USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 862 hydrogens (18 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 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 66:sc= 0.265 USER MOD Single : A 37 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.073) USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 31 SER OG : rot 66:sc= 0.266 USER MOD Single : B 37 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.073) USER MOD Single : C 22 SER OG : rot 180:sc= 0 USER MOD Single : C 23 SER OG : rot 180:sc= 0 USER MOD Single : C 31 SER OG : rot 67:sc= 0.262 USER MOD Single : C 37 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.072) USER MOD Single : D 22 SER OG : rot 180:sc= 0 USER MOD Single : D 23 SER OG : rot 180:sc= 0 USER MOD Single : D 31 SER OG : rot 65:sc= 0.259 USER MOD Single : D 37 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.07) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 22 0.522 10.396 18.946 1.00 99.99 N ATOM 2 CA SER A 22 1.252 10.116 17.676 1.00 99.99 C ATOM 3 C SER A 22 1.593 8.656 17.532 1.00 99.99 C ATOM 4 O SER A 22 1.413 7.862 18.456 1.00 99.99 O ATOM 5 CB SER A 22 2.530 11.006 17.546 1.00 99.99 C ATOM 6 OG SER A 22 3.495 10.756 18.566 1.00 99.99 O ATOM 0 HA SER A 22 0.578 10.374 16.859 1.00 99.99 H new ATOM 0 HB2 SER A 22 2.988 10.833 16.572 1.00 99.99 H new ATOM 0 HB3 SER A 22 2.239 12.056 17.580 1.00 99.99 H new ATOM 0 HG SER A 22 4.271 11.339 18.432 1.00 99.99 H new ATOM 11 N SER A 23 2.108 8.280 16.337 1.00 99.99 N ATOM 12 CA SER A 23 2.591 6.951 16.048 1.00 99.99 C ATOM 13 C SER A 23 4.018 7.125 15.596 1.00 99.99 C ATOM 14 O SER A 23 4.613 8.183 15.802 1.00 99.99 O ATOM 15 CB SER A 23 1.747 6.229 14.969 1.00 99.99 C ATOM 16 OG SER A 23 0.414 6.048 15.427 1.00 99.99 O ATOM 0 H SER A 23 2.191 8.920 15.547 1.00 99.99 H new ATOM 0 HA SER A 23 2.516 6.318 16.932 1.00 99.99 H new ATOM 0 HB2 SER A 23 1.747 6.811 14.048 1.00 99.99 H new ATOM 0 HB3 SER A 23 2.193 5.262 14.735 1.00 99.99 H new ATOM 0 HG SER A 23 -0.110 5.592 14.736 1.00 99.99 H new ATOM 22 N ASP A 24 4.618 6.068 14.990 1.00 99.99 N ATOM 23 CA ASP A 24 6.024 6.032 14.631 1.00 99.99 C ATOM 24 C ASP A 24 6.186 6.637 13.253 1.00 99.99 C ATOM 25 O ASP A 24 5.233 6.584 12.483 1.00 99.99 O ATOM 26 CB ASP A 24 6.582 4.581 14.597 1.00 99.99 C ATOM 27 CG ASP A 24 6.505 3.915 15.974 1.00 99.99 C ATOM 28 OD1 ASP A 24 6.418 4.640 17.003 1.00 99.99 O ATOM 29 OD2 ASP A 24 6.543 2.656 16.012 1.00 99.99 O ATOM 0 H ASP A 24 4.116 5.216 14.742 1.00 99.99 H new ATOM 0 HA ASP A 24 6.577 6.592 15.385 1.00 99.99 H new ATOM 0 HB2 ASP A 24 6.018 3.991 13.875 1.00 99.99 H new ATOM 0 HB3 ASP A 24 7.618 4.597 14.257 1.00 99.99 H new ATOM 34 N PRO A 25 7.316 7.237 12.874 1.00 99.99 N ATOM 35 CA PRO A 25 7.388 8.123 11.722 1.00 99.99 C ATOM 36 C PRO A 25 7.360 7.380 10.405 1.00 99.99 C ATOM 37 O PRO A 25 6.937 7.985 9.433 1.00 99.99 O ATOM 38 CB PRO A 25 8.715 8.880 11.895 1.00 99.99 C ATOM 39 CG PRO A 25 9.561 7.966 12.784 1.00 99.99 C ATOM 40 CD PRO A 25 8.515 7.339 13.703 1.00 99.99 C ATOM 0 HA PRO A 25 6.523 8.785 11.686 1.00 99.99 H new ATOM 0 HB2 PRO A 25 9.199 9.059 10.935 1.00 99.99 H new ATOM 0 HB3 PRO A 25 8.559 9.854 12.360 1.00 99.99 H new ATOM 0 HG2 PRO A 25 10.093 7.214 12.202 1.00 99.99 H new ATOM 0 HG3 PRO A 25 10.311 8.525 13.344 1.00 99.99 H new ATOM 0 HD2 PRO A 25 8.835 6.360 14.060 1.00 99.99 H new ATOM 0 HD3 PRO A 25 8.338 7.957 14.583 1.00 99.99 H new ATOM 48 N LEU A 26 7.810 6.105 10.356 1.00 99.99 N ATOM 49 CA LEU A 26 7.756 5.186 9.226 1.00 99.99 C ATOM 50 C LEU A 26 6.320 4.734 9.010 1.00 99.99 C ATOM 51 O LEU A 26 5.890 4.669 7.887 1.00 99.99 O ATOM 52 CB LEU A 26 8.581 3.911 9.452 1.00 99.99 C ATOM 53 CG LEU A 26 8.406 2.788 8.404 1.00 99.99 C ATOM 54 CD1 LEU A 26 8.885 3.199 7.010 1.00 99.99 C ATOM 55 CD2 LEU A 26 9.124 1.513 8.868 1.00 99.99 C ATOM 0 H LEU A 26 8.249 5.674 11.169 1.00 99.99 H new ATOM 0 HA LEU A 26 8.161 5.730 8.372 1.00 99.99 H new ATOM 0 HB2 LEU A 26 9.635 4.187 9.485 1.00 99.99 H new ATOM 0 HB3 LEU A 26 8.326 3.507 10.432 1.00 99.99 H new ATOM 0 HG LEU A 26 7.337 2.591 8.321 1.00 99.99 H new ATOM 0 HD11 LEU A 26 8.738 2.371 6.316 1.00 99.99 H new ATOM 0 HD12 LEU A 26 8.315 4.064 6.670 1.00 99.99 H new ATOM 0 HD13 LEU A 26 9.944 3.455 7.050 1.00 99.99 H new ATOM 0 HD21 LEU A 26 8.993 0.730 8.121 1.00 99.99 H new ATOM 0 HD22 LEU A 26 10.187 1.720 8.995 1.00 99.99 H new ATOM 0 HD23 LEU A 26 8.703 1.183 9.818 1.00 99.99 H new ATOM 67 N VAL A 27 5.659 4.445 10.046 1.00 99.99 N ATOM 68 CA VAL A 27 4.280 3.975 9.985 1.00 99.99 C ATOM 69 C VAL A 27 3.392 5.087 9.448 1.00 99.99 C ATOM 70 O VAL A 27 2.583 4.828 8.592 1.00 99.99 O ATOM 71 CB VAL A 27 3.717 3.598 11.362 1.00 99.99 C ATOM 72 CG1 VAL A 27 2.225 3.225 11.259 1.00 99.99 C ATOM 73 CG2 VAL A 27 4.506 2.399 11.932 1.00 99.99 C ATOM 0 H VAL A 27 6.033 4.517 10.992 1.00 99.99 H new ATOM 0 HA VAL A 27 4.285 3.093 9.345 1.00 99.99 H new ATOM 0 HB VAL A 27 3.817 4.458 12.024 1.00 99.99 H new ATOM 0 HG11 VAL A 27 1.847 2.961 12.247 1.00 99.99 H new ATOM 0 HG12 VAL A 27 1.664 4.075 10.870 1.00 99.99 H new ATOM 0 HG13 VAL A 27 2.108 2.375 10.587 1.00 99.99 H new ATOM 0 HG21 VAL A 27 4.106 2.132 12.910 1.00 99.99 H new ATOM 0 HG22 VAL A 27 4.413 1.548 11.257 1.00 99.99 H new ATOM 0 HG23 VAL A 27 5.557 2.670 12.032 1.00 99.99 H new ATOM 83 N VAL A 28 3.557 6.234 9.949 1.00 99.99 N ATOM 84 CA VAL A 28 2.757 7.385 9.547 1.00 99.99 C ATOM 85 C VAL A 28 3.130 7.785 8.128 1.00 99.99 C ATOM 86 O VAL A 28 2.253 8.060 7.348 1.00 99.99 O ATOM 87 CB VAL A 28 3.004 8.619 10.425 1.00 99.99 C ATOM 88 CG1 VAL A 28 2.279 9.859 9.864 1.00 99.99 C ATOM 89 CG2 VAL A 28 2.534 8.335 11.865 1.00 99.99 C ATOM 0 H VAL A 28 4.254 6.442 10.664 1.00 99.99 H new ATOM 0 HA VAL A 28 1.714 7.082 9.640 1.00 99.99 H new ATOM 0 HB VAL A 28 4.073 8.830 10.427 1.00 99.99 H new ATOM 0 HG11 VAL A 28 2.473 10.717 10.508 1.00 99.99 H new ATOM 0 HG12 VAL A 28 2.644 10.070 8.859 1.00 99.99 H new ATOM 0 HG13 VAL A 28 1.206 9.668 9.828 1.00 99.99 H new ATOM 0 HG21 VAL A 28 2.711 9.214 12.485 1.00 99.99 H new ATOM 0 HG22 VAL A 28 1.469 8.102 11.861 1.00 99.99 H new ATOM 0 HG23 VAL A 28 3.089 7.488 12.269 1.00 99.99 H new ATOM 99 N ALA A 29 4.360 7.810 7.853 1.00 99.99 N ATOM 100 CA ALA A 29 4.860 8.202 6.539 1.00 99.99 C ATOM 101 C ALA A 29 4.328 7.236 5.491 1.00 99.99 C ATOM 102 O ALA A 29 3.940 7.675 4.436 1.00 99.99 O ATOM 103 CB ALA A 29 6.390 8.145 6.441 1.00 99.99 C ATOM 0 H ALA A 29 5.092 7.561 8.519 1.00 99.99 H new ATOM 0 HA ALA A 29 4.527 9.228 6.378 1.00 99.99 H new ATOM 0 HB1 ALA A 29 6.702 8.447 5.441 1.00 99.99 H new ATOM 0 HB2 ALA A 29 6.827 8.820 7.177 1.00 99.99 H new ATOM 0 HB3 ALA A 29 6.729 7.127 6.635 1.00 99.99 H new ATOM 109 N ALA A 30 4.332 6.012 5.796 1.00 99.99 N ATOM 110 CA ALA A 30 3.874 4.977 4.877 1.00 99.99 C ATOM 111 C ALA A 30 2.397 5.182 4.581 1.00 99.99 C ATOM 112 O ALA A 30 1.981 4.931 3.476 1.00 99.99 O ATOM 113 CB ALA A 30 4.004 3.562 5.459 1.00 99.99 C ATOM 0 H ALA A 30 4.652 5.656 6.697 1.00 99.99 H new ATOM 0 HA ALA A 30 4.499 5.061 3.988 1.00 99.99 H new ATOM 0 HB1 ALA A 30 3.648 2.834 4.730 1.00 99.99 H new ATOM 0 HB2 ALA A 30 5.049 3.359 5.693 1.00 99.99 H new ATOM 0 HB3 ALA A 30 3.407 3.486 6.368 1.00 99.99 H new ATOM 119 N SER A 31 1.686 5.610 5.529 1.00 99.99 N ATOM 120 CA SER A 31 0.250 5.829 5.393 1.00 99.99 C ATOM 121 C SER A 31 0.003 6.894 4.335 1.00 99.99 C ATOM 122 O SER A 31 -0.835 6.698 3.490 1.00 99.99 O ATOM 123 CB SER A 31 -0.403 6.340 6.683 1.00 99.99 C ATOM 124 OG SER A 31 -0.341 5.351 7.709 1.00 99.99 O ATOM 0 H SER A 31 2.055 5.834 6.453 1.00 99.99 H new ATOM 0 HA SER A 31 -0.183 4.863 5.132 1.00 99.99 H new ATOM 0 HB2 SER A 31 0.101 7.248 7.016 1.00 99.99 H new ATOM 0 HB3 SER A 31 -1.442 6.605 6.489 1.00 99.99 H new ATOM 0 HG SER A 31 0.593 5.205 7.967 1.00 99.99 H new ATOM 130 N ILE A 32 0.701 7.942 4.415 1.00 99.99 N ATOM 131 CA ILE A 32 0.551 9.053 3.483 1.00 99.99 C ATOM 132 C ILE A 32 0.954 8.602 2.087 1.00 99.99 C ATOM 133 O ILE A 32 0.336 9.008 1.139 1.00 99.99 O ATOM 134 CB ILE A 32 1.450 10.248 3.830 1.00 99.99 C ATOM 135 CG1 ILE A 32 1.018 10.868 5.177 1.00 99.99 C ATOM 136 CG2 ILE A 32 1.400 11.316 2.717 1.00 99.99 C ATOM 137 CD1 ILE A 32 2.066 11.823 5.762 1.00 99.99 C ATOM 0 H ILE A 32 1.415 8.091 5.128 1.00 99.99 H new ATOM 0 HA ILE A 32 -0.493 9.360 3.540 1.00 99.99 H new ATOM 0 HB ILE A 32 2.475 9.888 3.916 1.00 99.99 H new ATOM 0 HG12 ILE A 32 0.081 11.407 5.038 1.00 99.99 H new ATOM 0 HG13 ILE A 32 0.823 10.069 5.892 1.00 99.99 H new ATOM 0 HG21 ILE A 32 2.045 12.152 2.986 1.00 99.99 H new ATOM 0 HG22 ILE A 32 1.743 10.880 1.779 1.00 99.99 H new ATOM 0 HG23 ILE A 32 0.376 11.671 2.599 1.00 99.99 H new ATOM 0 HD11 ILE A 32 1.704 12.226 6.708 1.00 99.99 H new ATOM 0 HD12 ILE A 32 2.997 11.282 5.931 1.00 99.99 H new ATOM 0 HD13 ILE A 32 2.243 12.641 5.064 1.00 99.99 H new ATOM 149 N ILE A 33 1.938 7.816 2.014 1.00 99.99 N ATOM 150 CA ILE A 33 2.452 7.324 0.741 1.00 99.99 C ATOM 151 C ILE A 33 1.359 6.542 0.025 1.00 99.99 C ATOM 152 O ILE A 33 1.156 6.754 -1.142 1.00 99.99 O ATOM 153 CB ILE A 33 3.635 6.360 0.904 1.00 99.99 C ATOM 154 CG1 ILE A 33 4.928 7.193 1.085 1.00 99.99 C ATOM 155 CG2 ILE A 33 3.766 5.394 -0.287 1.00 99.99 C ATOM 156 CD1 ILE A 33 6.126 6.407 1.630 1.00 99.99 C ATOM 0 H ILE A 33 2.444 7.468 2.829 1.00 99.99 H new ATOM 0 HA ILE A 33 2.779 8.203 0.185 1.00 99.99 H new ATOM 0 HB ILE A 33 3.463 5.740 1.784 1.00 99.99 H new ATOM 0 HG12 ILE A 33 5.202 7.626 0.123 1.00 99.99 H new ATOM 0 HG13 ILE A 33 4.718 8.023 1.760 1.00 99.99 H new ATOM 0 HG21 ILE A 33 4.617 4.732 -0.126 1.00 99.99 H new ATOM 0 HG22 ILE A 33 2.856 4.801 -0.376 1.00 99.99 H new ATOM 0 HG23 ILE A 33 3.918 5.965 -1.203 1.00 99.99 H new ATOM 0 HD11 ILE A 33 6.985 7.071 1.723 1.00 99.99 H new ATOM 0 HD12 ILE A 33 5.877 5.996 2.608 1.00 99.99 H new ATOM 0 HD13 ILE A 33 6.369 5.594 0.946 1.00 99.99 H new ATOM 168 N GLY A 34 0.723 5.701 0.718 1.00 99.99 N ATOM 169 CA GLY A 34 -0.334 4.866 0.155 1.00 99.99 C ATOM 170 C GLY A 34 -1.497 5.746 -0.273 1.00 99.99 C ATOM 171 O GLY A 34 -2.117 5.455 -1.265 1.00 99.99 O ATOM 0 H GLY A 34 0.895 5.542 1.711 1.00 99.99 H new ATOM 0 HA2 GLY A 34 0.046 4.305 -0.699 1.00 99.99 H new ATOM 0 HA3 GLY A 34 -0.668 4.136 0.892 1.00 99.99 H new ATOM 175 N ILE A 35 -1.438 7.025 0.062 1.00 99.99 N ATOM 176 CA ILE A 35 -2.481 7.897 -0.471 1.00 99.99 C ATOM 177 C ILE A 35 -1.969 8.587 -1.725 1.00 99.99 C ATOM 178 O ILE A 35 -2.672 8.622 -2.702 1.00 99.99 O ATOM 179 CB ILE A 35 -2.884 9.011 0.503 1.00 99.99 C ATOM 180 CG1 ILE A 35 -3.412 8.403 1.827 1.00 99.99 C ATOM 181 CG2 ILE A 35 -3.960 9.908 -0.145 1.00 99.99 C ATOM 182 CD1 ILE A 35 -3.550 9.400 2.982 1.00 99.99 C ATOM 0 H ILE A 35 -0.735 7.463 0.657 1.00 99.99 H new ATOM 0 HA ILE A 35 -3.344 7.259 -0.663 1.00 99.99 H new ATOM 0 HB ILE A 35 -2.008 9.619 0.730 1.00 99.99 H new ATOM 0 HG12 ILE A 35 -4.385 7.949 1.639 1.00 99.99 H new ATOM 0 HG13 ILE A 35 -2.741 7.602 2.136 1.00 99.99 H new ATOM 0 HG21 ILE A 35 -4.243 10.698 0.551 1.00 99.99 H new ATOM 0 HG22 ILE A 35 -3.562 10.353 -1.057 1.00 99.99 H new ATOM 0 HG23 ILE A 35 -4.837 9.307 -0.388 1.00 99.99 H new ATOM 0 HD11 ILE A 35 -3.926 8.884 3.865 1.00 99.99 H new ATOM 0 HD12 ILE A 35 -2.576 9.837 3.204 1.00 99.99 H new ATOM 0 HD13 ILE A 35 -4.246 10.190 2.700 1.00 99.99 H new ATOM 194 N LEU A 36 -0.815 9.093 -1.659 1.00 99.99 N ATOM 195 CA LEU A 36 -0.211 9.810 -2.778 1.00 99.99 C ATOM 196 C LEU A 36 -0.113 8.877 -3.976 1.00 99.99 C ATOM 197 O LEU A 36 -0.398 9.296 -5.069 1.00 99.99 O ATOM 198 CB LEU A 36 1.217 10.285 -2.481 1.00 99.99 C ATOM 199 CG LEU A 36 1.960 10.933 -3.668 1.00 99.99 C ATOM 200 CD1 LEU A 36 1.258 12.218 -4.127 1.00 99.99 C ATOM 201 CD2 LEU A 36 3.427 11.210 -3.313 1.00 99.99 C ATOM 0 H LEU A 36 -0.223 9.041 -0.830 1.00 99.99 H new ATOM 0 HA LEU A 36 -0.845 10.676 -2.966 1.00 99.99 H new ATOM 0 HB2 LEU A 36 1.180 11.003 -1.662 1.00 99.99 H new ATOM 0 HB3 LEU A 36 1.800 9.433 -2.131 1.00 99.99 H new ATOM 0 HG LEU A 36 1.940 10.226 -4.497 1.00 99.99 H new ATOM 0 HD11 LEU A 36 1.804 12.652 -4.964 1.00 99.99 H new ATOM 0 HD12 LEU A 36 0.240 11.985 -4.440 1.00 99.99 H new ATOM 0 HD13 LEU A 36 1.230 12.931 -3.303 1.00 99.99 H new ATOM 0 HD21 LEU A 36 3.928 11.667 -4.167 1.00 99.99 H new ATOM 0 HD22 LEU A 36 3.473 11.887 -2.460 1.00 99.99 H new ATOM 0 HD23 LEU A 36 3.923 10.273 -3.060 1.00 99.99 H new ATOM 213 N HIS A 37 0.314 7.610 -3.770 1.00 99.99 N ATOM 214 CA HIS A 37 0.507 6.623 -4.806 1.00 99.99 C ATOM 215 C HIS A 37 -0.801 6.328 -5.490 1.00 99.99 C ATOM 216 O HIS A 37 -0.830 5.993 -6.673 1.00 99.99 O ATOM 217 CB HIS A 37 1.081 5.307 -4.229 1.00 99.99 C ATOM 218 CG HIS A 37 1.482 4.296 -5.273 1.00 99.99 C ATOM 219 ND1 HIS A 37 1.707 2.980 -4.972 1.00 99.99 N ATOM 220 CD2 HIS A 37 1.741 4.452 -6.593 1.00 99.99 C ATOM 221 CE1 HIS A 37 2.081 2.356 -6.081 1.00 99.99 C ATOM 222 NE2 HIS A 37 2.109 3.227 -7.080 1.00 99.99 N ATOM 0 H HIS A 37 0.535 7.255 -2.840 1.00 99.99 H new ATOM 0 HA HIS A 37 1.219 7.032 -5.523 1.00 99.99 H new ATOM 0 HB2 HIS A 37 1.950 5.542 -3.614 1.00 99.99 H new ATOM 0 HB3 HIS A 37 0.337 4.857 -3.571 1.00 99.99 H new ATOM 0 HD2 HIS A 37 1.670 5.371 -7.156 1.00 99.99 H new ATOM 0 HE1 HIS A 37 2.324 1.306 -6.158 1.00 99.99 H new ATOM 0 HE2 HIS A 37 2.362 3.020 -8.046 1.00 99.99 H new ATOM 230 N LEU A 38 -1.922 6.492 -4.748 1.00 99.99 N ATOM 231 CA LEU A 38 -3.265 6.258 -5.265 1.00 99.99 C ATOM 232 C LEU A 38 -3.641 7.384 -6.217 1.00 99.99 C ATOM 233 O LEU A 38 -4.173 7.113 -7.264 1.00 99.99 O ATOM 234 CB LEU A 38 -4.337 6.244 -4.166 1.00 99.99 C ATOM 235 CG LEU A 38 -5.770 6.022 -4.706 1.00 99.99 C ATOM 236 CD1 LEU A 38 -5.894 4.691 -5.461 1.00 99.99 C ATOM 237 CD2 LEU A 38 -6.822 6.108 -3.600 1.00 99.99 C ATOM 0 H LEU A 38 -1.906 6.791 -3.773 1.00 99.99 H new ATOM 0 HA LEU A 38 -3.239 5.283 -5.752 1.00 99.99 H new ATOM 0 HB2 LEU A 38 -4.101 5.457 -3.449 1.00 99.99 H new ATOM 0 HB3 LEU A 38 -4.303 7.189 -3.624 1.00 99.99 H new ATOM 0 HG LEU A 38 -5.961 6.832 -5.410 1.00 99.99 H new ATOM 0 HD11 LEU A 38 -6.915 4.572 -5.824 1.00 99.99 H new ATOM 0 HD12 LEU A 38 -5.205 4.686 -6.306 1.00 99.99 H new ATOM 0 HD13 LEU A 38 -5.650 3.868 -4.790 1.00 99.99 H new ATOM 0 HD21 LEU A 38 -7.812 5.946 -4.026 1.00 99.99 H new ATOM 0 HD22 LEU A 38 -6.622 5.346 -2.847 1.00 99.99 H new ATOM 0 HD23 LEU A 38 -6.783 7.094 -3.137 1.00 99.99 H new ATOM 249 N ILE A 39 -3.369 8.555 -5.840 1.00 99.99 N ATOM 250 CA ILE A 39 -3.698 9.730 -6.640 1.00 99.99 C ATOM 251 C ILE A 39 -2.867 9.717 -7.914 1.00 99.99 C ATOM 252 O ILE A 39 -3.398 9.991 -8.962 1.00 99.99 O ATOM 253 CB ILE A 39 -3.374 11.050 -5.925 1.00 99.99 C ATOM 254 CG1 ILE A 39 -4.310 11.231 -4.709 1.00 99.99 C ATOM 255 CG2 ILE A 39 -3.520 12.236 -6.901 1.00 99.99 C ATOM 256 CD1 ILE A 39 -3.946 12.429 -3.822 1.00 99.99 C ATOM 0 H ILE A 39 -2.904 8.770 -4.958 1.00 99.99 H new ATOM 0 HA ILE A 39 -4.770 9.680 -6.832 1.00 99.99 H new ATOM 0 HB ILE A 39 -2.343 11.020 -5.573 1.00 99.99 H new ATOM 0 HG12 ILE A 39 -5.333 11.351 -5.064 1.00 99.99 H new ATOM 0 HG13 ILE A 39 -4.287 10.323 -4.106 1.00 99.99 H new ATOM 0 HG21 ILE A 39 -3.288 13.166 -6.381 1.00 99.99 H new ATOM 0 HG22 ILE A 39 -2.833 12.106 -7.737 1.00 99.99 H new ATOM 0 HG23 ILE A 39 -4.543 12.276 -7.275 1.00 99.99 H new ATOM 0 HD11 ILE A 39 -4.647 12.492 -2.990 1.00 99.99 H new ATOM 0 HD12 ILE A 39 -2.935 12.302 -3.436 1.00 99.99 H new ATOM 0 HD13 ILE A 39 -3.998 13.346 -4.409 1.00 99.99 H new ATOM 268 N LEU A 40 -1.648 9.424 -7.791 1.00 99.99 N ATOM 269 CA LEU A 40 -0.731 9.399 -8.923 1.00 99.99 C ATOM 270 C LEU A 40 -1.216 8.379 -9.943 1.00 99.99 C ATOM 271 O LEU A 40 -1.207 8.671 -11.113 1.00 99.99 O ATOM 272 CB LEU A 40 0.691 8.976 -8.533 1.00 99.99 C ATOM 273 CG LEU A 40 1.487 10.005 -7.700 1.00 99.99 C ATOM 274 CD1 LEU A 40 2.843 9.400 -7.287 1.00 99.99 C ATOM 275 CD2 LEU A 40 1.710 11.322 -8.455 1.00 99.99 C ATOM 0 H LEU A 40 -1.214 9.184 -6.900 1.00 99.99 H new ATOM 0 HA LEU A 40 -0.708 10.415 -9.318 1.00 99.99 H new ATOM 0 HB2 LEU A 40 0.632 8.045 -7.969 1.00 99.99 H new ATOM 0 HB3 LEU A 40 1.250 8.762 -9.444 1.00 99.99 H new ATOM 0 HG LEU A 40 0.895 10.237 -6.814 1.00 99.99 H new ATOM 0 HD11 LEU A 40 3.402 10.128 -6.700 1.00 99.99 H new ATOM 0 HD12 LEU A 40 2.675 8.504 -6.690 1.00 99.99 H new ATOM 0 HD13 LEU A 40 3.412 9.140 -8.179 1.00 99.99 H new ATOM 0 HD21 LEU A 40 2.274 12.011 -7.826 1.00 99.99 H new ATOM 0 HD22 LEU A 40 2.268 11.127 -9.371 1.00 99.99 H new ATOM 0 HD23 LEU A 40 0.746 11.766 -8.705 1.00 99.99 H new ATOM 287 N TRP A 41 -1.602 7.267 -9.489 1.00 99.99 N ATOM 288 CA TRP A 41 -2.067 6.189 -10.354 1.00 99.99 C ATOM 289 C TRP A 41 -3.375 6.603 -11.011 1.00 99.99 C ATOM 290 O TRP A 41 -3.546 6.363 -12.180 1.00 99.99 O ATOM 291 CB TRP A 41 -2.356 4.891 -9.587 1.00 99.99 C ATOM 292 CG TRP A 41 -2.740 3.722 -10.476 1.00 99.99 C ATOM 293 CD1 TRP A 41 -1.904 2.949 -11.223 1.00 99.99 C ATOM 294 CD2 TRP A 41 -4.078 3.289 -10.775 1.00 99.99 C ATOM 295 NE1 TRP A 41 -2.617 2.006 -11.907 1.00 99.99 N ATOM 296 CE2 TRP A 41 -3.956 2.220 -11.682 1.00 99.99 C ATOM 297 CE3 TRP A 41 -5.327 3.731 -10.326 1.00 99.99 C ATOM 298 CZ2 TRP A 41 -5.080 1.555 -12.149 1.00 99.99 C ATOM 299 CZ3 TRP A 41 -6.455 3.066 -10.811 1.00 99.99 C ATOM 300 CH2 TRP A 41 -6.341 1.990 -11.709 1.00 99.99 C ATOM 0 H TRP A 41 -1.619 7.039 -8.495 1.00 99.99 H new ATOM 0 HA TRP A 41 -1.271 6.008 -11.076 1.00 99.99 H new ATOM 0 HB2 TRP A 41 -1.474 4.619 -9.007 1.00 99.99 H new ATOM 0 HB3 TRP A 41 -3.161 5.073 -8.875 1.00 99.99 H new ATOM 0 HD1 TRP A 41 -0.831 3.065 -11.268 1.00 99.99 H new ATOM 0 HE1 TRP A 41 -2.222 1.266 -12.488 1.00 99.99 H new ATOM 0 HE3 TRP A 41 -5.415 4.554 -9.632 1.00 99.99 H new ATOM 0 HZ2 TRP A 41 -4.988 0.724 -12.833 1.00 99.99 H new ATOM 0 HZ3 TRP A 41 -7.436 3.385 -10.490 1.00 99.99 H new ATOM 0 HH2 TRP A 41 -7.232 1.493 -12.064 1.00 99.99 H new ATOM 311 N ILE A 42 -4.222 7.174 -10.270 1.00 99.99 N ATOM 312 CA ILE A 42 -5.530 7.599 -10.761 1.00 99.99 C ATOM 313 C ILE A 42 -5.343 8.700 -11.794 1.00 99.99 C ATOM 314 O ILE A 42 -6.005 8.676 -12.801 1.00 99.99 O ATOM 315 CB ILE A 42 -6.419 8.186 -9.660 1.00 99.99 C ATOM 316 CG1 ILE A 42 -6.890 7.066 -8.703 1.00 99.99 C ATOM 317 CG2 ILE A 42 -7.637 8.916 -10.266 1.00 99.99 C ATOM 318 CD1 ILE A 42 -7.711 7.579 -7.510 1.00 99.99 C ATOM 0 H ILE A 42 -4.061 7.380 -9.284 1.00 99.99 H new ATOM 0 HA ILE A 42 -6.008 6.709 -11.171 1.00 99.99 H new ATOM 0 HB ILE A 42 -5.832 8.912 -9.097 1.00 99.99 H new ATOM 0 HG12 ILE A 42 -7.489 6.349 -9.264 1.00 99.99 H new ATOM 0 HG13 ILE A 42 -6.018 6.529 -8.329 1.00 99.99 H new ATOM 0 HG21 ILE A 42 -8.253 9.324 -9.464 1.00 99.99 H new ATOM 0 HG22 ILE A 42 -7.293 9.727 -10.908 1.00 99.99 H new ATOM 0 HG23 ILE A 42 -8.227 8.213 -10.854 1.00 99.99 H new ATOM 0 HD11 ILE A 42 -8.006 6.738 -6.883 1.00 99.99 H new ATOM 0 HD12 ILE A 42 -7.108 8.273 -6.925 1.00 99.99 H new ATOM 0 HD13 ILE A 42 -8.602 8.090 -7.874 1.00 99.99 H new ATOM 330 N LEU A 43 -4.495 9.594 -11.522 1.00 99.99 N ATOM 331 CA LEU A 43 -4.236 10.720 -12.410 1.00 99.99 C ATOM 332 C LEU A 43 -3.640 10.208 -13.713 1.00 99.99 C ATOM 333 O LEU A 43 -3.934 10.754 -14.746 1.00 99.99 O ATOM 334 CB LEU A 43 -3.221 11.715 -11.831 1.00 99.99 C ATOM 335 CG LEU A 43 -3.739 12.521 -10.617 1.00 99.99 C ATOM 336 CD1 LEU A 43 -2.579 13.282 -9.949 1.00 99.99 C ATOM 337 CD2 LEU A 43 -4.854 13.503 -11.010 1.00 99.99 C ATOM 0 H LEU A 43 -3.933 9.598 -10.671 1.00 99.99 H new ATOM 0 HA LEU A 43 -5.192 11.223 -12.552 1.00 99.99 H new ATOM 0 HB2 LEU A 43 -2.325 11.170 -11.534 1.00 99.99 H new ATOM 0 HB3 LEU A 43 -2.925 12.412 -12.615 1.00 99.99 H new ATOM 0 HG LEU A 43 -4.162 11.808 -9.910 1.00 99.99 H new ATOM 0 HD11 LEU A 43 -2.957 13.845 -9.096 1.00 99.99 H new ATOM 0 HD12 LEU A 43 -1.825 12.571 -9.610 1.00 99.99 H new ATOM 0 HD13 LEU A 43 -2.132 13.969 -10.668 1.00 99.99 H new ATOM 0 HD21 LEU A 43 -5.187 14.047 -10.127 1.00 99.99 H new ATOM 0 HD22 LEU A 43 -4.474 14.208 -11.749 1.00 99.99 H new ATOM 0 HD23 LEU A 43 -5.693 12.951 -11.434 1.00 99.99 H new ATOM 349 N ASP A 44 -2.849 9.229 -13.625 1.00 99.99 N ATOM 350 CA ASP A 44 -2.186 8.654 -14.788 1.00 99.99 C ATOM 351 C ASP A 44 -3.224 7.988 -15.682 1.00 99.99 C ATOM 352 O ASP A 44 -3.134 8.114 -16.878 1.00 99.99 O ATOM 353 CB ASP A 44 -1.169 7.565 -14.421 1.00 99.99 C ATOM 354 CG ASP A 44 -0.411 7.028 -15.650 1.00 99.99 C ATOM 355 OD1 ASP A 44 0.370 7.803 -16.253 1.00 99.99 O ATOM 356 OD2 ASP A 44 -0.558 5.815 -15.986 1.00 99.99 O ATOM 0 H ASP A 44 -2.615 8.770 -12.744 1.00 99.99 H new ATOM 0 HA ASP A 44 -1.668 9.477 -15.281 1.00 99.99 H new ATOM 0 HB2 ASP A 44 -0.453 7.967 -13.704 1.00 99.99 H new ATOM 0 HB3 ASP A 44 -1.685 6.741 -13.928 1.00 99.99 H new ATOM 361 N ARG A 45 -4.127 7.327 -15.102 1.00 99.99 N ATOM 362 CA ARG A 45 -5.171 6.619 -15.835 1.00 99.99 C ATOM 363 C ARG A 45 -6.026 7.623 -16.593 1.00 99.99 C ATOM 364 O ARG A 45 -6.333 7.386 -17.734 1.00 99.99 O ATOM 365 CB ARG A 45 -6.126 5.845 -14.916 1.00 99.99 C ATOM 366 CG ARG A 45 -5.450 4.689 -14.151 1.00 99.99 C ATOM 367 CD ARG A 45 -5.174 3.463 -15.031 1.00 99.99 C ATOM 368 NE ARG A 45 -3.772 3.568 -15.574 1.00 99.99 N ATOM 369 CZ ARG A 45 -3.401 2.902 -16.684 1.00 99.99 C ATOM 370 NH1 ARG A 45 -4.255 2.099 -17.342 1.00 99.99 N ATOM 371 NH2 ARG A 45 -2.134 3.032 -17.111 1.00 99.99 N ATOM 0 H ARG A 45 -4.197 7.237 -14.088 1.00 99.99 H new ATOM 0 HA ARG A 45 -4.659 5.918 -16.494 1.00 99.99 H new ATOM 0 HB2 ARG A 45 -6.565 6.537 -14.197 1.00 99.99 H new ATOM 0 HB3 ARG A 45 -6.945 5.444 -15.513 1.00 99.99 H new ATOM 0 HG2 ARG A 45 -4.510 5.043 -13.727 1.00 99.99 H new ATOM 0 HG3 ARG A 45 -6.085 4.394 -13.316 1.00 99.99 H new ATOM 0 HD2 ARG A 45 -5.288 2.547 -14.451 1.00 99.99 H new ATOM 0 HD3 ARG A 45 -5.894 3.414 -15.848 1.00 99.99 H new ATOM 0 HE ARG A 45 -3.091 4.155 -15.092 1.00 99.99 H new ATOM 0 HH11 ARG A 45 -5.210 1.983 -17.003 1.00 99.99 H new ATOM 0 HH12 ARG A 45 -3.948 1.606 -18.181 1.00 99.99 H new ATOM 0 HH21 ARG A 45 -1.481 3.624 -16.597 1.00 99.99 H new ATOM 0 HH22 ARG A 45 -1.825 2.539 -17.949 1.00 99.99 H new ATOM 385 N LEU A 46 -6.370 8.660 -15.963 1.00 99.99 N ATOM 386 CA LEU A 46 -7.209 9.693 -16.559 1.00 99.99 C ATOM 387 C LEU A 46 -6.452 10.364 -17.695 1.00 99.99 C ATOM 388 O LEU A 46 -5.455 11.049 -17.474 1.00 99.99 O ATOM 389 CB LEU A 46 -7.581 10.806 -15.570 1.00 99.99 C ATOM 390 CG LEU A 46 -8.359 10.395 -14.296 1.00 99.99 C ATOM 391 CD1 LEU A 46 -8.409 11.606 -13.346 1.00 99.99 C ATOM 392 CD2 LEU A 46 -9.777 9.891 -14.586 1.00 99.99 C ATOM 0 H LEU A 46 -6.092 8.854 -15.001 1.00 99.99 H new ATOM 0 HA LEU A 46 -8.117 9.192 -16.894 1.00 99.99 H new ATOM 0 HB2 LEU A 46 -6.661 11.301 -15.258 1.00 99.99 H new ATOM 0 HB3 LEU A 46 -8.176 11.546 -16.104 1.00 99.99 H new ATOM 0 HG LEU A 46 -7.832 9.558 -13.838 1.00 99.99 H new ATOM 0 HD11 LEU A 46 -8.954 11.336 -12.441 1.00 99.99 H new ATOM 0 HD12 LEU A 46 -7.394 11.904 -13.083 1.00 99.99 H new ATOM 0 HD13 LEU A 46 -8.915 12.436 -13.840 1.00 99.99 H new ATOM 0 HD21 LEU A 46 -10.265 9.620 -13.650 1.00 99.99 H new ATOM 0 HD22 LEU A 46 -10.349 10.677 -15.079 1.00 99.99 H new ATOM 0 HD23 LEU A 46 -9.727 9.017 -15.235 1.00 99.99 H new TER 404 LEU A 46 ATOM 405 N SER B 22 -10.396 0.522 18.946 1.00 99.99 N ATOM 406 CA SER B 22 -10.116 1.252 17.676 1.00 99.99 C ATOM 407 C SER B 22 -8.656 1.593 17.532 1.00 99.99 C ATOM 408 O SER B 22 -7.862 1.413 18.456 1.00 99.99 O ATOM 409 CB SER B 22 -11.006 2.530 17.546 1.00 99.99 C ATOM 410 OG SER B 22 -10.756 3.495 18.566 1.00 99.99 O ATOM 0 HA SER B 22 -10.374 0.578 16.859 1.00 99.99 H new ATOM 0 HB2 SER B 22 -10.833 2.988 16.572 1.00 99.99 H new ATOM 0 HB3 SER B 22 -12.056 2.239 17.580 1.00 99.99 H new ATOM 0 HG SER B 22 -11.339 4.271 18.432 1.00 99.99 H new ATOM 415 N SER B 23 -8.280 2.108 16.337 1.00 99.99 N ATOM 416 CA SER B 23 -6.951 2.591 16.048 1.00 99.99 C ATOM 417 C SER B 23 -7.125 4.018 15.596 1.00 99.99 C ATOM 418 O SER B 23 -8.183 4.613 15.802 1.00 99.99 O ATOM 419 CB SER B 23 -6.229 1.747 14.969 1.00 99.99 C ATOM 420 OG SER B 23 -6.048 0.414 15.427 1.00 99.99 O ATOM 0 H SER B 23 -8.920 2.191 15.547 1.00 99.99 H new ATOM 0 HA SER B 23 -6.318 2.516 16.932 1.00 99.99 H new ATOM 0 HB2 SER B 23 -6.811 1.747 14.048 1.00 99.99 H new ATOM 0 HB3 SER B 23 -5.262 2.193 14.735 1.00 99.99 H new ATOM 0 HG SER B 23 -5.592 -0.110 14.736 1.00 99.99 H new ATOM 426 N ASP B 24 -6.068 4.618 14.990 1.00 99.99 N ATOM 427 CA ASP B 24 -6.032 6.024 14.631 1.00 99.99 C ATOM 428 C ASP B 24 -6.637 6.186 13.253 1.00 99.99 C ATOM 429 O ASP B 24 -6.584 5.233 12.483 1.00 99.99 O ATOM 430 CB ASP B 24 -4.581 6.582 14.597 1.00 99.99 C ATOM 431 CG ASP B 24 -3.915 6.505 15.974 1.00 99.99 C ATOM 432 OD1 ASP B 24 -4.640 6.418 17.003 1.00 99.99 O ATOM 433 OD2 ASP B 24 -2.656 6.543 16.012 1.00 99.99 O ATOM 0 H ASP B 24 -5.216 4.116 14.742 1.00 99.99 H new ATOM 0 HA ASP B 24 -6.592 6.577 15.385 1.00 99.99 H new ATOM 0 HB2 ASP B 24 -3.991 6.018 13.875 1.00 99.99 H new ATOM 0 HB3 ASP B 24 -4.597 7.618 14.257 1.00 99.99 H new ATOM 438 N PRO B 25 -7.237 7.316 12.874 1.00 99.99 N ATOM 439 CA PRO B 25 -8.123 7.388 11.722 1.00 99.99 C ATOM 440 C PRO B 25 -7.380 7.360 10.405 1.00 99.99 C ATOM 441 O PRO B 25 -7.985 6.937 9.433 1.00 99.99 O ATOM 442 CB PRO B 25 -8.880 8.715 11.895 1.00 99.99 C ATOM 443 CG PRO B 25 -7.966 9.561 12.784 1.00 99.99 C ATOM 444 CD PRO B 25 -7.339 8.515 13.703 1.00 99.99 C ATOM 0 HA PRO B 25 -8.785 6.523 11.686 1.00 99.99 H new ATOM 0 HB2 PRO B 25 -9.059 9.199 10.935 1.00 99.99 H new ATOM 0 HB3 PRO B 25 -9.854 8.559 12.360 1.00 99.99 H new ATOM 0 HG2 PRO B 25 -7.214 10.093 12.202 1.00 99.99 H new ATOM 0 HG3 PRO B 25 -8.525 10.311 13.344 1.00 99.99 H new ATOM 0 HD2 PRO B 25 -6.360 8.835 14.060 1.00 99.99 H new ATOM 0 HD3 PRO B 25 -7.957 8.338 14.583 1.00 99.99 H new ATOM 452 N LEU B 26 -6.105 7.810 10.356 1.00 99.99 N ATOM 453 CA LEU B 26 -5.186 7.756 9.226 1.00 99.99 C ATOM 454 C LEU B 26 -4.734 6.320 9.010 1.00 99.99 C ATOM 455 O LEU B 26 -4.669 5.890 7.887 1.00 99.99 O ATOM 456 CB LEU B 26 -3.911 8.581 9.452 1.00 99.99 C ATOM 457 CG LEU B 26 -2.788 8.406 8.404 1.00 99.99 C ATOM 458 CD1 LEU B 26 -3.199 8.885 7.010 1.00 99.99 C ATOM 459 CD2 LEU B 26 -1.513 9.124 8.868 1.00 99.99 C ATOM 0 H LEU B 26 -5.674 8.249 11.169 1.00 99.99 H new ATOM 0 HA LEU B 26 -5.730 8.161 8.372 1.00 99.99 H new ATOM 0 HB2 LEU B 26 -4.187 9.635 9.485 1.00 99.99 H new ATOM 0 HB3 LEU B 26 -3.507 8.326 10.432 1.00 99.99 H new ATOM 0 HG LEU B 26 -2.591 7.337 8.321 1.00 99.99 H new ATOM 0 HD11 LEU B 26 -2.371 8.738 6.316 1.00 99.99 H new ATOM 0 HD12 LEU B 26 -4.064 8.315 6.670 1.00 99.99 H new ATOM 0 HD13 LEU B 26 -3.455 9.944 7.050 1.00 99.99 H new ATOM 0 HD21 LEU B 26 -0.730 8.993 8.121 1.00 99.99 H new ATOM 0 HD22 LEU B 26 -1.720 10.187 8.995 1.00 99.99 H new ATOM 0 HD23 LEU B 26 -1.183 8.703 9.818 1.00 99.99 H new ATOM 471 N VAL B 27 -4.445 5.659 10.046 1.00 99.99 N ATOM 472 CA VAL B 27 -3.975 4.280 9.985 1.00 99.99 C ATOM 473 C VAL B 27 -5.087 3.392 9.448 1.00 99.99 C ATOM 474 O VAL B 27 -4.828 2.583 8.592 1.00 99.99 O ATOM 475 CB VAL B 27 -3.598 3.717 11.362 1.00 99.99 C ATOM 476 CG1 VAL B 27 -3.225 2.225 11.259 1.00 99.99 C ATOM 477 CG2 VAL B 27 -2.399 4.506 11.932 1.00 99.99 C ATOM 0 H VAL B 27 -4.517 6.033 10.992 1.00 99.99 H new ATOM 0 HA VAL B 27 -3.093 4.285 9.345 1.00 99.99 H new ATOM 0 HB VAL B 27 -4.458 3.817 12.024 1.00 99.99 H new ATOM 0 HG11 VAL B 27 -2.961 1.847 12.247 1.00 99.99 H new ATOM 0 HG12 VAL B 27 -4.075 1.664 10.870 1.00 99.99 H new ATOM 0 HG13 VAL B 27 -2.375 2.108 10.587 1.00 99.99 H new ATOM 0 HG21 VAL B 27 -2.132 4.106 12.910 1.00 99.99 H new ATOM 0 HG22 VAL B 27 -1.548 4.413 11.257 1.00 99.99 H new ATOM 0 HG23 VAL B 27 -2.670 5.557 12.032 1.00 99.99 H new ATOM 487 N VAL B 28 -6.234 3.557 9.949 1.00 99.99 N ATOM 488 CA VAL B 28 -7.385 2.757 9.547 1.00 99.99 C ATOM 489 C VAL B 28 -7.785 3.130 8.128 1.00 99.99 C ATOM 490 O VAL B 28 -8.060 2.253 7.348 1.00 99.99 O ATOM 491 CB VAL B 28 -8.619 3.004 10.425 1.00 99.99 C ATOM 492 CG1 VAL B 28 -9.859 2.279 9.864 1.00 99.99 C ATOM 493 CG2 VAL B 28 -8.335 2.534 11.865 1.00 99.99 C ATOM 0 H VAL B 28 -6.442 4.254 10.664 1.00 99.99 H new ATOM 0 HA VAL B 28 -7.082 1.714 9.640 1.00 99.99 H new ATOM 0 HB VAL B 28 -8.830 4.073 10.427 1.00 99.99 H new ATOM 0 HG11 VAL B 28 -10.717 2.473 10.508 1.00 99.99 H new ATOM 0 HG12 VAL B 28 -10.070 2.644 8.859 1.00 99.99 H new ATOM 0 HG13 VAL B 28 -9.668 1.206 9.828 1.00 99.99 H new ATOM 0 HG21 VAL B 28 -9.214 2.711 12.485 1.00 99.99 H new ATOM 0 HG22 VAL B 28 -8.102 1.469 11.861 1.00 99.99 H new ATOM 0 HG23 VAL B 28 -7.488 3.089 12.269 1.00 99.99 H new ATOM 503 N ALA B 29 -7.810 4.360 7.853 1.00 99.99 N ATOM 504 CA ALA B 29 -8.202 4.860 6.539 1.00 99.99 C ATOM 505 C ALA B 29 -7.236 4.328 5.491 1.00 99.99 C ATOM 506 O ALA B 29 -7.675 3.940 4.436 1.00 99.99 O ATOM 507 CB ALA B 29 -8.145 6.390 6.441 1.00 99.99 C ATOM 0 H ALA B 29 -7.561 5.092 8.519 1.00 99.99 H new ATOM 0 HA ALA B 29 -9.228 4.527 6.378 1.00 99.99 H new ATOM 0 HB1 ALA B 29 -8.447 6.702 5.441 1.00 99.99 H new ATOM 0 HB2 ALA B 29 -8.820 6.827 7.177 1.00 99.99 H new ATOM 0 HB3 ALA B 29 -7.127 6.729 6.635 1.00 99.99 H new ATOM 513 N ALA B 30 -6.012 4.332 5.796 1.00 99.99 N ATOM 514 CA ALA B 30 -4.977 3.874 4.877 1.00 99.99 C ATOM 515 C ALA B 30 -5.182 2.397 4.581 1.00 99.99 C ATOM 516 O ALA B 30 -4.931 1.981 3.476 1.00 99.99 O ATOM 517 CB ALA B 30 -3.562 4.004 5.459 1.00 99.99 C ATOM 0 H ALA B 30 -5.656 4.652 6.697 1.00 99.99 H new ATOM 0 HA ALA B 30 -5.061 4.499 3.988 1.00 99.99 H new ATOM 0 HB1 ALA B 30 -2.834 3.648 4.730 1.00 99.99 H new ATOM 0 HB2 ALA B 30 -3.359 5.049 5.693 1.00 99.99 H new ATOM 0 HB3 ALA B 30 -3.486 3.407 6.368 1.00 99.99 H new ATOM 523 N SER B 31 -5.610 1.686 5.529 1.00 99.99 N ATOM 524 CA SER B 31 -5.829 0.250 5.393 1.00 99.99 C ATOM 525 C SER B 31 -6.894 0.003 4.335 1.00 99.99 C ATOM 526 O SER B 31 -6.698 -0.835 3.490 1.00 99.99 O ATOM 527 CB SER B 31 -6.340 -0.403 6.683 1.00 99.99 C ATOM 528 OG SER B 31 -5.351 -0.341 7.709 1.00 99.99 O ATOM 0 H SER B 31 -5.834 2.055 6.453 1.00 99.99 H new ATOM 0 HA SER B 31 -4.863 -0.183 5.132 1.00 99.99 H new ATOM 0 HB2 SER B 31 -7.248 0.101 7.016 1.00 99.99 H new ATOM 0 HB3 SER B 31 -6.605 -1.442 6.489 1.00 99.99 H new ATOM 0 HG SER B 31 -5.205 0.593 7.967 1.00 99.99 H new ATOM 534 N ILE B 32 -7.942 0.701 4.415 1.00 99.99 N ATOM 535 CA ILE B 32 -9.053 0.551 3.483 1.00 99.99 C ATOM 536 C ILE B 32 -8.602 0.954 2.087 1.00 99.99 C ATOM 537 O ILE B 32 -9.008 0.336 1.139 1.00 99.99 O ATOM 538 CB ILE B 32 -10.248 1.450 3.830 1.00 99.99 C ATOM 539 CG1 ILE B 32 -10.868 1.018 5.177 1.00 99.99 C ATOM 540 CG2 ILE B 32 -11.316 1.400 2.717 1.00 99.99 C ATOM 541 CD1 ILE B 32 -11.823 2.066 5.762 1.00 99.99 C ATOM 0 H ILE B 32 -8.091 1.415 5.128 1.00 99.99 H new ATOM 0 HA ILE B 32 -9.360 -0.493 3.540 1.00 99.99 H new ATOM 0 HB ILE B 32 -9.888 2.475 3.916 1.00 99.99 H new ATOM 0 HG12 ILE B 32 -11.407 0.081 5.038 1.00 99.99 H new ATOM 0 HG13 ILE B 32 -10.069 0.823 5.892 1.00 99.99 H new ATOM 0 HG21 ILE B 32 -12.152 2.045 2.986 1.00 99.99 H new ATOM 0 HG22 ILE B 32 -10.880 1.743 1.779 1.00 99.99 H new ATOM 0 HG23 ILE B 32 -11.671 0.376 2.599 1.00 99.99 H new ATOM 0 HD11 ILE B 32 -12.226 1.704 6.708 1.00 99.99 H new ATOM 0 HD12 ILE B 32 -11.282 2.997 5.931 1.00 99.99 H new ATOM 0 HD13 ILE B 32 -12.641 2.243 5.064 1.00 99.99 H new ATOM 553 N ILE B 33 -7.816 1.938 2.014 1.00 99.99 N ATOM 554 CA ILE B 33 -7.324 2.452 0.741 1.00 99.99 C ATOM 555 C ILE B 33 -6.542 1.359 0.025 1.00 99.99 C ATOM 556 O ILE B 33 -6.754 1.156 -1.142 1.00 99.99 O ATOM 557 CB ILE B 33 -6.360 3.635 0.904 1.00 99.99 C ATOM 558 CG1 ILE B 33 -7.193 4.928 1.085 1.00 99.99 C ATOM 559 CG2 ILE B 33 -5.394 3.766 -0.287 1.00 99.99 C ATOM 560 CD1 ILE B 33 -6.407 6.126 1.630 1.00 99.99 C ATOM 0 H ILE B 33 -7.468 2.444 2.829 1.00 99.99 H new ATOM 0 HA ILE B 33 -8.203 2.779 0.185 1.00 99.99 H new ATOM 0 HB ILE B 33 -5.740 3.463 1.784 1.00 99.99 H new ATOM 0 HG12 ILE B 33 -7.626 5.202 0.123 1.00 99.99 H new ATOM 0 HG13 ILE B 33 -8.023 4.718 1.760 1.00 99.99 H new ATOM 0 HG21 ILE B 33 -4.732 4.617 -0.126 1.00 99.99 H new ATOM 0 HG22 ILE B 33 -4.801 2.856 -0.376 1.00 99.99 H new ATOM 0 HG23 ILE B 33 -5.965 3.918 -1.203 1.00 99.99 H new ATOM 0 HD11 ILE B 33 -7.071 6.985 1.723 1.00 99.99 H new ATOM 0 HD12 ILE B 33 -5.996 5.877 2.608 1.00 99.99 H new ATOM 0 HD13 ILE B 33 -5.594 6.369 0.946 1.00 99.99 H new ATOM 572 N GLY B 34 -5.701 0.723 0.718 1.00 99.99 N ATOM 573 CA GLY B 34 -4.866 -0.334 0.155 1.00 99.99 C ATOM 574 C GLY B 34 -5.746 -1.497 -0.273 1.00 99.99 C ATOM 575 O GLY B 34 -5.455 -2.117 -1.265 1.00 99.99 O ATOM 0 H GLY B 34 -5.542 0.895 1.711 1.00 99.99 H new ATOM 0 HA2 GLY B 34 -4.305 0.046 -0.699 1.00 99.99 H new ATOM 0 HA3 GLY B 34 -4.136 -0.668 0.892 1.00 99.99 H new ATOM 579 N ILE B 35 -7.025 -1.438 0.062 1.00 99.99 N ATOM 580 CA ILE B 35 -7.897 -2.481 -0.471 1.00 99.99 C ATOM 581 C ILE B 35 -8.587 -1.969 -1.725 1.00 99.99 C ATOM 582 O ILE B 35 -8.622 -2.672 -2.702 1.00 99.99 O ATOM 583 CB ILE B 35 -9.011 -2.884 0.503 1.00 99.99 C ATOM 584 CG1 ILE B 35 -8.403 -3.412 1.827 1.00 99.99 C ATOM 585 CG2 ILE B 35 -9.908 -3.960 -0.145 1.00 99.99 C ATOM 586 CD1 ILE B 35 -9.400 -3.550 2.982 1.00 99.99 C ATOM 0 H ILE B 35 -7.463 -0.735 0.657 1.00 99.99 H new ATOM 0 HA ILE B 35 -7.259 -3.344 -0.663 1.00 99.99 H new ATOM 0 HB ILE B 35 -9.619 -2.008 0.730 1.00 99.99 H new ATOM 0 HG12 ILE B 35 -7.949 -4.385 1.639 1.00 99.99 H new ATOM 0 HG13 ILE B 35 -7.602 -2.741 2.136 1.00 99.99 H new ATOM 0 HG21 ILE B 35 -10.698 -4.243 0.551 1.00 99.99 H new ATOM 0 HG22 ILE B 35 -10.353 -3.562 -1.057 1.00 99.99 H new ATOM 0 HG23 ILE B 35 -9.307 -4.837 -0.388 1.00 99.99 H new ATOM 0 HD11 ILE B 35 -8.884 -3.926 3.865 1.00 99.99 H new ATOM 0 HD12 ILE B 35 -9.837 -2.576 3.204 1.00 99.99 H new ATOM 0 HD13 ILE B 35 -10.190 -4.246 2.700 1.00 99.99 H new ATOM 598 N LEU B 36 -9.093 -0.815 -1.659 1.00 99.99 N ATOM 599 CA LEU B 36 -9.810 -0.211 -2.778 1.00 99.99 C ATOM 600 C LEU B 36 -8.877 -0.113 -3.976 1.00 99.99 C ATOM 601 O LEU B 36 -9.296 -0.398 -5.069 1.00 99.99 O ATOM 602 CB LEU B 36 -10.285 1.217 -2.481 1.00 99.99 C ATOM 603 CG LEU B 36 -10.933 1.960 -3.668 1.00 99.99 C ATOM 604 CD1 LEU B 36 -12.218 1.258 -4.127 1.00 99.99 C ATOM 605 CD2 LEU B 36 -11.210 3.427 -3.313 1.00 99.99 C ATOM 0 H LEU B 36 -9.041 -0.223 -0.830 1.00 99.99 H new ATOM 0 HA LEU B 36 -10.676 -0.845 -2.966 1.00 99.99 H new ATOM 0 HB2 LEU B 36 -11.003 1.180 -1.662 1.00 99.99 H new ATOM 0 HB3 LEU B 36 -9.433 1.800 -2.131 1.00 99.99 H new ATOM 0 HG LEU B 36 -10.226 1.940 -4.497 1.00 99.99 H new ATOM 0 HD11 LEU B 36 -12.652 1.804 -4.964 1.00 99.99 H new ATOM 0 HD12 LEU B 36 -11.985 0.240 -4.440 1.00 99.99 H new ATOM 0 HD13 LEU B 36 -12.931 1.230 -3.303 1.00 99.99 H new ATOM 0 HD21 LEU B 36 -11.667 3.928 -4.167 1.00 99.99 H new ATOM 0 HD22 LEU B 36 -11.887 3.473 -2.460 1.00 99.99 H new ATOM 0 HD23 LEU B 36 -10.273 3.923 -3.060 1.00 99.99 H new ATOM 617 N HIS B 37 -7.610 0.314 -3.770 1.00 99.99 N ATOM 618 CA HIS B 37 -6.623 0.507 -4.806 1.00 99.99 C ATOM 619 C HIS B 37 -6.328 -0.801 -5.490 1.00 99.99 C ATOM 620 O HIS B 37 -5.993 -0.830 -6.673 1.00 99.99 O ATOM 621 CB HIS B 37 -5.307 1.081 -4.229 1.00 99.99 C ATOM 622 CG HIS B 37 -4.296 1.482 -5.273 1.00 99.99 C ATOM 623 ND1 HIS B 37 -2.980 1.707 -4.972 1.00 99.99 N ATOM 624 CD2 HIS B 37 -4.452 1.741 -6.593 1.00 99.99 C ATOM 625 CE1 HIS B 37 -2.356 2.081 -6.081 1.00 99.99 C ATOM 626 NE2 HIS B 37 -3.227 2.109 -7.080 1.00 99.99 N ATOM 0 H HIS B 37 -7.255 0.535 -2.840 1.00 99.99 H new ATOM 0 HA HIS B 37 -7.032 1.219 -5.523 1.00 99.99 H new ATOM 0 HB2 HIS B 37 -5.542 1.950 -3.614 1.00 99.99 H new ATOM 0 HB3 HIS B 37 -4.857 0.337 -3.571 1.00 99.99 H new ATOM 0 HD2 HIS B 37 -5.371 1.670 -7.156 1.00 99.99 H new ATOM 0 HE1 HIS B 37 -1.306 2.324 -6.158 1.00 99.99 H new ATOM 0 HE2 HIS B 37 -3.020 2.362 -8.046 1.00 99.99 H new ATOM 634 N LEU B 38 -6.492 -1.922 -4.748 1.00 99.99 N ATOM 635 CA LEU B 38 -6.258 -3.265 -5.265 1.00 99.99 C ATOM 636 C LEU B 38 -7.384 -3.641 -6.217 1.00 99.99 C ATOM 637 O LEU B 38 -7.113 -4.173 -7.264 1.00 99.99 O ATOM 638 CB LEU B 38 -6.244 -4.337 -4.166 1.00 99.99 C ATOM 639 CG LEU B 38 -6.022 -5.770 -4.706 1.00 99.99 C ATOM 640 CD1 LEU B 38 -4.691 -5.894 -5.461 1.00 99.99 C ATOM 641 CD2 LEU B 38 -6.108 -6.822 -3.600 1.00 99.99 C ATOM 0 H LEU B 38 -6.791 -1.906 -3.773 1.00 99.99 H new ATOM 0 HA LEU B 38 -5.283 -3.239 -5.752 1.00 99.99 H new ATOM 0 HB2 LEU B 38 -5.457 -4.101 -3.449 1.00 99.99 H new ATOM 0 HB3 LEU B 38 -7.189 -4.303 -3.624 1.00 99.99 H new ATOM 0 HG LEU B 38 -6.832 -5.961 -5.410 1.00 99.99 H new ATOM 0 HD11 LEU B 38 -4.572 -6.915 -5.824 1.00 99.99 H new ATOM 0 HD12 LEU B 38 -4.686 -5.205 -6.306 1.00 99.99 H new ATOM 0 HD13 LEU B 38 -3.868 -5.650 -4.790 1.00 99.99 H new ATOM 0 HD21 LEU B 38 -5.946 -7.812 -4.026 1.00 99.99 H new ATOM 0 HD22 LEU B 38 -5.346 -6.622 -2.847 1.00 99.99 H new ATOM 0 HD23 LEU B 38 -7.094 -6.783 -3.137 1.00 99.99 H new ATOM 653 N ILE B 39 -8.555 -3.369 -5.840 1.00 99.99 N ATOM 654 CA ILE B 39 -9.730 -3.698 -6.640 1.00 99.99 C ATOM 655 C ILE B 39 -9.717 -2.867 -7.914 1.00 99.99 C ATOM 656 O ILE B 39 -9.991 -3.398 -8.962 1.00 99.99 O ATOM 657 CB ILE B 39 -11.050 -3.374 -5.925 1.00 99.99 C ATOM 658 CG1 ILE B 39 -11.231 -4.310 -4.709 1.00 99.99 C ATOM 659 CG2 ILE B 39 -12.236 -3.520 -6.901 1.00 99.99 C ATOM 660 CD1 ILE B 39 -12.429 -3.946 -3.822 1.00 99.99 C ATOM 0 H ILE B 39 -8.770 -2.904 -4.958 1.00 99.99 H new ATOM 0 HA ILE B 39 -9.680 -4.770 -6.832 1.00 99.99 H new ATOM 0 HB ILE B 39 -11.020 -2.343 -5.573 1.00 99.99 H new ATOM 0 HG12 ILE B 39 -11.351 -5.333 -5.064 1.00 99.99 H new ATOM 0 HG13 ILE B 39 -10.323 -4.287 -4.106 1.00 99.99 H new ATOM 0 HG21 ILE B 39 -13.166 -3.288 -6.381 1.00 99.99 H new ATOM 0 HG22 ILE B 39 -12.106 -2.833 -7.737 1.00 99.99 H new ATOM 0 HG23 ILE B 39 -12.276 -4.543 -7.275 1.00 99.99 H new ATOM 0 HD11 ILE B 39 -12.492 -4.647 -2.990 1.00 99.99 H new ATOM 0 HD12 ILE B 39 -12.302 -2.935 -3.436 1.00 99.99 H new ATOM 0 HD13 ILE B 39 -13.346 -3.998 -4.409 1.00 99.99 H new ATOM 672 N LEU B 40 -9.424 -1.648 -7.791 1.00 99.99 N ATOM 673 CA LEU B 40 -9.399 -0.731 -8.923 1.00 99.99 C ATOM 674 C LEU B 40 -8.379 -1.216 -9.943 1.00 99.99 C ATOM 675 O LEU B 40 -8.671 -1.207 -11.113 1.00 99.99 O ATOM 676 CB LEU B 40 -8.976 0.691 -8.533 1.00 99.99 C ATOM 677 CG LEU B 40 -10.005 1.487 -7.700 1.00 99.99 C ATOM 678 CD1 LEU B 40 -9.400 2.843 -7.287 1.00 99.99 C ATOM 679 CD2 LEU B 40 -11.322 1.710 -8.455 1.00 99.99 C ATOM 0 H LEU B 40 -9.184 -1.214 -6.900 1.00 99.99 H new ATOM 0 HA LEU B 40 -10.415 -0.708 -9.318 1.00 99.99 H new ATOM 0 HB2 LEU B 40 -8.045 0.632 -7.969 1.00 99.99 H new ATOM 0 HB3 LEU B 40 -8.762 1.250 -9.444 1.00 99.99 H new ATOM 0 HG LEU B 40 -10.237 0.895 -6.814 1.00 99.99 H new ATOM 0 HD11 LEU B 40 -10.128 3.402 -6.700 1.00 99.99 H new ATOM 0 HD12 LEU B 40 -8.504 2.675 -6.690 1.00 99.99 H new ATOM 0 HD13 LEU B 40 -9.140 3.412 -8.179 1.00 99.99 H new ATOM 0 HD21 LEU B 40 -12.011 2.274 -7.826 1.00 99.99 H new ATOM 0 HD22 LEU B 40 -11.127 2.268 -9.371 1.00 99.99 H new ATOM 0 HD23 LEU B 40 -11.766 0.746 -8.705 1.00 99.99 H new ATOM 691 N TRP B 41 -7.267 -1.602 -9.489 1.00 99.99 N ATOM 692 CA TRP B 41 -6.189 -2.067 -10.354 1.00 99.99 C ATOM 693 C TRP B 41 -6.603 -3.375 -11.011 1.00 99.99 C ATOM 694 O TRP B 41 -6.363 -3.546 -12.180 1.00 99.99 O ATOM 695 CB TRP B 41 -4.891 -2.356 -9.587 1.00 99.99 C ATOM 696 CG TRP B 41 -3.722 -2.740 -10.476 1.00 99.99 C ATOM 697 CD1 TRP B 41 -2.949 -1.904 -11.223 1.00 99.99 C ATOM 698 CD2 TRP B 41 -3.289 -4.078 -10.775 1.00 99.99 C ATOM 699 NE1 TRP B 41 -2.006 -2.617 -11.907 1.00 99.99 N ATOM 700 CE2 TRP B 41 -2.220 -3.956 -11.682 1.00 99.99 C ATOM 701 CE3 TRP B 41 -3.731 -5.327 -10.326 1.00 99.99 C ATOM 702 CZ2 TRP B 41 -1.555 -5.080 -12.149 1.00 99.99 C ATOM 703 CZ3 TRP B 41 -3.066 -6.455 -10.811 1.00 99.99 C ATOM 704 CH2 TRP B 41 -1.990 -6.341 -11.709 1.00 99.99 C ATOM 0 H TRP B 41 -7.039 -1.619 -8.495 1.00 99.99 H new ATOM 0 HA TRP B 41 -6.008 -1.271 -11.076 1.00 99.99 H new ATOM 0 HB2 TRP B 41 -4.619 -1.474 -9.007 1.00 99.99 H new ATOM 0 HB3 TRP B 41 -5.073 -3.161 -8.875 1.00 99.99 H new ATOM 0 HD1 TRP B 41 -3.065 -0.831 -11.268 1.00 99.99 H new ATOM 0 HE1 TRP B 41 -1.266 -2.222 -12.488 1.00 99.99 H new ATOM 0 HE3 TRP B 41 -4.554 -5.415 -9.632 1.00 99.99 H new ATOM 0 HZ2 TRP B 41 -0.724 -4.988 -12.833 1.00 99.99 H new ATOM 0 HZ3 TRP B 41 -3.385 -7.436 -10.490 1.00 99.99 H new ATOM 0 HH2 TRP B 41 -1.493 -7.232 -12.064 1.00 99.99 H new ATOM 715 N ILE B 42 -7.174 -4.222 -10.270 1.00 99.99 N ATOM 716 CA ILE B 42 -7.599 -5.530 -10.761 1.00 99.99 C ATOM 717 C ILE B 42 -8.700 -5.343 -11.794 1.00 99.99 C ATOM 718 O ILE B 42 -8.676 -6.005 -12.801 1.00 99.99 O ATOM 719 CB ILE B 42 -8.186 -6.419 -9.660 1.00 99.99 C ATOM 720 CG1 ILE B 42 -7.066 -6.890 -8.703 1.00 99.99 C ATOM 721 CG2 ILE B 42 -8.916 -7.637 -10.266 1.00 99.99 C ATOM 722 CD1 ILE B 42 -7.579 -7.711 -7.510 1.00 99.99 C ATOM 0 H ILE B 42 -7.380 -4.061 -9.284 1.00 99.99 H new ATOM 0 HA ILE B 42 -6.709 -6.008 -11.171 1.00 99.99 H new ATOM 0 HB ILE B 42 -8.912 -5.832 -9.097 1.00 99.99 H new ATOM 0 HG12 ILE B 42 -6.349 -7.489 -9.264 1.00 99.99 H new ATOM 0 HG13 ILE B 42 -6.529 -6.018 -8.329 1.00 99.99 H new ATOM 0 HG21 ILE B 42 -9.324 -8.253 -9.464 1.00 99.99 H new ATOM 0 HG22 ILE B 42 -9.727 -7.293 -10.908 1.00 99.99 H new ATOM 0 HG23 ILE B 42 -8.213 -8.227 -10.854 1.00 99.99 H new ATOM 0 HD11 ILE B 42 -6.738 -8.006 -6.883 1.00 99.99 H new ATOM 0 HD12 ILE B 42 -8.273 -7.108 -6.925 1.00 99.99 H new ATOM 0 HD13 ILE B 42 -8.090 -8.602 -7.874 1.00 99.99 H new ATOM 734 N LEU B 43 -9.594 -4.495 -11.522 1.00 99.99 N ATOM 735 CA LEU B 43 -10.720 -4.236 -12.410 1.00 99.99 C ATOM 736 C LEU B 43 -10.208 -3.640 -13.713 1.00 99.99 C ATOM 737 O LEU B 43 -10.754 -3.934 -14.746 1.00 99.99 O ATOM 738 CB LEU B 43 -11.715 -3.221 -11.831 1.00 99.99 C ATOM 739 CG LEU B 43 -12.521 -3.739 -10.617 1.00 99.99 C ATOM 740 CD1 LEU B 43 -13.282 -2.579 -9.949 1.00 99.99 C ATOM 741 CD2 LEU B 43 -13.503 -4.854 -11.010 1.00 99.99 C ATOM 0 H LEU B 43 -9.598 -3.933 -10.671 1.00 99.99 H new ATOM 0 HA LEU B 43 -11.223 -5.192 -12.552 1.00 99.99 H new ATOM 0 HB2 LEU B 43 -11.170 -2.325 -11.534 1.00 99.99 H new ATOM 0 HB3 LEU B 43 -12.412 -2.925 -12.615 1.00 99.99 H new ATOM 0 HG LEU B 43 -11.808 -4.162 -9.910 1.00 99.99 H new ATOM 0 HD11 LEU B 43 -13.845 -2.957 -9.096 1.00 99.99 H new ATOM 0 HD12 LEU B 43 -12.571 -1.825 -9.610 1.00 99.99 H new ATOM 0 HD13 LEU B 43 -13.969 -2.132 -10.668 1.00 99.99 H new ATOM 0 HD21 LEU B 43 -14.047 -5.187 -10.127 1.00 99.99 H new ATOM 0 HD22 LEU B 43 -14.208 -4.474 -11.749 1.00 99.99 H new ATOM 0 HD23 LEU B 43 -12.951 -5.693 -11.434 1.00 99.99 H new ATOM 753 N ASP B 44 -9.229 -2.849 -13.625 1.00 99.99 N ATOM 754 CA ASP B 44 -8.654 -2.186 -14.788 1.00 99.99 C ATOM 755 C ASP B 44 -7.988 -3.224 -15.682 1.00 99.99 C ATOM 756 O ASP B 44 -8.114 -3.134 -16.878 1.00 99.99 O ATOM 757 CB ASP B 44 -7.565 -1.169 -14.421 1.00 99.99 C ATOM 758 CG ASP B 44 -7.028 -0.411 -15.650 1.00 99.99 C ATOM 759 OD1 ASP B 44 -7.803 0.370 -16.253 1.00 99.99 O ATOM 760 OD2 ASP B 44 -5.815 -0.558 -15.986 1.00 99.99 O ATOM 0 H ASP B 44 -8.770 -2.615 -12.744 1.00 99.99 H new ATOM 0 HA ASP B 44 -9.477 -1.668 -15.281 1.00 99.99 H new ATOM 0 HB2 ASP B 44 -7.967 -0.453 -13.704 1.00 99.99 H new ATOM 0 HB3 ASP B 44 -6.741 -1.685 -13.928 1.00 99.99 H new ATOM 765 N ARG B 45 -7.327 -4.127 -15.102 1.00 99.99 N ATOM 766 CA ARG B 45 -6.619 -5.171 -15.835 1.00 99.99 C ATOM 767 C ARG B 45 -7.623 -6.026 -16.593 1.00 99.99 C ATOM 768 O ARG B 45 -7.386 -6.333 -17.734 1.00 99.99 O ATOM 769 CB ARG B 45 -5.845 -6.126 -14.916 1.00 99.99 C ATOM 770 CG ARG B 45 -4.689 -5.450 -14.151 1.00 99.99 C ATOM 771 CD ARG B 45 -3.463 -5.174 -15.031 1.00 99.99 C ATOM 772 NE ARG B 45 -3.568 -3.772 -15.574 1.00 99.99 N ATOM 773 CZ ARG B 45 -2.902 -3.401 -16.684 1.00 99.99 C ATOM 774 NH1 ARG B 45 -2.099 -4.255 -17.342 1.00 99.99 N ATOM 775 NH2 ARG B 45 -3.032 -2.134 -17.111 1.00 99.99 N ATOM 0 H ARG B 45 -7.237 -4.197 -14.088 1.00 99.99 H new ATOM 0 HA ARG B 45 -5.918 -4.659 -16.494 1.00 99.99 H new ATOM 0 HB2 ARG B 45 -6.537 -6.565 -14.197 1.00 99.99 H new ATOM 0 HB3 ARG B 45 -5.444 -6.945 -15.513 1.00 99.99 H new ATOM 0 HG2 ARG B 45 -5.043 -4.510 -13.727 1.00 99.99 H new ATOM 0 HG3 ARG B 45 -4.394 -6.085 -13.316 1.00 99.99 H new ATOM 0 HD2 ARG B 45 -2.547 -5.288 -14.451 1.00 99.99 H new ATOM 0 HD3 ARG B 45 -3.414 -5.894 -15.848 1.00 99.99 H new ATOM 0 HE ARG B 45 -4.155 -3.091 -15.092 1.00 99.99 H new ATOM 0 HH11 ARG B 45 -1.983 -5.210 -17.003 1.00 99.99 H new ATOM 0 HH12 ARG B 45 -1.606 -3.948 -18.181 1.00 99.99 H new ATOM 0 HH21 ARG B 45 -3.624 -1.481 -16.597 1.00 99.99 H new ATOM 0 HH22 ARG B 45 -2.539 -1.825 -17.949 1.00 99.99 H new ATOM 789 N LEU B 46 -8.660 -6.370 -15.963 1.00 99.99 N ATOM 790 CA LEU B 46 -9.693 -7.209 -16.559 1.00 99.99 C ATOM 791 C LEU B 46 -10.364 -6.452 -17.695 1.00 99.99 C ATOM 792 O LEU B 46 -11.049 -5.455 -17.474 1.00 99.99 O ATOM 793 CB LEU B 46 -10.806 -7.581 -15.570 1.00 99.99 C ATOM 794 CG LEU B 46 -10.395 -8.359 -14.296 1.00 99.99 C ATOM 795 CD1 LEU B 46 -11.606 -8.409 -13.346 1.00 99.99 C ATOM 796 CD2 LEU B 46 -9.891 -9.777 -14.586 1.00 99.99 C ATOM 0 H LEU B 46 -8.854 -6.092 -15.001 1.00 99.99 H new ATOM 0 HA LEU B 46 -9.192 -8.117 -16.894 1.00 99.99 H new ATOM 0 HB2 LEU B 46 -11.301 -6.661 -15.258 1.00 99.99 H new ATOM 0 HB3 LEU B 46 -11.546 -8.176 -16.104 1.00 99.99 H new ATOM 0 HG LEU B 46 -9.558 -7.832 -13.838 1.00 99.99 H new ATOM 0 HD11 LEU B 46 -11.336 -8.954 -12.441 1.00 99.99 H new ATOM 0 HD12 LEU B 46 -11.904 -7.394 -13.083 1.00 99.99 H new ATOM 0 HD13 LEU B 46 -12.436 -8.915 -13.840 1.00 99.99 H new ATOM 0 HD21 LEU B 46 -9.620 -10.265 -13.650 1.00 99.99 H new ATOM 0 HD22 LEU B 46 -10.677 -10.349 -15.079 1.00 99.99 H new ATOM 0 HD23 LEU B 46 -9.017 -9.727 -15.235 1.00 99.99 H new TER 808 LEU B 46 ATOM 809 N SER C 22 -0.522 -10.396 18.946 1.00 99.99 N ATOM 810 CA SER C 22 -1.252 -10.116 17.676 1.00 99.99 C ATOM 811 C SER C 22 -1.593 -8.656 17.532 1.00 99.99 C ATOM 812 O SER C 22 -1.413 -7.862 18.456 1.00 99.99 O ATOM 813 CB SER C 22 -2.530 -11.006 17.546 1.00 99.99 C ATOM 814 OG SER C 22 -3.495 -10.756 18.566 1.00 99.99 O ATOM 0 HA SER C 22 -0.578 -10.374 16.859 1.00 99.99 H new ATOM 0 HB2 SER C 22 -2.988 -10.833 16.572 1.00 99.99 H new ATOM 0 HB3 SER C 22 -2.239 -12.056 17.580 1.00 99.99 H new ATOM 0 HG SER C 22 -4.271 -11.339 18.432 1.00 99.99 H new ATOM 819 N SER C 23 -2.108 -8.280 16.337 1.00 99.99 N ATOM 820 CA SER C 23 -2.591 -6.951 16.048 1.00 99.99 C ATOM 821 C SER C 23 -4.018 -7.125 15.596 1.00 99.99 C ATOM 822 O SER C 23 -4.613 -8.183 15.802 1.00 99.99 O ATOM 823 CB SER C 23 -1.747 -6.229 14.969 1.00 99.99 C ATOM 824 OG SER C 23 -0.414 -6.048 15.427 1.00 99.99 O ATOM 0 H SER C 23 -2.191 -8.920 15.547 1.00 99.99 H new ATOM 0 HA SER C 23 -2.516 -6.318 16.932 1.00 99.99 H new ATOM 0 HB2 SER C 23 -1.747 -6.811 14.048 1.00 99.99 H new ATOM 0 HB3 SER C 23 -2.193 -5.262 14.735 1.00 99.99 H new ATOM 0 HG SER C 23 0.110 -5.592 14.736 1.00 99.99 H new ATOM 830 N ASP C 24 -4.618 -6.068 14.990 1.00 99.99 N ATOM 831 CA ASP C 24 -6.024 -6.032 14.631 1.00 99.99 C ATOM 832 C ASP C 24 -6.186 -6.637 13.253 1.00 99.99 C ATOM 833 O ASP C 24 -5.233 -6.584 12.483 1.00 99.99 O ATOM 834 CB ASP C 24 -6.582 -4.581 14.597 1.00 99.99 C ATOM 835 CG ASP C 24 -6.505 -3.915 15.974 1.00 99.99 C ATOM 836 OD1 ASP C 24 -6.418 -4.640 17.003 1.00 99.99 O ATOM 837 OD2 ASP C 24 -6.543 -2.656 16.012 1.00 99.99 O ATOM 0 H ASP C 24 -4.116 -5.216 14.742 1.00 99.99 H new ATOM 0 HA ASP C 24 -6.577 -6.592 15.385 1.00 99.99 H new ATOM 0 HB2 ASP C 24 -6.018 -3.991 13.875 1.00 99.99 H new ATOM 0 HB3 ASP C 24 -7.618 -4.597 14.257 1.00 99.99 H new ATOM 842 N PRO C 25 -7.316 -7.237 12.874 1.00 99.99 N ATOM 843 CA PRO C 25 -7.388 -8.123 11.722 1.00 99.99 C ATOM 844 C PRO C 25 -7.360 -7.380 10.405 1.00 99.99 C ATOM 845 O PRO C 25 -6.937 -7.985 9.433 1.00 99.99 O ATOM 846 CB PRO C 25 -8.715 -8.880 11.895 1.00 99.99 C ATOM 847 CG PRO C 25 -9.561 -7.966 12.784 1.00 99.99 C ATOM 848 CD PRO C 25 -8.515 -7.339 13.703 1.00 99.99 C ATOM 0 HA PRO C 25 -6.523 -8.785 11.686 1.00 99.99 H new ATOM 0 HB2 PRO C 25 -9.199 -9.059 10.935 1.00 99.99 H new ATOM 0 HB3 PRO C 25 -8.559 -9.854 12.360 1.00 99.99 H new ATOM 0 HG2 PRO C 25 -10.093 -7.214 12.202 1.00 99.99 H new ATOM 0 HG3 PRO C 25 -10.311 -8.525 13.344 1.00 99.99 H new ATOM 0 HD2 PRO C 25 -8.835 -6.360 14.060 1.00 99.99 H new ATOM 0 HD3 PRO C 25 -8.338 -7.957 14.583 1.00 99.99 H new ATOM 856 N LEU C 26 -7.810 -6.105 10.356 1.00 99.99 N ATOM 857 CA LEU C 26 -7.756 -5.186 9.226 1.00 99.99 C ATOM 858 C LEU C 26 -6.320 -4.734 9.010 1.00 99.99 C ATOM 859 O LEU C 26 -5.890 -4.669 7.887 1.00 99.99 O ATOM 860 CB LEU C 26 -8.581 -3.911 9.452 1.00 99.99 C ATOM 861 CG LEU C 26 -8.406 -2.788 8.404 1.00 99.99 C ATOM 862 CD1 LEU C 26 -8.885 -3.199 7.010 1.00 99.99 C ATOM 863 CD2 LEU C 26 -9.124 -1.513 8.868 1.00 99.99 C ATOM 0 H LEU C 26 -8.249 -5.674 11.169 1.00 99.99 H new ATOM 0 HA LEU C 26 -8.161 -5.730 8.372 1.00 99.99 H new ATOM 0 HB2 LEU C 26 -9.635 -4.187 9.485 1.00 99.99 H new ATOM 0 HB3 LEU C 26 -8.326 -3.507 10.432 1.00 99.99 H new ATOM 0 HG LEU C 26 -7.337 -2.591 8.321 1.00 99.99 H new ATOM 0 HD11 LEU C 26 -8.738 -2.371 6.316 1.00 99.99 H new ATOM 0 HD12 LEU C 26 -8.315 -4.064 6.670 1.00 99.99 H new ATOM 0 HD13 LEU C 26 -9.944 -3.455 7.050 1.00 99.99 H new ATOM 0 HD21 LEU C 26 -8.993 -0.730 8.121 1.00 99.99 H new ATOM 0 HD22 LEU C 26 -10.187 -1.720 8.995 1.00 99.99 H new ATOM 0 HD23 LEU C 26 -8.703 -1.183 9.818 1.00 99.99 H new ATOM 875 N VAL C 27 -5.659 -4.445 10.046 1.00 99.99 N ATOM 876 CA VAL C 27 -4.280 -3.975 9.985 1.00 99.99 C ATOM 877 C VAL C 27 -3.392 -5.087 9.448 1.00 99.99 C ATOM 878 O VAL C 27 -2.583 -4.828 8.592 1.00 99.99 O ATOM 879 CB VAL C 27 -3.717 -3.598 11.362 1.00 99.99 C ATOM 880 CG1 VAL C 27 -2.225 -3.225 11.259 1.00 99.99 C ATOM 881 CG2 VAL C 27 -4.506 -2.399 11.932 1.00 99.99 C ATOM 0 H VAL C 27 -6.033 -4.517 10.992 1.00 99.99 H new ATOM 0 HA VAL C 27 -4.285 -3.093 9.345 1.00 99.99 H new ATOM 0 HB VAL C 27 -3.817 -4.458 12.024 1.00 99.99 H new ATOM 0 HG11 VAL C 27 -1.847 -2.961 12.247 1.00 99.99 H new ATOM 0 HG12 VAL C 27 -1.664 -4.075 10.870 1.00 99.99 H new ATOM 0 HG13 VAL C 27 -2.108 -2.375 10.587 1.00 99.99 H new ATOM 0 HG21 VAL C 27 -4.106 -2.132 12.910 1.00 99.99 H new ATOM 0 HG22 VAL C 27 -4.413 -1.548 11.257 1.00 99.99 H new ATOM 0 HG23 VAL C 27 -5.557 -2.670 12.032 1.00 99.99 H new ATOM 891 N VAL C 28 -3.557 -6.234 9.949 1.00 99.99 N ATOM 892 CA VAL C 28 -2.757 -7.385 9.547 1.00 99.99 C ATOM 893 C VAL C 28 -3.130 -7.785 8.128 1.00 99.99 C ATOM 894 O VAL C 28 -2.253 -8.060 7.348 1.00 99.99 O ATOM 895 CB VAL C 28 -3.004 -8.619 10.425 1.00 99.99 C ATOM 896 CG1 VAL C 28 -2.279 -9.859 9.864 1.00 99.99 C ATOM 897 CG2 VAL C 28 -2.534 -8.335 11.865 1.00 99.99 C ATOM 0 H VAL C 28 -4.254 -6.442 10.664 1.00 99.99 H new ATOM 0 HA VAL C 28 -1.714 -7.082 9.640 1.00 99.99 H new ATOM 0 HB VAL C 28 -4.073 -8.830 10.427 1.00 99.99 H new ATOM 0 HG11 VAL C 28 -2.473 -10.717 10.508 1.00 99.99 H new ATOM 0 HG12 VAL C 28 -2.644 -10.070 8.859 1.00 99.99 H new ATOM 0 HG13 VAL C 28 -1.206 -9.668 9.828 1.00 99.99 H new ATOM 0 HG21 VAL C 28 -2.711 -9.214 12.485 1.00 99.99 H new ATOM 0 HG22 VAL C 28 -1.469 -8.102 11.861 1.00 99.99 H new ATOM 0 HG23 VAL C 28 -3.089 -7.488 12.269 1.00 99.99 H new ATOM 907 N ALA C 29 -4.360 -7.810 7.853 1.00 99.99 N ATOM 908 CA ALA C 29 -4.860 -8.202 6.539 1.00 99.99 C ATOM 909 C ALA C 29 -4.328 -7.236 5.491 1.00 99.99 C ATOM 910 O ALA C 29 -3.940 -7.675 4.436 1.00 99.99 O ATOM 911 CB ALA C 29 -6.390 -8.145 6.441 1.00 99.99 C ATOM 0 H ALA C 29 -5.092 -7.561 8.519 1.00 99.99 H new ATOM 0 HA ALA C 29 -4.527 -9.228 6.378 1.00 99.99 H new ATOM 0 HB1 ALA C 29 -6.702 -8.447 5.441 1.00 99.99 H new ATOM 0 HB2 ALA C 29 -6.827 -8.820 7.177 1.00 99.99 H new ATOM 0 HB3 ALA C 29 -6.729 -7.127 6.635 1.00 99.99 H new ATOM 917 N ALA C 30 -4.332 -6.012 5.796 1.00 99.99 N ATOM 918 CA ALA C 30 -3.874 -4.977 4.877 1.00 99.99 C ATOM 919 C ALA C 30 -2.397 -5.182 4.581 1.00 99.99 C ATOM 920 O ALA C 30 -1.981 -4.931 3.476 1.00 99.99 O ATOM 921 CB ALA C 30 -4.004 -3.562 5.459 1.00 99.99 C ATOM 0 H ALA C 30 -4.652 -5.656 6.697 1.00 99.99 H new ATOM 0 HA ALA C 30 -4.499 -5.061 3.988 1.00 99.99 H new ATOM 0 HB1 ALA C 30 -3.648 -2.834 4.730 1.00 99.99 H new ATOM 0 HB2 ALA C 30 -5.049 -3.359 5.693 1.00 99.99 H new ATOM 0 HB3 ALA C 30 -3.407 -3.486 6.368 1.00 99.99 H new ATOM 927 N SER C 31 -1.686 -5.610 5.529 1.00 99.99 N ATOM 928 CA SER C 31 -0.250 -5.829 5.393 1.00 99.99 C ATOM 929 C SER C 31 -0.003 -6.894 4.335 1.00 99.99 C ATOM 930 O SER C 31 0.835 -6.698 3.490 1.00 99.99 O ATOM 931 CB SER C 31 0.403 -6.340 6.683 1.00 99.99 C ATOM 932 OG SER C 31 0.341 -5.351 7.709 1.00 99.99 O ATOM 0 H SER C 31 -2.055 -5.834 6.453 1.00 99.99 H new ATOM 0 HA SER C 31 0.183 -4.863 5.132 1.00 99.99 H new ATOM 0 HB2 SER C 31 -0.101 -7.248 7.016 1.00 99.99 H new ATOM 0 HB3 SER C 31 1.442 -6.605 6.489 1.00 99.99 H new ATOM 0 HG SER C 31 -0.592 -5.217 7.978 1.00 99.99 H new ATOM 938 N ILE C 32 -0.701 -7.942 4.415 1.00 99.99 N ATOM 939 CA ILE C 32 -0.551 -9.053 3.483 1.00 99.99 C ATOM 940 C ILE C 32 -0.954 -8.602 2.087 1.00 99.99 C ATOM 941 O ILE C 32 -0.336 -9.008 1.139 1.00 99.99 O ATOM 942 CB ILE C 32 -1.450 -10.248 3.830 1.00 99.99 C ATOM 943 CG1 ILE C 32 -1.018 -10.868 5.177 1.00 99.99 C ATOM 944 CG2 ILE C 32 -1.400 -11.316 2.717 1.00 99.99 C ATOM 945 CD1 ILE C 32 -2.066 -11.823 5.762 1.00 99.99 C ATOM 0 H ILE C 32 -1.415 -8.091 5.128 1.00 99.99 H new ATOM 0 HA ILE C 32 0.493 -9.360 3.540 1.00 99.99 H new ATOM 0 HB ILE C 32 -2.475 -9.888 3.916 1.00 99.99 H new ATOM 0 HG12 ILE C 32 -0.081 -11.407 5.038 1.00 99.99 H new ATOM 0 HG13 ILE C 32 -0.823 -10.069 5.892 1.00 99.99 H new ATOM 0 HG21 ILE C 32 -2.045 -12.152 2.986 1.00 99.99 H new ATOM 0 HG22 ILE C 32 -1.743 -10.880 1.779 1.00 99.99 H new ATOM 0 HG23 ILE C 32 -0.376 -11.671 2.599 1.00 99.99 H new ATOM 0 HD11 ILE C 32 -1.704 -12.226 6.708 1.00 99.99 H new ATOM 0 HD12 ILE C 32 -2.997 -11.282 5.931 1.00 99.99 H new ATOM 0 HD13 ILE C 32 -2.243 -12.641 5.064 1.00 99.99 H new ATOM 957 N ILE C 33 -1.938 -7.816 2.014 1.00 99.99 N ATOM 958 CA ILE C 33 -2.452 -7.324 0.741 1.00 99.99 C ATOM 959 C ILE C 33 -1.359 -6.542 0.025 1.00 99.99 C ATOM 960 O ILE C 33 -1.156 -6.754 -1.142 1.00 99.99 O ATOM 961 CB ILE C 33 -3.635 -6.360 0.904 1.00 99.99 C ATOM 962 CG1 ILE C 33 -4.928 -7.193 1.085 1.00 99.99 C ATOM 963 CG2 ILE C 33 -3.766 -5.394 -0.287 1.00 99.99 C ATOM 964 CD1 ILE C 33 -6.126 -6.407 1.630 1.00 99.99 C ATOM 0 H ILE C 33 -2.444 -7.468 2.829 1.00 99.99 H new ATOM 0 HA ILE C 33 -2.779 -8.203 0.185 1.00 99.99 H new ATOM 0 HB ILE C 33 -3.463 -5.740 1.784 1.00 99.99 H new ATOM 0 HG12 ILE C 33 -5.202 -7.626 0.123 1.00 99.99 H new ATOM 0 HG13 ILE C 33 -4.718 -8.023 1.760 1.00 99.99 H new ATOM 0 HG21 ILE C 33 -4.617 -4.732 -0.126 1.00 99.99 H new ATOM 0 HG22 ILE C 33 -2.856 -4.801 -0.376 1.00 99.99 H new ATOM 0 HG23 ILE C 33 -3.918 -5.965 -1.203 1.00 99.99 H new ATOM 0 HD11 ILE C 33 -6.985 -7.071 1.723 1.00 99.99 H new ATOM 0 HD12 ILE C 33 -5.877 -5.996 2.608 1.00 99.99 H new ATOM 0 HD13 ILE C 33 -6.369 -5.594 0.946 1.00 99.99 H new ATOM 976 N GLY C 34 -0.723 -5.701 0.718 1.00 99.99 N ATOM 977 CA GLY C 34 0.334 -4.866 0.155 1.00 99.99 C ATOM 978 C GLY C 34 1.497 -5.746 -0.273 1.00 99.99 C ATOM 979 O GLY C 34 2.117 -5.455 -1.265 1.00 99.99 O ATOM 0 H GLY C 34 -0.895 -5.542 1.711 1.00 99.99 H new ATOM 0 HA2 GLY C 34 -0.046 -4.305 -0.699 1.00 99.99 H new ATOM 0 HA3 GLY C 34 0.668 -4.136 0.892 1.00 99.99 H new ATOM 983 N ILE C 35 1.438 -7.025 0.062 1.00 99.99 N ATOM 984 CA ILE C 35 2.481 -7.897 -0.471 1.00 99.99 C ATOM 985 C ILE C 35 1.969 -8.587 -1.725 1.00 99.99 C ATOM 986 O ILE C 35 2.672 -8.622 -2.702 1.00 99.99 O ATOM 987 CB ILE C 35 2.884 -9.011 0.503 1.00 99.99 C ATOM 988 CG1 ILE C 35 3.412 -8.403 1.827 1.00 99.99 C ATOM 989 CG2 ILE C 35 3.960 -9.908 -0.145 1.00 99.99 C ATOM 990 CD1 ILE C 35 3.550 -9.400 2.982 1.00 99.99 C ATOM 0 H ILE C 35 0.735 -7.463 0.657 1.00 99.99 H new ATOM 0 HA ILE C 35 3.344 -7.259 -0.663 1.00 99.99 H new ATOM 0 HB ILE C 35 2.008 -9.619 0.730 1.00 99.99 H new ATOM 0 HG12 ILE C 35 4.385 -7.949 1.639 1.00 99.99 H new ATOM 0 HG13 ILE C 35 2.741 -7.602 2.136 1.00 99.99 H new ATOM 0 HG21 ILE C 35 4.243 -10.698 0.551 1.00 99.99 H new ATOM 0 HG22 ILE C 35 3.562 -10.353 -1.057 1.00 99.99 H new ATOM 0 HG23 ILE C 35 4.837 -9.307 -0.388 1.00 99.99 H new ATOM 0 HD11 ILE C 35 3.926 -8.884 3.865 1.00 99.99 H new ATOM 0 HD12 ILE C 35 2.576 -9.837 3.204 1.00 99.99 H new ATOM 0 HD13 ILE C 35 4.246 -10.190 2.700 1.00 99.99 H new ATOM 1002 N LEU C 36 0.815 -9.093 -1.659 1.00 99.99 N ATOM 1003 CA LEU C 36 0.211 -9.810 -2.778 1.00 99.99 C ATOM 1004 C LEU C 36 0.113 -8.877 -3.976 1.00 99.99 C ATOM 1005 O LEU C 36 0.398 -9.296 -5.069 1.00 99.99 O ATOM 1006 CB LEU C 36 -1.217 -10.285 -2.481 1.00 99.99 C ATOM 1007 CG LEU C 36 -1.960 -10.933 -3.668 1.00 99.99 C ATOM 1008 CD1 LEU C 36 -1.258 -12.218 -4.127 1.00 99.99 C ATOM 1009 CD2 LEU C 36 -3.427 -11.210 -3.313 1.00 99.99 C ATOM 0 H LEU C 36 0.223 -9.041 -0.830 1.00 99.99 H new ATOM 0 HA LEU C 36 0.845 -10.676 -2.966 1.00 99.99 H new ATOM 0 HB2 LEU C 36 -1.180 -11.003 -1.662 1.00 99.99 H new ATOM 0 HB3 LEU C 36 -1.800 -9.433 -2.131 1.00 99.99 H new ATOM 0 HG LEU C 36 -1.940 -10.226 -4.497 1.00 99.99 H new ATOM 0 HD11 LEU C 36 -1.804 -12.652 -4.964 1.00 99.99 H new ATOM 0 HD12 LEU C 36 -0.240 -11.985 -4.440 1.00 99.99 H new ATOM 0 HD13 LEU C 36 -1.230 -12.931 -3.303 1.00 99.99 H new ATOM 0 HD21 LEU C 36 -3.928 -11.667 -4.167 1.00 99.99 H new ATOM 0 HD22 LEU C 36 -3.473 -11.887 -2.460 1.00 99.99 H new ATOM 0 HD23 LEU C 36 -3.923 -10.273 -3.060 1.00 99.99 H new ATOM 1021 N HIS C 37 -0.314 -7.610 -3.770 1.00 99.99 N ATOM 1022 CA HIS C 37 -0.507 -6.623 -4.806 1.00 99.99 C ATOM 1023 C HIS C 37 0.801 -6.328 -5.490 1.00 99.99 C ATOM 1024 O HIS C 37 0.830 -5.993 -6.673 1.00 99.99 O ATOM 1025 CB HIS C 37 -1.081 -5.307 -4.229 1.00 99.99 C ATOM 1026 CG HIS C 37 -1.482 -4.296 -5.273 1.00 99.99 C ATOM 1027 ND1 HIS C 37 -1.707 -2.980 -4.972 1.00 99.99 N ATOM 1028 CD2 HIS C 37 -1.741 -4.452 -6.593 1.00 99.99 C ATOM 1029 CE1 HIS C 37 -2.081 -2.356 -6.081 1.00 99.99 C ATOM 1030 NE2 HIS C 37 -2.109 -3.227 -7.080 1.00 99.99 N ATOM 0 H HIS C 37 -0.535 -7.255 -2.840 1.00 99.99 H new ATOM 0 HA HIS C 37 -1.219 -7.032 -5.523 1.00 99.99 H new ATOM 0 HB2 HIS C 37 -1.950 -5.542 -3.614 1.00 99.99 H new ATOM 0 HB3 HIS C 37 -0.337 -4.857 -3.571 1.00 99.99 H new ATOM 0 HD2 HIS C 37 -1.670 -5.371 -7.156 1.00 99.99 H new ATOM 0 HE1 HIS C 37 -2.324 -1.306 -6.158 1.00 99.99 H new ATOM 0 HE2 HIS C 37 -2.362 -3.020 -8.046 1.00 99.99 H new ATOM 1038 N LEU C 38 1.922 -6.492 -4.748 1.00 99.99 N ATOM 1039 CA LEU C 38 3.265 -6.258 -5.265 1.00 99.99 C ATOM 1040 C LEU C 38 3.641 -7.384 -6.217 1.00 99.99 C ATOM 1041 O LEU C 38 4.173 -7.113 -7.264 1.00 99.99 O ATOM 1042 CB LEU C 38 4.337 -6.244 -4.166 1.00 99.99 C ATOM 1043 CG LEU C 38 5.770 -6.022 -4.706 1.00 99.99 C ATOM 1044 CD1 LEU C 38 5.894 -4.691 -5.461 1.00 99.99 C ATOM 1045 CD2 LEU C 38 6.822 -6.108 -3.600 1.00 99.99 C ATOM 0 H LEU C 38 1.906 -6.791 -3.773 1.00 99.99 H new ATOM 0 HA LEU C 38 3.239 -5.283 -5.752 1.00 99.99 H new ATOM 0 HB2 LEU C 38 4.101 -5.457 -3.449 1.00 99.99 H new ATOM 0 HB3 LEU C 38 4.303 -7.189 -3.624 1.00 99.99 H new ATOM 0 HG LEU C 38 5.961 -6.832 -5.410 1.00 99.99 H new ATOM 0 HD11 LEU C 38 6.915 -4.572 -5.824 1.00 99.99 H new ATOM 0 HD12 LEU C 38 5.205 -4.686 -6.306 1.00 99.99 H new ATOM 0 HD13 LEU C 38 5.650 -3.868 -4.790 1.00 99.99 H new ATOM 0 HD21 LEU C 38 7.812 -5.946 -4.026 1.00 99.99 H new ATOM 0 HD22 LEU C 38 6.622 -5.346 -2.847 1.00 99.99 H new ATOM 0 HD23 LEU C 38 6.783 -7.094 -3.137 1.00 99.99 H new ATOM 1057 N ILE C 39 3.369 -8.555 -5.840 1.00 99.99 N ATOM 1058 CA ILE C 39 3.698 -9.730 -6.640 1.00 99.99 C ATOM 1059 C ILE C 39 2.867 -9.717 -7.914 1.00 99.99 C ATOM 1060 O ILE C 39 3.398 -9.991 -8.962 1.00 99.99 O ATOM 1061 CB ILE C 39 3.374 -11.050 -5.925 1.00 99.99 C ATOM 1062 CG1 ILE C 39 4.310 -11.231 -4.709 1.00 99.99 C ATOM 1063 CG2 ILE C 39 3.520 -12.236 -6.901 1.00 99.99 C ATOM 1064 CD1 ILE C 39 3.946 -12.429 -3.822 1.00 99.99 C ATOM 0 H ILE C 39 2.904 -8.770 -4.958 1.00 99.99 H new ATOM 0 HA ILE C 39 4.770 -9.680 -6.832 1.00 99.99 H new ATOM 0 HB ILE C 39 2.343 -11.020 -5.573 1.00 99.99 H new ATOM 0 HG12 ILE C 39 5.333 -11.351 -5.064 1.00 99.99 H new ATOM 0 HG13 ILE C 39 4.287 -10.323 -4.106 1.00 99.99 H new ATOM 0 HG21 ILE C 39 3.288 -13.166 -6.381 1.00 99.99 H new ATOM 0 HG22 ILE C 39 2.833 -12.106 -7.737 1.00 99.99 H new ATOM 0 HG23 ILE C 39 4.543 -12.276 -7.275 1.00 99.99 H new ATOM 0 HD11 ILE C 39 4.647 -12.492 -2.990 1.00 99.99 H new ATOM 0 HD12 ILE C 39 2.935 -12.302 -3.436 1.00 99.99 H new ATOM 0 HD13 ILE C 39 3.998 -13.346 -4.409 1.00 99.99 H new ATOM 1076 N LEU C 40 1.648 -9.424 -7.791 1.00 99.99 N ATOM 1077 CA LEU C 40 0.731 -9.399 -8.923 1.00 99.99 C ATOM 1078 C LEU C 40 1.216 -8.379 -9.943 1.00 99.99 C ATOM 1079 O LEU C 40 1.207 -8.671 -11.113 1.00 99.99 O ATOM 1080 CB LEU C 40 -0.691 -8.976 -8.533 1.00 99.99 C ATOM 1081 CG LEU C 40 -1.487 -10.005 -7.700 1.00 99.99 C ATOM 1082 CD1 LEU C 40 -2.843 -9.400 -7.287 1.00 99.99 C ATOM 1083 CD2 LEU C 40 -1.710 -11.322 -8.455 1.00 99.99 C ATOM 0 H LEU C 40 1.214 -9.184 -6.900 1.00 99.99 H new ATOM 0 HA LEU C 40 0.708 -10.415 -9.318 1.00 99.99 H new ATOM 0 HB2 LEU C 40 -0.632 -8.045 -7.969 1.00 99.99 H new ATOM 0 HB3 LEU C 40 -1.250 -8.762 -9.444 1.00 99.99 H new ATOM 0 HG LEU C 40 -0.895 -10.237 -6.814 1.00 99.99 H new ATOM 0 HD11 LEU C 40 -3.402 -10.128 -6.700 1.00 99.99 H new ATOM 0 HD12 LEU C 40 -2.675 -8.504 -6.690 1.00 99.99 H new ATOM 0 HD13 LEU C 40 -3.412 -9.140 -8.179 1.00 99.99 H new ATOM 0 HD21 LEU C 40 -2.274 -12.011 -7.826 1.00 99.99 H new ATOM 0 HD22 LEU C 40 -2.268 -11.127 -9.371 1.00 99.99 H new ATOM 0 HD23 LEU C 40 -0.746 -11.766 -8.705 1.00 99.99 H new ATOM 1095 N TRP C 41 1.602 -7.267 -9.489 1.00 99.99 N ATOM 1096 CA TRP C 41 2.067 -6.189 -10.354 1.00 99.99 C ATOM 1097 C TRP C 41 3.375 -6.603 -11.011 1.00 99.99 C ATOM 1098 O TRP C 41 3.546 -6.363 -12.180 1.00 99.99 O ATOM 1099 CB TRP C 41 2.356 -4.891 -9.587 1.00 99.99 C ATOM 1100 CG TRP C 41 2.740 -3.722 -10.476 1.00 99.99 C ATOM 1101 CD1 TRP C 41 1.904 -2.949 -11.223 1.00 99.99 C ATOM 1102 CD2 TRP C 41 4.078 -3.289 -10.775 1.00 99.99 C ATOM 1103 NE1 TRP C 41 2.617 -2.006 -11.907 1.00 99.99 N ATOM 1104 CE2 TRP C 41 3.956 -2.220 -11.682 1.00 99.99 C ATOM 1105 CE3 TRP C 41 5.327 -3.731 -10.326 1.00 99.99 C ATOM 1106 CZ2 TRP C 41 5.080 -1.555 -12.149 1.00 99.99 C ATOM 1107 CZ3 TRP C 41 6.455 -3.066 -10.811 1.00 99.99 C ATOM 1108 CH2 TRP C 41 6.341 -1.990 -11.709 1.00 99.99 C ATOM 0 H TRP C 41 1.619 -7.039 -8.495 1.00 99.99 H new ATOM 0 HA TRP C 41 1.271 -6.008 -11.076 1.00 99.99 H new ATOM 0 HB2 TRP C 41 1.474 -4.619 -9.007 1.00 99.99 H new ATOM 0 HB3 TRP C 41 3.161 -5.073 -8.875 1.00 99.99 H new ATOM 0 HD1 TRP C 41 0.831 -3.065 -11.268 1.00 99.99 H new ATOM 0 HE1 TRP C 41 2.222 -1.266 -12.488 1.00 99.99 H new ATOM 0 HE3 TRP C 41 5.415 -4.554 -9.632 1.00 99.99 H new ATOM 0 HZ2 TRP C 41 4.988 -0.724 -12.833 1.00 99.99 H new ATOM 0 HZ3 TRP C 41 7.436 -3.385 -10.490 1.00 99.99 H new ATOM 0 HH2 TRP C 41 7.232 -1.493 -12.064 1.00 99.99 H new ATOM 1119 N ILE C 42 4.222 -7.174 -10.270 1.00 99.99 N ATOM 1120 CA ILE C 42 5.530 -7.599 -10.761 1.00 99.99 C ATOM 1121 C ILE C 42 5.343 -8.700 -11.794 1.00 99.99 C ATOM 1122 O ILE C 42 6.005 -8.676 -12.801 1.00 99.99 O ATOM 1123 CB ILE C 42 6.419 -8.186 -9.660 1.00 99.99 C ATOM 1124 CG1 ILE C 42 6.890 -7.066 -8.703 1.00 99.99 C ATOM 1125 CG2 ILE C 42 7.637 -8.916 -10.266 1.00 99.99 C ATOM 1126 CD1 ILE C 42 7.711 -7.579 -7.510 1.00 99.99 C ATOM 0 H ILE C 42 4.061 -7.380 -9.284 1.00 99.99 H new ATOM 0 HA ILE C 42 6.008 -6.709 -11.171 1.00 99.99 H new ATOM 0 HB ILE C 42 5.832 -8.912 -9.097 1.00 99.99 H new ATOM 0 HG12 ILE C 42 7.489 -6.349 -9.264 1.00 99.99 H new ATOM 0 HG13 ILE C 42 6.018 -6.529 -8.329 1.00 99.99 H new ATOM 0 HG21 ILE C 42 8.253 -9.324 -9.464 1.00 99.99 H new ATOM 0 HG22 ILE C 42 7.293 -9.727 -10.908 1.00 99.99 H new ATOM 0 HG23 ILE C 42 8.227 -8.213 -10.854 1.00 99.99 H new ATOM 0 HD11 ILE C 42 8.006 -6.738 -6.883 1.00 99.99 H new ATOM 0 HD12 ILE C 42 7.108 -8.273 -6.925 1.00 99.99 H new ATOM 0 HD13 ILE C 42 8.602 -8.090 -7.874 1.00 99.99 H new ATOM 1138 N LEU C 43 4.495 -9.594 -11.522 1.00 99.99 N ATOM 1139 CA LEU C 43 4.236 -10.720 -12.410 1.00 99.99 C ATOM 1140 C LEU C 43 3.640 -10.208 -13.713 1.00 99.99 C ATOM 1141 O LEU C 43 3.934 -10.754 -14.746 1.00 99.99 O ATOM 1142 CB LEU C 43 3.221 -11.715 -11.831 1.00 99.99 C ATOM 1143 CG LEU C 43 3.739 -12.521 -10.617 1.00 99.99 C ATOM 1144 CD1 LEU C 43 2.579 -13.282 -9.949 1.00 99.99 C ATOM 1145 CD2 LEU C 43 4.854 -13.503 -11.010 1.00 99.99 C ATOM 0 H LEU C 43 3.933 -9.598 -10.671 1.00 99.99 H new ATOM 0 HA LEU C 43 5.192 -11.223 -12.552 1.00 99.99 H new ATOM 0 HB2 LEU C 43 2.325 -11.170 -11.534 1.00 99.99 H new ATOM 0 HB3 LEU C 43 2.925 -12.412 -12.615 1.00 99.99 H new ATOM 0 HG LEU C 43 4.162 -11.808 -9.910 1.00 99.99 H new ATOM 0 HD11 LEU C 43 2.957 -13.845 -9.096 1.00 99.99 H new ATOM 0 HD12 LEU C 43 1.825 -12.571 -9.610 1.00 99.99 H new ATOM 0 HD13 LEU C 43 2.132 -13.969 -10.668 1.00 99.99 H new ATOM 0 HD21 LEU C 43 5.187 -14.047 -10.127 1.00 99.99 H new ATOM 0 HD22 LEU C 43 4.474 -14.208 -11.749 1.00 99.99 H new ATOM 0 HD23 LEU C 43 5.693 -12.951 -11.434 1.00 99.99 H new ATOM 1157 N ASP C 44 2.849 -9.229 -13.625 1.00 99.99 N ATOM 1158 CA ASP C 44 2.186 -8.654 -14.788 1.00 99.99 C ATOM 1159 C ASP C 44 3.224 -7.988 -15.682 1.00 99.99 C ATOM 1160 O ASP C 44 3.134 -8.114 -16.878 1.00 99.99 O ATOM 1161 CB ASP C 44 1.169 -7.565 -14.421 1.00 99.99 C ATOM 1162 CG ASP C 44 0.411 -7.028 -15.650 1.00 99.99 C ATOM 1163 OD1 ASP C 44 -0.370 -7.803 -16.253 1.00 99.99 O ATOM 1164 OD2 ASP C 44 0.558 -5.815 -15.986 1.00 99.99 O ATOM 0 H ASP C 44 2.615 -8.770 -12.744 1.00 99.99 H new ATOM 0 HA ASP C 44 1.668 -9.477 -15.281 1.00 99.99 H new ATOM 0 HB2 ASP C 44 0.453 -7.967 -13.704 1.00 99.99 H new ATOM 0 HB3 ASP C 44 1.685 -6.741 -13.928 1.00 99.99 H new ATOM 1169 N ARG C 45 4.127 -7.327 -15.102 1.00 99.99 N ATOM 1170 CA ARG C 45 5.171 -6.619 -15.835 1.00 99.99 C ATOM 1171 C ARG C 45 6.026 -7.623 -16.593 1.00 99.99 C ATOM 1172 O ARG C 45 6.333 -7.386 -17.734 1.00 99.99 O ATOM 1173 CB ARG C 45 6.126 -5.845 -14.916 1.00 99.99 C ATOM 1174 CG ARG C 45 5.450 -4.689 -14.151 1.00 99.99 C ATOM 1175 CD ARG C 45 5.174 -3.463 -15.031 1.00 99.99 C ATOM 1176 NE ARG C 45 3.772 -3.568 -15.574 1.00 99.99 N ATOM 1177 CZ ARG C 45 3.401 -2.902 -16.684 1.00 99.99 C ATOM 1178 NH1 ARG C 45 4.255 -2.099 -17.342 1.00 99.99 N ATOM 1179 NH2 ARG C 45 2.134 -3.032 -17.111 1.00 99.99 N ATOM 0 H ARG C 45 4.197 -7.237 -14.088 1.00 99.99 H new ATOM 0 HA ARG C 45 4.659 -5.918 -16.494 1.00 99.99 H new ATOM 0 HB2 ARG C 45 6.565 -6.537 -14.197 1.00 99.99 H new ATOM 0 HB3 ARG C 45 6.945 -5.444 -15.513 1.00 99.99 H new ATOM 0 HG2 ARG C 45 4.510 -5.043 -13.727 1.00 99.99 H new ATOM 0 HG3 ARG C 45 6.085 -4.394 -13.316 1.00 99.99 H new ATOM 0 HD2 ARG C 45 5.288 -2.547 -14.451 1.00 99.99 H new ATOM 0 HD3 ARG C 45 5.894 -3.414 -15.848 1.00 99.99 H new ATOM 0 HE ARG C 45 3.091 -4.155 -15.092 1.00 99.99 H new ATOM 0 HH11 ARG C 45 5.210 -1.983 -17.003 1.00 99.99 H new ATOM 0 HH12 ARG C 45 3.948 -1.606 -18.181 1.00 99.99 H new ATOM 0 HH21 ARG C 45 1.481 -3.624 -16.597 1.00 99.99 H new ATOM 0 HH22 ARG C 45 1.825 -2.539 -17.949 1.00 99.99 H new ATOM 1193 N LEU C 46 6.370 -8.660 -15.963 1.00 99.99 N ATOM 1194 CA LEU C 46 7.209 -9.693 -16.559 1.00 99.99 C ATOM 1195 C LEU C 46 6.452 -10.364 -17.695 1.00 99.99 C ATOM 1196 O LEU C 46 5.455 -11.049 -17.474 1.00 99.99 O ATOM 1197 CB LEU C 46 7.581 -10.806 -15.570 1.00 99.99 C ATOM 1198 CG LEU C 46 8.359 -10.395 -14.296 1.00 99.99 C ATOM 1199 CD1 LEU C 46 8.409 -11.606 -13.346 1.00 99.99 C ATOM 1200 CD2 LEU C 46 9.777 -9.891 -14.586 1.00 99.99 C ATOM 0 H LEU C 46 6.092 -8.854 -15.001 1.00 99.99 H new ATOM 0 HA LEU C 46 8.117 -9.192 -16.894 1.00 99.99 H new ATOM 0 HB2 LEU C 46 6.661 -11.301 -15.258 1.00 99.99 H new ATOM 0 HB3 LEU C 46 8.176 -11.546 -16.104 1.00 99.99 H new ATOM 0 HG LEU C 46 7.832 -9.558 -13.838 1.00 99.99 H new ATOM 0 HD11 LEU C 46 8.954 -11.336 -12.441 1.00 99.99 H new ATOM 0 HD12 LEU C 46 7.394 -11.904 -13.083 1.00 99.99 H new ATOM 0 HD13 LEU C 46 8.915 -12.436 -13.840 1.00 99.99 H new ATOM 0 HD21 LEU C 46 10.265 -9.620 -13.650 1.00 99.99 H new ATOM 0 HD22 LEU C 46 10.349 -10.677 -15.079 1.00 99.99 H new ATOM 0 HD23 LEU C 46 9.727 -9.017 -15.235 1.00 99.99 H new TER 1212 LEU C 46 ATOM 1213 N SER D 22 10.396 -0.522 18.946 1.00 99.99 N ATOM 1214 CA SER D 22 10.116 -1.252 17.676 1.00 99.99 C ATOM 1215 C SER D 22 8.656 -1.593 17.532 1.00 99.99 C ATOM 1216 O SER D 22 7.862 -1.413 18.456 1.00 99.99 O ATOM 1217 CB SER D 22 11.006 -2.530 17.546 1.00 99.99 C ATOM 1218 OG SER D 22 10.756 -3.495 18.566 1.00 99.99 O ATOM 0 HA SER D 22 10.374 -0.578 16.859 1.00 99.99 H new ATOM 0 HB2 SER D 22 10.833 -2.988 16.572 1.00 99.99 H new ATOM 0 HB3 SER D 22 12.056 -2.239 17.580 1.00 99.99 H new ATOM 0 HG SER D 22 11.339 -4.271 18.432 1.00 99.99 H new ATOM 1223 N SER D 23 8.280 -2.108 16.337 1.00 99.99 N ATOM 1224 CA SER D 23 6.951 -2.591 16.048 1.00 99.99 C ATOM 1225 C SER D 23 7.125 -4.018 15.596 1.00 99.99 C ATOM 1226 O SER D 23 8.183 -4.613 15.802 1.00 99.99 O ATOM 1227 CB SER D 23 6.229 -1.747 14.969 1.00 99.99 C ATOM 1228 OG SER D 23 6.048 -0.414 15.427 1.00 99.99 O ATOM 0 H SER D 23 8.920 -2.191 15.547 1.00 99.99 H new ATOM 0 HA SER D 23 6.318 -2.516 16.932 1.00 99.99 H new ATOM 0 HB2 SER D 23 6.811 -1.747 14.048 1.00 99.99 H new ATOM 0 HB3 SER D 23 5.262 -2.193 14.735 1.00 99.99 H new ATOM 0 HG SER D 23 5.592 0.110 14.736 1.00 99.99 H new ATOM 1234 N ASP D 24 6.068 -4.618 14.990 1.00 99.99 N ATOM 1235 CA ASP D 24 6.032 -6.024 14.631 1.00 99.99 C ATOM 1236 C ASP D 24 6.637 -6.186 13.253 1.00 99.99 C ATOM 1237 O ASP D 24 6.584 -5.233 12.483 1.00 99.99 O ATOM 1238 CB ASP D 24 4.581 -6.582 14.597 1.00 99.99 C ATOM 1239 CG ASP D 24 3.915 -6.505 15.974 1.00 99.99 C ATOM 1240 OD1 ASP D 24 4.640 -6.418 17.003 1.00 99.99 O ATOM 1241 OD2 ASP D 24 2.656 -6.543 16.012 1.00 99.99 O ATOM 0 H ASP D 24 5.216 -4.116 14.742 1.00 99.99 H new ATOM 0 HA ASP D 24 6.592 -6.577 15.385 1.00 99.99 H new ATOM 0 HB2 ASP D 24 3.991 -6.018 13.875 1.00 99.99 H new ATOM 0 HB3 ASP D 24 4.597 -7.618 14.257 1.00 99.99 H new ATOM 1246 N PRO D 25 7.237 -7.316 12.874 1.00 99.99 N ATOM 1247 CA PRO D 25 8.123 -7.388 11.722 1.00 99.99 C ATOM 1248 C PRO D 25 7.380 -7.360 10.405 1.00 99.99 C ATOM 1249 O PRO D 25 7.985 -6.937 9.433 1.00 99.99 O ATOM 1250 CB PRO D 25 8.880 -8.715 11.895 1.00 99.99 C ATOM 1251 CG PRO D 25 7.966 -9.561 12.784 1.00 99.99 C ATOM 1252 CD PRO D 25 7.339 -8.515 13.703 1.00 99.99 C ATOM 0 HA PRO D 25 8.785 -6.523 11.686 1.00 99.99 H new ATOM 0 HB2 PRO D 25 9.059 -9.199 10.935 1.00 99.99 H new ATOM 0 HB3 PRO D 25 9.854 -8.559 12.360 1.00 99.99 H new ATOM 0 HG2 PRO D 25 7.214 -10.093 12.202 1.00 99.99 H new ATOM 0 HG3 PRO D 25 8.525 -10.311 13.344 1.00 99.99 H new ATOM 0 HD2 PRO D 25 6.360 -8.835 14.060 1.00 99.99 H new ATOM 0 HD3 PRO D 25 7.957 -8.338 14.583 1.00 99.99 H new ATOM 1260 N LEU D 26 6.105 -7.810 10.356 1.00 99.99 N ATOM 1261 CA LEU D 26 5.186 -7.756 9.226 1.00 99.99 C ATOM 1262 C LEU D 26 4.734 -6.320 9.010 1.00 99.99 C ATOM 1263 O LEU D 26 4.669 -5.890 7.887 1.00 99.99 O ATOM 1264 CB LEU D 26 3.911 -8.581 9.452 1.00 99.99 C ATOM 1265 CG LEU D 26 2.788 -8.406 8.404 1.00 99.99 C ATOM 1266 CD1 LEU D 26 3.199 -8.885 7.010 1.00 99.99 C ATOM 1267 CD2 LEU D 26 1.513 -9.124 8.868 1.00 99.99 C ATOM 0 H LEU D 26 5.674 -8.249 11.169 1.00 99.99 H new ATOM 0 HA LEU D 26 5.730 -8.161 8.372 1.00 99.99 H new ATOM 0 HB2 LEU D 26 4.187 -9.635 9.485 1.00 99.99 H new ATOM 0 HB3 LEU D 26 3.507 -8.326 10.432 1.00 99.99 H new ATOM 0 HG LEU D 26 2.591 -7.337 8.321 1.00 99.99 H new ATOM 0 HD11 LEU D 26 2.371 -8.738 6.316 1.00 99.99 H new ATOM 0 HD12 LEU D 26 4.064 -8.315 6.670 1.00 99.99 H new ATOM 0 HD13 LEU D 26 3.455 -9.944 7.050 1.00 99.99 H new ATOM 0 HD21 LEU D 26 0.730 -8.993 8.121 1.00 99.99 H new ATOM 0 HD22 LEU D 26 1.720 -10.187 8.995 1.00 99.99 H new ATOM 0 HD23 LEU D 26 1.183 -8.703 9.818 1.00 99.99 H new ATOM 1279 N VAL D 27 4.445 -5.659 10.046 1.00 99.99 N ATOM 1280 CA VAL D 27 3.975 -4.280 9.985 1.00 99.99 C ATOM 1281 C VAL D 27 5.087 -3.392 9.448 1.00 99.99 C ATOM 1282 O VAL D 27 4.828 -2.583 8.592 1.00 99.99 O ATOM 1283 CB VAL D 27 3.598 -3.717 11.362 1.00 99.99 C ATOM 1284 CG1 VAL D 27 3.225 -2.225 11.259 1.00 99.99 C ATOM 1285 CG2 VAL D 27 2.399 -4.506 11.932 1.00 99.99 C ATOM 0 H VAL D 27 4.517 -6.033 10.992 1.00 99.99 H new ATOM 0 HA VAL D 27 3.093 -4.285 9.345 1.00 99.99 H new ATOM 0 HB VAL D 27 4.458 -3.817 12.024 1.00 99.99 H new ATOM 0 HG11 VAL D 27 2.961 -1.847 12.247 1.00 99.99 H new ATOM 0 HG12 VAL D 27 4.075 -1.664 10.870 1.00 99.99 H new ATOM 0 HG13 VAL D 27 2.375 -2.108 10.587 1.00 99.99 H new ATOM 0 HG21 VAL D 27 2.132 -4.106 12.910 1.00 99.99 H new ATOM 0 HG22 VAL D 27 1.548 -4.413 11.257 1.00 99.99 H new ATOM 0 HG23 VAL D 27 2.670 -5.557 12.032 1.00 99.99 H new ATOM 1295 N VAL D 28 6.234 -3.557 9.949 1.00 99.99 N ATOM 1296 CA VAL D 28 7.385 -2.757 9.547 1.00 99.99 C ATOM 1297 C VAL D 28 7.785 -3.130 8.128 1.00 99.99 C ATOM 1298 O VAL D 28 8.060 -2.253 7.348 1.00 99.99 O ATOM 1299 CB VAL D 28 8.619 -3.004 10.425 1.00 99.99 C ATOM 1300 CG1 VAL D 28 9.859 -2.279 9.864 1.00 99.99 C ATOM 1301 CG2 VAL D 28 8.335 -2.534 11.865 1.00 99.99 C ATOM 0 H VAL D 28 6.442 -4.254 10.664 1.00 99.99 H new ATOM 0 HA VAL D 28 7.082 -1.714 9.640 1.00 99.99 H new ATOM 0 HB VAL D 28 8.830 -4.073 10.427 1.00 99.99 H new ATOM 0 HG11 VAL D 28 10.717 -2.473 10.508 1.00 99.99 H new ATOM 0 HG12 VAL D 28 10.070 -2.644 8.859 1.00 99.99 H new ATOM 0 HG13 VAL D 28 9.668 -1.206 9.828 1.00 99.99 H new ATOM 0 HG21 VAL D 28 9.214 -2.711 12.485 1.00 99.99 H new ATOM 0 HG22 VAL D 28 8.102 -1.469 11.861 1.00 99.99 H new ATOM 0 HG23 VAL D 28 7.488 -3.089 12.269 1.00 99.99 H new ATOM 1311 N ALA D 29 7.810 -4.360 7.853 1.00 99.99 N ATOM 1312 CA ALA D 29 8.202 -4.860 6.539 1.00 99.99 C ATOM 1313 C ALA D 29 7.236 -4.328 5.491 1.00 99.99 C ATOM 1314 O ALA D 29 7.675 -3.940 4.436 1.00 99.99 O ATOM 1315 CB ALA D 29 8.145 -6.390 6.441 1.00 99.99 C ATOM 0 H ALA D 29 7.561 -5.092 8.519 1.00 99.99 H new ATOM 0 HA ALA D 29 9.228 -4.527 6.378 1.00 99.99 H new ATOM 0 HB1 ALA D 29 8.447 -6.702 5.441 1.00 99.99 H new ATOM 0 HB2 ALA D 29 8.820 -6.827 7.177 1.00 99.99 H new ATOM 0 HB3 ALA D 29 7.127 -6.729 6.635 1.00 99.99 H new ATOM 1321 N ALA D 30 6.012 -4.332 5.796 1.00 99.99 N ATOM 1322 CA ALA D 30 4.977 -3.874 4.877 1.00 99.99 C ATOM 1323 C ALA D 30 5.182 -2.397 4.581 1.00 99.99 C ATOM 1324 O ALA D 30 4.931 -1.981 3.476 1.00 99.99 O ATOM 1325 CB ALA D 30 3.562 -4.004 5.459 1.00 99.99 C ATOM 0 H ALA D 30 5.656 -4.652 6.697 1.00 99.99 H new ATOM 0 HA ALA D 30 5.061 -4.499 3.988 1.00 99.99 H new ATOM 0 HB1 ALA D 30 2.834 -3.648 4.730 1.00 99.99 H new ATOM 0 HB2 ALA D 30 3.359 -5.049 5.693 1.00 99.99 H new ATOM 0 HB3 ALA D 30 3.486 -3.407 6.368 1.00 99.99 H new ATOM 1331 N SER D 31 5.610 -1.686 5.529 1.00 99.99 N ATOM 1332 CA SER D 31 5.829 -0.250 5.393 1.00 99.99 C ATOM 1333 C SER D 31 6.894 -0.003 4.335 1.00 99.99 C ATOM 1334 O SER D 31 6.698 0.835 3.490 1.00 99.99 O ATOM 1335 CB SER D 31 6.340 0.403 6.683 1.00 99.99 C ATOM 1336 OG SER D 31 5.351 0.341 7.709 1.00 99.99 O ATOM 0 H SER D 31 5.834 -2.055 6.453 1.00 99.99 H new ATOM 0 HA SER D 31 4.863 0.183 5.132 1.00 99.99 H new ATOM 0 HB2 SER D 31 7.248 -0.101 7.016 1.00 99.99 H new ATOM 0 HB3 SER D 31 6.605 1.442 6.489 1.00 99.99 H new ATOM 0 HG SER D 31 5.194 -0.594 7.956 1.00 99.99 H new ATOM 1342 N ILE D 32 7.942 -0.701 4.415 1.00 99.99 N ATOM 1343 CA ILE D 32 9.053 -0.551 3.483 1.00 99.99 C ATOM 1344 C ILE D 32 8.602 -0.954 2.087 1.00 99.99 C ATOM 1345 O ILE D 32 9.008 -0.336 1.139 1.00 99.99 O ATOM 1346 CB ILE D 32 10.248 -1.450 3.830 1.00 99.99 C ATOM 1347 CG1 ILE D 32 10.868 -1.018 5.177 1.00 99.99 C ATOM 1348 CG2 ILE D 32 11.316 -1.400 2.717 1.00 99.99 C ATOM 1349 CD1 ILE D 32 11.823 -2.066 5.762 1.00 99.99 C ATOM 0 H ILE D 32 8.091 -1.415 5.128 1.00 99.99 H new ATOM 0 HA ILE D 32 9.360 0.493 3.540 1.00 99.99 H new ATOM 0 HB ILE D 32 9.888 -2.475 3.916 1.00 99.99 H new ATOM 0 HG12 ILE D 32 11.407 -0.081 5.038 1.00 99.99 H new ATOM 0 HG13 ILE D 32 10.069 -0.823 5.892 1.00 99.99 H new ATOM 0 HG21 ILE D 32 12.152 -2.045 2.986 1.00 99.99 H new ATOM 0 HG22 ILE D 32 10.880 -1.743 1.779 1.00 99.99 H new ATOM 0 HG23 ILE D 32 11.671 -0.376 2.599 1.00 99.99 H new ATOM 0 HD11 ILE D 32 12.226 -1.704 6.708 1.00 99.99 H new ATOM 0 HD12 ILE D 32 11.282 -2.997 5.931 1.00 99.99 H new ATOM 0 HD13 ILE D 32 12.641 -2.243 5.064 1.00 99.99 H new ATOM 1361 N ILE D 33 7.816 -1.938 2.014 1.00 99.99 N ATOM 1362 CA ILE D 33 7.324 -2.452 0.741 1.00 99.99 C ATOM 1363 C ILE D 33 6.542 -1.359 0.025 1.00 99.99 C ATOM 1364 O ILE D 33 6.754 -1.156 -1.142 1.00 99.99 O ATOM 1365 CB ILE D 33 6.360 -3.635 0.904 1.00 99.99 C ATOM 1366 CG1 ILE D 33 7.193 -4.928 1.085 1.00 99.99 C ATOM 1367 CG2 ILE D 33 5.394 -3.766 -0.287 1.00 99.99 C ATOM 1368 CD1 ILE D 33 6.407 -6.126 1.630 1.00 99.99 C ATOM 0 H ILE D 33 7.468 -2.444 2.829 1.00 99.99 H new ATOM 0 HA ILE D 33 8.203 -2.779 0.185 1.00 99.99 H new ATOM 0 HB ILE D 33 5.740 -3.463 1.784 1.00 99.99 H new ATOM 0 HG12 ILE D 33 7.626 -5.202 0.123 1.00 99.99 H new ATOM 0 HG13 ILE D 33 8.023 -4.718 1.760 1.00 99.99 H new ATOM 0 HG21 ILE D 33 4.732 -4.617 -0.126 1.00 99.99 H new ATOM 0 HG22 ILE D 33 4.801 -2.856 -0.376 1.00 99.99 H new ATOM 0 HG23 ILE D 33 5.965 -3.918 -1.203 1.00 99.99 H new ATOM 0 HD11 ILE D 33 7.071 -6.985 1.723 1.00 99.99 H new ATOM 0 HD12 ILE D 33 5.996 -5.877 2.608 1.00 99.99 H new ATOM 0 HD13 ILE D 33 5.594 -6.369 0.946 1.00 99.99 H new ATOM 1380 N GLY D 34 5.701 -0.723 0.718 1.00 99.99 N ATOM 1381 CA GLY D 34 4.866 0.334 0.155 1.00 99.99 C ATOM 1382 C GLY D 34 5.746 1.497 -0.273 1.00 99.99 C ATOM 1383 O GLY D 34 5.455 2.117 -1.265 1.00 99.99 O ATOM 0 H GLY D 34 5.542 -0.895 1.711 1.00 99.99 H new ATOM 0 HA2 GLY D 34 4.305 -0.046 -0.699 1.00 99.99 H new ATOM 0 HA3 GLY D 34 4.136 0.668 0.892 1.00 99.99 H new ATOM 1387 N ILE D 35 7.025 1.438 0.062 1.00 99.99 N ATOM 1388 CA ILE D 35 7.897 2.481 -0.471 1.00 99.99 C ATOM 1389 C ILE D 35 8.587 1.969 -1.725 1.00 99.99 C ATOM 1390 O ILE D 35 8.622 2.672 -2.702 1.00 99.99 O ATOM 1391 CB ILE D 35 9.011 2.884 0.503 1.00 99.99 C ATOM 1392 CG1 ILE D 35 8.403 3.412 1.827 1.00 99.99 C ATOM 1393 CG2 ILE D 35 9.908 3.960 -0.145 1.00 99.99 C ATOM 1394 CD1 ILE D 35 9.400 3.550 2.982 1.00 99.99 C ATOM 0 H ILE D 35 7.463 0.735 0.657 1.00 99.99 H new ATOM 0 HA ILE D 35 7.259 3.344 -0.663 1.00 99.99 H new ATOM 0 HB ILE D 35 9.619 2.008 0.730 1.00 99.99 H new ATOM 0 HG12 ILE D 35 7.949 4.385 1.639 1.00 99.99 H new ATOM 0 HG13 ILE D 35 7.602 2.741 2.136 1.00 99.99 H new ATOM 0 HG21 ILE D 35 10.698 4.243 0.551 1.00 99.99 H new ATOM 0 HG22 ILE D 35 10.353 3.562 -1.057 1.00 99.99 H new ATOM 0 HG23 ILE D 35 9.307 4.837 -0.388 1.00 99.99 H new ATOM 0 HD11 ILE D 35 8.884 3.926 3.865 1.00 99.99 H new ATOM 0 HD12 ILE D 35 9.837 2.576 3.204 1.00 99.99 H new ATOM 0 HD13 ILE D 35 10.190 4.246 2.700 1.00 99.99 H new ATOM 1406 N LEU D 36 9.093 0.815 -1.659 1.00 99.99 N ATOM 1407 CA LEU D 36 9.810 0.211 -2.778 1.00 99.99 C ATOM 1408 C LEU D 36 8.877 0.113 -3.976 1.00 99.99 C ATOM 1409 O LEU D 36 9.296 0.398 -5.069 1.00 99.99 O ATOM 1410 CB LEU D 36 10.285 -1.217 -2.481 1.00 99.99 C ATOM 1411 CG LEU D 36 10.933 -1.960 -3.668 1.00 99.99 C ATOM 1412 CD1 LEU D 36 12.218 -1.258 -4.127 1.00 99.99 C ATOM 1413 CD2 LEU D 36 11.210 -3.427 -3.313 1.00 99.99 C ATOM 0 H LEU D 36 9.041 0.223 -0.830 1.00 99.99 H new ATOM 0 HA LEU D 36 10.676 0.845 -2.966 1.00 99.99 H new ATOM 0 HB2 LEU D 36 11.003 -1.180 -1.662 1.00 99.99 H new ATOM 0 HB3 LEU D 36 9.433 -1.800 -2.131 1.00 99.99 H new ATOM 0 HG LEU D 36 10.226 -1.940 -4.497 1.00 99.99 H new ATOM 0 HD11 LEU D 36 12.652 -1.804 -4.964 1.00 99.99 H new ATOM 0 HD12 LEU D 36 11.985 -0.240 -4.440 1.00 99.99 H new ATOM 0 HD13 LEU D 36 12.931 -1.230 -3.303 1.00 99.99 H new ATOM 0 HD21 LEU D 36 11.667 -3.928 -4.167 1.00 99.99 H new ATOM 0 HD22 LEU D 36 11.887 -3.473 -2.460 1.00 99.99 H new ATOM 0 HD23 LEU D 36 10.273 -3.923 -3.060 1.00 99.99 H new ATOM 1425 N HIS D 37 7.610 -0.314 -3.770 1.00 99.99 N ATOM 1426 CA HIS D 37 6.623 -0.507 -4.806 1.00 99.99 C ATOM 1427 C HIS D 37 6.328 0.801 -5.490 1.00 99.99 C ATOM 1428 O HIS D 37 5.993 0.830 -6.673 1.00 99.99 O ATOM 1429 CB HIS D 37 5.307 -1.081 -4.229 1.00 99.99 C ATOM 1430 CG HIS D 37 4.296 -1.482 -5.273 1.00 99.99 C ATOM 1431 ND1 HIS D 37 2.980 -1.707 -4.972 1.00 99.99 N ATOM 1432 CD2 HIS D 37 4.452 -1.741 -6.593 1.00 99.99 C ATOM 1433 CE1 HIS D 37 2.356 -2.081 -6.081 1.00 99.99 C ATOM 1434 NE2 HIS D 37 3.227 -2.109 -7.080 1.00 99.99 N ATOM 0 H HIS D 37 7.255 -0.535 -2.840 1.00 99.99 H new ATOM 0 HA HIS D 37 7.032 -1.219 -5.523 1.00 99.99 H new ATOM 0 HB2 HIS D 37 5.542 -1.950 -3.614 1.00 99.99 H new ATOM 0 HB3 HIS D 37 4.857 -0.337 -3.571 1.00 99.99 H new ATOM 0 HD2 HIS D 37 5.371 -1.670 -7.156 1.00 99.99 H new ATOM 0 HE1 HIS D 37 1.306 -2.324 -6.158 1.00 99.99 H new ATOM 0 HE2 HIS D 37 3.020 -2.362 -8.046 1.00 99.99 H new ATOM 1442 N LEU D 38 6.492 1.922 -4.748 1.00 99.99 N ATOM 1443 CA LEU D 38 6.258 3.265 -5.265 1.00 99.99 C ATOM 1444 C LEU D 38 7.384 3.641 -6.217 1.00 99.99 C ATOM 1445 O LEU D 38 7.113 4.173 -7.264 1.00 99.99 O ATOM 1446 CB LEU D 38 6.244 4.337 -4.166 1.00 99.99 C ATOM 1447 CG LEU D 38 6.022 5.770 -4.706 1.00 99.99 C ATOM 1448 CD1 LEU D 38 4.691 5.894 -5.461 1.00 99.99 C ATOM 1449 CD2 LEU D 38 6.108 6.822 -3.600 1.00 99.99 C ATOM 0 H LEU D 38 6.791 1.906 -3.773 1.00 99.99 H new ATOM 0 HA LEU D 38 5.283 3.239 -5.752 1.00 99.99 H new ATOM 0 HB2 LEU D 38 5.457 4.101 -3.449 1.00 99.99 H new ATOM 0 HB3 LEU D 38 7.189 4.303 -3.624 1.00 99.99 H new ATOM 0 HG LEU D 38 6.832 5.961 -5.410 1.00 99.99 H new ATOM 0 HD11 LEU D 38 4.572 6.915 -5.824 1.00 99.99 H new ATOM 0 HD12 LEU D 38 4.686 5.205 -6.306 1.00 99.99 H new ATOM 0 HD13 LEU D 38 3.868 5.650 -4.790 1.00 99.99 H new ATOM 0 HD21 LEU D 38 5.946 7.812 -4.026 1.00 99.99 H new ATOM 0 HD22 LEU D 38 5.346 6.622 -2.847 1.00 99.99 H new ATOM 0 HD23 LEU D 38 7.094 6.783 -3.137 1.00 99.99 H new ATOM 1461 N ILE D 39 8.555 3.369 -5.840 1.00 99.99 N ATOM 1462 CA ILE D 39 9.730 3.698 -6.640 1.00 99.99 C ATOM 1463 C ILE D 39 9.717 2.867 -7.914 1.00 99.99 C ATOM 1464 O ILE D 39 9.991 3.398 -8.962 1.00 99.99 O ATOM 1465 CB ILE D 39 11.050 3.374 -5.925 1.00 99.99 C ATOM 1466 CG1 ILE D 39 11.231 4.310 -4.709 1.00 99.99 C ATOM 1467 CG2 ILE D 39 12.236 3.520 -6.901 1.00 99.99 C ATOM 1468 CD1 ILE D 39 12.429 3.946 -3.822 1.00 99.99 C ATOM 0 H ILE D 39 8.770 2.904 -4.958 1.00 99.99 H new ATOM 0 HA ILE D 39 9.680 4.770 -6.832 1.00 99.99 H new ATOM 0 HB ILE D 39 11.020 2.343 -5.573 1.00 99.99 H new ATOM 0 HG12 ILE D 39 11.351 5.333 -5.064 1.00 99.99 H new ATOM 0 HG13 ILE D 39 10.323 4.287 -4.106 1.00 99.99 H new ATOM 0 HG21 ILE D 39 13.166 3.288 -6.381 1.00 99.99 H new ATOM 0 HG22 ILE D 39 12.106 2.833 -7.737 1.00 99.99 H new ATOM 0 HG23 ILE D 39 12.276 4.543 -7.275 1.00 99.99 H new ATOM 0 HD11 ILE D 39 12.492 4.647 -2.990 1.00 99.99 H new ATOM 0 HD12 ILE D 39 12.302 2.935 -3.436 1.00 99.99 H new ATOM 0 HD13 ILE D 39 13.346 3.998 -4.409 1.00 99.99 H new ATOM 1480 N LEU D 40 9.424 1.648 -7.791 1.00 99.99 N ATOM 1481 CA LEU D 40 9.399 0.731 -8.923 1.00 99.99 C ATOM 1482 C LEU D 40 8.379 1.216 -9.943 1.00 99.99 C ATOM 1483 O LEU D 40 8.671 1.207 -11.113 1.00 99.99 O ATOM 1484 CB LEU D 40 8.976 -0.691 -8.533 1.00 99.99 C ATOM 1485 CG LEU D 40 10.005 -1.487 -7.700 1.00 99.99 C ATOM 1486 CD1 LEU D 40 9.400 -2.843 -7.287 1.00 99.99 C ATOM 1487 CD2 LEU D 40 11.322 -1.710 -8.455 1.00 99.99 C ATOM 0 H LEU D 40 9.184 1.214 -6.900 1.00 99.99 H new ATOM 0 HA LEU D 40 10.415 0.708 -9.318 1.00 99.99 H new ATOM 0 HB2 LEU D 40 8.045 -0.632 -7.969 1.00 99.99 H new ATOM 0 HB3 LEU D 40 8.762 -1.250 -9.444 1.00 99.99 H new ATOM 0 HG LEU D 40 10.237 -0.895 -6.814 1.00 99.99 H new ATOM 0 HD11 LEU D 40 10.128 -3.402 -6.700 1.00 99.99 H new ATOM 0 HD12 LEU D 40 8.504 -2.675 -6.690 1.00 99.99 H new ATOM 0 HD13 LEU D 40 9.140 -3.412 -8.179 1.00 99.99 H new ATOM 0 HD21 LEU D 40 12.011 -2.274 -7.826 1.00 99.99 H new ATOM 0 HD22 LEU D 40 11.127 -2.268 -9.371 1.00 99.99 H new ATOM 0 HD23 LEU D 40 11.766 -0.746 -8.705 1.00 99.99 H new ATOM 1499 N TRP D 41 7.267 1.602 -9.489 1.00 99.99 N ATOM 1500 CA TRP D 41 6.189 2.067 -10.354 1.00 99.99 C ATOM 1501 C TRP D 41 6.603 3.375 -11.011 1.00 99.99 C ATOM 1502 O TRP D 41 6.363 3.546 -12.180 1.00 99.99 O ATOM 1503 CB TRP D 41 4.891 2.356 -9.587 1.00 99.99 C ATOM 1504 CG TRP D 41 3.722 2.740 -10.476 1.00 99.99 C ATOM 1505 CD1 TRP D 41 2.949 1.904 -11.223 1.00 99.99 C ATOM 1506 CD2 TRP D 41 3.289 4.078 -10.775 1.00 99.99 C ATOM 1507 NE1 TRP D 41 2.006 2.617 -11.907 1.00 99.99 N ATOM 1508 CE2 TRP D 41 2.220 3.956 -11.682 1.00 99.99 C ATOM 1509 CE3 TRP D 41 3.731 5.327 -10.326 1.00 99.99 C ATOM 1510 CZ2 TRP D 41 1.555 5.080 -12.149 1.00 99.99 C ATOM 1511 CZ3 TRP D 41 3.066 6.455 -10.811 1.00 99.99 C ATOM 1512 CH2 TRP D 41 1.990 6.341 -11.709 1.00 99.99 C ATOM 0 H TRP D 41 7.039 1.619 -8.495 1.00 99.99 H new ATOM 0 HA TRP D 41 6.008 1.271 -11.076 1.00 99.99 H new ATOM 0 HB2 TRP D 41 4.619 1.474 -9.007 1.00 99.99 H new ATOM 0 HB3 TRP D 41 5.073 3.161 -8.875 1.00 99.99 H new ATOM 0 HD1 TRP D 41 3.065 0.831 -11.268 1.00 99.99 H new ATOM 0 HE1 TRP D 41 1.266 2.222 -12.488 1.00 99.99 H new ATOM 0 HE3 TRP D 41 4.554 5.415 -9.632 1.00 99.99 H new ATOM 0 HZ2 TRP D 41 0.724 4.988 -12.833 1.00 99.99 H new ATOM 0 HZ3 TRP D 41 3.385 7.436 -10.490 1.00 99.99 H new ATOM 0 HH2 TRP D 41 1.493 7.232 -12.064 1.00 99.99 H new ATOM 1523 N ILE D 42 7.174 4.222 -10.270 1.00 99.99 N ATOM 1524 CA ILE D 42 7.599 5.530 -10.761 1.00 99.99 C ATOM 1525 C ILE D 42 8.700 5.343 -11.794 1.00 99.99 C ATOM 1526 O ILE D 42 8.676 6.005 -12.801 1.00 99.99 O ATOM 1527 CB ILE D 42 8.186 6.419 -9.660 1.00 99.99 C ATOM 1528 CG1 ILE D 42 7.066 6.890 -8.703 1.00 99.99 C ATOM 1529 CG2 ILE D 42 8.916 7.637 -10.266 1.00 99.99 C ATOM 1530 CD1 ILE D 42 7.579 7.711 -7.510 1.00 99.99 C ATOM 0 H ILE D 42 7.380 4.061 -9.284 1.00 99.99 H new ATOM 0 HA ILE D 42 6.709 6.008 -11.171 1.00 99.99 H new ATOM 0 HB ILE D 42 8.912 5.832 -9.097 1.00 99.99 H new ATOM 0 HG12 ILE D 42 6.349 7.489 -9.264 1.00 99.99 H new ATOM 0 HG13 ILE D 42 6.529 6.018 -8.329 1.00 99.99 H new ATOM 0 HG21 ILE D 42 9.324 8.253 -9.464 1.00 99.99 H new ATOM 0 HG22 ILE D 42 9.727 7.293 -10.908 1.00 99.99 H new ATOM 0 HG23 ILE D 42 8.213 8.227 -10.854 1.00 99.99 H new ATOM 0 HD11 ILE D 42 6.738 8.006 -6.883 1.00 99.99 H new ATOM 0 HD12 ILE D 42 8.273 7.108 -6.925 1.00 99.99 H new ATOM 0 HD13 ILE D 42 8.090 8.602 -7.874 1.00 99.99 H new ATOM 1542 N LEU D 43 9.594 4.495 -11.522 1.00 99.99 N ATOM 1543 CA LEU D 43 10.720 4.236 -12.410 1.00 99.99 C ATOM 1544 C LEU D 43 10.208 3.640 -13.713 1.00 99.99 C ATOM 1545 O LEU D 43 10.754 3.934 -14.746 1.00 99.99 O ATOM 1546 CB LEU D 43 11.715 3.221 -11.831 1.00 99.99 C ATOM 1547 CG LEU D 43 12.521 3.739 -10.617 1.00 99.99 C ATOM 1548 CD1 LEU D 43 13.282 2.579 -9.949 1.00 99.99 C ATOM 1549 CD2 LEU D 43 13.503 4.854 -11.010 1.00 99.99 C ATOM 0 H LEU D 43 9.598 3.933 -10.671 1.00 99.99 H new ATOM 0 HA LEU D 43 11.223 5.192 -12.552 1.00 99.99 H new ATOM 0 HB2 LEU D 43 11.170 2.325 -11.534 1.00 99.99 H new ATOM 0 HB3 LEU D 43 12.412 2.925 -12.615 1.00 99.99 H new ATOM 0 HG LEU D 43 11.808 4.162 -9.910 1.00 99.99 H new ATOM 0 HD11 LEU D 43 13.845 2.957 -9.096 1.00 99.99 H new ATOM 0 HD12 LEU D 43 12.571 1.825 -9.610 1.00 99.99 H new ATOM 0 HD13 LEU D 43 13.969 2.132 -10.668 1.00 99.99 H new ATOM 0 HD21 LEU D 43 14.047 5.187 -10.127 1.00 99.99 H new ATOM 0 HD22 LEU D 43 14.208 4.474 -11.749 1.00 99.99 H new ATOM 0 HD23 LEU D 43 12.951 5.693 -11.434 1.00 99.99 H new ATOM 1561 N ASP D 44 9.229 2.849 -13.625 1.00 99.99 N ATOM 1562 CA ASP D 44 8.654 2.186 -14.788 1.00 99.99 C ATOM 1563 C ASP D 44 7.988 3.224 -15.682 1.00 99.99 C ATOM 1564 O ASP D 44 8.114 3.134 -16.878 1.00 99.99 O ATOM 1565 CB ASP D 44 7.565 1.169 -14.421 1.00 99.99 C ATOM 1566 CG ASP D 44 7.028 0.411 -15.650 1.00 99.99 C ATOM 1567 OD1 ASP D 44 7.803 -0.370 -16.253 1.00 99.99 O ATOM 1568 OD2 ASP D 44 5.815 0.558 -15.986 1.00 99.99 O ATOM 0 H ASP D 44 8.770 2.615 -12.744 1.00 99.99 H new ATOM 0 HA ASP D 44 9.477 1.668 -15.281 1.00 99.99 H new ATOM 0 HB2 ASP D 44 7.967 0.453 -13.704 1.00 99.99 H new ATOM 0 HB3 ASP D 44 6.741 1.685 -13.928 1.00 99.99 H new ATOM 1573 N ARG D 45 7.327 4.127 -15.102 1.00 99.99 N ATOM 1574 CA ARG D 45 6.619 5.171 -15.835 1.00 99.99 C ATOM 1575 C ARG D 45 7.623 6.026 -16.593 1.00 99.99 C ATOM 1576 O ARG D 45 7.386 6.333 -17.734 1.00 99.99 O ATOM 1577 CB ARG D 45 5.845 6.126 -14.916 1.00 99.99 C ATOM 1578 CG ARG D 45 4.689 5.450 -14.151 1.00 99.99 C ATOM 1579 CD ARG D 45 3.463 5.174 -15.031 1.00 99.99 C ATOM 1580 NE ARG D 45 3.568 3.772 -15.574 1.00 99.99 N ATOM 1581 CZ ARG D 45 2.902 3.401 -16.684 1.00 99.99 C ATOM 1582 NH1 ARG D 45 2.099 4.255 -17.342 1.00 99.99 N ATOM 1583 NH2 ARG D 45 3.032 2.134 -17.111 1.00 99.99 N ATOM 0 H ARG D 45 7.237 4.197 -14.088 1.00 99.99 H new ATOM 0 HA ARG D 45 5.918 4.659 -16.494 1.00 99.99 H new ATOM 0 HB2 ARG D 45 6.537 6.565 -14.197 1.00 99.99 H new ATOM 0 HB3 ARG D 45 5.444 6.945 -15.513 1.00 99.99 H new ATOM 0 HG2 ARG D 45 5.043 4.510 -13.727 1.00 99.99 H new ATOM 0 HG3 ARG D 45 4.394 6.085 -13.316 1.00 99.99 H new ATOM 0 HD2 ARG D 45 2.547 5.288 -14.451 1.00 99.99 H new ATOM 0 HD3 ARG D 45 3.414 5.894 -15.848 1.00 99.99 H new ATOM 0 HE ARG D 45 4.155 3.091 -15.092 1.00 99.99 H new ATOM 0 HH11 ARG D 45 1.983 5.210 -17.003 1.00 99.99 H new ATOM 0 HH12 ARG D 45 1.606 3.948 -18.181 1.00 99.99 H new ATOM 0 HH21 ARG D 45 3.624 1.481 -16.597 1.00 99.99 H new ATOM 0 HH22 ARG D 45 2.539 1.825 -17.949 1.00 99.99 H new ATOM 1597 N LEU D 46 8.660 6.370 -15.963 1.00 99.99 N ATOM 1598 CA LEU D 46 9.693 7.209 -16.559 1.00 99.99 C ATOM 1599 C LEU D 46 10.364 6.452 -17.695 1.00 99.99 C ATOM 1600 O LEU D 46 11.049 5.455 -17.474 1.00 99.99 O ATOM 1601 CB LEU D 46 10.806 7.581 -15.570 1.00 99.99 C ATOM 1602 CG LEU D 46 10.395 8.359 -14.296 1.00 99.99 C ATOM 1603 CD1 LEU D 46 11.606 8.409 -13.346 1.00 99.99 C ATOM 1604 CD2 LEU D 46 9.891 9.777 -14.586 1.00 99.99 C ATOM 0 H LEU D 46 8.854 6.092 -15.001 1.00 99.99 H new ATOM 0 HA LEU D 46 9.192 8.117 -16.894 1.00 99.99 H new ATOM 0 HB2 LEU D 46 11.301 6.661 -15.258 1.00 99.99 H new ATOM 0 HB3 LEU D 46 11.546 8.176 -16.104 1.00 99.99 H new ATOM 0 HG LEU D 46 9.558 7.832 -13.838 1.00 99.99 H new ATOM 0 HD11 LEU D 46 11.336 8.954 -12.441 1.00 99.99 H new ATOM 0 HD12 LEU D 46 11.904 7.394 -13.083 1.00 99.99 H new ATOM 0 HD13 LEU D 46 12.436 8.915 -13.840 1.00 99.99 H new ATOM 0 HD21 LEU D 46 9.620 10.265 -13.650 1.00 99.99 H new ATOM 0 HD22 LEU D 46 10.677 10.349 -15.079 1.00 99.99 H new ATOM 0 HD23 LEU D 46 9.017 9.727 -15.235 1.00 99.99 H new TER 1616 LEU D 46 HETATM 1617 N1 308 C 1 -0.100 -0.016 2.519 1.00 0.00 N HETATM 1618 C10 308 C 1 -0.100 -0.016 3.988 1.00 0.00 C HETATM 1619 C7 308 C 1 -1.303 0.704 4.617 1.00 0.00 C HETATM 1620 C1 308 C 1 -1.156 0.700 6.093 1.00 0.00 C HETATM 1621 C8 308 C 1 -0.100 -1.448 4.515 1.00 0.00 C HETATM 1622 C5 308 C 1 0.050 -1.433 5.940 1.00 0.00 C HETATM 1623 C6 308 C 1 -1.108 -0.714 6.536 1.00 0.00 C HETATM 1624 C4 308 C 1 1.273 -0.661 6.383 1.00 0.00 C HETATM 1625 C9 308 C 1 1.131 0.798 4.458 1.00 0.00 C HETATM 1626 C3 308 C 1 1.233 0.693 5.903 1.00 0.00 C HETATM 1627 C2 308 C 1 0.080 1.375 6.568 1.00 0.00 C HETATM 0 HN1A 308 C 1 0.658 -0.470 2.009 1.00 0.00 H new HETATM 0 HN1 308 C 1 -0.858 0.438 2.009 1.00 0.00 H new HETATM 0 H9A 308 C 1 2.038 0.419 3.986 1.00 0.00 H new HETATM 0 H9 308 C 1 1.030 1.842 4.161 1.00 0.00 H new HETATM 0 H8A 308 C 1 -1.030 -1.947 4.242 1.00 0.00 H new HETATM 0 H8 308 C 1 0.712 -2.015 4.059 1.00 0.00 H new HETATM 0 H7A 308 C 1 -1.363 1.728 4.248 1.00 0.00 H new HETATM 0 H7 308 C 1 -2.230 0.207 4.330 1.00 0.00 H new HETATM 0 H6A 308 C 1 -1.042 -0.754 7.623 1.00 0.00 H new HETATM 0 H6 308 C 1 -2.034 -1.216 6.254 1.00 0.00 H new HETATM 0 H5 308 C 1 0.129 -2.473 6.258 1.00 0.00 H new HETATM 0 H4A 308 C 1 1.333 -0.662 7.471 1.00 0.00 H new HETATM 0 H4 308 C 1 2.172 -1.155 6.013 1.00 0.00 H new HETATM 0 H3 308 C 1 2.178 1.174 6.154 1.00 0.00 H new HETATM 0 H2A 308 C 1 0.062 2.435 6.316 1.00 0.00 H new HETATM 0 H2 308 C 1 0.165 1.306 7.653 1.00 0.00 H new HETATM 0 H1 308 C 1 -2.001 1.249 6.509 1.00 0.00 H new