 0.00 C ATOM 1146 O LEU B 69 1.620 6.429 -14.061 1.00 0.00 O ATOM 1147 CB LEU B 69 4.071 6.813 -16.247 1.00 0.00 C ATOM 1148 CG LEU B 69 5.457 6.282 -16.628 1.00 0.00 C ATOM 1149 CD1 LEU B 69 6.197 7.293 -17.490 1.00 0.00 C ATOM 1150 CD2 LEU B 69 6.271 5.955 -15.381 1.00 0.00 C ATOM 0 H LEU B 69 3.131 5.243 -17.903 1.00 0.00 H new ATOM 0 HA LEU B 69 3.462 5.078 -15.121 1.00 0.00 H new ATOM 0 HB2 LEU B 69 3.681 7.394 -17.083 1.00 0.00 H new ATOM 0 HB3 LEU B 69 4.182 7.499 -15.407 1.00 0.00 H new ATOM 0 HG LEU B 69 5.324 5.366 -17.203 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.179 6.899 -17.751 1.00 0.00 H new ATOM 0 HD12 LEU B 69 5.628 7.481 -18.400 1.00 0.00 H new ATOM 0 HD13 LEU B 69 6.315 8.225 -16.937 1.00 0.00 H new ATOM 0 HD21 LEU B 69 7.251 5.580 -15.675 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.393 6.856 -14.779 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.752 5.196 -14.796 1.00 0.00 H new ATOM 1162 N VAL B 70 0.943 6.956 -16.143 1.00 0.00 N ATOM 1163 CA VAL B 70 -0.275 7.636 -15.695 1.00 0.00 C ATOM 1164 C VAL B 70 -1.199 6.694 -14.924 1.00 0.00 C ATOM 1165 O VAL B 70 -1.764 7.067 -13.895 1.00 0.00 O ATOM 1166 CB VAL B 70 -1.041 8.283 -16.877 1.00 0.00 C ATOM 1167 CG1 VAL B 70 -0.227 9.424 -17.472 1.00 0.00 C ATOM 1168 CG2 VAL B 70 -1.389 7.258 -17.954 1.00 0.00 C ATOM 0 H VAL B 70 1.068 6.937 -17.155 1.00 0.00 H new ATOM 0 HA VAL B 70 0.045 8.430 -15.020 1.00 0.00 H new ATOM 0 HB VAL B 70 -1.978 8.680 -16.487 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -0.777 9.869 -18.301 1.00 0.00 H new ATOM 0 HG12 VAL B 70 -0.048 10.180 -16.708 1.00 0.00 H new ATOM 0 HG13 VAL B 70 0.727 9.040 -17.834 1.00 0.00 H new ATOM 0 HG21 VAL B 70 -1.925 7.750 -18.765 1.00 0.00 H new ATOM 0 HG22 VAL B 70 -0.473 6.813 -18.342 1.00 0.00 H new ATOM 0 HG23 VAL B 70 -2.018 6.478 -17.524 1.00 0.00 H new ATOM 1178 N GLY B 71 -1.318 5.464 -15.414 1.00 0.00 N ATOM 1179 CA GLY B 71 -2.169 4.471 -14.773 1.00 0.00 C ATOM 1180 C GLY B 71 -1.649 4.040 -13.413 1.00 0.00 C ATOM 1181 O GLY B 71 -2.399 4.021 -12.434 1.00 0.00 O ATOM 0 H GLY B 71 -0.837 5.133 -16.250 1.00 0.00 H new ATOM 0 HA2 GLY B 71 -3.174 4.879 -14.660 1.00 0.00 H new ATOM 0 HA3 GLY B 71 -2.250 3.597 -15.419 1.00 0.00 H new ATOM 1185 N ALA B 72 -0.357 3.710 -13.351 1.00 0.00 N ATOM 1186 CA ALA B 72 0.258 3.257 -12.103 1.00 0.00 C ATOM 1187 C ALA B 72 0.474 4.390 -11.107 1.00 0.00 C ATOM 1188 O ALA B 72 0.204 4.230 -9.918 1.00 0.00 O ATOM 1189 CB ALA B 72 1.572 2.547 -12.390 1.00 0.00 C ATOM 0 H ALA B 72 0.280 3.748 -14.147 1.00 0.00 H new ATOM 0 HA ALA B 72 -0.439 2.559 -11.641 1.00 0.00 H new ATOM 0 HB1 ALA B 72 2.019 2.215 -11.453 1.00 0.00 H new ATOM 0 HB2 ALA B 72 1.387 1.684 -13.029 1.00 0.00 H new ATOM 0 HB3 ALA B 72 2.253 3.232 -12.894 1.00 0.00 H new ATOM 1195 N LEU B 73 0.962 5.531 -11.590 1.00 0.00 N ATOM 1196 CA LEU B 73 1.210 6.680 -10.723 1.00 0.00 C ATOM 1197 C LEU B 73 -0.096 7.223 -10.144 1.00 0.00 C ATOM 1198 O LEU B 73 -0.151 7.599 -8.970 1.00 0.00 O ATOM 1199 CB LEU B 73 1.965 7.772 -11.489 1.00 0.00 C ATOM 1200 CG LEU B 73 3.493 7.606 -11.525 1.00 0.00 C ATOM 1201 CD1 LEU B 73 3.898 6.383 -12.344 1.00 0.00 C ATOM 1202 CD2 LEU B 73 4.145 8.859 -12.088 1.00 0.00 C ATOM 0 H LEU B 73 1.192 5.684 -12.572 1.00 0.00 H new ATOM 0 HA LEU B 73 1.831 6.352 -9.889 1.00 0.00 H new ATOM 0 HB2 LEU B 73 1.594 7.798 -12.513 1.00 0.00 H new ATOM 0 HB3 LEU B 73 1.730 8.737 -11.040 1.00 0.00 H new ATOM 0 HG LEU B 73 3.840 7.455 -10.503 1.00 0.00 H new ATOM 0 HD11 LEU B 73 4.984 6.293 -12.350 1.00 0.00 H new ATOM 0 HD12 LEU B 73 3.462 5.488 -11.901 1.00 0.00 H new ATOM 0 HD13 LEU B 73 3.537 6.494 -13.366 1.00 0.00 H new ATOM 0 HD21 LEU B 73 5.227 8.728 -12.108 1.00 0.00 H new ATOM 0 HD22 LEU B 73 3.782 9.035 -13.101 1.00 0.00 H new ATOM 0 HD23 LEU B 73 3.894 9.713 -11.459 1.00 0.00 H new ATOM 1214 N LEU B 74 -1.152 7.249 -10.966 1.00 0.00 N ATOM 1215 CA LEU B 74 -2.456 7.728 -10.514 1.00 0.00 C ATOM 1216 C LEU B 74 -3.109 6.723 -9.570 1.00 0.00 C ATOM 1217 O LEU B 74 -3.710 7.105 -8.563 1.00 0.00 O ATOM 1218 CB LEU B 74 -3.380 8.009 -11.706 1.00 0.00 C ATOM 1219 CG LEU B 74 -3.454 9.475 -12.144 1.00 0.00 C ATOM 1220 CD1 LEU B 74 -2.221 9.866 -12.946 1.00 0.00 C ATOM 1221 CD2 LEU B 74 -4.717 9.722 -12.957 1.00 0.00 C ATOM 0 H LEU B 74 -1.126 6.946 -11.940 1.00 0.00 H new ATOM 0 HA LEU B 74 -2.296 8.660 -9.972 1.00 0.00 H new ATOM 0 HB2 LEU B 74 -3.046 7.410 -12.553 1.00 0.00 H new ATOM 0 HB3 LEU B 74 -4.385 7.671 -11.453 1.00 0.00 H new ATOM 0 HG LEU B 74 -3.487 10.096 -11.249 1.00 0.00 H new ATOM 0 HD11 LEU B 74 -2.298 10.911 -13.245 1.00 0.00 H new ATOM 0 HD12 LEU B 74 -1.330 9.728 -12.334 1.00 0.00 H new ATOM 0 HD13 LEU B 74 -2.151 9.239 -13.835 1.00 0.00 H new ATOM 0 HD21 LEU B 74 -4.755 10.768 -13.261 1.00 0.00 H new ATOM 0 HD22 LEU B 74 -4.710 9.087 -13.843 1.00 0.00 H new ATOM 0 HD23 LEU B 74 -5.592 9.488 -12.350 1.00 0.00 H new ATOM 1233 N LEU B 75 -2.966 5.434 -9.886 1.00 0.00 N ATOM 1234 CA LEU B 75 -3.536 4.375 -9.053 1.00 0.00 C ATOM 1235 C LEU B 75 -2.786 4.272 -7.729 1.00 0.00 C ATOM 1236 O LEU B 75 -3.390 4.062 -6.676 1.00 0.00 O ATOM 1237 CB LEU B 75 -3.504 3.029 -9.785 1.00 0.00 C ATOM 1238 CG LEU B 75 -4.869 2.496 -10.232 1.00 0.00 C ATOM 1239 CD1 LEU B 75 -5.139 2.864 -11.682 1.00 0.00 C ATOM 1240 CD2 LEU B 75 -4.944 0.988 -10.039 1.00 0.00 C ATOM 0 H LEU B 75 -2.463 5.100 -10.708 1.00 0.00 H new ATOM 0 HA LEU B 75 -4.575 4.631 -8.847 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -2.865 3.126 -10.663 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -3.039 2.290 -9.132 1.00 0.00 H new ATOM 0 HG LEU B 75 -5.637 2.959 -9.613 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -6.113 2.476 -11.980 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -5.132 3.949 -11.790 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -4.366 2.431 -12.317 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -5.921 0.628 -10.362 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -4.166 0.506 -10.631 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -4.799 0.748 -8.986 1.00 0.00 H new ATOM 1252 N LEU B 76 -1.463 4.441 -7.791 1.00 0.00 N ATOM 1253 CA LEU B 76 -0.615 4.383 -6.601 1.00 0.00 C ATOM 1254 C LEU B 76 -0.845 5.608 -5.718 1.00 0.00 C ATOM 1255 O LEU B 76 -0.785 5.516 -4.492 1.00 0.00 O ATOM 1256 CB LEU B 76 0.862 4.298 -7.000 1.00 0.00 C ATOM 1257 CG LEU B 76 1.765 3.554 -6.010 1.00 0.00 C ATOM 1258 CD1 LEU B 76 1.765 2.060 -6.300 1.00 0.00 C ATOM 1259 CD2 LEU B 76 3.180 4.109 -6.064 1.00 0.00 C ATOM 0 H LEU B 76 -0.955 4.620 -8.657 1.00 0.00 H new ATOM 0 HA LEU B 76 -0.881 3.489 -6.037 1.00 0.00 H new ATOM 0 HB2 LEU B 76 0.932 3.806 -7.970 1.00 0.00 H new ATOM 0 HB3 LEU B 76 1.246 5.310 -7.127 1.00 0.00 H new ATOM 0 HG LEU B 76 1.372 3.705 -5.005 1.00 0.00 H new ATOM 0 HD11 LEU B 76 2.412 1.551 -5.586 1.00 0.00 H new ATOM 0 HD12 LEU B 76 0.750 1.672 -6.211 1.00 0.00 H new ATOM 0 HD13 LEU B 76 2.133 1.886 -7.311 1.00 0.00 H new ATOM 0 HD21 LEU B 76 3.809 3.571 -5.355 1.00 0.00 H new ATOM 0 HD22 LEU B 76 3.580 3.987 -7.070 1.00 0.00 H new ATOM 0 HD23 LEU B 76 3.166 5.168 -5.805 1.00 0.00 H new ATOM 1271 N LEU B 77 -1.111 6.752 -6.356 1.00 0.00 N ATOM 1272 CA LEU B 77 -1.360 8.002 -5.638 1.00 0.00 C ATOM 1273 C LEU B 77 -2.695 7.952 -4.886 1.00 0.00 C ATOM 1274 O LEU B 77 -2.774 8.358 -3.725 1.00 0.00 O ATOM 1275 CB LEU B 77 -1.349 9.184 -6.615 1.00 0.00 C ATOM 1276 CG LEU B 77 -1.016 10.545 -5.994 1.00 0.00 C ATOM 1277 CD1 LEU B 77 0.489 10.775 -5.974 1.00 0.00 C ATOM 1278 CD2 LEU B 77 -1.717 11.661 -6.753 1.00 0.00 C ATOM 0 H LEU B 77 -1.159 6.836 -7.371 1.00 0.00 H new ATOM 0 HA LEU B 77 -0.564 8.136 -4.906 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -0.625 8.976 -7.403 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -2.328 9.250 -7.091 1.00 0.00 H new ATOM 0 HG LEU B 77 -1.374 10.549 -4.965 1.00 0.00 H new ATOM 0 HD11 LEU B 77 0.703 11.747 -5.529 1.00 0.00 H new ATOM 0 HD12 LEU B 77 0.969 9.993 -5.385 1.00 0.00 H new ATOM 0 HD13 LEU B 77 0.874 10.750 -6.993 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -1.470 12.621 -6.299 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -1.389 11.656 -7.792 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -2.795 11.507 -6.712 1.00 0.00 H new ATOM 1290 N VAL B 78 -3.737 7.443 -5.555 1.00 0.00 N ATOM 1291 CA VAL B 78 -5.069 7.339 -4.948 1.00 0.00 C ATOM 1292 C VAL B 78 -5.093 6.284 -3.836 1.00 0.00 C ATOM 1293 O VAL B 78 -5.652 6.517 -2.762 1.00 0.00 O ATOM 1294 CB VAL B 78 -6.154 7.001 -6.004 1.00 0.00 C ATOM 1295 CG1 VAL B 78 -7.537 6.921 -5.366 1.00 0.00 C ATOM 1296 CG2 VAL B 78 -6.153 8.029 -7.127 1.00 0.00 C ATOM 0 H VAL B 78 -3.684 7.098 -6.513 1.00 0.00 H new ATOM 0 HA VAL B 78 -5.294 8.315 -4.517 1.00 0.00 H new ATOM 0 HB VAL B 78 -5.914 6.024 -6.424 1.00 0.00 H new ATOM 0 HG11 VAL B 78 -8.277 6.683 -6.130 1.00 0.00 H new ATOM 0 HG12 VAL B 78 -7.541 6.143 -4.602 1.00 0.00 H new ATOM 0 HG13 VAL B 78 -7.783 7.880 -4.909 1.00 0.00 H new ATOM 0 HG21 VAL B 78 -6.922 7.772 -7.856 1.00 0.00 H new ATOM 0 HG22 VAL B 78 -6.359 9.017 -6.716 1.00 0.00 H new ATOM 0 HG23 VAL B 78 -5.178 8.035 -7.614 1.00 0.00 H new ATOM 1306 N VAL B 79 -4.475 5.128 -4.098 1.00 0.00 N ATOM 1307 CA VAL B 79 -4.424 4.036 -3.119 1.00 0.00 C ATOM 1308 C VAL B 79 -3.585 4.431 -1.897 1.00 0.00 C ATOM 1309 O VAL B 79 -3.979 4.173 -0.756 1.00 0.00 O ATOM 1310 CB VAL B 79 -3.863 2.735 -3.750 1.00 0.00 C ATOM 1311 CG1 VAL B 79 -3.667 1.649 -2.700 1.00 0.00 C ATOM 1312 CG2 VAL B 79 -4.787 2.236 -4.854 1.00 0.00 C ATOM 0 H VAL B 79 -4.003 4.924 -4.979 1.00 0.00 H new ATOM 0 HA VAL B 79 -5.447 3.845 -2.794 1.00 0.00 H new ATOM 0 HB VAL B 79 -2.889 2.969 -4.181 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -3.273 0.751 -3.175 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -2.964 1.997 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -4.623 1.421 -2.230 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -4.378 1.323 -5.286 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -5.773 2.031 -4.438 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -4.872 2.997 -5.629 1.00 0.00 H new ATOM 1322 N ALA B 80 -2.434 5.065 -2.145 1.00 0.00 N ATOM 1323 CA ALA B 80 -1.544 5.503 -1.068 1.00 0.00 C ATOM 1324 C ALA B 80 -2.186 6.616 -0.240 1.00 0.00 C ATOM 1325 O ALA B 80 -2.054 6.645 0.985 1.00 0.00 O ATOM 1326 CB ALA B 80 -0.210 5.967 -1.633 1.00 0.00 C ATOM 0 H ALA B 80 -2.098 5.286 -3.083 1.00 0.00 H new ATOM 0 HA ALA B 80 -1.369 4.651 -0.412 1.00 0.00 H new ATOM 0 HB1 ALA B 80 0.438 6.289 -0.818 1.00 0.00 H new ATOM 0 HB2 ALA B 80 0.263 5.145 -2.170 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -0.374 6.800 -2.316 1.00 0.00 H new ATOM 1332 N LEU B 81 -2.888 7.527 -0.923 1.00 0.00 N ATOM 1333 CA LEU B 81 -3.567 8.638 -0.258 1.00 0.00 C ATOM 1334 C LEU B 81 -4.739 8.129 0.584 1.00 0.00 C ATOM 1335 O LEU B 81 -5.013 8.652 1.666 1.00 0.00 O ATOM 1336 CB LEU B 81 -4.066 9.654 -1.291 1.00 0.00 C ATOM 1337 CG LEU B 81 -4.196 11.094 -0.785 1.00 0.00 C ATOM 1338 CD1 LEU B 81 -2.891 11.853 -0.979 1.00 0.00 C ATOM 1339 CD2 LEU B 81 -5.339 11.805 -1.494 1.00 0.00 C ATOM 0 H LEU B 81 -2.999 7.514 -1.937 1.00 0.00 H new ATOM 0 HA LEU B 81 -2.851 9.128 0.402 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -3.385 9.646 -2.142 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -5.039 9.326 -1.658 1.00 0.00 H new ATOM 0 HG LEU B 81 -4.417 11.064 0.282 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -3.006 12.873 -0.613 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -2.095 11.356 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -2.636 11.874 -2.039 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -5.418 12.827 -1.123 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -5.147 11.822 -2.567 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.272 11.276 -1.301 1.00 0.00 H new ATOM 1351 N GLY B 82 -5.420 7.097 0.076 1.00 0.00 N ATOM 1352 CA GLY B 82 -6.548 6.513 0.786 1.00 0.00 C ATOM 1353 C GLY B 82 -6.126 5.803 2.059 1.00 0.00 C ATOM 1354 O GLY B 82 -6.689 6.047 3.129 1.00 0.00 O ATOM 0 H GLY B 82 -5.207 6.656 -0.819 1.00 0.00 H new ATOM 0 HA2 GLY B 82 -7.265 7.297 1.031 1.00 0.00 H new ATOM 0 HA3 GLY B 82 -7.059 5.807 0.132 1.00 0.00 H new ATOM 1358 N ILE B 83 -5.121 4.930 1.944 1.00 0.00 N ATOM 1359 CA ILE B 83 -4.608 4.183 3.097 1.00 0.00 C ATOM 1360 C ILE B 83 -3.983 5.137 4.122 1.00 0.00 C ATOM 1361 O ILE B 83 -4.178 4.978 5.330 1.00 0.00 O ATOM 1362 CB ILE B 83 -3.560 3.120 2.674 1.00 0.00 C ATOM 1363 CG1 ILE B 83 -4.134 2.205 1.585 1.00 0.00 C ATOM 1364 CG2 ILE B 83 -3.114 2.294 3.878 1.00 0.00 C ATOM 1365 CD1 ILE B 83 -3.079 1.576 0.698 1.00 0.00 C ATOM 0 H ILE B 83 -4.647 4.723 1.065 1.00 0.00 H new ATOM 0 HA ILE B 83 -5.456 3.667 3.548 1.00 0.00 H new ATOM 0 HB ILE B 83 -2.691 3.639 2.271 1.00 0.00 H new ATOM 0 HG12 ILE B 83 -4.717 1.414 2.058 1.00 0.00 H new ATOM 0 HG13 ILE B 83 -4.821 2.780 0.965 1.00 0.00 H new ATOM 0 HG21 ILE B 83 -2.379 1.554 3.560 1.00 0.00 H new ATOM 0 HG22 ILE B 83 -2.668 2.951 4.625 1.00 0.00 H new ATOM 0 HG23 ILE B 83 -3.976 1.786 4.310 1.00 0.00 H new ATOM 0 HD11 ILE B 83 -3.561 0.943 -0.047 1.00 0.00 H new ATOM 0 HD12 ILE B 83 -2.511 2.360 0.196 1.00 0.00 H new ATOM 0 HD13 ILE B 83 -2.405 0.972 1.306 1.00 0.00 H new ATOM 1377 N GLY B 84 -3.242 6.131 3.624 1.00 0.00 N ATOM 1378 CA GLY B 84 -2.606 7.107 4.497 1.00 0.00 C ATOM 1379 C GLY B 84 -3.618 7.932 5.274 1.00 0.00 C ATOM 1380 O GLY B 84 -3.462 8.141 6.479 1.00 0.00 O ATOM 0 H GLY B 84 -3.072 6.276 2.629 1.00 0.00 H new ATOM 0 HA2 GLY B 84 -1.948 6.591 5.196 1.00 0.00 H new ATOM 0 HA3 GLY B 84 -1.980 7.771 3.901 1.00 0.00 H new ATOM 1384 N LEU B 85 -4.662 8.391 4.580 1.00 0.00 N ATOM 1385 CA LEU B 85 -5.718 9.187 5.204 1.00 0.00 C ATOM 1386 C LEU B 85 -6.622 8.313 6.074 1.00 0.00 C ATOM 1387 O LEU B 85 -7.269 8.804 7.001 1.00 0.00 O ATOM 1388 CB LEU B 85 -6.555 9.900 4.136 1.00 0.00 C ATOM 1389 CG LEU B 85 -5.863 11.073 3.433 1.00 0.00 C ATOM 1390 CD1 LEU B 85 -6.478 11.309 2.063 1.00 0.00 C ATOM 1391 CD2 LEU B 85 -5.953 12.336 4.280 1.00 0.00 C ATOM 0 H LEU B 85 -4.798 8.224 3.583 1.00 0.00 H new ATOM 0 HA LEU B 85 -5.242 9.933 5.840 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -6.850 9.170 3.382 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -7.471 10.266 4.601 1.00 0.00 H new ATOM 0 HG LEU B 85 -4.811 10.821 3.303 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -5.975 12.145 1.578 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -6.363 10.413 1.453 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -7.538 11.538 2.175 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -5.456 13.157 3.763 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -7.000 12.591 4.443 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -5.468 12.165 5.241 1.00 0.00 H new ATOM 1403 N PHE B 86 -6.658 7.012 5.765 1.00 0.00 N ATOM 1404 CA PHE B 86 -7.472 6.057 6.517 1.00 0.00 C ATOM 1405 C PHE B 86 -6.845 5.750 7.879 1.00 0.00 C ATOM 1406 O PHE B 86 -7.553 5.618 8.878 1.00 0.00 O ATOM 1407 CB PHE B 86 -7.647 4.763 5.716 1.00 0.00 C ATOM 1408 CG PHE B 86 -8.913 4.018 6.037 1.00 0.00 C ATOM 1409 CD1 PHE B 86 -10.080 4.275 5.336 1.00 0.00 C ATOM 1410 CD2 PHE B 86 -8.934 3.061 7.038 1.00 0.00 C ATOM 1411 CE1 PHE B 86 -11.245 3.591 5.628 1.00 0.00 C ATOM 1412 CE2 PHE B 86 -10.096 2.375 7.336 1.00 0.00 C ATOM 1413 CZ PHE B 86 -11.253 2.639 6.629 1.00 0.00 C ATOM 0 H PHE B 86 -6.130 6.598 4.997 1.00 0.00 H new ATOM 0 HA PHE B 86 -8.450 6.508 6.686 1.00 0.00 H new ATOM 0 HB2 PHE B 86 -7.636 5.001 4.652 1.00 0.00 H new ATOM 0 HB3 PHE B 86 -6.794 4.111 5.906 1.00 0.00 H new ATOM 0 HD1 PHE B 86 -10.079 5.018 4.552 1.00 0.00 H new ATOM 0 HD2 PHE B 86 -8.032 2.848 7.592 1.00 0.00 H new ATOM 0 HE1 PHE B 86 -12.148 3.801 5.074 1.00 0.00 H new ATOM 0 HE2 PHE B 86 -10.100 1.633 8.121 1.00 0.00 H new ATOM 0 HZ PHE B 86 -12.162 2.102 6.858 1.00 0.00 H new ATOM 1423 N ILE B 87 -5.513 5.635 7.909 1.00 0.00 N ATOM 1424 CA ILE B 87 -4.790 5.348 9.150 1.00 0.00 C ATOM 1425 C ILE B 87 -4.546 6.626 9.959 1.00 0.00 C ATOM 1426 O ILE B 87 -4.576 6.602 11.190 1.00 0.00 O ATOM 1427 CB ILE B 87 -3.433 4.647 8.883 1.00 0.00 C ATOM 1428 CG1 ILE B 87 -3.623 3.437 7.959 1.00 0.00 C ATOM 1429 CG2 ILE B 87 -2.786 4.213 10.196 1.00 0.00 C ATOM 1430 CD1 ILE B 87 -2.375 3.053 7.188 1.00 0.00 C ATOM 0 H ILE B 87 -4.915 5.736 7.089 1.00 0.00 H new ATOM 0 HA ILE B 87 -5.423 4.672 9.725 1.00 0.00 H new ATOM 0 HB ILE B 87 -2.772 5.360 8.389 1.00 0.00 H new ATOM 0 HG12 ILE B 87 -3.947 2.584 8.555 1.00 0.00 H new ATOM 0 HG13 ILE B 87 -4.423 3.654 7.252 1.00 0.00 H new ATOM 0 HG21 ILE B 87 -1.835 3.723 9.988 1.00 0.00 H new ATOM 0 HG22 ILE B 87 -2.614 5.088 10.824 1.00 0.00 H new ATOM 0 HG23 ILE B 87 -3.446 3.518 10.715 1.00 0.00 H new ATOM 0 HD11 ILE B 87 -2.588 2.190 6.557 1.00 0.00 H new ATOM 0 HD12 ILE B 87 -2.061 3.890 6.564 1.00 0.00 H new ATOM 0 HD13 ILE B 87 -1.578 2.803 7.888 1.00 0.00 H new ATOM 1442 N ARG B 88 -4.311 7.741 9.257 1.00 0.00 N ATOM 1443 CA ARG B 88 -4.061 9.029 9.908 1.00 0.00 C ATOM 1444 C ARG B 88 -5.282 9.509 10.697 1.00 0.00 C ATOM 1445 O ARG B 88 -5.148 10.263 11.664 1.00 0.00 O ATOM 1446 CB ARG B 88 -3.668 10.083 8.871 1.00 0.00 C ATOM 1447 CG ARG B 88 -2.200 10.032 8.479 1.00 0.00 C ATOM 1448 CD ARG B 88 -1.859 11.094 7.444 1.00 0.00 C ATOM 1449 NE ARG B 88 -2.362 10.749 6.113 1.00 0.00 N ATOM 1450 CZ ARG B 88 -2.190 11.508 5.029 1.00 0.00 C ATOM 1451 NH1 ARG B 88 -1.532 12.658 5.107 1.00 0.00 N ATOM 1452 NH2 ARG B 88 -2.681 11.112 3.863 1.00 0.00 N ATOM 0 H ARG B 88 -4.289 7.775 8.238 1.00 0.00 H new ATOM 0 HA ARG B 88 -3.239 8.887 10.609 1.00 0.00 H new ATOM 0 HB2 ARG B 88 -4.279 9.948 7.978 1.00 0.00 H new ATOM 0 HB3 ARG B 88 -3.896 11.073 9.267 1.00 0.00 H new ATOM 0 HG2 ARG B 88 -1.581 10.175 9.365 1.00 0.00 H new ATOM 0 HG3 ARG B 88 -1.963 9.045 8.080 1.00 0.00 H new ATOM 0 HD2 ARG B 88 -2.281 12.050 7.754 1.00 0.00 H new ATOM 0 HD3 ARG B 88 -0.777 11.222 7.400 1.00 0.00 H new ATOM 0 HE ARG B 88 -2.876 9.874 6.008 1.00 0.00 H new ATOM 0 HH11 ARG B 88 -1.152 12.969 6.001 1.00 0.00 H new ATOM 0 HH12 ARG B 88 -1.406 13.231 4.273 1.00 0.00 H new ATOM 0 HH21 ARG B 88 -3.188 10.230 3.796 1.00 0.00 H new ATOM 0 HH22 ARG B 88 -2.551 11.690 3.032 1.00 0.00 H new ATOM 1466 N ARG B 89 -6.468 9.065 10.277 1.00 0.00 N ATOM 1467 CA ARG B 89 -7.719 9.441 10.942 1.00 0.00 C ATOM 1468 C ARG B 89 -7.975 8.573 12.174 1.00 0.00 C ATOM 1469 O ARG B 89 -8.773 8.936 13.042 1.00 0.00 O ATOM 1470 CB ARG B 89 -8.895 9.323 9.968 1.00 0.00 C ATOM 1471 CG ARG B 89 -8.966 10.456 8.956 1.00 0.00 C ATOM 1472 CD ARG B 89 -10.149 10.289 8.017 1.00 0.00 C ATOM 1473 NE ARG B 89 -10.231 11.374 7.039 1.00 0.00 N ATOM 1474 CZ ARG B 89 -11.170 11.462 6.096 1.00 0.00 C ATOM 1475 NH1 ARG B 89 -12.115 10.534 5.994 1.00 0.00 N ATOM 1476 NH2 ARG B 89 -11.165 12.486 5.252 1.00 0.00 N ATOM 0 H ARG B 89 -6.590 8.443 9.478 1.00 0.00 H new ATOM 0 HA ARG B 89 -7.625 10.477 11.268 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -8.820 8.375 9.435 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -9.825 9.296 10.536 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -9.047 11.409 9.480 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -8.043 10.488 8.378 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -10.065 9.336 7.495 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -11.071 10.254 8.598 1.00 0.00 H new ATOM 0 HE ARG B 89 -9.526 12.110 7.081 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -12.127 9.745 6.640 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -12.829 10.610 5.269 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -10.444 13.204 5.325 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -11.882 12.555 4.530 1.00 0.00 H new ATOM 1490 N ARG B 90 -7.295 7.427 12.241 1.00 0.00 N ATOM 1491 CA ARG B 90 -7.444 6.496 13.361 1.00 0.00 C ATOM 1492 C ARG B 90 -6.519 6.861 14.524 1.00 0.00 C ATOM 1493 O ARG B 90 -6.765 6.469 15.666 1.00 0.00 O ATOM 1494 CB ARG B 90 -7.160 5.065 12.903 1.00 0.00 C ATOM 1495 CG ARG B 90 -8.285 4.448 12.087 1.00 0.00 C ATOM 1496 CD ARG B 90 -7.969 3.014 11.696 1.00 0.00 C ATOM 1497 NE ARG B 90 -9.068 2.392 10.958 1.00 0.00 N ATOM 1498 CZ ARG B 90 -9.103 1.104 10.613 1.00 0.00 C ATOM 1499 NH1 ARG B 90 -8.103 0.290 10.936 1.00 0.00 N ATOM 1500 NH2 ARG B 90 -10.143 0.627 9.943 1.00 0.00 N ATOM 0 H ARG B 90 -6.632 7.120 11.529 1.00 0.00 H new ATOM 0 HA ARG B 90 -8.473 6.567 13.712 1.00 0.00 H new ATOM 0 HB2 ARG B 90 -6.246 5.058 12.309 1.00 0.00 H new ATOM 0 HB3 ARG B 90 -6.975 4.443 13.779 1.00 0.00 H new ATOM 0 HG2 ARG B 90 -9.210 4.474 12.663 1.00 0.00 H new ATOM 0 HG3 ARG B 90 -8.453 5.042 11.189 1.00 0.00 H new ATOM 0 HD2 ARG B 90 -7.066 2.995 11.086 1.00 0.00 H new ATOM 0 HD3 ARG B 90 -7.759 2.431 12.593 1.00 0.00 H new ATOM 0 HE ARG B 90 -9.857 2.980 10.690 1.00 0.00 H new ATOM 0 HH11 ARG B 90 -7.300 0.649 11.452 1.00 0.00 H new ATOM 0 HH12 ARG B 90 -8.139 -0.693 10.668 1.00 0.00 H new ATOM 0 HH21 ARG B 90 -10.915 1.245 9.692 1.00 0.00 H new ATOM 0 HH22 ARG B 90 -10.171 -0.358 9.678 1.00 0.00 H new ATOM 1514 N HIS B 91 -5.455 7.611 14.225 1.00 0.00 N ATOM 1515 CA HIS B 91 -4.486 8.027 15.244 1.00 0.00 C ATOM 1516 C HIS B 91 -5.081 9.063 16.201 1.00 0.00 C ATOM 1517 O HIS B 91 -4.687 9.138 17.367 1.00 0.00 O ATOM 1518 CB HIS B 91 -3.231 8.597 14.580 1.00 0.00 C ATOM 1519 CG HIS B 91 -2.275 7.547 14.105 1.00 0.00 C ATOM 1520 ND1 HIS B 91 -2.159 6.931 12.904 1.00 0.00 N flip ATOM 1521 CD2 HIS B 91 -1.286 7.011 14.903 1.00 0.00 C flip ATOM 1522 CE1 HIS B 91 -1.115 6.046 13.000 1.00 0.00 C flip ATOM 1523 NE2 HIS B 91 -0.604 6.114 14.214 1.00 0.00 N flip ATOM 0 H HIS B 91 -5.242 7.943 13.284 1.00 0.00 H new ATOM 0 HA HIS B 91 -4.222 7.144 15.825 1.00 0.00 H new ATOM 0 HB2 HIS B 91 -3.527 9.216 13.733 1.00 0.00 H new ATOM 0 HB3 HIS B 91 -2.719 9.249 15.288 1.00 0.00 H new ATOM 0 HD1 HIS B 91 -2.740 7.095 12.082 1.00 0.00 H new ATOM 0 HD2 HIS B 91 -1.098 7.283 15.931 1.00 0.00 H new ATOM 0 HE1 HIS B 91 -0.768 5.398 12.209 1.00 0.00 H new ATOM 1532 N ILE B 92 -6.028 9.859 15.699 1.00 0.00 N ATOM 1533 CA ILE B 92 -6.680 10.891 16.509 1.00 0.00 C ATOM 1534 C ILE B 92 -7.825 10.301 17.339 1.00 0.00 C ATOM 1535 O ILE B 92 -8.263 10.903 18.322 1.00 0.00 O ATOM 1536 CB ILE B 92 -7.230 12.047 15.634 1.00 0.00 C ATOM 1537 CG1 ILE B 92 -6.230 12.412 14.527 1.00 0.00 C ATOM 1538 CG2 ILE B 92 -7.535 13.270 16.493 1.00 0.00 C ATOM 1539 CD1 ILE B 92 -6.886 12.825 13.227 1.00 0.00 C ATOM 0 H ILE B 92 -6.360 9.809 14.736 1.00 0.00 H new ATOM 0 HA ILE B 92 -5.917 11.290 17.177 1.00 0.00 H new ATOM 0 HB ILE B 92 -8.155 11.709 15.167 1.00 0.00 H new ATOM 0 HG12 ILE B 92 -5.594 13.225 14.877 1.00 0.00 H new ATOM 0 HG13 ILE B 92 -5.580 11.557 14.340 1.00 0.00 H new ATOM 0 HG21 ILE B 92 -7.920 14.071 15.862 1.00 0.00 H new ATOM 0 HG22 ILE B 92 -8.280 13.010 17.245 1.00 0.00 H new ATOM 0 HG23 ILE B 92 -6.623 13.604 16.987 1.00 0.00 H new ATOM 0 HD11 ILE B 92 -6.118 13.068 12.493 1.00 0.00 H new ATOM 0 HD12 ILE B 92 -7.499 12.005 12.853 1.00 0.00 H new ATOM 0 HD13 ILE B 92 -7.514 13.699 13.398 1.00 0.00 H new ATOM 1651 N LEU B 98 -0.781 1.650 23.062 1.00 0.00 N ATOM 1652 CA LEU B 98 -0.167 0.515 22.373 1.00 0.00 C ATOM 1653 C LEU B 98 1.282 0.829 22.018 1.00 0.00 C ATOM 1654 O LEU B 98 2.057 -0.060 21.675 1.00 0.00 O ATOM 1655 CB LEU B 98 -0.963 0.157 21.107 1.00 0.00 C ATOM 1656 CG LEU B 98 -2.095 -0.869 21.290 1.00 0.00 C ATOM 1657 CD1 LEU B 98 -1.551 -2.205 21.787 1.00 0.00 C ATOM 1658 CD2 LEU B 98 -3.164 -0.341 22.240 1.00 0.00 C ATOM 0 HA LEU B 98 -0.182 -0.344 23.044 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -1.392 1.073 20.700 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -0.268 -0.228 20.361 1.00 0.00 H new ATOM 0 HG LEU B 98 -2.554 -1.031 20.315 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -2.373 -2.911 21.907 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -0.837 -2.599 21.063 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -1.053 -2.061 22.746 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -3.952 -1.086 22.351 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -2.717 -0.137 23.213 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -3.588 0.578 21.836 1.00 0.00 H new ATOM 1670 N ARG B 99 1.610 2.114 22.102 1.00 0.00 N ATOM 1671 CA ARG B 99 2.939 2.633 21.822 1.00 0.00 C ATOM 1672 C ARG B 99 3.664 2.794 23.143 1.00 0.00 C ATOM 1673 O ARG B 99 4.878 2.603 23.238 1.00 0.00 O ATOM 1674 CB ARG B 99 2.847 3.976 21.093 1.00 0.00 C ATOM 1675 CG ARG B 99 4.014 4.244 20.153 1.00 0.00 C ATOM 1676 CD ARG B 99 3.824 5.547 19.395 1.00 0.00 C ATOM 1677 NE ARG B 99 4.932 5.813 18.476 1.00 0.00 N ATOM 1678 CZ ARG B 99 5.011 6.890 17.692 1.00 0.00 C ATOM 1679 NH1 ARG B 99 4.053 7.810 17.709 1.00 0.00 N ATOM 1680 NH2 ARG B 99 6.054 7.046 16.889 1.00 0.00 N ATOM 0 H ARG B 99 0.943 2.837 22.373 1.00 0.00 H new ATOM 0 HA ARG B 99 3.484 1.945 21.176 1.00 0.00 H new ATOM 0 HB2 ARG B 99 1.918 4.007 20.523 1.00 0.00 H new ATOM 0 HB3 ARG B 99 2.795 4.777 21.831 1.00 0.00 H new ATOM 0 HG2 ARG B 99 4.942 4.285 20.724 1.00 0.00 H new ATOM 0 HG3 ARG B 99 4.111 3.420 19.446 1.00 0.00 H new ATOM 0 HD2 ARG B 99 2.890 5.508 18.835 1.00 0.00 H new ATOM 0 HD3 ARG B 99 3.736 6.370 20.105 1.00 0.00 H new ATOM 0 HE ARG B 99 5.691 5.133 18.432 1.00 0.00 H new ATOM 0 HH11 ARG B 99 3.248 7.697 18.325 1.00 0.00 H new ATOM 0 HH12 ARG B 99 4.122 8.630 17.106 1.00 0.00 H new ATOM 0 HH21 ARG B 99 6.794 6.344 16.871 1.00 0.00 H new ATOM 0 HH22 ARG B 99 6.117 7.868 16.289 1.00 0.00 H new ATOM 1694 N ARG B 100 2.881 3.155 24.169 1.00 0.00 N ATOM 1695 CA ARG B 100 3.403 3.308 25.522 1.00 0.00 C ATOM 1696 C ARG B 100 3.643 1.921 26.096 1.00 0.00 C ATOM 1697 O ARG B 100 4.396 1.741 27.051 1.00 0.00 O ATOM 1698 CB ARG B 100 2.424 4.088 26.403 1.00 0.00 C ATOM 1699 CG ARG B 100 2.459 5.591 26.168 1.00 0.00 C ATOM 1700 CD ARG B 100 1.470 6.323 27.064 1.00 0.00 C ATOM 1701 NE ARG B 100 1.932 6.395 28.452 1.00 0.00 N ATOM 1702 CZ ARG B 100 1.252 6.983 29.437 1.00 0.00 C ATOM 1703 NH1 ARG B 100 0.075 7.555 29.199 1.00 0.00 N ATOM 1704 NH2 ARG B 100 1.750 7.000 30.666 1.00 0.00 N ATOM 0 H ARG B 100 1.883 3.345 24.081 1.00 0.00 H new ATOM 0 HA ARG B 100 4.335 3.872 25.494 1.00 0.00 H new ATOM 0 HB2 ARG B 100 1.413 3.723 26.220 1.00 0.00 H new ATOM 0 HB3 ARG B 100 2.651 3.887 27.450 1.00 0.00 H new ATOM 0 HG2 ARG B 100 3.466 5.965 26.355 1.00 0.00 H new ATOM 0 HG3 ARG B 100 2.229 5.802 25.124 1.00 0.00 H new ATOM 0 HD2 ARG B 100 1.313 7.332 26.682 1.00 0.00 H new ATOM 0 HD3 ARG B 100 0.506 5.816 27.029 1.00 0.00 H new ATOM 0 HE ARG B 100 2.830 5.969 28.680 1.00 0.00 H new ATOM 0 HH11 ARG B 100 -0.315 7.546 28.257 1.00 0.00 H new ATOM 0 HH12 ARG B 100 -0.438 8.002 29.959 1.00 0.00 H new ATOM 0 HH21 ARG B 100 2.652 6.564 30.857 1.00 0.00 H new ATOM 0 HH22 ARG B 100 1.231 7.449 31.420 1.00 0.00 H new ATOM 1718 N LEU B 101 2.966 0.950 25.482 1.00 0.00 N ATOM 1719 CA LEU B 101 3.089 -0.449 25.843 1.00 0.00 C ATOM 1720 C LEU B 101 3.927 -1.167 24.792 1.00 0.00 C ATOM 1721 O LEU B 101 4.508 -2.219 25.067 1.00 0.00 O ATOM 1722 CB LEU B 101 1.711 -1.113 25.954 1.00 0.00 C ATOM 1723 CG LEU B 101 1.061 -1.046 27.341 1.00 0.00 C ATOM 1724 CD1 LEU B 101 -0.449 -1.193 27.230 1.00 0.00 C ATOM 1725 CD2 LEU B 101 1.631 -2.123 28.255 1.00 0.00 C ATOM 0 H LEU B 101 2.314 1.121 24.716 1.00 0.00 H new ATOM 0 HA LEU B 101 3.576 -0.517 26.816 1.00 0.00 H new ATOM 0 HB2 LEU B 101 1.041 -0.644 25.234 1.00 0.00 H new ATOM 0 HB3 LEU B 101 1.806 -2.160 25.666 1.00 0.00 H new ATOM 0 HG LEU B 101 1.285 -0.072 27.775 1.00 0.00 H new ATOM 0 HD11 LEU B 101 -0.893 -1.143 28.224 1.00 0.00 H new ATOM 0 HD12 LEU B 101 -0.849 -0.388 26.613 1.00 0.00 H new ATOM 0 HD13 LEU B 101 -0.688 -2.153 26.773 1.00 0.00 H new ATOM 0 HD21 LEU B 101 1.156 -2.058 29.234 1.00 0.00 H new ATOM 0 HD22 LEU B 101 1.439 -3.105 27.823 1.00 0.00 H new ATOM 0 HD23 LEU B 101 2.706 -1.977 28.363 1.00 0.00 H new ATOM 1737 N LEU B 102 3.985 -0.589 23.579 1.00 0.00 N ATOM 1738 CA LEU B 102 4.773 -1.181 22.490 1.00 0.00 C ATOM 1739 C LEU B 102 6.265 -1.125 22.813 1.00 0.00 C ATOM 1740 O LEU B 102 6.972 -2.126 22.694 1.00 0.00 O ATOM 1741 CB LEU B 102 4.502 -0.467 21.161 1.00 0.00 C ATOM 1742 CG LEU B 102 4.831 -1.275 19.899 1.00 0.00 C ATOM 1743 CD1 LEU B 102 3.815 -0.987 18.805 1.00 0.00 C ATOM 1744 CD2 LEU B 102 6.239 -0.961 19.415 1.00 0.00 C ATOM 0 H LEU B 102 3.502 0.275 23.333 1.00 0.00 H new ATOM 0 HA LEU B 102 4.470 -2.223 22.391 1.00 0.00 H new ATOM 0 HB2 LEU B 102 3.449 -0.186 21.127 1.00 0.00 H new ATOM 0 HB3 LEU B 102 5.079 0.457 21.141 1.00 0.00 H new ATOM 0 HG LEU B 102 4.782 -2.335 20.146 1.00 0.00 H new ATOM 0 HD11 LEU B 102 4.063 -1.568 17.917 1.00 0.00 H new ATOM 0 HD12 LEU B 102 2.819 -1.261 19.152 1.00 0.00 H new ATOM 0 HD13 LEU B 102 3.834 0.075 18.561 1.00 0.00 H new ATOM 0 HD21 LEU B 102 6.454 -1.544 18.519 1.00 0.00 H new ATOM 0 HD22 LEU B 102 6.316 0.101 19.184 1.00 0.00 H new ATOM 0 HD23 LEU B 102 6.957 -1.216 20.195 1.00 0.00 H new