USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=4 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 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0787 USER MOD Single : A 31 HIS : no HD1:sc= -0.0262 K(o=-0.026,f=-2!) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 67 THR OG1 : rot 180:sc= -0.0857 USER MOD Single : B 91 HIS : no HD1:sc= -0.0289 K(o=-0.029,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 25 N ILE A 2 -0.583 -1.978 -29.963 1.00 0.00 N ATOM 26 CA ILE A 2 -1.166 -2.360 -28.679 1.00 0.00 C ATOM 27 C ILE A 2 -2.187 -1.322 -28.204 1.00 0.00 C ATOM 28 O ILE A 2 -2.027 -0.128 -28.465 1.00 0.00 O ATOM 29 CB ILE A 2 -0.083 -2.553 -27.586 1.00 0.00 C ATOM 30 CG1 ILE A 2 0.976 -1.445 -27.644 1.00 0.00 C ATOM 31 CG2 ILE A 2 0.569 -3.920 -27.728 1.00 0.00 C ATOM 32 CD1 ILE A 2 0.692 -0.279 -26.719 1.00 0.00 C ATOM 0 HA ILE A 2 -1.670 -3.313 -28.838 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.572 -2.493 -26.614 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.947 -1.870 -27.390 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.047 -1.076 -28.667 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.328 -4.043 -26.955 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.188 -4.697 -27.621 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.035 -4.000 -28.710 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.484 0.464 -26.816 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.263 0.173 -26.986 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.651 -0.633 -25.689 1.00 0.00 H new ATOM 44 N PRO A 3 -3.252 -1.766 -27.496 1.00 0.00 N ATOM 45 CA PRO A 3 -4.299 -0.863 -26.987 1.00 0.00 C ATOM 46 C PRO A 3 -3.797 0.051 -25.868 1.00 0.00 C ATOM 47 O PRO A 3 -2.890 -0.312 -25.117 1.00 0.00 O ATOM 48 CB PRO A 3 -5.370 -1.822 -26.455 1.00 0.00 C ATOM 49 CG PRO A 3 -4.652 -3.093 -26.159 1.00 0.00 C ATOM 50 CD PRO A 3 -3.526 -3.178 -27.151 1.00 0.00 C ATOM 0 HA PRO A 3 -4.658 -0.186 -27.762 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.846 -1.422 -25.560 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.158 -1.978 -27.192 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.272 -3.097 -25.137 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.320 -3.949 -26.254 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -2.649 -3.662 -26.720 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -3.810 -3.757 -28.030 1.00 0.00 H new ATOM 58 N SER A 4 -4.399 1.238 -25.768 1.00 0.00 N ATOM 59 CA SER A 4 -4.023 2.217 -24.745 1.00 0.00 C ATOM 60 C SER A 4 -4.663 1.893 -23.393 1.00 0.00 C ATOM 61 O SER A 4 -4.315 2.492 -22.374 1.00 0.00 O ATOM 62 CB SER A 4 -4.429 3.624 -25.189 1.00 0.00 C ATOM 63 OG SER A 4 -3.790 3.980 -26.403 1.00 0.00 O ATOM 0 H SER A 4 -5.151 1.545 -26.385 1.00 0.00 H new ATOM 0 HA SER A 4 -2.941 2.171 -24.624 1.00 0.00 H new ATOM 0 HB2 SER A 4 -5.511 3.671 -25.316 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.168 4.343 -24.413 1.00 0.00 H new ATOM 0 HG SER A 4 -4.067 4.882 -26.666 1.00 0.00 H new ATOM 69 N ILE A 5 -5.597 0.940 -23.395 1.00 0.00 N ATOM 70 CA ILE A 5 -6.293 0.530 -22.171 1.00 0.00 C ATOM 71 C ILE A 5 -5.463 -0.484 -21.379 1.00 0.00 C ATOM 72 O ILE A 5 -5.536 -0.532 -20.150 1.00 0.00 O ATOM 73 CB ILE A 5 -7.686 -0.078 -22.479 1.00 0.00 C ATOM 74 CG1 ILE A 5 -8.445 0.784 -23.496 1.00 0.00 C ATOM 75 CG2 ILE A 5 -8.506 -0.219 -21.201 1.00 0.00 C ATOM 76 CD1 ILE A 5 -8.316 0.294 -24.922 1.00 0.00 C ATOM 0 H ILE A 5 -5.890 0.436 -24.232 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.431 1.430 -21.572 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.532 -1.068 -22.908 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -9.500 0.809 -23.223 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.077 1.808 -23.438 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -9.480 -0.647 -21.439 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.983 -0.873 -20.503 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.643 0.762 -20.746 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.878 0.952 -25.585 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.266 0.296 -25.214 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.711 -0.719 -24.996 1.00 0.00 H new ATOM 88 N ALA A 6 -4.674 -1.290 -22.093 1.00 0.00 N ATOM 89 CA ALA A 6 -3.829 -2.306 -21.466 1.00 0.00 C ATOM 90 C ALA A 6 -2.503 -1.718 -20.986 1.00 0.00 C ATOM 91 O ALA A 6 -1.899 -2.223 -20.038 1.00 0.00 O ATOM 92 CB ALA A 6 -3.578 -3.452 -22.434 1.00 0.00 C ATOM 0 H ALA A 6 -4.603 -1.257 -23.110 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.359 -2.685 -20.592 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.948 -4.201 -21.955 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.529 -3.904 -22.717 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.077 -3.073 -23.325 1.00 0.00 H new ATOM 98 N THR A 7 -2.063 -0.643 -21.645 1.00 0.00 N ATOM 99 CA THR A 7 -0.805 0.026 -21.300 1.00 0.00 C ATOM 100 C THR A 7 -0.854 0.624 -19.890 1.00 0.00 C ATOM 101 O THR A 7 0.165 0.682 -19.198 1.00 0.00 O ATOM 102 CB THR A 7 -0.470 1.141 -22.313 1.00 0.00 C ATOM 103 OG1 THR A 7 -0.918 0.768 -23.622 1.00 0.00 O ATOM 104 CG2 THR A 7 1.030 1.413 -22.354 1.00 0.00 C ATOM 0 H THR A 7 -2.562 -0.215 -22.425 1.00 0.00 H new ATOM 0 HA THR A 7 -0.025 -0.735 -21.333 1.00 0.00 H new ATOM 0 HB THR A 7 -0.982 2.048 -21.993 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.703 1.482 -24.257 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.237 2.203 -23.076 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.370 1.726 -21.367 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.556 0.505 -22.649 1.00 0.00 H new ATOM 112 N GLY A 8 -2.042 1.070 -19.476 1.00 0.00 N ATOM 113 CA GLY A 8 -2.209 1.646 -18.148 1.00 0.00 C ATOM 114 C GLY A 8 -2.379 0.585 -17.076 1.00 0.00 C ATOM 115 O GLY A 8 -1.804 0.686 -15.985 1.00 0.00 O ATOM 0 H GLY A 8 -2.893 1.042 -20.038 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.342 2.263 -17.911 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.079 2.303 -18.146 1.00 0.00 H new ATOM 119 N LEU A 9 -3.164 -0.446 -17.400 1.00 0.00 N ATOM 120 CA LEU A 9 -3.425 -1.547 -16.478 1.00 0.00 C ATOM 121 C LEU A 9 -2.142 -2.294 -16.124 1.00 0.00 C ATOM 122 O LEU A 9 -1.910 -2.620 -14.964 1.00 0.00 O ATOM 123 CB LEU A 9 -4.438 -2.527 -17.085 1.00 0.00 C ATOM 124 CG LEU A 9 -5.856 -1.975 -17.274 1.00 0.00 C ATOM 125 CD1 LEU A 9 -6.597 -2.765 -18.342 1.00 0.00 C ATOM 126 CD2 LEU A 9 -6.627 -2.011 -15.961 1.00 0.00 C ATOM 0 H LEU A 9 -3.632 -0.538 -18.302 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.838 -1.118 -15.565 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.063 -2.857 -18.054 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.492 -3.409 -16.447 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.777 -0.938 -17.599 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.602 -2.360 -18.463 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.060 -2.691 -19.287 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.662 -3.811 -18.042 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.630 -1.615 -16.117 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.694 -3.040 -15.606 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.109 -1.404 -15.218 1.00 0.00 H new ATOM 138 N VAL A 10 -1.303 -2.547 -17.129 1.00 0.00 N ATOM 139 CA VAL A 10 -0.043 -3.263 -16.918 1.00 0.00 C ATOM 140 C VAL A 10 0.878 -2.516 -15.950 1.00 0.00 C ATOM 141 O VAL A 10 1.519 -3.125 -15.094 1.00 0.00 O ATOM 142 CB VAL A 10 0.697 -3.538 -18.251 1.00 0.00 C ATOM 143 CG1 VAL A 10 -0.100 -4.515 -19.104 1.00 0.00 C ATOM 144 CG2 VAL A 10 0.960 -2.248 -19.024 1.00 0.00 C ATOM 0 H VAL A 10 -1.472 -2.268 -18.095 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.306 -4.222 -16.472 1.00 0.00 H new ATOM 0 HB VAL A 10 1.663 -3.982 -18.011 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.431 -4.700 -20.038 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.222 -5.454 -18.564 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.081 -4.092 -19.322 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.480 -2.480 -19.953 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.012 -1.760 -19.251 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.576 -1.581 -18.420 1.00 0.00 H new ATOM 154 N GLY A 11 0.906 -1.194 -16.080 1.00 0.00 N ATOM 155 CA GLY A 11 1.743 -0.367 -15.219 1.00 0.00 C ATOM 156 C GLY A 11 1.266 -0.345 -13.780 1.00 0.00 C ATOM 157 O GLY A 11 2.054 -0.564 -12.854 1.00 0.00 O ATOM 0 H GLY A 11 0.362 -0.675 -16.769 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.767 -0.738 -15.252 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.760 0.652 -15.607 1.00 0.00 H new ATOM 161 N ALA A 12 -0.032 -0.103 -13.590 1.00 0.00 N ATOM 162 CA ALA A 12 -0.613 -0.036 -12.248 1.00 0.00 C ATOM 163 C ALA A 12 -0.747 -1.409 -11.598 1.00 0.00 C ATOM 164 O ALA A 12 -0.473 -1.562 -10.408 1.00 0.00 O ATOM 165 CB ALA A 12 -1.964 0.662 -12.292 1.00 0.00 C ATOM 0 H ALA A 12 -0.699 0.050 -14.346 1.00 0.00 H new ATOM 0 HA ALA A 12 0.075 0.543 -11.631 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.384 0.705 -11.287 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.838 1.674 -12.676 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.639 0.108 -12.944 1.00 0.00 H new ATOM 171 N LEU A 13 -1.168 -2.403 -12.375 1.00 0.00 N ATOM 172 CA LEU A 13 -1.332 -3.759 -11.858 1.00 0.00 C ATOM 173 C LEU A 13 0.019 -4.368 -11.486 1.00 0.00 C ATOM 174 O LEU A 13 0.138 -5.047 -10.463 1.00 0.00 O ATOM 175 CB LEU A 13 -2.064 -4.637 -12.878 1.00 0.00 C ATOM 176 CG LEU A 13 -3.598 -4.565 -12.822 1.00 0.00 C ATOM 177 CD1 LEU A 13 -4.104 -3.185 -13.234 1.00 0.00 C ATOM 178 CD2 LEU A 13 -4.210 -5.639 -13.709 1.00 0.00 C ATOM 0 H LEU A 13 -1.401 -2.296 -13.362 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.937 -3.709 -10.953 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.739 -4.352 -13.879 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.759 -5.673 -12.727 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.905 -4.740 -11.791 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.193 -3.167 -13.184 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.697 -2.432 -12.559 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.784 -2.970 -14.254 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.297 -5.576 -13.659 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.884 -5.490 -14.738 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.888 -6.622 -13.365 1.00 0.00 H new ATOM 190 N LEU A 14 1.041 -4.110 -12.311 1.00 0.00 N ATOM 191 CA LEU A 14 2.385 -4.618 -12.040 1.00 0.00 C ATOM 192 C LEU A 14 3.012 -3.885 -10.860 1.00 0.00 C ATOM 193 O LEU A 14 3.676 -4.499 -10.019 1.00 0.00 O ATOM 194 CB LEU A 14 3.278 -4.490 -13.279 1.00 0.00 C ATOM 195 CG LEU A 14 3.441 -5.772 -14.103 1.00 0.00 C ATOM 196 CD1 LEU A 14 2.208 -6.025 -14.961 1.00 0.00 C ATOM 197 CD2 LEU A 14 4.686 -5.687 -14.974 1.00 0.00 C ATOM 0 H LEU A 14 0.961 -3.557 -13.164 1.00 0.00 H new ATOM 0 HA LEU A 14 2.298 -5.674 -11.786 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.868 -3.713 -13.924 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.265 -4.153 -12.962 1.00 0.00 H new ATOM 0 HG LEU A 14 3.554 -6.609 -13.414 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.347 -6.940 -15.537 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.333 -6.129 -14.319 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.060 -5.187 -15.642 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.788 -6.605 -15.553 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.599 -4.838 -15.652 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.564 -5.557 -14.342 1.00 0.00 H new ATOM 209 N LEU A 15 2.781 -2.572 -10.788 1.00 0.00 N ATOM 210 CA LEU A 15 3.317 -1.760 -9.697 1.00 0.00 C ATOM 211 C LEU A 15 2.620 -2.110 -8.383 1.00 0.00 C ATOM 212 O LEU A 15 3.262 -2.206 -7.335 1.00 0.00 O ATOM 213 CB LEU A 15 3.155 -0.267 -9.999 1.00 0.00 C ATOM 214 CG LEU A 15 4.459 0.484 -10.287 1.00 0.00 C ATOM 215 CD1 LEU A 15 4.659 0.653 -11.784 1.00 0.00 C ATOM 216 CD2 LEU A 15 4.462 1.836 -9.589 1.00 0.00 C ATOM 0 H LEU A 15 2.229 -2.052 -11.470 1.00 0.00 H new ATOM 0 HA LEU A 15 4.381 -1.978 -9.601 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.493 -0.156 -10.858 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.660 0.208 -9.151 1.00 0.00 H new ATOM 0 HG LEU A 15 5.289 -0.105 -9.896 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.590 1.189 -11.968 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.704 -0.327 -12.258 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.826 1.219 -12.201 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.396 2.355 -9.805 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.624 2.433 -9.948 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.369 1.690 -8.513 1.00 0.00 H new ATOM 228 N LEU A 16 1.303 -2.318 -8.458 1.00 0.00 N ATOM 229 CA LEU A 16 0.504 -2.677 -7.288 1.00 0.00 C ATOM 230 C LEU A 16 0.841 -4.093 -6.823 1.00 0.00 C ATOM 231 O LEU A 16 0.794 -4.391 -5.630 1.00 0.00 O ATOM 232 CB LEU A 16 -0.990 -2.573 -7.609 1.00 0.00 C ATOM 233 CG LEU A 16 -1.895 -2.249 -6.416 1.00 0.00 C ATOM 234 CD1 LEU A 16 -2.012 -0.744 -6.222 1.00 0.00 C ATOM 235 CD2 LEU A 16 -3.271 -2.869 -6.609 1.00 0.00 C ATOM 0 H LEU A 16 0.767 -2.243 -9.323 1.00 0.00 H new ATOM 0 HA LEU A 16 0.741 -1.979 -6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.129 -1.804 -8.369 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.317 -3.516 -8.047 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.445 -2.675 -5.519 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.659 -0.536 -5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.024 -0.323 -6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.437 -0.294 -7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.901 -2.629 -5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.725 -2.471 -7.517 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.174 -3.951 -6.696 1.00 0.00 H new ATOM 247 N LEU A 17 1.182 -4.959 -7.784 1.00 0.00 N ATOM 248 CA LEU A 17 1.540 -6.346 -7.488 1.00 0.00 C ATOM 249 C LEU A 17 2.885 -6.422 -6.762 1.00 0.00 C ATOM 250 O LEU A 17 3.035 -7.175 -5.800 1.00 0.00 O ATOM 251 CB LEU A 17 1.589 -7.168 -8.782 1.00 0.00 C ATOM 252 CG LEU A 17 1.378 -8.675 -8.609 1.00 0.00 C ATOM 253 CD1 LEU A 17 -0.105 -9.019 -8.658 1.00 0.00 C ATOM 254 CD2 LEU A 17 2.139 -9.444 -9.679 1.00 0.00 C ATOM 0 H LEU A 17 1.217 -4.720 -8.775 1.00 0.00 H new ATOM 0 HA LEU A 17 0.776 -6.762 -6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.828 -6.787 -9.464 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.555 -7.006 -9.260 1.00 0.00 H new ATOM 0 HG LEU A 17 1.765 -8.966 -7.632 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.233 -10.094 -8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.627 -8.496 -7.857 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.518 -8.713 -9.619 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.979 -10.513 -9.542 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.781 -9.147 -10.665 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.203 -9.223 -9.598 1.00 0.00 H new ATOM 266 N VAL A 18 3.860 -5.631 -7.230 1.00 0.00 N ATOM 267 CA VAL A 18 5.194 -5.604 -6.621 1.00 0.00 C ATOM 268 C VAL A 18 5.150 -4.970 -5.226 1.00 0.00 C ATOM 269 O VAL A 18 5.764 -5.482 -4.285 1.00 0.00 O ATOM 270 CB VAL A 18 6.213 -4.838 -7.505 1.00 0.00 C ATOM 271 CG1 VAL A 18 7.600 -4.840 -6.873 1.00 0.00 C ATOM 272 CG2 VAL A 18 6.271 -5.438 -8.904 1.00 0.00 C ATOM 0 H VAL A 18 3.749 -5.003 -8.026 1.00 0.00 H new ATOM 0 HA VAL A 18 5.522 -6.640 -6.534 1.00 0.00 H new ATOM 0 HB VAL A 18 5.875 -3.805 -7.582 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.293 -4.296 -7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.555 -4.358 -5.896 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.945 -5.867 -6.755 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.992 -4.886 -9.507 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.576 -6.482 -8.840 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.287 -5.376 -9.368 1.00 0.00 H new ATOM 282 N VAL A 19 4.417 -3.860 -5.099 1.00 0.00 N ATOM 283 CA VAL A 19 4.288 -3.159 -3.817 1.00 0.00 C ATOM 284 C VAL A 19 3.528 -4.016 -2.797 1.00 0.00 C ATOM 285 O VAL A 19 3.927 -4.108 -1.633 1.00 0.00 O ATOM 286 CB VAL A 19 3.576 -1.791 -3.989 1.00 0.00 C ATOM 287 CG1 VAL A 19 3.375 -1.099 -2.647 1.00 0.00 C ATOM 288 CG2 VAL A 19 4.365 -0.891 -4.930 1.00 0.00 C ATOM 0 H VAL A 19 3.904 -3.427 -5.867 1.00 0.00 H new ATOM 0 HA VAL A 19 5.296 -2.978 -3.445 1.00 0.00 H new ATOM 0 HB VAL A 19 2.594 -1.981 -4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.874 -0.143 -2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.764 -1.729 -2.001 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.343 -0.929 -2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.850 0.063 -5.038 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.361 -0.721 -4.521 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.450 -1.370 -5.906 1.00 0.00 H new ATOM 298 N ALA A 20 2.441 -4.650 -3.250 1.00 0.00 N ATOM 299 CA ALA A 20 1.627 -5.508 -2.386 1.00 0.00 C ATOM 300 C ALA A 20 2.395 -6.763 -1.977 1.00 0.00 C ATOM 301 O ALA A 20 2.278 -7.231 -0.842 1.00 0.00 O ATOM 302 CB ALA A 20 0.329 -5.885 -3.082 1.00 0.00 C ATOM 0 H ALA A 20 2.105 -4.584 -4.211 1.00 0.00 H new ATOM 0 HA ALA A 20 1.390 -4.947 -1.482 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.264 -6.523 -2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.234 -4.982 -3.316 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.553 -6.422 -4.004 1.00 0.00 H new ATOM 308 N LEU A 21 3.186 -7.300 -2.910 1.00 0.00 N ATOM 309 CA LEU A 21 3.990 -8.495 -2.652 1.00 0.00 C ATOM 310 C LEU A 21 5.126 -8.179 -1.679 1.00 0.00 C ATOM 311 O LEU A 21 5.485 -9.007 -0.840 1.00 0.00 O ATOM 312 CB LEU A 21 4.559 -9.048 -3.963 1.00 0.00 C ATOM 313 CG LEU A 21 4.843 -10.553 -3.970 1.00 0.00 C ATOM 314 CD1 LEU A 21 3.614 -11.330 -4.423 1.00 0.00 C ATOM 315 CD2 LEU A 21 6.032 -10.867 -4.865 1.00 0.00 C ATOM 0 H LEU A 21 3.286 -6.924 -3.853 1.00 0.00 H new ATOM 0 HA LEU A 21 3.346 -9.250 -2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.858 -8.823 -4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.485 -8.519 -4.190 1.00 0.00 H new ATOM 0 HG LEU A 21 5.086 -10.860 -2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.837 -12.397 -4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.786 -11.131 -3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.338 -11.019 -5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.219 -11.941 -4.858 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.817 -10.543 -5.883 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.914 -10.343 -4.496 1.00 0.00 H new ATOM 327 N GLY A 22 5.679 -6.968 -1.799 1.00 0.00 N ATOM 328 CA GLY A 22 6.760 -6.543 -0.922 1.00 0.00 C ATOM 329 C GLY A 22 6.298 -6.355 0.511 1.00 0.00 C ATOM 330 O GLY A 22 6.882 -6.923 1.439 1.00 0.00 O ATOM 0 H GLY A 22 5.395 -6.274 -2.491 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.560 -7.283 -0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.179 -5.607 -1.292 1.00 0.00 H new ATOM 334 N ILE A 23 5.237 -5.561 0.692 1.00 0.00 N ATOM 335 CA ILE A 23 4.684 -5.308 2.025 1.00 0.00 C ATOM 336 C ILE A 23 4.113 -6.596 2.624 1.00 0.00 C ATOM 337 O ILE A 23 4.244 -6.842 3.823 1.00 0.00 O ATOM 338 CB ILE A 23 3.579 -4.221 1.999 1.00 0.00 C ATOM 339 CG1 ILE A 23 4.056 -2.982 1.231 1.00 0.00 C ATOM 340 CG2 ILE A 23 3.171 -3.837 3.422 1.00 0.00 C ATOM 341 CD1 ILE A 23 2.932 -2.176 0.611 1.00 0.00 C ATOM 0 H ILE A 23 4.746 -5.085 -0.065 1.00 0.00 H new ATOM 0 HA ILE A 23 5.504 -4.946 2.645 1.00 0.00 H new ATOM 0 HB ILE A 23 2.709 -4.632 1.486 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.619 -2.341 1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.742 -3.296 0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.395 -3.073 3.384 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.790 -4.716 3.941 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.038 -3.448 3.956 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.348 -1.316 0.085 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.382 -2.800 -0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.257 -1.831 1.394 1.00 0.00 H new ATOM 353 N GLY A 24 3.490 -7.414 1.772 1.00 0.00 N ATOM 354 CA GLY A 24 2.915 -8.674 2.222 1.00 0.00 C ATOM 355 C GLY A 24 3.970 -9.638 2.737 1.00 0.00 C ATOM 356 O GLY A 24 3.808 -10.230 3.804 1.00 0.00 O ATOM 0 H GLY A 24 3.374 -7.225 0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.189 -8.478 3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.373 -9.138 1.398 1.00 0.00 H new ATOM 360 N LEU A 25 5.057 -9.783 1.976 1.00 0.00 N ATOM 361 CA LEU A 25 6.155 -10.675 2.356 1.00 0.00 C ATOM 362 C LEU A 25 6.974 -10.083 3.503 1.00 0.00 C ATOM 363 O LEU A 25 7.624 -10.815 4.253 1.00 0.00 O ATOM 364 CB LEU A 25 7.065 -10.945 1.153 1.00 0.00 C ATOM 365 CG LEU A 25 6.467 -11.844 0.066 1.00 0.00 C ATOM 366 CD1 LEU A 25 7.124 -11.565 -1.276 1.00 0.00 C ATOM 367 CD2 LEU A 25 6.625 -13.314 0.437 1.00 0.00 C ATOM 0 H LEU A 25 5.201 -9.294 1.092 1.00 0.00 H new ATOM 0 HA LEU A 25 5.719 -11.615 2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.336 -9.990 0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.987 -11.402 1.512 1.00 0.00 H new ATOM 0 HG LEU A 25 5.403 -11.621 -0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.687 -12.212 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.963 -10.523 -1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.194 -11.760 -1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.194 -13.936 -0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.684 -13.550 0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.111 -13.509 1.378 1.00 0.00 H new ATOM 379 N PHE A 26 6.937 -8.753 3.632 1.00 0.00 N ATOM 380 CA PHE A 26 7.668 -8.056 4.691 1.00 0.00 C ATOM 381 C PHE A 26 6.967 -8.209 6.043 1.00 0.00 C ATOM 382 O PHE A 26 7.623 -8.368 7.075 1.00 0.00 O ATOM 383 CB PHE A 26 7.814 -6.571 4.342 1.00 0.00 C ATOM 384 CG PHE A 26 9.011 -5.915 4.975 1.00 0.00 C ATOM 385 CD1 PHE A 26 10.234 -5.894 4.323 1.00 0.00 C ATOM 386 CD2 PHE A 26 8.910 -5.317 6.222 1.00 0.00 C ATOM 387 CE1 PHE A 26 11.333 -5.292 4.902 1.00 0.00 C ATOM 388 CE2 PHE A 26 10.007 -4.713 6.807 1.00 0.00 C ATOM 389 CZ PHE A 26 11.219 -4.700 6.145 1.00 0.00 C ATOM 0 H PHE A 26 6.407 -8.138 3.014 1.00 0.00 H new ATOM 0 HA PHE A 26 8.657 -8.507 4.769 1.00 0.00 H new ATOM 0 HB2 PHE A 26 7.884 -6.467 3.259 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.913 -6.043 4.656 1.00 0.00 H new ATOM 0 HD1 PHE A 26 10.328 -6.354 3.350 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.963 -5.323 6.742 1.00 0.00 H new ATOM 0 HE1 PHE A 26 12.281 -5.284 4.384 1.00 0.00 H new ATOM 0 HE2 PHE A 26 9.917 -4.252 7.780 1.00 0.00 H new ATOM 0 HZ PHE A 26 12.077 -4.227 6.599 1.00 0.00 H new ATOM 399 N ILE A 27 5.631 -8.161 6.030 1.00 0.00 N ATOM 400 CA ILE A 27 4.838 -8.296 7.254 1.00 0.00 C ATOM 401 C ILE A 27 4.621 -9.770 7.614 1.00 0.00 C ATOM 402 O ILE A 27 4.530 -10.118 8.793 1.00 0.00 O ATOM 403 CB ILE A 27 3.459 -7.588 7.129 1.00 0.00 C ATOM 404 CG1 ILE A 27 3.621 -6.131 6.645 1.00 0.00 C ATOM 405 CG2 ILE A 27 2.700 -7.632 8.453 1.00 0.00 C ATOM 406 CD1 ILE A 27 4.512 -5.262 7.521 1.00 0.00 C ATOM 0 H ILE A 27 5.077 -8.030 5.184 1.00 0.00 H new ATOM 0 HA ILE A 27 5.406 -7.813 8.049 1.00 0.00 H new ATOM 0 HB ILE A 27 2.877 -8.129 6.383 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.029 -6.142 5.634 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.635 -5.671 6.585 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.739 -7.130 8.338 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.535 -8.670 8.744 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.283 -7.128 9.224 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.566 -4.257 7.102 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.097 -5.214 8.528 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.513 -5.692 7.562 1.00 0.00 H new ATOM 418 N ARG A 28 4.540 -10.629 6.594 1.00 0.00 N ATOM 419 CA ARG A 28 4.338 -12.067 6.803 1.00 0.00 C ATOM 420 C ARG A 28 5.545 -12.711 7.486 1.00 0.00 C ATOM 421 O ARG A 28 5.415 -13.735 8.157 1.00 0.00 O ATOM 422 CB ARG A 28 4.063 -12.766 5.472 1.00 0.00 C ATOM 423 CG ARG A 28 2.604 -12.712 5.045 1.00 0.00 C ATOM 424 CD ARG A 28 2.384 -13.420 3.718 1.00 0.00 C ATOM 425 NE ARG A 28 0.983 -13.376 3.297 1.00 0.00 N ATOM 426 CZ ARG A 28 0.522 -13.919 2.171 1.00 0.00 C ATOM 427 NH1 ARG A 28 1.345 -14.552 1.340 1.00 0.00 N ATOM 428 NH2 ARG A 28 -0.766 -13.829 1.871 1.00 0.00 N ATOM 0 H ARG A 28 4.611 -10.354 5.614 1.00 0.00 H new ATOM 0 HA ARG A 28 3.475 -12.184 7.458 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.677 -12.307 4.697 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.372 -13.808 5.548 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.982 -13.174 5.812 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.287 -11.673 4.961 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.007 -12.957 2.953 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.704 -14.458 3.804 1.00 0.00 H new ATOM 0 HE ARG A 28 0.317 -12.899 3.905 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.338 -14.625 1.562 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.983 -14.965 0.480 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.404 -13.344 2.502 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.119 -14.245 1.009 1.00 0.00 H new ATOM 442 N ARG A 29 6.719 -12.099 7.308 1.00 0.00 N ATOM 443 CA ARG A 29 7.957 -12.603 7.905 1.00 0.00 C ATOM 444 C ARG A 29 8.088 -12.166 9.365 1.00 0.00 C ATOM 445 O ARG A 29 8.867 -12.745 10.127 1.00 0.00 O ATOM 446 CB ARG A 29 9.168 -12.117 7.106 1.00 0.00 C ATOM 447 CG ARG A 29 9.358 -12.841 5.784 1.00 0.00 C ATOM 448 CD ARG A 29 10.574 -12.320 5.032 1.00 0.00 C ATOM 449 NE ARG A 29 10.767 -13.008 3.756 1.00 0.00 N ATOM 450 CZ ARG A 29 11.759 -12.740 2.904 1.00 0.00 C ATOM 451 NH1 ARG A 29 12.655 -11.800 3.184 1.00 0.00 N ATOM 452 NH2 ARG A 29 11.853 -13.417 1.768 1.00 0.00 N ATOM 0 H ARG A 29 6.837 -11.251 6.753 1.00 0.00 H new ATOM 0 HA ARG A 29 7.921 -13.692 7.877 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.060 -11.050 6.913 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.066 -12.243 7.711 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.472 -13.910 5.966 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.467 -12.716 5.168 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.459 -11.251 4.853 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.463 -12.446 5.650 1.00 0.00 H new ATOM 0 HE ARG A 29 10.102 -13.738 3.501 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.589 -11.276 4.056 1.00 0.00 H new ATOM 0 HH12 ARG A 29 13.409 -11.603 2.527 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.168 -14.140 1.547 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.610 -13.215 1.115 1.00 0.00 H new ATOM 466 N ARG A 30 7.321 -11.142 9.745 1.00 0.00 N ATOM 467 CA ARG A 30 7.343 -10.616 11.113 1.00 0.00 C ATOM 468 C ARG A 30 6.453 -11.439 12.045 1.00 0.00 C ATOM 469 O ARG A 30 6.633 -11.414 13.265 1.00 0.00 O ATOM 470 CB ARG A 30 6.893 -9.152 11.125 1.00 0.00 C ATOM 471 CG ARG A 30 7.932 -8.188 10.571 1.00 0.00 C ATOM 472 CD ARG A 30 7.435 -6.749 10.606 1.00 0.00 C ATOM 473 NE ARG A 30 7.449 -6.194 11.961 1.00 0.00 N ATOM 474 CZ ARG A 30 7.063 -4.953 12.265 1.00 0.00 C ATOM 475 NH1 ARG A 30 6.630 -4.129 11.317 1.00 0.00 N ATOM 476 NH2 ARG A 30 7.110 -4.537 13.522 1.00 0.00 N ATOM 0 H ARG A 30 6.674 -10.658 9.122 1.00 0.00 H new ATOM 0 HA ARG A 30 8.368 -10.684 11.477 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.976 -9.058 10.543 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.652 -8.864 12.148 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.851 -8.270 11.151 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.176 -8.465 9.545 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.059 -6.135 9.957 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.421 -6.706 10.208 1.00 0.00 H new ATOM 0 HE ARG A 30 7.774 -6.793 12.720 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.590 -4.443 10.347 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.337 -3.182 11.559 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.441 -5.165 14.255 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.816 -3.589 13.757 1.00 0.00 H new ATOM 490 N HIS A 31 5.496 -12.168 11.463 1.00 0.00 N ATOM 491 CA HIS A 31 4.570 -13.000 12.237 1.00 0.00 C ATOM 492 C HIS A 31 5.274 -14.209 12.861 1.00 0.00 C ATOM 493 O HIS A 31 4.735 -14.846 13.767 1.00 0.00 O ATOM 494 CB HIS A 31 3.419 -13.476 11.348 1.00 0.00 C ATOM 495 CG HIS A 31 2.390 -12.420 11.080 1.00 0.00 C ATOM 496 ND1 HIS A 31 2.280 -11.766 9.872 1.00 0.00 N ATOM 497 CD2 HIS A 31 1.416 -11.911 11.872 1.00 0.00 C ATOM 498 CE1 HIS A 31 1.285 -10.899 9.932 1.00 0.00 C ATOM 499 NE2 HIS A 31 0.743 -10.969 11.134 1.00 0.00 N ATOM 0 H HIS A 31 5.342 -12.199 10.455 1.00 0.00 H new ATOM 0 HA HIS A 31 4.178 -12.385 13.047 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.825 -13.825 10.398 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.935 -14.331 11.821 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.208 -12.193 12.893 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.969 -10.244 9.134 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -0.047 -10.413 11.461 1.00 0.00 H new ATOM 508 N ILE A 32 6.477 -14.516 12.372 1.00 0.00 N ATOM 509 CA ILE A 32 7.256 -15.648 12.883 1.00 0.00 C ATOM 510 C ILE A 32 8.029 -15.257 14.147 1.00 0.00 C ATOM 511 O ILE A 32 8.449 -16.123 14.918 1.00 0.00 O ATOM 512 CB ILE A 32 8.251 -16.189 11.825 1.00 0.00 C ATOM 513 CG1 ILE A 32 7.595 -16.240 10.438 1.00 0.00 C ATOM 514 CG2 ILE A 32 8.753 -17.575 12.223 1.00 0.00 C ATOM 515 CD1 ILE A 32 8.552 -15.948 9.301 1.00 0.00 C ATOM 0 H ILE A 32 6.934 -13.997 11.622 1.00 0.00 H new ATOM 0 HA ILE A 32 6.542 -16.436 13.123 1.00 0.00 H new ATOM 0 HB ILE A 32 9.102 -15.509 11.779 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.158 -17.227 10.289 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.777 -15.521 10.406 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.451 -17.940 11.469 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.259 -17.516 13.187 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.909 -18.260 12.298 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.018 -16.002 8.353 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.971 -14.949 9.425 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.358 -16.682 9.306 1.00 0.00 H new ATOM 627 N LEU A 38 1.166 -8.173 20.563 1.00 0.00 N ATOM 628 CA LEU A 38 0.589 -6.833 20.539 1.00 0.00 C ATOM 629 C LEU A 38 -0.915 -6.898 20.783 1.00 0.00 C ATOM 630 O LEU A 38 -1.485 -6.013 21.405 1.00 0.00 O ATOM 631 CB LEU A 38 0.891 -6.139 19.205 1.00 0.00 C ATOM 632 CG LEU A 38 0.770 -4.608 19.206 1.00 0.00 C ATOM 633 CD1 LEU A 38 1.761 -3.976 20.179 1.00 0.00 C ATOM 634 CD2 LEU A 38 0.984 -4.063 17.802 1.00 0.00 C ATOM 0 HA LEU A 38 1.043 -6.247 21.338 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.903 -6.404 18.900 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.215 -6.538 18.448 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.236 -4.348 19.537 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.651 -2.892 20.157 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.564 -4.340 21.187 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.777 -4.244 19.889 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.896 -2.977 17.816 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.978 -4.342 17.451 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.232 -4.479 17.132 1.00 0.00 H new ATOM 646 N ARG A 39 -1.532 -7.966 20.276 1.00 0.00 N ATOM 647 CA ARG A 39 -2.960 -8.223 20.432 1.00 0.00 C ATOM 648 C ARG A 39 -3.247 -8.521 21.889 1.00 0.00 C ATOM 649 O ARG A 39 -4.342 -8.261 22.388 1.00 0.00 O ATOM 650 CB ARG A 39 -3.397 -9.399 19.555 1.00 0.00 C ATOM 651 CG ARG A 39 -3.434 -9.074 18.070 1.00 0.00 C ATOM 652 CD ARG A 39 -3.685 -10.318 17.231 1.00 0.00 C ATOM 653 NE ARG A 39 -3.730 -10.016 15.801 1.00 0.00 N ATOM 654 CZ ARG A 39 -3.935 -10.928 14.850 1.00 0.00 C ATOM 655 NH1 ARG A 39 -4.118 -12.205 15.167 1.00 0.00 N ATOM 656 NH2 ARG A 39 -3.960 -10.561 13.576 1.00 0.00 N ATOM 0 H ARG A 39 -1.046 -8.684 19.739 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.522 -7.343 20.117 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.717 -10.235 19.718 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.387 -9.728 19.871 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.216 -8.340 17.877 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.489 -8.618 17.773 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.899 -11.049 17.422 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.627 -10.776 17.534 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.596 -9.047 15.513 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.102 -12.495 16.145 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.274 -12.895 14.433 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.822 -9.582 13.324 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.117 -11.258 12.848 1.00 0.00 H new ATOM 670 N ARG A 40 -2.239 -9.080 22.568 1.00 0.00 N ATOM 671 CA ARG A 40 -2.346 -9.350 23.996 1.00 0.00 C ATOM 672 C ARG A 40 -2.353 -8.003 24.701 1.00 0.00 C ATOM 673 O ARG A 40 -2.732 -7.877 25.866 1.00 0.00 O ATOM 674 CB ARG A 40 -1.178 -10.209 24.486 1.00 0.00 C ATOM 675 CG ARG A 40 -1.524 -11.682 24.630 1.00 0.00 C ATOM 676 CD ARG A 40 -0.332 -12.489 25.118 1.00 0.00 C ATOM 677 NE ARG A 40 -0.654 -13.910 25.262 1.00 0.00 N ATOM 678 CZ ARG A 40 0.214 -14.836 25.674 1.00 0.00 C ATOM 679 NH1 ARG A 40 1.461 -14.501 25.987 1.00 0.00 N ATOM 680 NH2 ARG A 40 -0.169 -16.101 25.775 1.00 0.00 N ATOM 0 H ARG A 40 -1.348 -9.351 22.151 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.257 -9.908 24.211 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.345 -10.106 23.790 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.837 -9.829 25.449 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.352 -11.796 25.329 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.861 -12.073 23.670 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.495 -12.374 24.417 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.005 -12.095 26.077 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.601 -14.211 25.033 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.762 -13.529 25.913 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.118 -15.216 26.301 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.125 -16.365 25.538 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.493 -16.811 26.090 1.00 0.00 H new ATOM 694 N LEU A 41 -1.891 -7.007 23.945 1.00 0.00 N ATOM 695 CA LEU A 41 -1.845 -5.629 24.379 1.00 0.00 C ATOM 696 C LEU A 41 -2.843 -4.800 23.566 1.00 0.00 C ATOM 697 O LEU A 41 -3.339 -3.779 24.045 1.00 0.00 O ATOM 698 CB LEU A 41 -0.433 -5.054 24.216 1.00 0.00 C ATOM 699 CG LEU A 41 0.666 -5.774 25.009 1.00 0.00 C ATOM 700 CD1 LEU A 41 2.016 -5.598 24.330 1.00 0.00 C ATOM 701 CD2 LEU A 41 0.723 -5.259 26.441 1.00 0.00 C ATOM 0 H LEU A 41 -1.535 -7.147 23.000 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.112 -5.587 25.435 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.169 -5.077 23.159 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.448 -4.007 24.518 1.00 0.00 H new ATOM 0 HG LEU A 41 0.426 -6.837 25.035 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.783 -6.115 24.906 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.975 -6.016 23.324 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.259 -4.537 24.273 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.509 -5.783 26.985 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.936 -4.190 26.435 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.236 -5.435 26.929 1.00 0.00 H new ATOM 713 N LEU A 42 -3.136 -5.245 22.324 1.00 0.00 N ATOM 714 CA LEU A 42 -4.067 -4.514 21.459 1.00 0.00 C ATOM 715 C LEU A 42 -5.513 -4.965 21.674 1.00 0.00 C ATOM 716 O LEU A 42 -6.365 -4.162 22.059 1.00 0.00 O ATOM 717 CB LEU A 42 -3.685 -4.680 19.981 1.00 0.00 C ATOM 718 CG LEU A 42 -3.881 -3.434 19.108 1.00 0.00 C ATOM 719 CD1 LEU A 42 -2.999 -3.508 17.871 1.00 0.00 C ATOM 720 CD2 LEU A 42 -5.342 -3.282 18.707 1.00 0.00 C ATOM 0 H LEU A 42 -2.746 -6.092 21.911 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.995 -3.461 21.730 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.639 -4.981 19.925 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.274 -5.495 19.560 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.592 -2.560 19.691 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.150 -2.616 17.262 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.953 -3.568 18.173 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.261 -4.392 17.290 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.459 -2.392 18.088 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.658 -4.160 18.143 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.957 -3.185 19.602 1.00 0.00 H new ATOM 1049 N ILE B 62 -0.410 9.744 -28.407 1.00 0.00 N ATOM 1050 CA ILE B 62 0.217 9.779 -27.087 1.00 0.00 C ATOM 1051 C ILE B 62 1.248 8.657 -26.934 1.00 0.00 C ATOM 1052 O ILE B 62 1.074 7.572 -27.493 1.00 0.00 O ATOM 1053 CB ILE B 62 -0.826 9.675 -25.945 1.00 0.00 C ATOM 1054 CG1 ILE B 62 -1.894 8.615 -26.257 1.00 0.00 C ATOM 1055 CG2 ILE B 62 -1.479 11.028 -25.705 1.00 0.00 C ATOM 1056 CD1 ILE B 62 -1.583 7.250 -25.678 1.00 0.00 C ATOM 0 HA ILE B 62 0.719 10.743 -27.009 1.00 0.00 H new ATOM 0 HB ILE B 62 -0.303 9.366 -25.040 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -2.855 8.954 -25.869 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -2.000 8.526 -27.338 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -2.210 10.942 -24.901 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -0.717 11.756 -25.426 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -1.979 11.357 -26.616 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -2.380 6.554 -25.939 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -0.639 6.889 -26.085 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -1.506 7.324 -24.593 1.00 0.00 H new ATOM 1068 N PRO B 63 2.340 8.906 -26.172 1.00 0.00 N ATOM 1069 CA PRO B 63 3.399 7.907 -25.950 1.00 0.00 C ATOM 1070 C PRO B 63 2.931 6.729 -25.094 1.00 0.00 C ATOM 1071 O PRO B 63 2.050 6.880 -24.244 1.00 0.00 O ATOM 1072 CB PRO B 63 4.491 8.697 -25.224 1.00 0.00 C ATOM 1073 CG PRO B 63 3.789 9.844 -24.582 1.00 0.00 C ATOM 1074 CD PRO B 63 2.630 10.180 -25.478 1.00 0.00 C ATOM 0 HA PRO B 63 3.730 7.457 -26.886 1.00 0.00 H new ATOM 0 HB2 PRO B 63 4.995 8.079 -24.481 1.00 0.00 H new ATOM 0 HB3 PRO B 63 5.254 9.044 -25.921 1.00 0.00 H new ATOM 0 HG2 PRO B 63 3.444 9.579 -23.582 1.00 0.00 H new ATOM 0 HG3 PRO B 63 4.457 10.698 -24.473 1.00 0.00 H new ATOM 0 HD2 PRO B 63 1.770 10.529 -24.906 1.00 0.00 H new ATOM 0 HD3 PRO B 63 2.886 10.971 -26.183 1.00 0.00 H new ATOM 1082 N SER B 64 3.529 5.561 -25.327 1.00 0.00 N ATOM 1083 CA SER B 64 3.182 4.346 -24.585 1.00 0.00 C ATOM 1084 C SER B 64 3.869 4.309 -23.218 1.00 0.00 C ATOM 1085 O SER B 64 3.554 3.462 -22.380 1.00 0.00 O ATOM 1086 CB SER B 64 3.568 3.106 -25.394 1.00 0.00 C ATOM 1087 OG SER B 64 2.888 3.076 -26.637 1.00 0.00 O ATOM 0 H SER B 64 4.259 5.429 -26.027 1.00 0.00 H new ATOM 0 HA SER B 64 2.104 4.352 -24.422 1.00 0.00 H new ATOM 0 HB2 SER B 64 4.645 3.100 -25.565 1.00 0.00 H new ATOM 0 HB3 SER B 64 3.330 2.208 -24.824 1.00 0.00 H new ATOM 0 HG SER B 64 3.153 2.275 -27.136 1.00 0.00 H new ATOM 1093 N ILE B 65 4.808 5.234 -23.001 1.00 0.00 N ATOM 1094 CA ILE B 65 5.545 5.311 -21.737 1.00 0.00 C ATOM 1095 C ILE B 65 4.747 6.080 -20.680 1.00 0.00 C ATOM 1096 O ILE B 65 4.862 5.804 -19.483 1.00 0.00 O ATOM 1097 CB ILE B 65 6.931 5.984 -21.921 1.00 0.00 C ATOM 1098 CG1 ILE B 65 7.652 5.423 -23.152 1.00 0.00 C ATOM 1099 CG2 ILE B 65 7.795 5.790 -20.678 1.00 0.00 C ATOM 1100 CD1 ILE B 65 7.478 6.267 -24.396 1.00 0.00 C ATOM 0 H ILE B 65 5.076 5.941 -23.686 1.00 0.00 H new ATOM 0 HA ILE B 65 5.697 4.286 -21.399 1.00 0.00 H new ATOM 0 HB ILE B 65 6.766 7.051 -22.071 1.00 0.00 H new ATOM 0 HG12 ILE B 65 8.715 5.334 -22.930 1.00 0.00 H new ATOM 0 HG13 ILE B 65 7.283 4.417 -23.351 1.00 0.00 H new ATOM 0 HG21 ILE B 65 8.762 6.270 -20.829 1.00 0.00 H new ATOM 0 HG22 ILE B 65 7.299 6.237 -19.817 1.00 0.00 H new ATOM 0 HG23 ILE B 65 7.942 4.725 -20.500 1.00 0.00 H new ATOM 0 HD11 ILE B 65 8.016 5.808 -25.225 1.00 0.00 H new ATOM 0 HD12 ILE B 65 6.419 6.336 -24.644 1.00 0.00 H new ATOM 0 HD13 ILE B 65 7.874 7.266 -24.216 1.00 0.00 H new ATOM 1112 N ALA B 66 3.940 7.041 -21.132 1.00 0.00 N ATOM 1113 CA ALA B 66 3.120 7.854 -20.232 1.00 0.00 C ATOM 1114 C ALA B 66 1.808 7.155 -19.880 1.00 0.00 C ATOM 1115 O ALA B 66 1.237 7.392 -18.813 1.00 0.00 O ATOM 1116 CB ALA B 66 2.841 9.212 -20.858 1.00 0.00 C ATOM 0 H ALA B 66 3.836 7.276 -22.119 1.00 0.00 H new ATOM 0 HA ALA B 66 3.680 7.994 -19.307 1.00 0.00 H new ATOM 0 HB1 ALA B 66 2.230 9.807 -20.179 1.00 0.00 H new ATOM 0 HB2 ALA B 66 3.783 9.727 -21.045 1.00 0.00 H new ATOM 0 HB3 ALA B 66 2.309 9.076 -21.800 1.00 0.00 H new ATOM 1122 N THR B 67 1.341 6.286 -20.781 1.00 0.00 N ATOM 1123 CA THR B 67 0.092 5.545 -20.581 1.00 0.00 C ATOM 1124 C THR B 67 0.185 4.600 -19.377 1.00 0.00 C ATOM 1125 O THR B 67 -0.810 4.359 -18.692 1.00 0.00 O ATOM 1126 CB THR B 67 -0.283 4.733 -21.838 1.00 0.00 C ATOM 1127 OG1 THR B 67 0.125 5.437 -23.018 1.00 0.00 O ATOM 1128 CG2 THR B 67 -1.782 4.474 -21.899 1.00 0.00 C ATOM 0 H THR B 67 1.812 6.077 -21.661 1.00 0.00 H new ATOM 0 HA THR B 67 -0.685 6.285 -20.388 1.00 0.00 H new ATOM 0 HB THR B 67 0.234 3.775 -21.783 1.00 0.00 H new ATOM 0 HG1 THR B 67 -0.115 4.914 -23.811 1.00 0.00 H new ATOM 0 HG21 THR B 67 -2.016 3.900 -22.796 1.00 0.00 H new ATOM 0 HG22 THR B 67 -2.090 3.912 -21.017 1.00 0.00 H new ATOM 0 HG23 THR B 67 -2.315 5.425 -21.928 1.00 0.00 H new ATOM 1136 N GLY B 68 1.385 4.068 -19.135 1.00 0.00 N ATOM 1137 CA GLY B 68 1.595 3.165 -18.012 1.00 0.00 C ATOM 1138 C GLY B 68 1.804 3.910 -16.705 1.00 0.00 C ATOM 1139 O GLY B 68 1.265 3.524 -15.660 1.00 0.00 O ATOM 0 H GLY B 68 2.216 4.247 -19.698 1.00 0.00 H new ATOM 0 HA2 GLY B 68 0.735 2.502 -17.916 1.00 0.00 H new ATOM 0 HA3 GLY B 68 2.462 2.536 -18.212 1.00 0.00 H new ATOM 1143 N LEU B 69 2.582 4.994 -16.775 1.00 0.00 N ATOM 1144 CA LEU B 69 2.880 5.816 -15.605 1.00 0.00 C ATOM 1145 C LEU B 69 1.612 6.437 -15.026 1.00 0.00 C ATOM 1146 O LEU B 69 1.420 6.449 -13.813 1.00 0.00 O ATOM 1147 CB LEU B 69 3.875 6.925 -15.970 1.00 0.00 C ATOM 1148 CG LEU B 69 5.284 6.448 -16.343 1.00 0.00 C ATOM 1149 CD1 LEU B 69 5.992 7.493 -17.192 1.00 0.00 C ATOM 1150 CD2 LEU B 69 6.099 6.142 -15.093 1.00 0.00 C ATOM 0 H LEU B 69 3.018 5.322 -17.637 1.00 0.00 H new ATOM 0 HA LEU B 69 3.322 5.167 -14.850 1.00 0.00 H new ATOM 0 HB2 LEU B 69 3.469 7.493 -16.807 1.00 0.00 H new ATOM 0 HB3 LEU B 69 3.953 7.611 -15.127 1.00 0.00 H new ATOM 0 HG LEU B 69 5.190 5.531 -16.925 1.00 0.00 H new ATOM 0 HD11 LEU B 69 6.990 7.138 -17.448 1.00 0.00 H new ATOM 0 HD12 LEU B 69 5.423 7.666 -18.106 1.00 0.00 H new ATOM 0 HD13 LEU B 69 6.070 8.425 -16.632 1.00 0.00 H new ATOM 0 HD21 LEU B 69 7.095 5.805 -15.381 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.182 7.042 -14.484 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.604 5.359 -14.518 1.00 0.00 H new ATOM 1162 N VAL B 70 0.742 6.942 -15.902 1.00 0.00 N ATOM 1163 CA VAL B 70 -0.508 7.572 -15.467 1.00 0.00 C ATOM 1164 C VAL B 70 -1.399 6.594 -14.700 1.00 0.00 C ATOM 1165 O VAL B 70 -2.009 6.955 -13.694 1.00 0.00 O ATOM 1166 CB VAL B 70 -1.290 8.182 -16.658 1.00 0.00 C ATOM 1167 CG1 VAL B 70 -0.519 9.352 -17.252 1.00 0.00 C ATOM 1168 CG2 VAL B 70 -1.585 7.138 -17.733 1.00 0.00 C ATOM 0 H VAL B 70 0.878 6.928 -16.913 1.00 0.00 H new ATOM 0 HA VAL B 70 -0.227 8.381 -14.792 1.00 0.00 H new ATOM 0 HB VAL B 70 -2.246 8.542 -16.277 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -1.080 9.771 -18.088 1.00 0.00 H new ATOM 0 HG12 VAL B 70 -0.377 10.118 -16.490 1.00 0.00 H new ATOM 0 HG13 VAL B 70 0.453 9.006 -17.604 1.00 0.00 H new ATOM 0 HG21 VAL B 70 -2.134 7.604 -18.551 1.00 0.00 H new ATOM 0 HG22 VAL B 70 -0.648 6.730 -18.111 1.00 0.00 H new ATOM 0 HG23 VAL B 70 -2.184 6.334 -17.305 1.00 0.00 H new ATOM 1178 N GLY B 71 -1.438 5.351 -15.169 1.00 0.00 N ATOM 1179 CA GLY B 71 -2.250 4.325 -14.527 1.00 0.00 C ATOM 1180 C GLY B 71 -1.724 3.930 -13.159 1.00 0.00 C ATOM 1181 O GLY B 71 -2.480 3.894 -12.185 1.00 0.00 O ATOM 0 H GLY B 71 -0.919 5.031 -15.987 1.00 0.00 H new ATOM 0 HA2 GLY B 71 -3.273 4.687 -14.427 1.00 0.00 H new ATOM 0 HA3 GLY B 71 -2.285 3.443 -15.166 1.00 0.00 H new ATOM 1185 N ALA B 72 -0.421 3.651 -13.084 1.00 0.00 N ATOM 1186 CA ALA B 72 0.204 3.238 -11.826 1.00 0.00 C ATOM 1187 C ALA B 72 0.366 4.395 -10.845 1.00 0.00 C ATOM 1188 O ALA B 72 0.131 4.230 -9.648 1.00 0.00 O ATOM 1189 CB ALA B 72 1.549 2.581 -12.095 1.00 0.00 C ATOM 0 H ALA B 72 0.220 3.703 -13.876 1.00 0.00 H new ATOM 0 HA ALA B 72 -0.465 2.515 -11.359 1.00 0.00 H new ATOM 0 HB1 ALA B 72 2.002 2.279 -11.151 1.00 0.00 H new ATOM 0 HB2 ALA B 72 1.406 1.703 -12.726 1.00 0.00 H new ATOM 0 HB3 ALA B 72 2.205 3.289 -12.602 1.00 0.00 H new ATOM 1195 N LEU B 73 0.764 5.559 -11.349 1.00 0.00 N ATOM 1196 CA LEU B 73 0.952 6.733 -10.501 1.00 0.00 C ATOM 1197 C LEU B 73 -0.384 7.217 -9.938 1.00 0.00 C ATOM 1198 O LEU B 73 -0.465 7.605 -8.769 1.00 0.00 O ATOM 1199 CB LEU B 73 1.653 7.851 -11.280 1.00 0.00 C ATOM 1200 CG LEU B 73 3.188 7.774 -11.297 1.00 0.00 C ATOM 1201 CD1 LEU B 73 3.673 6.551 -12.070 1.00 0.00 C ATOM 1202 CD2 LEU B 73 3.775 9.045 -11.891 1.00 0.00 C ATOM 0 H LEU B 73 0.962 5.715 -12.337 1.00 0.00 H new ATOM 0 HA LEU B 73 1.587 6.451 -9.661 1.00 0.00 H new ATOM 0 HB2 LEU B 73 1.293 7.836 -12.309 1.00 0.00 H new ATOM 0 HB3 LEU B 73 1.358 8.810 -10.853 1.00 0.00 H new ATOM 0 HG LEU B 73 3.531 7.676 -10.267 1.00 0.00 H new ATOM 0 HD11 LEU B 73 4.763 6.525 -12.064 1.00 0.00 H new ATOM 0 HD12 LEU B 73 3.286 5.647 -11.600 1.00 0.00 H new ATOM 0 HD13 LEU B 73 3.317 6.606 -13.099 1.00 0.00 H new ATOM 0 HD21 LEU B 73 4.863 8.976 -11.896 1.00 0.00 H new ATOM 0 HD22 LEU B 73 3.414 9.170 -12.912 1.00 0.00 H new ATOM 0 HD23 LEU B 73 3.469 9.902 -11.291 1.00 0.00 H new ATOM 1214 N LEU B 74 -1.434 7.181 -10.767 1.00 0.00 N ATOM 1215 CA LEU B 74 -2.765 7.594 -10.328 1.00 0.00 C ATOM 1216 C LEU B 74 -3.357 6.575 -9.359 1.00 0.00 C ATOM 1217 O LEU B 74 -3.989 6.944 -8.367 1.00 0.00 O ATOM 1218 CB LEU B 74 -3.701 7.790 -11.526 1.00 0.00 C ATOM 1219 CG LEU B 74 -3.885 9.242 -11.982 1.00 0.00 C ATOM 1220 CD1 LEU B 74 -2.680 9.716 -12.785 1.00 0.00 C ATOM 1221 CD2 LEU B 74 -5.159 9.383 -12.801 1.00 0.00 C ATOM 0 H LEU B 74 -1.385 6.872 -11.738 1.00 0.00 H new ATOM 0 HA LEU B 74 -2.663 8.548 -9.810 1.00 0.00 H new ATOM 0 HB2 LEU B 74 -3.318 7.209 -12.365 1.00 0.00 H new ATOM 0 HB3 LEU B 74 -4.678 7.379 -11.274 1.00 0.00 H new ATOM 0 HG LEU B 74 -3.970 9.870 -11.095 1.00 0.00 H new ATOM 0 HD11 LEU B 74 -2.834 10.749 -13.097 1.00 0.00 H new ATOM 0 HD12 LEU B 74 -1.784 9.654 -12.168 1.00 0.00 H new ATOM 0 HD13 LEU B 74 -2.559 9.085 -13.665 1.00 0.00 H new ATOM 0 HD21 LEU B 74 -5.275 10.420 -13.117 1.00 0.00 H new ATOM 0 HD22 LEU B 74 -5.100 8.740 -13.679 1.00 0.00 H new ATOM 0 HD23 LEU B 74 -6.016 9.090 -12.194 1.00 0.00 H new ATOM 1233 N LEU B 75 -3.129 5.291 -9.642 1.00 0.00 N ATOM 1234 CA LEU B 75 -3.631 4.219 -8.783 1.00 0.00 C ATOM 1235 C LEU B 75 -2.890 4.216 -7.448 1.00 0.00 C ATOM 1236 O LEU B 75 -3.494 4.031 -6.390 1.00 0.00 O ATOM 1237 CB LEU B 75 -3.487 2.858 -9.471 1.00 0.00 C ATOM 1238 CG LEU B 75 -4.803 2.201 -9.900 1.00 0.00 C ATOM 1239 CD1 LEU B 75 -5.053 2.428 -11.383 1.00 0.00 C ATOM 1240 CD2 LEU B 75 -4.788 0.714 -9.581 1.00 0.00 C ATOM 0 H LEU B 75 -2.603 4.970 -10.455 1.00 0.00 H new ATOM 0 HA LEU B 75 -4.690 4.400 -8.597 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -2.856 2.979 -10.352 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -2.965 2.181 -8.795 1.00 0.00 H new ATOM 0 HG LEU B 75 -5.616 2.662 -9.340 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -5.992 1.955 -11.670 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -5.110 3.498 -11.583 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -4.236 1.994 -11.960 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -5.731 0.265 -9.893 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -3.965 0.236 -10.113 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -4.657 0.573 -8.508 1.00 0.00 H new ATOM 1252 N LEU B 76 -1.574 4.442 -7.510 1.00 0.00 N ATOM 1253 CA LEU B 76 -0.736 4.486 -6.314 1.00 0.00 C ATOM 1254 C LEU B 76 -1.050 5.731 -5.484 1.00 0.00 C ATOM 1255 O LEU B 76 -0.964 5.705 -4.257 1.00 0.00 O ATOM 1256 CB LEU B 76 0.747 4.476 -6.700 1.00 0.00 C ATOM 1257 CG LEU B 76 1.691 3.855 -5.665 1.00 0.00 C ATOM 1258 CD1 LEU B 76 1.805 2.353 -5.875 1.00 0.00 C ATOM 1259 CD2 LEU B 76 3.061 4.512 -5.734 1.00 0.00 C ATOM 0 H LEU B 76 -1.067 4.598 -8.381 1.00 0.00 H new ATOM 0 HA LEU B 76 -0.951 3.602 -5.714 1.00 0.00 H new ATOM 0 HB2 LEU B 76 0.857 3.933 -7.639 1.00 0.00 H new ATOM 0 HB3 LEU B 76 1.064 5.502 -6.886 1.00 0.00 H new ATOM 0 HG LEU B 76 1.275 4.029 -4.672 1.00 0.00 H new ATOM 0 HD11 LEU B 76 2.480 1.932 -5.130 1.00 0.00 H new ATOM 0 HD12 LEU B 76 0.821 1.896 -5.773 1.00 0.00 H new ATOM 0 HD13 LEU B 76 2.196 2.154 -6.873 1.00 0.00 H new ATOM 0 HD21 LEU B 76 3.719 4.059 -4.992 1.00 0.00 H new ATOM 0 HD22 LEU B 76 3.483 4.370 -6.729 1.00 0.00 H new ATOM 0 HD23 LEU B 76 2.964 5.578 -5.530 1.00 0.00 H new ATOM 1271 N LEU B 77 -1.420 6.816 -6.172 1.00 0.00 N ATOM 1272 CA LEU B 77 -1.761 8.075 -5.513 1.00 0.00 C ATOM 1273 C LEU B 77 -3.082 7.954 -4.749 1.00 0.00 C ATOM 1274 O LEU B 77 -3.196 8.428 -3.618 1.00 0.00 O ATOM 1275 CB LEU B 77 -1.851 9.207 -6.544 1.00 0.00 C ATOM 1276 CG LEU B 77 -1.626 10.619 -5.992 1.00 0.00 C ATOM 1277 CD1 LEU B 77 -0.145 10.969 -5.999 1.00 0.00 C ATOM 1278 CD2 LEU B 77 -2.419 11.636 -6.796 1.00 0.00 C ATOM 0 H LEU B 77 -1.490 6.844 -7.189 1.00 0.00 H new ATOM 0 HA LEU B 77 -0.972 8.307 -4.798 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -1.117 9.021 -7.328 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -2.834 9.171 -7.013 1.00 0.00 H new ATOM 0 HG LEU B 77 -1.977 10.644 -4.961 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -0.007 11.975 -5.603 1.00 0.00 H new ATOM 0 HD12 LEU B 77 0.400 10.257 -5.379 1.00 0.00 H new ATOM 0 HD13 LEU B 77 0.234 10.925 -7.020 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -2.248 12.633 -6.391 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -2.098 11.607 -7.837 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -3.481 11.398 -6.737 1.00 0.00 H new ATOM 1290 N VAL B 78 -4.074 7.308 -5.373 1.00 0.00 N ATOM 1291 CA VAL B 78 -5.387 7.117 -4.749 1.00 0.00 C ATOM 1292 C VAL B 78 -5.300 6.140 -3.569 1.00 0.00 C ATOM 1293 O VAL B 78 -5.879 6.385 -2.509 1.00 0.00 O ATOM 1294 CB VAL B 78 -6.439 6.604 -5.768 1.00 0.00 C ATOM 1295 CG1 VAL B 78 -7.804 6.434 -5.111 1.00 0.00 C ATOM 1296 CG2 VAL B 78 -6.541 7.548 -6.958 1.00 0.00 C ATOM 0 H VAL B 78 -3.992 6.909 -6.308 1.00 0.00 H new ATOM 0 HA VAL B 78 -5.707 8.093 -4.384 1.00 0.00 H new ATOM 0 HB VAL B 78 -6.108 5.628 -6.124 1.00 0.00 H new ATOM 0 HG11 VAL B 78 -8.521 6.074 -5.849 1.00 0.00 H new ATOM 0 HG12 VAL B 78 -7.729 5.714 -4.296 1.00 0.00 H new ATOM 0 HG13 VAL B 78 -8.140 7.393 -4.717 1.00 0.00 H new ATOM 0 HG21 VAL B 78 -7.284 7.170 -7.660 1.00 0.00 H new ATOM 0 HG22 VAL B 78 -6.839 8.538 -6.613 1.00 0.00 H new ATOM 0 HG23 VAL B 78 -5.573 7.613 -7.455 1.00 0.00 H new ATOM 1306 N VAL B 79 -4.567 5.038 -3.763 1.00 0.00 N ATOM 1307 CA VAL B 79 -4.399 4.028 -2.714 1.00 0.00 C ATOM 1308 C VAL B 79 -3.603 4.592 -1.531 1.00 0.00 C ATOM 1309 O VAL B 79 -3.962 4.375 -0.370 1.00 0.00 O ATOM 1310 CB VAL B 79 -3.700 2.755 -3.261 1.00 0.00 C ATOM 1311 CG1 VAL B 79 -3.456 1.737 -2.153 1.00 0.00 C ATOM 1312 CG2 VAL B 79 -4.524 2.128 -4.377 1.00 0.00 C ATOM 0 H VAL B 79 -4.082 4.824 -4.634 1.00 0.00 H new ATOM 0 HA VAL B 79 -5.395 3.752 -2.368 1.00 0.00 H new ATOM 0 HB VAL B 79 -2.733 3.057 -3.664 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -2.965 0.857 -2.569 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -2.820 2.179 -1.386 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -4.409 1.446 -1.710 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -4.017 1.237 -4.747 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -5.507 1.853 -3.994 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -4.639 2.844 -5.191 1.00 0.00 H new ATOM 1322 N ALA B 80 -2.527 5.326 -1.838 1.00 0.00 N ATOM 1323 CA ALA B 80 -1.682 5.932 -0.807 1.00 0.00 C ATOM 1324 C ALA B 80 -2.430 7.034 -0.059 1.00 0.00 C ATOM 1325 O ALA B 80 -2.272 7.189 1.154 1.00 0.00 O ATOM 1326 CB ALA B 80 -0.405 6.484 -1.424 1.00 0.00 C ATOM 0 H ALA B 80 -2.222 5.514 -2.793 1.00 0.00 H new ATOM 0 HA ALA B 80 -1.418 5.155 -0.089 1.00 0.00 H new ATOM 0 HB1 ALA B 80 0.212 6.931 -0.645 1.00 0.00 H new ATOM 0 HB2 ALA B 80 0.146 5.675 -1.904 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -0.657 7.242 -2.166 1.00 0.00 H new ATOM 1332 N LEU B 81 -3.250 7.793 -0.794 1.00 0.00 N ATOM 1333 CA LEU B 81 -4.038 8.875 -0.205 1.00 0.00 C ATOM 1334 C LEU B 81 -5.142 8.312 0.689 1.00 0.00 C ATOM 1335 O LEU B 81 -5.470 8.890 1.727 1.00 0.00 O ATOM 1336 CB LEU B 81 -4.649 9.749 -1.306 1.00 0.00 C ATOM 1337 CG LEU B 81 -4.925 11.202 -0.910 1.00 0.00 C ATOM 1338 CD1 LEU B 81 -3.710 12.076 -1.186 1.00 0.00 C ATOM 1339 CD2 LEU B 81 -6.143 11.733 -1.651 1.00 0.00 C ATOM 0 H LEU B 81 -3.384 7.676 -1.798 1.00 0.00 H new ATOM 0 HA LEU B 81 -3.375 9.488 0.405 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -3.978 9.745 -2.165 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -5.585 9.294 -1.631 1.00 0.00 H new ATOM 0 HG LEU B 81 -5.130 11.232 0.160 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -3.928 13.104 -0.897 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -2.860 11.710 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -3.470 12.041 -2.249 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -6.325 12.767 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -5.964 11.687 -2.725 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -7.014 11.126 -1.402 1.00 0.00 H new ATOM 1351 N GLY B 82 -5.705 7.171 0.277 1.00 0.00 N ATOM 1352 CA GLY B 82 -6.759 6.526 1.047 1.00 0.00 C ATOM 1353 C GLY B 82 -6.250 5.972 2.364 1.00 0.00 C ATOM 1354 O GLY B 82 -6.799 6.276 3.427 1.00 0.00 O ATOM 0 H GLY B 82 -5.447 6.682 -0.580 1.00 0.00 H new ATOM 0 HA2 GLY B 82 -7.556 7.244 1.241 1.00 0.00 H new ATOM 0 HA3 GLY B 82 -7.194 5.718 0.459 1.00 0.00 H new ATOM 1358 N ILE B 83 -5.186 5.164 2.297 1.00 0.00 N ATOM 1359 CA ILE B 83 -4.590 4.572 3.498 1.00 0.00 C ATOM 1360 C ILE B 83 -3.994 5.662 4.393 1.00 0.00 C ATOM 1361 O ILE B 83 -4.084 5.585 5.618 1.00 0.00 O ATOM 1362 CB ILE B 83 -3.491 3.534 3.152 1.00 0.00 C ATOM 1363 CG1 ILE B 83 -3.999 2.538 2.102 1.00 0.00 C ATOM 1364 CG2 ILE B 83 -3.039 2.796 4.409 1.00 0.00 C ATOM 1365 CD1 ILE B 83 -2.901 1.928 1.257 1.00 0.00 C ATOM 0 H ILE B 83 -4.722 4.906 1.426 1.00 0.00 H new ATOM 0 HA ILE B 83 -5.390 4.055 4.028 1.00 0.00 H new ATOM 0 HB ILE B 83 -2.636 4.067 2.736 1.00 0.00 H new ATOM 0 HG12 ILE B 83 -4.543 1.739 2.606 1.00 0.00 H new ATOM 0 HG13 ILE B 83 -4.709 3.044 1.448 1.00 0.00 H new ATOM 0 HG21 ILE B 83 -2.268 2.071 4.148 1.00 0.00 H new ATOM 0 HG22 ILE B 83 -2.637 3.512 5.126 1.00 0.00 H new ATOM 0 HG23 ILE B 83 -3.889 2.277 4.852 1.00 0.00 H new ATOM 0 HD11 ILE B 83 -3.338 1.235 0.538 1.00 0.00 H new ATOM 0 HD12 ILE B 83 -2.371 2.717 0.724 1.00 0.00 H new ATOM 0 HD13 ILE B 83 -2.203 1.392 1.900 1.00 0.00 H new ATOM 1377 N GLY B 84 -3.396 6.678 3.764 1.00 0.00 N ATOM 1378 CA GLY B 84 -2.801 7.778 4.508 1.00 0.00 C ATOM 1379 C GLY B 84 -3.832 8.570 5.292 1.00 0.00 C ATOM 1380 O GLY B 84 -3.633 8.863 6.472 1.00 0.00 O ATOM 0 H GLY B 84 -3.314 6.757 2.750 1.00 0.00 H new ATOM 0 HA2 GLY B 84 -2.050 7.385 5.194 1.00 0.00 H new ATOM 0 HA3 GLY B 84 -2.284 8.444 3.816 1.00 0.00 H new ATOM 1384 N LEU B 85 -4.945 8.904 4.632 1.00 0.00 N ATOM 1385 CA LEU B 85 -6.025 9.660 5.268 1.00 0.00 C ATOM 1386 C LEU B 85 -6.808 8.786 6.249 1.00 0.00 C ATOM 1387 O LEU B 85 -7.428 9.294 7.184 1.00 0.00 O ATOM 1388 CB LEU B 85 -6.974 10.231 4.209 1.00 0.00 C ATOM 1389 CG LEU B 85 -6.408 11.387 3.376 1.00 0.00 C ATOM 1390 CD1 LEU B 85 -7.112 11.464 2.030 1.00 0.00 C ATOM 1391 CD2 LEU B 85 -6.547 12.706 4.124 1.00 0.00 C ATOM 0 H LEU B 85 -5.121 8.662 3.657 1.00 0.00 H new ATOM 0 HA LEU B 85 -5.573 10.481 5.824 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -7.264 9.426 3.533 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -7.882 10.573 4.705 1.00 0.00 H new ATOM 0 HG LEU B 85 -5.348 11.200 3.204 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -6.699 12.290 1.450 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -6.964 10.530 1.488 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -8.178 11.628 2.186 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -6.140 13.514 3.516 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -7.600 12.900 4.327 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -6.001 12.650 5.066 1.00 0.00 H new ATOM 1403 N PHE B 86 -6.773 7.468 6.024 1.00 0.00 N ATOM 1404 CA PHE B 86 -7.472 6.516 6.887 1.00 0.00 C ATOM 1405 C PHE B 86 -6.725 6.312 8.209 1.00 0.00 C ATOM 1406 O PHE B 86 -7.344 6.194 9.266 1.00 0.00 O ATOM 1407 CB PHE B 86 -7.636 5.172 6.167 1.00 0.00 C ATOM 1408 CG PHE B 86 -8.812 4.368 6.647 1.00 0.00 C ATOM 1409 CD1 PHE B 86 -10.056 4.514 6.053 1.00 0.00 C ATOM 1410 CD2 PHE B 86 -8.673 3.466 7.690 1.00 0.00 C ATOM 1411 CE1 PHE B 86 -11.140 3.776 6.492 1.00 0.00 C ATOM 1412 CE2 PHE B 86 -9.753 2.725 8.132 1.00 0.00 C ATOM 1413 CZ PHE B 86 -10.987 2.880 7.532 1.00 0.00 C ATOM 0 H PHE B 86 -6.267 7.038 5.250 1.00 0.00 H new ATOM 0 HA PHE B 86 -8.456 6.927 7.112 1.00 0.00 H new ATOM 0 HB2 PHE B 86 -7.744 5.354 5.098 1.00 0.00 H new ATOM 0 HB3 PHE B 86 -6.727 4.585 6.301 1.00 0.00 H new ATOM 0 HD1 PHE B 86 -10.180 5.212 5.238 1.00 0.00 H new ATOM 0 HD2 PHE B 86 -7.710 3.341 8.163 1.00 0.00 H new ATOM 0 HE1 PHE B 86 -12.105 3.900 6.022 1.00 0.00 H new ATOM 0 HE2 PHE B 86 -9.632 2.025 8.946 1.00 0.00 H new ATOM 0 HZ PHE B 86 -11.832 2.301 7.876 1.00 0.00 H new ATOM 1423 N ILE B 87 -5.390 6.276 8.138 1.00 0.00 N ATOM 1424 CA ILE B 87 -4.555 6.090 9.328 1.00 0.00 C ATOM 1425 C ILE B 87 -4.320 7.420 10.053 1.00 0.00 C ATOM 1426 O ILE B 87 -4.188 7.447 11.279 1.00 0.00 O ATOM 1427 CB ILE B 87 -3.186 5.445 8.976 1.00 0.00 C ATOM 1428 CG1 ILE B 87 -3.369 4.165 8.134 1.00 0.00 C ATOM 1429 CG2 ILE B 87 -2.382 5.144 10.240 1.00 0.00 C ATOM 1430 CD1 ILE B 87 -4.234 3.093 8.781 1.00 0.00 C ATOM 0 H ILE B 87 -4.865 6.373 7.269 1.00 0.00 H new ATOM 0 HA ILE B 87 -5.098 5.413 9.988 1.00 0.00 H new ATOM 0 HB ILE B 87 -2.628 6.165 8.377 1.00 0.00 H new ATOM 0 HG12 ILE B 87 -3.810 4.438 7.175 1.00 0.00 H new ATOM 0 HG13 ILE B 87 -2.387 3.742 7.924 1.00 0.00 H new ATOM 0 HG21 ILE B 87 -1.428 4.693 9.966 1.00 0.00 H new ATOM 0 HG22 ILE B 87 -2.202 6.070 10.786 1.00 0.00 H new ATOM 0 HG23 ILE B 87 -2.941 4.454 10.871 1.00 0.00 H new ATOM 0 HD11 ILE B 87 -4.305 2.232 8.116 1.00 0.00 H new ATOM 0 HD12 ILE B 87 -3.786 2.785 9.726 1.00 0.00 H new ATOM 0 HD13 ILE B 87 -5.231 3.492 8.965 1.00 0.00 H new ATOM 1442 N ARG B 88 -4.270 8.516 9.291 1.00 0.00 N ATOM 1443 CA ARG B 88 -4.054 9.849 9.861 1.00 0.00 C ATOM 1444 C ARG B 88 -5.236 10.286 10.730 1.00 0.00 C ATOM 1445 O ARG B 88 -5.077 11.101 11.641 1.00 0.00 O ATOM 1446 CB ARG B 88 -3.819 10.874 8.750 1.00 0.00 C ATOM 1447 CG ARG B 88 -2.376 10.940 8.277 1.00 0.00 C ATOM 1448 CD ARG B 88 -2.199 11.971 7.174 1.00 0.00 C ATOM 1449 NE ARG B 88 -0.812 12.045 6.710 1.00 0.00 N ATOM 1450 CZ ARG B 88 -0.387 12.866 5.750 1.00 0.00 C ATOM 1451 NH1 ARG B 88 -1.234 13.690 5.141 1.00 0.00 N ATOM 1452 NH2 ARG B 88 0.889 12.863 5.394 1.00 0.00 N ATOM 0 H ARG B 88 -4.376 8.507 8.277 1.00 0.00 H new ATOM 0 HA ARG B 88 -3.168 9.796 10.494 1.00 0.00 H new ATOM 0 HB2 ARG B 88 -4.460 10.631 7.902 1.00 0.00 H new ATOM 0 HB3 ARG B 88 -4.121 11.859 9.106 1.00 0.00 H new ATOM 0 HG2 ARG B 88 -1.728 11.189 9.117 1.00 0.00 H new ATOM 0 HG3 ARG B 88 -2.066 9.960 7.914 1.00 0.00 H new ATOM 0 HD2 ARG B 88 -2.849 11.720 6.336 1.00 0.00 H new ATOM 0 HD3 ARG B 88 -2.512 12.949 7.539 1.00 0.00 H new ATOM 0 HE ARG B 88 -0.128 11.429 7.149 1.00 0.00 H new ATOM 0 HH11 ARG B 88 -2.219 13.698 5.407 1.00 0.00 H new ATOM 0 HH12 ARG B 88 -0.899 14.315 4.407 1.00 0.00 H new ATOM 0 HH21 ARG B 88 1.545 12.233 5.855 1.00 0.00 H new ATOM 0 HH22 ARG B 88 1.215 13.491 4.659 1.00 0.00 H new ATOM 1466 N ARG B 89 -6.417 9.739 10.436 1.00 0.00 N ATOM 1467 CA ARG B 89 -7.632 10.064 11.186 1.00 0.00 C ATOM 1468 C ARG B 89 -7.716 9.260 12.485 1.00 0.00 C ATOM 1469 O ARG B 89 -8.465 9.615 13.396 1.00 0.00 O ATOM 1470 CB ARG B 89 -8.872 9.797 10.329 1.00 0.00 C ATOM 1471 CG ARG B 89 -9.104 10.842 9.248 1.00 0.00 C ATOM 1472 CD ARG B 89 -10.345 10.529 8.429 1.00 0.00 C ATOM 1473 NE ARG B 89 -10.577 11.526 7.383 1.00 0.00 N ATOM 1474 CZ ARG B 89 -11.597 11.486 6.525 1.00 0.00 C ATOM 1475 NH1 ARG B 89 -12.488 10.501 6.579 1.00 0.00 N ATOM 1476 NH2 ARG B 89 -11.729 12.436 5.608 1.00 0.00 N ATOM 0 H ARG B 89 -6.558 9.067 9.682 1.00 0.00 H new ATOM 0 HA ARG B 89 -7.592 11.123 11.442 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -8.775 8.818 9.861 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -9.748 9.756 10.976 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -9.208 11.825 9.707 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -8.235 10.887 8.591 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -10.240 9.544 7.974 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -11.213 10.486 9.087 1.00 0.00 H new ATOM 0 HE ARG B 89 -9.917 12.300 7.305 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -12.395 9.767 7.281 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -13.265 10.479 5.918 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -11.051 13.196 5.560 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -12.509 12.406 4.951 1.00 0.00 H new ATOM 1490 N ARG B 90 -6.941 8.175 12.558 1.00 0.00 N ATOM 1491 CA ARG B 90 -6.920 7.309 13.739 1.00 0.00 C ATOM 1492 C ARG B 90 -5.996 7.864 14.826 1.00 0.00 C ATOM 1493 O ARG B 90 -6.134 7.520 16.001 1.00 0.00 O ATOM 1494 CB ARG B 90 -6.476 5.896 13.354 1.00 0.00 C ATOM 1495 CG ARG B 90 -7.537 5.104 12.603 1.00 0.00 C ATOM 1496 CD ARG B 90 -7.046 3.710 12.244 1.00 0.00 C ATOM 1497 NE ARG B 90 -7.017 2.818 13.406 1.00 0.00 N ATOM 1498 CZ ARG B 90 -6.627 1.544 13.362 1.00 0.00 C ATOM 1499 NH1 ARG B 90 -6.230 0.998 12.218 1.00 0.00 N ATOM 1500 NH2 ARG B 90 -6.634 0.813 14.468 1.00 0.00 N ATOM 0 H ARG B 90 -6.317 7.875 11.809 1.00 0.00 H new ATOM 0 HA ARG B 90 -7.933 7.274 14.140 1.00 0.00 H new ATOM 0 HB2 ARG B 90 -5.580 5.962 12.737 1.00 0.00 H new ATOM 0 HB3 ARG B 90 -6.201 5.352 14.258 1.00 0.00 H new ATOM 0 HG2 ARG B 90 -8.436 5.027 13.215 1.00 0.00 H new ATOM 0 HG3 ARG B 90 -7.815 5.638 11.694 1.00 0.00 H new ATOM 0 HD2 ARG B 90 -7.694 3.285 11.477 1.00 0.00 H new ATOM 0 HD3 ARG B 90 -6.046 3.778 11.815 1.00 0.00 H new ATOM 0 HE ARG B 90 -7.314 3.196 14.306 1.00 0.00 H new ATOM 0 HH11 ARG B 90 -6.222 1.554 11.363 1.00 0.00 H new ATOM 0 HH12 ARG B 90 -5.933 0.022 12.194 1.00 0.00 H new ATOM 0 HH21 ARG B 90 -6.937 1.226 15.350 1.00 0.00 H new ATOM 0 HH22 ARG B 90 -6.336 -0.162 14.437 1.00 0.00 H new ATOM 1514 N HIS B 91 -5.057 8.724 14.423 1.00 0.00 N ATOM 1515 CA HIS B 91 -4.100 9.330 15.354 1.00 0.00 C ATOM 1516 C HIS B 91 -4.777 10.329 16.296 1.00 0.00 C ATOM 1517 O HIS B 91 -4.206 10.711 17.320 1.00 0.00 O ATOM 1518 CB HIS B 91 -2.977 10.026 14.584 1.00 0.00 C ATOM 1519 CG HIS B 91 -1.962 9.082 14.016 1.00 0.00 C ATOM 1520 ND1 HIS B 91 -1.897 8.766 12.675 1.00 0.00 N ATOM 1521 CD2 HIS B 91 -0.965 8.388 14.613 1.00 0.00 C ATOM 1522 CE1 HIS B 91 -0.903 7.918 12.472 1.00 0.00 C ATOM 1523 NE2 HIS B 91 -0.322 7.673 13.632 1.00 0.00 N ATOM 0 H HIS B 91 -4.938 9.018 13.453 1.00 0.00 H new ATOM 0 HA HIS B 91 -3.682 8.526 15.960 1.00 0.00 H new ATOM 0 HB2 HIS B 91 -3.412 10.609 13.772 1.00 0.00 H new ATOM 0 HB3 HIS B 91 -2.475 10.729 15.248 1.00 0.00 H new ATOM 0 HD2 HIS B 91 -0.720 8.395 15.665 1.00 0.00 H new ATOM 0 HE1 HIS B 91 -0.615 7.497 11.520 1.00 0.00 H new ATOM 0 HE2 HIS B 91 0.475 7.053 13.776 1.00 0.00 H new ATOM 1532 N ILE B 92 -5.995 10.749 15.946 1.00 0.00 N ATOM 1533 CA ILE B 92 -6.751 11.704 16.760 1.00 0.00 C ATOM 1534 C ILE B 92 -7.483 10.992 17.904 1.00 0.00 C ATOM 1535 O ILE B 92 -7.875 11.625 18.888 1.00 0.00 O ATOM 1536 CB ILE B 92 -7.778 12.498 15.914 1.00 0.00 C ATOM 1537 CG1 ILE B 92 -7.170 12.912 14.568 1.00 0.00 C ATOM 1538 CG2 ILE B 92 -8.260 13.730 16.677 1.00 0.00 C ATOM 1539 CD1 ILE B 92 -8.165 12.924 13.426 1.00 0.00 C ATOM 0 H ILE B 92 -6.480 10.442 15.103 1.00 0.00 H new ATOM 0 HA ILE B 92 -6.026 12.405 17.173 1.00 0.00 H new ATOM 0 HB ILE B 92 -8.633 11.850 15.721 1.00 0.00 H new ATOM 0 HG12 ILE B 92 -6.733 13.906 14.667 1.00 0.00 H new ATOM 0 HG13 ILE B 92 -6.357 12.229 14.322 1.00 0.00 H new ATOM 0 HG21 ILE B 92 -8.981 14.276 16.068 1.00 0.00 H new ATOM 0 HG22 ILE B 92 -8.733 13.419 17.608 1.00 0.00 H new ATOM 0 HG23 ILE B 92 -7.410 14.375 16.900 1.00 0.00 H new ATOM 0 HD11 ILE B 92 -7.661 13.226 12.508 1.00 0.00 H new ATOM 0 HD12 ILE B 92 -8.584 11.926 13.298 1.00 0.00 H new ATOM 0 HD13 ILE B 92 -8.966 13.628 13.649 1.00 0.00 H new ATOM 1651 N LEU B 98 -0.441 2.509 22.012 1.00 0.00 N ATOM 1652 CA LEU B 98 0.129 1.224 21.619 1.00 0.00 C ATOM 1653 C LEU B 98 1.640 1.230 21.821 1.00 0.00 C ATOM 1654 O LEU B 98 2.226 0.216 22.170 1.00 0.00 O ATOM 1655 CB LEU B 98 -0.221 0.903 20.160 1.00 0.00 C ATOM 1656 CG LEU B 98 -0.108 -0.575 19.757 1.00 0.00 C ATOM 1657 CD1 LEU B 98 -1.068 -1.445 20.564 1.00 0.00 C ATOM 1658 CD2 LEU B 98 -0.370 -0.736 18.268 1.00 0.00 C ATOM 0 HA LEU B 98 -0.300 0.447 22.251 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -1.241 1.236 19.969 1.00 0.00 H new ATOM 0 HB3 LEU B 98 0.432 1.488 19.512 1.00 0.00 H new ATOM 0 HG LEU B 98 0.907 -0.907 19.975 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -0.964 -2.485 20.255 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -0.835 -1.356 21.625 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -2.092 -1.116 20.389 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -0.287 -1.788 17.996 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -1.373 -0.379 18.034 1.00 0.00 H new ATOM 0 HD23 LEU B 98 0.362 -0.157 17.705 1.00 0.00 H new ATOM 1670 N ARG B 99 2.245 2.395 21.590 1.00 0.00 N ATOM 1671 CA ARG B 99 3.678 2.610 21.760 1.00 0.00 C ATOM 1672 C ARG B 99 4.015 2.517 23.235 1.00 0.00 C ATOM 1673 O ARG B 99 5.125 2.141 23.611 1.00 0.00 O ATOM 1674 CB ARG B 99 4.090 3.976 21.207 1.00 0.00 C ATOM 1675 CG ARG B 99 4.076 4.051 19.688 1.00 0.00 C ATOM 1676 CD ARG B 99 4.305 5.471 19.197 1.00 0.00 C ATOM 1677 NE ARG B 99 4.300 5.554 17.735 1.00 0.00 N ATOM 1678 CZ ARG B 99 4.478 6.685 17.050 1.00 0.00 C ATOM 1679 NH1 ARG B 99 4.677 7.835 17.684 1.00 0.00 N ATOM 1680 NH2 ARG B 99 4.459 6.663 15.724 1.00 0.00 N ATOM 0 H ARG B 99 1.745 3.226 21.275 1.00 0.00 H new ATOM 0 HA ARG B 99 4.226 1.847 21.207 1.00 0.00 H new ATOM 0 HB2 ARG B 99 3.419 4.737 21.606 1.00 0.00 H new ATOM 0 HB3 ARG B 99 5.091 4.216 21.564 1.00 0.00 H new ATOM 0 HG2 ARG B 99 4.848 3.396 19.283 1.00 0.00 H new ATOM 0 HG3 ARG B 99 3.120 3.685 19.314 1.00 0.00 H new ATOM 0 HD2 ARG B 99 3.530 6.123 19.600 1.00 0.00 H new ATOM 0 HD3 ARG B 99 5.259 5.837 19.578 1.00 0.00 H new ATOM 0 HE ARG B 99 4.151 4.694 17.208 1.00 0.00 H new ATOM 0 HH11 ARG B 99 4.695 7.859 18.704 1.00 0.00 H new ATOM 0 HH12 ARG B 99 4.812 8.694 17.151 1.00 0.00 H new ATOM 0 HH21 ARG B 99 4.309 5.783 15.231 1.00 0.00 H new ATOM 0 HH22 ARG B 99 4.595 7.526 15.198 1.00 0.00 H new ATOM 1694 N ARG B 100 3.032 2.875 24.070 1.00 0.00 N ATOM 1695 CA ARG B 100 3.187 2.763 25.513 1.00 0.00 C ATOM 1696 C ARG B 100 3.213 1.279 25.842 1.00 0.00 C ATOM 1697 O ARG B 100 3.631 0.854 26.919 1.00 0.00 O ATOM 1698 CB ARG B 100 2.040 3.460 26.250 1.00 0.00 C ATOM 1699 CG ARG B 100 2.398 4.844 26.761 1.00 0.00 C ATOM 1700 CD ARG B 100 1.227 5.491 27.483 1.00 0.00 C ATOM 1701 NE ARG B 100 1.561 6.826 27.983 1.00 0.00 N ATOM 1702 CZ ARG B 100 0.711 7.607 28.651 1.00 0.00 C ATOM 1703 NH1 ARG B 100 -0.527 7.197 28.907 1.00 0.00 N ATOM 1704 NH2 ARG B 100 1.102 8.804 29.067 1.00 0.00 N ATOM 0 H ARG B 100 2.129 3.241 23.768 1.00 0.00 H new ATOM 0 HA ARG B 100 4.107 3.250 25.835 1.00 0.00 H new ATOM 0 HB2 ARG B 100 1.184 3.539 25.580 1.00 0.00 H new ATOM 0 HB3 ARG B 100 1.730 2.840 27.091 1.00 0.00 H new ATOM 0 HG2 ARG B 100 3.250 4.774 27.437 1.00 0.00 H new ATOM 0 HG3 ARG B 100 2.705 5.473 25.926 1.00 0.00 H new ATOM 0 HD2 ARG B 100 0.376 5.560 26.805 1.00 0.00 H new ATOM 0 HD3 ARG B 100 0.920 4.858 28.316 1.00 0.00 H new ATOM 0 HE ARG B 100 2.502 7.181 27.810 1.00 0.00 H new ATOM 0 HH11 ARG B 100 -0.835 6.277 28.592 1.00 0.00 H new ATOM 0 HH12 ARG B 100 -1.169 7.802 29.419 1.00 0.00 H new ATOM 0 HH21 ARG B 100 2.051 9.125 28.876 1.00 0.00 H new ATOM 0 HH22 ARG B 100 0.454 9.403 29.578 1.00 0.00 H new ATOM 1718 N LEU B 101 2.721 0.512 24.867 1.00 0.00 N ATOM 1719 CA LEU B 101 2.684 -0.930 24.927 1.00 0.00 C ATOM 1720 C LEU B 101 3.650 -1.514 23.892 1.00 0.00 C ATOM 1721 O LEU B 101 4.157 -2.623 24.071 1.00 0.00 O ATOM 1722 CB LEU B 101 1.264 -1.448 24.666 1.00 0.00 C ATOM 1723 CG LEU B 101 0.195 -0.966 25.656 1.00 0.00 C ATOM 1724 CD1 LEU B 101 -1.177 -0.964 25.000 1.00 0.00 C ATOM 1725 CD2 LEU B 101 0.184 -1.840 26.904 1.00 0.00 C ATOM 0 H LEU B 101 2.333 0.893 24.004 1.00 0.00 H new ATOM 0 HA LEU B 101 2.987 -1.245 25.926 1.00 0.00 H new ATOM 0 HB2 LEU B 101 0.965 -1.149 23.661 1.00 0.00 H new ATOM 0 HB3 LEU B 101 1.284 -2.538 24.682 1.00 0.00 H new ATOM 0 HG LEU B 101 0.440 0.054 25.952 1.00 0.00 H new ATOM 0 HD11 LEU B 101 -1.922 -0.619 25.717 1.00 0.00 H new ATOM 0 HD12 LEU B 101 -1.167 -0.297 24.138 1.00 0.00 H new ATOM 0 HD13 LEU B 101 -1.426 -1.974 24.675 1.00 0.00 H new ATOM 0 HD21 LEU B 101 -0.581 -1.481 27.593 1.00 0.00 H new ATOM 0 HD22 LEU B 101 -0.034 -2.871 26.624 1.00 0.00 H new ATOM 0 HD23 LEU B 101 1.159 -1.794 27.389 1.00 0.00 H new ATOM 1737 N LEU B 102 3.903 -0.759 22.801 1.00 0.00 N ATOM 1738 CA LEU B 102 4.803 -1.233 21.745 1.00 0.00 C ATOM 1739 C LEU B 102 6.256 -0.849 22.023 1.00 0.00 C ATOM 1740 O LEU B 102 7.118 -1.720 22.156 1.00 0.00 O ATOM 1741 CB LEU B 102 4.371 -0.689 20.376 1.00 0.00 C ATOM 1742 CG LEU B 102 4.533 -1.662 19.201 1.00 0.00 C ATOM 1743 CD1 LEU B 102 3.610 -1.271 18.056 1.00 0.00 C ATOM 1744 CD2 LEU B 102 5.979 -1.698 18.726 1.00 0.00 C ATOM 0 H LEU B 102 3.501 0.164 22.636 1.00 0.00 H new ATOM 0 HA LEU B 102 4.738 -2.321 21.733 1.00 0.00 H new ATOM 0 HB2 LEU B 102 3.325 -0.390 20.436 1.00 0.00 H new ATOM 0 HB3 LEU B 102 4.948 0.211 20.163 1.00 0.00 H new ATOM 0 HG LEU B 102 4.260 -2.660 19.544 1.00 0.00 H new ATOM 0 HD11 LEU B 102 3.737 -1.971 17.231 1.00 0.00 H new ATOM 0 HD12 LEU B 102 2.575 -1.297 18.398 1.00 0.00 H new ATOM 0 HD13 LEU B 102 3.855 -0.264 17.719 1.00 0.00 H new ATOM 0 HD21 LEU B 102 6.071 -2.394 17.892 1.00 0.00 H new ATOM 0 HD22 LEU B 102 6.280 -0.702 18.402 1.00 0.00 H new ATOM 0 HD23 LEU B 102 6.622 -2.024 19.543 1.00 0.00 H new