USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 SER OG : rot -170:sc= -0.13 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0776 USER MOD Single : A 31 HIS : no HD1:sc= -0.0702 K(o=-0.07,f=-2!) USER MOD Single : B 64 SER OG : rot -170:sc= -0.122 USER MOD Single : B 67 THR OG1 : rot 180:sc= -0.0841 USER MOD Single : B 91 HIS : no HD1:sc= -0.0734 K(o=-0.073,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 25 N ILE A 2 -0.919 -1.243 -30.538 1.00 0.00 N ATOM 26 CA ILE A 2 -1.330 -1.772 -29.238 1.00 0.00 C ATOM 27 C ILE A 2 -2.390 -0.879 -28.586 1.00 0.00 C ATOM 28 O ILE A 2 -2.368 0.341 -28.765 1.00 0.00 O ATOM 29 CB ILE A 2 -0.131 -1.931 -28.270 1.00 0.00 C ATOM 30 CG1 ILE A 2 0.782 -0.697 -28.308 1.00 0.00 C ATOM 31 CG2 ILE A 2 0.658 -3.189 -28.611 1.00 0.00 C ATOM 32 CD1 ILE A 2 1.289 -0.273 -26.946 1.00 0.00 C ATOM 0 HA ILE A 2 -1.755 -2.758 -29.427 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.523 -2.024 -27.257 1.00 0.00 H new ATOM 0 HG12 ILE A 2 1.634 -0.906 -28.954 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.237 0.133 -28.758 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.498 -3.289 -27.924 1.00 0.00 H new ATOM 0 HG22 ILE A 2 0.010 -4.061 -28.521 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.032 -3.118 -29.632 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.927 0.604 -27.052 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.443 -0.031 -26.302 1.00 0.00 H new ATOM 0 HD13 ILE A 2 1.862 -1.087 -26.502 1.00 0.00 H new ATOM 44 N PRO A 3 -3.334 -1.476 -27.822 1.00 0.00 N ATOM 45 CA PRO A 3 -4.402 -0.723 -27.144 1.00 0.00 C ATOM 46 C PRO A 3 -3.878 0.152 -26.005 1.00 0.00 C ATOM 47 O PRO A 3 -2.987 -0.256 -25.257 1.00 0.00 O ATOM 48 CB PRO A 3 -5.322 -1.819 -26.599 1.00 0.00 C ATOM 49 CG PRO A 3 -4.464 -3.030 -26.473 1.00 0.00 C ATOM 50 CD PRO A 3 -3.437 -2.930 -27.567 1.00 0.00 C ATOM 0 HA PRO A 3 -4.897 -0.029 -27.823 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -5.744 -1.534 -25.635 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.160 -2.000 -27.273 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -3.987 -3.070 -25.494 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -5.056 -3.939 -26.576 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -2.480 -3.351 -27.257 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -3.749 -3.472 -28.460 1.00 0.00 H new ATOM 58 N SER A 4 -4.442 1.356 -25.884 1.00 0.00 N ATOM 59 CA SER A 4 -4.041 2.300 -24.838 1.00 0.00 C ATOM 60 C SER A 4 -4.702 1.966 -23.497 1.00 0.00 C ATOM 61 O SER A 4 -4.372 2.563 -22.469 1.00 0.00 O ATOM 62 CB SER A 4 -4.401 3.728 -25.257 1.00 0.00 C ATOM 63 OG SER A 4 -3.819 4.680 -24.383 1.00 0.00 O ATOM 0 H SER A 4 -5.179 1.701 -26.499 1.00 0.00 H new ATOM 0 HA SER A 4 -2.962 2.219 -24.709 1.00 0.00 H new ATOM 0 HB2 SER A 4 -4.058 3.908 -26.276 1.00 0.00 H new ATOM 0 HB3 SER A 4 -5.484 3.847 -25.259 1.00 0.00 H new ATOM 0 HG SER A 4 -4.188 5.568 -24.574 1.00 0.00 H new ATOM 69 N ILE A 5 -5.632 1.009 -23.519 1.00 0.00 N ATOM 70 CA ILE A 5 -6.344 0.591 -22.308 1.00 0.00 C ATOM 71 C ILE A 5 -5.523 -0.424 -21.507 1.00 0.00 C ATOM 72 O ILE A 5 -5.592 -0.456 -20.278 1.00 0.00 O ATOM 73 CB ILE A 5 -7.730 -0.023 -22.640 1.00 0.00 C ATOM 74 CG1 ILE A 5 -8.449 0.800 -23.715 1.00 0.00 C ATOM 75 CG2 ILE A 5 -8.593 -0.112 -21.387 1.00 0.00 C ATOM 76 CD1 ILE A 5 -8.290 0.243 -25.114 1.00 0.00 C ATOM 0 H ILE A 5 -5.910 0.508 -24.363 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.493 1.488 -21.708 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.566 -1.029 -23.025 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -9.510 0.851 -23.472 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.068 1.821 -23.694 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -9.560 -0.545 -21.641 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.097 -0.741 -20.648 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.740 0.886 -20.975 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.825 0.877 -25.821 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.233 0.218 -25.378 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.698 -0.767 -25.152 1.00 0.00 H new ATOM 88 N ALA A 6 -4.747 -1.247 -22.216 1.00 0.00 N ATOM 89 CA ALA A 6 -3.911 -2.267 -21.579 1.00 0.00 C ATOM 90 C ALA A 6 -2.576 -1.688 -21.112 1.00 0.00 C ATOM 91 O ALA A 6 -1.968 -2.199 -20.169 1.00 0.00 O ATOM 92 CB ALA A 6 -3.677 -3.426 -22.535 1.00 0.00 C ATOM 0 H ALA A 6 -4.680 -1.227 -23.234 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.441 -2.631 -20.699 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.054 -4.178 -22.050 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.634 -3.870 -22.810 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.175 -3.062 -23.432 1.00 0.00 H new ATOM 98 N THR A 7 -2.132 -0.615 -21.772 1.00 0.00 N ATOM 99 CA THR A 7 -0.867 0.042 -21.436 1.00 0.00 C ATOM 100 C THR A 7 -0.899 0.637 -20.024 1.00 0.00 C ATOM 101 O THR A 7 0.125 0.678 -19.337 1.00 0.00 O ATOM 102 CB THR A 7 -0.528 1.155 -22.450 1.00 0.00 C ATOM 103 OG1 THR A 7 -1.010 0.798 -23.752 1.00 0.00 O ATOM 104 CG2 THR A 7 0.974 1.399 -22.516 1.00 0.00 C ATOM 0 H THR A 7 -2.634 -0.181 -22.547 1.00 0.00 H new ATOM 0 HA THR A 7 -0.094 -0.726 -21.477 1.00 0.00 H new ATOM 0 HB THR A 7 -1.015 2.072 -22.117 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.792 1.511 -24.388 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.183 2.188 -23.238 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.337 1.701 -21.534 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.478 0.483 -22.823 1.00 0.00 H new ATOM 112 N GLY A 8 -2.077 1.101 -19.605 1.00 0.00 N ATOM 113 CA GLY A 8 -2.230 1.680 -18.276 1.00 0.00 C ATOM 114 C GLY A 8 -2.412 0.620 -17.204 1.00 0.00 C ATOM 115 O GLY A 8 -1.835 0.716 -16.114 1.00 0.00 O ATOM 0 H GLY A 8 -2.930 1.086 -20.163 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.353 2.284 -18.042 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.089 2.350 -18.271 1.00 0.00 H new ATOM 119 N LEU A 9 -3.207 -0.403 -17.528 1.00 0.00 N ATOM 120 CA LEU A 9 -3.481 -1.502 -16.604 1.00 0.00 C ATOM 121 C LEU A 9 -2.204 -2.261 -16.251 1.00 0.00 C ATOM 122 O LEU A 9 -1.973 -2.588 -15.091 1.00 0.00 O ATOM 123 CB LEU A 9 -4.504 -2.469 -17.212 1.00 0.00 C ATOM 124 CG LEU A 9 -5.918 -1.903 -17.393 1.00 0.00 C ATOM 125 CD1 LEU A 9 -6.669 -2.679 -18.464 1.00 0.00 C ATOM 126 CD2 LEU A 9 -6.686 -1.938 -16.079 1.00 0.00 C ATOM 0 H LEU A 9 -3.674 -0.491 -18.430 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.890 -1.071 -15.690 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.135 -2.797 -18.184 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.564 -3.354 -16.578 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.830 -0.864 -17.712 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.670 -2.264 -18.579 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.134 -2.604 -19.411 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.742 -3.726 -18.171 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.686 -1.532 -16.231 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.762 -2.968 -15.729 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.161 -1.340 -15.335 1.00 0.00 H new ATOM 138 N VAL A 10 -1.372 -2.528 -17.259 1.00 0.00 N ATOM 139 CA VAL A 10 -0.120 -3.259 -17.047 1.00 0.00 C ATOM 140 C VAL A 10 0.812 -2.519 -16.087 1.00 0.00 C ATOM 141 O VAL A 10 1.442 -3.131 -15.223 1.00 0.00 O ATOM 142 CB VAL A 10 0.612 -3.545 -18.383 1.00 0.00 C ATOM 143 CG1 VAL A 10 -0.199 -4.516 -19.230 1.00 0.00 C ATOM 144 CG2 VAL A 10 0.890 -2.262 -19.161 1.00 0.00 C ATOM 0 H VAL A 10 -1.540 -2.251 -18.226 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.392 -4.213 -16.595 1.00 0.00 H new ATOM 0 HB VAL A 10 1.574 -3.998 -18.144 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.326 -4.709 -20.166 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.328 -5.452 -18.687 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.176 -4.083 -19.445 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.404 -2.505 -20.091 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.052 -1.762 -19.387 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.517 -1.602 -18.562 1.00 0.00 H new ATOM 154 N GLY A 11 0.865 -1.199 -16.227 1.00 0.00 N ATOM 155 CA GLY A 11 1.715 -0.380 -15.374 1.00 0.00 C ATOM 156 C GLY A 11 1.243 -0.345 -13.932 1.00 0.00 C ATOM 157 O GLY A 11 2.033 -0.564 -13.008 1.00 0.00 O ATOM 0 H GLY A 11 0.331 -0.676 -16.921 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.734 -0.764 -15.408 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.744 0.636 -15.767 1.00 0.00 H new ATOM 161 N ALA A 12 -0.054 -0.091 -13.738 1.00 0.00 N ATOM 162 CA ALA A 12 -0.628 -0.011 -12.395 1.00 0.00 C ATOM 163 C ALA A 12 -0.773 -1.378 -11.736 1.00 0.00 C ATOM 164 O ALA A 12 -0.475 -1.529 -10.551 1.00 0.00 O ATOM 165 CB ALA A 12 -1.971 0.701 -12.438 1.00 0.00 C ATOM 0 H ALA A 12 -0.723 0.062 -14.492 1.00 0.00 H new ATOM 0 HA ALA A 12 0.068 0.563 -11.784 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.387 0.754 -11.432 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.836 1.710 -12.828 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.654 0.151 -13.085 1.00 0.00 H new ATOM 171 N LEU A 13 -1.227 -2.367 -12.499 1.00 0.00 N ATOM 172 CA LEU A 13 -1.406 -3.717 -11.969 1.00 0.00 C ATOM 173 C LEU A 13 -0.061 -4.343 -11.600 1.00 0.00 C ATOM 174 O LEU A 13 0.054 -5.018 -10.572 1.00 0.00 O ATOM 175 CB LEU A 13 -2.157 -4.592 -12.978 1.00 0.00 C ATOM 176 CG LEU A 13 -3.689 -4.491 -12.921 1.00 0.00 C ATOM 177 CD1 LEU A 13 -4.169 -3.106 -13.351 1.00 0.00 C ATOM 178 CD2 LEU A 13 -4.323 -5.566 -13.788 1.00 0.00 C ATOM 0 H LEU A 13 -1.477 -2.262 -13.482 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.003 -3.651 -11.060 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.829 -4.324 -13.982 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.871 -5.631 -12.816 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.998 -4.646 -11.887 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.257 -3.066 -13.300 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.747 -2.352 -12.687 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.846 -2.910 -14.374 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.409 -5.481 -13.737 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.997 -5.440 -14.820 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.019 -6.549 -13.429 1.00 0.00 H new ATOM 190 N LEU A 14 0.959 -4.105 -12.432 1.00 0.00 N ATOM 191 CA LEU A 14 2.297 -4.632 -12.168 1.00 0.00 C ATOM 192 C LEU A 14 2.950 -3.896 -11.003 1.00 0.00 C ATOM 193 O LEU A 14 3.609 -4.510 -10.161 1.00 0.00 O ATOM 194 CB LEU A 14 3.180 -4.538 -13.417 1.00 0.00 C ATOM 195 CG LEU A 14 3.298 -5.829 -14.235 1.00 0.00 C ATOM 196 CD1 LEU A 14 2.049 -6.053 -15.077 1.00 0.00 C ATOM 197 CD2 LEU A 14 4.535 -5.784 -15.119 1.00 0.00 C ATOM 0 H LEU A 14 0.882 -3.555 -13.287 1.00 0.00 H new ATOM 0 HA LEU A 14 2.193 -5.683 -11.899 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.785 -3.753 -14.062 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.180 -4.228 -13.113 1.00 0.00 H new ATOM 0 HG LEU A 14 3.395 -6.665 -13.542 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.156 -6.975 -15.649 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.179 -6.130 -14.425 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.916 -5.215 -15.761 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.605 -6.708 -15.694 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.464 -4.937 -15.801 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.423 -5.676 -14.497 1.00 0.00 H new ATOM 209 N LEU A 15 2.746 -2.577 -10.948 1.00 0.00 N ATOM 210 CA LEU A 15 3.311 -1.760 -9.873 1.00 0.00 C ATOM 211 C LEU A 15 2.616 -2.069 -8.548 1.00 0.00 C ATOM 212 O LEU A 15 3.260 -2.143 -7.500 1.00 0.00 O ATOM 213 CB LEU A 15 3.186 -0.270 -10.199 1.00 0.00 C ATOM 214 CG LEU A 15 4.507 0.440 -10.513 1.00 0.00 C ATOM 215 CD1 LEU A 15 4.716 0.546 -12.016 1.00 0.00 C ATOM 216 CD2 LEU A 15 4.539 1.819 -9.870 1.00 0.00 C ATOM 0 H LEU A 15 2.197 -2.055 -11.631 1.00 0.00 H new ATOM 0 HA LEU A 15 4.369 -2.005 -9.781 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.518 -0.156 -11.053 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.713 0.232 -9.355 1.00 0.00 H new ATOM 0 HG LEU A 15 5.321 -0.153 -10.096 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.660 1.053 -12.217 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.741 -0.453 -12.451 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.897 1.114 -12.458 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.485 2.308 -10.104 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.715 2.419 -10.256 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.440 1.719 -8.789 1.00 0.00 H new ATOM 228 N LEU A 16 1.296 -2.266 -8.611 1.00 0.00 N ATOM 229 CA LEU A 16 0.501 -2.584 -7.427 1.00 0.00 C ATOM 230 C LEU A 16 0.814 -3.995 -6.933 1.00 0.00 C ATOM 231 O LEU A 16 0.792 -4.258 -5.730 1.00 0.00 O ATOM 232 CB LEU A 16 -0.995 -2.460 -7.739 1.00 0.00 C ATOM 233 CG LEU A 16 -1.880 -2.075 -6.549 1.00 0.00 C ATOM 234 CD1 LEU A 16 -1.962 -0.564 -6.403 1.00 0.00 C ATOM 235 CD2 LEU A 16 -3.272 -2.671 -6.710 1.00 0.00 C ATOM 0 H LEU A 16 0.756 -2.210 -9.474 1.00 0.00 H new ATOM 0 HA LEU A 16 0.759 -1.873 -6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.126 -1.715 -8.524 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.346 -3.411 -8.140 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.430 -2.480 -5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.596 -0.315 -5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.963 -0.159 -6.243 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.387 -0.133 -7.310 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.889 -2.389 -5.857 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.725 -2.294 -7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.199 -3.757 -6.762 1.00 0.00 H new ATOM 247 N LEU A 17 1.109 -4.895 -7.876 1.00 0.00 N ATOM 248 CA LEU A 17 1.438 -6.281 -7.551 1.00 0.00 C ATOM 249 C LEU A 17 2.797 -6.376 -6.850 1.00 0.00 C ATOM 250 O LEU A 17 2.944 -7.102 -5.865 1.00 0.00 O ATOM 251 CB LEU A 17 1.440 -7.138 -8.823 1.00 0.00 C ATOM 252 CG LEU A 17 1.191 -8.635 -8.607 1.00 0.00 C ATOM 253 CD1 LEU A 17 -0.301 -8.941 -8.616 1.00 0.00 C ATOM 254 CD2 LEU A 17 1.910 -9.451 -9.669 1.00 0.00 C ATOM 0 H LEU A 17 1.126 -4.684 -8.874 1.00 0.00 H new ATOM 0 HA LEU A 17 0.676 -6.658 -6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.677 -6.754 -9.501 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.401 -7.015 -9.322 1.00 0.00 H new ATOM 0 HG LEU A 17 1.589 -8.911 -7.630 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.454 -10.009 -8.461 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.791 -8.384 -7.817 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.727 -8.649 -9.576 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.723 -10.512 -9.501 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.542 -9.169 -10.656 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.981 -9.258 -9.613 1.00 0.00 H new ATOM 266 N VAL A 18 3.784 -5.630 -7.360 1.00 0.00 N ATOM 267 CA VAL A 18 5.132 -5.627 -6.783 1.00 0.00 C ATOM 268 C VAL A 18 5.144 -4.944 -5.409 1.00 0.00 C ATOM 269 O VAL A 18 5.765 -5.442 -4.467 1.00 0.00 O ATOM 270 CB VAL A 18 6.156 -4.930 -7.715 1.00 0.00 C ATOM 271 CG1 VAL A 18 7.555 -4.949 -7.111 1.00 0.00 C ATOM 272 CG2 VAL A 18 6.169 -5.588 -9.089 1.00 0.00 C ATOM 0 H VAL A 18 3.674 -5.021 -8.171 1.00 0.00 H new ATOM 0 HA VAL A 18 5.425 -6.670 -6.667 1.00 0.00 H new ATOM 0 HB VAL A 18 5.847 -3.891 -7.826 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.250 -4.453 -7.788 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.545 -4.427 -6.154 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.871 -5.981 -6.958 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.894 -5.083 -9.727 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.444 -6.638 -8.987 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.178 -5.514 -9.537 1.00 0.00 H new ATOM 282 N VAL A 19 4.450 -3.807 -5.305 1.00 0.00 N ATOM 283 CA VAL A 19 4.378 -3.057 -4.047 1.00 0.00 C ATOM 284 C VAL A 19 3.612 -3.845 -2.977 1.00 0.00 C ATOM 285 O VAL A 19 4.033 -3.907 -1.819 1.00 0.00 O ATOM 286 CB VAL A 19 3.717 -1.667 -4.252 1.00 0.00 C ATOM 287 CG1 VAL A 19 3.537 -0.936 -2.926 1.00 0.00 C ATOM 288 CG2 VAL A 19 4.543 -0.818 -5.209 1.00 0.00 C ATOM 0 H VAL A 19 3.931 -3.386 -6.075 1.00 0.00 H new ATOM 0 HA VAL A 19 5.402 -2.905 -3.705 1.00 0.00 H new ATOM 0 HB VAL A 19 2.730 -1.832 -4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.072 0.033 -3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.901 -1.528 -2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.510 -0.790 -2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.064 0.152 -5.340 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.543 -0.677 -4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.614 -1.321 -6.173 1.00 0.00 H new ATOM 298 N ALA A 20 2.491 -4.454 -3.379 1.00 0.00 N ATOM 299 CA ALA A 20 1.668 -5.247 -2.463 1.00 0.00 C ATOM 300 C ALA A 20 2.401 -6.511 -2.017 1.00 0.00 C ATOM 301 O ALA A 20 2.319 -6.907 -0.852 1.00 0.00 O ATOM 302 CB ALA A 20 0.341 -5.605 -3.114 1.00 0.00 C ATOM 0 H ALA A 20 2.134 -4.412 -4.333 1.00 0.00 H new ATOM 0 HA ALA A 20 1.471 -4.641 -1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.258 -6.194 -2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.196 -4.692 -3.372 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.524 -6.186 -4.018 1.00 0.00 H new ATOM 308 N LEU A 21 3.123 -7.134 -2.954 1.00 0.00 N ATOM 309 CA LEU A 21 3.885 -8.349 -2.663 1.00 0.00 C ATOM 310 C LEU A 21 5.073 -8.034 -1.752 1.00 0.00 C ATOM 311 O LEU A 21 5.436 -8.838 -0.891 1.00 0.00 O ATOM 312 CB LEU A 21 4.377 -8.993 -3.964 1.00 0.00 C ATOM 313 CG LEU A 21 4.593 -10.508 -3.903 1.00 0.00 C ATOM 314 CD1 LEU A 21 3.315 -11.247 -4.274 1.00 0.00 C ATOM 315 CD2 LEU A 21 5.734 -10.920 -4.821 1.00 0.00 C ATOM 0 H LEU A 21 3.195 -6.815 -3.920 1.00 0.00 H new ATOM 0 HA LEU A 21 3.228 -9.050 -2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.656 -8.777 -4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.316 -8.520 -4.252 1.00 0.00 H new ATOM 0 HG LEU A 21 4.859 -10.776 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.489 -12.322 -4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.522 -10.975 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.017 -10.974 -5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.874 -12.000 -4.765 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.496 -10.637 -5.846 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.651 -10.419 -4.510 1.00 0.00 H new ATOM 327 N GLY A 22 5.664 -6.851 -1.949 1.00 0.00 N ATOM 328 CA GLY A 22 6.797 -6.429 -1.139 1.00 0.00 C ATOM 329 C GLY A 22 6.407 -6.164 0.303 1.00 0.00 C ATOM 330 O GLY A 22 7.016 -6.711 1.227 1.00 0.00 O ATOM 0 H GLY A 22 5.375 -6.177 -2.658 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.569 -7.198 -1.169 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.231 -5.526 -1.568 1.00 0.00 H new ATOM 334 N ILE A 23 5.379 -5.331 0.496 1.00 0.00 N ATOM 335 CA ILE A 23 4.896 -5.001 1.840 1.00 0.00 C ATOM 336 C ILE A 23 4.307 -6.240 2.519 1.00 0.00 C ATOM 337 O ILE A 23 4.471 -6.433 3.723 1.00 0.00 O ATOM 338 CB ILE A 23 3.832 -3.874 1.816 1.00 0.00 C ATOM 339 CG1 ILE A 23 4.324 -2.683 0.983 1.00 0.00 C ATOM 340 CG2 ILE A 23 3.497 -3.424 3.237 1.00 0.00 C ATOM 341 CD1 ILE A 23 3.206 -1.854 0.383 1.00 0.00 C ATOM 0 H ILE A 23 4.867 -4.875 -0.259 1.00 0.00 H new ATOM 0 HA ILE A 23 5.756 -4.644 2.407 1.00 0.00 H new ATOM 0 HB ILE A 23 2.927 -4.269 1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.942 -2.042 1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.962 -3.052 0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.749 -2.632 3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.105 -4.269 3.803 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.398 -3.049 3.722 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.631 -1.031 -0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.601 -2.480 -0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.581 -1.454 1.181 1.00 0.00 H new ATOM 353 N GLY A 24 3.627 -7.076 1.729 1.00 0.00 N ATOM 354 CA GLY A 24 3.029 -8.293 2.262 1.00 0.00 C ATOM 355 C GLY A 24 4.070 -9.272 2.775 1.00 0.00 C ATOM 356 O GLY A 24 3.931 -9.815 3.873 1.00 0.00 O ATOM 0 H GLY A 24 3.480 -6.931 0.730 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.347 -8.035 3.072 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.434 -8.773 1.485 1.00 0.00 H new ATOM 360 N LEU A 25 5.121 -9.488 1.980 1.00 0.00 N ATOM 361 CA LEU A 25 6.202 -10.402 2.352 1.00 0.00 C ATOM 362 C LEU A 25 7.099 -9.789 3.430 1.00 0.00 C ATOM 363 O LEU A 25 7.748 -10.511 4.188 1.00 0.00 O ATOM 364 CB LEU A 25 7.042 -10.765 1.123 1.00 0.00 C ATOM 365 CG LEU A 25 6.354 -11.682 0.106 1.00 0.00 C ATOM 366 CD1 LEU A 25 6.954 -11.484 -1.278 1.00 0.00 C ATOM 367 CD2 LEU A 25 6.473 -13.140 0.531 1.00 0.00 C ATOM 0 H LEU A 25 5.246 -9.040 1.072 1.00 0.00 H new ATOM 0 HA LEU A 25 5.748 -11.307 2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.333 -9.844 0.618 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.959 -11.248 1.460 1.00 0.00 H new ATOM 0 HG LEU A 25 5.297 -11.420 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.455 -12.142 -1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.820 -10.448 -1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.018 -11.720 -1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.978 -13.775 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.526 -13.415 0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.000 -13.275 1.504 1.00 0.00 H new ATOM 379 N PHE A 26 7.127 -8.454 3.489 1.00 0.00 N ATOM 380 CA PHE A 26 7.936 -7.739 4.475 1.00 0.00 C ATOM 381 C PHE A 26 7.292 -7.789 5.864 1.00 0.00 C ATOM 382 O PHE A 26 7.986 -7.934 6.872 1.00 0.00 O ATOM 383 CB PHE A 26 8.134 -6.283 4.042 1.00 0.00 C ATOM 384 CG PHE A 26 9.395 -5.658 4.570 1.00 0.00 C ATOM 385 CD1 PHE A 26 10.577 -5.735 3.850 1.00 0.00 C ATOM 386 CD2 PHE A 26 9.398 -4.994 5.786 1.00 0.00 C ATOM 387 CE1 PHE A 26 11.738 -5.162 4.333 1.00 0.00 C ATOM 388 CE2 PHE A 26 10.556 -4.418 6.274 1.00 0.00 C ATOM 389 CZ PHE A 26 11.728 -4.503 5.547 1.00 0.00 C ATOM 0 H PHE A 26 6.597 -7.848 2.863 1.00 0.00 H new ATOM 0 HA PHE A 26 8.907 -8.232 4.533 1.00 0.00 H new ATOM 0 HB2 PHE A 26 8.145 -6.236 2.953 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.280 -5.695 4.378 1.00 0.00 H new ATOM 0 HD1 PHE A 26 10.591 -6.249 2.900 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.485 -4.926 6.359 1.00 0.00 H new ATOM 0 HE1 PHE A 26 12.652 -5.229 3.762 1.00 0.00 H new ATOM 0 HE2 PHE A 26 10.545 -3.902 7.223 1.00 0.00 H new ATOM 0 HZ PHE A 26 12.634 -4.055 5.927 1.00 0.00 H new ATOM 399 N ILE A 27 5.961 -7.668 5.905 1.00 0.00 N ATOM 400 CA ILE A 27 5.219 -7.702 7.169 1.00 0.00 C ATOM 401 C ILE A 27 4.943 -9.145 7.609 1.00 0.00 C ATOM 402 O ILE A 27 4.864 -9.427 8.807 1.00 0.00 O ATOM 403 CB ILE A 27 3.877 -6.929 7.066 1.00 0.00 C ATOM 404 CG1 ILE A 27 4.092 -5.502 6.520 1.00 0.00 C ATOM 405 CG2 ILE A 27 3.169 -6.881 8.421 1.00 0.00 C ATOM 406 CD1 ILE A 27 5.060 -4.648 7.324 1.00 0.00 C ATOM 0 H ILE A 27 5.376 -7.546 5.078 1.00 0.00 H new ATOM 0 HA ILE A 27 5.845 -7.214 7.915 1.00 0.00 H new ATOM 0 HB ILE A 27 3.241 -7.467 6.363 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.457 -5.572 5.495 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.128 -4.994 6.481 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.231 -6.334 8.322 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.963 -7.896 8.760 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.807 -6.378 9.148 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.146 -3.664 6.863 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.690 -4.540 8.344 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.039 -5.127 7.342 1.00 0.00 H new ATOM 418 N ARG A 28 4.799 -10.050 6.636 1.00 0.00 N ATOM 419 CA ARG A 28 4.536 -11.464 6.924 1.00 0.00 C ATOM 420 C ARG A 28 5.716 -12.113 7.653 1.00 0.00 C ATOM 421 O ARG A 28 5.543 -13.089 8.386 1.00 0.00 O ATOM 422 CB ARG A 28 4.243 -12.224 5.627 1.00 0.00 C ATOM 423 CG ARG A 28 3.256 -13.368 5.797 1.00 0.00 C ATOM 424 CD ARG A 28 3.003 -14.084 4.481 1.00 0.00 C ATOM 425 NE ARG A 28 2.052 -15.188 4.631 1.00 0.00 N ATOM 426 CZ ARG A 28 1.658 -15.977 3.630 1.00 0.00 C ATOM 427 NH1 ARG A 28 2.128 -15.795 2.400 1.00 0.00 N ATOM 428 NH2 ARG A 28 0.792 -16.954 3.861 1.00 0.00 N ATOM 0 H ARG A 28 4.860 -9.829 5.642 1.00 0.00 H new ATOM 0 HA ARG A 28 3.664 -11.515 7.576 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.851 -11.525 4.888 1.00 0.00 H new ATOM 0 HB3 ARG A 28 5.178 -12.619 5.229 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.641 -14.077 6.530 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.315 -12.983 6.190 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.620 -13.373 3.749 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.945 -14.468 4.090 1.00 0.00 H new ATOM 0 HE ARG A 28 1.667 -15.365 5.559 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.796 -15.047 2.215 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.821 -16.404 1.641 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.428 -17.101 4.803 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.489 -17.558 3.097 1.00 0.00 H new ATOM 442 N ARG A 29 6.913 -11.561 7.443 1.00 0.00 N ATOM 443 CA ARG A 29 8.129 -12.073 8.076 1.00 0.00 C ATOM 444 C ARG A 29 8.279 -11.547 9.504 1.00 0.00 C ATOM 445 O ARG A 29 9.032 -12.105 10.304 1.00 0.00 O ATOM 446 CB ARG A 29 9.360 -11.691 7.250 1.00 0.00 C ATOM 447 CG ARG A 29 9.508 -12.491 5.965 1.00 0.00 C ATOM 448 CD ARG A 29 10.743 -12.071 5.186 1.00 0.00 C ATOM 449 NE ARG A 29 10.895 -12.833 3.947 1.00 0.00 N ATOM 450 CZ ARG A 29 11.896 -12.662 3.081 1.00 0.00 C ATOM 451 NH1 ARG A 29 12.840 -11.755 3.309 1.00 0.00 N ATOM 452 NH2 ARG A 29 11.952 -13.400 1.981 1.00 0.00 N ATOM 0 H ARG A 29 7.066 -10.755 6.836 1.00 0.00 H new ATOM 0 HA ARG A 29 8.047 -13.159 8.120 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.306 -10.631 7.003 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.253 -11.831 7.859 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.570 -13.553 6.202 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.622 -12.353 5.346 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.680 -11.008 4.952 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.628 -12.209 5.807 1.00 0.00 H new ATOM 0 HE ARG A 29 10.192 -13.540 3.731 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.804 -11.182 4.152 1.00 0.00 H new ATOM 0 HH12 ARG A 29 13.601 -11.632 2.641 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.231 -14.097 1.797 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.716 -13.270 1.318 1.00 0.00 H new ATOM 466 N ARG A 30 7.556 -10.468 9.815 1.00 0.00 N ATOM 467 CA ARG A 30 7.602 -9.854 11.143 1.00 0.00 C ATOM 468 C ARG A 30 6.683 -10.576 12.129 1.00 0.00 C ATOM 469 O ARG A 30 6.869 -10.478 13.344 1.00 0.00 O ATOM 470 CB ARG A 30 7.212 -8.376 11.057 1.00 0.00 C ATOM 471 CG ARG A 30 8.297 -7.489 10.468 1.00 0.00 C ATOM 472 CD ARG A 30 7.858 -6.035 10.410 1.00 0.00 C ATOM 473 NE ARG A 30 8.912 -5.164 9.887 1.00 0.00 N ATOM 474 CZ ARG A 30 8.760 -3.858 9.664 1.00 0.00 C ATOM 475 NH1 ARG A 30 7.601 -3.259 9.913 1.00 0.00 N ATOM 476 NH2 ARG A 30 9.775 -3.147 9.190 1.00 0.00 N ATOM 0 H ARG A 30 6.929 -10.000 9.161 1.00 0.00 H new ATOM 0 HA ARG A 30 8.625 -9.939 11.510 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.311 -8.282 10.451 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.964 -8.016 12.056 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.203 -7.573 11.069 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.546 -7.835 9.465 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.972 -5.949 9.782 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.575 -5.702 11.408 1.00 0.00 H new ATOM 0 HE ARG A 30 9.819 -5.582 9.680 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.816 -3.798 10.278 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.496 -2.260 9.739 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.669 -3.599 8.997 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.662 -2.148 9.018 1.00 0.00 H new ATOM 490 N HIS A 31 5.694 -11.300 11.600 1.00 0.00 N ATOM 491 CA HIS A 31 4.739 -12.040 12.430 1.00 0.00 C ATOM 492 C HIS A 31 5.406 -13.216 13.148 1.00 0.00 C ATOM 493 O HIS A 31 4.899 -13.700 14.162 1.00 0.00 O ATOM 494 CB HIS A 31 3.576 -12.548 11.577 1.00 0.00 C ATOM 495 CG HIS A 31 2.589 -11.483 11.210 1.00 0.00 C ATOM 496 ND1 HIS A 31 2.534 -10.906 9.958 1.00 0.00 N ATOM 497 CD2 HIS A 31 1.611 -10.893 11.937 1.00 0.00 C ATOM 498 CE1 HIS A 31 1.567 -10.007 9.932 1.00 0.00 C ATOM 499 NE2 HIS A 31 0.990 -9.980 11.119 1.00 0.00 N ATOM 0 H HIS A 31 5.533 -11.390 10.597 1.00 0.00 H new ATOM 0 HA HIS A 31 4.362 -11.352 13.187 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.973 -12.993 10.665 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.058 -13.340 12.119 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.365 -11.101 12.968 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.294 -9.397 9.083 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.210 -9.379 11.386 1.00 0.00 H new ATOM 508 N ILE A 32 6.543 -13.669 12.616 1.00 0.00 N ATOM 509 CA ILE A 32 7.284 -14.787 13.205 1.00 0.00 C ATOM 510 C ILE A 32 8.185 -14.310 14.349 1.00 0.00 C ATOM 511 O ILE A 32 8.730 -15.121 15.100 1.00 0.00 O ATOM 512 CB ILE A 32 8.151 -15.524 12.151 1.00 0.00 C ATOM 513 CG1 ILE A 32 7.423 -15.596 10.803 1.00 0.00 C ATOM 514 CG2 ILE A 32 8.501 -16.928 12.637 1.00 0.00 C ATOM 515 CD1 ILE A 32 8.343 -15.461 9.606 1.00 0.00 C ATOM 0 H ILE A 32 6.972 -13.278 11.777 1.00 0.00 H new ATOM 0 HA ILE A 32 6.540 -15.482 13.594 1.00 0.00 H new ATOM 0 HB ILE A 32 9.074 -14.960 12.014 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.892 -16.546 10.737 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.671 -14.807 10.763 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.110 -17.432 11.886 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.059 -16.861 13.571 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.585 -17.495 12.802 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.758 -15.521 8.689 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.855 -14.500 9.647 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.079 -16.265 9.620 1.00 0.00 H new ATOM 627 N LEU A 38 1.329 -8.141 22.014 1.00 0.00 N ATOM 628 CA LEU A 38 0.766 -6.813 21.795 1.00 0.00 C ATOM 629 C LEU A 38 -0.752 -6.895 21.683 1.00 0.00 C ATOM 630 O LEU A 38 -1.461 -6.049 22.208 1.00 0.00 O ATOM 631 CB LEU A 38 1.366 -6.174 20.537 1.00 0.00 C ATOM 632 CG LEU A 38 1.200 -4.654 20.423 1.00 0.00 C ATOM 633 CD1 LEU A 38 2.120 -3.928 21.397 1.00 0.00 C ATOM 634 CD2 LEU A 38 1.467 -4.199 18.997 1.00 0.00 C ATOM 0 HA LEU A 38 1.017 -6.184 22.649 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.430 -6.409 20.504 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.910 -6.638 19.663 1.00 0.00 H new ATOM 0 HG LEU A 38 0.171 -4.404 20.683 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.982 -2.852 21.295 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.881 -4.229 22.417 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.157 -4.183 21.177 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.345 -3.118 18.931 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.485 -4.468 18.714 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.762 -4.685 18.322 1.00 0.00 H new ATOM 646 N ARG A 39 -1.223 -7.933 20.992 1.00 0.00 N ATOM 647 CA ARG A 39 -2.646 -8.198 20.798 1.00 0.00 C ATOM 648 C ARG A 39 -3.269 -8.544 22.135 1.00 0.00 C ATOM 649 O ARG A 39 -4.442 -8.257 22.384 1.00 0.00 O ATOM 650 CB ARG A 39 -2.852 -9.344 19.806 1.00 0.00 C ATOM 651 CG ARG A 39 -2.568 -8.961 18.360 1.00 0.00 C ATOM 652 CD ARG A 39 -2.789 -10.134 17.416 1.00 0.00 C ATOM 653 NE ARG A 39 -4.211 -10.408 17.201 1.00 0.00 N ATOM 654 CZ ARG A 39 -4.676 -11.381 16.414 1.00 0.00 C ATOM 655 NH1 ARG A 39 -3.837 -12.180 15.763 1.00 0.00 N ATOM 656 NH2 ARG A 39 -5.984 -11.554 16.281 1.00 0.00 N ATOM 0 H ARG A 39 -0.618 -8.622 20.546 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.125 -7.309 20.388 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.205 -10.176 20.086 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.880 -9.699 19.883 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.214 -8.132 18.069 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.540 -8.610 18.271 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.312 -9.923 16.459 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.307 -11.022 17.823 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.889 -9.818 17.683 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.830 -12.052 15.863 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.200 -12.921 15.164 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.632 -10.944 16.779 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.342 -12.297 15.680 1.00 0.00 H new ATOM 670 N ARG A 40 -2.459 -9.171 22.994 1.00 0.00 N ATOM 671 CA ARG A 40 -2.896 -9.511 24.342 1.00 0.00 C ATOM 672 C ARG A 40 -3.034 -8.208 25.115 1.00 0.00 C ATOM 673 O ARG A 40 -3.696 -8.136 26.150 1.00 0.00 O ATOM 674 CB ARG A 40 -1.888 -10.439 25.030 1.00 0.00 C ATOM 675 CG ARG A 40 -1.945 -11.879 24.538 1.00 0.00 C ATOM 676 CD ARG A 40 -2.963 -12.699 25.315 1.00 0.00 C ATOM 677 NE ARG A 40 -3.022 -14.085 24.849 1.00 0.00 N ATOM 678 CZ ARG A 40 -3.835 -15.011 25.358 1.00 0.00 C ATOM 679 NH1 ARG A 40 -4.663 -14.711 26.354 1.00 0.00 N ATOM 680 NH2 ARG A 40 -3.821 -16.244 24.870 1.00 0.00 N ATOM 0 H ARG A 40 -1.502 -9.450 22.777 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.847 -10.043 24.307 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.882 -10.050 24.871 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.069 -10.424 26.105 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.200 -11.892 23.478 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.960 -12.336 24.634 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.708 -12.683 26.375 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.948 -12.242 25.217 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.402 -14.360 24.087 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.680 -13.765 26.736 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.281 -15.427 26.736 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.189 -16.483 24.106 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.442 -16.953 25.259 1.00 0.00 H new ATOM 694 N LEU A 41 -2.366 -7.187 24.573 1.00 0.00 N ATOM 695 CA LEU A 41 -2.388 -5.843 25.111 1.00 0.00 C ATOM 696 C LEU A 41 -3.134 -4.909 24.156 1.00 0.00 C ATOM 697 O LEU A 41 -3.678 -3.889 24.582 1.00 0.00 O ATOM 698 CB LEU A 41 -0.963 -5.324 25.335 1.00 0.00 C ATOM 699 CG LEU A 41 -0.195 -5.984 26.486 1.00 0.00 C ATOM 700 CD1 LEU A 41 1.305 -5.810 26.297 1.00 0.00 C ATOM 701 CD2 LEU A 41 -0.630 -5.407 27.827 1.00 0.00 C ATOM 0 H LEU A 41 -1.790 -7.282 23.737 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.904 -5.866 26.071 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.395 -5.463 24.415 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.011 -4.251 25.521 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.425 -7.050 26.480 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.833 -6.285 27.124 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.610 -6.273 25.358 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.548 -4.748 26.274 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.072 -5.890 28.629 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.434 -4.335 27.843 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.696 -5.583 27.970 1.00 0.00 H new ATOM 713 N LEU A 42 -3.157 -5.265 22.853 1.00 0.00 N ATOM 714 CA LEU A 42 -3.837 -4.437 21.848 1.00 0.00 C ATOM 715 C LEU A 42 -5.352 -4.511 22.013 1.00 0.00 C ATOM 716 O LEU A 42 -6.042 -3.490 21.948 1.00 0.00 O ATOM 717 CB LEU A 42 -3.443 -4.867 20.429 1.00 0.00 C ATOM 718 CG LEU A 42 -3.472 -3.758 19.372 1.00 0.00 C ATOM 719 CD1 LEU A 42 -2.406 -4.002 18.314 1.00 0.00 C ATOM 720 CD2 LEU A 42 -4.849 -3.673 18.726 1.00 0.00 C ATOM 0 H LEU A 42 -2.718 -6.108 22.482 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.521 -3.405 22.001 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.438 -5.288 20.461 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.113 -5.666 20.111 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.261 -2.809 19.864 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.441 -3.205 17.571 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.423 -4.017 18.785 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.589 -4.960 17.827 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.852 -2.880 17.978 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.086 -4.624 18.248 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.596 -3.454 19.489 1.00 0.00 H new ATOM 1049 N ILE B 62 -0.097 9.187 -29.164 1.00 0.00 N ATOM 1050 CA ILE B 62 0.360 9.360 -27.785 1.00 0.00 C ATOM 1051 C ILE B 62 1.438 8.331 -27.428 1.00 0.00 C ATOM 1052 O ILE B 62 1.405 7.200 -27.917 1.00 0.00 O ATOM 1053 CB ILE B 62 -0.805 9.254 -26.771 1.00 0.00 C ATOM 1054 CG1 ILE B 62 -1.724 8.068 -27.099 1.00 0.00 C ATOM 1055 CG2 ILE B 62 -1.599 10.554 -26.744 1.00 0.00 C ATOM 1056 CD1 ILE B 62 -2.188 7.301 -25.879 1.00 0.00 C ATOM 0 HA ILE B 62 0.782 10.363 -27.721 1.00 0.00 H new ATOM 0 HB ILE B 62 -0.379 9.080 -25.783 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -2.596 8.435 -27.640 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -1.198 7.386 -27.767 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -2.415 10.467 -26.027 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -0.944 11.374 -26.450 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -2.006 10.752 -27.735 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -2.833 6.479 -26.190 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -1.323 6.903 -25.348 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -2.743 7.968 -25.219 1.00 0.00 H new ATOM 1068 N PRO B 63 2.408 8.712 -26.563 1.00 0.00 N ATOM 1069 CA PRO B 63 3.496 7.812 -26.143 1.00 0.00 C ATOM 1070 C PRO B 63 3.007 6.668 -25.255 1.00 0.00 C ATOM 1071 O PRO B 63 2.143 6.862 -24.398 1.00 0.00 O ATOM 1072 CB PRO B 63 4.439 8.733 -25.362 1.00 0.00 C ATOM 1073 CG PRO B 63 3.590 9.864 -24.895 1.00 0.00 C ATOM 1074 CD PRO B 63 2.526 10.050 -25.941 1.00 0.00 C ATOM 0 HA PRO B 63 3.965 7.321 -26.996 1.00 0.00 H new ATOM 0 HB2 PRO B 63 4.893 8.209 -24.521 1.00 0.00 H new ATOM 0 HB3 PRO B 63 5.254 9.088 -25.993 1.00 0.00 H new ATOM 0 HG2 PRO B 63 3.147 9.643 -23.924 1.00 0.00 H new ATOM 0 HG3 PRO B 63 4.182 10.772 -24.776 1.00 0.00 H new ATOM 0 HD2 PRO B 63 1.582 10.371 -25.500 1.00 0.00 H new ATOM 0 HD3 PRO B 63 2.810 10.807 -26.671 1.00 0.00 H new ATOM 1082 N SER B 64 3.568 5.477 -25.470 1.00 0.00 N ATOM 1083 CA SER B 64 3.199 4.291 -24.697 1.00 0.00 C ATOM 1084 C SER B 64 3.906 4.265 -23.338 1.00 0.00 C ATOM 1085 O SER B 64 3.608 3.420 -22.492 1.00 0.00 O ATOM 1086 CB SER B 64 3.537 3.023 -25.486 1.00 0.00 C ATOM 1087 OG SER B 64 2.981 1.873 -24.872 1.00 0.00 O ATOM 0 H SER B 64 4.283 5.308 -26.177 1.00 0.00 H new ATOM 0 HA SER B 64 2.125 4.331 -24.517 1.00 0.00 H new ATOM 0 HB2 SER B 64 3.159 3.114 -26.504 1.00 0.00 H new ATOM 0 HB3 SER B 64 4.619 2.913 -25.557 1.00 0.00 H new ATOM 0 HG SER B 64 3.339 1.068 -25.301 1.00 0.00 H new ATOM 1093 N ILE B 65 4.838 5.200 -23.139 1.00 0.00 N ATOM 1094 CA ILE B 65 5.593 5.289 -21.886 1.00 0.00 C ATOM 1095 C ILE B 65 4.803 6.055 -20.821 1.00 0.00 C ATOM 1096 O ILE B 65 4.913 5.765 -19.629 1.00 0.00 O ATOM 1097 CB ILE B 65 6.969 5.975 -22.092 1.00 0.00 C ATOM 1098 CG1 ILE B 65 7.649 5.465 -23.368 1.00 0.00 C ATOM 1099 CG2 ILE B 65 7.873 5.737 -20.889 1.00 0.00 C ATOM 1100 CD1 ILE B 65 7.444 6.368 -24.566 1.00 0.00 C ATOM 0 H ILE B 65 5.088 5.907 -23.830 1.00 0.00 H new ATOM 0 HA ILE B 65 5.760 4.267 -21.547 1.00 0.00 H new ATOM 0 HB ILE B 65 6.797 7.046 -22.196 1.00 0.00 H new ATOM 0 HG12 ILE B 65 8.718 5.358 -23.182 1.00 0.00 H new ATOM 0 HG13 ILE B 65 7.266 4.472 -23.602 1.00 0.00 H new ATOM 0 HG21 ILE B 65 8.833 6.226 -21.053 1.00 0.00 H new ATOM 0 HG22 ILE B 65 7.404 6.148 -19.995 1.00 0.00 H new ATOM 0 HG23 ILE B 65 8.029 4.666 -20.757 1.00 0.00 H new ATOM 0 HD11 ILE B 65 7.953 5.945 -25.432 1.00 0.00 H new ATOM 0 HD12 ILE B 65 6.378 6.455 -24.778 1.00 0.00 H new ATOM 0 HD13 ILE B 65 7.853 7.355 -24.352 1.00 0.00 H new ATOM 1112 N ALA B 66 4.007 7.032 -21.263 1.00 0.00 N ATOM 1113 CA ALA B 66 3.197 7.845 -20.355 1.00 0.00 C ATOM 1114 C ALA B 66 1.876 7.159 -20.009 1.00 0.00 C ATOM 1115 O ALA B 66 1.303 7.404 -18.947 1.00 0.00 O ATOM 1116 CB ALA B 66 2.937 9.213 -20.967 1.00 0.00 C ATOM 0 H ALA B 66 3.907 7.279 -22.248 1.00 0.00 H new ATOM 0 HA ALA B 66 3.758 7.967 -19.428 1.00 0.00 H new ATOM 0 HB1 ALA B 66 2.333 9.809 -20.283 1.00 0.00 H new ATOM 0 HB2 ALA B 66 3.886 9.717 -21.147 1.00 0.00 H new ATOM 0 HB3 ALA B 66 2.405 9.094 -21.911 1.00 0.00 H new ATOM 1122 N THR B 67 1.407 6.294 -20.912 1.00 0.00 N ATOM 1123 CA THR B 67 0.150 5.567 -20.718 1.00 0.00 C ATOM 1124 C THR B 67 0.226 4.623 -19.514 1.00 0.00 C ATOM 1125 O THR B 67 -0.773 4.400 -18.828 1.00 0.00 O ATOM 1126 CB THR B 67 -0.227 4.756 -21.976 1.00 0.00 C ATOM 1127 OG1 THR B 67 0.212 5.443 -23.155 1.00 0.00 O ATOM 1128 CG2 THR B 67 -1.732 4.531 -22.054 1.00 0.00 C ATOM 0 H THR B 67 1.882 6.079 -21.789 1.00 0.00 H new ATOM 0 HA THR B 67 -0.620 6.316 -20.531 1.00 0.00 H new ATOM 0 HB THR B 67 0.267 3.787 -21.910 1.00 0.00 H new ATOM 0 HG1 THR B 67 -0.030 4.920 -23.948 1.00 0.00 H new ATOM 0 HG21 THR B 67 -1.968 3.957 -22.950 1.00 0.00 H new ATOM 0 HG22 THR B 67 -2.064 3.981 -21.173 1.00 0.00 H new ATOM 0 HG23 THR B 67 -2.242 5.493 -22.095 1.00 0.00 H new ATOM 1136 N GLY B 68 1.416 4.070 -19.269 1.00 0.00 N ATOM 1137 CA GLY B 68 1.610 3.166 -18.145 1.00 0.00 C ATOM 1138 C GLY B 68 1.832 3.909 -16.838 1.00 0.00 C ATOM 1139 O GLY B 68 1.292 3.530 -15.792 1.00 0.00 O ATOM 0 H GLY B 68 2.251 4.234 -19.832 1.00 0.00 H new ATOM 0 HA2 GLY B 68 0.739 2.518 -18.048 1.00 0.00 H new ATOM 0 HA3 GLY B 68 2.466 2.521 -18.344 1.00 0.00 H new ATOM 1143 N LEU B 69 2.621 4.984 -16.911 1.00 0.00 N ATOM 1144 CA LEU B 69 2.930 5.805 -15.741 1.00 0.00 C ATOM 1145 C LEU B 69 1.670 6.442 -15.159 1.00 0.00 C ATOM 1146 O LEU B 69 1.480 6.452 -13.947 1.00 0.00 O ATOM 1147 CB LEU B 69 3.937 6.902 -16.108 1.00 0.00 C ATOM 1148 CG LEU B 69 5.342 6.410 -16.480 1.00 0.00 C ATOM 1149 CD1 LEU B 69 6.060 7.443 -17.334 1.00 0.00 C ATOM 1150 CD2 LEU B 69 6.153 6.103 -15.227 1.00 0.00 C ATOM 0 H LEU B 69 3.059 5.306 -17.774 1.00 0.00 H new ATOM 0 HA LEU B 69 3.366 5.150 -14.986 1.00 0.00 H new ATOM 0 HB2 LEU B 69 3.537 7.473 -16.946 1.00 0.00 H new ATOM 0 HB3 LEU B 69 4.022 7.589 -15.266 1.00 0.00 H new ATOM 0 HG LEU B 69 5.240 5.492 -17.058 1.00 0.00 H new ATOM 0 HD11 LEU B 69 7.055 7.077 -17.588 1.00 0.00 H new ATOM 0 HD12 LEU B 69 5.493 7.617 -18.248 1.00 0.00 H new ATOM 0 HD13 LEU B 69 6.148 8.377 -16.778 1.00 0.00 H new ATOM 0 HD21 LEU B 69 7.146 5.756 -15.512 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.244 7.005 -14.622 1.00 0.00 H new ATOM 0 HD23 LEU B 69 5.650 5.328 -14.649 1.00 0.00 H new ATOM 1162 N VAL B 70 0.806 6.956 -16.033 1.00 0.00 N ATOM 1163 CA VAL B 70 -0.435 7.602 -15.598 1.00 0.00 C ATOM 1164 C VAL B 70 -1.338 6.634 -14.832 1.00 0.00 C ATOM 1165 O VAL B 70 -1.935 6.995 -13.819 1.00 0.00 O ATOM 1166 CB VAL B 70 -1.211 8.225 -16.785 1.00 0.00 C ATOM 1167 CG1 VAL B 70 -0.423 9.387 -17.376 1.00 0.00 C ATOM 1168 CG2 VAL B 70 -1.519 7.190 -17.863 1.00 0.00 C ATOM 0 H VAL B 70 0.940 6.939 -17.044 1.00 0.00 H new ATOM 0 HA VAL B 70 -0.142 8.407 -14.924 1.00 0.00 H new ATOM 0 HB VAL B 70 -2.162 8.595 -16.403 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -0.979 9.817 -18.210 1.00 0.00 H new ATOM 0 HG12 VAL B 70 -0.269 10.148 -16.611 1.00 0.00 H new ATOM 0 HG13 VAL B 70 0.543 9.028 -17.731 1.00 0.00 H new ATOM 0 HG21 VAL B 70 -2.064 7.665 -18.679 1.00 0.00 H new ATOM 0 HG22 VAL B 70 -0.587 6.773 -18.244 1.00 0.00 H new ATOM 0 HG23 VAL B 70 -2.127 6.391 -17.438 1.00 0.00 H new ATOM 1178 N GLY B 71 -1.402 5.395 -15.311 1.00 0.00 N ATOM 1179 CA GLY B 71 -2.226 4.378 -14.673 1.00 0.00 C ATOM 1180 C GLY B 71 -1.707 3.969 -13.307 1.00 0.00 C ATOM 1181 O GLY B 71 -2.464 3.935 -12.334 1.00 0.00 O ATOM 0 H GLY B 71 -0.895 5.074 -16.135 1.00 0.00 H new ATOM 0 HA2 GLY B 71 -3.244 4.754 -14.572 1.00 0.00 H new ATOM 0 HA3 GLY B 71 -2.273 3.499 -15.316 1.00 0.00 H new ATOM 1185 N ALA B 72 -0.405 3.679 -13.230 1.00 0.00 N ATOM 1186 CA ALA B 72 0.213 3.252 -11.976 1.00 0.00 C ATOM 1187 C ALA B 72 0.386 4.400 -10.987 1.00 0.00 C ATOM 1188 O ALA B 72 0.129 4.236 -9.794 1.00 0.00 O ATOM 1189 CB ALA B 72 1.552 2.583 -12.247 1.00 0.00 C ATOM 0 H ALA B 72 0.238 3.733 -14.020 1.00 0.00 H new ATOM 0 HA ALA B 72 -0.465 2.533 -11.516 1.00 0.00 H new ATOM 0 HB1 ALA B 72 2.000 2.271 -11.304 1.00 0.00 H new ATOM 0 HB2 ALA B 72 1.401 1.711 -12.883 1.00 0.00 H new ATOM 0 HB3 ALA B 72 2.216 3.287 -12.748 1.00 0.00 H new ATOM 1195 N LEU B 73 0.820 5.557 -11.479 1.00 0.00 N ATOM 1196 CA LEU B 73 1.023 6.723 -10.621 1.00 0.00 C ATOM 1197 C LEU B 73 -0.307 7.223 -10.058 1.00 0.00 C ATOM 1198 O LEU B 73 -0.385 7.605 -8.886 1.00 0.00 O ATOM 1199 CB LEU B 73 1.743 7.834 -11.391 1.00 0.00 C ATOM 1200 CG LEU B 73 3.276 7.727 -11.413 1.00 0.00 C ATOM 1201 CD1 LEU B 73 3.735 6.506 -12.206 1.00 0.00 C ATOM 1202 CD2 LEU B 73 3.885 8.996 -11.990 1.00 0.00 C ATOM 0 H LEU B 73 1.037 5.713 -12.463 1.00 0.00 H new ATOM 0 HA LEU B 73 1.651 6.426 -9.781 1.00 0.00 H new ATOM 0 HB2 LEU B 73 1.380 7.836 -12.419 1.00 0.00 H new ATOM 0 HB3 LEU B 73 1.468 8.794 -10.954 1.00 0.00 H new ATOM 0 HG LEU B 73 3.620 7.606 -10.386 1.00 0.00 H new ATOM 0 HD11 LEU B 73 4.824 6.458 -12.203 1.00 0.00 H new ATOM 0 HD12 LEU B 73 3.331 5.603 -11.749 1.00 0.00 H new ATOM 0 HD13 LEU B 73 3.378 6.584 -13.233 1.00 0.00 H new ATOM 0 HD21 LEU B 73 4.971 8.906 -12.000 1.00 0.00 H new ATOM 0 HD22 LEU B 73 3.524 9.143 -13.008 1.00 0.00 H new ATOM 0 HD23 LEU B 73 3.597 9.850 -11.376 1.00 0.00 H new ATOM 1214 N LEU B 74 -1.356 7.208 -10.888 1.00 0.00 N ATOM 1215 CA LEU B 74 -2.682 7.642 -10.450 1.00 0.00 C ATOM 1216 C LEU B 74 -3.300 6.623 -9.497 1.00 0.00 C ATOM 1217 O LEU B 74 -3.927 6.994 -8.502 1.00 0.00 O ATOM 1218 CB LEU B 74 -3.606 7.872 -11.651 1.00 0.00 C ATOM 1219 CG LEU B 74 -3.746 9.333 -12.098 1.00 0.00 C ATOM 1220 CD1 LEU B 74 -2.526 9.775 -12.894 1.00 0.00 C ATOM 1221 CD2 LEU B 74 -5.012 9.515 -12.921 1.00 0.00 C ATOM 0 H LEU B 74 -1.311 6.902 -11.860 1.00 0.00 H new ATOM 0 HA LEU B 74 -2.565 8.586 -9.918 1.00 0.00 H new ATOM 0 HB2 LEU B 74 -3.235 7.286 -12.492 1.00 0.00 H new ATOM 0 HB3 LEU B 74 -4.596 7.487 -11.406 1.00 0.00 H new ATOM 0 HG LEU B 74 -3.815 9.958 -11.208 1.00 0.00 H new ATOM 0 HD11 LEU B 74 -2.648 10.814 -13.200 1.00 0.00 H new ATOM 0 HD12 LEU B 74 -1.634 9.682 -12.275 1.00 0.00 H new ATOM 0 HD13 LEU B 74 -2.421 9.146 -13.778 1.00 0.00 H new ATOM 0 HD21 LEU B 74 -5.098 10.556 -13.231 1.00 0.00 H new ATOM 0 HD22 LEU B 74 -4.967 8.876 -13.803 1.00 0.00 H new ATOM 0 HD23 LEU B 74 -5.879 9.243 -12.319 1.00 0.00 H new ATOM 1233 N LEU B 75 -3.098 5.337 -9.795 1.00 0.00 N ATOM 1234 CA LEU B 75 -3.631 4.266 -8.953 1.00 0.00 C ATOM 1235 C LEU B 75 -2.890 4.220 -7.618 1.00 0.00 C ATOM 1236 O LEU B 75 -3.499 4.014 -6.567 1.00 0.00 O ATOM 1237 CB LEU B 75 -3.525 2.912 -9.663 1.00 0.00 C ATOM 1238 CG LEU B 75 -4.858 2.303 -10.106 1.00 0.00 C ATOM 1239 CD1 LEU B 75 -5.118 2.593 -11.577 1.00 0.00 C ATOM 1240 CD2 LEU B 75 -4.875 0.804 -9.845 1.00 0.00 C ATOM 0 H LEU B 75 -2.573 5.015 -10.608 1.00 0.00 H new ATOM 0 HA LEU B 75 -4.684 4.474 -8.764 1.00 0.00 H new ATOM 0 HB2 LEU B 75 -2.888 3.028 -10.540 1.00 0.00 H new ATOM 0 HB3 LEU B 75 -3.026 2.208 -8.997 1.00 0.00 H new ATOM 0 HG LEU B 75 -5.655 2.762 -9.521 1.00 0.00 H new ATOM 0 HD11 LEU B 75 -6.070 2.152 -11.872 1.00 0.00 H new ATOM 0 HD12 LEU B 75 -5.153 3.671 -11.735 1.00 0.00 H new ATOM 0 HD13 LEU B 75 -4.317 2.164 -12.179 1.00 0.00 H new ATOM 0 HD21 LEU B 75 -5.830 0.390 -10.166 1.00 0.00 H new ATOM 0 HD22 LEU B 75 -4.067 0.329 -10.402 1.00 0.00 H new ATOM 0 HD23 LEU B 75 -4.739 0.619 -8.779 1.00 0.00 H new ATOM 1252 N LEU B 76 -1.573 4.431 -7.672 1.00 0.00 N ATOM 1253 CA LEU B 76 -0.737 4.432 -6.473 1.00 0.00 C ATOM 1254 C LEU B 76 -1.028 5.663 -5.616 1.00 0.00 C ATOM 1255 O LEU B 76 -0.964 5.604 -4.389 1.00 0.00 O ATOM 1256 CB LEU B 76 0.746 4.401 -6.856 1.00 0.00 C ATOM 1257 CG LEU B 76 1.670 3.724 -5.838 1.00 0.00 C ATOM 1258 CD1 LEU B 76 1.749 2.225 -6.095 1.00 0.00 C ATOM 1259 CD2 LEU B 76 3.057 4.347 -5.884 1.00 0.00 C ATOM 0 H LEU B 76 -1.062 4.604 -8.538 1.00 0.00 H new ATOM 0 HA LEU B 76 -0.971 3.539 -5.893 1.00 0.00 H new ATOM 0 HB2 LEU B 76 0.847 3.887 -7.812 1.00 0.00 H new ATOM 0 HB3 LEU B 76 1.087 5.425 -7.007 1.00 0.00 H new ATOM 0 HG LEU B 76 1.254 3.877 -4.842 1.00 0.00 H new ATOM 0 HD11 LEU B 76 2.410 1.764 -5.361 1.00 0.00 H new ATOM 0 HD12 LEU B 76 0.754 1.789 -6.011 1.00 0.00 H new ATOM 0 HD13 LEU B 76 2.140 2.048 -7.097 1.00 0.00 H new ATOM 0 HD21 LEU B 76 3.701 3.855 -5.155 1.00 0.00 H new ATOM 0 HD22 LEU B 76 3.478 4.224 -6.882 1.00 0.00 H new ATOM 0 HD23 LEU B 76 2.987 5.409 -5.648 1.00 0.00 H new ATOM 1271 N LEU B 77 -1.349 6.779 -6.281 1.00 0.00 N ATOM 1272 CA LEU B 77 -1.661 8.031 -5.594 1.00 0.00 C ATOM 1273 C LEU B 77 -2.996 7.932 -4.847 1.00 0.00 C ATOM 1274 O LEU B 77 -3.108 8.376 -3.703 1.00 0.00 O ATOM 1275 CB LEU B 77 -1.701 9.190 -6.597 1.00 0.00 C ATOM 1276 CG LEU B 77 -1.440 10.578 -6.005 1.00 0.00 C ATOM 1277 CD1 LEU B 77 0.052 10.883 -5.984 1.00 0.00 C ATOM 1278 CD2 LEU B 77 -2.191 11.643 -6.793 1.00 0.00 C ATOM 0 H LEU B 77 -1.399 6.837 -7.298 1.00 0.00 H new ATOM 0 HA LEU B 77 -0.876 8.221 -4.862 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -0.962 9.001 -7.376 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -2.678 9.197 -7.080 1.00 0.00 H new ATOM 0 HG LEU B 77 -1.805 10.586 -4.978 1.00 0.00 H new ATOM 0 HD11 LEU B 77 0.215 11.874 -5.560 1.00 0.00 H new ATOM 0 HD12 LEU B 77 0.567 10.139 -5.376 1.00 0.00 H new ATOM 0 HD13 LEU B 77 0.443 10.855 -7.001 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -1.994 12.623 -6.359 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -1.856 11.632 -7.830 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -3.261 11.437 -6.755 1.00 0.00 H new ATOM 1290 N VAL B 78 -4.002 7.341 -5.503 1.00 0.00 N ATOM 1291 CA VAL B 78 -5.331 7.181 -4.900 1.00 0.00 C ATOM 1292 C VAL B 78 -5.300 6.163 -3.754 1.00 0.00 C ATOM 1293 O VAL B 78 -5.887 6.395 -2.695 1.00 0.00 O ATOM 1294 CB VAL B 78 -6.389 6.748 -5.949 1.00 0.00 C ATOM 1295 CG1 VAL B 78 -7.766 6.602 -5.314 1.00 0.00 C ATOM 1296 CG2 VAL B 78 -6.444 7.742 -7.100 1.00 0.00 C ATOM 0 H VAL B 78 -3.922 6.967 -6.448 1.00 0.00 H new ATOM 0 HA VAL B 78 -5.616 8.156 -4.503 1.00 0.00 H new ATOM 0 HB VAL B 78 -6.089 5.776 -6.340 1.00 0.00 H new ATOM 0 HG11 VAL B 78 -8.486 6.298 -6.073 1.00 0.00 H new ATOM 0 HG12 VAL B 78 -7.726 5.847 -4.528 1.00 0.00 H new ATOM 0 HG13 VAL B 78 -8.072 7.556 -4.885 1.00 0.00 H new ATOM 0 HG21 VAL B 78 -7.192 7.419 -7.824 1.00 0.00 H new ATOM 0 HG22 VAL B 78 -6.711 8.727 -6.717 1.00 0.00 H new ATOM 0 HG23 VAL B 78 -5.469 7.792 -7.584 1.00 0.00 H new ATOM 1306 N VAL B 79 -4.607 5.040 -3.972 1.00 0.00 N ATOM 1307 CA VAL B 79 -4.496 3.988 -2.958 1.00 0.00 C ATOM 1308 C VAL B 79 -3.692 4.474 -1.747 1.00 0.00 C ATOM 1309 O VAL B 79 -4.075 4.230 -0.599 1.00 0.00 O ATOM 1310 CB VAL B 79 -3.851 2.704 -3.541 1.00 0.00 C ATOM 1311 CG1 VAL B 79 -3.629 1.654 -2.460 1.00 0.00 C ATOM 1312 CG2 VAL B 79 -4.711 2.132 -4.659 1.00 0.00 C ATOM 0 H VAL B 79 -4.115 4.837 -4.842 1.00 0.00 H new ATOM 0 HA VAL B 79 -5.508 3.746 -2.633 1.00 0.00 H new ATOM 0 HB VAL B 79 -2.879 2.980 -3.950 1.00 0.00 H new ATOM 0 HG11 VAL B 79 -3.176 0.767 -2.902 1.00 0.00 H new ATOM 0 HG12 VAL B 79 -2.967 2.056 -1.693 1.00 0.00 H new ATOM 0 HG13 VAL B 79 -4.585 1.387 -2.010 1.00 0.00 H new ATOM 0 HG21 VAL B 79 -4.241 1.232 -5.055 1.00 0.00 H new ATOM 0 HG22 VAL B 79 -5.698 1.885 -4.268 1.00 0.00 H new ATOM 0 HG23 VAL B 79 -4.810 2.870 -5.455 1.00 0.00 H new ATOM 1322 N ALA B 80 -2.582 5.171 -2.012 1.00 0.00 N ATOM 1323 CA ALA B 80 -1.727 5.699 -0.948 1.00 0.00 C ATOM 1324 C ALA B 80 -2.439 6.800 -0.164 1.00 0.00 C ATOM 1325 O ALA B 80 -2.316 6.880 1.061 1.00 0.00 O ATOM 1326 CB ALA B 80 -0.420 6.223 -1.527 1.00 0.00 C ATOM 0 H ALA B 80 -2.256 5.382 -2.955 1.00 0.00 H new ATOM 0 HA ALA B 80 -1.505 4.883 -0.260 1.00 0.00 H new ATOM 0 HB1 ALA B 80 0.204 6.612 -0.723 1.00 0.00 H new ATOM 0 HB2 ALA B 80 0.104 5.413 -2.034 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -0.631 7.020 -2.240 1.00 0.00 H new ATOM 1332 N LEU B 81 -3.188 7.645 -0.880 1.00 0.00 N ATOM 1333 CA LEU B 81 -3.935 8.737 -0.257 1.00 0.00 C ATOM 1334 C LEU B 81 -5.092 8.191 0.579 1.00 0.00 C ATOM 1335 O LEU B 81 -5.423 8.739 1.633 1.00 0.00 O ATOM 1336 CB LEU B 81 -4.468 9.696 -1.327 1.00 0.00 C ATOM 1337 CG LEU B 81 -4.674 11.142 -0.865 1.00 0.00 C ATOM 1338 CD1 LEU B 81 -3.405 11.958 -1.072 1.00 0.00 C ATOM 1339 CD2 LEU B 81 -5.843 11.775 -1.604 1.00 0.00 C ATOM 0 H LEU B 81 -3.292 7.591 -1.893 1.00 0.00 H new ATOM 0 HA LEU B 81 -3.258 9.282 0.401 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -3.776 9.696 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -5.419 9.311 -1.696 1.00 0.00 H new ATOM 0 HG LEU B 81 -4.904 11.133 0.200 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -3.572 12.982 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -2.591 11.517 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -3.142 11.960 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -5.975 12.802 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -5.641 11.771 -2.675 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.751 11.206 -1.403 1.00 0.00 H new ATOM 1351 N GLY B 82 -5.697 7.097 0.100 1.00 0.00 N ATOM 1352 CA GLY B 82 -6.804 6.473 0.809 1.00 0.00 C ATOM 1353 C GLY B 82 -6.365 5.842 2.119 1.00 0.00 C ATOM 1354 O GLY B 82 -6.941 6.125 3.172 1.00 0.00 O ATOM 0 H GLY B 82 -5.436 6.633 -0.770 1.00 0.00 H new ATOM 0 HA2 GLY B 82 -7.573 7.220 1.007 1.00 0.00 H new ATOM 0 HA3 GLY B 82 -7.256 5.711 0.174 1.00 0.00 H new ATOM 1358 N ILE B 83 -5.336 4.993 2.053 1.00 0.00 N ATOM 1359 CA ILE B 83 -4.810 4.325 3.246 1.00 0.00 C ATOM 1360 C ILE B 83 -4.193 5.345 4.205 1.00 0.00 C ATOM 1361 O ILE B 83 -4.316 5.216 5.423 1.00 0.00 O ATOM 1362 CB ILE B 83 -3.752 3.248 2.893 1.00 0.00 C ATOM 1363 CG1 ILE B 83 -4.277 2.313 1.795 1.00 0.00 C ATOM 1364 CG2 ILE B 83 -3.370 2.444 4.135 1.00 0.00 C ATOM 1365 CD1 ILE B 83 -3.183 1.676 0.961 1.00 0.00 C ATOM 0 H ILE B 83 -4.852 4.752 1.188 1.00 0.00 H new ATOM 0 HA ILE B 83 -5.653 3.829 3.727 1.00 0.00 H new ATOM 0 HB ILE B 83 -2.862 3.754 2.519 1.00 0.00 H new ATOM 0 HG12 ILE B 83 -4.875 1.526 2.255 1.00 0.00 H new ATOM 0 HG13 ILE B 83 -4.941 2.875 1.139 1.00 0.00 H new ATOM 0 HG21 ILE B 83 -2.627 1.693 3.868 1.00 0.00 H new ATOM 0 HG22 ILE B 83 -2.955 3.114 4.888 1.00 0.00 H new ATOM 0 HG23 ILE B 83 -4.256 1.951 4.536 1.00 0.00 H new ATOM 0 HD11 ILE B 83 -3.631 1.029 0.206 1.00 0.00 H new ATOM 0 HD12 ILE B 83 -2.599 2.455 0.471 1.00 0.00 H new ATOM 0 HD13 ILE B 83 -2.532 1.085 1.605 1.00 0.00 H new ATOM 1377 N GLY B 84 -3.535 6.362 3.639 1.00 0.00 N ATOM 1378 CA GLY B 84 -2.916 7.400 4.451 1.00 0.00 C ATOM 1379 C GLY B 84 -3.933 8.206 5.236 1.00 0.00 C ATOM 1380 O GLY B 84 -3.755 8.442 6.433 1.00 0.00 O ATOM 0 H GLY B 84 -3.421 6.483 2.633 1.00 0.00 H new ATOM 0 HA2 GLY B 84 -2.208 6.943 5.142 1.00 0.00 H new ATOM 0 HA3 GLY B 84 -2.346 8.069 3.807 1.00 0.00 H new ATOM 1384 N LEU B 85 -5.009 8.618 4.560 1.00 0.00 N ATOM 1385 CA LEU B 85 -6.074 9.398 5.195 1.00 0.00 C ATOM 1386 C LEU B 85 -6.937 8.521 6.104 1.00 0.00 C ATOM 1387 O LEU B 85 -7.557 9.016 7.047 1.00 0.00 O ATOM 1388 CB LEU B 85 -6.953 10.066 4.131 1.00 0.00 C ATOM 1389 CG LEU B 85 -6.295 11.220 3.369 1.00 0.00 C ATOM 1390 CD1 LEU B 85 -6.941 11.388 2.002 1.00 0.00 C ATOM 1391 CD2 LEU B 85 -6.393 12.516 4.164 1.00 0.00 C ATOM 0 H LEU B 85 -5.165 8.424 3.571 1.00 0.00 H new ATOM 0 HA LEU B 85 -5.603 10.167 5.807 1.00 0.00 H new ATOM 0 HB2 LEU B 85 -7.264 9.308 3.412 1.00 0.00 H new ATOM 0 HB3 LEU B 85 -7.857 10.439 4.612 1.00 0.00 H new ATOM 0 HG LEU B 85 -5.240 10.982 3.230 1.00 0.00 H new ATOM 0 HD11 LEU B 85 -6.463 12.212 1.472 1.00 0.00 H new ATOM 0 HD12 LEU B 85 -6.821 10.469 1.428 1.00 0.00 H new ATOM 0 HD13 LEU B 85 -8.002 11.603 2.125 1.00 0.00 H new ATOM 0 HD21 LEU B 85 -5.919 13.323 3.605 1.00 0.00 H new ATOM 0 HD22 LEU B 85 -7.442 12.760 4.335 1.00 0.00 H new ATOM 0 HD23 LEU B 85 -5.888 12.394 5.122 1.00 0.00 H new ATOM 1403 N PHE B 86 -6.967 7.217 5.814 1.00 0.00 N ATOM 1404 CA PHE B 86 -7.749 6.265 6.605 1.00 0.00 C ATOM 1405 C PHE B 86 -7.057 5.954 7.936 1.00 0.00 C ATOM 1406 O PHE B 86 -7.717 5.825 8.970 1.00 0.00 O ATOM 1407 CB PHE B 86 -7.966 4.971 5.812 1.00 0.00 C ATOM 1408 CG PHE B 86 -9.213 4.225 6.201 1.00 0.00 C ATOM 1409 CD1 PHE B 86 -10.417 4.483 5.567 1.00 0.00 C ATOM 1410 CD2 PHE B 86 -9.177 3.266 7.201 1.00 0.00 C ATOM 1411 CE1 PHE B 86 -11.564 3.798 5.922 1.00 0.00 C ATOM 1412 CE2 PHE B 86 -10.321 2.578 7.560 1.00 0.00 C ATOM 1413 CZ PHE B 86 -11.516 2.844 6.920 1.00 0.00 C ATOM 0 H PHE B 86 -6.458 6.797 5.036 1.00 0.00 H new ATOM 0 HA PHE B 86 -8.716 6.719 6.821 1.00 0.00 H new ATOM 0 HB2 PHE B 86 -8.013 5.210 4.750 1.00 0.00 H new ATOM 0 HB3 PHE B 86 -7.104 4.319 5.954 1.00 0.00 H new ATOM 0 HD1 PHE B 86 -10.460 5.228 4.786 1.00 0.00 H new ATOM 0 HD2 PHE B 86 -8.246 3.054 7.705 1.00 0.00 H new ATOM 0 HE1 PHE B 86 -12.497 4.008 5.420 1.00 0.00 H new ATOM 0 HE2 PHE B 86 -10.281 1.833 8.341 1.00 0.00 H new ATOM 0 HZ PHE B 86 -12.411 2.307 7.199 1.00 0.00 H new ATOM 1423 N ILE B 87 -5.726 5.832 7.900 1.00 0.00 N ATOM 1424 CA ILE B 87 -4.942 5.538 9.103 1.00 0.00 C ATOM 1425 C ILE B 87 -4.646 6.815 9.897 1.00 0.00 C ATOM 1426 O ILE B 87 -4.525 6.776 11.123 1.00 0.00 O ATOM 1427 CB ILE B 87 -3.607 4.823 8.757 1.00 0.00 C ATOM 1428 CG1 ILE B 87 -3.847 3.588 7.865 1.00 0.00 C ATOM 1429 CG2 ILE B 87 -2.855 4.427 10.027 1.00 0.00 C ATOM 1430 CD1 ILE B 87 -4.792 2.549 8.451 1.00 0.00 C ATOM 0 H ILE B 87 -5.170 5.932 7.051 1.00 0.00 H new ATOM 0 HA ILE B 87 -5.546 4.869 9.716 1.00 0.00 H new ATOM 0 HB ILE B 87 -2.992 5.528 8.198 1.00 0.00 H new ATOM 0 HG12 ILE B 87 -4.246 3.922 6.907 1.00 0.00 H new ATOM 0 HG13 ILE B 87 -2.888 3.112 7.662 1.00 0.00 H new ATOM 0 HG21 ILE B 87 -1.924 3.928 9.758 1.00 0.00 H new ATOM 0 HG22 ILE B 87 -2.633 5.320 10.611 1.00 0.00 H new ATOM 0 HG23 ILE B 87 -3.471 3.750 10.619 1.00 0.00 H new ATOM 0 HD11 ILE B 87 -4.898 1.719 7.753 1.00 0.00 H new ATOM 0 HD12 ILE B 87 -4.388 2.180 9.394 1.00 0.00 H new ATOM 0 HD13 ILE B 87 -5.767 3.002 8.627 1.00 0.00 H new ATOM 1442 N ARG B 88 -4.531 7.946 9.189 1.00 0.00 N ATOM 1443 CA ARG B 88 -4.251 9.236 9.827 1.00 0.00 C ATOM 1444 C ARG B 88 -5.404 9.666 10.740 1.00 0.00 C ATOM 1445 O ARG B 88 -5.201 10.418 11.695 1.00 0.00 O ATOM 1446 CB ARG B 88 -3.999 10.309 8.765 1.00 0.00 C ATOM 1447 CG ARG B 88 -3.001 11.373 9.195 1.00 0.00 C ATOM 1448 CD ARG B 88 -2.789 12.411 8.104 1.00 0.00 C ATOM 1449 NE ARG B 88 -1.829 13.440 8.505 1.00 0.00 N ATOM 1450 CZ ARG B 88 -1.466 14.466 7.734 1.00 0.00 C ATOM 1451 NH1 ARG B 88 -1.976 14.609 6.515 1.00 0.00 N ATOM 1452 NH2 ARG B 88 -0.587 15.352 8.183 1.00 0.00 N ATOM 0 H ARG B 88 -4.628 7.992 8.175 1.00 0.00 H new ATOM 0 HA ARG B 88 -3.357 9.119 10.439 1.00 0.00 H new ATOM 0 HB2 ARG B 88 -3.636 9.830 7.856 1.00 0.00 H new ATOM 0 HB3 ARG B 88 -4.945 10.790 8.516 1.00 0.00 H new ATOM 0 HG2 ARG B 88 -3.358 11.863 10.101 1.00 0.00 H new ATOM 0 HG3 ARG B 88 -2.049 10.902 9.441 1.00 0.00 H new ATOM 0 HD2 ARG B 88 -2.435 11.918 7.199 1.00 0.00 H new ATOM 0 HD3 ARG B 88 -3.742 12.880 7.860 1.00 0.00 H new ATOM 0 HE ARG B 88 -1.411 13.368 9.433 1.00 0.00 H new ATOM 0 HH11 ARG B 88 -2.651 13.931 6.162 1.00 0.00 H new ATOM 0 HH12 ARG B 88 -1.692 15.397 5.933 1.00 0.00 H new ATOM 0 HH21 ARG B 88 -0.190 15.248 9.117 1.00 0.00 H new ATOM 0 HH22 ARG B 88 -0.308 16.137 7.595 1.00 0.00 H new ATOM 1466 N ARG B 89 -6.608 9.182 10.433 1.00 0.00 N ATOM 1467 CA ARG B 89 -7.802 9.507 11.218 1.00 0.00 C ATOM 1468 C ARG B 89 -7.905 8.624 12.463 1.00 0.00 C ATOM 1469 O ARG B 89 -8.629 8.953 13.406 1.00 0.00 O ATOM 1470 CB ARG B 89 -9.061 9.347 10.363 1.00 0.00 C ATOM 1471 CG ARG B 89 -9.247 10.455 9.337 1.00 0.00 C ATOM 1472 CD ARG B 89 -10.510 10.247 8.516 1.00 0.00 C ATOM 1473 NE ARG B 89 -10.700 11.307 7.525 1.00 0.00 N ATOM 1474 CZ ARG B 89 -11.731 11.363 6.679 1.00 0.00 C ATOM 1475 NH1 ARG B 89 -12.670 10.424 6.695 1.00 0.00 N ATOM 1476 NH2 ARG B 89 -11.819 12.363 5.813 1.00 0.00 N ATOM 0 H ARG B 89 -6.784 8.561 9.643 1.00 0.00 H new ATOM 0 HA ARG B 89 -7.716 10.545 11.540 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -9.019 8.388 9.846 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -9.933 9.319 11.017 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -9.296 11.418 9.845 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -8.382 10.488 8.674 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -10.459 9.283 8.010 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -11.373 10.213 9.181 1.00 0.00 H new ATOM 0 HE ARG B 89 -10.001 12.049 7.478 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -12.607 9.651 7.358 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -13.454 10.476 6.045 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -11.100 13.086 5.795 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -12.605 12.409 5.165 1.00 0.00 H new ATOM 1490 N ARG B 90 -7.178 7.506 12.456 1.00 0.00 N ATOM 1491 CA ARG B 90 -7.182 6.564 13.578 1.00 0.00 C ATOM 1492 C ARG B 90 -6.226 7.008 14.688 1.00 0.00 C ATOM 1493 O ARG B 90 -6.373 6.595 15.841 1.00 0.00 O ATOM 1494 CB ARG B 90 -6.801 5.162 13.097 1.00 0.00 C ATOM 1495 CG ARG B 90 -7.909 4.456 12.333 1.00 0.00 C ATOM 1496 CD ARG B 90 -7.479 3.070 11.881 1.00 0.00 C ATOM 1497 NE ARG B 90 -8.553 2.361 11.187 1.00 0.00 N ATOM 1498 CZ ARG B 90 -8.416 1.159 10.623 1.00 0.00 C ATOM 1499 NH1 ARG B 90 -7.250 0.522 10.669 1.00 0.00 N ATOM 1500 NH2 ARG B 90 -9.447 0.593 10.015 1.00 0.00 N ATOM 0 H ARG B 90 -6.575 7.229 11.681 1.00 0.00 H new ATOM 0 HA ARG B 90 -8.192 6.544 13.987 1.00 0.00 H new ATOM 0 HB2 ARG B 90 -5.920 5.233 12.459 1.00 0.00 H new ATOM 0 HB3 ARG B 90 -6.522 4.555 13.959 1.00 0.00 H new ATOM 0 HG2 ARG B 90 -8.794 4.376 12.965 1.00 0.00 H new ATOM 0 HG3 ARG B 90 -8.190 5.052 11.465 1.00 0.00 H new ATOM 0 HD2 ARG B 90 -6.616 3.156 11.221 1.00 0.00 H new ATOM 0 HD3 ARG B 90 -7.162 2.489 12.747 1.00 0.00 H new ATOM 0 HE ARG B 90 -9.465 2.814 11.130 1.00 0.00 H new ATOM 0 HH11 ARG B 90 -6.452 0.952 11.138 1.00 0.00 H new ATOM 0 HH12 ARG B 90 -7.153 -0.396 10.236 1.00 0.00 H new ATOM 0 HH21 ARG B 90 -10.345 1.075 9.978 1.00 0.00 H new ATOM 0 HH22 ARG B 90 -9.343 -0.325 9.584 1.00 0.00 H new ATOM 1514 N HIS B 91 -5.252 7.850 14.334 1.00 0.00 N ATOM 1515 CA HIS B 91 -4.268 8.351 15.296 1.00 0.00 C ATOM 1516 C HIS B 91 -4.905 9.296 16.319 1.00 0.00 C ATOM 1517 O HIS B 91 -4.361 9.500 17.406 1.00 0.00 O ATOM 1518 CB HIS B 91 -3.131 9.070 14.566 1.00 0.00 C ATOM 1519 CG HIS B 91 -2.162 8.142 13.901 1.00 0.00 C ATOM 1520 ND1 HIS B 91 -2.151 7.913 12.541 1.00 0.00 N ATOM 1521 CD2 HIS B 91 -1.163 7.386 14.417 1.00 0.00 C ATOM 1522 CE1 HIS B 91 -1.188 7.056 12.248 1.00 0.00 C ATOM 1523 NE2 HIS B 91 -0.574 6.722 13.369 1.00 0.00 N ATOM 0 H HIS B 91 -5.124 8.200 13.385 1.00 0.00 H new ATOM 0 HA HIS B 91 -3.870 7.491 15.834 1.00 0.00 H new ATOM 0 HB2 HIS B 91 -3.557 9.736 13.815 1.00 0.00 H new ATOM 0 HB3 HIS B 91 -2.592 9.695 15.278 1.00 0.00 H new ATOM 0 HD2 HIS B 91 -0.882 7.318 15.458 1.00 0.00 H new ATOM 0 HE1 HIS B 91 -0.945 6.691 11.261 1.00 0.00 H new ATOM 0 HE2 HIS B 91 0.211 6.075 13.444 1.00 0.00 H new ATOM 1532 N ILE B 92 -6.057 9.867 15.961 1.00 0.00 N ATOM 1533 CA ILE B 92 -6.774 10.789 16.847 1.00 0.00 C ATOM 1534 C ILE B 92 -7.637 10.025 17.856 1.00 0.00 C ATOM 1535 O ILE B 92 -8.153 10.610 18.810 1.00 0.00 O ATOM 1536 CB ILE B 92 -7.671 11.771 16.052 1.00 0.00 C ATOM 1537 CG1 ILE B 92 -6.988 12.197 14.745 1.00 0.00 C ATOM 1538 CG2 ILE B 92 -7.999 12.998 16.899 1.00 0.00 C ATOM 1539 CD1 ILE B 92 -7.949 12.375 13.587 1.00 0.00 C ATOM 0 H ILE B 92 -6.514 9.708 15.063 1.00 0.00 H new ATOM 0 HA ILE B 92 -6.015 11.363 17.380 1.00 0.00 H new ATOM 0 HB ILE B 92 -8.600 11.257 15.804 1.00 0.00 H new ATOM 0 HG12 ILE B 92 -6.456 13.134 14.912 1.00 0.00 H new ATOM 0 HG13 ILE B 92 -6.242 11.450 14.475 1.00 0.00 H new ATOM 0 HG21 ILE B 92 -8.630 13.678 16.326 1.00 0.00 H new ATOM 0 HG22 ILE B 92 -8.526 12.687 17.801 1.00 0.00 H new ATOM 0 HG23 ILE B 92 -7.075 13.506 17.176 1.00 0.00 H new ATOM 0 HD11 ILE B 92 -7.395 12.676 12.698 1.00 0.00 H new ATOM 0 HD12 ILE B 92 -8.463 11.434 13.393 1.00 0.00 H new ATOM 0 HD13 ILE B 92 -8.681 13.143 13.836 1.00 0.00 H new ATOM 1651 N LEU B 98 -0.557 2.097 23.409 1.00 0.00 N ATOM 1652 CA LEU B 98 -0.007 0.876 22.832 1.00 0.00 C ATOM 1653 C LEU B 98 1.507 0.991 22.694 1.00 0.00 C ATOM 1654 O LEU B 98 2.229 0.041 22.956 1.00 0.00 O ATOM 1655 CB LEU B 98 -0.652 0.586 21.470 1.00 0.00 C ATOM 1656 CG LEU B 98 -0.495 -0.852 20.958 1.00 0.00 C ATOM 1657 CD1 LEU B 98 -1.387 -1.811 21.739 1.00 0.00 C ATOM 1658 CD2 LEU B 98 -0.814 -0.918 19.473 1.00 0.00 C ATOM 0 HA LEU B 98 -0.232 0.045 23.501 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -1.715 0.816 21.535 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -0.223 1.265 20.733 1.00 0.00 H new ATOM 0 HG LEU B 98 0.540 -1.158 21.109 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -1.256 -2.823 21.356 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -1.114 -1.784 22.794 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -2.429 -1.512 21.626 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -0.699 -1.943 19.121 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -1.840 -0.590 19.306 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -0.132 -0.268 18.925 1.00 0.00 H new ATOM 1670 N ARG B 99 1.959 2.175 22.283 1.00 0.00 N ATOM 1671 CA ARG B 99 3.375 2.487 22.118 1.00 0.00 C ATOM 1672 C ARG B 99 4.044 2.476 23.476 1.00 0.00 C ATOM 1673 O ARG B 99 5.224 2.138 23.604 1.00 0.00 O ATOM 1674 CB ARG B 99 3.555 3.856 21.452 1.00 0.00 C ATOM 1675 CG ARG B 99 3.220 3.862 19.969 1.00 0.00 C ATOM 1676 CD ARG B 99 3.415 5.241 19.356 1.00 0.00 C ATOM 1677 NE ARG B 99 4.830 5.567 19.173 1.00 0.00 N ATOM 1678 CZ ARG B 99 5.272 6.715 18.653 1.00 0.00 C ATOM 1679 NH1 ARG B 99 4.417 7.653 18.261 1.00 0.00 N ATOM 1680 NH2 ARG B 99 6.576 6.923 18.526 1.00 0.00 N ATOM 0 H ARG B 99 1.342 2.954 22.053 1.00 0.00 H new ATOM 0 HA ARG B 99 3.834 1.736 21.475 1.00 0.00 H new ATOM 0 HB2 ARG B 99 2.923 4.584 21.961 1.00 0.00 H new ATOM 0 HB3 ARG B 99 4.587 4.182 21.584 1.00 0.00 H new ATOM 0 HG2 ARG B 99 3.851 3.140 19.450 1.00 0.00 H new ATOM 0 HG3 ARG B 99 2.187 3.543 19.827 1.00 0.00 H new ATOM 0 HD2 ARG B 99 2.906 5.285 18.393 1.00 0.00 H new ATOM 0 HD3 ARG B 99 2.951 5.991 19.996 1.00 0.00 H new ATOM 0 HE ARG B 99 5.521 4.874 19.460 1.00 0.00 H new ATOM 0 HH11 ARG B 99 3.413 7.500 18.356 1.00 0.00 H new ATOM 0 HH12 ARG B 99 4.764 8.526 17.865 1.00 0.00 H new ATOM 0 HH21 ARG B 99 7.238 6.207 18.825 1.00 0.00 H new ATOM 0 HH22 ARG B 99 6.916 7.799 18.129 1.00 0.00 H new ATOM 1694 N ARG B 100 3.267 2.853 24.496 1.00 0.00 N ATOM 1695 CA ARG B 100 3.750 2.829 25.870 1.00 0.00 C ATOM 1696 C ARG B 100 3.908 1.371 26.270 1.00 0.00 C ATOM 1697 O ARG B 100 4.603 1.035 27.228 1.00 0.00 O ATOM 1698 CB ARG B 100 2.771 3.542 26.810 1.00 0.00 C ATOM 1699 CG ARG B 100 2.816 5.061 26.711 1.00 0.00 C ATOM 1700 CD ARG B 100 3.863 5.654 27.641 1.00 0.00 C ATOM 1701 NE ARG B 100 3.914 7.113 27.550 1.00 0.00 N ATOM 1702 CZ ARG B 100 4.748 7.878 28.258 1.00 0.00 C ATOM 1703 NH1 ARG B 100 5.606 7.331 29.112 1.00 0.00 N ATOM 1704 NH2 ARG B 100 4.722 9.196 28.110 1.00 0.00 N ATOM 0 H ARG B 100 2.305 3.176 24.392 1.00 0.00 H new ATOM 0 HA ARG B 100 4.702 3.354 25.944 1.00 0.00 H new ATOM 0 HB2 ARG B 100 1.759 3.203 26.589 1.00 0.00 H new ATOM 0 HB3 ARG B 100 2.989 3.248 27.837 1.00 0.00 H new ATOM 0 HG2 ARG B 100 3.035 5.352 25.684 1.00 0.00 H new ATOM 0 HG3 ARG B 100 1.836 5.471 26.957 1.00 0.00 H new ATOM 0 HD2 ARG B 100 3.642 5.362 28.668 1.00 0.00 H new ATOM 0 HD3 ARG B 100 4.841 5.241 27.395 1.00 0.00 H new ATOM 0 HE ARG B 100 3.272 7.575 26.905 1.00 0.00 H new ATOM 0 HH11 ARG B 100 5.631 6.318 29.231 1.00 0.00 H new ATOM 0 HH12 ARG B 100 6.239 7.924 29.649 1.00 0.00 H new ATOM 0 HH21 ARG B 100 4.066 9.623 27.456 1.00 0.00 H new ATOM 0 HH22 ARG B 100 5.358 9.782 28.650 1.00 0.00 H new ATOM 1718 N LEU B 101 3.218 0.524 25.504 1.00 0.00 N ATOM 1719 CA LEU B 101 3.253 -0.914 25.670 1.00 0.00 C ATOM 1720 C LEU B 101 3.962 -1.562 24.480 1.00 0.00 C ATOM 1721 O LEU B 101 4.515 -2.655 24.606 1.00 0.00 O ATOM 1722 CB LEU B 101 1.832 -1.479 25.800 1.00 0.00 C ATOM 1723 CG LEU B 101 1.107 -1.146 27.109 1.00 0.00 C ATOM 1724 CD1 LEU B 101 -0.399 -1.272 26.930 1.00 0.00 C ATOM 1725 CD2 LEU B 101 1.583 -2.052 28.237 1.00 0.00 C ATOM 0 H LEU B 101 2.613 0.831 24.742 1.00 0.00 H new ATOM 0 HA LEU B 101 3.803 -1.141 26.583 1.00 0.00 H new ATOM 0 HB2 LEU B 101 1.234 -1.106 24.969 1.00 0.00 H new ATOM 0 HB3 LEU B 101 1.880 -2.563 25.697 1.00 0.00 H new ATOM 0 HG LEU B 101 1.342 -0.115 27.375 1.00 0.00 H new ATOM 0 HD11 LEU B 101 -0.898 -1.032 27.869 1.00 0.00 H new ATOM 0 HD12 LEU B 101 -0.732 -0.582 26.155 1.00 0.00 H new ATOM 0 HD13 LEU B 101 -0.647 -2.293 26.638 1.00 0.00 H new ATOM 0 HD21 LEU B 101 1.055 -1.797 29.156 1.00 0.00 H new ATOM 0 HD22 LEU B 101 1.381 -3.091 27.979 1.00 0.00 H new ATOM 0 HD23 LEU B 101 2.654 -1.917 28.385 1.00 0.00 H new ATOM 1737 N LEU B 102 3.942 -0.877 23.315 1.00 0.00 N ATOM 1738 CA LEU B 102 4.584 -1.412 22.107 1.00 0.00 C ATOM 1739 C LEU B 102 6.105 -1.377 22.235 1.00 0.00 C ATOM 1740 O LEU B 102 6.787 -2.340 21.884 1.00 0.00 O ATOM 1741 CB LEU B 102 4.145 -0.627 20.864 1.00 0.00 C ATOM 1742 CG LEU B 102 4.135 -1.421 19.553 1.00 0.00 C ATOM 1743 CD1 LEU B 102 3.034 -0.913 18.634 1.00 0.00 C ATOM 1744 CD2 LEU B 102 5.487 -1.327 18.861 1.00 0.00 C ATOM 0 H LEU B 102 3.495 0.031 23.192 1.00 0.00 H new ATOM 0 HA LEU B 102 4.269 -2.450 21.996 1.00 0.00 H new ATOM 0 HB2 LEU B 102 3.143 -0.234 21.039 1.00 0.00 H new ATOM 0 HB3 LEU B 102 4.807 0.230 20.744 1.00 0.00 H new ATOM 0 HG LEU B 102 3.939 -2.468 19.786 1.00 0.00 H new ATOM 0 HD11 LEU B 102 3.040 -1.487 17.707 1.00 0.00 H new ATOM 0 HD12 LEU B 102 2.068 -1.028 19.126 1.00 0.00 H new ATOM 0 HD13 LEU B 102 3.204 0.140 18.410 1.00 0.00 H new ATOM 0 HD21 LEU B 102 5.461 -1.897 17.932 1.00 0.00 H new ATOM 0 HD22 LEU B 102 5.711 -0.283 18.640 1.00 0.00 H new ATOM 0 HD23 LEU B 102 6.259 -1.733 19.514 1.00 0.00 H new