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= -0.129 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0767 USER MOD Single : A 31 HIS :FLIP no HE2:sc= 0.416 F(o=-1.4!,f=0.42) USER MOD Single : B 64 SER OG : rot 180:sc= -0.114 USER MOD Single : B 67 THR OG1 : rot 180:sc= -0.0847 USER MOD Single : B 91 HIS :FLIP no HE2:sc= 0.418 F(o=-1.4,f=0.42) USER MOD ----------------------------------------------------------------- ATOM 25 N ILE A 2 -1.254 -0.799 -30.647 1.00 0.00 N ATOM 26 CA ILE A 2 -1.622 -1.382 -29.358 1.00 0.00 C ATOM 27 C ILE A 2 -2.657 -0.516 -28.635 1.00 0.00 C ATOM 28 O ILE A 2 -2.640 0.710 -28.760 1.00 0.00 O ATOM 29 CB ILE A 2 -0.389 -1.582 -28.440 1.00 0.00 C ATOM 30 CG1 ILE A 2 0.551 -0.368 -28.490 1.00 0.00 C ATOM 31 CG2 ILE A 2 0.359 -2.848 -28.830 1.00 0.00 C ATOM 32 CD1 ILE A 2 0.292 0.649 -27.399 1.00 0.00 C ATOM 0 HA ILE A 2 -2.056 -2.359 -29.572 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.747 -1.683 -27.416 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.582 -0.715 -28.414 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.449 0.119 -29.460 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.222 -2.976 -28.177 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -0.303 -3.708 -28.729 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.694 -2.768 -29.864 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.994 1.477 -27.499 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.727 1.025 -27.487 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.423 0.178 -26.425 1.00 0.00 H new ATOM 44 N PRO A 3 -3.576 -1.146 -27.864 1.00 0.00 N ATOM 45 CA PRO A 3 -4.620 -0.421 -27.121 1.00 0.00 C ATOM 46 C PRO A 3 -4.057 0.399 -25.959 1.00 0.00 C ATOM 47 O PRO A 3 -3.164 -0.057 -25.241 1.00 0.00 O ATOM 48 CB PRO A 3 -5.526 -1.540 -26.596 1.00 0.00 C ATOM 49 CG PRO A 3 -4.667 -2.755 -26.549 1.00 0.00 C ATOM 50 CD PRO A 3 -3.673 -2.610 -27.668 1.00 0.00 C ATOM 0 HA PRO A 3 -5.133 0.304 -27.752 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.918 -1.297 -25.608 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.384 -1.691 -27.251 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.161 -2.837 -25.587 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.264 -3.659 -26.673 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -2.708 -3.044 -27.405 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -4.013 -3.114 -28.573 1.00 0.00 H new ATOM 58 N SER A 4 -4.588 1.610 -25.785 1.00 0.00 N ATOM 59 CA SER A 4 -4.148 2.506 -24.714 1.00 0.00 C ATOM 60 C SER A 4 -4.795 2.141 -23.376 1.00 0.00 C ATOM 61 O SER A 4 -4.442 2.700 -22.335 1.00 0.00 O ATOM 62 CB SER A 4 -4.478 3.957 -25.073 1.00 0.00 C ATOM 63 OG SER A 4 -3.831 4.346 -26.273 1.00 0.00 O ATOM 0 H SER A 4 -5.326 1.994 -26.374 1.00 0.00 H new ATOM 0 HA SER A 4 -3.069 2.394 -24.609 1.00 0.00 H new ATOM 0 HB2 SER A 4 -5.556 4.071 -25.184 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.170 4.615 -24.260 1.00 0.00 H new ATOM 0 HG SER A 4 -4.059 5.276 -26.481 1.00 0.00 H new ATOM 69 N ILE A 5 -5.740 1.199 -23.412 1.00 0.00 N ATOM 70 CA ILE A 5 -6.441 0.754 -22.205 1.00 0.00 C ATOM 71 C ILE A 5 -5.625 -0.298 -21.449 1.00 0.00 C ATOM 72 O ILE A 5 -5.675 -0.366 -20.219 1.00 0.00 O ATOM 73 CB ILE A 5 -7.840 0.171 -22.536 1.00 0.00 C ATOM 74 CG1 ILE A 5 -8.560 1.034 -23.578 1.00 0.00 C ATOM 75 CG2 ILE A 5 -8.690 0.063 -21.274 1.00 0.00 C ATOM 76 CD1 ILE A 5 -8.428 0.511 -24.994 1.00 0.00 C ATOM 0 H ILE A 5 -6.038 0.728 -24.266 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.568 1.634 -21.575 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.696 -0.827 -22.951 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -9.617 1.095 -23.319 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.162 2.048 -23.535 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -9.667 -0.348 -21.528 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.195 -0.593 -20.557 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.816 1.052 -20.834 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.962 1.171 -25.677 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.375 0.476 -25.272 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.852 -0.491 -25.053 1.00 0.00 H new ATOM 88 N ALA A 6 -4.873 -1.110 -22.194 1.00 0.00 N ATOM 89 CA ALA A 6 -4.044 -2.161 -21.603 1.00 0.00 C ATOM 90 C ALA A 6 -2.693 -1.617 -21.138 1.00 0.00 C ATOM 91 O ALA A 6 -2.095 -2.143 -20.197 1.00 0.00 O ATOM 92 CB ALA A 6 -3.842 -3.293 -22.598 1.00 0.00 C ATOM 0 H ALA A 6 -4.821 -1.059 -23.211 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.567 -2.544 -20.727 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.224 -4.069 -22.146 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.810 -3.714 -22.872 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.348 -2.909 -23.491 1.00 0.00 H new ATOM 98 N THR A 7 -2.224 -0.556 -21.802 1.00 0.00 N ATOM 99 CA THR A 7 -0.940 0.068 -21.470 1.00 0.00 C ATOM 100 C THR A 7 -0.955 0.671 -20.062 1.00 0.00 C ATOM 101 O THR A 7 0.073 0.707 -19.384 1.00 0.00 O ATOM 102 CB THR A 7 -0.574 1.168 -22.491 1.00 0.00 C ATOM 103 OG1 THR A 7 -1.067 0.817 -23.790 1.00 0.00 O ATOM 104 CG2 THR A 7 0.934 1.371 -22.561 1.00 0.00 C ATOM 0 H THR A 7 -2.717 -0.110 -22.576 1.00 0.00 H new ATOM 0 HA THR A 7 -0.188 -0.720 -21.507 1.00 0.00 H new ATOM 0 HB THR A 7 -1.036 2.099 -22.162 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.832 1.521 -24.430 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.163 2.151 -23.287 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.307 1.667 -21.581 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.413 0.440 -22.865 1.00 0.00 H new ATOM 112 N GLY A 8 -2.128 1.146 -19.634 1.00 0.00 N ATOM 113 CA GLY A 8 -2.265 1.731 -18.307 1.00 0.00 C ATOM 114 C GLY A 8 -2.446 0.676 -17.230 1.00 0.00 C ATOM 115 O GLY A 8 -1.850 0.765 -16.149 1.00 0.00 O ATOM 0 H GLY A 8 -2.986 1.135 -20.185 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.382 2.329 -18.083 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.119 2.408 -18.297 1.00 0.00 H new ATOM 119 N LEU A 9 -3.265 -0.333 -17.538 1.00 0.00 N ATOM 120 CA LEU A 9 -3.541 -1.426 -16.607 1.00 0.00 C ATOM 121 C LEU A 9 -2.270 -2.201 -16.274 1.00 0.00 C ATOM 122 O LEU A 9 -2.025 -2.530 -15.116 1.00 0.00 O ATOM 123 CB LEU A 9 -4.587 -2.381 -17.196 1.00 0.00 C ATOM 124 CG LEU A 9 -5.995 -1.795 -17.364 1.00 0.00 C ATOM 125 CD1 LEU A 9 -6.775 -2.577 -18.410 1.00 0.00 C ATOM 126 CD2 LEU A 9 -6.741 -1.796 -16.036 1.00 0.00 C ATOM 0 H LEU A 9 -3.751 -0.414 -18.431 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.930 -0.987 -15.688 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.235 -2.721 -18.170 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.652 -3.260 -16.555 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.897 -0.763 -17.702 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.771 -2.148 -18.517 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.254 -2.526 -19.366 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.860 -3.618 -18.098 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.737 -1.376 -16.178 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.827 -2.818 -15.668 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.194 -1.194 -15.311 1.00 0.00 H new ATOM 138 N VAL A 10 -1.457 -2.479 -17.292 1.00 0.00 N ATOM 139 CA VAL A 10 -0.210 -3.222 -17.099 1.00 0.00 C ATOM 140 C VAL A 10 0.745 -2.487 -16.157 1.00 0.00 C ATOM 141 O VAL A 10 1.396 -3.102 -15.313 1.00 0.00 O ATOM 142 CB VAL A 10 0.498 -3.523 -18.445 1.00 0.00 C ATOM 143 CG1 VAL A 10 -0.338 -4.485 -19.277 1.00 0.00 C ATOM 144 CG2 VAL A 10 0.780 -2.245 -19.231 1.00 0.00 C ATOM 0 H VAL A 10 -1.638 -2.202 -18.257 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.484 -4.172 -16.639 1.00 0.00 H new ATOM 0 HB VAL A 10 1.457 -3.989 -18.219 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.171 -4.688 -20.219 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.472 -5.418 -18.729 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.312 -4.039 -19.479 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.277 -2.496 -20.168 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.159 -1.734 -19.444 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.424 -1.591 -18.643 1.00 0.00 H new ATOM 154 N GLY A 11 0.791 -1.165 -16.293 1.00 0.00 N ATOM 155 CA GLY A 11 1.658 -0.347 -15.455 1.00 0.00 C ATOM 156 C GLY A 11 1.217 -0.322 -14.003 1.00 0.00 C ATOM 157 O GLY A 11 2.028 -0.541 -13.100 1.00 0.00 O ATOM 0 H GLY A 11 0.240 -0.640 -16.973 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.678 -0.728 -15.514 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.675 0.672 -15.843 1.00 0.00 H new ATOM 161 N ALA A 12 -0.076 -0.076 -13.781 1.00 0.00 N ATOM 162 CA ALA A 12 -0.622 -0.006 -12.425 1.00 0.00 C ATOM 163 C ALA A 12 -0.753 -1.378 -11.776 1.00 0.00 C ATOM 164 O ALA A 12 -0.416 -1.544 -10.604 1.00 0.00 O ATOM 165 CB ALA A 12 -1.966 0.706 -12.432 1.00 0.00 C ATOM 0 H ALA A 12 -0.762 0.077 -14.520 1.00 0.00 H new ATOM 0 HA ALA A 12 0.087 0.565 -11.825 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.360 0.750 -11.417 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.840 1.718 -12.817 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.663 0.161 -13.068 1.00 0.00 H new ATOM 171 N LEU A 13 -1.237 -2.357 -12.534 1.00 0.00 N ATOM 172 CA LEU A 13 -1.408 -3.711 -12.014 1.00 0.00 C ATOM 173 C LEU A 13 -0.056 -4.341 -11.673 1.00 0.00 C ATOM 174 O LEU A 13 0.078 -5.019 -10.651 1.00 0.00 O ATOM 175 CB LEU A 13 -2.175 -4.576 -13.019 1.00 0.00 C ATOM 176 CG LEU A 13 -3.707 -4.466 -12.942 1.00 0.00 C ATOM 177 CD1 LEU A 13 -4.184 -3.076 -13.357 1.00 0.00 C ATOM 178 CD2 LEU A 13 -4.356 -5.530 -13.813 1.00 0.00 C ATOM 0 H LEU A 13 -1.517 -2.240 -13.508 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.991 -3.654 -11.095 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.857 -4.304 -14.025 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.893 -5.618 -12.867 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.005 -4.627 -11.906 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.271 -3.030 -13.292 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.749 -2.329 -12.693 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.873 -2.876 -14.382 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.440 -5.441 -13.749 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.041 -5.395 -14.848 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.052 -6.518 -13.467 1.00 0.00 H new ATOM 190 N LEU A 14 0.948 -4.103 -12.525 1.00 0.00 N ATOM 191 CA LEU A 14 2.289 -4.637 -12.290 1.00 0.00 C ATOM 192 C LEU A 14 2.979 -3.903 -11.144 1.00 0.00 C ATOM 193 O LEU A 14 3.650 -4.524 -10.316 1.00 0.00 O ATOM 194 CB LEU A 14 3.141 -4.551 -13.562 1.00 0.00 C ATOM 195 CG LEU A 14 3.215 -5.841 -14.387 1.00 0.00 C ATOM 196 CD1 LEU A 14 1.941 -6.041 -15.197 1.00 0.00 C ATOM 197 CD2 LEU A 14 4.429 -5.813 -15.304 1.00 0.00 C ATOM 0 H LEU A 14 0.856 -3.548 -13.376 1.00 0.00 H new ATOM 0 HA LEU A 14 2.183 -5.686 -12.012 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.743 -3.757 -14.194 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.153 -4.259 -13.283 1.00 0.00 H new ATOM 0 HG LEU A 14 3.315 -6.681 -13.700 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.018 -6.963 -15.774 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.087 -6.105 -14.522 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.805 -5.199 -15.875 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.469 -6.735 -15.884 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.354 -4.962 -15.981 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.335 -5.722 -14.705 1.00 0.00 H new ATOM 209 N LEU A 15 2.793 -2.583 -11.087 1.00 0.00 N ATOM 210 CA LEU A 15 3.397 -1.773 -10.029 1.00 0.00 C ATOM 211 C LEU A 15 2.730 -2.061 -8.686 1.00 0.00 C ATOM 212 O LEU A 15 3.400 -2.140 -7.653 1.00 0.00 O ATOM 213 CB LEU A 15 3.297 -0.280 -10.360 1.00 0.00 C ATOM 214 CG LEU A 15 4.621 0.396 -10.731 1.00 0.00 C ATOM 215 CD1 LEU A 15 4.819 0.396 -12.239 1.00 0.00 C ATOM 216 CD2 LEU A 15 4.669 1.816 -10.186 1.00 0.00 C ATOM 0 H LEU A 15 2.233 -2.055 -11.756 1.00 0.00 H new ATOM 0 HA LEU A 15 4.451 -2.040 -9.960 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.599 -0.154 -11.187 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.871 0.238 -9.501 1.00 0.00 H new ATOM 0 HG LEU A 15 5.433 -0.173 -10.279 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.765 0.880 -12.482 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.833 -0.631 -12.604 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.001 0.939 -12.713 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.617 2.279 -10.460 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.847 2.395 -10.607 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.577 1.792 -9.100 1.00 0.00 H new ATOM 228 N LEU A 16 1.407 -2.236 -8.715 1.00 0.00 N ATOM 229 CA LEU A 16 0.636 -2.532 -7.509 1.00 0.00 C ATOM 230 C LEU A 16 0.940 -3.943 -7.010 1.00 0.00 C ATOM 231 O LEU A 16 0.961 -4.191 -5.804 1.00 0.00 O ATOM 232 CB LEU A 16 -0.864 -2.388 -7.786 1.00 0.00 C ATOM 233 CG LEU A 16 -1.706 -1.898 -6.604 1.00 0.00 C ATOM 234 CD1 LEU A 16 -2.876 -1.061 -7.097 1.00 0.00 C ATOM 235 CD2 LEU A 16 -2.205 -3.075 -5.778 1.00 0.00 C ATOM 0 H LEU A 16 0.847 -2.177 -9.565 1.00 0.00 H new ATOM 0 HA LEU A 16 0.923 -1.818 -6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.998 -1.696 -8.617 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.251 -3.354 -8.110 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.077 -1.274 -5.969 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.464 -0.721 -6.245 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.500 -0.198 -7.646 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.503 -1.664 -7.754 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.801 -2.707 -4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.818 -3.724 -6.403 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.354 -3.638 -5.396 1.00 0.00 H new ATOM 247 N LEU A 17 1.179 -4.862 -7.951 1.00 0.00 N ATOM 248 CA LEU A 17 1.495 -6.250 -7.618 1.00 0.00 C ATOM 249 C LEU A 17 2.878 -6.360 -6.971 1.00 0.00 C ATOM 250 O LEU A 17 3.055 -7.088 -5.991 1.00 0.00 O ATOM 251 CB LEU A 17 1.432 -7.124 -8.877 1.00 0.00 C ATOM 252 CG LEU A 17 1.165 -8.613 -8.630 1.00 0.00 C ATOM 253 CD1 LEU A 17 -0.330 -8.890 -8.579 1.00 0.00 C ATOM 254 CD2 LEU A 17 1.828 -9.457 -9.707 1.00 0.00 C ATOM 0 H LEU A 17 1.159 -4.666 -8.952 1.00 0.00 H new ATOM 0 HA LEU A 17 0.754 -6.603 -6.900 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.650 -6.735 -9.530 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.375 -7.026 -9.415 1.00 0.00 H new ATOM 0 HG LEU A 17 1.595 -8.883 -7.665 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.497 -9.953 -8.403 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.780 -8.313 -7.771 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.786 -8.603 -9.527 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.629 -10.512 -9.517 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.427 -9.182 -10.683 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.904 -9.283 -9.695 1.00 0.00 H new ATOM 266 N VAL A 18 3.853 -5.624 -7.519 1.00 0.00 N ATOM 267 CA VAL A 18 5.222 -5.636 -6.991 1.00 0.00 C ATOM 268 C VAL A 18 5.290 -4.961 -5.617 1.00 0.00 C ATOM 269 O VAL A 18 5.951 -5.464 -4.705 1.00 0.00 O ATOM 270 CB VAL A 18 6.215 -4.941 -7.959 1.00 0.00 C ATOM 271 CG1 VAL A 18 7.627 -4.926 -7.383 1.00 0.00 C ATOM 272 CG2 VAL A 18 6.210 -5.627 -9.318 1.00 0.00 C ATOM 0 H VAL A 18 3.719 -5.014 -8.326 1.00 0.00 H new ATOM 0 HA VAL A 18 5.512 -6.682 -6.889 1.00 0.00 H new ATOM 0 HB VAL A 18 5.887 -3.909 -8.086 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.301 -4.433 -8.084 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.628 -4.385 -6.437 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.963 -5.949 -7.216 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.913 -5.124 -9.982 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.504 -6.670 -9.200 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.209 -5.579 -9.746 1.00 0.00 H new ATOM 282 N VAL A 19 4.599 -3.825 -5.474 1.00 0.00 N ATOM 283 CA VAL A 19 4.580 -3.086 -4.207 1.00 0.00 C ATOM 284 C VAL A 19 3.814 -3.862 -3.129 1.00 0.00 C ATOM 285 O VAL A 19 4.226 -3.891 -1.968 1.00 0.00 O ATOM 286 CB VAL A 19 3.958 -1.676 -4.375 1.00 0.00 C ATOM 287 CG1 VAL A 19 3.872 -0.948 -3.037 1.00 0.00 C ATOM 288 CG2 VAL A 19 4.761 -0.850 -5.371 1.00 0.00 C ATOM 0 H VAL A 19 4.047 -3.398 -6.218 1.00 0.00 H new ATOM 0 HA VAL A 19 5.617 -2.969 -3.893 1.00 0.00 H new ATOM 0 HB VAL A 19 2.946 -1.804 -4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.432 0.038 -3.187 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.251 -1.522 -2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.872 -0.839 -2.617 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.308 0.136 -5.475 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.785 -0.743 -5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.765 -1.351 -6.339 1.00 0.00 H new ATOM 298 N ALA A 20 2.706 -4.493 -3.524 1.00 0.00 N ATOM 299 CA ALA A 20 1.888 -5.272 -2.592 1.00 0.00 C ATOM 300 C ALA A 20 2.599 -6.556 -2.167 1.00 0.00 C ATOM 301 O ALA A 20 2.491 -6.981 -1.015 1.00 0.00 O ATOM 302 CB ALA A 20 0.539 -5.598 -3.215 1.00 0.00 C ATOM 0 H ALA A 20 2.355 -4.480 -4.482 1.00 0.00 H new ATOM 0 HA ALA A 20 1.729 -4.665 -1.701 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.057 -6.177 -2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.017 -4.672 -3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.689 -6.178 -4.125 1.00 0.00 H new ATOM 308 N LEU A 21 3.331 -7.163 -3.105 1.00 0.00 N ATOM 309 CA LEU A 21 4.070 -8.397 -2.836 1.00 0.00 C ATOM 310 C LEU A 21 5.261 -8.133 -1.910 1.00 0.00 C ATOM 311 O LEU A 21 5.489 -8.877 -0.954 1.00 0.00 O ATOM 312 CB LEU A 21 4.551 -9.024 -4.148 1.00 0.00 C ATOM 313 CG LEU A 21 4.695 -10.548 -4.131 1.00 0.00 C ATOM 314 CD1 LEU A 21 3.391 -11.216 -4.544 1.00 0.00 C ATOM 315 CD2 LEU A 21 5.831 -10.985 -5.043 1.00 0.00 C ATOM 0 H LEU A 21 3.427 -6.818 -4.060 1.00 0.00 H new ATOM 0 HA LEU A 21 3.397 -9.093 -2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.853 -8.750 -4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.515 -8.587 -4.408 1.00 0.00 H new ATOM 0 HG LEU A 21 4.930 -10.859 -3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.515 -12.299 -4.525 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.600 -10.929 -3.851 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.123 -10.899 -5.552 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.920 -12.071 -5.019 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.624 -10.660 -6.063 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.764 -10.537 -4.702 1.00 0.00 H new ATOM 327 N GLY A 22 6.007 -7.061 -2.197 1.00 0.00 N ATOM 328 CA GLY A 22 7.163 -6.708 -1.385 1.00 0.00 C ATOM 329 C GLY A 22 6.774 -6.211 -0.004 1.00 0.00 C ATOM 330 O GLY A 22 7.209 -6.763 1.008 1.00 0.00 O ATOM 0 H GLY A 22 5.829 -6.431 -2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.812 -7.578 -1.285 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.740 -5.937 -1.896 1.00 0.00 H new ATOM 334 N ILE A 23 5.938 -5.169 0.033 1.00 0.00 N ATOM 335 CA ILE A 23 5.473 -4.592 1.296 1.00 0.00 C ATOM 336 C ILE A 23 4.630 -5.607 2.075 1.00 0.00 C ATOM 337 O ILE A 23 4.716 -5.688 3.304 1.00 0.00 O ATOM 338 CB ILE A 23 4.649 -3.294 1.057 1.00 0.00 C ATOM 339 CG1 ILE A 23 5.449 -2.272 0.221 1.00 0.00 C ATOM 340 CG2 ILE A 23 4.206 -2.673 2.379 1.00 0.00 C ATOM 341 CD1 ILE A 23 6.787 -1.866 0.816 1.00 0.00 C ATOM 0 H ILE A 23 5.570 -4.708 -0.799 1.00 0.00 H new ATOM 0 HA ILE A 23 6.355 -4.335 1.883 1.00 0.00 H new ATOM 0 HB ILE A 23 3.757 -3.570 0.494 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.621 -2.691 -0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.841 -1.377 0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.632 -1.768 2.181 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.586 -3.384 2.925 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.083 -2.424 2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.274 -1.146 0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.628 -1.413 1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.420 -2.747 0.923 1.00 0.00 H new ATOM 353 N GLY A 24 3.827 -6.389 1.344 1.00 0.00 N ATOM 354 CA GLY A 24 2.985 -7.399 1.968 1.00 0.00 C ATOM 355 C GLY A 24 3.797 -8.499 2.629 1.00 0.00 C ATOM 356 O GLY A 24 3.528 -8.874 3.772 1.00 0.00 O ATOM 0 H GLY A 24 3.747 -6.338 0.328 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.345 -6.926 2.713 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.329 -7.837 1.216 1.00 0.00 H new ATOM 360 N LEU A 25 4.802 -9.008 1.909 1.00 0.00 N ATOM 361 CA LEU A 25 5.670 -10.063 2.431 1.00 0.00 C ATOM 362 C LEU A 25 6.623 -9.513 3.491 1.00 0.00 C ATOM 363 O LEU A 25 7.109 -10.256 4.346 1.00 0.00 O ATOM 364 CB LEU A 25 6.471 -10.713 1.297 1.00 0.00 C ATOM 365 CG LEU A 25 5.672 -11.637 0.372 1.00 0.00 C ATOM 366 CD1 LEU A 25 6.378 -11.787 -0.966 1.00 0.00 C ATOM 367 CD2 LEU A 25 5.466 -13.001 1.017 1.00 0.00 C ATOM 0 H LEU A 25 5.033 -8.705 0.963 1.00 0.00 H new ATOM 0 HA LEU A 25 5.035 -10.818 2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.920 -9.924 0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.289 -11.285 1.735 1.00 0.00 H new ATOM 0 HG LEU A 25 4.694 -11.187 0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.798 -12.446 -1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.474 -10.809 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.369 -12.213 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.896 -13.640 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.435 -13.458 1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.919 -12.882 1.952 1.00 0.00 H new ATOM 379 N PHE A 26 6.886 -8.203 3.427 1.00 0.00 N ATOM 380 CA PHE A 26 7.774 -7.542 4.383 1.00 0.00 C ATOM 381 C PHE A 26 7.102 -7.391 5.749 1.00 0.00 C ATOM 382 O PHE A 26 7.745 -7.570 6.785 1.00 0.00 O ATOM 383 CB PHE A 26 8.199 -6.170 3.855 1.00 0.00 C ATOM 384 CG PHE A 26 9.632 -6.115 3.408 1.00 0.00 C ATOM 385 CD1 PHE A 26 9.976 -6.414 2.099 1.00 0.00 C ATOM 386 CD2 PHE A 26 10.636 -5.764 4.297 1.00 0.00 C ATOM 387 CE1 PHE A 26 11.294 -6.364 1.685 1.00 0.00 C ATOM 388 CE2 PHE A 26 11.956 -5.712 3.890 1.00 0.00 C ATOM 389 CZ PHE A 26 12.285 -6.013 2.582 1.00 0.00 C ATOM 0 H PHE A 26 6.494 -7.580 2.720 1.00 0.00 H new ATOM 0 HA PHE A 26 8.659 -8.167 4.505 1.00 0.00 H new ATOM 0 HB2 PHE A 26 7.556 -5.897 3.019 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.042 -5.425 4.635 1.00 0.00 H new ATOM 0 HD1 PHE A 26 9.205 -6.689 1.394 1.00 0.00 H new ATOM 0 HD2 PHE A 26 10.384 -5.528 5.320 1.00 0.00 H new ATOM 0 HE1 PHE A 26 11.549 -6.599 0.662 1.00 0.00 H new ATOM 0 HE2 PHE A 26 12.729 -5.437 4.593 1.00 0.00 H new ATOM 0 HZ PHE A 26 13.315 -5.974 2.261 1.00 0.00 H new ATOM 399 N ILE A 27 5.806 -7.059 5.744 1.00 0.00 N ATOM 400 CA ILE A 27 5.049 -6.892 6.987 1.00 0.00 C ATOM 401 C ILE A 27 4.546 -8.239 7.516 1.00 0.00 C ATOM 402 O ILE A 27 4.463 -8.443 8.728 1.00 0.00 O ATOM 403 CB ILE A 27 3.843 -5.934 6.807 1.00 0.00 C ATOM 404 CG1 ILE A 27 4.291 -4.617 6.159 1.00 0.00 C ATOM 405 CG2 ILE A 27 3.171 -5.660 8.153 1.00 0.00 C ATOM 406 CD1 ILE A 27 3.174 -3.868 5.459 1.00 0.00 C ATOM 0 H ILE A 27 5.262 -6.901 4.896 1.00 0.00 H new ATOM 0 HA ILE A 27 5.737 -6.454 7.710 1.00 0.00 H new ATOM 0 HB ILE A 27 3.120 -6.415 6.148 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.722 -3.974 6.926 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.081 -4.828 5.439 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.327 -4.986 8.008 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.817 -6.598 8.581 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.890 -5.200 8.832 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.568 -2.948 5.026 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.757 -4.492 4.668 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.392 -3.624 6.179 1.00 0.00 H new ATOM 418 N ARG A 28 4.216 -9.154 6.598 1.00 0.00 N ATOM 419 CA ARG A 28 3.720 -10.484 6.971 1.00 0.00 C ATOM 420 C ARG A 28 4.800 -11.314 7.669 1.00 0.00 C ATOM 421 O ARG A 28 4.489 -12.211 8.455 1.00 0.00 O ATOM 422 CB ARG A 28 3.213 -11.227 5.732 1.00 0.00 C ATOM 423 CG ARG A 28 1.805 -10.833 5.319 1.00 0.00 C ATOM 424 CD ARG A 28 1.351 -11.598 4.088 1.00 0.00 C ATOM 425 NE ARG A 28 -0.004 -11.227 3.680 1.00 0.00 N ATOM 426 CZ ARG A 28 -0.640 -11.752 2.630 1.00 0.00 C ATOM 427 NH1 ARG A 28 -0.051 -12.675 1.876 1.00 0.00 N ATOM 428 NH2 ARG A 28 -1.870 -11.353 2.336 1.00 0.00 N ATOM 0 H ARG A 28 4.283 -8.998 5.592 1.00 0.00 H new ATOM 0 HA ARG A 28 2.897 -10.344 7.672 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.893 -11.037 4.901 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.239 -12.299 5.926 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.116 -11.024 6.142 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.770 -9.763 5.117 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.042 -11.406 3.267 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.388 -12.668 4.292 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.494 -10.523 4.232 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.894 -12.988 2.098 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.544 -13.071 1.076 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.328 -10.646 2.912 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.358 -11.753 1.534 1.00 0.00 H new ATOM 442 N ARG A 29 6.064 -11.007 7.376 1.00 0.00 N ATOM 443 CA ARG A 29 7.196 -11.717 7.974 1.00 0.00 C ATOM 444 C ARG A 29 7.521 -11.176 9.368 1.00 0.00 C ATOM 445 O ARG A 29 8.199 -11.839 10.155 1.00 0.00 O ATOM 446 CB ARG A 29 8.429 -11.610 7.075 1.00 0.00 C ATOM 447 CG ARG A 29 8.399 -12.555 5.884 1.00 0.00 C ATOM 448 CD ARG A 29 9.644 -12.406 5.024 1.00 0.00 C ATOM 449 NE ARG A 29 9.627 -13.310 3.874 1.00 0.00 N ATOM 450 CZ ARG A 29 10.600 -13.382 2.963 1.00 0.00 C ATOM 451 NH1 ARG A 29 11.674 -12.606 3.061 1.00 0.00 N ATOM 452 NH2 ARG A 29 10.497 -14.234 1.953 1.00 0.00 N ATOM 0 H ARG A 29 6.331 -10.268 6.725 1.00 0.00 H new ATOM 0 HA ARG A 29 6.913 -12.765 8.072 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.516 -10.586 6.713 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.320 -11.815 7.669 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.319 -13.584 6.236 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.513 -12.355 5.281 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.722 -11.376 4.675 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.529 -12.605 5.629 1.00 0.00 H new ATOM 0 HE ARG A 29 8.821 -13.924 3.761 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.759 -11.949 3.837 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.413 -12.667 2.361 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.675 -14.833 1.873 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.239 -14.291 1.256 1.00 0.00 H new ATOM 466 N ARG A 30 7.031 -9.970 9.661 1.00 0.00 N ATOM 467 CA ARG A 30 7.266 -9.327 10.957 1.00 0.00 C ATOM 468 C ARG A 30 6.301 -9.844 12.026 1.00 0.00 C ATOM 469 O ARG A 30 6.578 -9.738 13.223 1.00 0.00 O ATOM 470 CB ARG A 30 7.131 -7.808 10.828 1.00 0.00 C ATOM 471 CG ARG A 30 8.300 -7.148 10.115 1.00 0.00 C ATOM 472 CD ARG A 30 8.113 -5.642 10.013 1.00 0.00 C ATOM 473 NE ARG A 30 9.232 -4.995 9.329 1.00 0.00 N ATOM 474 CZ ARG A 30 9.315 -3.683 9.105 1.00 0.00 C ATOM 475 NH1 ARG A 30 8.347 -2.867 9.509 1.00 0.00 N ATOM 476 NH2 ARG A 30 10.370 -3.185 8.476 1.00 0.00 N ATOM 0 H ARG A 30 6.467 -9.416 9.016 1.00 0.00 H new ATOM 0 HA ARG A 30 8.280 -9.576 11.268 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.212 -7.579 10.289 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.033 -7.375 11.824 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.224 -7.365 10.651 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.404 -7.571 9.116 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.188 -5.427 9.478 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.008 -5.221 11.013 1.00 0.00 H new ATOM 0 HE ARG A 30 9.998 -5.585 9.003 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.533 -3.243 9.995 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.419 -1.865 9.334 1.00 0.00 H new ATOM 0 HH21 ARG A 30 11.117 -3.805 8.164 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.435 -2.182 8.304 1.00 0.00 H new ATOM 490 N HIS A 31 5.170 -10.401 11.586 1.00 0.00 N ATOM 491 CA HIS A 31 4.157 -10.935 12.503 1.00 0.00 C ATOM 492 C HIS A 31 4.635 -12.215 13.190 1.00 0.00 C ATOM 493 O HIS A 31 4.218 -12.517 14.310 1.00 0.00 O ATOM 494 CB HIS A 31 2.853 -11.206 11.751 1.00 0.00 C ATOM 495 CG HIS A 31 2.051 -9.971 11.478 1.00 0.00 C ATOM 496 ND1 HIS A 31 2.122 -9.073 10.466 1.00 0.00 N flip ATOM 497 CD2 HIS A 31 1.032 -9.539 12.300 1.00 0.00 C flip ATOM 498 CE1 HIS A 31 1.154 -8.126 10.694 1.00 0.00 C flip ATOM 499 NE2 HIS A 31 0.510 -8.429 11.806 1.00 0.00 N flip ATOM 0 H HIS A 31 4.931 -10.495 10.599 1.00 0.00 H new ATOM 0 HA HIS A 31 3.983 -10.184 13.274 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.084 -11.696 10.805 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.247 -11.902 12.331 1.00 0.00 H new ATOM 0 HD1 HIS A 31 2.773 -9.096 9.681 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.710 -10.031 13.206 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.952 -7.271 10.065 1.00 0.00 H new ATOM 508 N ILE A 32 5.509 -12.962 12.512 1.00 0.00 N ATOM 509 CA ILE A 32 6.047 -14.212 13.057 1.00 0.00 C ATOM 510 C ILE A 32 7.229 -13.942 13.993 1.00 0.00 C ATOM 511 O ILE A 32 7.530 -14.750 14.873 1.00 0.00 O ATOM 512 CB ILE A 32 6.496 -15.184 11.935 1.00 0.00 C ATOM 513 CG1 ILE A 32 5.482 -15.189 10.783 1.00 0.00 C ATOM 514 CG2 ILE A 32 6.672 -16.594 12.490 1.00 0.00 C ATOM 515 CD1 ILE A 32 6.109 -15.399 9.420 1.00 0.00 C ATOM 0 H ILE A 32 5.860 -12.724 11.584 1.00 0.00 H new ATOM 0 HA ILE A 32 5.240 -14.680 13.620 1.00 0.00 H new ATOM 0 HB ILE A 32 7.455 -14.839 11.548 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.748 -15.975 10.960 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.942 -14.242 10.782 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.987 -17.263 11.690 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.429 -16.584 13.274 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.726 -16.943 12.903 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.331 -15.391 8.656 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.822 -14.599 9.220 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.626 -16.359 9.401 1.00 0.00 H new ATOM 627 N LEU A 38 1.309 -7.628 22.389 1.00 0.00 N ATOM 628 CA LEU A 38 0.705 -6.380 21.926 1.00 0.00 C ATOM 629 C LEU A 38 -0.730 -6.624 21.468 1.00 0.00 C ATOM 630 O LEU A 38 -1.499 -5.689 21.271 1.00 0.00 O ATOM 631 CB LEU A 38 1.533 -5.773 20.787 1.00 0.00 C ATOM 632 CG LEU A 38 1.448 -4.246 20.660 1.00 0.00 C ATOM 633 CD1 LEU A 38 2.315 -3.563 21.712 1.00 0.00 C ATOM 634 CD2 LEU A 38 1.861 -3.809 19.263 1.00 0.00 C ATOM 0 HA LEU A 38 0.690 -5.674 22.756 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.577 -6.052 20.929 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.209 -6.218 19.846 1.00 0.00 H new ATOM 0 HG LEU A 38 0.414 -3.946 20.828 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.238 -2.481 21.601 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.975 -3.851 22.707 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.353 -3.868 21.581 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.796 -2.724 19.187 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.886 -4.125 19.071 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.197 -4.264 18.528 1.00 0.00 H new ATOM 646 N ARG A 39 -1.049 -7.903 21.298 1.00 0.00 N ATOM 647 CA ARG A 39 -2.363 -8.365 20.882 1.00 0.00 C ATOM 648 C ARG A 39 -3.126 -8.781 22.122 1.00 0.00 C ATOM 649 O ARG A 39 -4.346 -8.626 22.210 1.00 0.00 O ATOM 650 CB ARG A 39 -2.242 -9.538 19.907 1.00 0.00 C ATOM 651 CG ARG A 39 -1.880 -9.118 18.492 1.00 0.00 C ATOM 652 CD ARG A 39 -1.512 -10.317 17.631 1.00 0.00 C ATOM 653 NE ARG A 39 -0.138 -10.760 17.864 1.00 0.00 N ATOM 654 CZ ARG A 39 0.614 -11.378 16.952 1.00 0.00 C ATOM 655 NH1 ARG A 39 0.131 -11.636 15.741 1.00 0.00 N ATOM 656 NH2 ARG A 39 1.853 -11.742 17.252 1.00 0.00 N ATOM 0 H ARG A 39 -0.384 -8.662 21.450 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.893 -7.565 20.365 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.485 -10.230 20.276 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.187 -10.081 19.885 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.721 -8.590 18.042 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.044 -8.420 18.521 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.198 -11.138 17.841 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.636 -10.059 16.579 1.00 0.00 H new ATOM 0 HE ARG A 39 0.271 -10.585 18.782 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.822 -11.361 15.503 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.713 -12.109 15.050 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.231 -11.549 18.180 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.429 -12.215 16.555 1.00 0.00 H new ATOM 670 N ARG A 40 -2.368 -9.317 23.087 1.00 0.00 N ATOM 671 CA ARG A 40 -2.926 -9.732 24.369 1.00 0.00 C ATOM 672 C ARG A 40 -3.189 -8.485 25.197 1.00 0.00 C ATOM 673 O ARG A 40 -3.995 -8.490 26.128 1.00 0.00 O ATOM 674 CB ARG A 40 -1.969 -10.671 25.107 1.00 0.00 C ATOM 675 CG ARG A 40 -1.976 -12.095 24.571 1.00 0.00 C ATOM 676 CD ARG A 40 -1.009 -12.986 25.335 1.00 0.00 C ATOM 677 NE ARG A 40 -1.518 -13.343 26.660 1.00 0.00 N ATOM 678 CZ ARG A 40 -0.863 -14.114 27.531 1.00 0.00 C ATOM 679 NH1 ARG A 40 0.329 -14.615 27.226 1.00 0.00 N ATOM 680 NH2 ARG A 40 -1.403 -14.384 28.711 1.00 0.00 N ATOM 0 H ARG A 40 -1.364 -9.472 22.998 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.855 -10.279 24.204 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.957 -10.271 25.039 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.234 -10.689 26.164 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.983 -12.506 24.641 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.708 -12.088 23.515 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.824 -13.894 24.762 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.052 -12.475 25.440 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.431 -12.980 26.935 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.751 -14.412 26.320 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.822 -15.203 27.898 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.318 -14.003 28.952 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.904 -14.973 29.378 1.00 0.00 H new ATOM 694 N LEU A 41 -2.478 -7.418 24.829 1.00 0.00 N ATOM 695 CA LEU A 41 -2.617 -6.121 25.461 1.00 0.00 C ATOM 696 C LEU A 41 -3.395 -5.190 24.540 1.00 0.00 C ATOM 697 O LEU A 41 -3.944 -4.181 24.986 1.00 0.00 O ATOM 698 CB LEU A 41 -1.247 -5.510 25.779 1.00 0.00 C ATOM 699 CG LEU A 41 -0.557 -6.047 27.039 1.00 0.00 C ATOM 700 CD1 LEU A 41 0.931 -5.742 27.001 1.00 0.00 C ATOM 701 CD2 LEU A 41 -1.186 -5.454 28.295 1.00 0.00 C ATOM 0 H LEU A 41 -1.787 -7.438 24.079 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.156 -6.250 26.400 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.588 -5.677 24.927 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.366 -4.432 25.883 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.691 -7.128 27.065 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.405 -6.130 27.903 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.377 -6.213 26.125 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.080 -4.664 26.948 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.681 -5.849 29.176 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.085 -4.369 28.275 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.242 -5.720 28.333 1.00 0.00 H new ATOM 713 N LEU A 42 -3.440 -5.537 23.241 1.00 0.00 N ATOM 714 CA LEU A 42 -4.170 -4.727 22.256 1.00 0.00 C ATOM 715 C LEU A 42 -5.660 -4.688 22.588 1.00 0.00 C ATOM 716 O LEU A 42 -6.286 -3.627 22.552 1.00 0.00 O ATOM 717 CB LEU A 42 -3.968 -5.273 20.837 1.00 0.00 C ATOM 718 CG LEU A 42 -4.277 -4.290 19.701 1.00 0.00 C ATOM 719 CD1 LEU A 42 -3.309 -4.492 18.545 1.00 0.00 C ATOM 720 CD2 LEU A 42 -5.714 -4.457 19.224 1.00 0.00 C ATOM 0 H LEU A 42 -2.984 -6.364 22.855 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.771 -3.714 22.299 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.934 -5.603 20.737 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.597 -6.154 20.713 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.156 -3.276 20.082 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.542 -3.787 17.748 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.289 -4.324 18.891 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.401 -5.510 18.167 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.914 -3.751 18.418 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.861 -5.474 18.860 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.397 -4.266 20.052 1.00 0.00 H new ATOM 1049 N ILE B 62 0.232 8.787 -29.398 1.00 0.00 N ATOM 1050 CA ILE B 62 0.645 9.014 -28.013 1.00 0.00 C ATOM 1051 C ILE B 62 1.701 7.994 -27.576 1.00 0.00 C ATOM 1052 O ILE B 62 1.673 6.844 -28.018 1.00 0.00 O ATOM 1053 CB ILE B 62 -0.555 8.961 -27.034 1.00 0.00 C ATOM 1054 CG1 ILE B 62 -1.502 7.799 -27.369 1.00 0.00 C ATOM 1055 CG2 ILE B 62 -1.310 10.282 -27.055 1.00 0.00 C ATOM 1056 CD1 ILE B 62 -1.210 6.534 -26.590 1.00 0.00 C ATOM 0 HA ILE B 62 1.075 10.015 -27.978 1.00 0.00 H new ATOM 0 HB ILE B 62 -0.162 8.792 -26.031 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -2.528 8.109 -27.171 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -1.435 7.583 -28.435 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -2.151 10.232 -26.363 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -0.641 11.088 -26.755 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -1.680 10.474 -28.062 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -1.918 5.757 -26.879 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -0.196 6.199 -26.807 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -1.306 6.734 -25.523 1.00 0.00 H new ATOM 1068 N PRO B 63 2.648 8.404 -26.700 1.00 0.00 N ATOM 1069 CA PRO B 63 3.713 7.516 -26.206 1.00 0.00 C ATOM 1070 C PRO B 63 3.185 6.418 -25.281 1.00 0.00 C ATOM 1071 O PRO B 63 2.319 6.666 -24.440 1.00 0.00 O ATOM 1072 CB PRO B 63 4.641 8.462 -25.439 1.00 0.00 C ATOM 1073 CG PRO B 63 3.789 9.619 -25.047 1.00 0.00 C ATOM 1074 CD PRO B 63 2.758 9.766 -26.131 1.00 0.00 C ATOM 0 HA PRO B 63 4.203 6.983 -27.021 1.00 0.00 H new ATOM 0 HB2 PRO B 63 5.065 7.972 -24.563 1.00 0.00 H new ATOM 0 HB3 PRO B 63 5.477 8.782 -26.061 1.00 0.00 H new ATOM 0 HG2 PRO B 63 3.316 9.444 -24.081 1.00 0.00 H new ATOM 0 HG3 PRO B 63 4.385 10.527 -24.951 1.00 0.00 H new ATOM 0 HD2 PRO B 63 1.804 10.111 -25.732 1.00 0.00 H new ATOM 0 HD3 PRO B 63 3.069 10.490 -26.884 1.00 0.00 H new ATOM 1082 N SER B 64 3.717 5.206 -25.448 1.00 0.00 N ATOM 1083 CA SER B 64 3.309 4.058 -24.635 1.00 0.00 C ATOM 1084 C SER B 64 4.001 4.064 -23.268 1.00 0.00 C ATOM 1085 O SER B 64 3.681 3.251 -22.399 1.00 0.00 O ATOM 1086 CB SER B 64 3.620 2.754 -25.371 1.00 0.00 C ATOM 1087 OG SER B 64 2.932 2.690 -26.608 1.00 0.00 O ATOM 0 H SER B 64 4.434 4.993 -26.142 1.00 0.00 H new ATOM 0 HA SER B 64 2.234 4.133 -24.469 1.00 0.00 H new ATOM 0 HB2 SER B 64 4.693 2.678 -25.544 1.00 0.00 H new ATOM 0 HB3 SER B 64 3.336 1.905 -24.749 1.00 0.00 H new ATOM 0 HG SER B 64 3.149 1.848 -27.060 1.00 0.00 H new ATOM 1093 N ILE B 65 4.948 4.987 -23.089 1.00 0.00 N ATOM 1094 CA ILE B 65 5.692 5.105 -21.833 1.00 0.00 C ATOM 1095 C ILE B 65 4.905 5.919 -20.801 1.00 0.00 C ATOM 1096 O ILE B 65 4.998 5.663 -19.598 1.00 0.00 O ATOM 1097 CB ILE B 65 7.082 5.759 -22.045 1.00 0.00 C ATOM 1098 CG1 ILE B 65 7.762 5.203 -23.302 1.00 0.00 C ATOM 1099 CG2 ILE B 65 7.974 5.538 -20.829 1.00 0.00 C ATOM 1100 CD1 ILE B 65 7.585 6.077 -24.525 1.00 0.00 C ATOM 0 H ILE B 65 5.219 5.666 -23.801 1.00 0.00 H new ATOM 0 HA ILE B 65 5.838 4.091 -21.460 1.00 0.00 H new ATOM 0 HB ILE B 65 6.929 6.830 -22.177 1.00 0.00 H new ATOM 0 HG12 ILE B 65 8.827 5.081 -23.105 1.00 0.00 H new ATOM 0 HG13 ILE B 65 7.361 4.212 -23.513 1.00 0.00 H new ATOM 0 HG21 ILE B 65 8.944 6.005 -21.000 1.00 0.00 H new ATOM 0 HG22 ILE B 65 7.507 5.982 -19.950 1.00 0.00 H new ATOM 0 HG23 ILE B 65 8.110 4.469 -20.667 1.00 0.00 H new ATOM 0 HD11 ILE B 65 8.092 5.621 -25.375 1.00 0.00 H new ATOM 0 HD12 ILE B 65 6.523 6.179 -24.749 1.00 0.00 H new ATOM 0 HD13 ILE B 65 8.012 7.062 -24.334 1.00 0.00 H new ATOM 1112 N ALA B 66 4.133 6.895 -21.282 1.00 0.00 N ATOM 1113 CA ALA B 66 3.329 7.750 -20.409 1.00 0.00 C ATOM 1114 C ALA B 66 1.992 7.098 -20.059 1.00 0.00 C ATOM 1115 O ALA B 66 1.428 7.357 -18.993 1.00 0.00 O ATOM 1116 CB ALA B 66 3.099 9.102 -21.067 1.00 0.00 C ATOM 0 H ALA B 66 4.048 7.113 -22.275 1.00 0.00 H new ATOM 0 HA ALA B 66 3.882 7.892 -19.480 1.00 0.00 H new ATOM 0 HB1 ALA B 66 2.499 9.730 -20.408 1.00 0.00 H new ATOM 0 HB2 ALA B 66 4.059 9.584 -21.253 1.00 0.00 H new ATOM 0 HB3 ALA B 66 2.574 8.962 -22.012 1.00 0.00 H new ATOM 1122 N THR B 67 1.496 6.245 -20.960 1.00 0.00 N ATOM 1123 CA THR B 67 0.222 5.550 -20.761 1.00 0.00 C ATOM 1124 C THR B 67 0.281 4.600 -19.560 1.00 0.00 C ATOM 1125 O THR B 67 -0.724 4.383 -18.882 1.00 0.00 O ATOM 1126 CB THR B 67 -0.183 4.754 -22.020 1.00 0.00 C ATOM 1127 OG1 THR B 67 0.268 5.434 -23.199 1.00 0.00 O ATOM 1128 CG2 THR B 67 -1.694 4.570 -22.091 1.00 0.00 C ATOM 0 H THR B 67 1.961 6.019 -21.839 1.00 0.00 H new ATOM 0 HA THR B 67 -0.527 6.317 -20.566 1.00 0.00 H new ATOM 0 HB THR B 67 0.286 3.772 -21.960 1.00 0.00 H new ATOM 0 HG1 THR B 67 0.008 4.921 -23.992 1.00 0.00 H new ATOM 0 HG21 THR B 67 -1.950 4.006 -22.988 1.00 0.00 H new ATOM 0 HG22 THR B 67 -2.036 4.026 -21.210 1.00 0.00 H new ATOM 0 HG23 THR B 67 -2.178 5.546 -22.126 1.00 0.00 H new ATOM 1136 N GLY B 68 1.465 4.035 -19.311 1.00 0.00 N ATOM 1137 CA GLY B 68 1.644 3.124 -18.189 1.00 0.00 C ATOM 1138 C GLY B 68 1.867 3.862 -16.879 1.00 0.00 C ATOM 1139 O GLY B 68 1.306 3.491 -15.840 1.00 0.00 O ATOM 0 H GLY B 68 2.304 4.193 -19.868 1.00 0.00 H new ATOM 0 HA2 GLY B 68 0.766 2.485 -18.099 1.00 0.00 H new ATOM 0 HA3 GLY B 68 2.495 2.471 -18.385 1.00 0.00 H new ATOM 1143 N LEU B 69 2.678 4.920 -16.940 1.00 0.00 N ATOM 1144 CA LEU B 69 2.990 5.733 -15.766 1.00 0.00 C ATOM 1145 C LEU B 69 1.735 6.388 -15.199 1.00 0.00 C ATOM 1146 O LEU B 69 1.529 6.402 -13.988 1.00 0.00 O ATOM 1147 CB LEU B 69 4.021 6.813 -16.119 1.00 0.00 C ATOM 1148 CG LEU B 69 5.419 6.297 -16.482 1.00 0.00 C ATOM 1149 CD1 LEU B 69 6.168 7.328 -17.312 1.00 0.00 C ATOM 1150 CD2 LEU B 69 6.209 5.954 -15.225 1.00 0.00 C ATOM 0 H LEU B 69 3.133 5.234 -17.797 1.00 0.00 H new ATOM 0 HA LEU B 69 3.408 5.071 -15.008 1.00 0.00 H new ATOM 0 HB2 LEU B 69 3.639 7.396 -16.957 1.00 0.00 H new ATOM 0 HB3 LEU B 69 4.112 7.494 -15.273 1.00 0.00 H new ATOM 0 HG LEU B 69 5.305 5.390 -17.075 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.158 6.945 -17.561 1.00 0.00 H new ATOM 0 HD12 LEU B 69 5.615 7.528 -18.230 1.00 0.00 H new ATOM 0 HD13 LEU B 69 6.269 8.251 -16.741 1.00 0.00 H new ATOM 0 HD21 LEU B 69 7.198 5.590 -15.505 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.312 6.845 -14.606 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.683 5.181 -14.664 1.00 0.00 H new ATOM 1162 N VAL B 70 0.888 6.919 -16.081 1.00 0.00 N ATOM 1163 CA VAL B 70 -0.347 7.580 -15.660 1.00 0.00 C ATOM 1164 C VAL B 70 -1.273 6.620 -14.911 1.00 0.00 C ATOM 1165 O VAL B 70 -1.893 6.990 -13.914 1.00 0.00 O ATOM 1166 CB VAL B 70 -1.099 8.219 -16.855 1.00 0.00 C ATOM 1167 CG1 VAL B 70 -0.286 9.368 -17.435 1.00 0.00 C ATOM 1168 CG2 VAL B 70 -1.413 7.190 -17.939 1.00 0.00 C ATOM 0 H VAL B 70 1.034 6.904 -17.090 1.00 0.00 H new ATOM 0 HA VAL B 70 -0.052 8.378 -14.979 1.00 0.00 H new ATOM 0 HB VAL B 70 -2.048 8.605 -16.482 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -0.825 9.808 -18.274 1.00 0.00 H new ATOM 0 HG12 VAL B 70 -0.128 10.126 -16.667 1.00 0.00 H new ATOM 0 HG13 VAL B 70 0.678 8.994 -17.780 1.00 0.00 H new ATOM 0 HG21 VAL B 70 -1.940 7.676 -18.760 1.00 0.00 H new ATOM 0 HG22 VAL B 70 -0.484 6.757 -18.310 1.00 0.00 H new ATOM 0 HG23 VAL B 70 -2.039 6.401 -17.522 1.00 0.00 H new ATOM 1178 N GLY B 71 -1.330 5.379 -15.386 1.00 0.00 N ATOM 1179 CA GLY B 71 -2.172 4.367 -14.763 1.00 0.00 C ATOM 1180 C GLY B 71 -1.683 3.966 -13.384 1.00 0.00 C ATOM 1181 O GLY B 71 -2.462 3.936 -12.428 1.00 0.00 O ATOM 0 H GLY B 71 -0.805 5.053 -16.197 1.00 0.00 H new ATOM 0 HA2 GLY B 71 -3.191 4.745 -14.687 1.00 0.00 H new ATOM 0 HA3 GLY B 71 -2.206 3.485 -15.402 1.00 0.00 H new ATOM 1185 N ALA B 72 -0.385 3.675 -13.277 1.00 0.00 N ATOM 1186 CA ALA B 72 0.206 3.256 -12.005 1.00 0.00 C ATOM 1187 C ALA B 72 0.365 4.411 -11.024 1.00 0.00 C ATOM 1188 O ALA B 72 0.068 4.263 -9.840 1.00 0.00 O ATOM 1189 CB ALA B 72 1.546 2.576 -12.242 1.00 0.00 C ATOM 0 H ALA B 72 0.275 3.722 -14.053 1.00 0.00 H new ATOM 0 HA ALA B 72 -0.486 2.546 -11.552 1.00 0.00 H new ATOM 0 HB1 ALA B 72 1.973 2.270 -11.287 1.00 0.00 H new ATOM 0 HB2 ALA B 72 1.402 1.699 -12.873 1.00 0.00 H new ATOM 0 HB3 ALA B 72 2.224 3.271 -12.737 1.00 0.00 H new ATOM 1195 N LEU B 73 0.828 5.556 -11.516 1.00 0.00 N ATOM 1196 CA LEU B 73 1.021 6.728 -10.666 1.00 0.00 C ATOM 1197 C LEU B 73 -0.314 7.241 -10.128 1.00 0.00 C ATOM 1198 O LEU B 73 -0.411 7.627 -8.960 1.00 0.00 O ATOM 1199 CB LEU B 73 1.759 7.829 -11.436 1.00 0.00 C ATOM 1200 CG LEU B 73 3.291 7.708 -11.442 1.00 0.00 C ATOM 1201 CD1 LEU B 73 3.749 6.478 -12.221 1.00 0.00 C ATOM 1202 CD2 LEU B 73 3.917 8.967 -12.024 1.00 0.00 C ATOM 0 H LEU B 73 1.076 5.698 -12.495 1.00 0.00 H new ATOM 0 HA LEU B 73 1.632 6.435 -9.812 1.00 0.00 H new ATOM 0 HB2 LEU B 73 1.406 7.828 -12.467 1.00 0.00 H new ATOM 0 HB3 LEU B 73 1.488 8.794 -11.008 1.00 0.00 H new ATOM 0 HG LEU B 73 3.622 7.592 -10.410 1.00 0.00 H new ATOM 0 HD11 LEU B 73 4.837 6.422 -12.206 1.00 0.00 H new ATOM 0 HD12 LEU B 73 3.333 5.581 -11.762 1.00 0.00 H new ATOM 0 HD13 LEU B 73 3.404 6.551 -13.252 1.00 0.00 H new ATOM 0 HD21 LEU B 73 5.002 8.868 -12.022 1.00 0.00 H new ATOM 0 HD22 LEU B 73 3.567 9.108 -13.047 1.00 0.00 H new ATOM 0 HD23 LEU B 73 3.630 9.828 -11.421 1.00 0.00 H new ATOM 1214 N LEU B 74 -1.348 7.230 -10.979 1.00 0.00 N ATOM 1215 CA LEU B 74 -2.679 7.677 -10.568 1.00 0.00 C ATOM 1216 C LEU B 74 -3.332 6.667 -9.631 1.00 0.00 C ATOM 1217 O LEU B 74 -3.973 7.047 -8.648 1.00 0.00 O ATOM 1218 CB LEU B 74 -3.572 7.923 -11.788 1.00 0.00 C ATOM 1219 CG LEU B 74 -3.669 9.383 -12.245 1.00 0.00 C ATOM 1220 CD1 LEU B 74 -2.421 9.794 -13.016 1.00 0.00 C ATOM 1221 CD2 LEU B 74 -4.913 9.591 -13.096 1.00 0.00 C ATOM 0 H LEU B 74 -1.287 6.918 -11.948 1.00 0.00 H new ATOM 0 HA LEU B 74 -2.561 8.617 -10.029 1.00 0.00 H new ATOM 0 HB2 LEU B 74 -3.198 7.324 -12.618 1.00 0.00 H new ATOM 0 HB3 LEU B 74 -4.576 7.563 -11.562 1.00 0.00 H new ATOM 0 HG LEU B 74 -3.744 10.013 -11.359 1.00 0.00 H new ATOM 0 HD11 LEU B 74 -2.513 10.834 -13.330 1.00 0.00 H new ATOM 0 HD12 LEU B 74 -1.545 9.684 -12.376 1.00 0.00 H new ATOM 0 HD13 LEU B 74 -2.310 9.158 -13.894 1.00 0.00 H new ATOM 0 HD21 LEU B 74 -4.967 10.633 -13.413 1.00 0.00 H new ATOM 0 HD22 LEU B 74 -4.865 8.947 -13.974 1.00 0.00 H new ATOM 0 HD23 LEU B 74 -5.799 9.343 -12.512 1.00 0.00 H new ATOM 1233 N LEU B 75 -3.150 5.378 -9.927 1.00 0.00 N ATOM 1234 CA LEU B 75 -3.723 4.317 -9.097 1.00 0.00 C ATOM 1235 C LEU B 75 -3.010 4.247 -7.749 1.00 0.00 C ATOM 1236 O LEU B 75 -3.644 4.051 -6.710 1.00 0.00 O ATOM 1237 CB LEU B 75 -3.640 2.963 -9.810 1.00 0.00 C ATOM 1238 CG LEU B 75 -4.979 2.401 -10.301 1.00 0.00 C ATOM 1239 CD1 LEU B 75 -5.227 2.794 -11.749 1.00 0.00 C ATOM 1240 CD2 LEU B 75 -5.015 0.888 -10.144 1.00 0.00 C ATOM 0 H LEU B 75 -2.614 5.046 -10.729 1.00 0.00 H new ATOM 0 HA LEU B 75 -4.773 4.552 -8.925 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -2.970 3.061 -10.664 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -3.188 2.240 -9.131 1.00 0.00 H new ATOM 0 HG LEU B 75 -5.774 2.828 -9.689 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -6.182 2.385 -12.078 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -5.249 3.881 -11.832 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -4.428 2.398 -12.375 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -5.973 0.508 -10.498 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -4.210 0.442 -10.728 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -4.888 0.628 -9.093 1.00 0.00 H new ATOM 1252 N LEU B 76 -1.688 4.429 -7.776 1.00 0.00 N ATOM 1253 CA LEU B 76 -0.876 4.404 -6.560 1.00 0.00 C ATOM 1254 C LEU B 76 -1.156 5.633 -5.700 1.00 0.00 C ATOM 1255 O LEU B 76 -1.136 5.558 -4.471 1.00 0.00 O ATOM 1256 CB LEU B 76 0.614 4.344 -6.916 1.00 0.00 C ATOM 1257 CG LEU B 76 1.493 3.565 -5.932 1.00 0.00 C ATOM 1258 CD1 LEU B 76 2.641 2.891 -6.666 1.00 0.00 C ATOM 1259 CD2 LEU B 76 2.025 4.487 -4.844 1.00 0.00 C ATOM 0 H LEU B 76 -1.157 4.596 -8.630 1.00 0.00 H new ATOM 0 HA LEU B 76 -1.141 3.513 -5.991 1.00 0.00 H new ATOM 0 HB2 LEU B 76 0.717 3.894 -7.904 1.00 0.00 H new ATOM 0 HB3 LEU B 76 0.994 5.363 -6.989 1.00 0.00 H new ATOM 0 HG LEU B 76 0.883 2.794 -5.461 1.00 0.00 H new ATOM 0 HD11 LEU B 76 3.256 2.342 -5.953 1.00 0.00 H new ATOM 0 HD12 LEU B 76 2.242 2.200 -7.409 1.00 0.00 H new ATOM 0 HD13 LEU B 76 3.249 3.647 -7.163 1.00 0.00 H new ATOM 0 HD21 LEU B 76 2.647 3.916 -4.155 1.00 0.00 H new ATOM 0 HD22 LEU B 76 2.620 5.280 -5.298 1.00 0.00 H new ATOM 0 HD23 LEU B 76 1.190 4.927 -4.299 1.00 0.00 H new ATOM 1271 N LEU B 77 -1.423 6.765 -6.360 1.00 0.00 N ATOM 1272 CA LEU B 77 -1.721 8.018 -5.666 1.00 0.00 C ATOM 1273 C LEU B 77 -3.082 7.947 -4.966 1.00 0.00 C ATOM 1274 O LEU B 77 -3.222 8.394 -3.825 1.00 0.00 O ATOM 1275 CB LEU B 77 -1.697 9.190 -6.653 1.00 0.00 C ATOM 1276 CG LEU B 77 -1.414 10.564 -6.035 1.00 0.00 C ATOM 1277 CD1 LEU B 77 0.083 10.825 -5.963 1.00 0.00 C ATOM 1278 CD2 LEU B 77 -2.110 11.658 -6.831 1.00 0.00 C ATOM 0 H LEU B 77 -1.438 6.837 -7.377 1.00 0.00 H new ATOM 0 HA LEU B 77 -0.954 8.176 -4.908 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -0.940 8.989 -7.411 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -2.658 9.232 -7.165 1.00 0.00 H new ATOM 0 HG LEU B 77 -1.809 10.571 -5.019 1.00 0.00 H new ATOM 0 HD11 LEU B 77 0.261 11.806 -5.521 1.00 0.00 H new ATOM 0 HD12 LEU B 77 0.557 10.059 -5.349 1.00 0.00 H new ATOM 0 HD13 LEU B 77 0.506 10.798 -6.967 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -1.899 12.627 -6.379 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -1.745 11.649 -7.858 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -3.186 11.482 -6.827 1.00 0.00 H new ATOM 1290 N VAL B 78 -4.078 7.377 -5.654 1.00 0.00 N ATOM 1291 CA VAL B 78 -5.428 7.243 -5.096 1.00 0.00 C ATOM 1292 C VAL B 78 -5.452 6.232 -3.945 1.00 0.00 C ATOM 1293 O VAL B 78 -6.081 6.477 -2.911 1.00 0.00 O ATOM 1294 CB VAL B 78 -6.456 6.822 -6.178 1.00 0.00 C ATOM 1295 CG1 VAL B 78 -7.847 6.650 -5.580 1.00 0.00 C ATOM 1296 CG2 VAL B 78 -6.494 7.838 -7.311 1.00 0.00 C ATOM 0 H VAL B 78 -3.975 7.002 -6.597 1.00 0.00 H new ATOM 0 HA VAL B 78 -5.710 8.224 -4.714 1.00 0.00 H new ATOM 0 HB VAL B 78 -6.136 5.861 -6.580 1.00 0.00 H new ATOM 0 HG11 VAL B 78 -8.546 6.355 -6.363 1.00 0.00 H new ATOM 0 HG12 VAL B 78 -7.819 5.880 -4.809 1.00 0.00 H new ATOM 0 HG13 VAL B 78 -8.173 7.592 -5.140 1.00 0.00 H new ATOM 0 HG21 VAL B 78 -7.222 7.522 -8.058 1.00 0.00 H new ATOM 0 HG22 VAL B 78 -6.779 8.813 -6.916 1.00 0.00 H new ATOM 0 HG23 VAL B 78 -5.508 7.907 -7.771 1.00 0.00 H new ATOM 1306 N VAL B 79 -4.762 5.102 -4.126 1.00 0.00 N ATOM 1307 CA VAL B 79 -4.704 4.058 -3.098 1.00 0.00 C ATOM 1308 C VAL B 79 -3.900 4.528 -1.882 1.00 0.00 C ATOM 1309 O VAL B 79 -4.272 4.251 -0.740 1.00 0.00 O ATOM 1310 CB VAL B 79 -4.095 2.743 -3.650 1.00 0.00 C ATOM 1311 CG1 VAL B 79 -3.966 1.691 -2.554 1.00 0.00 C ATOM 1312 CG2 VAL B 79 -4.934 2.202 -4.800 1.00 0.00 C ATOM 0 H VAL B 79 -4.236 4.887 -4.973 1.00 0.00 H new ATOM 0 HA VAL B 79 -5.730 3.858 -2.790 1.00 0.00 H new ATOM 0 HB VAL B 79 -3.096 2.972 -4.022 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -3.536 0.781 -2.972 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -3.318 2.068 -1.762 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -4.951 1.471 -2.143 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -4.489 1.279 -5.172 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -5.946 2.001 -4.449 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -4.968 2.938 -5.603 1.00 0.00 H new ATOM 1322 N ALA B 80 -2.802 5.245 -2.134 1.00 0.00 N ATOM 1323 CA ALA B 80 -1.950 5.758 -1.060 1.00 0.00 C ATOM 1324 C ALA B 80 -2.641 6.882 -0.290 1.00 0.00 C ATOM 1325 O ALA B 80 -2.493 6.992 0.930 1.00 0.00 O ATOM 1326 CB ALA B 80 -0.621 6.242 -1.621 1.00 0.00 C ATOM 0 H ALA B 80 -2.483 5.483 -3.073 1.00 0.00 H new ATOM 0 HA ALA B 80 -1.763 4.940 -0.364 1.00 0.00 H new ATOM 0 HB1 ALA B 80 0.000 6.620 -0.809 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -0.111 5.414 -2.113 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -0.799 7.039 -2.343 1.00 0.00 H new ATOM 1332 N LEU B 81 -3.402 7.710 -1.011 1.00 0.00 N ATOM 1333 CA LEU B 81 -4.125 8.827 -0.404 1.00 0.00 C ATOM 1334 C LEU B 81 -5.286 8.326 0.459 1.00 0.00 C ATOM 1335 O LEU B 81 -5.479 8.793 1.582 1.00 0.00 O ATOM 1336 CB LEU B 81 -4.648 9.774 -1.491 1.00 0.00 C ATOM 1337 CG LEU B 81 -4.783 11.241 -1.072 1.00 0.00 C ATOM 1338 CD1 LEU B 81 -3.491 11.999 -1.339 1.00 0.00 C ATOM 1339 CD2 LEU B 81 -5.948 11.896 -1.799 1.00 0.00 C ATOM 0 H LEU B 81 -3.533 7.626 -2.019 1.00 0.00 H new ATOM 0 HA LEU B 81 -3.431 9.370 0.238 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -3.979 9.719 -2.350 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -5.623 9.417 -1.822 1.00 0.00 H new ATOM 0 HG LEU B 81 -4.981 11.275 -0.001 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -3.609 13.039 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -2.679 11.545 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -3.258 11.957 -2.403 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -6.030 12.938 -1.490 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -5.778 11.849 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.871 11.371 -1.554 1.00 0.00 H new ATOM 1351 N GLY B 82 -6.046 7.363 -0.073 1.00 0.00 N ATOM 1352 CA GLY B 82 -7.176 6.805 0.657 1.00 0.00 C ATOM 1353 C GLY B 82 -6.742 5.965 1.846 1.00 0.00 C ATOM 1354 O GLY B 82 -7.141 6.232 2.981 1.00 0.00 O ATOM 0 H GLY B 82 -5.897 6.960 -0.998 1.00 0.00 H new ATOM 0 HA2 GLY B 82 -7.817 7.616 1.003 1.00 0.00 H new ATOM 0 HA3 GLY B 82 -7.774 6.192 -0.018 1.00 0.00 H new ATOM 1358 N ILE B 83 -5.911 4.954 1.581 1.00 0.00 N ATOM 1359 CA ILE B 83 -5.406 4.068 2.633 1.00 0.00 C ATOM 1360 C ILE B 83 -4.533 4.849 3.621 1.00 0.00 C ATOM 1361 O ILE B 83 -4.578 4.605 4.832 1.00 0.00 O ATOM 1362 CB ILE B 83 -4.597 2.883 2.037 1.00 0.00 C ATOM 1363 CG1 ILE B 83 -5.428 2.112 0.989 1.00 0.00 C ATOM 1364 CG2 ILE B 83 -4.112 1.939 3.134 1.00 0.00 C ATOM 1365 CD1 ILE B 83 -6.748 1.557 1.501 1.00 0.00 C ATOM 0 H ILE B 83 -5.573 4.728 0.645 1.00 0.00 H new ATOM 0 HA ILE B 83 -6.268 3.661 3.161 1.00 0.00 H new ATOM 0 HB ILE B 83 -3.723 3.302 1.538 1.00 0.00 H new ATOM 0 HG12 ILE B 83 -5.631 2.775 0.148 1.00 0.00 H new ATOM 0 HG13 ILE B 83 -4.828 1.287 0.606 1.00 0.00 H new ATOM 0 HG21 ILE B 83 -3.549 1.120 2.686 1.00 0.00 H new ATOM 0 HG22 ILE B 83 -3.470 2.485 3.826 1.00 0.00 H new ATOM 0 HG23 ILE B 83 -4.970 1.538 3.674 1.00 0.00 H new ATOM 0 HD11 ILE B 83 -7.260 1.033 0.694 1.00 0.00 H new ATOM 0 HD12 ILE B 83 -6.558 0.864 2.321 1.00 0.00 H new ATOM 0 HD13 ILE B 83 -7.374 2.376 1.856 1.00 0.00 H new ATOM 1377 N GLY B 84 -3.752 5.797 3.094 1.00 0.00 N ATOM 1378 CA GLY B 84 -2.886 6.614 3.932 1.00 0.00 C ATOM 1379 C GLY B 84 -3.670 7.499 4.885 1.00 0.00 C ATOM 1380 O GLY B 84 -3.360 7.564 6.075 1.00 0.00 O ATOM 0 H GLY B 84 -3.705 6.012 2.098 1.00 0.00 H new ATOM 0 HA2 GLY B 84 -2.223 5.966 4.505 1.00 0.00 H new ATOM 0 HA3 GLY B 84 -2.254 7.237 3.299 1.00 0.00 H new ATOM 1384 N LEU B 85 -4.695 8.173 4.356 1.00 0.00 N ATOM 1385 CA LEU B 85 -5.540 9.052 5.165 1.00 0.00 C ATOM 1386 C LEU B 85 -6.461 8.239 6.076 1.00 0.00 C ATOM 1387 O LEU B 85 -6.914 8.732 7.110 1.00 0.00 O ATOM 1388 CB LEU B 85 -6.377 9.972 4.267 1.00 0.00 C ATOM 1389 CG LEU B 85 -5.605 11.109 3.590 1.00 0.00 C ATOM 1390 CD1 LEU B 85 -6.354 11.602 2.362 1.00 0.00 C ATOM 1391 CD2 LEU B 85 -5.371 12.259 4.562 1.00 0.00 C ATOM 0 H LEU B 85 -4.959 8.126 3.372 1.00 0.00 H new ATOM 0 HA LEU B 85 -4.886 9.663 5.787 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -6.849 9.366 3.494 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -7.178 10.406 4.866 1.00 0.00 H new ATOM 0 HG LEU B 85 -4.635 10.722 3.277 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -5.792 12.410 1.893 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -6.471 10.782 1.653 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -7.337 11.968 2.658 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -4.821 13.054 4.059 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -6.330 12.644 4.908 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -4.794 11.903 5.415 1.00 0.00 H new ATOM 1403 N PHE B 86 -6.731 6.991 5.680 1.00 0.00 N ATOM 1404 CA PHE B 86 -7.589 6.099 6.459 1.00 0.00 C ATOM 1405 C PHE B 86 -6.873 5.598 7.715 1.00 0.00 C ATOM 1406 O PHE B 86 -7.480 5.498 8.783 1.00 0.00 O ATOM 1407 CB PHE B 86 -8.038 4.911 5.606 1.00 0.00 C ATOM 1408 CG PHE B 86 -9.486 4.969 5.207 1.00 0.00 C ATOM 1409 CD1 PHE B 86 -9.872 5.598 4.034 1.00 0.00 C ATOM 1410 CD2 PHE B 86 -10.461 4.393 6.007 1.00 0.00 C ATOM 1411 CE1 PHE B 86 -11.204 5.651 3.666 1.00 0.00 C ATOM 1412 CE2 PHE B 86 -11.794 4.444 5.645 1.00 0.00 C ATOM 1413 CZ PHE B 86 -12.165 5.073 4.473 1.00 0.00 C ATOM 0 H PHE B 86 -6.366 6.577 4.822 1.00 0.00 H new ATOM 0 HA PHE B 86 -8.466 6.668 6.769 1.00 0.00 H new ATOM 0 HB2 PHE B 86 -7.424 4.867 4.707 1.00 0.00 H new ATOM 0 HB3 PHE B 86 -7.859 3.989 6.159 1.00 0.00 H new ATOM 0 HD1 PHE B 86 -9.124 6.052 3.400 1.00 0.00 H new ATOM 0 HD2 PHE B 86 -10.176 3.899 6.924 1.00 0.00 H new ATOM 0 HE1 PHE B 86 -11.493 6.143 2.749 1.00 0.00 H new ATOM 0 HE2 PHE B 86 -12.544 3.993 6.278 1.00 0.00 H new ATOM 0 HZ PHE B 86 -13.206 5.113 4.187 1.00 0.00 H new ATOM 1423 N ILE B 87 -5.580 5.286 7.580 1.00 0.00 N ATOM 1424 CA ILE B 87 -4.781 4.803 8.711 1.00 0.00 C ATOM 1425 C ILE B 87 -4.256 5.968 9.556 1.00 0.00 C ATOM 1426 O ILE B 87 -4.131 5.849 10.775 1.00 0.00 O ATOM 1427 CB ILE B 87 -3.587 3.930 8.246 1.00 0.00 C ATOM 1428 CG1 ILE B 87 -4.062 2.826 7.292 1.00 0.00 C ATOM 1429 CG2 ILE B 87 -2.871 3.318 9.450 1.00 0.00 C ATOM 1430 CD1 ILE B 87 -2.973 2.293 6.383 1.00 0.00 C ATOM 0 H ILE B 87 -5.066 5.359 6.702 1.00 0.00 H new ATOM 0 HA ILE B 87 -5.445 4.187 9.318 1.00 0.00 H new ATOM 0 HB ILE B 87 -2.885 4.569 7.711 1.00 0.00 H new ATOM 0 HG12 ILE B 87 -4.468 2.002 7.878 1.00 0.00 H new ATOM 0 HG13 ILE B 87 -4.876 3.213 6.680 1.00 0.00 H new ATOM 0 HG21 ILE B 87 -2.036 2.708 9.105 1.00 0.00 H new ATOM 0 HG22 ILE B 87 -2.498 4.114 10.095 1.00 0.00 H new ATOM 0 HG23 ILE B 87 -3.568 2.695 10.010 1.00 0.00 H new ATOM 0 HD11 ILE B 87 -3.385 1.516 5.738 1.00 0.00 H new ATOM 0 HD12 ILE B 87 -2.582 3.104 5.769 1.00 0.00 H new ATOM 0 HD13 ILE B 87 -2.168 1.874 6.987 1.00 0.00 H new ATOM 1442 N ARG B 88 -3.953 7.092 8.898 1.00 0.00 N ATOM 1443 CA ARG B 88 -3.439 8.280 9.589 1.00 0.00 C ATOM 1444 C ARG B 88 -4.490 8.894 10.515 1.00 0.00 C ATOM 1445 O ARG B 88 -4.150 9.555 11.498 1.00 0.00 O ATOM 1446 CB ARG B 88 -2.971 9.323 8.572 1.00 0.00 C ATOM 1447 CG ARG B 88 -1.579 9.057 8.023 1.00 0.00 C ATOM 1448 CD ARG B 88 -1.162 10.121 7.020 1.00 0.00 C ATOM 1449 NE ARG B 88 0.177 9.875 6.484 1.00 0.00 N ATOM 1450 CZ ARG B 88 0.780 10.658 5.588 1.00 0.00 C ATOM 1451 NH1 ARG B 88 0.170 11.743 5.121 1.00 0.00 N ATOM 1452 NH2 ARG B 88 1.996 10.355 5.158 1.00 0.00 N ATOM 0 H ARG B 88 -4.054 7.204 7.889 1.00 0.00 H new ATOM 0 HA ARG B 88 -2.594 7.964 10.201 1.00 0.00 H new ATOM 0 HB2 ARG B 88 -3.679 9.354 7.744 1.00 0.00 H new ATOM 0 HB3 ARG B 88 -2.986 10.307 9.041 1.00 0.00 H new ATOM 0 HG2 ARG B 88 -0.862 9.029 8.844 1.00 0.00 H new ATOM 0 HG3 ARG B 88 -1.556 8.077 7.546 1.00 0.00 H new ATOM 0 HD2 ARG B 88 -1.881 10.149 6.201 1.00 0.00 H new ATOM 0 HD3 ARG B 88 -1.187 11.100 7.499 1.00 0.00 H new ATOM 0 HE ARG B 88 0.681 9.053 6.816 1.00 0.00 H new ATOM 0 HH11 ARG B 88 -0.766 11.982 5.448 1.00 0.00 H new ATOM 0 HH12 ARG B 88 0.638 12.336 4.436 1.00 0.00 H new ATOM 0 HH21 ARG B 88 2.470 9.524 5.512 1.00 0.00 H new ATOM 0 HH22 ARG B 88 2.458 10.953 4.473 1.00 0.00 H new ATOM 1466 N ARG B 89 -5.766 8.668 10.194 1.00 0.00 N ATOM 1467 CA ARG B 89 -6.873 9.193 10.996 1.00 0.00 C ATOM 1468 C ARG B 89 -7.154 8.305 12.209 1.00 0.00 C ATOM 1469 O ARG B 89 -7.803 8.736 13.165 1.00 0.00 O ATOM 1470 CB ARG B 89 -8.136 9.319 10.141 1.00 0.00 C ATOM 1471 CG ARG B 89 -8.142 10.542 9.238 1.00 0.00 C ATOM 1472 CD ARG B 89 -9.416 10.618 8.412 1.00 0.00 C ATOM 1473 NE ARG B 89 -9.433 11.791 7.538 1.00 0.00 N ATOM 1474 CZ ARG B 89 -10.436 12.094 6.711 1.00 0.00 C ATOM 1475 NH1 ARG B 89 -11.510 11.316 6.638 1.00 0.00 N ATOM 1476 NH2 ARG B 89 -10.364 13.181 5.955 1.00 0.00 N ATOM 0 H ARG B 89 -6.058 8.124 9.382 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.582 10.179 11.357 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -8.239 8.424 9.527 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -9.006 9.358 10.797 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -8.045 11.443 9.843 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -7.278 10.510 8.574 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -9.512 9.715 7.809 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -10.278 10.649 9.078 1.00 0.00 H new ATOM 0 HE ARG B 89 -8.628 12.417 7.562 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -11.573 10.479 7.217 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -12.271 11.556 6.003 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -9.543 13.784 6.006 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -11.130 13.414 5.323 1.00 0.00 H new ATOM 1490 N ARG B 90 -6.660 7.066 12.161 1.00 0.00 N ATOM 1491 CA ARG B 90 -6.855 6.106 13.250 1.00 0.00 C ATOM 1492 C ARG B 90 -5.852 6.330 14.384 1.00 0.00 C ATOM 1493 O ARG B 90 -6.089 5.915 15.520 1.00 0.00 O ATOM 1494 CB ARG B 90 -6.730 4.674 12.724 1.00 0.00 C ATOM 1495 CG ARG B 90 -7.926 4.218 11.902 1.00 0.00 C ATOM 1496 CD ARG B 90 -7.749 2.792 11.405 1.00 0.00 C ATOM 1497 NE ARG B 90 -8.893 2.341 10.613 1.00 0.00 N ATOM 1498 CZ ARG B 90 -8.989 1.132 10.057 1.00 0.00 C ATOM 1499 NH1 ARG B 90 -8.012 0.244 10.201 1.00 0.00 N ATOM 1500 NH2 ARG B 90 -10.067 0.812 9.355 1.00 0.00 N ATOM 0 H ARG B 90 -6.120 6.703 11.376 1.00 0.00 H new ATOM 0 HA ARG B 90 -7.858 6.260 13.649 1.00 0.00 H new ATOM 0 HB2 ARG B 90 -5.830 4.598 12.113 1.00 0.00 H new ATOM 0 HB3 ARG B 90 -6.601 3.996 13.568 1.00 0.00 H new ATOM 0 HG2 ARG B 90 -8.831 4.284 12.506 1.00 0.00 H new ATOM 0 HG3 ARG B 90 -8.061 4.887 11.052 1.00 0.00 H new ATOM 0 HD2 ARG B 90 -6.843 2.728 10.802 1.00 0.00 H new ATOM 0 HD3 ARG B 90 -7.613 2.126 12.257 1.00 0.00 H new ATOM 0 HE ARG B 90 -9.666 2.992 10.477 1.00 0.00 H new ATOM 0 HH11 ARG B 90 -7.180 0.484 10.740 1.00 0.00 H new ATOM 0 HH12 ARG B 90 -8.094 -0.678 9.773 1.00 0.00 H new ATOM 0 HH21 ARG B 90 -10.821 1.490 9.241 1.00 0.00 H new ATOM 0 HH22 ARG B 90 -10.143 -0.112 8.929 1.00 0.00 H new ATOM 1514 N HIS B 91 -4.733 6.988 14.069 1.00 0.00 N ATOM 1515 CA HIS B 91 -3.689 7.267 15.057 1.00 0.00 C ATOM 1516 C HIS B 91 -4.138 8.322 16.072 1.00 0.00 C ATOM 1517 O HIS B 91 -3.682 8.322 17.216 1.00 0.00 O ATOM 1518 CB HIS B 91 -2.409 7.731 14.360 1.00 0.00 C ATOM 1519 CG HIS B 91 -1.623 6.614 13.747 1.00 0.00 C ATOM 1520 ND1 HIS B 91 -1.731 6.012 12.539 1.00 0.00 N flip ATOM 1521 CD2 HIS B 91 -0.577 5.986 14.393 1.00 0.00 C flip ATOM 1522 CE1 HIS B 91 -0.760 5.042 12.479 1.00 0.00 C flip ATOM 1523 NE2 HIS B 91 -0.078 5.048 13.609 1.00 0.00 N flip ATOM 0 H HIS B 91 -4.527 7.338 13.133 1.00 0.00 H new ATOM 0 HA HIS B 91 -3.493 6.341 15.597 1.00 0.00 H new ATOM 0 HB2 HIS B 91 -2.668 8.451 13.584 1.00 0.00 H new ATOM 0 HB3 HIS B 91 -1.781 8.253 15.082 1.00 0.00 H new ATOM 0 HD1 HIS B 91 -2.407 6.237 11.809 1.00 0.00 H new ATOM 0 HD2 HIS B 91 -0.222 6.225 15.385 1.00 0.00 H new ATOM 0 HE1 HIS B 91 -0.583 4.382 11.643 1.00 0.00 H new ATOM 1532 N ILE B 92 -5.031 9.216 15.643 1.00 0.00 N ATOM 1533 CA ILE B 92 -5.544 10.277 16.513 1.00 0.00 C ATOM 1534 C ILE B 92 -6.696 9.766 17.384 1.00 0.00 C ATOM 1535 O ILE B 92 -6.964 10.316 18.454 1.00 0.00 O ATOM 1536 CB ILE B 92 -6.026 11.507 15.699 1.00 0.00 C ATOM 1537 CG1 ILE B 92 -5.052 11.817 14.556 1.00 0.00 C ATOM 1538 CG2 ILE B 92 -6.178 12.723 16.610 1.00 0.00 C ATOM 1539 CD1 ILE B 92 -5.723 12.374 13.316 1.00 0.00 C ATOM 0 H ILE B 92 -5.414 9.227 14.698 1.00 0.00 H new ATOM 0 HA ILE B 92 -4.716 10.585 17.152 1.00 0.00 H new ATOM 0 HB ILE B 92 -6.998 11.270 15.267 1.00 0.00 H new ATOM 0 HG12 ILE B 92 -4.309 12.532 14.908 1.00 0.00 H new ATOM 0 HG13 ILE B 92 -4.516 10.906 14.290 1.00 0.00 H new ATOM 0 HG21 ILE B 92 -6.517 13.577 16.023 1.00 0.00 H new ATOM 0 HG22 ILE B 92 -6.909 12.505 17.389 1.00 0.00 H new ATOM 0 HG23 ILE B 92 -5.217 12.956 17.069 1.00 0.00 H new ATOM 0 HD11 ILE B 92 -4.971 12.568 12.552 1.00 0.00 H new ATOM 0 HD12 ILE B 92 -6.446 11.651 12.938 1.00 0.00 H new ATOM 0 HD13 ILE B 92 -6.235 13.303 13.566 1.00 0.00 H new ATOM 1651 N LEU B 98 -0.527 1.505 23.635 1.00 0.00 N ATOM 1652 CA LEU B 98 0.056 0.424 22.842 1.00 0.00 C ATOM 1653 C LEU B 98 1.476 0.785 22.416 1.00 0.00 C ATOM 1654 O LEU B 98 2.235 -0.063 21.956 1.00 0.00 O ATOM 1655 CB LEU B 98 -0.812 0.132 21.613 1.00 0.00 C ATOM 1656 CG LEU B 98 -0.739 -1.308 21.088 1.00 0.00 C ATOM 1657 CD1 LEU B 98 -1.572 -2.246 21.953 1.00 0.00 C ATOM 1658 CD2 LEU B 98 -1.199 -1.368 19.640 1.00 0.00 C ATOM 0 HA LEU B 98 0.095 -0.474 23.458 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -1.849 0.360 21.858 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -0.518 0.809 20.811 1.00 0.00 H new ATOM 0 HG LEU B 98 0.299 -1.636 21.137 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -1.504 -3.260 21.560 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -1.196 -2.227 22.976 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -2.613 -1.922 21.943 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -1.141 -2.396 19.282 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -2.229 -1.017 19.570 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -0.557 -0.734 19.028 1.00 0.00 H new ATOM 1670 N ARG B 99 1.794 2.065 22.575 1.00 0.00 N ATOM 1671 CA ARG B 99 3.097 2.625 22.252 1.00 0.00 C ATOM 1672 C ARG B 99 3.902 2.706 23.531 1.00 0.00 C ATOM 1673 O ARG B 99 5.123 2.540 23.535 1.00 0.00 O ATOM 1674 CB ARG B 99 2.949 4.013 21.623 1.00 0.00 C ATOM 1675 CG ARG B 99 2.538 3.976 20.159 1.00 0.00 C ATOM 1676 CD ARG B 99 2.146 5.356 19.653 1.00 0.00 C ATOM 1677 NE ARG B 99 0.782 5.717 20.040 1.00 0.00 N ATOM 1678 CZ ARG B 99 0.003 6.549 19.347 1.00 0.00 C ATOM 1679 NH1 ARG B 99 0.446 7.116 18.230 1.00 0.00 N ATOM 1680 NH2 ARG B 99 -1.224 6.815 19.773 1.00 0.00 N ATOM 0 H ARG B 99 1.138 2.755 22.940 1.00 0.00 H new ATOM 0 HA ARG B 99 3.606 1.990 21.527 1.00 0.00 H new ATOM 0 HB2 ARG B 99 2.208 4.581 22.186 1.00 0.00 H new ATOM 0 HB3 ARG B 99 3.895 4.547 21.713 1.00 0.00 H new ATOM 0 HG2 ARG B 99 3.361 3.588 19.559 1.00 0.00 H new ATOM 0 HG3 ARG B 99 1.700 3.290 20.033 1.00 0.00 H new ATOM 0 HD2 ARG B 99 2.842 6.097 20.046 1.00 0.00 H new ATOM 0 HD3 ARG B 99 2.233 5.382 18.567 1.00 0.00 H new ATOM 0 HE ARG B 99 0.403 5.307 20.893 1.00 0.00 H new ATOM 0 HH11 ARG B 99 1.389 6.916 17.896 1.00 0.00 H new ATOM 0 HH12 ARG B 99 -0.157 7.751 17.707 1.00 0.00 H new ATOM 0 HH21 ARG B 99 -1.571 6.384 20.630 1.00 0.00 H new ATOM 0 HH22 ARG B 99 -1.821 7.451 19.244 1.00 0.00 H new ATOM 1694 N ARG B 100 3.180 2.969 24.628 1.00 0.00 N ATOM 1695 CA ARG B 100 3.782 3.036 25.953 1.00 0.00 C ATOM 1696 C ARG B 100 4.067 1.617 26.418 1.00 0.00 C ATOM 1697 O ARG B 100 4.903 1.382 27.290 1.00 0.00 O ATOM 1698 CB ARG B 100 2.853 3.745 26.943 1.00 0.00 C ATOM 1699 CG ARG B 100 2.849 5.259 26.798 1.00 0.00 C ATOM 1700 CD ARG B 100 1.912 5.916 27.801 1.00 0.00 C ATOM 1701 NE ARG B 100 2.467 5.916 29.156 1.00 0.00 N ATOM 1702 CZ ARG B 100 1.845 6.430 30.218 1.00 0.00 C ATOM 1703 NH1 ARG B 100 0.646 6.988 30.095 1.00 0.00 N ATOM 1704 NH2 ARG B 100 2.426 6.384 31.409 1.00 0.00 N ATOM 0 H ARG B 100 2.174 3.139 24.617 1.00 0.00 H new ATOM 0 HA ARG B 100 4.707 3.610 25.905 1.00 0.00 H new ATOM 0 HB2 ARG B 100 1.838 3.373 26.806 1.00 0.00 H new ATOM 0 HB3 ARG B 100 3.153 3.487 27.959 1.00 0.00 H new ATOM 0 HG2 ARG B 100 3.860 5.641 26.939 1.00 0.00 H new ATOM 0 HG3 ARG B 100 2.546 5.527 25.786 1.00 0.00 H new ATOM 0 HD2 ARG B 100 1.712 6.942 27.492 1.00 0.00 H new ATOM 0 HD3 ARG B 100 0.957 5.391 27.801 1.00 0.00 H new ATOM 0 HE ARG B 100 3.386 5.497 29.296 1.00 0.00 H new ATOM 0 HH11 ARG B 100 0.193 7.026 29.182 1.00 0.00 H new ATOM 0 HH12 ARG B 100 0.179 7.378 30.913 1.00 0.00 H new ATOM 0 HH21 ARG B 100 3.346 5.956 31.511 1.00 0.00 H new ATOM 0 HH22 ARG B 100 1.953 6.776 32.223 1.00 0.00 H new ATOM 1718 N LEU B 101 3.338 0.681 25.807 1.00 0.00 N ATOM 1719 CA LEU B 101 3.493 -0.736 26.073 1.00 0.00 C ATOM 1720 C LEU B 101 4.236 -1.390 24.916 1.00 0.00 C ATOM 1721 O LEU B 101 4.795 -2.478 25.065 1.00 0.00 O ATOM 1722 CB LEU B 101 2.131 -1.415 26.266 1.00 0.00 C ATOM 1723 CG LEU B 101 1.488 -1.228 27.645 1.00 0.00 C ATOM 1724 CD1 LEU B 101 -0.004 -1.520 27.579 1.00 0.00 C ATOM 1725 CD2 LEU B 101 2.155 -2.126 28.681 1.00 0.00 C ATOM 0 H LEU B 101 2.622 0.894 25.112 1.00 0.00 H new ATOM 0 HA LEU B 101 4.064 -0.854 26.994 1.00 0.00 H new ATOM 0 HB2 LEU B 101 1.445 -1.034 25.510 1.00 0.00 H new ATOM 0 HB3 LEU B 101 2.248 -2.483 26.081 1.00 0.00 H new ATOM 0 HG LEU B 101 1.630 -0.191 27.948 1.00 0.00 H new ATOM 0 HD11 LEU B 101 -0.446 -1.383 28.566 1.00 0.00 H new ATOM 0 HD12 LEU B 101 -0.477 -0.839 26.872 1.00 0.00 H new ATOM 0 HD13 LEU B 101 -0.159 -2.548 27.252 1.00 0.00 H new ATOM 0 HD21 LEU B 101 1.682 -1.976 29.651 1.00 0.00 H new ATOM 0 HD22 LEU B 101 2.047 -3.169 28.382 1.00 0.00 H new ATOM 0 HD23 LEU B 101 3.214 -1.877 28.751 1.00 0.00 H new ATOM 1737 N LEU B 102 4.239 -0.715 23.752 1.00 0.00 N ATOM 1738 CA LEU B 102 4.932 -1.237 22.565 1.00 0.00 C ATOM 1739 C LEU B 102 6.433 -1.354 22.825 1.00 0.00 C ATOM 1740 O LEU B 102 7.053 -2.366 22.493 1.00 0.00 O ATOM 1741 CB LEU B 102 4.685 -0.340 21.346 1.00 0.00 C ATOM 1742 CG LEU B 102 4.952 -0.990 19.983 1.00 0.00 C ATOM 1743 CD1 LEU B 102 3.947 -0.498 18.954 1.00 0.00 C ATOM 1744 CD2 LEU B 102 6.372 -0.698 19.519 1.00 0.00 C ATOM 0 H LEU B 102 3.775 0.182 23.611 1.00 0.00 H new ATOM 0 HA LEU B 102 4.530 -2.228 22.355 1.00 0.00 H new ATOM 0 HB2 LEU B 102 3.650 -0.001 21.370 1.00 0.00 H new ATOM 0 HB3 LEU B 102 5.313 0.546 21.436 1.00 0.00 H new ATOM 0 HG LEU B 102 4.840 -2.069 20.090 1.00 0.00 H new ATOM 0 HD11 LEU B 102 4.151 -0.969 17.992 1.00 0.00 H new ATOM 0 HD12 LEU B 102 2.939 -0.756 19.278 1.00 0.00 H new ATOM 0 HD13 LEU B 102 4.030 0.584 18.853 1.00 0.00 H new ATOM 0 HD21 LEU B 102 6.542 -1.168 18.550 1.00 0.00 H new ATOM 0 HD22 LEU B 102 6.511 0.379 19.429 1.00 0.00 H new ATOM 0 HD23 LEU B 102 7.081 -1.096 20.245 1.00 0.00 H new