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 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0828 USER MOD Single : A 31 HIS : no HE2:sc= 0.144 K(o=0.14,f=-0.55) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 67 THR OG1 : rot 180:sc= -0.092 USER MOD Single : B 91 HIS : no HE2:sc= 0.14 K(o=0.14,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 25 N ILE A 2 0.169 -1.841 -30.510 1.00 0.00 N ATOM 26 CA ILE A 2 -0.459 -2.345 -29.291 1.00 0.00 C ATOM 27 C ILE A 2 -1.591 -1.419 -28.827 1.00 0.00 C ATOM 28 O ILE A 2 -1.582 -0.229 -29.142 1.00 0.00 O ATOM 29 CB ILE A 2 0.568 -2.517 -28.141 1.00 0.00 C ATOM 30 CG1 ILE A 2 1.533 -1.325 -28.068 1.00 0.00 C ATOM 31 CG2 ILE A 2 1.343 -3.815 -28.318 1.00 0.00 C ATOM 32 CD1 ILE A 2 1.096 -0.247 -27.100 1.00 0.00 C ATOM 0 HA ILE A 2 -0.873 -3.323 -29.535 1.00 0.00 H new ATOM 0 HB ILE A 2 0.016 -2.557 -27.202 1.00 0.00 H new ATOM 0 HG12 ILE A 2 2.520 -1.685 -27.776 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.634 -0.889 -29.062 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.061 -3.924 -27.505 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.651 -4.657 -28.306 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.874 -3.795 -29.270 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.826 0.562 -27.102 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.123 0.141 -27.403 1.00 0.00 H new ATOM 0 HD13 ILE A 2 1.023 -0.667 -26.097 1.00 0.00 H new ATOM 44 N PRO A 3 -2.583 -1.953 -28.068 1.00 0.00 N ATOM 45 CA PRO A 3 -3.714 -1.155 -27.567 1.00 0.00 C ATOM 46 C PRO A 3 -3.284 -0.104 -26.546 1.00 0.00 C ATOM 47 O PRO A 3 -2.344 -0.321 -25.779 1.00 0.00 O ATOM 48 CB PRO A 3 -4.633 -2.191 -26.903 1.00 0.00 C ATOM 49 CG PRO A 3 -4.157 -3.521 -27.376 1.00 0.00 C ATOM 50 CD PRO A 3 -2.689 -3.363 -27.645 1.00 0.00 C ATOM 0 HA PRO A 3 -4.192 -0.596 -28.372 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -4.580 -2.121 -25.817 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -5.674 -2.026 -27.183 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -4.335 -4.289 -26.624 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -4.688 -3.828 -28.277 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -2.091 -3.564 -26.756 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -2.345 -4.045 -28.422 1.00 0.00 H new ATOM 58 N SER A 4 -3.983 1.032 -26.544 1.00 0.00 N ATOM 59 CA SER A 4 -3.684 2.128 -25.620 1.00 0.00 C ATOM 60 C SER A 4 -4.286 1.875 -24.237 1.00 0.00 C ATOM 61 O SER A 4 -3.831 2.443 -23.243 1.00 0.00 O ATOM 62 CB SER A 4 -4.210 3.450 -26.181 1.00 0.00 C ATOM 63 OG SER A 4 -3.615 3.748 -27.432 1.00 0.00 O ATOM 0 H SER A 4 -4.763 1.218 -27.174 1.00 0.00 H new ATOM 0 HA SER A 4 -2.601 2.185 -25.512 1.00 0.00 H new ATOM 0 HB2 SER A 4 -5.293 3.395 -26.294 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.004 4.255 -25.476 1.00 0.00 H new ATOM 0 HG SER A 4 -3.970 4.597 -27.769 1.00 0.00 H new ATOM 69 N ILE A 5 -5.307 1.017 -24.185 1.00 0.00 N ATOM 70 CA ILE A 5 -5.978 0.683 -22.927 1.00 0.00 C ATOM 71 C ILE A 5 -5.215 -0.406 -22.165 1.00 0.00 C ATOM 72 O ILE A 5 -5.362 -0.540 -20.949 1.00 0.00 O ATOM 73 CB ILE A 5 -7.437 0.212 -23.161 1.00 0.00 C ATOM 74 CG1 ILE A 5 -8.133 1.088 -24.210 1.00 0.00 C ATOM 75 CG2 ILE A 5 -8.227 0.233 -21.857 1.00 0.00 C ATOM 76 CD1 ILE A 5 -8.122 0.493 -25.601 1.00 0.00 C ATOM 0 H ILE A 5 -5.688 0.540 -25.002 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.996 1.596 -22.332 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.401 -0.812 -23.532 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -9.166 1.255 -23.904 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.647 2.063 -24.237 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -9.247 -0.101 -22.044 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.754 -0.432 -21.134 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.245 1.247 -21.459 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.632 1.167 -26.289 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.092 0.351 -25.928 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.635 -0.469 -25.589 1.00 0.00 H new ATOM 88 N ALA A 6 -4.402 -1.177 -22.892 1.00 0.00 N ATOM 89 CA ALA A 6 -3.616 -2.255 -22.293 1.00 0.00 C ATOM 90 C ALA A 6 -2.309 -1.734 -21.697 1.00 0.00 C ATOM 91 O ALA A 6 -1.837 -2.244 -20.678 1.00 0.00 O ATOM 92 CB ALA A 6 -3.331 -3.334 -23.328 1.00 0.00 C ATOM 0 H ALA A 6 -4.272 -1.073 -23.898 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.203 -2.684 -21.481 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -2.745 -4.131 -22.871 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.272 -3.741 -23.698 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.771 -2.903 -24.158 1.00 0.00 H new ATOM 98 N THR A 7 -1.734 -0.711 -22.335 1.00 0.00 N ATOM 99 CA THR A 7 -0.476 -0.113 -21.881 1.00 0.00 C ATOM 100 C THR A 7 -0.627 0.528 -20.496 1.00 0.00 C ATOM 101 O THR A 7 0.343 0.620 -19.739 1.00 0.00 O ATOM 102 CB THR A 7 0.033 0.951 -22.877 1.00 0.00 C ATOM 103 OG1 THR A 7 -0.369 0.611 -24.211 1.00 0.00 O ATOM 104 CG2 THR A 7 1.552 1.068 -22.823 1.00 0.00 C ATOM 0 H THR A 7 -2.123 -0.278 -23.173 1.00 0.00 H new ATOM 0 HA THR A 7 0.251 -0.923 -21.821 1.00 0.00 H new ATOM 0 HB THR A 7 -0.403 1.910 -22.595 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.043 1.293 -24.835 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.884 1.824 -23.534 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.859 1.356 -21.818 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.000 0.108 -23.079 1.00 0.00 H new ATOM 112 N GLY A 8 -1.845 0.969 -20.176 1.00 0.00 N ATOM 113 CA GLY A 8 -2.110 1.586 -18.885 1.00 0.00 C ATOM 114 C GLY A 8 -2.336 0.557 -17.792 1.00 0.00 C ATOM 115 O GLY A 8 -1.790 0.676 -16.687 1.00 0.00 O ATOM 0 H GLY A 8 -2.656 0.909 -20.792 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.271 2.226 -18.611 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.988 2.228 -18.964 1.00 0.00 H new ATOM 119 N LEU A 9 -3.134 -0.464 -18.112 1.00 0.00 N ATOM 120 CA LEU A 9 -3.446 -1.534 -17.167 1.00 0.00 C ATOM 121 C LEU A 9 -2.189 -2.298 -16.763 1.00 0.00 C ATOM 122 O LEU A 9 -1.996 -2.609 -15.589 1.00 0.00 O ATOM 123 CB LEU A 9 -4.465 -2.505 -17.779 1.00 0.00 C ATOM 124 CG LEU A 9 -5.850 -1.914 -18.064 1.00 0.00 C ATOM 125 CD1 LEU A 9 -6.557 -2.715 -19.145 1.00 0.00 C ATOM 126 CD2 LEU A 9 -6.692 -1.876 -16.795 1.00 0.00 C ATOM 0 H LEU A 9 -3.577 -0.571 -19.024 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.873 -1.076 -16.275 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.056 -2.893 -18.712 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.583 -3.353 -17.105 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.719 -0.892 -18.418 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.539 -2.282 -19.335 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.966 -2.691 -20.061 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.673 -3.747 -18.815 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.671 -1.453 -17.020 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.814 -2.888 -16.409 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.194 -1.260 -16.046 1.00 0.00 H new ATOM 138 N VAL A 10 -1.328 -2.585 -17.740 1.00 0.00 N ATOM 139 CA VAL A 10 -0.088 -3.322 -17.481 1.00 0.00 C ATOM 140 C VAL A 10 0.826 -2.571 -16.512 1.00 0.00 C ATOM 141 O VAL A 10 1.404 -3.166 -15.602 1.00 0.00 O ATOM 142 CB VAL A 10 0.676 -3.641 -18.791 1.00 0.00 C ATOM 143 CG1 VAL A 10 -0.116 -4.629 -19.638 1.00 0.00 C ATOM 144 CG2 VAL A 10 0.977 -2.377 -19.591 1.00 0.00 C ATOM 0 H VAL A 10 -1.465 -2.320 -18.715 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.380 -4.264 -17.017 1.00 0.00 H new ATOM 0 HB VAL A 10 1.630 -4.092 -18.516 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.433 -4.844 -20.555 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.263 -5.553 -19.078 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.086 -4.198 -19.888 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.513 -2.642 -20.502 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.042 -1.880 -19.852 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.591 -1.704 -18.992 1.00 0.00 H new ATOM 154 N GLY A 11 0.923 -1.258 -16.703 1.00 0.00 N ATOM 155 CA GLY A 11 1.763 -0.431 -15.848 1.00 0.00 C ATOM 156 C GLY A 11 1.254 -0.346 -14.422 1.00 0.00 C ATOM 157 O GLY A 11 2.016 -0.547 -13.473 1.00 0.00 O ATOM 0 H GLY A 11 0.433 -0.748 -17.438 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.776 -0.834 -15.843 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.822 0.573 -16.268 1.00 0.00 H new ATOM 161 N ALA A 12 -0.042 -0.069 -14.270 1.00 0.00 N ATOM 162 CA ALA A 12 -0.649 0.064 -12.945 1.00 0.00 C ATOM 163 C ALA A 12 -0.835 -1.276 -12.244 1.00 0.00 C ATOM 164 O ALA A 12 -0.540 -1.400 -11.055 1.00 0.00 O ATOM 165 CB ALA A 12 -1.977 0.798 -13.044 1.00 0.00 C ATOM 0 H ALA A 12 -0.690 0.067 -15.046 1.00 0.00 H new ATOM 0 HA ALA A 12 0.043 0.645 -12.336 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.417 0.890 -12.051 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.813 1.792 -13.461 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.654 0.240 -13.691 1.00 0.00 H new ATOM 171 N LEU A 13 -1.320 -2.277 -12.974 1.00 0.00 N ATOM 172 CA LEU A 13 -1.541 -3.601 -12.400 1.00 0.00 C ATOM 173 C LEU A 13 -0.219 -4.253 -11.996 1.00 0.00 C ATOM 174 O LEU A 13 -0.138 -4.908 -10.953 1.00 0.00 O ATOM 175 CB LEU A 13 -2.312 -4.488 -13.383 1.00 0.00 C ATOM 176 CG LEU A 13 -3.838 -4.323 -13.352 1.00 0.00 C ATOM 177 CD1 LEU A 13 -4.259 -2.945 -13.859 1.00 0.00 C ATOM 178 CD2 LEU A 13 -4.504 -5.416 -14.174 1.00 0.00 C ATOM 0 H LEU A 13 -1.567 -2.197 -13.960 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.142 -3.486 -11.498 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.960 -4.276 -14.392 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.071 -5.530 -13.174 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.164 -4.411 -12.316 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.345 -2.861 -13.824 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.815 -2.174 -13.229 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.918 -2.815 -14.886 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.586 -5.286 -14.143 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.161 -5.355 -15.207 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.243 -6.391 -13.762 1.00 0.00 H new ATOM 190 N LEU A 14 0.821 -4.063 -12.817 1.00 0.00 N ATOM 191 CA LEU A 14 2.139 -4.621 -12.519 1.00 0.00 C ATOM 192 C LEU A 14 2.806 -3.864 -11.375 1.00 0.00 C ATOM 193 O LEU A 14 3.438 -4.469 -10.507 1.00 0.00 O ATOM 194 CB LEU A 14 3.036 -4.600 -13.762 1.00 0.00 C ATOM 195 CG LEU A 14 3.104 -5.917 -14.541 1.00 0.00 C ATOM 196 CD1 LEU A 14 1.852 -6.113 -15.386 1.00 0.00 C ATOM 197 CD2 LEU A 14 4.347 -5.950 -15.419 1.00 0.00 C ATOM 0 H LEU A 14 0.773 -3.531 -13.686 1.00 0.00 H new ATOM 0 HA LEU A 14 1.999 -5.657 -12.211 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.681 -3.818 -14.433 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.046 -4.325 -13.457 1.00 0.00 H new ATOM 0 HG LEU A 14 3.161 -6.735 -13.823 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.924 -7.055 -15.930 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.976 -6.134 -14.738 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.759 -5.291 -16.095 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.381 -6.892 -15.966 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.315 -5.121 -16.126 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.236 -5.861 -14.795 1.00 0.00 H new ATOM 209 N LEU A 15 2.643 -2.538 -11.367 1.00 0.00 N ATOM 210 CA LEU A 15 3.228 -1.704 -10.315 1.00 0.00 C ATOM 211 C LEU A 15 2.507 -1.937 -8.990 1.00 0.00 C ATOM 212 O LEU A 15 3.135 -1.975 -7.931 1.00 0.00 O ATOM 213 CB LEU A 15 3.164 -0.222 -10.697 1.00 0.00 C ATOM 214 CG LEU A 15 4.515 0.426 -11.021 1.00 0.00 C ATOM 215 CD1 LEU A 15 4.773 0.409 -12.520 1.00 0.00 C ATOM 216 CD2 LEU A 15 4.567 1.849 -10.485 1.00 0.00 C ATOM 0 H LEU A 15 2.115 -2.023 -12.071 1.00 0.00 H new ATOM 0 HA LEU A 15 4.275 -1.985 -10.201 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.510 -0.114 -11.562 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.702 0.329 -9.878 1.00 0.00 H new ATOM 0 HG LEU A 15 5.299 -0.154 -10.533 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.737 0.873 -12.729 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.782 -0.621 -12.876 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.985 0.963 -13.031 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.533 2.293 -10.724 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.773 2.439 -10.943 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.432 1.836 -9.403 1.00 0.00 H new ATOM 228 N LEU A 16 1.186 -2.109 -9.065 1.00 0.00 N ATOM 229 CA LEU A 16 0.367 -2.353 -7.879 1.00 0.00 C ATOM 230 C LEU A 16 0.626 -3.751 -7.323 1.00 0.00 C ATOM 231 O LEU A 16 0.609 -3.956 -6.110 1.00 0.00 O ATOM 232 CB LEU A 16 -1.121 -2.194 -8.216 1.00 0.00 C ATOM 233 CG LEU A 16 -2.009 -1.738 -7.054 1.00 0.00 C ATOM 234 CD1 LEU A 16 -2.009 -0.220 -6.939 1.00 0.00 C ATOM 235 CD2 LEU A 16 -3.426 -2.259 -7.232 1.00 0.00 C ATOM 0 H LEU A 16 0.660 -2.083 -9.939 1.00 0.00 H new ATOM 0 HA LEU A 16 0.640 -1.619 -7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.218 -1.475 -9.030 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.497 -3.148 -8.587 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.602 -2.150 -6.130 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.646 0.082 -6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.992 0.132 -6.764 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.389 0.215 -7.863 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.044 -1.926 -6.398 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.840 -1.877 -8.165 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.412 -3.349 -7.261 1.00 0.00 H new ATOM 247 N LEU A 17 0.872 -4.708 -8.223 1.00 0.00 N ATOM 248 CA LEU A 17 1.144 -6.091 -7.833 1.00 0.00 C ATOM 249 C LEU A 17 2.498 -6.213 -7.128 1.00 0.00 C ATOM 250 O LEU A 17 2.609 -6.883 -6.098 1.00 0.00 O ATOM 251 CB LEU A 17 1.105 -7.005 -9.066 1.00 0.00 C ATOM 252 CG LEU A 17 0.767 -8.473 -8.786 1.00 0.00 C ATOM 253 CD1 LEU A 17 -0.026 -9.065 -9.942 1.00 0.00 C ATOM 254 CD2 LEU A 17 2.035 -9.278 -8.544 1.00 0.00 C ATOM 0 H LEU A 17 0.888 -4.547 -9.230 1.00 0.00 H new ATOM 0 HA LEU A 17 0.370 -6.402 -7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.371 -6.609 -9.768 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.075 -6.961 -9.560 1.00 0.00 H new ATOM 0 HG LEU A 17 0.154 -8.519 -7.886 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.258 -10.108 -9.728 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.953 -8.506 -10.071 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.564 -9.005 -10.856 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.774 -10.318 -8.347 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.673 -9.225 -9.426 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.568 -8.869 -7.685 1.00 0.00 H new ATOM 266 N VAL A 18 3.523 -5.553 -7.683 1.00 0.00 N ATOM 267 CA VAL A 18 4.871 -5.591 -7.105 1.00 0.00 C ATOM 268 C VAL A 18 4.930 -4.831 -5.775 1.00 0.00 C ATOM 269 O VAL A 18 5.511 -5.317 -4.803 1.00 0.00 O ATOM 270 CB VAL A 18 5.928 -5.010 -8.081 1.00 0.00 C ATOM 271 CG1 VAL A 18 7.326 -5.072 -7.478 1.00 0.00 C ATOM 272 CG2 VAL A 18 5.896 -5.747 -9.412 1.00 0.00 C ATOM 0 H VAL A 18 3.444 -4.988 -8.529 1.00 0.00 H new ATOM 0 HA VAL A 18 5.104 -6.640 -6.923 1.00 0.00 H new ATOM 0 HB VAL A 18 5.678 -3.964 -8.256 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.046 -4.658 -8.184 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.350 -4.493 -6.555 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.584 -6.109 -7.263 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.645 -5.323 -10.081 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.112 -6.803 -9.248 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.908 -5.644 -9.861 1.00 0.00 H new ATOM 282 N VAL A 19 4.320 -3.642 -5.739 1.00 0.00 N ATOM 283 CA VAL A 19 4.306 -2.816 -4.528 1.00 0.00 C ATOM 284 C VAL A 19 3.487 -3.480 -3.414 1.00 0.00 C ATOM 285 O VAL A 19 3.901 -3.489 -2.251 1.00 0.00 O ATOM 286 CB VAL A 19 3.753 -1.397 -4.818 1.00 0.00 C ATOM 287 CG1 VAL A 19 3.600 -0.587 -3.536 1.00 0.00 C ATOM 288 CG2 VAL A 19 4.658 -0.661 -5.797 1.00 0.00 C ATOM 0 H VAL A 19 3.830 -3.231 -6.534 1.00 0.00 H new ATOM 0 HA VAL A 19 5.339 -2.721 -4.192 1.00 0.00 H new ATOM 0 HB VAL A 19 2.766 -1.512 -5.265 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.210 0.402 -3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.909 -1.096 -2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.571 -0.487 -3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.254 0.333 -5.989 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.657 -0.571 -5.371 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.711 -1.218 -6.733 1.00 0.00 H new ATOM 298 N ALA A 20 2.332 -4.046 -3.779 1.00 0.00 N ATOM 299 CA ALA A 20 1.460 -4.721 -2.813 1.00 0.00 C ATOM 300 C ALA A 20 2.112 -5.998 -2.287 1.00 0.00 C ATOM 301 O ALA A 20 2.008 -6.312 -1.098 1.00 0.00 O ATOM 302 CB ALA A 20 0.109 -5.036 -3.438 1.00 0.00 C ATOM 0 H ALA A 20 1.980 -4.050 -4.736 1.00 0.00 H new ATOM 0 HA ALA A 20 1.305 -4.045 -1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.523 -5.537 -2.705 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.369 -4.110 -3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.250 -5.687 -4.300 1.00 0.00 H new ATOM 308 N LEU A 21 2.787 -6.729 -3.179 1.00 0.00 N ATOM 309 CA LEU A 21 3.471 -7.967 -2.808 1.00 0.00 C ATOM 310 C LEU A 21 4.672 -7.670 -1.909 1.00 0.00 C ATOM 311 O LEU A 21 4.978 -8.436 -0.992 1.00 0.00 O ATOM 312 CB LEU A 21 3.927 -8.721 -4.062 1.00 0.00 C ATOM 313 CG LEU A 21 4.050 -10.239 -3.906 1.00 0.00 C ATOM 314 CD1 LEU A 21 2.731 -10.923 -4.233 1.00 0.00 C ATOM 315 CD2 LEU A 21 5.165 -10.776 -4.791 1.00 0.00 C ATOM 0 H LEU A 21 2.873 -6.482 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 21 2.770 -8.593 -2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.223 -8.511 -4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.894 -8.325 -4.372 1.00 0.00 H new ATOM 0 HG LEU A 21 4.298 -10.457 -2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.841 -12.001 -4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.956 -10.562 -3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.449 -10.697 -5.261 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.239 -11.857 -4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.946 -10.544 -5.833 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.110 -10.313 -4.507 1.00 0.00 H new ATOM 327 N GLY A 22 5.341 -6.544 -2.180 1.00 0.00 N ATOM 328 CA GLY A 22 6.495 -6.144 -1.390 1.00 0.00 C ATOM 329 C GLY A 22 6.118 -5.758 0.028 1.00 0.00 C ATOM 330 O GLY A 22 6.682 -6.284 0.991 1.00 0.00 O ATOM 0 H GLY A 22 5.100 -5.902 -2.936 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.214 -6.962 -1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.989 -5.302 -1.874 1.00 0.00 H new ATOM 334 N ILE A 23 5.151 -4.844 0.158 1.00 0.00 N ATOM 335 CA ILE A 23 4.687 -4.393 1.473 1.00 0.00 C ATOM 336 C ILE A 23 4.001 -5.537 2.222 1.00 0.00 C ATOM 337 O ILE A 23 4.115 -5.645 3.444 1.00 0.00 O ATOM 338 CB ILE A 23 3.710 -3.193 1.367 1.00 0.00 C ATOM 339 CG1 ILE A 23 4.293 -2.099 0.463 1.00 0.00 C ATOM 340 CG2 ILE A 23 3.408 -2.629 2.754 1.00 0.00 C ATOM 341 CD1 ILE A 23 3.244 -1.206 -0.167 1.00 0.00 C ATOM 0 H ILE A 23 4.676 -4.403 -0.630 1.00 0.00 H new ATOM 0 HA ILE A 23 5.569 -4.067 2.024 1.00 0.00 H new ATOM 0 HB ILE A 23 2.779 -3.547 0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.978 -1.484 1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.880 -2.567 -0.327 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.721 -1.788 2.663 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.953 -3.404 3.371 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.334 -2.292 3.220 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.731 -0.457 -0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.573 -1.809 -0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.672 -0.708 0.616 1.00 0.00 H new ATOM 353 N GLY A 24 3.296 -6.392 1.476 1.00 0.00 N ATOM 354 CA GLY A 24 2.607 -7.525 2.078 1.00 0.00 C ATOM 355 C GLY A 24 3.569 -8.536 2.676 1.00 0.00 C ATOM 356 O GLY A 24 3.375 -8.994 3.803 1.00 0.00 O ATOM 0 H GLY A 24 3.191 -6.319 0.464 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.933 -7.165 2.855 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.992 -8.015 1.324 1.00 0.00 H new ATOM 360 N LEU A 25 4.618 -8.871 1.919 1.00 0.00 N ATOM 361 CA LEU A 25 5.627 -9.829 2.373 1.00 0.00 C ATOM 362 C LEU A 25 6.559 -9.204 3.412 1.00 0.00 C ATOM 363 O LEU A 25 7.151 -9.912 4.229 1.00 0.00 O ATOM 364 CB LEU A 25 6.447 -10.343 1.185 1.00 0.00 C ATOM 365 CG LEU A 25 5.698 -11.275 0.225 1.00 0.00 C ATOM 366 CD1 LEU A 25 6.308 -11.207 -1.165 1.00 0.00 C ATOM 367 CD2 LEU A 25 5.714 -12.707 0.743 1.00 0.00 C ATOM 0 H LEU A 25 4.790 -8.492 0.988 1.00 0.00 H new ATOM 0 HA LEU A 25 5.105 -10.664 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.814 -9.486 0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.321 -10.870 1.569 1.00 0.00 H new ATOM 0 HG LEU A 25 4.661 -10.944 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.765 -11.874 -1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.244 -10.186 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.353 -11.512 -1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.177 -13.352 0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.745 -13.050 0.834 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.231 -12.746 1.720 1.00 0.00 H new ATOM 379 N PHE A 26 6.683 -7.874 3.374 1.00 0.00 N ATOM 380 CA PHE A 26 7.537 -7.146 4.314 1.00 0.00 C ATOM 381 C PHE A 26 6.865 -7.010 5.684 1.00 0.00 C ATOM 382 O PHE A 26 7.532 -7.095 6.718 1.00 0.00 O ATOM 383 CB PHE A 26 7.876 -5.761 3.756 1.00 0.00 C ATOM 384 CG PHE A 26 9.174 -5.202 4.271 1.00 0.00 C ATOM 385 CD1 PHE A 26 9.204 -4.431 5.422 1.00 0.00 C ATOM 386 CD2 PHE A 26 10.363 -5.447 3.602 1.00 0.00 C ATOM 387 CE1 PHE A 26 10.395 -3.916 5.897 1.00 0.00 C ATOM 388 CE2 PHE A 26 11.558 -4.934 4.073 1.00 0.00 C ATOM 389 CZ PHE A 26 11.573 -4.167 5.222 1.00 0.00 C ATOM 0 H PHE A 26 6.201 -7.279 2.700 1.00 0.00 H new ATOM 0 HA PHE A 26 8.457 -7.716 4.443 1.00 0.00 H new ATOM 0 HB2 PHE A 26 7.922 -5.819 2.668 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.069 -5.071 4.005 1.00 0.00 H new ATOM 0 HD1 PHE A 26 8.286 -4.230 5.954 1.00 0.00 H new ATOM 0 HD2 PHE A 26 10.356 -6.045 2.703 1.00 0.00 H new ATOM 0 HE1 PHE A 26 10.404 -3.317 6.796 1.00 0.00 H new ATOM 0 HE2 PHE A 26 12.478 -5.133 3.543 1.00 0.00 H new ATOM 0 HZ PHE A 26 12.505 -3.764 5.592 1.00 0.00 H new ATOM 399 N ILE A 27 5.548 -6.796 5.680 1.00 0.00 N ATOM 400 CA ILE A 27 4.783 -6.646 6.923 1.00 0.00 C ATOM 401 C ILE A 27 4.399 -8.010 7.505 1.00 0.00 C ATOM 402 O ILE A 27 4.333 -8.171 8.726 1.00 0.00 O ATOM 403 CB ILE A 27 3.501 -5.796 6.706 1.00 0.00 C ATOM 404 CG1 ILE A 27 3.842 -4.408 6.124 1.00 0.00 C ATOM 405 CG2 ILE A 27 2.712 -5.652 8.007 1.00 0.00 C ATOM 406 CD1 ILE A 27 4.806 -3.583 6.962 1.00 0.00 C ATOM 0 H ILE A 27 4.987 -6.722 4.831 1.00 0.00 H new ATOM 0 HA ILE A 27 5.429 -6.127 7.631 1.00 0.00 H new ATOM 0 HB ILE A 27 2.877 -6.322 5.983 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.270 -4.542 5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.917 -3.845 6.000 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.820 -5.053 7.827 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.420 -6.639 8.367 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.333 -5.162 8.757 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.985 -2.625 6.473 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.376 -3.412 7.949 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.749 -4.120 7.066 1.00 0.00 H new ATOM 418 N ARG A 28 4.149 -8.988 6.628 1.00 0.00 N ATOM 419 CA ARG A 28 3.773 -10.338 7.060 1.00 0.00 C ATOM 420 C ARG A 28 4.924 -11.027 7.797 1.00 0.00 C ATOM 421 O ARG A 28 4.699 -11.897 8.639 1.00 0.00 O ATOM 422 CB ARG A 28 3.349 -11.182 5.854 1.00 0.00 C ATOM 423 CG ARG A 28 2.272 -12.208 6.174 1.00 0.00 C ATOM 424 CD ARG A 28 1.886 -13.016 4.943 1.00 0.00 C ATOM 425 NE ARG A 28 1.059 -12.245 4.014 1.00 0.00 N ATOM 426 CZ ARG A 28 0.585 -12.724 2.862 1.00 0.00 C ATOM 427 NH1 ARG A 28 0.850 -13.970 2.487 1.00 0.00 N ATOM 428 NH2 ARG A 28 -0.157 -11.949 2.082 1.00 0.00 N ATOM 0 H ARG A 28 4.200 -8.870 5.616 1.00 0.00 H new ATOM 0 HA ARG A 28 2.933 -10.246 7.749 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.986 -10.520 5.068 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.223 -11.698 5.457 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.629 -12.880 6.954 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.391 -11.701 6.568 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.789 -13.350 4.432 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.345 -13.910 5.252 1.00 0.00 H new ATOM 0 HE ARG A 28 0.831 -11.282 4.262 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.421 -14.571 3.081 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.483 -14.326 1.605 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.363 -10.991 2.363 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.521 -12.311 1.201 1.00 0.00 H new ATOM 442 N ARG A 29 6.156 -10.625 7.472 1.00 0.00 N ATOM 443 CA ARG A 29 7.350 -11.195 8.099 1.00 0.00 C ATOM 444 C ARG A 29 7.636 -10.539 9.451 1.00 0.00 C ATOM 445 O ARG A 29 8.374 -11.088 10.271 1.00 0.00 O ATOM 446 CB ARG A 29 8.562 -11.034 7.178 1.00 0.00 C ATOM 447 CG ARG A 29 8.564 -11.994 5.998 1.00 0.00 C ATOM 448 CD ARG A 29 9.787 -11.792 5.118 1.00 0.00 C ATOM 449 NE ARG A 29 9.799 -12.709 3.980 1.00 0.00 N ATOM 450 CZ ARG A 29 10.762 -12.740 3.054 1.00 0.00 C ATOM 451 NH1 ARG A 29 11.794 -11.907 3.125 1.00 0.00 N ATOM 452 NH2 ARG A 29 10.689 -13.608 2.055 1.00 0.00 N ATOM 0 H ARG A 29 6.352 -9.905 6.776 1.00 0.00 H new ATOM 0 HA ARG A 29 7.162 -12.256 8.267 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.589 -10.011 6.803 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.472 -11.185 7.759 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.543 -13.021 6.363 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.660 -11.847 5.406 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.807 -10.764 4.756 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.689 -11.939 5.712 1.00 0.00 H new ATOM 0 HE ARG A 29 9.024 -13.366 3.887 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.856 -11.236 3.891 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.524 -11.938 2.414 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.899 -14.250 1.994 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.423 -13.634 1.347 1.00 0.00 H new ATOM 466 N ARG A 30 7.046 -9.362 9.674 1.00 0.00 N ATOM 467 CA ARG A 30 7.234 -8.621 10.924 1.00 0.00 C ATOM 468 C ARG A 30 6.282 -9.112 12.016 1.00 0.00 C ATOM 469 O ARG A 30 6.541 -8.918 13.206 1.00 0.00 O ATOM 470 CB ARG A 30 7.022 -7.122 10.688 1.00 0.00 C ATOM 471 CG ARG A 30 8.166 -6.453 9.939 1.00 0.00 C ATOM 472 CD ARG A 30 7.907 -4.969 9.732 1.00 0.00 C ATOM 473 NE ARG A 30 8.090 -4.200 10.964 1.00 0.00 N ATOM 474 CZ ARG A 30 7.925 -2.880 11.054 1.00 0.00 C ATOM 475 NH1 ARG A 30 7.573 -2.169 9.988 1.00 0.00 N ATOM 476 NH2 ARG A 30 8.113 -2.267 12.214 1.00 0.00 N ATOM 0 H ARG A 30 6.432 -8.900 9.003 1.00 0.00 H new ATOM 0 HA ARG A 30 8.256 -8.795 11.261 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.099 -6.979 10.127 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.890 -6.627 11.650 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.094 -6.587 10.495 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.301 -6.938 8.972 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.580 -4.588 8.964 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.891 -4.827 9.364 1.00 0.00 H new ATOM 0 HE ARG A 30 8.361 -4.706 11.807 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.427 -2.633 9.091 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.449 -1.160 10.066 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.384 -2.805 13.037 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.987 -1.257 12.284 1.00 0.00 H new ATOM 490 N HIS A 31 5.184 -9.750 11.605 1.00 0.00 N ATOM 491 CA HIS A 31 4.192 -10.271 12.547 1.00 0.00 C ATOM 492 C HIS A 31 4.601 -11.641 13.090 1.00 0.00 C ATOM 493 O HIS A 31 4.120 -12.067 14.142 1.00 0.00 O ATOM 494 CB HIS A 31 2.822 -10.368 11.873 1.00 0.00 C ATOM 495 CG HIS A 31 2.087 -9.064 11.821 1.00 0.00 C ATOM 496 ND1 HIS A 31 2.016 -8.284 10.685 1.00 0.00 N ATOM 497 CD2 HIS A 31 1.385 -8.403 12.772 1.00 0.00 C ATOM 498 CE1 HIS A 31 1.303 -7.201 10.941 1.00 0.00 C ATOM 499 NE2 HIS A 31 0.908 -7.250 12.199 1.00 0.00 N ATOM 0 H HIS A 31 4.959 -9.918 10.624 1.00 0.00 H new ATOM 0 HA HIS A 31 4.135 -9.577 13.386 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.951 -10.744 10.858 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.214 -11.098 12.408 1.00 0.00 H new ATOM 0 HD1 HIS A 31 2.446 -8.508 9.788 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.229 -8.723 13.792 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.081 -6.410 10.240 1.00 0.00 H new ATOM 508 N ILE A 32 5.492 -12.323 12.366 1.00 0.00 N ATOM 509 CA ILE A 32 5.974 -13.645 12.771 1.00 0.00 C ATOM 510 C ILE A 32 7.113 -13.526 13.787 1.00 0.00 C ATOM 511 O ILE A 32 7.295 -14.404 14.633 1.00 0.00 O ATOM 512 CB ILE A 32 6.458 -14.479 11.555 1.00 0.00 C ATOM 513 CG1 ILE A 32 5.510 -14.317 10.348 1.00 0.00 C ATOM 514 CG2 ILE A 32 6.604 -15.953 11.930 1.00 0.00 C ATOM 515 CD1 ILE A 32 4.061 -14.687 10.622 1.00 0.00 C ATOM 0 H ILE A 32 5.895 -11.980 11.494 1.00 0.00 H new ATOM 0 HA ILE A 32 5.130 -14.159 13.231 1.00 0.00 H new ATOM 0 HB ILE A 32 7.437 -14.099 11.264 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.548 -13.281 10.010 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.879 -14.934 9.528 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.944 -16.517 11.062 1.00 0.00 H new ATOM 0 HG22 ILE A 32 7.331 -16.053 12.736 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.641 -16.341 12.260 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.471 -14.541 9.717 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.004 -15.732 10.928 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.668 -14.054 11.417 1.00 0.00 H new ATOM 627 N LEU A 38 1.312 -7.076 22.454 1.00 0.00 N ATOM 628 CA LEU A 38 0.562 -5.897 22.024 1.00 0.00 C ATOM 629 C LEU A 38 -0.920 -6.230 21.868 1.00 0.00 C ATOM 630 O LEU A 38 -1.765 -5.343 21.833 1.00 0.00 O ATOM 631 CB LEU A 38 1.127 -5.347 20.705 1.00 0.00 C ATOM 632 CG LEU A 38 2.464 -4.587 20.805 1.00 0.00 C ATOM 633 CD1 LEU A 38 2.427 -3.538 21.912 1.00 0.00 C ATOM 634 CD2 LEU A 38 3.623 -5.553 21.023 1.00 0.00 C ATOM 0 HA LEU A 38 0.665 -5.130 22.791 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.256 -6.180 20.014 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.385 -4.680 20.266 1.00 0.00 H new ATOM 0 HG LEU A 38 2.619 -4.070 19.858 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.385 -3.021 21.955 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.635 -2.818 21.705 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.234 -4.025 22.868 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.556 -4.993 21.090 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.465 -6.108 21.948 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.678 -6.250 20.187 1.00 0.00 H new ATOM 646 N ARG A 39 -1.194 -7.526 21.767 1.00 0.00 N ATOM 647 CA ARG A 39 -2.539 -8.062 21.619 1.00 0.00 C ATOM 648 C ARG A 39 -3.028 -8.509 22.983 1.00 0.00 C ATOM 649 O ARG A 39 -4.211 -8.392 23.308 1.00 0.00 O ATOM 650 CB ARG A 39 -2.548 -9.236 20.638 1.00 0.00 C ATOM 651 CG ARG A 39 -2.465 -8.810 19.180 1.00 0.00 C ATOM 652 CD ARG A 39 -2.227 -9.998 18.263 1.00 0.00 C ATOM 653 NE ARG A 39 -0.823 -10.410 18.248 1.00 0.00 N ATOM 654 CZ ARG A 39 -0.254 -11.090 17.251 1.00 0.00 C ATOM 655 NH1 ARG A 39 -0.961 -11.443 16.183 1.00 0.00 N ATOM 656 NH2 ARG A 39 1.029 -11.418 17.324 1.00 0.00 N ATOM 0 H ARG A 39 -0.472 -8.246 21.786 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.200 -7.292 21.220 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.709 -9.894 20.864 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.458 -9.817 20.787 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.389 -8.308 18.894 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.658 -8.087 19.057 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.846 -10.835 18.586 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.540 -9.742 17.251 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.243 -10.162 19.050 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.948 -11.194 16.120 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.517 -11.963 15.426 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.578 -11.150 18.141 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.467 -11.938 16.563 1.00 0.00 H new ATOM 670 N ARG A 40 -2.084 -9.029 23.777 1.00 0.00 N ATOM 671 CA ARG A 40 -2.375 -9.471 25.136 1.00 0.00 C ATOM 672 C ARG A 40 -2.557 -8.242 26.013 1.00 0.00 C ATOM 673 O ARG A 40 -3.134 -8.308 27.099 1.00 0.00 O ATOM 674 CB ARG A 40 -1.246 -10.352 25.679 1.00 0.00 C ATOM 675 CG ARG A 40 -1.313 -11.791 25.196 1.00 0.00 C ATOM 676 CD ARG A 40 -0.173 -12.621 25.762 1.00 0.00 C ATOM 677 NE ARG A 40 -0.225 -14.010 25.305 1.00 0.00 N ATOM 678 CZ ARG A 40 0.657 -14.947 25.656 1.00 0.00 C ATOM 679 NH1 ARG A 40 1.666 -14.656 26.468 1.00 0.00 N ATOM 680 NH2 ARG A 40 0.529 -16.183 25.190 1.00 0.00 N ATOM 0 H ARG A 40 -1.111 -9.152 23.496 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.286 -10.069 25.137 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.288 -9.923 25.385 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.280 -10.341 26.768 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.266 -12.231 25.490 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.275 -11.813 24.107 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.778 -12.178 25.468 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.213 -12.596 26.851 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.984 -14.279 24.678 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.772 -13.708 26.830 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.335 -15.380 26.730 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.243 -16.415 24.565 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.202 -16.901 25.457 1.00 0.00 H new ATOM 694 N LEU A 41 -2.040 -7.122 25.508 1.00 0.00 N ATOM 695 CA LEU A 41 -2.146 -5.837 26.169 1.00 0.00 C ATOM 696 C LEU A 41 -3.118 -4.948 25.401 1.00 0.00 C ATOM 697 O LEU A 41 -3.653 -3.984 25.954 1.00 0.00 O ATOM 698 CB LEU A 41 -0.777 -5.149 26.265 1.00 0.00 C ATOM 699 CG LEU A 41 0.034 -5.414 27.549 1.00 0.00 C ATOM 700 CD1 LEU A 41 -0.790 -5.125 28.798 1.00 0.00 C ATOM 701 CD2 LEU A 41 0.564 -6.843 27.576 1.00 0.00 C ATOM 0 H LEU A 41 -1.534 -7.089 24.623 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.515 -6.000 27.181 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.177 -5.462 25.411 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.928 -4.073 26.172 1.00 0.00 H new ATOM 0 HG LEU A 41 0.885 -4.733 27.544 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.188 -5.322 29.685 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.101 -4.080 28.795 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.672 -5.766 28.808 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.132 -7.003 28.492 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.272 -7.542 27.541 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.211 -7.007 26.714 1.00 0.00 H new ATOM 713 N LEU A 42 -3.345 -5.278 24.117 1.00 0.00 N ATOM 714 CA LEU A 42 -4.270 -4.500 23.282 1.00 0.00 C ATOM 715 C LEU A 42 -5.689 -4.567 23.840 1.00 0.00 C ATOM 716 O LEU A 42 -6.384 -3.553 23.921 1.00 0.00 O ATOM 717 CB LEU A 42 -4.259 -5.001 21.833 1.00 0.00 C ATOM 718 CG LEU A 42 -4.794 -4.014 20.787 1.00 0.00 C ATOM 719 CD1 LEU A 42 -4.004 -4.130 19.493 1.00 0.00 C ATOM 720 CD2 LEU A 42 -6.273 -4.255 20.529 1.00 0.00 C ATOM 0 H LEU A 42 -2.906 -6.067 23.643 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.933 -3.464 23.295 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.236 -5.266 21.567 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.849 -5.916 21.779 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.674 -3.003 21.177 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.397 -3.423 18.762 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.955 -3.907 19.686 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.093 -5.143 19.102 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.633 -3.545 19.784 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.417 -5.271 20.161 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.830 -4.122 21.456 1.00 0.00 H new ATOM 1049 N ILE B 62 -1.180 9.750 -28.946 1.00 0.00 N ATOM 1050 CA ILE B 62 -0.510 9.922 -27.657 1.00 0.00 C ATOM 1051 C ILE B 62 0.633 8.913 -27.489 1.00 0.00 C ATOM 1052 O ILE B 62 0.609 7.845 -28.105 1.00 0.00 O ATOM 1053 CB ILE B 62 -1.498 9.784 -26.469 1.00 0.00 C ATOM 1054 CG1 ILE B 62 -2.465 8.609 -26.679 1.00 0.00 C ATOM 1055 CG2 ILE B 62 -2.271 11.079 -26.275 1.00 0.00 C ATOM 1056 CD1 ILE B 62 -2.000 7.317 -26.040 1.00 0.00 C ATOM 0 HA ILE B 62 -0.101 10.932 -27.650 1.00 0.00 H new ATOM 0 HB ILE B 62 -0.917 9.580 -25.570 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -3.440 8.875 -26.272 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -2.600 8.447 -27.748 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -2.961 10.969 -25.438 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -1.574 11.891 -26.067 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -2.833 11.307 -27.181 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -2.733 6.533 -26.230 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -1.039 7.026 -26.465 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -1.893 7.461 -24.965 1.00 0.00 H new ATOM 1068 N PRO B 63 1.652 9.232 -26.651 1.00 0.00 N ATOM 1069 CA PRO B 63 2.797 8.336 -26.416 1.00 0.00 C ATOM 1070 C PRO B 63 2.396 7.054 -25.689 1.00 0.00 C ATOM 1071 O PRO B 63 1.483 7.057 -24.863 1.00 0.00 O ATOM 1072 CB PRO B 63 3.742 9.168 -25.534 1.00 0.00 C ATOM 1073 CG PRO B 63 3.255 10.573 -25.627 1.00 0.00 C ATOM 1074 CD PRO B 63 1.779 10.483 -25.879 1.00 0.00 C ATOM 0 HA PRO B 63 3.245 8.009 -27.354 1.00 0.00 H new ATOM 0 HB2 PRO B 63 3.725 8.816 -24.503 1.00 0.00 H new ATOM 0 HB3 PRO B 63 4.772 9.088 -25.881 1.00 0.00 H new ATOM 0 HG2 PRO B 63 3.461 11.119 -24.706 1.00 0.00 H new ATOM 0 HG3 PRO B 63 3.757 11.107 -26.434 1.00 0.00 H new ATOM 0 HD2 PRO B 63 1.212 10.443 -24.949 1.00 0.00 H new ATOM 0 HD3 PRO B 63 1.412 11.343 -26.439 1.00 0.00 H new ATOM 1082 N SER B 64 3.090 5.960 -26.010 1.00 0.00 N ATOM 1083 CA SER B 64 2.817 4.659 -25.395 1.00 0.00 C ATOM 1084 C SER B 64 3.464 4.545 -24.013 1.00 0.00 C ATOM 1085 O SER B 64 3.043 3.734 -23.188 1.00 0.00 O ATOM 1086 CB SER B 64 3.319 3.532 -26.299 1.00 0.00 C ATOM 1087 OG SER B 64 2.681 3.569 -27.563 1.00 0.00 O ATOM 0 H SER B 64 3.847 5.949 -26.694 1.00 0.00 H new ATOM 0 HA SER B 64 1.738 4.570 -25.271 1.00 0.00 H new ATOM 0 HB2 SER B 64 4.398 3.620 -26.430 1.00 0.00 H new ATOM 0 HB3 SER B 64 3.133 2.569 -25.823 1.00 0.00 H new ATOM 0 HG SER B 64 3.021 2.840 -28.122 1.00 0.00 H new ATOM 1093 N ILE B 65 4.492 5.363 -23.774 1.00 0.00 N ATOM 1094 CA ILE B 65 5.205 5.361 -22.495 1.00 0.00 C ATOM 1095 C ILE B 65 4.473 6.209 -21.450 1.00 0.00 C ATOM 1096 O ILE B 65 4.660 6.021 -20.247 1.00 0.00 O ATOM 1097 CB ILE B 65 6.658 5.883 -22.647 1.00 0.00 C ATOM 1098 CG1 ILE B 65 7.315 5.315 -23.911 1.00 0.00 C ATOM 1099 CG2 ILE B 65 7.491 5.525 -21.421 1.00 0.00 C ATOM 1100 CD1 ILE B 65 7.259 6.252 -25.097 1.00 0.00 C ATOM 0 H ILE B 65 4.850 6.037 -24.451 1.00 0.00 H new ATOM 0 HA ILE B 65 5.238 4.325 -22.159 1.00 0.00 H new ATOM 0 HB ILE B 65 6.614 6.968 -22.737 1.00 0.00 H new ATOM 0 HG12 ILE B 65 8.357 5.079 -23.694 1.00 0.00 H new ATOM 0 HG13 ILE B 65 6.825 4.378 -24.175 1.00 0.00 H new ATOM 0 HG21 ILE B 65 8.506 5.900 -21.549 1.00 0.00 H new ATOM 0 HG22 ILE B 65 7.046 5.976 -20.534 1.00 0.00 H new ATOM 0 HG23 ILE B 65 7.517 4.442 -21.302 1.00 0.00 H new ATOM 0 HD11 ILE B 65 7.743 5.783 -25.954 1.00 0.00 H new ATOM 0 HD12 ILE B 65 6.219 6.469 -25.341 1.00 0.00 H new ATOM 0 HD13 ILE B 65 7.775 7.180 -24.852 1.00 0.00 H new ATOM 1112 N ALA B 66 3.640 7.139 -21.922 1.00 0.00 N ATOM 1113 CA ALA B 66 2.879 8.021 -21.037 1.00 0.00 C ATOM 1114 C ALA B 66 1.590 7.356 -20.554 1.00 0.00 C ATOM 1115 O ALA B 66 1.156 7.580 -19.421 1.00 0.00 O ATOM 1116 CB ALA B 66 2.564 9.329 -21.744 1.00 0.00 C ATOM 0 H ALA B 66 3.476 7.300 -22.916 1.00 0.00 H new ATOM 0 HA ALA B 66 3.495 8.227 -20.161 1.00 0.00 H new ATOM 0 HB1 ALA B 66 1.997 9.977 -21.075 1.00 0.00 H new ATOM 0 HB2 ALA B 66 3.494 9.823 -22.026 1.00 0.00 H new ATOM 0 HB3 ALA B 66 1.975 9.126 -22.638 1.00 0.00 H new ATOM 1122 N THR B 67 0.990 6.532 -21.419 1.00 0.00 N ATOM 1123 CA THR B 67 -0.255 5.829 -21.094 1.00 0.00 C ATOM 1124 C THR B 67 -0.061 4.849 -19.930 1.00 0.00 C ATOM 1125 O THR B 67 -1.005 4.560 -19.193 1.00 0.00 O ATOM 1126 CB THR B 67 -0.803 5.062 -22.316 1.00 0.00 C ATOM 1127 OG1 THR B 67 -0.444 5.740 -23.527 1.00 0.00 O ATOM 1128 CG2 THR B 67 -2.318 4.927 -22.244 1.00 0.00 C ATOM 0 H THR B 67 1.348 6.335 -22.353 1.00 0.00 H new ATOM 0 HA THR B 67 -0.976 6.591 -20.798 1.00 0.00 H new ATOM 0 HB THR B 67 -0.362 4.065 -22.310 1.00 0.00 H new ATOM 0 HG1 THR B 67 -0.795 5.244 -24.296 1.00 0.00 H new ATOM 0 HG21 THR B 67 -2.677 4.383 -23.118 1.00 0.00 H new ATOM 0 HG22 THR B 67 -2.592 4.384 -21.340 1.00 0.00 H new ATOM 0 HG23 THR B 67 -2.771 5.918 -22.223 1.00 0.00 H new ATOM 1136 N GLY B 68 1.166 4.346 -19.779 1.00 0.00 N ATOM 1137 CA GLY B 68 1.471 3.414 -18.703 1.00 0.00 C ATOM 1138 C GLY B 68 1.737 4.122 -17.387 1.00 0.00 C ATOM 1139 O GLY B 68 1.228 3.718 -16.335 1.00 0.00 O ATOM 0 H GLY B 68 1.956 4.569 -20.385 1.00 0.00 H new ATOM 0 HA2 GLY B 68 0.639 2.721 -18.579 1.00 0.00 H new ATOM 0 HA3 GLY B 68 2.343 2.820 -18.976 1.00 0.00 H new ATOM 1143 N LEU B 69 2.529 5.195 -17.455 1.00 0.00 N ATOM 1144 CA LEU B 69 2.877 5.984 -16.276 1.00 0.00 C ATOM 1145 C LEU B 69 1.637 6.609 -15.643 1.00 0.00 C ATOM 1146 O LEU B 69 1.486 6.603 -14.423 1.00 0.00 O ATOM 1147 CB LEU B 69 3.879 7.084 -16.644 1.00 0.00 C ATOM 1148 CG LEU B 69 5.251 6.594 -17.122 1.00 0.00 C ATOM 1149 CD1 LEU B 69 5.926 7.654 -17.978 1.00 0.00 C ATOM 1150 CD2 LEU B 69 6.135 6.231 -15.935 1.00 0.00 C ATOM 0 H LEU B 69 2.943 5.537 -18.322 1.00 0.00 H new ATOM 0 HA LEU B 69 3.333 5.310 -15.550 1.00 0.00 H new ATOM 0 HB2 LEU B 69 3.441 7.703 -17.427 1.00 0.00 H new ATOM 0 HB3 LEU B 69 4.024 7.725 -15.774 1.00 0.00 H new ATOM 0 HG LEU B 69 5.103 5.700 -17.728 1.00 0.00 H new ATOM 0 HD11 LEU B 69 6.899 7.290 -18.309 1.00 0.00 H new ATOM 0 HD12 LEU B 69 5.305 7.870 -18.847 1.00 0.00 H new ATOM 0 HD13 LEU B 69 6.059 8.564 -17.393 1.00 0.00 H new ATOM 0 HD21 LEU B 69 7.104 5.886 -16.295 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.274 7.108 -15.303 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.660 5.439 -15.356 1.00 0.00 H new ATOM 1162 N VAL B 70 0.746 7.139 -16.481 1.00 0.00 N ATOM 1163 CA VAL B 70 -0.481 7.777 -15.998 1.00 0.00 C ATOM 1164 C VAL B 70 -1.367 6.794 -15.229 1.00 0.00 C ATOM 1165 O VAL B 70 -1.910 7.126 -14.176 1.00 0.00 O ATOM 1166 CB VAL B 70 -1.288 8.424 -17.153 1.00 0.00 C ATOM 1167 CG1 VAL B 70 -0.519 9.601 -17.737 1.00 0.00 C ATOM 1168 CG2 VAL B 70 -1.620 7.410 -18.245 1.00 0.00 C ATOM 0 H VAL B 70 0.850 7.140 -17.496 1.00 0.00 H new ATOM 0 HA VAL B 70 -0.168 8.566 -15.314 1.00 0.00 H new ATOM 0 HB VAL B 70 -2.231 8.784 -16.740 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -1.096 10.047 -18.547 1.00 0.00 H new ATOM 0 HG12 VAL B 70 -0.349 10.346 -16.960 1.00 0.00 H new ATOM 0 HG13 VAL B 70 0.440 9.254 -18.123 1.00 0.00 H new ATOM 0 HG21 VAL B 70 -2.186 7.900 -19.037 1.00 0.00 H new ATOM 0 HG22 VAL B 70 -0.696 7.004 -18.657 1.00 0.00 H new ATOM 0 HG23 VAL B 70 -2.215 6.601 -17.822 1.00 0.00 H new ATOM 1178 N GLY B 71 -1.475 5.577 -15.752 1.00 0.00 N ATOM 1179 CA GLY B 71 -2.288 4.550 -15.117 1.00 0.00 C ATOM 1180 C GLY B 71 -1.733 4.097 -13.780 1.00 0.00 C ATOM 1181 O GLY B 71 -2.463 4.040 -12.787 1.00 0.00 O ATOM 0 H GLY B 71 -1.011 5.280 -16.611 1.00 0.00 H new ATOM 0 HA2 GLY B 71 -3.299 4.932 -14.974 1.00 0.00 H new ATOM 0 HA3 GLY B 71 -2.363 3.690 -15.783 1.00 0.00 H new ATOM 1185 N ALA B 72 -0.434 3.796 -13.749 1.00 0.00 N ATOM 1186 CA ALA B 72 0.215 3.325 -12.526 1.00 0.00 C ATOM 1187 C ALA B 72 0.430 4.436 -11.506 1.00 0.00 C ATOM 1188 O ALA B 72 0.177 4.243 -10.317 1.00 0.00 O ATOM 1189 CB ALA B 72 1.537 2.648 -12.856 1.00 0.00 C ATOM 0 H ALA B 72 0.187 3.870 -14.555 1.00 0.00 H new ATOM 0 HA ALA B 72 -0.460 2.602 -12.069 1.00 0.00 H new ATOM 0 HB1 ALA B 72 2.009 2.303 -11.936 1.00 0.00 H new ATOM 0 HB2 ALA B 72 1.356 1.797 -13.513 1.00 0.00 H new ATOM 0 HB3 ALA B 72 2.195 3.359 -13.356 1.00 0.00 H new ATOM 1195 N LEU B 73 0.896 5.594 -11.966 1.00 0.00 N ATOM 1196 CA LEU B 73 1.142 6.724 -11.072 1.00 0.00 C ATOM 1197 C LEU B 73 -0.163 7.243 -10.468 1.00 0.00 C ATOM 1198 O LEU B 73 -0.206 7.601 -9.288 1.00 0.00 O ATOM 1199 CB LEU B 73 1.883 7.840 -11.814 1.00 0.00 C ATOM 1200 CG LEU B 73 3.410 7.680 -11.878 1.00 0.00 C ATOM 1201 CD1 LEU B 73 3.807 6.484 -12.741 1.00 0.00 C ATOM 1202 CD2 LEU B 73 4.052 8.953 -12.408 1.00 0.00 C ATOM 0 H LEU B 73 1.110 5.775 -12.947 1.00 0.00 H new ATOM 0 HA LEU B 73 1.771 6.379 -10.252 1.00 0.00 H new ATOM 0 HB2 LEU B 73 1.497 7.897 -12.832 1.00 0.00 H new ATOM 0 HB3 LEU B 73 1.653 8.790 -11.332 1.00 0.00 H new ATOM 0 HG LEU B 73 3.772 7.497 -10.866 1.00 0.00 H new ATOM 0 HD11 LEU B 73 4.893 6.398 -12.766 1.00 0.00 H new ATOM 0 HD12 LEU B 73 3.381 5.574 -12.320 1.00 0.00 H new ATOM 0 HD13 LEU B 73 3.431 6.626 -13.754 1.00 0.00 H new ATOM 0 HD21 LEU B 73 5.134 8.826 -12.448 1.00 0.00 H new ATOM 0 HD22 LEU B 73 3.674 9.162 -13.409 1.00 0.00 H new ATOM 0 HD23 LEU B 73 3.809 9.785 -11.747 1.00 0.00 H new ATOM 1214 N LEU B 74 -1.231 7.268 -11.275 1.00 0.00 N ATOM 1215 CA LEU B 74 -2.536 7.723 -10.798 1.00 0.00 C ATOM 1216 C LEU B 74 -3.167 6.690 -9.869 1.00 0.00 C ATOM 1217 O LEU B 74 -3.767 7.045 -8.851 1.00 0.00 O ATOM 1218 CB LEU B 74 -3.473 8.023 -11.972 1.00 0.00 C ATOM 1219 CG LEU B 74 -3.561 9.498 -12.378 1.00 0.00 C ATOM 1220 CD1 LEU B 74 -2.338 9.913 -13.182 1.00 0.00 C ATOM 1221 CD2 LEU B 74 -4.833 9.753 -13.173 1.00 0.00 C ATOM 0 H LEU B 74 -1.215 6.980 -12.253 1.00 0.00 H new ATOM 0 HA LEU B 74 -2.382 8.644 -10.236 1.00 0.00 H new ATOM 0 HB2 LEU B 74 -3.144 7.444 -12.835 1.00 0.00 H new ATOM 0 HB3 LEU B 74 -4.473 7.673 -11.716 1.00 0.00 H new ATOM 0 HG LEU B 74 -3.590 10.101 -11.470 1.00 0.00 H new ATOM 0 HD11 LEU B 74 -2.424 10.964 -13.459 1.00 0.00 H new ATOM 0 HD12 LEU B 74 -1.441 9.768 -12.580 1.00 0.00 H new ATOM 0 HD13 LEU B 74 -2.272 9.305 -14.084 1.00 0.00 H new ATOM 0 HD21 LEU B 74 -4.882 10.805 -13.454 1.00 0.00 H new ATOM 0 HD22 LEU B 74 -4.830 9.137 -14.072 1.00 0.00 H new ATOM 0 HD23 LEU B 74 -5.700 9.500 -12.563 1.00 0.00 H new ATOM 1233 N LEU B 75 -3.011 5.409 -10.214 1.00 0.00 N ATOM 1234 CA LEU B 75 -3.563 4.327 -9.398 1.00 0.00 C ATOM 1235 C LEU B 75 -2.798 4.208 -8.082 1.00 0.00 C ATOM 1236 O LEU B 75 -3.389 3.966 -7.028 1.00 0.00 O ATOM 1237 CB LEU B 75 -3.519 2.996 -10.155 1.00 0.00 C ATOM 1238 CG LEU B 75 -4.883 2.449 -10.592 1.00 0.00 C ATOM 1239 CD1 LEU B 75 -5.190 2.857 -12.024 1.00 0.00 C ATOM 1240 CD2 LEU B 75 -4.924 0.935 -10.444 1.00 0.00 C ATOM 0 H LEU B 75 -2.511 5.098 -11.047 1.00 0.00 H new ATOM 0 HA LEU B 75 -4.604 4.565 -9.180 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -2.895 3.120 -11.040 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -3.033 2.253 -9.523 1.00 0.00 H new ATOM 0 HG LEU B 75 -5.648 2.877 -9.944 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -6.162 2.459 -12.315 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -5.206 3.944 -12.097 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -4.422 2.460 -12.688 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -5.900 0.565 -10.759 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -4.148 0.488 -11.065 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -4.753 0.667 -9.401 1.00 0.00 H new ATOM 1252 N LEU B 76 -1.478 4.399 -8.153 1.00 0.00 N ATOM 1253 CA LEU B 76 -0.620 4.328 -6.973 1.00 0.00 C ATOM 1254 C LEU B 76 -0.854 5.532 -6.062 1.00 0.00 C ATOM 1255 O LEU B 76 -0.795 5.413 -4.839 1.00 0.00 O ATOM 1256 CB LEU B 76 0.855 4.270 -7.389 1.00 0.00 C ATOM 1257 CG LEU B 76 1.779 3.530 -6.417 1.00 0.00 C ATOM 1258 CD1 LEU B 76 1.777 2.035 -6.703 1.00 0.00 C ATOM 1259 CD2 LEU B 76 3.193 4.087 -6.501 1.00 0.00 C ATOM 0 H LEU B 76 -0.981 4.605 -9.020 1.00 0.00 H new ATOM 0 HA LEU B 76 -0.871 3.420 -6.424 1.00 0.00 H new ATOM 0 HB2 LEU B 76 0.922 3.790 -8.365 1.00 0.00 H new ATOM 0 HB3 LEU B 76 1.222 5.289 -7.509 1.00 0.00 H new ATOM 0 HG LEU B 76 1.405 3.684 -5.405 1.00 0.00 H new ATOM 0 HD11 LEU B 76 2.440 1.529 -6.001 1.00 0.00 H new ATOM 0 HD12 LEU B 76 0.765 1.645 -6.592 1.00 0.00 H new ATOM 0 HD13 LEU B 76 2.124 1.859 -7.721 1.00 0.00 H new ATOM 0 HD21 LEU B 76 3.837 3.551 -5.804 1.00 0.00 H new ATOM 0 HD22 LEU B 76 3.573 3.964 -7.515 1.00 0.00 H new ATOM 0 HD23 LEU B 76 3.183 5.146 -6.244 1.00 0.00 H new ATOM 1271 N LEU B 77 -1.125 6.690 -6.673 1.00 0.00 N ATOM 1272 CA LEU B 77 -1.379 7.922 -5.926 1.00 0.00 C ATOM 1273 C LEU B 77 -2.708 7.849 -5.168 1.00 0.00 C ATOM 1274 O LEU B 77 -2.781 8.225 -3.997 1.00 0.00 O ATOM 1275 CB LEU B 77 -1.377 9.126 -6.878 1.00 0.00 C ATOM 1276 CG LEU B 77 -1.023 10.471 -6.235 1.00 0.00 C ATOM 1277 CD1 LEU B 77 -0.267 11.348 -7.222 1.00 0.00 C ATOM 1278 CD2 LEU B 77 -2.278 11.179 -5.748 1.00 0.00 C ATOM 0 H LEU B 77 -1.174 6.798 -7.686 1.00 0.00 H new ATOM 0 HA LEU B 77 -0.581 8.043 -5.193 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -0.669 8.930 -7.683 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -2.364 9.209 -7.334 1.00 0.00 H new ATOM 0 HG LEU B 77 -0.380 10.282 -5.375 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -0.023 12.300 -6.750 1.00 0.00 H new ATOM 0 HD12 LEU B 77 0.652 10.846 -7.524 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -0.888 11.527 -8.100 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -2.005 12.132 -5.295 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -2.946 11.356 -6.591 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -2.783 10.557 -5.009 1.00 0.00 H new ATOM 1290 N VAL B 78 -3.753 7.353 -5.842 1.00 0.00 N ATOM 1291 CA VAL B 78 -5.081 7.233 -5.231 1.00 0.00 C ATOM 1292 C VAL B 78 -5.099 6.150 -4.144 1.00 0.00 C ATOM 1293 O VAL B 78 -5.645 6.363 -3.058 1.00 0.00 O ATOM 1294 CB VAL B 78 -6.172 6.921 -6.288 1.00 0.00 C ATOM 1295 CG1 VAL B 78 -7.549 6.817 -5.643 1.00 0.00 C ATOM 1296 CG2 VAL B 78 -6.182 7.982 -7.380 1.00 0.00 C ATOM 0 H VAL B 78 -3.704 7.029 -6.808 1.00 0.00 H new ATOM 0 HA VAL B 78 -5.303 8.198 -4.775 1.00 0.00 H new ATOM 0 HB VAL B 78 -5.932 5.958 -6.738 1.00 0.00 H new ATOM 0 HG11 VAL B 78 -8.294 6.598 -6.408 1.00 0.00 H new ATOM 0 HG12 VAL B 78 -7.544 6.018 -4.902 1.00 0.00 H new ATOM 0 HG13 VAL B 78 -7.795 7.761 -5.157 1.00 0.00 H new ATOM 0 HG21 VAL B 78 -6.955 7.744 -8.111 1.00 0.00 H new ATOM 0 HG22 VAL B 78 -6.388 8.957 -6.938 1.00 0.00 H new ATOM 0 HG23 VAL B 78 -5.210 8.006 -7.873 1.00 0.00 H new ATOM 1306 N VAL B 79 -4.493 4.997 -4.440 1.00 0.00 N ATOM 1307 CA VAL B 79 -4.442 3.883 -3.488 1.00 0.00 C ATOM 1308 C VAL B 79 -3.583 4.237 -2.267 1.00 0.00 C ATOM 1309 O VAL B 79 -3.958 3.938 -1.130 1.00 0.00 O ATOM 1310 CB VAL B 79 -3.904 2.591 -4.158 1.00 0.00 C ATOM 1311 CG1 VAL B 79 -3.713 1.474 -3.138 1.00 0.00 C ATOM 1312 CG2 VAL B 79 -4.845 2.133 -5.263 1.00 0.00 C ATOM 0 H VAL B 79 -4.031 4.810 -5.330 1.00 0.00 H new ATOM 0 HA VAL B 79 -5.463 3.698 -3.154 1.00 0.00 H new ATOM 0 HB VAL B 79 -2.932 2.824 -4.592 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -3.335 0.583 -3.640 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -2.999 1.793 -2.379 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -4.668 1.246 -2.665 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -4.453 1.226 -5.722 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -5.829 1.930 -4.842 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -4.928 2.915 -6.018 1.00 0.00 H new ATOM 1322 N ALA B 80 -2.438 4.883 -2.511 1.00 0.00 N ATOM 1323 CA ALA B 80 -1.533 5.285 -1.431 1.00 0.00 C ATOM 1324 C ALA B 80 -2.160 6.378 -0.566 1.00 0.00 C ATOM 1325 O ALA B 80 -2.014 6.371 0.657 1.00 0.00 O ATOM 1326 CB ALA B 80 -0.203 5.758 -1.997 1.00 0.00 C ATOM 0 H ALA B 80 -2.117 5.138 -3.445 1.00 0.00 H new ATOM 0 HA ALA B 80 -1.355 4.413 -0.801 1.00 0.00 H new ATOM 0 HB1 ALA B 80 0.456 6.052 -1.180 1.00 0.00 H new ATOM 0 HB2 ALA B 80 0.260 4.950 -2.563 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -0.370 6.612 -2.654 1.00 0.00 H new ATOM 1332 N LEU B 81 -2.861 7.313 -1.216 1.00 0.00 N ATOM 1333 CA LEU B 81 -3.527 8.409 -0.510 1.00 0.00 C ATOM 1334 C LEU B 81 -4.698 7.882 0.318 1.00 0.00 C ATOM 1335 O LEU B 81 -4.971 8.379 1.414 1.00 0.00 O ATOM 1336 CB LEU B 81 -4.021 9.462 -1.508 1.00 0.00 C ATOM 1337 CG LEU B 81 -4.133 10.885 -0.956 1.00 0.00 C ATOM 1338 CD1 LEU B 81 -2.823 11.638 -1.137 1.00 0.00 C ATOM 1339 CD2 LEU B 81 -5.274 11.630 -1.632 1.00 0.00 C ATOM 0 H LEU B 81 -2.981 7.331 -2.229 1.00 0.00 H new ATOM 0 HA LEU B 81 -2.806 8.872 0.163 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -3.345 9.474 -2.363 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -4.999 9.156 -1.879 1.00 0.00 H new ATOM 0 HG LEU B 81 -4.345 10.822 0.111 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -2.925 12.647 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -2.027 11.116 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -2.577 11.691 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -5.339 12.640 -1.227 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -5.090 11.680 -2.705 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.211 11.104 -1.448 1.00 0.00 H new ATOM 1351 N GLY B 82 -5.382 6.863 -0.214 1.00 0.00 N ATOM 1352 CA GLY B 82 -6.510 6.265 0.482 1.00 0.00 C ATOM 1353 C GLY B 82 -6.088 5.523 1.737 1.00 0.00 C ATOM 1354 O GLY B 82 -6.617 5.777 2.823 1.00 0.00 O ATOM 0 H GLY B 82 -5.171 6.442 -1.119 1.00 0.00 H new ATOM 0 HA2 GLY B 82 -7.225 7.044 0.747 1.00 0.00 H new ATOM 0 HA3 GLY B 82 -7.024 5.576 -0.189 1.00 0.00 H new ATOM 1358 N ILE B 83 -5.122 4.612 1.590 1.00 0.00 N ATOM 1359 CA ILE B 83 -4.616 3.834 2.725 1.00 0.00 C ATOM 1360 C ILE B 83 -3.900 4.747 3.725 1.00 0.00 C ATOM 1361 O ILE B 83 -3.973 4.531 4.935 1.00 0.00 O ATOM 1362 CB ILE B 83 -3.649 2.709 2.278 1.00 0.00 C ATOM 1363 CG1 ILE B 83 -4.266 1.886 1.139 1.00 0.00 C ATOM 1364 CG2 ILE B 83 -3.302 1.802 3.458 1.00 0.00 C ATOM 1365 CD1 ILE B 83 -3.243 1.193 0.262 1.00 0.00 C ATOM 0 H ILE B 83 -4.675 4.395 0.699 1.00 0.00 H new ATOM 0 HA ILE B 83 -5.481 3.370 3.200 1.00 0.00 H new ATOM 0 HB ILE B 83 -2.732 3.172 1.913 1.00 0.00 H new ATOM 0 HG12 ILE B 83 -4.933 1.137 1.565 1.00 0.00 H new ATOM 0 HG13 ILE B 83 -4.878 2.542 0.519 1.00 0.00 H new ATOM 0 HG21 ILE B 83 -2.622 1.017 3.126 1.00 0.00 H new ATOM 0 HG22 ILE B 83 -2.823 2.390 4.241 1.00 0.00 H new ATOM 0 HG23 ILE B 83 -4.213 1.350 3.850 1.00 0.00 H new ATOM 0 HD11 ILE B 83 -3.755 0.632 -0.520 1.00 0.00 H new ATOM 0 HD12 ILE B 83 -2.590 1.938 -0.194 1.00 0.00 H new ATOM 0 HD13 ILE B 83 -2.647 0.511 0.868 1.00 0.00 H new ATOM 1377 N GLY B 84 -3.215 5.769 3.205 1.00 0.00 N ATOM 1378 CA GLY B 84 -2.503 6.708 4.058 1.00 0.00 C ATOM 1379 C GLY B 84 -3.440 7.523 4.932 1.00 0.00 C ATOM 1380 O GLY B 84 -3.205 7.671 6.133 1.00 0.00 O ATOM 0 H GLY B 84 -3.142 5.962 2.206 1.00 0.00 H new ATOM 0 HA2 GLY B 84 -1.804 6.161 4.691 1.00 0.00 H new ATOM 0 HA3 GLY B 84 -1.912 7.382 3.438 1.00 0.00 H new ATOM 1384 N LEU B 85 -4.511 8.041 4.325 1.00 0.00 N ATOM 1385 CA LEU B 85 -5.501 8.842 5.046 1.00 0.00 C ATOM 1386 C LEU B 85 -6.400 7.962 5.916 1.00 0.00 C ATOM 1387 O LEU B 85 -6.963 8.429 6.909 1.00 0.00 O ATOM 1388 CB LEU B 85 -6.357 9.646 4.062 1.00 0.00 C ATOM 1389 CG LEU B 85 -5.636 10.799 3.355 1.00 0.00 C ATOM 1390 CD1 LEU B 85 -6.294 11.093 2.016 1.00 0.00 C ATOM 1391 CD2 LEU B 85 -5.631 12.046 4.229 1.00 0.00 C ATOM 0 H LEU B 85 -4.714 7.919 3.333 1.00 0.00 H new ATOM 0 HA LEU B 85 -4.961 9.529 5.697 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -6.747 8.965 3.305 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -7.215 10.051 4.599 1.00 0.00 H new ATOM 0 HG LEU B 85 -4.603 10.501 3.177 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -5.771 11.914 1.526 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -6.248 10.205 1.385 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -7.336 11.371 2.176 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -5.114 12.853 3.709 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -6.657 12.348 4.438 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -5.118 11.831 5.166 1.00 0.00 H new ATOM 1403 N PHE B 86 -6.531 6.688 5.537 1.00 0.00 N ATOM 1404 CA PHE B 86 -7.357 5.736 6.281 1.00 0.00 C ATOM 1405 C PHE B 86 -6.641 5.250 7.545 1.00 0.00 C ATOM 1406 O PHE B 86 -7.271 5.058 8.587 1.00 0.00 O ATOM 1407 CB PHE B 86 -7.721 4.544 5.393 1.00 0.00 C ATOM 1408 CG PHE B 86 -9.003 3.864 5.786 1.00 0.00 C ATOM 1409 CD1 PHE B 86 -8.999 2.818 6.696 1.00 0.00 C ATOM 1410 CD2 PHE B 86 -10.213 4.270 5.245 1.00 0.00 C ATOM 1411 CE1 PHE B 86 -10.175 2.192 7.060 1.00 0.00 C ATOM 1412 CE2 PHE B 86 -11.393 3.647 5.605 1.00 0.00 C ATOM 1413 CZ PHE B 86 -11.374 2.606 6.513 1.00 0.00 C ATOM 0 H PHE B 86 -6.073 6.292 4.716 1.00 0.00 H new ATOM 0 HA PHE B 86 -8.270 6.249 6.584 1.00 0.00 H new ATOM 0 HB2 PHE B 86 -7.802 4.884 4.360 1.00 0.00 H new ATOM 0 HB3 PHE B 86 -6.910 3.817 5.426 1.00 0.00 H new ATOM 0 HD1 PHE B 86 -8.064 2.489 7.126 1.00 0.00 H new ATOM 0 HD2 PHE B 86 -10.234 5.083 4.534 1.00 0.00 H new ATOM 0 HE1 PHE B 86 -10.157 1.380 7.772 1.00 0.00 H new ATOM 0 HE2 PHE B 86 -12.329 3.974 5.177 1.00 0.00 H new ATOM 0 HZ PHE B 86 -12.295 2.117 6.795 1.00 0.00 H new ATOM 1423 N ILE B 87 -5.325 5.050 7.441 1.00 0.00 N ATOM 1424 CA ILE B 87 -4.519 4.584 8.575 1.00 0.00 C ATOM 1425 C ILE B 87 -4.111 5.750 9.481 1.00 0.00 C ATOM 1426 O ILE B 87 -4.003 5.586 10.698 1.00 0.00 O ATOM 1427 CB ILE B 87 -3.249 3.826 8.101 1.00 0.00 C ATOM 1428 CG1 ILE B 87 -3.616 2.637 7.187 1.00 0.00 C ATOM 1429 CG2 ILE B 87 -2.418 3.350 9.291 1.00 0.00 C ATOM 1430 CD1 ILE B 87 -4.555 1.616 7.814 1.00 0.00 C ATOM 0 H ILE B 87 -4.794 5.203 6.584 1.00 0.00 H new ATOM 0 HA ILE B 87 -5.143 3.894 9.143 1.00 0.00 H new ATOM 0 HB ILE B 87 -2.647 4.525 7.521 1.00 0.00 H new ATOM 0 HG12 ILE B 87 -4.077 3.024 6.278 1.00 0.00 H new ATOM 0 HG13 ILE B 87 -2.699 2.130 6.888 1.00 0.00 H new ATOM 0 HG21 ILE B 87 -1.535 2.823 8.930 1.00 0.00 H new ATOM 0 HG22 ILE B 87 -2.109 4.209 9.886 1.00 0.00 H new ATOM 0 HG23 ILE B 87 -3.016 2.678 9.907 1.00 0.00 H new ATOM 0 HD11 ILE B 87 -4.756 0.819 7.098 1.00 0.00 H new ATOM 0 HD12 ILE B 87 -4.091 1.195 8.706 1.00 0.00 H new ATOM 0 HD13 ILE B 87 -5.491 2.102 8.087 1.00 0.00 H new ATOM 1442 N ARG B 88 -3.884 6.924 8.882 1.00 0.00 N ATOM 1443 CA ARG B 88 -3.489 8.116 9.638 1.00 0.00 C ATOM 1444 C ARG B 88 -4.612 8.583 10.568 1.00 0.00 C ATOM 1445 O ARG B 88 -4.355 9.204 11.601 1.00 0.00 O ATOM 1446 CB ARG B 88 -3.101 9.248 8.681 1.00 0.00 C ATOM 1447 CG ARG B 88 -2.011 10.161 9.222 1.00 0.00 C ATOM 1448 CD ARG B 88 -1.662 11.264 8.234 1.00 0.00 C ATOM 1449 NE ARG B 88 -0.870 10.766 7.108 1.00 0.00 N ATOM 1450 CZ ARG B 88 -0.432 11.530 6.106 1.00 0.00 C ATOM 1451 NH1 ARG B 88 -0.704 12.831 6.080 1.00 0.00 N ATOM 1452 NH2 ARG B 88 0.281 10.990 5.126 1.00 0.00 N ATOM 0 H ARG B 88 -3.967 7.074 7.876 1.00 0.00 H new ATOM 0 HA ARG B 88 -2.627 7.851 10.251 1.00 0.00 H new ATOM 0 HB2 ARG B 88 -2.765 8.816 7.738 1.00 0.00 H new ATOM 0 HB3 ARG B 88 -3.986 9.845 8.461 1.00 0.00 H new ATOM 0 HG2 ARG B 88 -2.340 10.604 10.162 1.00 0.00 H new ATOM 0 HG3 ARG B 88 -1.120 9.574 9.442 1.00 0.00 H new ATOM 0 HD2 ARG B 88 -2.580 11.717 7.859 1.00 0.00 H new ATOM 0 HD3 ARG B 88 -1.106 12.048 8.748 1.00 0.00 H new ATOM 0 HE ARG B 88 -0.639 9.773 7.088 1.00 0.00 H new ATOM 0 HH11 ARG B 88 -1.252 13.253 6.830 1.00 0.00 H new ATOM 0 HH12 ARG B 88 -0.365 13.408 5.310 1.00 0.00 H new ATOM 0 HH21 ARG B 88 0.493 9.992 5.140 1.00 0.00 H new ATOM 0 HH22 ARG B 88 0.617 11.572 4.359 1.00 0.00 H new ATOM 1466 N ARG B 89 -5.855 8.276 10.191 1.00 0.00 N ATOM 1467 CA ARG B 89 -7.025 8.656 10.986 1.00 0.00 C ATOM 1468 C ARG B 89 -7.269 7.668 12.128 1.00 0.00 C ATOM 1469 O ARG B 89 -7.977 7.979 13.086 1.00 0.00 O ATOM 1470 CB ARG B 89 -8.267 8.737 10.095 1.00 0.00 C ATOM 1471 CG ARG B 89 -8.305 9.971 9.208 1.00 0.00 C ATOM 1472 CD ARG B 89 -9.558 10.000 8.346 1.00 0.00 C ATOM 1473 NE ARG B 89 -9.605 11.184 7.487 1.00 0.00 N ATOM 1474 CZ ARG B 89 -10.597 11.450 6.636 1.00 0.00 C ATOM 1475 NH1 ARG B 89 -11.629 10.623 6.522 1.00 0.00 N ATOM 1476 NH2 ARG B 89 -10.554 12.550 5.897 1.00 0.00 N ATOM 0 H ARG B 89 -6.078 7.764 9.338 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.827 9.636 11.421 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -8.311 7.848 9.467 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -9.156 8.726 10.725 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -8.268 10.867 9.828 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -7.422 9.988 8.569 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -9.594 9.102 7.729 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -10.439 9.982 8.987 1.00 0.00 H new ATOM 0 HE ARG B 89 -8.831 11.847 7.543 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -11.668 9.775 7.088 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -12.383 10.835 5.868 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -9.764 13.190 5.980 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -11.311 12.756 5.245 1.00 0.00 H new ATOM 1490 N ARG B 90 -6.677 6.475 12.014 1.00 0.00 N ATOM 1491 CA ARG B 90 -6.825 5.434 13.032 1.00 0.00 C ATOM 1492 C ARG B 90 -5.837 5.627 14.183 1.00 0.00 C ATOM 1493 O ARG B 90 -6.057 5.126 15.288 1.00 0.00 O ATOM 1494 CB ARG B 90 -6.631 4.050 12.407 1.00 0.00 C ATOM 1495 CG ARG B 90 -7.800 3.595 11.548 1.00 0.00 C ATOM 1496 CD ARG B 90 -7.555 2.217 10.951 1.00 0.00 C ATOM 1497 NE ARG B 90 -7.701 1.152 11.946 1.00 0.00 N ATOM 1498 CZ ARG B 90 -7.539 -0.145 11.680 1.00 0.00 C ATOM 1499 NH1 ARG B 90 -7.226 -0.552 10.454 1.00 0.00 N ATOM 1500 NH2 ARG B 90 -7.691 -1.040 12.647 1.00 0.00 N ATOM 0 H ARG B 90 -6.090 6.207 11.224 1.00 0.00 H new ATOM 0 HA ARG B 90 -7.834 5.511 13.437 1.00 0.00 H new ATOM 0 HB2 ARG B 90 -5.727 4.060 11.798 1.00 0.00 H new ATOM 0 HB3 ARG B 90 -6.471 3.322 13.202 1.00 0.00 H new ATOM 0 HG2 ARG B 90 -8.708 3.575 12.150 1.00 0.00 H new ATOM 0 HG3 ARG B 90 -7.965 4.315 10.747 1.00 0.00 H new ATOM 0 HD2 ARG B 90 -8.255 2.047 10.133 1.00 0.00 H new ATOM 0 HD3 ARG B 90 -6.552 2.180 10.525 1.00 0.00 H new ATOM 0 HE ARG B 90 -7.941 1.419 12.901 1.00 0.00 H new ATOM 0 HH11 ARG B 90 -7.107 0.130 9.705 1.00 0.00 H new ATOM 0 HH12 ARG B 90 -7.105 -1.546 10.262 1.00 0.00 H new ATOM 0 HH21 ARG B 90 -7.931 -0.736 13.590 1.00 0.00 H new ATOM 0 HH22 ARG B 90 -7.568 -2.033 12.447 1.00 0.00 H new ATOM 1514 N HIS B 91 -4.751 6.355 13.916 1.00 0.00 N ATOM 1515 CA HIS B 91 -3.725 6.615 14.927 1.00 0.00 C ATOM 1516 C HIS B 91 -4.110 7.794 15.824 1.00 0.00 C ATOM 1517 O HIS B 91 -3.592 7.932 16.934 1.00 0.00 O ATOM 1518 CB HIS B 91 -2.376 6.892 14.257 1.00 0.00 C ATOM 1519 CG HIS B 91 -1.650 5.650 13.841 1.00 0.00 C ATOM 1520 ND1 HIS B 91 -1.620 5.194 12.540 1.00 0.00 N ATOM 1521 CD2 HIS B 91 -0.919 4.767 14.563 1.00 0.00 C ATOM 1522 CE1 HIS B 91 -0.905 4.085 12.481 1.00 0.00 C ATOM 1523 NE2 HIS B 91 -0.468 3.806 13.694 1.00 0.00 N ATOM 0 H HIS B 91 -4.559 6.775 13.007 1.00 0.00 H new ATOM 0 HA HIS B 91 -3.643 5.725 15.551 1.00 0.00 H new ATOM 0 HB2 HIS B 91 -2.537 7.520 13.381 1.00 0.00 H new ATOM 0 HB3 HIS B 91 -1.747 7.458 14.944 1.00 0.00 H new ATOM 0 HD1 HIS B 91 -2.078 5.643 11.747 1.00 0.00 H new ATOM 0 HD2 HIS B 91 -0.727 4.811 15.625 1.00 0.00 H new ATOM 0 HE1 HIS B 91 -0.711 3.505 11.591 1.00 0.00 H new ATOM 1532 N ILE B 92 -5.021 8.637 15.334 1.00 0.00 N ATOM 1533 CA ILE B 92 -5.482 9.805 16.087 1.00 0.00 C ATOM 1534 C ILE B 92 -6.588 9.420 17.073 1.00 0.00 C ATOM 1535 O ILE B 92 -6.738 10.045 18.124 1.00 0.00 O ATOM 1536 CB ILE B 92 -6.004 10.927 15.146 1.00 0.00 C ATOM 1537 CG1 ILE B 92 -5.098 11.089 13.909 1.00 0.00 C ATOM 1538 CG2 ILE B 92 -6.131 12.250 15.898 1.00 0.00 C ATOM 1539 CD1 ILE B 92 -3.638 11.381 14.222 1.00 0.00 C ATOM 0 H ILE B 92 -5.455 8.532 14.417 1.00 0.00 H new ATOM 0 HA ILE B 92 -4.621 10.184 16.638 1.00 0.00 H new ATOM 0 HB ILE B 92 -6.994 10.633 14.798 1.00 0.00 H new ATOM 0 HG12 ILE B 92 -5.152 10.177 13.314 1.00 0.00 H new ATOM 0 HG13 ILE B 92 -5.491 11.896 13.291 1.00 0.00 H new ATOM 0 HG21 ILE B 92 -6.498 13.020 15.220 1.00 0.00 H new ATOM 0 HG22 ILE B 92 -6.830 12.132 16.726 1.00 0.00 H new ATOM 0 HG23 ILE B 92 -5.155 12.543 16.286 1.00 0.00 H new ATOM 0 HD11 ILE B 92 -3.079 11.479 13.291 1.00 0.00 H new ATOM 0 HD12 ILE B 92 -3.566 12.310 14.788 1.00 0.00 H new ATOM 0 HD13 ILE B 92 -3.222 10.564 14.811 1.00 0.00 H new ATOM 1651 N LEU B 98 -0.528 0.955 23.553 1.00 0.00 N ATOM 1652 CA LEU B 98 0.201 -0.068 22.804 1.00 0.00 C ATOM 1653 C LEU B 98 1.677 0.300 22.691 1.00 0.00 C ATOM 1654 O LEU B 98 2.519 -0.542 22.400 1.00 0.00 O ATOM 1655 CB LEU B 98 -0.412 -0.257 21.408 1.00 0.00 C ATOM 1656 CG LEU B 98 -1.748 -1.021 21.352 1.00 0.00 C ATOM 1657 CD1 LEU B 98 -1.678 -2.324 22.143 1.00 0.00 C ATOM 1658 CD2 LEU B 98 -2.895 -0.152 21.853 1.00 0.00 C ATOM 0 HA LEU B 98 0.120 -1.010 23.346 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -0.560 0.727 20.963 1.00 0.00 H new ATOM 0 HB3 LEU B 98 0.311 -0.783 20.784 1.00 0.00 H new ATOM 0 HG LEU B 98 -1.938 -1.272 20.308 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -2.637 -2.838 22.083 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -0.898 -2.961 21.726 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -1.449 -2.105 23.186 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -3.827 -0.715 21.803 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -2.704 0.143 22.885 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -2.976 0.739 21.230 1.00 0.00 H new ATOM 1670 N ARG B 99 1.954 1.579 22.925 1.00 0.00 N ATOM 1671 CA ARG B 99 3.297 2.142 22.878 1.00 0.00 C ATOM 1672 C ARG B 99 3.832 2.220 24.293 1.00 0.00 C ATOM 1673 O ARG B 99 5.025 2.026 24.538 1.00 0.00 O ATOM 1674 CB ARG B 99 3.278 3.531 22.236 1.00 0.00 C ATOM 1675 CG ARG B 99 3.143 3.500 20.722 1.00 0.00 C ATOM 1676 CD ARG B 99 2.880 4.887 20.156 1.00 0.00 C ATOM 1677 NE ARG B 99 1.478 5.282 20.297 1.00 0.00 N ATOM 1678 CZ ARG B 99 0.880 6.197 19.532 1.00 0.00 C ATOM 1679 NH1 ARG B 99 1.552 6.819 18.571 1.00 0.00 N ATOM 1680 NH2 ARG B 99 -0.399 6.490 19.730 1.00 0.00 N ATOM 0 H ARG B 99 1.236 2.266 23.157 1.00 0.00 H new ATOM 0 HA ARG B 99 3.942 1.506 22.271 1.00 0.00 H new ATOM 0 HB2 ARG B 99 2.451 4.104 22.654 1.00 0.00 H new ATOM 0 HB3 ARG B 99 4.196 4.057 22.500 1.00 0.00 H new ATOM 0 HG2 ARG B 99 4.054 3.094 20.283 1.00 0.00 H new ATOM 0 HG3 ARG B 99 2.329 2.832 20.442 1.00 0.00 H new ATOM 0 HD2 ARG B 99 3.514 5.612 20.666 1.00 0.00 H new ATOM 0 HD3 ARG B 99 3.158 4.907 19.102 1.00 0.00 H new ATOM 0 HE ARG B 99 0.924 4.830 21.025 1.00 0.00 H new ATOM 0 HH11 ARG B 99 2.535 6.599 18.412 1.00 0.00 H new ATOM 0 HH12 ARG B 99 1.085 7.517 17.992 1.00 0.00 H new ATOM 0 HH21 ARG B 99 -0.923 6.016 20.466 1.00 0.00 H new ATOM 0 HH22 ARG B 99 -0.858 7.189 19.146 1.00 0.00 H new ATOM 1694 N ARG B 100 2.917 2.510 25.227 1.00 0.00 N ATOM 1695 CA ARG B 100 3.256 2.582 26.644 1.00 0.00 C ATOM 1696 C ARG B 100 3.462 1.167 27.163 1.00 0.00 C ATOM 1697 O ARG B 100 4.074 0.951 28.209 1.00 0.00 O ATOM 1698 CB ARG B 100 2.150 3.286 27.435 1.00 0.00 C ATOM 1699 CG ARG B 100 2.206 4.801 27.343 1.00 0.00 C ATOM 1700 CD ARG B 100 1.090 5.450 28.145 1.00 0.00 C ATOM 1701 NE ARG B 100 1.133 6.910 28.065 1.00 0.00 N ATOM 1702 CZ ARG B 100 0.267 7.719 28.678 1.00 0.00 C ATOM 1703 NH1 ARG B 100 -0.716 7.220 29.420 1.00 0.00 N ATOM 1704 NH2 ARG B 100 0.385 9.034 28.547 1.00 0.00 N ATOM 0 H ARG B 100 1.936 2.698 25.021 1.00 0.00 H new ATOM 0 HA ARG B 100 4.170 3.162 26.771 1.00 0.00 H new ATOM 0 HB2 ARG B 100 1.181 2.944 27.071 1.00 0.00 H new ATOM 0 HB3 ARG B 100 2.220 2.991 28.482 1.00 0.00 H new ATOM 0 HG2 ARG B 100 3.170 5.153 27.709 1.00 0.00 H new ATOM 0 HG3 ARG B 100 2.130 5.106 26.299 1.00 0.00 H new ATOM 0 HD2 ARG B 100 0.127 5.095 27.778 1.00 0.00 H new ATOM 0 HD3 ARG B 100 1.167 5.142 29.188 1.00 0.00 H new ATOM 0 HE ARG B 100 1.872 7.336 27.505 1.00 0.00 H new ATOM 0 HH11 ARG B 100 -0.814 6.210 29.525 1.00 0.00 H new ATOM 0 HH12 ARG B 100 -1.373 7.847 29.885 1.00 0.00 H new ATOM 0 HH21 ARG B 100 1.137 9.424 27.979 1.00 0.00 H new ATOM 0 HH22 ARG B 100 -0.276 9.654 29.015 1.00 0.00 H new ATOM 1718 N LEU B 101 2.923 0.216 26.400 1.00 0.00 N ATOM 1719 CA LEU B 101 3.046 -1.198 26.698 1.00 0.00 C ATOM 1720 C LEU B 101 3.987 -1.850 25.694 1.00 0.00 C ATOM 1721 O LEU B 101 4.535 -2.922 25.955 1.00 0.00 O ATOM 1722 CB LEU B 101 1.678 -1.893 26.658 1.00 0.00 C ATOM 1723 CG LEU B 101 0.911 -1.976 27.992 1.00 0.00 C ATOM 1724 CD1 LEU B 101 1.776 -2.578 29.094 1.00 0.00 C ATOM 1725 CD2 LEU B 101 0.388 -0.606 28.408 1.00 0.00 C ATOM 0 H LEU B 101 2.387 0.413 25.555 1.00 0.00 H new ATOM 0 HA LEU B 101 3.451 -1.304 27.705 1.00 0.00 H new ATOM 0 HB2 LEU B 101 1.051 -1.371 25.936 1.00 0.00 H new ATOM 0 HB3 LEU B 101 1.821 -2.906 26.283 1.00 0.00 H new ATOM 0 HG LEU B 101 0.057 -2.636 27.838 1.00 0.00 H new ATOM 0 HD11 LEU B 101 1.205 -2.622 30.021 1.00 0.00 H new ATOM 0 HD12 LEU B 101 2.082 -3.584 28.808 1.00 0.00 H new ATOM 0 HD13 LEU B 101 2.660 -1.958 29.242 1.00 0.00 H new ATOM 0 HD21 LEU B 101 -0.149 -0.693 29.352 1.00 0.00 H new ATOM 0 HD22 LEU B 101 1.225 0.082 28.529 1.00 0.00 H new ATOM 0 HD23 LEU B 101 -0.286 -0.226 27.641 1.00 0.00 H new ATOM 1737 N LEU B 102 4.171 -1.195 24.532 1.00 0.00 N ATOM 1738 CA LEU B 102 5.067 -1.725 23.492 1.00 0.00 C ATOM 1739 C LEU B 102 6.503 -1.798 24.001 1.00 0.00 C ATOM 1740 O LEU B 102 7.196 -2.795 23.791 1.00 0.00 O ATOM 1741 CB LEU B 102 5.009 -0.860 22.225 1.00 0.00 C ATOM 1742 CG LEU B 102 5.502 -1.538 20.941 1.00 0.00 C ATOM 1743 CD1 LEU B 102 4.671 -1.090 19.750 1.00 0.00 C ATOM 1744 CD2 LEU B 102 6.975 -1.231 20.707 1.00 0.00 C ATOM 0 H LEU B 102 3.718 -0.312 24.294 1.00 0.00 H new ATOM 0 HA LEU B 102 4.728 -2.731 23.245 1.00 0.00 H new ATOM 0 HB2 LEU B 102 3.979 -0.538 22.073 1.00 0.00 H new ATOM 0 HB3 LEU B 102 5.603 0.039 22.392 1.00 0.00 H new ATOM 0 HG LEU B 102 5.388 -2.616 21.056 1.00 0.00 H new ATOM 0 HD11 LEU B 102 5.035 -1.581 18.847 1.00 0.00 H new ATOM 0 HD12 LEU B 102 3.627 -1.358 19.913 1.00 0.00 H new ATOM 0 HD13 LEU B 102 4.754 -0.009 19.634 1.00 0.00 H new ATOM 0 HD21 LEU B 102 7.308 -1.720 19.792 1.00 0.00 H new ATOM 0 HD22 LEU B 102 7.112 -0.154 20.613 1.00 0.00 H new ATOM 0 HD23 LEU B 102 7.562 -1.599 21.549 1.00 0.00 H new