USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 494 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 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 59:sc= -0.681! USER MOD Single : A 92 SER OG : rot -33:sc= 0.38 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl -170:sc= 0 (180deg=-0.0372) USER MOD Single : B 87 THR OG1 : rot 58:sc= 0.0549 USER MOD Single : B 92 SER OG : rot 86:sc= 1.19 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 70 6.002 1.863 5.280 1.00 0.00 N ATOM 2 CA GLU A 70 5.202 1.152 4.290 1.00 0.00 C ATOM 3 C GLU A 70 6.067 0.695 3.118 1.00 0.00 C ATOM 4 O GLU A 70 5.966 1.207 2.003 1.00 0.00 O ATOM 5 CB GLU A 70 4.066 2.043 3.783 1.00 0.00 C ATOM 6 CG GLU A 70 3.089 2.460 4.869 1.00 0.00 C ATOM 7 CD GLU A 70 2.295 3.697 4.495 1.00 0.00 C ATOM 8 OE1 GLU A 70 1.586 3.659 3.468 1.00 0.00 O ATOM 9 OE2 GLU A 70 2.384 4.703 5.230 1.00 0.00 O ATOM 0 HA GLU A 70 4.776 0.271 4.770 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.492 2.936 3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.522 1.514 3.000 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.402 1.638 5.069 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.637 2.650 5.792 1.00 0.00 H new ATOM 16 N PRO A 71 6.938 -0.292 3.376 1.00 0.00 N ATOM 17 CA PRO A 71 7.837 -0.840 2.357 1.00 0.00 C ATOM 18 C PRO A 71 7.091 -1.643 1.296 1.00 0.00 C ATOM 19 O PRO A 71 5.861 -1.644 1.258 1.00 0.00 O ATOM 20 CB PRO A 71 8.770 -1.751 3.159 1.00 0.00 C ATOM 21 CG PRO A 71 7.982 -2.133 4.364 1.00 0.00 C ATOM 22 CD PRO A 71 7.112 -0.949 4.682 1.00 0.00 C ATOM 0 HA PRO A 71 8.355 -0.055 1.807 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.060 -2.628 2.581 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.689 -1.233 3.434 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.379 -3.020 4.171 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.639 -2.371 5.201 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.157 -1.255 5.108 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.585 -0.285 5.406 1.00 0.00 H new ATOM 30 N GLU A 72 7.844 -2.325 0.438 1.00 0.00 N ATOM 31 CA GLU A 72 7.251 -3.132 -0.622 1.00 0.00 C ATOM 32 C GLU A 72 8.018 -4.438 -0.805 1.00 0.00 C ATOM 33 O GLU A 72 9.088 -4.463 -1.414 1.00 0.00 O ATOM 34 CB GLU A 72 7.233 -2.350 -1.938 1.00 0.00 C ATOM 35 CG GLU A 72 6.040 -2.674 -2.821 1.00 0.00 C ATOM 36 CD GLU A 72 5.469 -1.445 -3.502 1.00 0.00 C ATOM 37 OE1 GLU A 72 4.916 -0.577 -2.795 1.00 0.00 O ATOM 38 OE2 GLU A 72 5.575 -1.352 -4.743 1.00 0.00 O ATOM 0 H GLU A 72 8.864 -2.335 0.456 1.00 0.00 H new ATOM 0 HA GLU A 72 6.227 -3.369 -0.334 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.232 -1.283 -1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.150 -2.560 -2.489 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.339 -3.399 -3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.263 -3.145 -2.218 1.00 0.00 H new ATOM 45 N ILE A 73 7.464 -5.522 -0.272 1.00 0.00 N ATOM 46 CA ILE A 73 8.094 -6.832 -0.376 1.00 0.00 C ATOM 47 C ILE A 73 8.464 -7.151 -1.821 1.00 0.00 C ATOM 48 O ILE A 73 9.468 -7.813 -2.085 1.00 0.00 O ATOM 49 CB ILE A 73 7.175 -7.944 0.164 1.00 0.00 C ATOM 50 CG1 ILE A 73 6.734 -7.622 1.593 1.00 0.00 C ATOM 51 CG2 ILE A 73 7.885 -9.289 0.113 1.00 0.00 C ATOM 52 CD1 ILE A 73 7.887 -7.420 2.550 1.00 0.00 C ATOM 0 H ILE A 73 6.580 -5.519 0.236 1.00 0.00 H new ATOM 0 HA ILE A 73 9.000 -6.795 0.229 1.00 0.00 H new ATOM 0 HB ILE A 73 6.287 -8.000 -0.466 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.120 -6.721 1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.104 -8.432 1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.223 -10.065 0.498 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.154 -9.520 -0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.788 -9.247 0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.500 -7.195 3.544 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.489 -8.328 2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.505 -6.591 2.205 1.00 0.00 H new ATOM 64 N THR A 74 7.647 -6.673 -2.755 1.00 0.00 N ATOM 65 CA THR A 74 7.888 -6.906 -4.173 1.00 0.00 C ATOM 66 C THR A 74 9.234 -6.335 -4.603 1.00 0.00 C ATOM 67 O THR A 74 10.085 -7.053 -5.129 1.00 0.00 O ATOM 68 CB THR A 74 6.778 -6.284 -5.041 1.00 0.00 C ATOM 69 OG1 THR A 74 5.492 -6.654 -4.532 1.00 0.00 O ATOM 70 CG2 THR A 74 6.905 -6.736 -6.488 1.00 0.00 C ATOM 0 H THR A 74 6.812 -6.122 -2.554 1.00 0.00 H new ATOM 0 HA THR A 74 7.891 -7.986 -4.320 1.00 0.00 H new ATOM 0 HB THR A 74 6.884 -5.200 -5.005 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.792 -6.253 -5.089 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.110 -6.284 -7.081 1.00 0.00 H new ATOM 0 HG22 THR A 74 7.873 -6.427 -6.882 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.823 -7.822 -6.539 1.00 0.00 H new ATOM 78 N LEU A 75 9.422 -5.040 -4.375 1.00 0.00 N ATOM 79 CA LEU A 75 10.667 -4.372 -4.739 1.00 0.00 C ATOM 80 C LEU A 75 11.851 -4.989 -4.002 1.00 0.00 C ATOM 81 O LEU A 75 12.944 -5.113 -4.556 1.00 0.00 O ATOM 82 CB LEU A 75 10.578 -2.878 -4.423 1.00 0.00 C ATOM 83 CG LEU A 75 9.688 -2.048 -5.350 1.00 0.00 C ATOM 84 CD1 LEU A 75 9.140 -0.833 -4.617 1.00 0.00 C ATOM 85 CD2 LEU A 75 10.462 -1.621 -6.589 1.00 0.00 C ATOM 0 H LEU A 75 8.729 -4.432 -3.940 1.00 0.00 H new ATOM 0 HA LEU A 75 10.821 -4.502 -5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.212 -2.764 -3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.585 -2.461 -4.449 1.00 0.00 H new ATOM 0 HG LEU A 75 8.847 -2.666 -5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.509 -0.255 -5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.550 -1.160 -3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.967 -0.212 -4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.814 -1.032 -7.238 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.322 -1.020 -6.292 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.806 -2.505 -7.126 1.00 0.00 H new ATOM 97 N ILE A 76 11.626 -5.376 -2.751 1.00 0.00 N ATOM 98 CA ILE A 76 12.674 -5.984 -1.939 1.00 0.00 C ATOM 99 C ILE A 76 13.090 -7.338 -2.503 1.00 0.00 C ATOM 100 O ILE A 76 14.275 -7.671 -2.534 1.00 0.00 O ATOM 101 CB ILE A 76 12.221 -6.165 -0.479 1.00 0.00 C ATOM 102 CG1 ILE A 76 11.797 -4.821 0.117 1.00 0.00 C ATOM 103 CG2 ILE A 76 13.336 -6.789 0.348 1.00 0.00 C ATOM 104 CD1 ILE A 76 10.933 -4.953 1.352 1.00 0.00 C ATOM 0 H ILE A 76 10.728 -5.280 -2.277 1.00 0.00 H new ATOM 0 HA ILE A 76 13.527 -5.305 -1.964 1.00 0.00 H new ATOM 0 HB ILE A 76 11.362 -6.836 -0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.689 -4.246 0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.253 -4.253 -0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.001 -6.911 1.378 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.595 -7.763 -0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.212 -6.141 0.326 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.670 -3.961 1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.024 -5.500 1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 76 11.482 -5.493 2.124 1.00 0.00 H new ATOM 116 N ILE A 77 12.108 -8.114 -2.949 1.00 0.00 N ATOM 117 CA ILE A 77 12.372 -9.431 -3.514 1.00 0.00 C ATOM 118 C ILE A 77 13.151 -9.323 -4.820 1.00 0.00 C ATOM 119 O ILE A 77 14.246 -9.870 -4.951 1.00 0.00 O ATOM 120 CB ILE A 77 11.066 -10.206 -3.771 1.00 0.00 C ATOM 121 CG1 ILE A 77 10.385 -10.555 -2.446 1.00 0.00 C ATOM 122 CG2 ILE A 77 11.347 -11.466 -4.576 1.00 0.00 C ATOM 123 CD1 ILE A 77 8.885 -10.714 -2.560 1.00 0.00 C ATOM 0 H ILE A 77 11.122 -7.853 -2.930 1.00 0.00 H new ATOM 0 HA ILE A 77 12.969 -9.974 -2.781 1.00 0.00 H new ATOM 0 HB ILE A 77 10.393 -9.572 -4.348 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.812 -11.481 -2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.605 -9.775 -1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.414 -12.003 -4.749 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.793 -11.195 -5.533 1.00 0.00 H new ATOM 0 HG23 ILE A 77 12.036 -12.105 -4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.470 -10.961 -1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.446 -9.782 -2.916 1.00 0.00 H new ATOM 0 HD13 ILE A 77 8.656 -11.514 -3.264 1.00 0.00 H new ATOM 135 N PHE A 78 12.579 -8.610 -5.786 1.00 0.00 N ATOM 136 CA PHE A 78 13.220 -8.428 -7.083 1.00 0.00 C ATOM 137 C PHE A 78 14.574 -7.742 -6.929 1.00 0.00 C ATOM 138 O PHE A 78 15.494 -7.978 -7.711 1.00 0.00 O ATOM 139 CB PHE A 78 12.321 -7.606 -8.009 1.00 0.00 C ATOM 140 CG PHE A 78 12.989 -7.205 -9.293 1.00 0.00 C ATOM 141 CD1 PHE A 78 13.719 -6.030 -9.372 1.00 0.00 C ATOM 142 CD2 PHE A 78 12.888 -8.004 -10.421 1.00 0.00 C ATOM 143 CE1 PHE A 78 14.334 -5.659 -10.552 1.00 0.00 C ATOM 144 CE2 PHE A 78 13.502 -7.638 -11.604 1.00 0.00 C ATOM 145 CZ PHE A 78 14.226 -6.464 -11.669 1.00 0.00 C ATOM 0 H PHE A 78 11.674 -8.149 -5.695 1.00 0.00 H new ATOM 0 HA PHE A 78 13.379 -9.412 -7.523 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.426 -8.184 -8.240 1.00 0.00 H new ATOM 0 HB3 PHE A 78 11.995 -6.709 -7.483 1.00 0.00 H new ATOM 0 HD1 PHE A 78 13.808 -5.397 -8.501 1.00 0.00 H new ATOM 0 HD2 PHE A 78 12.323 -8.923 -10.375 1.00 0.00 H new ATOM 0 HE1 PHE A 78 14.899 -4.740 -10.601 1.00 0.00 H new ATOM 0 HE2 PHE A 78 13.416 -8.269 -12.476 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.707 -6.176 -12.592 1.00 0.00 H new ATOM 155 N GLY A 79 14.687 -6.889 -5.915 1.00 0.00 N ATOM 156 CA GLY A 79 15.930 -6.180 -5.677 1.00 0.00 C ATOM 157 C GLY A 79 17.042 -7.100 -5.213 1.00 0.00 C ATOM 158 O GLY A 79 18.044 -7.273 -5.907 1.00 0.00 O ATOM 0 H GLY A 79 13.939 -6.677 -5.254 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.238 -5.676 -6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.766 -5.406 -4.927 1.00 0.00 H new ATOM 162 N VAL A 80 16.867 -7.690 -4.035 1.00 0.00 N ATOM 163 CA VAL A 80 17.864 -8.597 -3.479 1.00 0.00 C ATOM 164 C VAL A 80 18.162 -9.743 -4.439 1.00 0.00 C ATOM 165 O VAL A 80 19.298 -10.205 -4.536 1.00 0.00 O ATOM 166 CB VAL A 80 17.401 -9.180 -2.130 1.00 0.00 C ATOM 167 CG1 VAL A 80 18.449 -10.131 -1.572 1.00 0.00 C ATOM 168 CG2 VAL A 80 17.103 -8.063 -1.141 1.00 0.00 C ATOM 0 H VAL A 80 16.044 -7.556 -3.447 1.00 0.00 H new ATOM 0 HA VAL A 80 18.771 -8.013 -3.323 1.00 0.00 H new ATOM 0 HB VAL A 80 16.483 -9.744 -2.294 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.105 -10.533 -0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.609 -10.949 -2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.385 -9.593 -1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.777 -8.493 -0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 80 18.003 -7.470 -0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 80 16.315 -7.425 -1.540 1.00 0.00 H new ATOM 178 N MET A 81 17.133 -10.196 -5.149 1.00 0.00 N ATOM 179 CA MET A 81 17.286 -11.287 -6.104 1.00 0.00 C ATOM 180 C MET A 81 18.189 -10.873 -7.262 1.00 0.00 C ATOM 181 O MET A 81 19.097 -11.609 -7.647 1.00 0.00 O ATOM 182 CB MET A 81 15.919 -11.721 -6.638 1.00 0.00 C ATOM 183 CG MET A 81 15.149 -12.615 -5.679 1.00 0.00 C ATOM 184 SD MET A 81 15.807 -14.292 -5.614 1.00 0.00 S ATOM 185 CE MET A 81 14.587 -15.094 -4.576 1.00 0.00 C ATOM 0 H MET A 81 16.186 -9.825 -5.081 1.00 0.00 H new ATOM 0 HA MET A 81 17.750 -12.127 -5.587 1.00 0.00 H new ATOM 0 HB2 MET A 81 15.323 -10.834 -6.853 1.00 0.00 H new ATOM 0 HB3 MET A 81 16.057 -12.248 -7.582 1.00 0.00 H new ATOM 0 HG2 MET A 81 15.177 -12.179 -4.680 1.00 0.00 H new ATOM 0 HG3 MET A 81 14.103 -12.651 -5.982 1.00 0.00 H new ATOM 0 HE1 MET A 81 14.856 -16.142 -4.442 1.00 0.00 H new ATOM 0 HE2 MET A 81 14.555 -14.600 -3.605 1.00 0.00 H new ATOM 0 HE3 MET A 81 13.607 -15.028 -5.049 1.00 0.00 H new ATOM 195 N ALA A 82 17.932 -9.691 -7.814 1.00 0.00 N ATOM 196 CA ALA A 82 18.723 -9.180 -8.926 1.00 0.00 C ATOM 197 C ALA A 82 20.178 -8.975 -8.518 1.00 0.00 C ATOM 198 O ALA A 82 21.094 -9.244 -9.293 1.00 0.00 O ATOM 199 CB ALA A 82 18.129 -7.877 -9.441 1.00 0.00 C ATOM 0 H ALA A 82 17.182 -9.070 -7.509 1.00 0.00 H new ATOM 0 HA ALA A 82 18.699 -9.920 -9.726 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.730 -7.506 -10.272 1.00 0.00 H new ATOM 0 HB2 ALA A 82 17.108 -8.052 -9.781 1.00 0.00 H new ATOM 0 HB3 ALA A 82 18.123 -7.138 -8.640 1.00 0.00 H new ATOM 205 N GLY A 83 20.382 -8.497 -7.294 1.00 0.00 N ATOM 206 CA GLY A 83 21.729 -8.264 -6.805 1.00 0.00 C ATOM 207 C GLY A 83 22.459 -9.552 -6.480 1.00 0.00 C ATOM 208 O GLY A 83 23.536 -9.814 -7.015 1.00 0.00 O ATOM 0 H GLY A 83 19.640 -8.267 -6.633 1.00 0.00 H new ATOM 0 HA2 GLY A 83 22.293 -7.709 -7.555 1.00 0.00 H new ATOM 0 HA3 GLY A 83 21.685 -7.640 -5.913 1.00 0.00 H new ATOM 212 N VAL A 84 21.873 -10.357 -5.600 1.00 0.00 N ATOM 213 CA VAL A 84 22.475 -11.625 -5.205 1.00 0.00 C ATOM 214 C VAL A 84 22.771 -12.496 -6.421 1.00 0.00 C ATOM 215 O VAL A 84 23.878 -13.015 -6.570 1.00 0.00 O ATOM 216 CB VAL A 84 21.562 -12.403 -4.240 1.00 0.00 C ATOM 217 CG1 VAL A 84 22.173 -13.754 -3.899 1.00 0.00 C ATOM 218 CG2 VAL A 84 21.304 -11.592 -2.979 1.00 0.00 C ATOM 0 H VAL A 84 20.982 -10.154 -5.147 1.00 0.00 H new ATOM 0 HA VAL A 84 23.409 -11.387 -4.697 1.00 0.00 H new ATOM 0 HB VAL A 84 20.606 -12.577 -4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.514 -14.290 -3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 84 22.301 -14.336 -4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 84 23.143 -13.605 -3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.657 -12.158 -2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 84 22.251 -11.384 -2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.819 -10.652 -3.244 1.00 0.00 H new ATOM 228 N ILE A 85 21.775 -12.651 -7.287 1.00 0.00 N ATOM 229 CA ILE A 85 21.930 -13.457 -8.491 1.00 0.00 C ATOM 230 C ILE A 85 22.990 -12.869 -9.415 1.00 0.00 C ATOM 231 O ILE A 85 23.887 -13.573 -9.877 1.00 0.00 O ATOM 232 CB ILE A 85 20.602 -13.577 -9.263 1.00 0.00 C ATOM 233 CG1 ILE A 85 19.572 -14.347 -8.433 1.00 0.00 C ATOM 234 CG2 ILE A 85 20.828 -14.260 -10.603 1.00 0.00 C ATOM 235 CD1 ILE A 85 19.952 -15.790 -8.187 1.00 0.00 C ATOM 0 H ILE A 85 20.853 -12.229 -7.177 1.00 0.00 H new ATOM 0 HA ILE A 85 22.244 -14.449 -8.167 1.00 0.00 H new ATOM 0 HB ILE A 85 20.215 -12.575 -9.449 1.00 0.00 H new ATOM 0 HG12 ILE A 85 19.442 -13.845 -7.474 1.00 0.00 H new ATOM 0 HG13 ILE A 85 18.609 -14.315 -8.943 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.881 -14.337 -11.136 1.00 0.00 H new ATOM 0 HG22 ILE A 85 21.531 -13.675 -11.196 1.00 0.00 H new ATOM 0 HG23 ILE A 85 21.234 -15.258 -10.439 1.00 0.00 H new ATOM 0 HD11 ILE A 85 19.177 -16.274 -7.593 1.00 0.00 H new ATOM 0 HD12 ILE A 85 20.054 -16.307 -9.141 1.00 0.00 H new ATOM 0 HD13 ILE A 85 20.899 -15.830 -7.649 1.00 0.00 H new ATOM 247 N GLY A 86 22.883 -11.570 -9.679 1.00 0.00 N ATOM 248 CA GLY A 86 23.840 -10.907 -10.546 1.00 0.00 C ATOM 249 C GLY A 86 25.259 -10.999 -10.019 1.00 0.00 C ATOM 250 O GLY A 86 26.210 -11.111 -10.793 1.00 0.00 O ATOM 0 H GLY A 86 22.151 -10.965 -9.308 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.795 -11.352 -11.540 1.00 0.00 H new ATOM 0 HA3 GLY A 86 23.563 -9.858 -10.654 1.00 0.00 H new ATOM 254 N THR A 87 25.403 -10.950 -8.699 1.00 0.00 N ATOM 255 CA THR A 87 26.715 -11.026 -8.070 1.00 0.00 C ATOM 256 C THR A 87 27.325 -12.413 -8.235 1.00 0.00 C ATOM 257 O THR A 87 28.408 -12.562 -8.802 1.00 0.00 O ATOM 258 CB THR A 87 26.639 -10.686 -6.569 1.00 0.00 C ATOM 259 OG1 THR A 87 26.119 -9.364 -6.392 1.00 0.00 O ATOM 260 CG2 THR A 87 28.012 -10.788 -5.921 1.00 0.00 C ATOM 0 H THR A 87 24.626 -10.858 -8.044 1.00 0.00 H new ATOM 0 HA THR A 87 27.348 -10.292 -8.570 1.00 0.00 H new ATOM 0 HB THR A 87 25.974 -11.404 -6.089 1.00 0.00 H new ATOM 0 HG1 THR A 87 25.228 -9.306 -6.796 1.00 0.00 H new ATOM 0 HG21 THR A 87 27.933 -10.544 -4.862 1.00 0.00 H new ATOM 0 HG22 THR A 87 28.392 -11.804 -6.032 1.00 0.00 H new ATOM 0 HG23 THR A 87 28.695 -10.090 -6.405 1.00 0.00 H new ATOM 268 N ILE A 88 26.623 -13.426 -7.737 1.00 0.00 N ATOM 269 CA ILE A 88 27.096 -14.802 -7.831 1.00 0.00 C ATOM 270 C ILE A 88 27.352 -15.196 -9.282 1.00 0.00 C ATOM 271 O ILE A 88 28.308 -15.912 -9.582 1.00 0.00 O ATOM 272 CB ILE A 88 26.087 -15.787 -7.213 1.00 0.00 C ATOM 273 CG1 ILE A 88 25.834 -15.438 -5.745 1.00 0.00 C ATOM 274 CG2 ILE A 88 26.594 -17.216 -7.344 1.00 0.00 C ATOM 275 CD1 ILE A 88 24.824 -16.343 -5.075 1.00 0.00 C ATOM 0 H ILE A 88 25.725 -13.320 -7.265 1.00 0.00 H new ATOM 0 HA ILE A 88 28.030 -14.854 -7.272 1.00 0.00 H new ATOM 0 HB ILE A 88 25.144 -15.706 -7.754 1.00 0.00 H new ATOM 0 HG12 ILE A 88 26.776 -15.492 -5.199 1.00 0.00 H new ATOM 0 HG13 ILE A 88 25.486 -14.407 -5.680 1.00 0.00 H new ATOM 0 HG21 ILE A 88 25.870 -17.901 -6.903 1.00 0.00 H new ATOM 0 HG22 ILE A 88 26.728 -17.459 -8.398 1.00 0.00 H new ATOM 0 HG23 ILE A 88 27.548 -17.313 -6.825 1.00 0.00 H new ATOM 0 HD11 ILE A 88 24.694 -16.038 -4.037 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.869 -16.272 -5.596 1.00 0.00 H new ATOM 0 HD13 ILE A 88 25.180 -17.373 -5.109 1.00 0.00 H new ATOM 287 N LEU A 89 26.493 -14.724 -10.178 1.00 0.00 N ATOM 288 CA LEU A 89 26.627 -15.025 -11.599 1.00 0.00 C ATOM 289 C LEU A 89 27.904 -14.414 -12.168 1.00 0.00 C ATOM 290 O LEU A 89 28.720 -15.108 -12.775 1.00 0.00 O ATOM 291 CB LEU A 89 25.412 -14.503 -12.368 1.00 0.00 C ATOM 292 CG LEU A 89 24.150 -15.364 -12.294 1.00 0.00 C ATOM 293 CD1 LEU A 89 22.991 -14.674 -12.996 1.00 0.00 C ATOM 294 CD2 LEU A 89 24.404 -16.736 -12.902 1.00 0.00 C ATOM 0 H LEU A 89 25.696 -14.131 -9.946 1.00 0.00 H new ATOM 0 HA LEU A 89 26.683 -16.108 -11.712 1.00 0.00 H new ATOM 0 HB2 LEU A 89 25.171 -13.508 -11.995 1.00 0.00 H new ATOM 0 HB3 LEU A 89 25.691 -14.392 -13.416 1.00 0.00 H new ATOM 0 HG LEU A 89 23.885 -15.497 -11.245 1.00 0.00 H new ATOM 0 HD11 LEU A 89 22.102 -15.301 -12.933 1.00 0.00 H new ATOM 0 HD12 LEU A 89 22.793 -13.716 -12.516 1.00 0.00 H new ATOM 0 HD13 LEU A 89 23.246 -14.510 -14.043 1.00 0.00 H new ATOM 0 HD21 LEU A 89 23.495 -17.335 -12.841 1.00 0.00 H new ATOM 0 HD22 LEU A 89 24.694 -16.623 -13.947 1.00 0.00 H new ATOM 0 HD23 LEU A 89 25.204 -17.234 -12.355 1.00 0.00 H new ATOM 306 N LEU A 90 28.071 -13.112 -11.965 1.00 0.00 N ATOM 307 CA LEU A 90 29.250 -12.407 -12.456 1.00 0.00 C ATOM 308 C LEU A 90 30.529 -13.071 -11.955 1.00 0.00 C ATOM 309 O LEU A 90 31.442 -13.348 -12.734 1.00 0.00 O ATOM 310 CB LEU A 90 29.215 -10.943 -12.012 1.00 0.00 C ATOM 311 CG LEU A 90 29.890 -9.942 -12.949 1.00 0.00 C ATOM 312 CD1 LEU A 90 31.385 -10.211 -13.031 1.00 0.00 C ATOM 313 CD2 LEU A 90 29.260 -9.997 -14.333 1.00 0.00 C ATOM 0 H LEU A 90 27.405 -12.523 -11.464 1.00 0.00 H new ATOM 0 HA LEU A 90 29.242 -12.451 -13.545 1.00 0.00 H new ATOM 0 HB2 LEU A 90 28.174 -10.647 -11.886 1.00 0.00 H new ATOM 0 HB3 LEU A 90 29.688 -10.870 -11.033 1.00 0.00 H new ATOM 0 HG LEU A 90 29.743 -8.940 -12.545 1.00 0.00 H new ATOM 0 HD11 LEU A 90 31.848 -9.488 -13.703 1.00 0.00 H new ATOM 0 HD12 LEU A 90 31.826 -10.119 -12.039 1.00 0.00 H new ATOM 0 HD13 LEU A 90 31.553 -11.219 -13.411 1.00 0.00 H new ATOM 0 HD21 LEU A 90 29.754 -9.277 -14.986 1.00 0.00 H new ATOM 0 HD22 LEU A 90 29.374 -11.000 -14.745 1.00 0.00 H new ATOM 0 HD23 LEU A 90 28.200 -9.753 -14.260 1.00 0.00 H new ATOM 325 N ILE A 91 30.587 -13.326 -10.653 1.00 0.00 N ATOM 326 CA ILE A 91 31.752 -13.960 -10.050 1.00 0.00 C ATOM 327 C ILE A 91 31.938 -15.380 -10.574 1.00 0.00 C ATOM 328 O ILE A 91 32.990 -15.720 -11.116 1.00 0.00 O ATOM 329 CB ILE A 91 31.639 -14.003 -8.514 1.00 0.00 C ATOM 330 CG1 ILE A 91 31.500 -12.587 -7.952 1.00 0.00 C ATOM 331 CG2 ILE A 91 32.849 -14.701 -7.913 1.00 0.00 C ATOM 332 CD1 ILE A 91 31.373 -12.545 -6.445 1.00 0.00 C ATOM 0 H ILE A 91 29.840 -13.103 -9.995 1.00 0.00 H new ATOM 0 HA ILE A 91 32.617 -13.357 -10.326 1.00 0.00 H new ATOM 0 HB ILE A 91 30.747 -14.570 -8.246 1.00 0.00 H new ATOM 0 HG12 ILE A 91 32.367 -11.999 -8.252 1.00 0.00 H new ATOM 0 HG13 ILE A 91 30.625 -12.113 -8.396 1.00 0.00 H new ATOM 0 HG21 ILE A 91 32.754 -14.723 -6.827 1.00 0.00 H new ATOM 0 HG22 ILE A 91 32.907 -15.721 -8.293 1.00 0.00 H new ATOM 0 HG23 ILE A 91 33.755 -14.160 -8.187 1.00 0.00 H new ATOM 0 HD11 ILE A 91 31.278 -11.510 -6.117 1.00 0.00 H new ATOM 0 HD12 ILE A 91 30.490 -13.105 -6.139 1.00 0.00 H new ATOM 0 HD13 ILE A 91 32.260 -12.989 -5.993 1.00 0.00 H new ATOM 344 N SER A 92 30.909 -16.205 -10.410 1.00 0.00 N ATOM 345 CA SER A 92 30.959 -17.589 -10.865 1.00 0.00 C ATOM 346 C SER A 92 31.311 -17.661 -12.348 1.00 0.00 C ATOM 347 O SER A 92 31.841 -18.666 -12.824 1.00 0.00 O ATOM 348 CB SER A 92 29.616 -18.280 -10.615 1.00 0.00 C ATOM 349 OG SER A 92 28.637 -17.842 -11.541 1.00 0.00 O ATOM 0 H SER A 92 30.030 -15.939 -9.965 1.00 0.00 H new ATOM 0 HA SER A 92 31.736 -18.103 -10.299 1.00 0.00 H new ATOM 0 HB2 SER A 92 29.739 -19.360 -10.695 1.00 0.00 H new ATOM 0 HB3 SER A 92 29.280 -18.071 -9.599 1.00 0.00 H new ATOM 0 HG SER A 92 28.804 -16.905 -11.775 1.00 0.00 H new ATOM 355 N TYR A 93 31.013 -16.589 -13.073 1.00 0.00 N ATOM 356 CA TYR A 93 31.296 -16.530 -14.502 1.00 0.00 C ATOM 357 C TYR A 93 32.797 -16.427 -14.757 1.00 0.00 C ATOM 358 O TYR A 93 33.362 -17.202 -15.528 1.00 0.00 O ATOM 359 CB TYR A 93 30.577 -15.339 -15.137 1.00 0.00 C ATOM 360 CG TYR A 93 30.719 -15.277 -16.641 1.00 0.00 C ATOM 361 CD1 TYR A 93 31.792 -14.618 -17.230 1.00 0.00 C ATOM 362 CD2 TYR A 93 29.782 -15.875 -17.473 1.00 0.00 C ATOM 363 CE1 TYR A 93 31.926 -14.558 -18.604 1.00 0.00 C ATOM 364 CE2 TYR A 93 29.909 -15.822 -18.848 1.00 0.00 C ATOM 365 CZ TYR A 93 30.982 -15.162 -19.408 1.00 0.00 C ATOM 366 OH TYR A 93 31.111 -15.104 -20.777 1.00 0.00 O ATOM 0 H TYR A 93 30.575 -15.749 -12.695 1.00 0.00 H new ATOM 0 HA TYR A 93 30.931 -17.451 -14.957 1.00 0.00 H new ATOM 0 HB2 TYR A 93 29.518 -15.387 -14.882 1.00 0.00 H new ATOM 0 HB3 TYR A 93 30.968 -14.417 -14.705 1.00 0.00 H new ATOM 0 HD1 TYR A 93 32.533 -14.145 -16.603 1.00 0.00 H new ATOM 0 HD2 TYR A 93 28.939 -16.391 -17.038 1.00 0.00 H new ATOM 0 HE1 TYR A 93 32.765 -14.041 -19.046 1.00 0.00 H new ATOM 0 HE2 TYR A 93 29.172 -16.295 -19.480 1.00 0.00 H new ATOM 0 HH TYR A 93 30.364 -15.580 -21.196 1.00 0.00 H new ATOM 376 N GLY A 94 33.437 -15.463 -14.102 1.00 0.00 N ATOM 377 CA GLY A 94 34.866 -15.275 -14.269 1.00 0.00 C ATOM 378 C GLY A 94 35.660 -16.514 -13.905 1.00 0.00 C ATOM 379 O GLY A 94 36.627 -16.861 -14.584 1.00 0.00 O ATOM 0 H GLY A 94 32.991 -14.809 -13.459 1.00 0.00 H new ATOM 0 HA2 GLY A 94 35.075 -15.004 -15.304 1.00 0.00 H new ATOM 0 HA3 GLY A 94 35.195 -14.441 -13.649 1.00 0.00 H new ATOM 383 N ILE A 95 35.253 -17.182 -12.831 1.00 0.00 N ATOM 384 CA ILE A 95 35.934 -18.388 -12.379 1.00 0.00 C ATOM 385 C ILE A 95 35.598 -19.577 -13.273 1.00 0.00 C ATOM 386 O ILE A 95 36.341 -20.558 -13.324 1.00 0.00 O ATOM 387 CB ILE A 95 35.562 -18.733 -10.924 1.00 0.00 C ATOM 388 CG1 ILE A 95 36.229 -17.751 -9.958 1.00 0.00 C ATOM 389 CG2 ILE A 95 35.968 -20.162 -10.598 1.00 0.00 C ATOM 390 CD1 ILE A 95 35.279 -17.174 -8.932 1.00 0.00 C ATOM 0 H ILE A 95 34.455 -16.908 -12.258 1.00 0.00 H new ATOM 0 HA ILE A 95 37.004 -18.186 -12.434 1.00 0.00 H new ATOM 0 HB ILE A 95 34.481 -18.648 -10.811 1.00 0.00 H new ATOM 0 HG12 ILE A 95 37.044 -18.258 -9.442 1.00 0.00 H new ATOM 0 HG13 ILE A 95 36.672 -16.936 -10.530 1.00 0.00 H new ATOM 0 HG21 ILE A 95 35.699 -20.391 -9.567 1.00 0.00 H new ATOM 0 HG22 ILE A 95 35.452 -20.849 -11.269 1.00 0.00 H new ATOM 0 HG23 ILE A 95 37.045 -20.272 -10.725 1.00 0.00 H new ATOM 0 HD11 ILE A 95 35.820 -16.487 -8.281 1.00 0.00 H new ATOM 0 HD12 ILE A 95 34.477 -16.638 -9.440 1.00 0.00 H new ATOM 0 HD13 ILE A 95 34.855 -17.981 -8.335 1.00 0.00 H new ATOM 402 N ARG A 96 34.475 -19.482 -13.977 1.00 0.00 N ATOM 403 CA ARG A 96 34.041 -20.550 -14.870 1.00 0.00 C ATOM 404 C ARG A 96 35.029 -20.734 -16.018 1.00 0.00 C ATOM 405 O ARG A 96 34.997 -21.744 -16.721 1.00 0.00 O ATOM 406 CB ARG A 96 32.648 -20.245 -15.425 1.00 0.00 C ATOM 407 CG ARG A 96 31.616 -21.312 -15.101 1.00 0.00 C ATOM 408 CD ARG A 96 32.073 -22.687 -15.563 1.00 0.00 C ATOM 409 NE ARG A 96 32.457 -22.691 -16.972 1.00 0.00 N ATOM 410 CZ ARG A 96 32.477 -23.786 -17.725 1.00 0.00 C ATOM 411 NH1 ARG A 96 32.137 -24.957 -17.207 1.00 0.00 N ATOM 412 NH2 ARG A 96 32.838 -23.709 -19.000 1.00 0.00 N ATOM 0 H ARG A 96 33.849 -18.677 -13.946 1.00 0.00 H new ATOM 0 HA ARG A 96 34.001 -21.476 -14.296 1.00 0.00 H new ATOM 0 HB2 ARG A 96 32.308 -19.290 -15.025 1.00 0.00 H new ATOM 0 HB3 ARG A 96 32.714 -20.132 -16.507 1.00 0.00 H new ATOM 0 HG2 ARG A 96 31.434 -21.330 -14.026 1.00 0.00 H new ATOM 0 HG3 ARG A 96 30.669 -21.062 -15.580 1.00 0.00 H new ATOM 0 HD2 ARG A 96 32.918 -23.011 -14.956 1.00 0.00 H new ATOM 0 HD3 ARG A 96 31.271 -23.408 -15.404 1.00 0.00 H new ATOM 0 HE ARG A 96 32.724 -21.805 -17.402 1.00 0.00 H new ATOM 0 HH11 ARG A 96 31.859 -25.020 -16.228 1.00 0.00 H new ATOM 0 HH12 ARG A 96 32.153 -25.796 -17.788 1.00 0.00 H new ATOM 0 HH21 ARG A 96 33.100 -22.809 -19.402 1.00 0.00 H new ATOM 0 HH22 ARG A 96 32.853 -24.550 -19.577 1.00 0.00 H new ATOM 426 N ARG A 97 35.904 -19.751 -16.202 1.00 0.00 N ATOM 427 CA ARG A 97 36.899 -19.803 -17.266 1.00 0.00 C ATOM 428 C ARG A 97 38.212 -19.171 -16.813 1.00 0.00 C ATOM 429 O ARG A 97 39.213 -19.862 -16.620 1.00 0.00 O ATOM 430 CB ARG A 97 36.380 -19.088 -18.515 1.00 0.00 C ATOM 431 CG ARG A 97 37.043 -19.552 -19.802 1.00 0.00 C ATOM 432 CD ARG A 97 36.119 -19.380 -20.997 1.00 0.00 C ATOM 433 NE ARG A 97 34.928 -20.218 -20.894 1.00 0.00 N ATOM 434 CZ ARG A 97 33.913 -20.161 -21.749 1.00 0.00 C ATOM 435 NH1 ARG A 97 33.945 -19.311 -22.766 1.00 0.00 N ATOM 436 NH2 ARG A 97 32.864 -20.957 -21.589 1.00 0.00 N ATOM 0 H ARG A 97 35.944 -18.909 -15.628 1.00 0.00 H new ATOM 0 HA ARG A 97 37.083 -20.850 -17.506 1.00 0.00 H new ATOM 0 HB2 ARG A 97 35.304 -19.246 -18.593 1.00 0.00 H new ATOM 0 HB3 ARG A 97 36.538 -18.015 -18.401 1.00 0.00 H new ATOM 0 HG2 ARG A 97 37.960 -18.986 -19.965 1.00 0.00 H new ATOM 0 HG3 ARG A 97 37.328 -20.600 -19.709 1.00 0.00 H new ATOM 0 HD2 ARG A 97 35.821 -18.335 -21.077 1.00 0.00 H new ATOM 0 HD3 ARG A 97 36.659 -19.628 -21.911 1.00 0.00 H new ATOM 0 HE ARG A 97 34.872 -20.884 -20.123 1.00 0.00 H new ATOM 0 HH11 ARG A 97 34.751 -18.698 -22.894 1.00 0.00 H new ATOM 0 HH12 ARG A 97 33.164 -19.270 -23.421 1.00 0.00 H new ATOM 0 HH21 ARG A 97 32.836 -21.614 -20.809 1.00 0.00 H new ATOM 0 HH22 ARG A 97 32.085 -20.912 -22.246 1.00 0.00 H new ATOM 450 N LEU A 98 38.202 -17.853 -16.646 1.00 0.00 N ATOM 451 CA LEU A 98 39.391 -17.126 -16.217 1.00 0.00 C ATOM 452 C LEU A 98 39.011 -15.838 -15.494 1.00 0.00 C ATOM 453 O LEU A 98 39.865 -15.240 -14.841 1.00 0.00 O ATOM 454 CB LEU A 98 40.280 -16.806 -17.420 1.00 0.00 C ATOM 455 CG LEU A 98 39.699 -17.148 -18.793 1.00 0.00 C ATOM 456 CD1 LEU A 98 38.555 -16.208 -19.138 1.00 0.00 C ATOM 457 CD2 LEU A 98 40.782 -17.087 -19.860 1.00 0.00 C ATOM 0 H LEU A 98 37.383 -17.266 -16.801 1.00 0.00 H new ATOM 0 HA LEU A 98 39.943 -17.760 -15.524 1.00 0.00 H new ATOM 0 HB2 LEU A 98 40.513 -15.741 -17.401 1.00 0.00 H new ATOM 0 HB3 LEU A 98 41.222 -17.341 -17.303 1.00 0.00 H new ATOM 0 HG LEU A 98 39.308 -18.165 -18.758 1.00 0.00 H new ATOM 0 HD11 LEU A 98 38.154 -16.467 -20.118 1.00 0.00 H new ATOM 0 HD12 LEU A 98 37.769 -16.301 -18.389 1.00 0.00 H new ATOM 0 HD13 LEU A 98 38.920 -15.181 -19.155 1.00 0.00 H new ATOM 0 HD21 LEU A 98 40.351 -17.333 -20.830 1.00 0.00 H new ATOM 0 HD22 LEU A 98 41.203 -16.082 -19.894 1.00 0.00 H new ATOM 0 HD23 LEU A 98 41.569 -17.802 -19.621 1.00 0.00 H new TER 469 LEU A 98 ATOM 470 N GLU B 70 6.217 7.823 -3.640 1.00 0.00 N ATOM 471 CA GLU B 70 6.462 6.489 -4.176 1.00 0.00 C ATOM 472 C GLU B 70 7.814 5.956 -3.712 1.00 0.00 C ATOM 473 O GLU B 70 8.776 5.880 -4.476 1.00 0.00 O ATOM 474 CB GLU B 70 6.408 6.512 -5.705 1.00 0.00 C ATOM 475 CG GLU B 70 7.233 7.627 -6.326 1.00 0.00 C ATOM 476 CD GLU B 70 7.954 7.186 -7.586 1.00 0.00 C ATOM 477 OE1 GLU B 70 7.277 6.701 -8.517 1.00 0.00 O ATOM 478 OE2 GLU B 70 9.193 7.327 -7.641 1.00 0.00 O ATOM 0 HA GLU B 70 5.682 5.826 -3.802 1.00 0.00 H new ATOM 0 HB2 GLU B 70 6.761 5.554 -6.087 1.00 0.00 H new ATOM 0 HB3 GLU B 70 5.371 6.619 -6.022 1.00 0.00 H new ATOM 0 HG2 GLU B 70 6.582 8.469 -6.560 1.00 0.00 H new ATOM 0 HG3 GLU B 70 7.963 7.982 -5.599 1.00 0.00 H new ATOM 485 N PRO B 71 7.890 5.576 -2.427 1.00 0.00 N ATOM 486 CA PRO B 71 9.119 5.043 -1.831 1.00 0.00 C ATOM 487 C PRO B 71 9.467 3.657 -2.363 1.00 0.00 C ATOM 488 O PRO B 71 9.167 2.646 -1.729 1.00 0.00 O ATOM 489 CB PRO B 71 8.788 4.976 -0.338 1.00 0.00 C ATOM 490 CG PRO B 71 7.304 4.858 -0.284 1.00 0.00 C ATOM 491 CD PRO B 71 6.783 5.639 -1.458 1.00 0.00 C ATOM 0 HA PRO B 71 9.986 5.661 -2.062 1.00 0.00 H new ATOM 0 HB2 PRO B 71 9.271 4.122 0.137 1.00 0.00 H new ATOM 0 HB3 PRO B 71 9.134 5.868 0.185 1.00 0.00 H new ATOM 0 HG2 PRO B 71 6.993 3.815 -0.341 1.00 0.00 H new ATOM 0 HG3 PRO B 71 6.915 5.256 0.653 1.00 0.00 H new ATOM 0 HD2 PRO B 71 5.871 5.199 -1.861 1.00 0.00 H new ATOM 0 HD3 PRO B 71 6.547 6.667 -1.184 1.00 0.00 H new ATOM 499 N GLU B 72 10.102 3.618 -3.530 1.00 0.00 N ATOM 500 CA GLU B 72 10.491 2.355 -4.146 1.00 0.00 C ATOM 501 C GLU B 72 12.009 2.241 -4.242 1.00 0.00 C ATOM 502 O GLU B 72 12.591 1.227 -3.857 1.00 0.00 O ATOM 503 CB GLU B 72 9.869 2.229 -5.539 1.00 0.00 C ATOM 504 CG GLU B 72 8.364 2.433 -5.554 1.00 0.00 C ATOM 505 CD GLU B 72 7.773 2.312 -6.946 1.00 0.00 C ATOM 506 OE1 GLU B 72 7.684 1.175 -7.455 1.00 0.00 O ATOM 507 OE2 GLU B 72 7.400 3.354 -7.525 1.00 0.00 O ATOM 0 H GLU B 72 10.358 4.446 -4.068 1.00 0.00 H new ATOM 0 HA GLU B 72 10.123 1.545 -3.517 1.00 0.00 H new ATOM 0 HB2 GLU B 72 10.333 2.959 -6.202 1.00 0.00 H new ATOM 0 HB3 GLU B 72 10.097 1.242 -5.942 1.00 0.00 H new ATOM 0 HG2 GLU B 72 7.895 1.699 -4.899 1.00 0.00 H new ATOM 0 HG3 GLU B 72 8.130 3.417 -5.148 1.00 0.00 H new ATOM 514 N ILE B 73 12.644 3.287 -4.759 1.00 0.00 N ATOM 515 CA ILE B 73 14.094 3.305 -4.906 1.00 0.00 C ATOM 516 C ILE B 73 14.783 2.933 -3.597 1.00 0.00 C ATOM 517 O ILE B 73 15.873 2.360 -3.597 1.00 0.00 O ATOM 518 CB ILE B 73 14.597 4.687 -5.363 1.00 0.00 C ATOM 519 CG1 ILE B 73 13.916 5.094 -6.672 1.00 0.00 C ATOM 520 CG2 ILE B 73 16.109 4.672 -5.529 1.00 0.00 C ATOM 521 CD1 ILE B 73 13.177 6.410 -6.585 1.00 0.00 C ATOM 0 H ILE B 73 12.177 4.134 -5.083 1.00 0.00 H new ATOM 0 HA ILE B 73 14.343 2.567 -5.668 1.00 0.00 H new ATOM 0 HB ILE B 73 14.342 5.421 -4.599 1.00 0.00 H new ATOM 0 HG12 ILE B 73 14.668 5.160 -7.458 1.00 0.00 H new ATOM 0 HG13 ILE B 73 13.216 4.312 -6.966 1.00 0.00 H new ATOM 0 HG21 ILE B 73 16.449 5.656 -5.852 1.00 0.00 H new ATOM 0 HG22 ILE B 73 16.577 4.421 -4.577 1.00 0.00 H new ATOM 0 HG23 ILE B 73 16.386 3.929 -6.277 1.00 0.00 H new ATOM 0 HD11 ILE B 73 12.719 6.635 -7.548 1.00 0.00 H new ATOM 0 HD12 ILE B 73 12.402 6.342 -5.822 1.00 0.00 H new ATOM 0 HD13 ILE B 73 13.877 7.203 -6.322 1.00 0.00 H new ATOM 533 N THR B 74 14.139 3.262 -2.482 1.00 0.00 N ATOM 534 CA THR B 74 14.689 2.962 -1.166 1.00 0.00 C ATOM 535 C THR B 74 14.797 1.458 -0.944 1.00 0.00 C ATOM 536 O THR B 74 15.849 0.951 -0.551 1.00 0.00 O ATOM 537 CB THR B 74 13.828 3.574 -0.044 1.00 0.00 C ATOM 538 OG1 THR B 74 13.582 4.958 -0.316 1.00 0.00 O ATOM 539 CG2 THR B 74 14.516 3.432 1.305 1.00 0.00 C ATOM 0 H THR B 74 13.236 3.736 -2.464 1.00 0.00 H new ATOM 0 HA THR B 74 15.685 3.404 -1.132 1.00 0.00 H new ATOM 0 HB THR B 74 12.880 3.036 -0.009 1.00 0.00 H new ATOM 0 HG1 THR B 74 13.033 5.340 0.400 1.00 0.00 H new ATOM 0 HG21 THR B 74 13.889 3.871 2.081 1.00 0.00 H new ATOM 0 HG22 THR B 74 14.676 2.376 1.522 1.00 0.00 H new ATOM 0 HG23 THR B 74 15.476 3.947 1.280 1.00 0.00 H new ATOM 547 N LEU B 75 13.704 0.747 -1.200 1.00 0.00 N ATOM 548 CA LEU B 75 13.676 -0.701 -1.029 1.00 0.00 C ATOM 549 C LEU B 75 14.607 -1.385 -2.025 1.00 0.00 C ATOM 550 O LEU B 75 15.256 -2.380 -1.701 1.00 0.00 O ATOM 551 CB LEU B 75 12.250 -1.227 -1.202 1.00 0.00 C ATOM 552 CG LEU B 75 11.163 -0.490 -0.419 1.00 0.00 C ATOM 553 CD1 LEU B 75 9.822 -0.608 -1.126 1.00 0.00 C ATOM 554 CD2 LEU B 75 11.068 -1.032 1.000 1.00 0.00 C ATOM 0 H LEU B 75 12.826 1.150 -1.527 1.00 0.00 H new ATOM 0 HA LEU B 75 14.021 -0.930 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU B 75 11.996 -1.189 -2.261 1.00 0.00 H new ATOM 0 HB3 LEU B 75 12.233 -2.276 -0.908 1.00 0.00 H new ATOM 0 HG LEU B 75 11.432 0.565 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU B 75 9.061 -0.077 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU B 75 9.896 -0.172 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU B 75 9.546 -1.659 -1.209 1.00 0.00 H new ATOM 0 HD21 LEU B 75 10.289 -0.496 1.543 1.00 0.00 H new ATOM 0 HD22 LEU B 75 10.823 -2.094 0.968 1.00 0.00 H new ATOM 0 HD23 LEU B 75 12.023 -0.895 1.507 1.00 0.00 H new ATOM 566 N ILE B 76 14.668 -0.844 -3.237 1.00 0.00 N ATOM 567 CA ILE B 76 15.522 -1.400 -4.279 1.00 0.00 C ATOM 568 C ILE B 76 16.996 -1.254 -3.918 1.00 0.00 C ATOM 569 O ILE B 76 17.782 -2.188 -4.086 1.00 0.00 O ATOM 570 CB ILE B 76 15.268 -0.721 -5.638 1.00 0.00 C ATOM 571 CG1 ILE B 76 13.789 -0.823 -6.016 1.00 0.00 C ATOM 572 CG2 ILE B 76 16.140 -1.348 -6.715 1.00 0.00 C ATOM 573 CD1 ILE B 76 13.390 0.096 -7.149 1.00 0.00 C ATOM 0 H ILE B 76 14.136 -0.021 -3.522 1.00 0.00 H new ATOM 0 HA ILE B 76 15.273 -2.458 -4.359 1.00 0.00 H new ATOM 0 HB ILE B 76 15.530 0.334 -5.554 1.00 0.00 H new ATOM 0 HG12 ILE B 76 13.564 -1.852 -6.297 1.00 0.00 H new ATOM 0 HG13 ILE B 76 13.182 -0.592 -5.141 1.00 0.00 H new ATOM 0 HG21 ILE B 76 15.949 -0.857 -7.669 1.00 0.00 H new ATOM 0 HG22 ILE B 76 17.190 -1.227 -6.449 1.00 0.00 H new ATOM 0 HG23 ILE B 76 15.907 -2.409 -6.800 1.00 0.00 H new ATOM 0 HD11 ILE B 76 12.329 -0.030 -7.363 1.00 0.00 H new ATOM 0 HD12 ILE B 76 13.583 1.130 -6.864 1.00 0.00 H new ATOM 0 HD13 ILE B 76 13.971 -0.149 -8.038 1.00 0.00 H new ATOM 585 N ILE B 77 17.364 -0.079 -3.420 1.00 0.00 N ATOM 586 CA ILE B 77 18.743 0.188 -3.032 1.00 0.00 C ATOM 587 C ILE B 77 19.158 -0.678 -1.847 1.00 0.00 C ATOM 588 O ILE B 77 20.122 -1.440 -1.929 1.00 0.00 O ATOM 589 CB ILE B 77 18.949 1.670 -2.667 1.00 0.00 C ATOM 590 CG1 ILE B 77 18.883 2.541 -3.924 1.00 0.00 C ATOM 591 CG2 ILE B 77 20.279 1.860 -1.953 1.00 0.00 C ATOM 592 CD1 ILE B 77 20.043 2.325 -4.870 1.00 0.00 C ATOM 0 H ILE B 77 16.726 0.704 -3.276 1.00 0.00 H new ATOM 0 HA ILE B 77 19.365 -0.055 -3.893 1.00 0.00 H new ATOM 0 HB ILE B 77 18.150 1.977 -1.992 1.00 0.00 H new ATOM 0 HG12 ILE B 77 17.952 2.334 -4.451 1.00 0.00 H new ATOM 0 HG13 ILE B 77 18.856 3.590 -3.629 1.00 0.00 H new ATOM 0 HG21 ILE B 77 20.410 2.913 -1.702 1.00 0.00 H new ATOM 0 HG22 ILE B 77 20.290 1.265 -1.040 1.00 0.00 H new ATOM 0 HG23 ILE B 77 21.091 1.539 -2.605 1.00 0.00 H new ATOM 0 HD11 ILE B 77 19.930 2.975 -5.738 1.00 0.00 H new ATOM 0 HD12 ILE B 77 20.977 2.560 -4.360 1.00 0.00 H new ATOM 0 HD13 ILE B 77 20.059 1.285 -5.195 1.00 0.00 H new ATOM 604 N PHE B 78 18.424 -0.556 -0.746 1.00 0.00 N ATOM 605 CA PHE B 78 18.715 -1.328 0.456 1.00 0.00 C ATOM 606 C PHE B 78 18.611 -2.825 0.180 1.00 0.00 C ATOM 607 O PHE B 78 19.302 -3.632 0.800 1.00 0.00 O ATOM 608 CB PHE B 78 17.755 -0.938 1.583 1.00 0.00 C ATOM 609 CG PHE B 78 17.852 -1.829 2.788 1.00 0.00 C ATOM 610 CD1 PHE B 78 17.089 -2.982 2.877 1.00 0.00 C ATOM 611 CD2 PHE B 78 18.707 -1.514 3.832 1.00 0.00 C ATOM 612 CE1 PHE B 78 17.176 -3.803 3.985 1.00 0.00 C ATOM 613 CE2 PHE B 78 18.799 -2.331 4.942 1.00 0.00 C ATOM 614 CZ PHE B 78 18.033 -3.478 5.019 1.00 0.00 C ATOM 0 H PHE B 78 17.623 0.070 -0.661 1.00 0.00 H new ATOM 0 HA PHE B 78 19.736 -1.103 0.763 1.00 0.00 H new ATOM 0 HB2 PHE B 78 17.959 0.090 1.884 1.00 0.00 H new ATOM 0 HB3 PHE B 78 16.733 -0.963 1.204 1.00 0.00 H new ATOM 0 HD1 PHE B 78 16.419 -3.242 2.071 1.00 0.00 H new ATOM 0 HD2 PHE B 78 19.309 -0.619 3.777 1.00 0.00 H new ATOM 0 HE1 PHE B 78 16.575 -4.698 4.043 1.00 0.00 H new ATOM 0 HE2 PHE B 78 19.469 -2.073 5.749 1.00 0.00 H new ATOM 0 HZ PHE B 78 18.104 -4.119 5.885 1.00 0.00 H new ATOM 624 N GLY B 79 17.740 -3.189 -0.757 1.00 0.00 N ATOM 625 CA GLY B 79 17.560 -4.588 -1.099 1.00 0.00 C ATOM 626 C GLY B 79 18.766 -5.171 -1.809 1.00 0.00 C ATOM 627 O GLY B 79 19.429 -6.068 -1.287 1.00 0.00 O ATOM 0 H GLY B 79 17.156 -2.540 -1.285 1.00 0.00 H new ATOM 0 HA2 GLY B 79 17.366 -5.159 -0.191 1.00 0.00 H new ATOM 0 HA3 GLY B 79 16.681 -4.693 -1.736 1.00 0.00 H new ATOM 631 N VAL B 80 19.052 -4.662 -3.003 1.00 0.00 N ATOM 632 CA VAL B 80 20.186 -5.138 -3.786 1.00 0.00 C ATOM 633 C VAL B 80 21.488 -5.008 -3.003 1.00 0.00 C ATOM 634 O VAL B 80 22.377 -5.852 -3.113 1.00 0.00 O ATOM 635 CB VAL B 80 20.318 -4.365 -5.111 1.00 0.00 C ATOM 636 CG1 VAL B 80 21.521 -4.857 -5.900 1.00 0.00 C ATOM 637 CG2 VAL B 80 19.043 -4.494 -5.932 1.00 0.00 C ATOM 0 H VAL B 80 18.514 -3.920 -3.449 1.00 0.00 H new ATOM 0 HA VAL B 80 20.000 -6.190 -4.005 1.00 0.00 H new ATOM 0 HB VAL B 80 20.471 -3.310 -4.882 1.00 0.00 H new ATOM 0 HG11 VAL B 80 21.597 -4.299 -6.833 1.00 0.00 H new ATOM 0 HG12 VAL B 80 22.427 -4.708 -5.313 1.00 0.00 H new ATOM 0 HG13 VAL B 80 21.402 -5.918 -6.121 1.00 0.00 H new ATOM 0 HG21 VAL B 80 19.154 -3.942 -6.865 1.00 0.00 H new ATOM 0 HG22 VAL B 80 18.857 -5.545 -6.152 1.00 0.00 H new ATOM 0 HG23 VAL B 80 18.204 -4.088 -5.367 1.00 0.00 H new ATOM 647 N MET B 81 21.592 -3.946 -2.211 1.00 0.00 N ATOM 648 CA MET B 81 22.785 -3.706 -1.408 1.00 0.00 C ATOM 649 C MET B 81 22.951 -4.787 -0.345 1.00 0.00 C ATOM 650 O MET B 81 24.039 -5.334 -0.166 1.00 0.00 O ATOM 651 CB MET B 81 22.712 -2.329 -0.745 1.00 0.00 C ATOM 652 CG MET B 81 23.059 -1.184 -1.682 1.00 0.00 C ATOM 653 SD MET B 81 24.750 -0.598 -1.465 1.00 0.00 S ATOM 654 CE MET B 81 24.597 0.320 0.065 1.00 0.00 C ATOM 0 H MET B 81 20.865 -3.238 -2.108 1.00 0.00 H new ATOM 0 HA MET B 81 23.650 -3.736 -2.070 1.00 0.00 H new ATOM 0 HB2 MET B 81 21.706 -2.176 -0.354 1.00 0.00 H new ATOM 0 HB3 MET B 81 23.391 -2.309 0.107 1.00 0.00 H new ATOM 0 HG2 MET B 81 22.921 -1.509 -2.713 1.00 0.00 H new ATOM 0 HG3 MET B 81 22.368 -0.358 -1.512 1.00 0.00 H new ATOM 0 HE1 MET B 81 25.510 0.889 0.241 1.00 0.00 H new ATOM 0 HE2 MET B 81 23.751 1.004 -0.004 1.00 0.00 H new ATOM 0 HE3 MET B 81 24.437 -0.373 0.891 1.00 0.00 H new ATOM 664 N ALA B 82 21.865 -5.090 0.359 1.00 0.00 N ATOM 665 CA ALA B 82 21.890 -6.107 1.403 1.00 0.00 C ATOM 666 C ALA B 82 22.219 -7.479 0.825 1.00 0.00 C ATOM 667 O ALA B 82 22.945 -8.263 1.436 1.00 0.00 O ATOM 668 CB ALA B 82 20.556 -6.146 2.135 1.00 0.00 C ATOM 0 H ALA B 82 20.957 -4.645 0.225 1.00 0.00 H new ATOM 0 HA ALA B 82 22.674 -5.844 2.113 1.00 0.00 H new ATOM 0 HB1 ALA B 82 20.589 -6.910 2.912 1.00 0.00 H new ATOM 0 HB2 ALA B 82 20.362 -5.175 2.590 1.00 0.00 H new ATOM 0 HB3 ALA B 82 19.760 -6.381 1.428 1.00 0.00 H new ATOM 674 N GLY B 83 21.679 -7.764 -0.356 1.00 0.00 N ATOM 675 CA GLY B 83 21.926 -9.043 -0.996 1.00 0.00 C ATOM 676 C GLY B 83 23.331 -9.150 -1.554 1.00 0.00 C ATOM 677 O GLY B 83 24.077 -10.064 -1.205 1.00 0.00 O ATOM 0 H GLY B 83 21.075 -7.132 -0.881 1.00 0.00 H new ATOM 0 HA2 GLY B 83 21.763 -9.844 -0.275 1.00 0.00 H new ATOM 0 HA3 GLY B 83 21.206 -9.188 -1.802 1.00 0.00 H new ATOM 681 N VAL B 84 23.693 -8.213 -2.425 1.00 0.00 N ATOM 682 CA VAL B 84 25.018 -8.206 -3.034 1.00 0.00 C ATOM 683 C VAL B 84 26.111 -8.219 -1.971 1.00 0.00 C ATOM 684 O VAL B 84 27.041 -9.024 -2.032 1.00 0.00 O ATOM 685 CB VAL B 84 25.213 -6.976 -3.940 1.00 0.00 C ATOM 686 CG1 VAL B 84 26.628 -6.942 -4.497 1.00 0.00 C ATOM 687 CG2 VAL B 84 24.188 -6.976 -5.065 1.00 0.00 C ATOM 0 H VAL B 84 23.087 -7.449 -2.725 1.00 0.00 H new ATOM 0 HA VAL B 84 25.093 -9.109 -3.640 1.00 0.00 H new ATOM 0 HB VAL B 84 25.062 -6.078 -3.342 1.00 0.00 H new ATOM 0 HG11 VAL B 84 26.747 -6.066 -5.135 1.00 0.00 H new ATOM 0 HG12 VAL B 84 27.342 -6.892 -3.675 1.00 0.00 H new ATOM 0 HG13 VAL B 84 26.811 -7.844 -5.081 1.00 0.00 H new ATOM 0 HG21 VAL B 84 24.340 -6.100 -5.696 1.00 0.00 H new ATOM 0 HG22 VAL B 84 24.305 -7.879 -5.664 1.00 0.00 H new ATOM 0 HG23 VAL B 84 23.184 -6.949 -4.642 1.00 0.00 H new ATOM 697 N ILE B 85 25.993 -7.322 -0.998 1.00 0.00 N ATOM 698 CA ILE B 85 26.970 -7.232 0.080 1.00 0.00 C ATOM 699 C ILE B 85 27.002 -8.515 0.903 1.00 0.00 C ATOM 700 O ILE B 85 28.066 -9.080 1.151 1.00 0.00 O ATOM 701 CB ILE B 85 26.670 -6.044 1.014 1.00 0.00 C ATOM 702 CG1 ILE B 85 26.829 -4.722 0.260 1.00 0.00 C ATOM 703 CG2 ILE B 85 27.586 -6.081 2.228 1.00 0.00 C ATOM 704 CD1 ILE B 85 28.249 -4.447 -0.185 1.00 0.00 C ATOM 0 H ILE B 85 25.231 -6.647 -0.934 1.00 0.00 H new ATOM 0 HA ILE B 85 27.942 -7.080 -0.388 1.00 0.00 H new ATOM 0 HB ILE B 85 25.639 -6.122 1.359 1.00 0.00 H new ATOM 0 HG12 ILE B 85 26.178 -4.731 -0.614 1.00 0.00 H new ATOM 0 HG13 ILE B 85 26.493 -3.906 0.899 1.00 0.00 H new ATOM 0 HG21 ILE B 85 27.362 -5.236 2.879 1.00 0.00 H new ATOM 0 HG22 ILE B 85 27.429 -7.011 2.774 1.00 0.00 H new ATOM 0 HG23 ILE B 85 28.625 -6.023 1.902 1.00 0.00 H new ATOM 0 HD11 ILE B 85 28.287 -3.494 -0.713 1.00 0.00 H new ATOM 0 HD12 ILE B 85 28.902 -4.405 0.687 1.00 0.00 H new ATOM 0 HD13 ILE B 85 28.583 -5.243 -0.850 1.00 0.00 H new ATOM 716 N GLY B 86 25.826 -8.972 1.322 1.00 0.00 N ATOM 717 CA GLY B 86 25.740 -10.187 2.111 1.00 0.00 C ATOM 718 C GLY B 86 26.291 -11.394 1.378 1.00 0.00 C ATOM 719 O GLY B 86 26.880 -12.287 1.989 1.00 0.00 O ATOM 0 H GLY B 86 24.931 -8.522 1.129 1.00 0.00 H new ATOM 0 HA2 GLY B 86 26.288 -10.051 3.043 1.00 0.00 H new ATOM 0 HA3 GLY B 86 24.699 -10.371 2.377 1.00 0.00 H new ATOM 723 N THR B 87 26.099 -11.425 0.063 1.00 0.00 N ATOM 724 CA THR B 87 26.579 -12.532 -0.754 1.00 0.00 C ATOM 725 C THR B 87 28.101 -12.545 -0.825 1.00 0.00 C ATOM 726 O THR B 87 28.742 -13.524 -0.440 1.00 0.00 O ATOM 727 CB THR B 87 26.010 -12.463 -2.184 1.00 0.00 C ATOM 728 OG1 THR B 87 24.581 -12.536 -2.147 1.00 0.00 O ATOM 729 CG2 THR B 87 26.559 -13.593 -3.041 1.00 0.00 C ATOM 0 H THR B 87 25.614 -10.695 -0.459 1.00 0.00 H new ATOM 0 HA THR B 87 26.233 -13.449 -0.277 1.00 0.00 H new ATOM 0 HB THR B 87 26.313 -11.514 -2.626 1.00 0.00 H new ATOM 0 HG1 THR B 87 24.230 -11.802 -1.601 1.00 0.00 H new ATOM 0 HG21 THR B 87 26.143 -13.523 -4.046 1.00 0.00 H new ATOM 0 HG22 THR B 87 27.645 -13.516 -3.092 1.00 0.00 H new ATOM 0 HG23 THR B 87 26.283 -14.551 -2.600 1.00 0.00 H new ATOM 737 N ILE B 88 28.675 -11.452 -1.318 1.00 0.00 N ATOM 738 CA ILE B 88 30.123 -11.338 -1.436 1.00 0.00 C ATOM 739 C ILE B 88 30.804 -11.549 -0.088 1.00 0.00 C ATOM 740 O ILE B 88 31.871 -12.159 -0.007 1.00 0.00 O ATOM 741 CB ILE B 88 30.536 -9.964 -1.997 1.00 0.00 C ATOM 742 CG1 ILE B 88 29.895 -9.736 -3.368 1.00 0.00 C ATOM 743 CG2 ILE B 88 32.051 -9.863 -2.091 1.00 0.00 C ATOM 744 CD1 ILE B 88 30.240 -8.397 -3.981 1.00 0.00 C ATOM 0 H ILE B 88 28.159 -10.634 -1.642 1.00 0.00 H new ATOM 0 HA ILE B 88 30.444 -12.116 -2.128 1.00 0.00 H new ATOM 0 HB ILE B 88 30.182 -9.189 -1.317 1.00 0.00 H new ATOM 0 HG12 ILE B 88 30.213 -10.529 -4.045 1.00 0.00 H new ATOM 0 HG13 ILE B 88 28.812 -9.814 -3.271 1.00 0.00 H new ATOM 0 HG21 ILE B 88 32.327 -8.886 -2.489 1.00 0.00 H new ATOM 0 HG22 ILE B 88 32.486 -9.987 -1.099 1.00 0.00 H new ATOM 0 HG23 ILE B 88 32.427 -10.644 -2.752 1.00 0.00 H new ATOM 0 HD11 ILE B 88 29.752 -8.304 -4.951 1.00 0.00 H new ATOM 0 HD12 ILE B 88 29.898 -7.597 -3.324 1.00 0.00 H new ATOM 0 HD13 ILE B 88 31.320 -8.323 -4.110 1.00 0.00 H new ATOM 756 N LEU B 89 30.179 -11.043 0.969 1.00 0.00 N ATOM 757 CA LEU B 89 30.723 -11.177 2.316 1.00 0.00 C ATOM 758 C LEU B 89 30.746 -12.639 2.751 1.00 0.00 C ATOM 759 O LEU B 89 31.785 -13.160 3.158 1.00 0.00 O ATOM 760 CB LEU B 89 29.897 -10.352 3.305 1.00 0.00 C ATOM 761 CG LEU B 89 30.269 -8.874 3.420 1.00 0.00 C ATOM 762 CD1 LEU B 89 29.192 -8.110 4.177 1.00 0.00 C ATOM 763 CD2 LEU B 89 31.618 -8.714 4.105 1.00 0.00 C ATOM 0 H LEU B 89 29.295 -10.536 0.920 1.00 0.00 H new ATOM 0 HA LEU B 89 31.747 -10.804 2.307 1.00 0.00 H new ATOM 0 HB2 LEU B 89 28.848 -10.421 3.017 1.00 0.00 H new ATOM 0 HB3 LEU B 89 29.988 -10.807 4.291 1.00 0.00 H new ATOM 0 HG LEU B 89 30.343 -8.459 2.415 1.00 0.00 H new ATOM 0 HD11 LEU B 89 29.474 -7.060 4.249 1.00 0.00 H new ATOM 0 HD12 LEU B 89 28.244 -8.196 3.646 1.00 0.00 H new ATOM 0 HD13 LEU B 89 29.086 -8.527 5.179 1.00 0.00 H new ATOM 0 HD21 LEU B 89 31.866 -7.655 4.178 1.00 0.00 H new ATOM 0 HD22 LEU B 89 31.572 -9.145 5.105 1.00 0.00 H new ATOM 0 HD23 LEU B 89 32.384 -9.227 3.524 1.00 0.00 H new ATOM 775 N LEU B 90 29.595 -13.296 2.660 1.00 0.00 N ATOM 776 CA LEU B 90 29.483 -14.700 3.041 1.00 0.00 C ATOM 777 C LEU B 90 30.502 -15.551 2.290 1.00 0.00 C ATOM 778 O LEU B 90 31.221 -16.351 2.891 1.00 0.00 O ATOM 779 CB LEU B 90 28.069 -15.213 2.764 1.00 0.00 C ATOM 780 CG LEU B 90 27.566 -16.325 3.685 1.00 0.00 C ATOM 781 CD1 LEU B 90 26.047 -16.302 3.768 1.00 0.00 C ATOM 782 CD2 LEU B 90 28.055 -17.682 3.200 1.00 0.00 C ATOM 0 H LEU B 90 28.726 -12.879 2.326 1.00 0.00 H new ATOM 0 HA LEU B 90 29.688 -14.779 4.109 1.00 0.00 H new ATOM 0 HB2 LEU B 90 27.379 -14.372 2.833 1.00 0.00 H new ATOM 0 HB3 LEU B 90 28.030 -15.574 1.736 1.00 0.00 H new ATOM 0 HG LEU B 90 27.967 -16.153 4.684 1.00 0.00 H new ATOM 0 HD11 LEU B 90 25.707 -17.100 4.428 1.00 0.00 H new ATOM 0 HD12 LEU B 90 25.719 -15.340 4.162 1.00 0.00 H new ATOM 0 HD13 LEU B 90 25.626 -16.449 2.773 1.00 0.00 H new ATOM 0 HD21 LEU B 90 27.687 -18.461 3.868 1.00 0.00 H new ATOM 0 HD22 LEU B 90 27.684 -17.863 2.191 1.00 0.00 H new ATOM 0 HD23 LEU B 90 29.145 -17.695 3.193 1.00 0.00 H new ATOM 794 N ILE B 91 30.560 -15.372 0.975 1.00 0.00 N ATOM 795 CA ILE B 91 31.494 -16.121 0.143 1.00 0.00 C ATOM 796 C ILE B 91 32.938 -15.771 0.485 1.00 0.00 C ATOM 797 O ILE B 91 33.736 -16.645 0.823 1.00 0.00 O ATOM 798 CB ILE B 91 31.253 -15.854 -1.354 1.00 0.00 C ATOM 799 CG1 ILE B 91 29.826 -16.245 -1.742 1.00 0.00 C ATOM 800 CG2 ILE B 91 32.265 -16.615 -2.198 1.00 0.00 C ATOM 801 CD1 ILE B 91 29.506 -16.000 -3.200 1.00 0.00 C ATOM 0 H ILE B 91 29.972 -14.715 0.463 1.00 0.00 H new ATOM 0 HA ILE B 91 31.321 -17.178 0.347 1.00 0.00 H new ATOM 0 HB ILE B 91 31.381 -14.788 -1.542 1.00 0.00 H new ATOM 0 HG12 ILE B 91 29.674 -17.301 -1.518 1.00 0.00 H new ATOM 0 HG13 ILE B 91 29.124 -15.684 -1.125 1.00 0.00 H new ATOM 0 HG21 ILE B 91 32.081 -16.416 -3.254 1.00 0.00 H new ATOM 0 HG22 ILE B 91 33.273 -16.291 -1.938 1.00 0.00 H new ATOM 0 HG23 ILE B 91 32.167 -17.684 -2.008 1.00 0.00 H new ATOM 0 HD11 ILE B 91 28.478 -16.300 -3.402 1.00 0.00 H new ATOM 0 HD12 ILE B 91 29.625 -14.940 -3.426 1.00 0.00 H new ATOM 0 HD13 ILE B 91 30.184 -16.582 -3.824 1.00 0.00 H new ATOM 813 N SER B 92 33.267 -14.486 0.396 1.00 0.00 N ATOM 814 CA SER B 92 34.616 -14.019 0.694 1.00 0.00 C ATOM 815 C SER B 92 35.044 -14.453 2.093 1.00 0.00 C ATOM 816 O SER B 92 36.235 -14.575 2.380 1.00 0.00 O ATOM 817 CB SER B 92 34.689 -12.496 0.575 1.00 0.00 C ATOM 818 OG SER B 92 34.387 -12.072 -0.743 1.00 0.00 O ATOM 0 H SER B 92 32.617 -13.750 0.120 1.00 0.00 H new ATOM 0 HA SER B 92 35.297 -14.466 -0.030 1.00 0.00 H new ATOM 0 HB2 SER B 92 33.990 -12.039 1.276 1.00 0.00 H new ATOM 0 HB3 SER B 92 35.687 -12.154 0.851 1.00 0.00 H new ATOM 0 HG SER B 92 33.417 -11.973 -0.840 1.00 0.00 H new ATOM 824 N TYR B 93 34.064 -14.683 2.960 1.00 0.00 N ATOM 825 CA TYR B 93 34.337 -15.101 4.330 1.00 0.00 C ATOM 826 C TYR B 93 34.885 -16.524 4.366 1.00 0.00 C ATOM 827 O TYR B 93 35.924 -16.787 4.970 1.00 0.00 O ATOM 828 CB TYR B 93 33.067 -15.009 5.176 1.00 0.00 C ATOM 829 CG TYR B 93 33.292 -15.310 6.641 1.00 0.00 C ATOM 830 CD1 TYR B 93 34.029 -14.447 7.442 1.00 0.00 C ATOM 831 CD2 TYR B 93 32.768 -16.458 7.223 1.00 0.00 C ATOM 832 CE1 TYR B 93 34.239 -14.718 8.780 1.00 0.00 C ATOM 833 CE2 TYR B 93 32.971 -16.736 8.561 1.00 0.00 C ATOM 834 CZ TYR B 93 33.707 -15.864 9.335 1.00 0.00 C ATOM 835 OH TYR B 93 33.912 -16.138 10.668 1.00 0.00 O ATOM 0 H TYR B 93 33.073 -14.587 2.738 1.00 0.00 H new ATOM 0 HA TYR B 93 35.090 -14.431 4.745 1.00 0.00 H new ATOM 0 HB2 TYR B 93 32.648 -14.007 5.080 1.00 0.00 H new ATOM 0 HB3 TYR B 93 32.326 -15.704 4.781 1.00 0.00 H new ATOM 0 HD1 TYR B 93 34.445 -13.548 7.011 1.00 0.00 H new ATOM 0 HD2 TYR B 93 32.193 -17.144 6.619 1.00 0.00 H new ATOM 0 HE1 TYR B 93 34.816 -14.037 9.388 1.00 0.00 H new ATOM 0 HE2 TYR B 93 32.555 -17.632 8.998 1.00 0.00 H new ATOM 0 HH TYR B 93 33.470 -16.981 10.900 1.00 0.00 H new ATOM 845 N GLY B 94 34.176 -17.441 3.715 1.00 0.00 N ATOM 846 CA GLY B 94 34.605 -18.827 3.684 1.00 0.00 C ATOM 847 C GLY B 94 35.871 -19.024 2.874 1.00 0.00 C ATOM 848 O GLY B 94 36.591 -20.005 3.064 1.00 0.00 O ATOM 0 H GLY B 94 33.312 -17.249 3.208 1.00 0.00 H new ATOM 0 HA2 GLY B 94 34.772 -19.175 4.703 1.00 0.00 H new ATOM 0 HA3 GLY B 94 33.809 -19.441 3.263 1.00 0.00 H new ATOM 852 N ILE B 95 36.143 -18.091 1.968 1.00 0.00 N ATOM 853 CA ILE B 95 37.331 -18.167 1.126 1.00 0.00 C ATOM 854 C ILE B 95 38.581 -17.766 1.902 1.00 0.00 C ATOM 855 O ILE B 95 39.684 -18.219 1.598 1.00 0.00 O ATOM 856 CB ILE B 95 37.199 -17.266 -0.116 1.00 0.00 C ATOM 857 CG1 ILE B 95 36.218 -17.879 -1.117 1.00 0.00 C ATOM 858 CG2 ILE B 95 38.560 -17.053 -0.762 1.00 0.00 C ATOM 859 CD1 ILE B 95 36.684 -19.200 -1.688 1.00 0.00 C ATOM 0 H ILE B 95 35.557 -17.274 1.798 1.00 0.00 H new ATOM 0 HA ILE B 95 37.424 -19.204 0.804 1.00 0.00 H new ATOM 0 HB ILE B 95 36.811 -16.297 0.196 1.00 0.00 H new ATOM 0 HG12 ILE B 95 35.255 -18.024 -0.628 1.00 0.00 H new ATOM 0 HG13 ILE B 95 36.058 -17.175 -1.934 1.00 0.00 H new ATOM 0 HG21 ILE B 95 38.451 -16.414 -1.638 1.00 0.00 H new ATOM 0 HG22 ILE B 95 39.231 -16.577 -0.047 1.00 0.00 H new ATOM 0 HG23 ILE B 95 38.974 -18.015 -1.064 1.00 0.00 H new ATOM 0 HD11 ILE B 95 35.939 -19.576 -2.390 1.00 0.00 H new ATOM 0 HD12 ILE B 95 37.632 -19.058 -2.206 1.00 0.00 H new ATOM 0 HD13 ILE B 95 36.817 -19.919 -0.880 1.00 0.00 H new ATOM 871 N ARG B 96 38.400 -16.914 2.905 1.00 0.00 N ATOM 872 CA ARG B 96 39.513 -16.451 3.725 1.00 0.00 C ATOM 873 C ARG B 96 39.874 -17.487 4.786 1.00 0.00 C ATOM 874 O ARG B 96 40.445 -17.154 5.825 1.00 0.00 O ATOM 875 CB ARG B 96 39.163 -15.121 4.394 1.00 0.00 C ATOM 876 CG ARG B 96 40.102 -13.986 4.020 1.00 0.00 C ATOM 877 CD ARG B 96 39.341 -12.795 3.459 1.00 0.00 C ATOM 878 NE ARG B 96 38.348 -12.286 4.401 1.00 0.00 N ATOM 879 CZ ARG B 96 37.682 -11.151 4.225 1.00 0.00 C ATOM 880 NH1 ARG B 96 37.900 -10.410 3.148 1.00 0.00 N ATOM 881 NH2 ARG B 96 36.794 -10.755 5.128 1.00 0.00 N ATOM 0 H ARG B 96 37.493 -16.530 3.170 1.00 0.00 H new ATOM 0 HA ARG B 96 40.375 -16.306 3.074 1.00 0.00 H new ATOM 0 HB2 ARG B 96 38.145 -14.844 4.121 1.00 0.00 H new ATOM 0 HB3 ARG B 96 39.179 -15.253 5.476 1.00 0.00 H new ATOM 0 HG2 ARG B 96 40.668 -13.676 4.898 1.00 0.00 H new ATOM 0 HG3 ARG B 96 40.824 -14.338 3.283 1.00 0.00 H new ATOM 0 HD2 ARG B 96 40.044 -12.001 3.209 1.00 0.00 H new ATOM 0 HD3 ARG B 96 38.846 -13.085 2.532 1.00 0.00 H new ATOM 0 HE ARG B 96 38.155 -12.833 5.240 1.00 0.00 H new ATOM 0 HH11 ARG B 96 38.581 -10.711 2.451 1.00 0.00 H new ATOM 0 HH12 ARG B 96 37.387 -9.539 3.016 1.00 0.00 H new ATOM 0 HH21 ARG B 96 36.623 -11.323 5.958 1.00 0.00 H new ATOM 0 HH22 ARG B 96 36.283 -9.883 4.992 1.00 0.00 H new ATOM 895 N ARG B 97 39.535 -18.744 4.518 1.00 0.00 N ATOM 896 CA ARG B 97 39.822 -19.828 5.450 1.00 0.00 C ATOM 897 C ARG B 97 40.055 -21.139 4.704 1.00 0.00 C ATOM 898 O ARG B 97 41.031 -21.846 4.960 1.00 0.00 O ATOM 899 CB ARG B 97 38.671 -19.992 6.444 1.00 0.00 C ATOM 900 CG ARG B 97 39.020 -20.859 7.642 1.00 0.00 C ATOM 901 CD ARG B 97 38.537 -20.234 8.942 1.00 0.00 C ATOM 902 NE ARG B 97 39.367 -19.103 9.347 1.00 0.00 N ATOM 903 CZ ARG B 97 39.267 -18.504 10.528 1.00 0.00 C ATOM 904 NH1 ARG B 97 38.378 -18.927 11.416 1.00 0.00 N ATOM 905 NH2 ARG B 97 40.058 -17.480 10.824 1.00 0.00 N ATOM 0 H ARG B 97 39.061 -19.037 3.663 1.00 0.00 H new ATOM 0 HA ARG B 97 40.731 -19.574 5.995 1.00 0.00 H new ATOM 0 HB2 ARG B 97 38.363 -19.007 6.796 1.00 0.00 H new ATOM 0 HB3 ARG B 97 37.816 -20.428 5.928 1.00 0.00 H new ATOM 0 HG2 ARG B 97 38.571 -21.845 7.522 1.00 0.00 H new ATOM 0 HG3 ARG B 97 40.099 -21.004 7.686 1.00 0.00 H new ATOM 0 HD2 ARG B 97 37.505 -19.902 8.823 1.00 0.00 H new ATOM 0 HD3 ARG B 97 38.541 -20.987 9.730 1.00 0.00 H new ATOM 0 HE ARG B 97 40.062 -18.754 8.687 1.00 0.00 H new ATOM 0 HH11 ARG B 97 37.769 -19.714 11.193 1.00 0.00 H new ATOM 0 HH12 ARG B 97 38.303 -18.465 12.322 1.00 0.00 H new ATOM 0 HH21 ARG B 97 40.744 -17.152 10.144 1.00 0.00 H new ATOM 0 HH22 ARG B 97 39.980 -17.021 11.732 1.00 0.00 H new ATOM 919 N LEU B 98 39.153 -21.457 3.782 1.00 0.00 N ATOM 920 CA LEU B 98 39.260 -22.683 2.999 1.00 0.00 C ATOM 921 C LEU B 98 38.581 -22.524 1.642 1.00 0.00 C ATOM 922 O LEU B 98 38.759 -23.349 0.747 1.00 0.00 O ATOM 923 CB LEU B 98 38.635 -23.854 3.760 1.00 0.00 C ATOM 924 CG LEU B 98 37.928 -23.502 5.070 1.00 0.00 C ATOM 925 CD1 LEU B 98 36.634 -22.752 4.794 1.00 0.00 C ATOM 926 CD2 LEU B 98 37.655 -24.759 5.883 1.00 0.00 C ATOM 0 H LEU B 98 38.340 -20.883 3.558 1.00 0.00 H new ATOM 0 HA LEU B 98 40.318 -22.888 2.834 1.00 0.00 H new ATOM 0 HB2 LEU B 98 37.917 -24.346 3.104 1.00 0.00 H new ATOM 0 HB3 LEU B 98 39.419 -24.580 3.977 1.00 0.00 H new ATOM 0 HG LEU B 98 38.583 -22.853 5.651 1.00 0.00 H new ATOM 0 HD11 LEU B 98 36.145 -22.510 5.738 1.00 0.00 H new ATOM 0 HD12 LEU B 98 36.855 -21.832 4.254 1.00 0.00 H new ATOM 0 HD13 LEU B 98 35.973 -23.376 4.193 1.00 0.00 H new ATOM 0 HD21 LEU B 98 37.152 -24.490 6.812 1.00 0.00 H new ATOM 0 HD22 LEU B 98 37.020 -25.433 5.308 1.00 0.00 H new ATOM 0 HD23 LEU B 98 38.598 -25.256 6.112 1.00 0.00 H new TER 938 LEU B 98