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= 0.217 USER MOD Single : A 37 HIS : no HD1:sc= -1.45 X(o=-1.4,f=-1.2) 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 67:sc= 0.215 USER MOD Single : B 37 HIS : no HD1:sc= -1.42 X(o=-1.4,f=-1.2) 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 68:sc= 0.211 USER MOD Single : C 37 HIS : no HD1:sc= -1.45 X(o=-1.5,f=-1.2) 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= 0.215 USER MOD Single : D 37 HIS : no HD1:sc= -1.47 X(o=-1.5,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 22 0.527 10.397 18.948 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 1.400 7.859 18.451 1.00 99.99 O ATOM 5 CB SER A 22 2.529 11.006 17.541 1.00 99.99 C ATOM 6 OG SER A 22 3.498 10.757 18.558 1.00 99.99 O ATOM 0 HA SER A 22 0.575 10.372 16.861 1.00 99.99 H new ATOM 0 HB2 SER A 22 2.983 10.833 16.565 1.00 99.99 H new ATOM 0 HB3 SER A 22 2.238 12.056 17.575 1.00 99.99 H new ATOM 0 HG SER A 22 4.273 11.341 18.421 1.00 99.99 H new ATOM 11 N SER A 23 2.124 8.284 16.342 1.00 99.99 N ATOM 12 CA SER A 23 2.609 6.954 16.057 1.00 99.99 C ATOM 13 C SER A 23 4.036 7.130 15.603 1.00 99.99 C ATOM 14 O SER A 23 4.631 8.187 15.812 1.00 99.99 O ATOM 15 CB SER A 23 1.766 6.229 14.979 1.00 99.99 C ATOM 16 OG SER A 23 0.433 6.046 15.438 1.00 99.99 O ATOM 0 H SER A 23 2.219 8.926 15.555 1.00 99.99 H new ATOM 0 HA SER A 23 2.536 6.323 16.943 1.00 99.99 H new ATOM 0 HB2 SER A 23 1.764 6.810 14.057 1.00 99.99 H new ATOM 0 HB3 SER A 23 2.214 5.263 14.746 1.00 99.99 H new ATOM 0 HG SER A 23 -0.091 5.588 14.748 1.00 99.99 H new ATOM 22 N ASP A 24 4.634 6.075 14.992 1.00 99.99 N ATOM 23 CA ASP A 24 6.040 6.040 14.631 1.00 99.99 C ATOM 24 C ASP A 24 6.200 6.645 13.253 1.00 99.99 C ATOM 25 O ASP A 24 5.255 6.566 12.475 1.00 99.99 O ATOM 26 CB ASP A 24 6.599 4.590 14.597 1.00 99.99 C ATOM 27 CG ASP A 24 6.525 3.924 15.975 1.00 99.99 C ATOM 28 OD1 ASP A 24 6.439 4.649 17.003 1.00 99.99 O ATOM 29 OD2 ASP A 24 6.564 2.665 16.013 1.00 99.99 O ATOM 0 H ASP A 24 4.131 5.224 14.741 1.00 99.99 H new ATOM 0 HA ASP A 24 6.594 6.601 15.384 1.00 99.99 H new ATOM 0 HB2 ASP A 24 6.035 3.999 13.876 1.00 99.99 H new ATOM 0 HB3 ASP A 24 7.634 4.606 14.255 1.00 99.99 H new ATOM 34 N PRO A 25 7.319 7.272 12.883 1.00 99.99 N ATOM 35 CA PRO A 25 7.379 8.156 11.728 1.00 99.99 C ATOM 36 C PRO A 25 7.382 7.408 10.414 1.00 99.99 C ATOM 37 O PRO A 25 6.974 8.008 9.431 1.00 99.99 O ATOM 38 CB PRO A 25 8.685 8.946 11.911 1.00 99.99 C ATOM 39 CG PRO A 25 9.545 8.055 12.810 1.00 99.99 C ATOM 40 CD PRO A 25 8.507 7.406 13.722 1.00 99.99 C ATOM 0 HA PRO A 25 6.498 8.796 11.681 1.00 99.99 H new ATOM 0 HB2 PRO A 25 9.173 9.135 10.955 1.00 99.99 H new ATOM 0 HB3 PRO A 25 8.501 9.916 12.372 1.00 99.99 H new ATOM 0 HG2 PRO A 25 10.100 7.314 12.235 1.00 99.99 H new ATOM 0 HG3 PRO A 25 10.276 8.633 13.375 1.00 99.99 H new ATOM 0 HD2 PRO A 25 8.848 6.437 14.085 1.00 99.99 H new ATOM 0 HD3 PRO A 25 8.307 8.023 14.598 1.00 99.99 H new ATOM 48 N LEU A 26 7.840 6.136 10.377 1.00 99.99 N ATOM 49 CA LEU A 26 7.814 5.213 9.250 1.00 99.99 C ATOM 50 C LEU A 26 6.382 4.766 8.996 1.00 99.99 C ATOM 51 O LEU A 26 5.980 4.706 7.862 1.00 99.99 O ATOM 52 CB LEU A 26 8.627 3.936 9.503 1.00 99.99 C ATOM 53 CG LEU A 26 8.477 2.810 8.455 1.00 99.99 C ATOM 54 CD1 LEU A 26 8.995 3.215 7.073 1.00 99.99 C ATOM 55 CD2 LEU A 26 9.176 1.534 8.943 1.00 99.99 C ATOM 0 H LEU A 26 8.266 5.710 11.200 1.00 99.99 H new ATOM 0 HA LEU A 26 8.245 5.752 8.406 1.00 99.99 H new ATOM 0 HB2 LEU A 26 9.681 4.208 9.565 1.00 99.99 H new ATOM 0 HB3 LEU A 26 8.343 3.537 10.477 1.00 99.99 H new ATOM 0 HG LEU A 26 7.410 2.616 8.344 1.00 99.99 H new ATOM 0 HD11 LEU A 26 8.864 2.386 6.378 1.00 99.99 H new ATOM 0 HD12 LEU A 26 8.437 4.080 6.715 1.00 99.99 H new ATOM 0 HD13 LEU A 26 10.053 3.468 7.141 1.00 99.99 H new ATOM 0 HD21 LEU A 26 9.063 0.749 8.196 1.00 99.99 H new ATOM 0 HD22 LEU A 26 10.236 1.737 9.099 1.00 99.99 H new ATOM 0 HD23 LEU A 26 8.727 1.209 9.881 1.00 99.99 H new ATOM 67 N VAL A 27 5.695 4.475 10.014 1.00 99.99 N ATOM 68 CA VAL A 27 4.316 4.009 9.916 1.00 99.99 C ATOM 69 C VAL A 27 3.440 5.133 9.384 1.00 99.99 C ATOM 70 O VAL A 27 2.644 4.892 8.512 1.00 99.99 O ATOM 71 CB VAL A 27 3.725 3.605 11.274 1.00 99.99 C ATOM 72 CG1 VAL A 27 2.235 3.237 11.133 1.00 99.99 C ATOM 73 CG2 VAL A 27 4.501 2.393 11.835 1.00 99.99 C ATOM 0 H VAL A 27 6.045 4.542 10.970 1.00 99.99 H new ATOM 0 HA VAL A 27 4.333 3.140 9.258 1.00 99.99 H new ATOM 0 HB VAL A 27 3.813 4.451 11.956 1.00 99.99 H new ATOM 0 HG11 VAL A 27 1.836 2.954 12.107 1.00 99.99 H new ATOM 0 HG12 VAL A 27 1.683 4.095 10.751 1.00 99.99 H new ATOM 0 HG13 VAL A 27 2.131 2.401 10.441 1.00 99.99 H new ATOM 0 HG21 VAL A 27 4.081 2.107 12.799 1.00 99.99 H new ATOM 0 HG22 VAL A 27 4.420 1.556 11.141 1.00 99.99 H new ATOM 0 HG23 VAL A 27 5.550 2.660 11.961 1.00 99.99 H new ATOM 83 N VAL A 28 3.602 6.271 9.907 1.00 99.99 N ATOM 84 CA VAL A 28 2.813 7.432 9.512 1.00 99.99 C ATOM 85 C VAL A 28 3.185 7.834 8.094 1.00 99.99 C ATOM 86 O VAL A 28 2.309 8.118 7.316 1.00 99.99 O ATOM 87 CB VAL A 28 3.074 8.659 10.395 1.00 99.99 C ATOM 88 CG1 VAL A 28 2.359 9.909 9.841 1.00 99.99 C ATOM 89 CG2 VAL A 28 2.605 8.374 11.835 1.00 99.99 C ATOM 0 H VAL A 28 4.288 6.464 10.637 1.00 99.99 H new ATOM 0 HA VAL A 28 1.767 7.139 9.606 1.00 99.99 H new ATOM 0 HB VAL A 28 4.146 8.859 10.395 1.00 99.99 H new ATOM 0 HG11 VAL A 28 2.563 10.762 10.488 1.00 99.99 H new ATOM 0 HG12 VAL A 28 2.723 10.121 8.836 1.00 99.99 H new ATOM 0 HG13 VAL A 28 1.285 9.728 9.807 1.00 99.99 H new ATOM 0 HG21 VAL A 28 2.792 9.248 12.458 1.00 99.99 H new ATOM 0 HG22 VAL A 28 1.538 8.152 11.833 1.00 99.99 H new ATOM 0 HG23 VAL A 28 3.153 7.520 12.234 1.00 99.99 H new ATOM 99 N ALA A 29 4.415 7.853 7.817 1.00 99.99 N ATOM 100 CA ALA A 29 4.916 8.246 6.503 1.00 99.99 C ATOM 101 C ALA A 29 4.376 7.286 5.453 1.00 99.99 C ATOM 102 O ALA A 29 3.985 7.731 4.402 1.00 99.99 O ATOM 103 CB ALA A 29 6.445 8.180 6.403 1.00 99.99 C ATOM 0 H ALA A 29 5.146 7.598 8.481 1.00 99.99 H new ATOM 0 HA ALA A 29 4.590 9.274 6.345 1.00 99.99 H new ATOM 0 HB1 ALA A 29 6.758 8.483 5.404 1.00 99.99 H new ATOM 0 HB2 ALA A 29 6.887 8.850 7.140 1.00 99.99 H new ATOM 0 HB3 ALA A 29 6.778 7.160 6.594 1.00 99.99 H new ATOM 109 N ALA A 30 4.378 6.060 5.752 1.00 99.99 N ATOM 110 CA ALA A 30 3.912 5.031 4.830 1.00 99.99 C ATOM 111 C ALA A 30 2.439 5.253 4.528 1.00 99.99 C ATOM 112 O ALA A 30 2.028 5.019 3.417 1.00 99.99 O ATOM 113 CB ALA A 30 4.025 3.615 5.411 1.00 99.99 C ATOM 0 H ALA A 30 4.701 5.699 6.649 1.00 99.99 H new ATOM 0 HA ALA A 30 4.541 5.108 3.943 1.00 99.99 H new ATOM 0 HB1 ALA A 30 3.664 2.892 4.680 1.00 99.99 H new ATOM 0 HB2 ALA A 30 5.067 3.401 5.648 1.00 99.99 H new ATOM 0 HB3 ALA A 30 3.425 3.545 6.318 1.00 99.99 H new ATOM 119 N SER A 31 1.725 5.674 5.477 1.00 99.99 N ATOM 120 CA SER A 31 0.292 5.907 5.335 1.00 99.99 C ATOM 121 C SER A 31 0.061 6.990 4.292 1.00 99.99 C ATOM 122 O SER A 31 -0.771 6.813 3.438 1.00 99.99 O ATOM 123 CB SER A 31 -0.365 6.403 6.629 1.00 99.99 C ATOM 124 OG SER A 31 -0.317 5.397 7.640 1.00 99.99 O ATOM 0 H SER A 31 2.089 5.882 6.407 1.00 99.99 H new ATOM 0 HA SER A 31 -0.148 4.950 5.056 1.00 99.99 H new ATOM 0 HB2 SER A 31 0.144 7.301 6.979 1.00 99.99 H new ATOM 0 HB3 SER A 31 -1.401 6.679 6.433 1.00 99.99 H new ATOM 0 HG SER A 31 0.615 5.233 7.894 1.00 99.99 H new ATOM 130 N ILE A 32 0.765 8.033 4.395 1.00 99.99 N ATOM 131 CA ILE A 32 0.629 9.160 3.480 1.00 99.99 C ATOM 132 C ILE A 32 1.032 8.726 2.079 1.00 99.99 C ATOM 133 O ILE A 32 0.420 9.151 1.135 1.00 99.99 O ATOM 134 CB ILE A 32 1.540 10.339 3.848 1.00 99.99 C ATOM 135 CG1 ILE A 32 1.109 10.943 5.203 1.00 99.99 C ATOM 136 CG2 ILE A 32 1.505 11.425 2.751 1.00 99.99 C ATOM 137 CD1 ILE A 32 2.166 11.878 5.807 1.00 99.99 C ATOM 0 H ILE A 32 1.474 8.166 5.116 1.00 99.99 H new ATOM 0 HA ILE A 32 -0.412 9.477 3.539 1.00 99.99 H new ATOM 0 HB ILE A 32 2.561 9.967 3.931 1.00 99.99 H new ATOM 0 HG12 ILE A 32 0.178 11.494 5.069 1.00 99.99 H new ATOM 0 HG13 ILE A 32 0.903 10.135 5.905 1.00 99.99 H new ATOM 0 HG21 ILE A 32 2.158 12.250 3.035 1.00 99.99 H new ATOM 0 HG22 ILE A 32 1.846 11.000 1.807 1.00 99.99 H new ATOM 0 HG23 ILE A 32 0.485 11.793 2.636 1.00 99.99 H new ATOM 0 HD11 ILE A 32 1.804 12.270 6.758 1.00 99.99 H new ATOM 0 HD12 ILE A 32 3.090 11.324 5.971 1.00 99.99 H new ATOM 0 HD13 ILE A 32 2.355 12.704 5.122 1.00 99.99 H new ATOM 149 N ILE A 33 2.010 7.933 1.996 1.00 99.99 N ATOM 150 CA ILE A 33 2.523 7.455 0.717 1.00 99.99 C ATOM 151 C ILE A 33 1.429 6.682 -0.007 1.00 99.99 C ATOM 152 O ILE A 33 1.227 6.907 -1.172 1.00 99.99 O ATOM 153 CB ILE A 33 3.705 6.488 0.869 1.00 99.99 C ATOM 154 CG1 ILE A 33 4.999 7.318 1.059 1.00 99.99 C ATOM 155 CG2 ILE A 33 3.835 5.536 -0.334 1.00 99.99 C ATOM 156 CD1 ILE A 33 6.196 6.525 1.594 1.00 99.99 C ATOM 0 H ILE A 33 2.511 7.569 2.807 1.00 99.99 H new ATOM 0 HA ILE A 33 2.851 8.339 0.171 1.00 99.99 H new ATOM 0 HB ILE A 33 3.533 5.858 1.741 1.00 99.99 H new ATOM 0 HG12 ILE A 33 5.273 7.762 0.102 1.00 99.99 H new ATOM 0 HG13 ILE A 33 4.790 8.140 1.744 1.00 99.99 H new ATOM 0 HG21 ILE A 33 4.685 4.871 -0.181 1.00 99.99 H new ATOM 0 HG22 ILE A 33 2.924 4.945 -0.430 1.00 99.99 H new ATOM 0 HG23 ILE A 33 3.988 6.117 -1.243 1.00 99.99 H new ATOM 0 HD11 ILE A 33 7.056 7.188 1.695 1.00 99.99 H new ATOM 0 HD12 ILE A 33 5.947 6.103 2.568 1.00 99.99 H new ATOM 0 HD13 ILE A 33 6.438 5.719 0.901 1.00 99.99 H new ATOM 168 N GLY A 34 0.791 5.835 0.677 1.00 99.99 N ATOM 169 CA GLY A 34 -0.267 5.008 0.105 1.00 99.99 C ATOM 170 C GLY A 34 -1.430 5.893 -0.310 1.00 99.99 C ATOM 171 O GLY A 34 -2.046 5.619 -1.309 1.00 99.99 O ATOM 0 H GLY A 34 0.963 5.665 1.668 1.00 99.99 H new ATOM 0 HA2 GLY A 34 0.112 4.458 -0.757 1.00 99.99 H new ATOM 0 HA3 GLY A 34 -0.600 4.269 0.834 1.00 99.99 H new ATOM 175 N ILE A 35 -1.375 7.166 0.050 1.00 99.99 N ATOM 176 CA ILE A 35 -2.418 8.045 -0.470 1.00 99.99 C ATOM 177 C ILE A 35 -1.905 8.757 -1.712 1.00 99.99 C ATOM 178 O ILE A 35 -2.600 8.789 -2.696 1.00 99.99 O ATOM 179 CB ILE A 35 -2.823 9.142 0.522 1.00 99.99 C ATOM 180 CG1 ILE A 35 -3.352 8.513 1.836 1.00 99.99 C ATOM 181 CG2 ILE A 35 -3.899 10.050 -0.112 1.00 99.99 C ATOM 182 CD1 ILE A 35 -3.491 9.490 3.007 1.00 99.99 C ATOM 0 H ILE A 35 -0.675 7.594 0.656 1.00 99.99 H new ATOM 0 HA ILE A 35 -3.280 7.409 -0.674 1.00 99.99 H new ATOM 0 HB ILE A 35 -1.947 9.745 0.759 1.00 99.99 H new ATOM 0 HG12 ILE A 35 -4.325 8.062 1.640 1.00 99.99 H new ATOM 0 HG13 ILE A 35 -2.681 7.707 2.132 1.00 99.99 H new ATOM 0 HG21 ILE A 35 -4.183 10.827 0.597 1.00 99.99 H new ATOM 0 HG22 ILE A 35 -3.500 10.511 -1.015 1.00 99.99 H new ATOM 0 HG23 ILE A 35 -4.775 9.453 -0.366 1.00 99.99 H new ATOM 0 HD11 ILE A 35 -3.867 8.959 3.881 1.00 99.99 H new ATOM 0 HD12 ILE A 35 -2.518 9.923 3.237 1.00 99.99 H new ATOM 0 HD13 ILE A 35 -4.187 10.284 2.738 1.00 99.99 H new ATOM 194 N LEU A 36 -0.761 9.280 -1.630 1.00 99.99 N ATOM 195 CA LEU A 36 -0.158 10.018 -2.736 1.00 99.99 C ATOM 196 C LEU A 36 -0.035 9.100 -3.942 1.00 99.99 C ATOM 197 O LEU A 36 -0.319 9.525 -5.033 1.00 99.99 O ATOM 198 CB LEU A 36 1.259 10.512 -2.421 1.00 99.99 C ATOM 199 CG LEU A 36 2.003 11.185 -3.594 1.00 99.99 C ATOM 200 CD1 LEU A 36 1.284 12.463 -4.047 1.00 99.99 C ATOM 201 CD2 LEU A 36 3.462 11.481 -3.223 1.00 99.99 C ATOM 0 H LEU A 36 -0.176 9.229 -0.796 1.00 99.99 H new ATOM 0 HA LEU A 36 -0.804 10.876 -2.921 1.00 99.99 H new ATOM 0 HB2 LEU A 36 1.203 11.221 -1.595 1.00 99.99 H new ATOM 0 HB3 LEU A 36 1.852 9.665 -2.075 1.00 99.99 H new ATOM 0 HG LEU A 36 2.002 10.487 -4.431 1.00 99.99 H new ATOM 0 HD11 LEU A 36 1.831 12.915 -4.874 1.00 99.99 H new ATOM 0 HD12 LEU A 36 0.273 12.216 -4.372 1.00 99.99 H new ATOM 0 HD13 LEU A 36 1.236 13.167 -3.216 1.00 99.99 H new ATOM 0 HD21 LEU A 36 3.963 11.955 -4.067 1.00 99.99 H new ATOM 0 HD22 LEU A 36 3.490 12.149 -2.362 1.00 99.99 H new ATOM 0 HD23 LEU A 36 3.971 10.549 -2.976 1.00 99.99 H new ATOM 213 N HIS A 37 0.413 7.838 -3.750 1.00 99.99 N ATOM 214 CA HIS A 37 0.633 6.873 -4.800 1.00 99.99 C ATOM 215 C HIS A 37 -0.668 6.543 -5.482 1.00 99.99 C ATOM 216 O HIS A 37 -0.690 6.202 -6.662 1.00 99.99 O ATOM 217 CB HIS A 37 1.256 5.567 -4.250 1.00 99.99 C ATOM 218 CG HIS A 37 1.689 4.592 -5.314 1.00 99.99 C ATOM 219 ND1 HIS A 37 1.954 3.277 -5.042 1.00 99.99 N ATOM 220 CD2 HIS A 37 1.945 4.785 -6.630 1.00 99.99 C ATOM 221 CE1 HIS A 37 2.348 2.689 -6.163 1.00 99.99 C ATOM 222 NE2 HIS A 37 2.351 3.583 -7.142 1.00 99.99 N ATOM 0 H HIS A 37 0.632 7.473 -2.823 1.00 99.99 H new ATOM 0 HA HIS A 37 1.327 7.319 -5.512 1.00 99.99 H new ATOM 0 HB2 HIS A 37 2.118 5.821 -3.633 1.00 99.99 H new ATOM 0 HB3 HIS A 37 0.531 5.078 -3.599 1.00 99.99 H new ATOM 0 HD2 HIS A 37 1.847 5.713 -7.173 1.00 99.99 H new ATOM 0 HE1 HIS A 37 2.622 1.649 -6.263 1.00 99.99 H new ATOM 0 HE2 HIS A 37 2.612 3.405 -8.112 1.00 99.99 H new ATOM 230 N LEU A 38 -1.794 6.683 -4.740 1.00 99.99 N ATOM 231 CA LEU A 38 -3.130 6.424 -5.263 1.00 99.99 C ATOM 232 C LEU A 38 -3.516 7.533 -6.230 1.00 99.99 C ATOM 233 O LEU A 38 -4.049 7.245 -7.271 1.00 99.99 O ATOM 234 CB LEU A 38 -4.208 6.407 -4.171 1.00 99.99 C ATOM 235 CG LEU A 38 -5.635 6.158 -4.717 1.00 99.99 C ATOM 236 CD1 LEU A 38 -5.735 4.818 -5.457 1.00 99.99 C ATOM 237 CD2 LEU A 38 -6.695 6.241 -3.618 1.00 99.99 C ATOM 0 H LEU A 38 -1.786 6.979 -3.764 1.00 99.99 H new ATOM 0 HA LEU A 38 -3.086 5.444 -5.739 1.00 99.99 H new ATOM 0 HB2 LEU A 38 -3.965 5.632 -3.444 1.00 99.99 H new ATOM 0 HB3 LEU A 38 -4.191 7.359 -3.640 1.00 99.99 H new ATOM 0 HG LEU A 38 -5.833 6.957 -5.432 1.00 99.99 H new ATOM 0 HD11 LEU A 38 -6.752 4.680 -5.825 1.00 99.99 H new ATOM 0 HD12 LEU A 38 -5.041 4.814 -6.298 1.00 99.99 H new ATOM 0 HD13 LEU A 38 -5.483 4.006 -4.775 1.00 99.99 H new ATOM 0 HD21 LEU A 38 -7.680 6.060 -4.048 1.00 99.99 H new ATOM 0 HD22 LEU A 38 -6.488 5.490 -2.856 1.00 99.99 H new ATOM 0 HD23 LEU A 38 -6.673 7.233 -3.166 1.00 99.99 H new ATOM 249 N ILE A 39 -3.251 8.711 -5.870 1.00 99.99 N ATOM 250 CA ILE A 39 -3.590 9.873 -6.685 1.00 99.99 C ATOM 251 C ILE A 39 -2.771 9.841 -7.967 1.00 99.99 C ATOM 252 O ILE A 39 -3.309 10.109 -9.013 1.00 99.99 O ATOM 253 CB ILE A 39 -3.262 11.205 -5.995 1.00 99.99 C ATOM 254 CG1 ILE A 39 -4.186 11.404 -4.773 1.00 99.99 C ATOM 255 CG2 ILE A 39 -3.420 12.375 -6.989 1.00 99.99 C ATOM 256 CD1 ILE A 39 -3.817 12.617 -3.909 1.00 99.99 C ATOM 0 H ILE A 39 -2.785 8.941 -4.992 1.00 99.99 H new ATOM 0 HA ILE A 39 -4.664 9.818 -6.865 1.00 99.99 H new ATOM 0 HB ILE A 39 -2.227 11.183 -5.653 1.00 99.99 H new ATOM 0 HG12 ILE A 39 -5.213 11.516 -5.120 1.00 99.99 H new ATOM 0 HG13 ILE A 39 -4.154 10.506 -4.155 1.00 99.99 H new ATOM 0 HG21 ILE A 39 -3.184 13.313 -6.487 1.00 99.99 H new ATOM 0 HG22 ILE A 39 -2.741 12.233 -7.829 1.00 99.99 H new ATOM 0 HG23 ILE A 39 -4.447 12.406 -7.354 1.00 99.99 H new ATOM 0 HD11 ILE A 39 -4.510 12.691 -3.071 1.00 99.99 H new ATOM 0 HD12 ILE A 39 -2.802 12.499 -3.531 1.00 99.99 H new ATOM 0 HD13 ILE A 39 -3.877 13.524 -4.511 1.00 99.99 H new ATOM 268 N LEU A 40 -1.553 9.540 -7.852 1.00 99.99 N ATOM 269 CA LEU A 40 -0.647 9.497 -8.993 1.00 99.99 C ATOM 270 C LEU A 40 -1.135 8.453 -9.986 1.00 99.99 C ATOM 271 O LEU A 40 -1.147 8.723 -11.161 1.00 99.99 O ATOM 272 CB LEU A 40 0.782 9.091 -8.608 1.00 99.99 C ATOM 273 CG LEU A 40 1.579 10.142 -7.804 1.00 99.99 C ATOM 274 CD1 LEU A 40 2.943 9.553 -7.392 1.00 99.99 C ATOM 275 CD2 LEU A 40 1.786 11.444 -8.589 1.00 99.99 C ATOM 0 H LEU A 40 -1.112 9.306 -6.963 1.00 99.99 H new ATOM 0 HA LEU A 40 -0.635 10.504 -9.409 1.00 99.99 H new ATOM 0 HB2 LEU A 40 0.735 8.172 -8.024 1.00 99.99 H new ATOM 0 HB3 LEU A 40 1.334 8.862 -9.520 1.00 99.99 H new ATOM 0 HG LEU A 40 0.995 10.390 -6.917 1.00 99.99 H new ATOM 0 HD11 LEU A 40 3.504 10.296 -6.825 1.00 99.99 H new ATOM 0 HD12 LEU A 40 2.786 8.668 -6.775 1.00 99.99 H new ATOM 0 HD13 LEU A 40 3.505 9.278 -8.284 1.00 99.99 H new ATOM 0 HD21 LEU A 40 2.351 12.150 -7.980 1.00 99.99 H new ATOM 0 HD22 LEU A 40 2.337 11.233 -9.505 1.00 99.99 H new ATOM 0 HD23 LEU A 40 0.817 11.876 -8.840 1.00 99.99 H new ATOM 287 N TRP A 41 -1.503 7.345 -9.507 1.00 99.99 N ATOM 288 CA TRP A 41 -1.968 6.247 -10.344 1.00 99.99 C ATOM 289 C TRP A 41 -3.291 6.633 -10.988 1.00 99.99 C ATOM 290 O TRP A 41 -3.477 6.369 -12.150 1.00 99.99 O ATOM 291 CB TRP A 41 -2.230 4.960 -9.550 1.00 99.99 C ATOM 292 CG TRP A 41 -2.614 3.770 -10.412 1.00 99.99 C ATOM 293 CD1 TRP A 41 -1.780 2.994 -11.157 1.00 99.99 C ATOM 294 CD2 TRP A 41 -3.951 3.316 -10.682 1.00 99.99 C ATOM 295 NE1 TRP A 41 -2.493 2.030 -11.813 1.00 99.99 N ATOM 296 CE2 TRP A 41 -3.830 2.232 -11.571 1.00 99.99 C ATOM 297 CE3 TRP A 41 -5.198 3.752 -10.221 1.00 99.99 C ATOM 298 CZ2 TRP A 41 -4.953 1.546 -12.008 1.00 99.99 C ATOM 299 CZ3 TRP A 41 -6.325 3.065 -10.676 1.00 99.99 C ATOM 300 CH2 TRP A 41 -6.213 1.975 -11.557 1.00 99.99 C ATOM 0 H TRP A 41 -1.503 7.135 -8.509 1.00 99.99 H new ATOM 0 HA TRP A 41 -1.180 6.063 -11.074 1.00 99.99 H new ATOM 0 HB2 TRP A 41 -1.336 4.709 -8.979 1.00 99.99 H new ATOM 0 HB3 TRP A 41 -3.026 5.146 -8.829 1.00 99.99 H new ATOM 0 HD1 TRP A 41 -0.709 3.122 -11.221 1.00 99.99 H new ATOM 0 HE1 TRP A 41 -2.098 1.285 -12.387 1.00 99.99 H new ATOM 0 HE3 TRP A 41 -5.285 4.586 -9.541 1.00 99.99 H new ATOM 0 HZ2 TRP A 41 -4.862 0.704 -12.678 1.00 99.99 H new ATOM 0 HZ3 TRP A 41 -7.304 3.378 -10.344 1.00 99.99 H new ATOM 0 HH2 TRP A 41 -7.103 1.463 -11.890 1.00 99.99 H new ATOM 311 N ILE A 42 -4.133 7.209 -10.244 1.00 99.99 N ATOM 312 CA ILE A 42 -5.452 7.610 -10.723 1.00 99.99 C ATOM 313 C ILE A 42 -5.295 8.703 -11.770 1.00 99.99 C ATOM 314 O ILE A 42 -5.974 8.661 -12.766 1.00 99.99 O ATOM 315 CB ILE A 42 -6.335 8.197 -9.616 1.00 99.99 C ATOM 316 CG1 ILE A 42 -6.778 7.081 -8.641 1.00 99.99 C ATOM 317 CG2 ILE A 42 -7.571 8.904 -10.214 1.00 99.99 C ATOM 318 CD1 ILE A 42 -7.590 7.596 -7.443 1.00 99.99 C ATOM 0 H ILE A 42 -3.959 7.435 -9.265 1.00 99.99 H new ATOM 0 HA ILE A 42 -5.922 6.709 -11.118 1.00 99.99 H new ATOM 0 HB ILE A 42 -5.751 8.937 -9.068 1.00 99.99 H new ATOM 0 HG12 ILE A 42 -7.375 6.350 -9.186 1.00 99.99 H new ATOM 0 HG13 ILE A 42 -5.894 6.560 -8.273 1.00 99.99 H new ATOM 0 HG21 ILE A 42 -8.182 9.312 -9.409 1.00 99.99 H new ATOM 0 HG22 ILE A 42 -7.246 9.713 -10.869 1.00 99.99 H new ATOM 0 HG23 ILE A 42 -8.159 8.187 -10.787 1.00 99.99 H new ATOM 0 HD11 ILE A 42 -7.866 6.758 -6.803 1.00 99.99 H new ATOM 0 HD12 ILE A 42 -6.989 8.305 -6.874 1.00 99.99 H new ATOM 0 HD13 ILE A 42 -8.492 8.091 -7.801 1.00 99.99 H new ATOM 330 N LEU A 43 -4.452 9.608 -11.521 1.00 99.99 N ATOM 331 CA LEU A 43 -4.221 10.728 -12.425 1.00 99.99 C ATOM 332 C LEU A 43 -3.630 10.210 -13.729 1.00 99.99 C ATOM 333 O LEU A 43 -3.922 10.756 -14.762 1.00 99.99 O ATOM 334 CB LEU A 43 -3.216 11.745 -11.869 1.00 99.99 C ATOM 335 CG LEU A 43 -3.733 12.558 -10.659 1.00 99.99 C ATOM 336 CD1 LEU A 43 -2.578 13.344 -10.012 1.00 99.99 C ATOM 337 CD2 LEU A 43 -4.867 13.517 -11.052 1.00 99.99 C ATOM 0 H LEU A 43 -3.875 9.626 -10.680 1.00 99.99 H new ATOM 0 HA LEU A 43 -5.187 11.214 -12.563 1.00 99.99 H new ATOM 0 HB2 LEU A 43 -2.308 11.218 -11.576 1.00 99.99 H new ATOM 0 HB3 LEU A 43 -2.940 12.437 -12.665 1.00 99.99 H new ATOM 0 HG LEU A 43 -4.137 11.847 -9.938 1.00 99.99 H new ATOM 0 HD11 LEU A 43 -2.956 13.912 -9.162 1.00 99.99 H new ATOM 0 HD12 LEU A 43 -1.810 12.649 -9.672 1.00 99.99 H new ATOM 0 HD13 LEU A 43 -2.149 14.029 -10.744 1.00 99.99 H new ATOM 0 HD21 LEU A 43 -5.199 14.067 -10.172 1.00 99.99 H new ATOM 0 HD22 LEU A 43 -4.506 14.219 -11.804 1.00 99.99 H new ATOM 0 HD23 LEU A 43 -5.701 12.946 -11.460 1.00 99.99 H new ATOM 349 N ASP A 44 -2.845 9.226 -13.641 1.00 99.99 N ATOM 350 CA ASP A 44 -2.188 8.646 -14.804 1.00 99.99 C ATOM 351 C ASP A 44 -3.231 7.978 -15.691 1.00 99.99 C ATOM 352 O ASP A 44 -3.146 8.098 -16.887 1.00 99.99 O ATOM 353 CB ASP A 44 -1.172 7.555 -14.436 1.00 99.99 C ATOM 354 CG ASP A 44 -0.420 7.012 -15.667 1.00 99.99 C ATOM 355 OD1 ASP A 44 0.360 7.783 -16.276 1.00 99.99 O ATOM 356 OD2 ASP A 44 -0.570 5.798 -15.997 1.00 99.99 O ATOM 0 H ASP A 44 -2.613 8.767 -12.760 1.00 99.99 H new ATOM 0 HA ASP A 44 -1.670 9.466 -15.302 1.00 99.99 H new ATOM 0 HB2 ASP A 44 -0.453 7.958 -13.723 1.00 99.99 H new ATOM 0 HB3 ASP A 44 -1.689 6.734 -13.938 1.00 99.99 H new ATOM 361 N ARG A 45 -4.134 7.322 -15.104 1.00 99.99 N ATOM 362 CA ARG A 45 -5.182 6.613 -15.830 1.00 99.99 C ATOM 363 C ARG A 45 -6.039 7.615 -16.588 1.00 99.99 C ATOM 364 O ARG A 45 -6.360 7.370 -17.723 1.00 99.99 O ATOM 365 CB ARG A 45 -6.134 5.844 -14.904 1.00 99.99 C ATOM 366 CG ARG A 45 -5.457 4.689 -14.138 1.00 99.99 C ATOM 367 CD ARG A 45 -5.186 3.459 -15.015 1.00 99.99 C ATOM 368 NE ARG A 45 -3.787 3.560 -15.564 1.00 99.99 N ATOM 369 CZ ARG A 45 -3.422 2.890 -16.674 1.00 99.99 C ATOM 370 NH1 ARG A 45 -4.281 2.086 -17.325 1.00 99.99 N ATOM 371 NH2 ARG A 45 -2.157 3.017 -17.108 1.00 99.99 N ATOM 0 H ARG A 45 -4.201 7.237 -14.090 1.00 99.99 H new ATOM 0 HA ARG A 45 -4.673 5.909 -16.489 1.00 99.99 H new ATOM 0 HB2 ARG A 45 -6.568 6.539 -14.185 1.00 99.99 H new ATOM 0 HB3 ARG A 45 -6.957 5.443 -15.496 1.00 99.99 H new ATOM 0 HG2 ARG A 45 -4.515 5.043 -13.718 1.00 99.99 H new ATOM 0 HG3 ARG A 45 -6.090 4.397 -13.300 1.00 99.99 H new ATOM 0 HD2 ARG A 45 -5.298 2.546 -14.431 1.00 99.99 H new ATOM 0 HD3 ARG A 45 -5.909 3.408 -15.829 1.00 99.99 H new ATOM 0 HE ARG A 45 -3.103 4.147 -15.086 1.00 99.99 H new ATOM 0 HH11 ARG A 45 -5.234 1.972 -16.980 1.00 99.99 H new ATOM 0 HH12 ARG A 45 -3.979 1.590 -18.164 1.00 99.99 H new ATOM 0 HH21 ARG A 45 -1.500 3.609 -16.600 1.00 99.99 H new ATOM 0 HH22 ARG A 45 -1.853 2.521 -17.946 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 -6.455 10.357 -17.701 1.00 99.99 C ATOM 388 O LEU A 46 -5.455 11.040 -17.487 1.00 99.99 O ATOM 389 CB LEU A 46 -7.573 10.811 -15.573 1.00 99.99 C ATOM 390 CG LEU A 46 -8.346 10.407 -14.293 1.00 99.99 C ATOM 391 CD1 LEU A 46 -8.388 11.622 -13.347 1.00 99.99 C ATOM 392 CD2 LEU A 46 -9.767 9.906 -14.575 1.00 99.99 C ATOM 0 H LEU A 46 -6.080 8.860 -15.006 1.00 99.99 H new ATOM 0 HA LEU A 46 -8.121 9.194 -16.887 1.00 99.99 H new ATOM 0 HB2 LEU A 46 -6.650 11.305 -15.268 1.00 99.99 H new ATOM 0 HB3 LEU A 46 -8.169 11.551 -16.107 1.00 99.99 H new ATOM 0 HG LEU A 46 -7.819 9.570 -13.834 1.00 99.99 H new ATOM 0 HD11 LEU A 46 -8.929 11.357 -12.439 1.00 99.99 H new ATOM 0 HD12 LEU A 46 -7.371 11.919 -13.090 1.00 99.99 H new ATOM 0 HD13 LEU A 46 -8.894 12.451 -13.842 1.00 99.99 H new ATOM 0 HD21 LEU A 46 -10.252 9.640 -13.636 1.00 99.99 H new ATOM 0 HD22 LEU A 46 -10.339 10.692 -15.069 1.00 99.99 H new ATOM 0 HD23 LEU A 46 -9.722 9.029 -15.221 1.00 99.99 H new TER 404 LEU A 46 ATOM 405 N SER B 22 -10.397 0.527 18.948 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 -7.859 1.400 18.451 1.00 99.99 O ATOM 409 CB SER B 22 -11.006 2.529 17.541 1.00 99.99 C ATOM 410 OG SER B 22 -10.757 3.498 18.558 1.00 99.99 O ATOM 0 HA SER B 22 -10.372 0.575 16.861 1.00 99.99 H new ATOM 0 HB2 SER B 22 -10.833 2.983 16.565 1.00 99.99 H new ATOM 0 HB3 SER B 22 -12.056 2.238 17.575 1.00 99.99 H new ATOM 0 HG SER B 22 -11.341 4.273 18.421 1.00 99.99 H new ATOM 415 N SER B 23 -8.284 2.124 16.342 1.00 99.99 N ATOM 416 CA SER B 23 -6.954 2.609 16.057 1.00 99.99 C ATOM 417 C SER B 23 -7.130 4.036 15.603 1.00 99.99 C ATOM 418 O SER B 23 -8.187 4.631 15.812 1.00 99.99 O ATOM 419 CB SER B 23 -6.229 1.766 14.979 1.00 99.99 C ATOM 420 OG SER B 23 -6.046 0.433 15.438 1.00 99.99 O ATOM 0 H SER B 23 -8.926 2.219 15.555 1.00 99.99 H new ATOM 0 HA SER B 23 -6.323 2.536 16.943 1.00 99.99 H new ATOM 0 HB2 SER B 23 -6.810 1.764 14.057 1.00 99.99 H new ATOM 0 HB3 SER B 23 -5.263 2.214 14.746 1.00 99.99 H new ATOM 0 HG SER B 23 -5.588 -0.091 14.748 1.00 99.99 H new ATOM 426 N ASP B 24 -6.075 4.634 14.992 1.00 99.99 N ATOM 427 CA ASP B 24 -6.040 6.040 14.631 1.00 99.99 C ATOM 428 C ASP B 24 -6.645 6.200 13.253 1.00 99.99 C ATOM 429 O ASP B 24 -6.566 5.255 12.475 1.00 99.99 O ATOM 430 CB ASP B 24 -4.590 6.599 14.597 1.00 99.99 C ATOM 431 CG ASP B 24 -3.924 6.525 15.975 1.00 99.99 C ATOM 432 OD1 ASP B 24 -4.649 6.439 17.003 1.00 99.99 O ATOM 433 OD2 ASP B 24 -2.665 6.564 16.013 1.00 99.99 O ATOM 0 H ASP B 24 -5.224 4.131 14.741 1.00 99.99 H new ATOM 0 HA ASP B 24 -6.601 6.594 15.384 1.00 99.99 H new ATOM 0 HB2 ASP B 24 -3.999 6.035 13.876 1.00 99.99 H new ATOM 0 HB3 ASP B 24 -4.606 7.634 14.255 1.00 99.99 H new ATOM 438 N PRO B 25 -7.272 7.319 12.883 1.00 99.99 N ATOM 439 CA PRO B 25 -8.156 7.379 11.728 1.00 99.99 C ATOM 440 C PRO B 25 -7.408 7.382 10.414 1.00 99.99 C ATOM 441 O PRO B 25 -8.008 6.974 9.431 1.00 99.99 O ATOM 442 CB PRO B 25 -8.946 8.685 11.911 1.00 99.99 C ATOM 443 CG PRO B 25 -8.055 9.545 12.810 1.00 99.99 C ATOM 444 CD PRO B 25 -7.406 8.507 13.722 1.00 99.99 C ATOM 0 HA PRO B 25 -8.796 6.498 11.681 1.00 99.99 H new ATOM 0 HB2 PRO B 25 -9.135 9.173 10.955 1.00 99.99 H new ATOM 0 HB3 PRO B 25 -9.916 8.501 12.372 1.00 99.99 H new ATOM 0 HG2 PRO B 25 -7.314 10.100 12.235 1.00 99.99 H new ATOM 0 HG3 PRO B 25 -8.633 10.276 13.375 1.00 99.99 H new ATOM 0 HD2 PRO B 25 -6.437 8.848 14.085 1.00 99.99 H new ATOM 0 HD3 PRO B 25 -8.023 8.307 14.598 1.00 99.99 H new ATOM 452 N LEU B 26 -6.136 7.840 10.377 1.00 99.99 N ATOM 453 CA LEU B 26 -5.213 7.814 9.250 1.00 99.99 C ATOM 454 C LEU B 26 -4.766 6.382 8.996 1.00 99.99 C ATOM 455 O LEU B 26 -4.706 5.980 7.862 1.00 99.99 O ATOM 456 CB LEU B 26 -3.936 8.627 9.503 1.00 99.99 C ATOM 457 CG LEU B 26 -2.810 8.477 8.455 1.00 99.99 C ATOM 458 CD1 LEU B 26 -3.215 8.995 7.073 1.00 99.99 C ATOM 459 CD2 LEU B 26 -1.534 9.176 8.943 1.00 99.99 C ATOM 0 H LEU B 26 -5.710 8.266 11.200 1.00 99.99 H new ATOM 0 HA LEU B 26 -5.752 8.245 8.406 1.00 99.99 H new ATOM 0 HB2 LEU B 26 -4.208 9.681 9.565 1.00 99.99 H new ATOM 0 HB3 LEU B 26 -3.537 8.343 10.477 1.00 99.99 H new ATOM 0 HG LEU B 26 -2.616 7.410 8.344 1.00 99.99 H new ATOM 0 HD11 LEU B 26 -2.386 8.864 6.378 1.00 99.99 H new ATOM 0 HD12 LEU B 26 -4.080 8.437 6.715 1.00 99.99 H new ATOM 0 HD13 LEU B 26 -3.468 10.053 7.141 1.00 99.99 H new ATOM 0 HD21 LEU B 26 -0.749 9.063 8.196 1.00 99.99 H new ATOM 0 HD22 LEU B 26 -1.737 10.236 9.099 1.00 99.99 H new ATOM 0 HD23 LEU B 26 -1.209 8.727 9.881 1.00 99.99 H new ATOM 471 N VAL B 27 -4.475 5.695 10.014 1.00 99.99 N ATOM 472 CA VAL B 27 -4.009 4.316 9.916 1.00 99.99 C ATOM 473 C VAL B 27 -5.133 3.440 9.384 1.00 99.99 C ATOM 474 O VAL B 27 -4.892 2.644 8.512 1.00 99.99 O ATOM 475 CB VAL B 27 -3.605 3.725 11.274 1.00 99.99 C ATOM 476 CG1 VAL B 27 -3.237 2.235 11.133 1.00 99.99 C ATOM 477 CG2 VAL B 27 -2.393 4.501 11.835 1.00 99.99 C ATOM 0 H VAL B 27 -4.542 6.045 10.970 1.00 99.99 H new ATOM 0 HA VAL B 27 -3.140 4.333 9.258 1.00 99.99 H new ATOM 0 HB VAL B 27 -4.451 3.813 11.956 1.00 99.99 H new ATOM 0 HG11 VAL B 27 -2.954 1.836 12.107 1.00 99.99 H new ATOM 0 HG12 VAL B 27 -4.095 1.683 10.751 1.00 99.99 H new ATOM 0 HG13 VAL B 27 -2.401 2.131 10.441 1.00 99.99 H new ATOM 0 HG21 VAL B 27 -2.107 4.081 12.799 1.00 99.99 H new ATOM 0 HG22 VAL B 27 -1.556 4.420 11.141 1.00 99.99 H new ATOM 0 HG23 VAL B 27 -2.660 5.550 11.961 1.00 99.99 H new ATOM 487 N VAL B 28 -6.271 3.602 9.907 1.00 99.99 N ATOM 488 CA VAL B 28 -7.432 2.813 9.512 1.00 99.99 C ATOM 489 C VAL B 28 -7.834 3.185 8.094 1.00 99.99 C ATOM 490 O VAL B 28 -8.118 2.309 7.316 1.00 99.99 O ATOM 491 CB VAL B 28 -8.659 3.074 10.395 1.00 99.99 C ATOM 492 CG1 VAL B 28 -9.909 2.359 9.841 1.00 99.99 C ATOM 493 CG2 VAL B 28 -8.374 2.605 11.835 1.00 99.99 C ATOM 0 H VAL B 28 -6.464 4.288 10.637 1.00 99.99 H new ATOM 0 HA VAL B 28 -7.139 1.767 9.606 1.00 99.99 H new ATOM 0 HB VAL B 28 -8.859 4.146 10.395 1.00 99.99 H new ATOM 0 HG11 VAL B 28 -10.762 2.563 10.488 1.00 99.99 H new ATOM 0 HG12 VAL B 28 -10.121 2.723 8.836 1.00 99.99 H new ATOM 0 HG13 VAL B 28 -9.728 1.285 9.807 1.00 99.99 H new ATOM 0 HG21 VAL B 28 -9.248 2.792 12.458 1.00 99.99 H new ATOM 0 HG22 VAL B 28 -8.152 1.538 11.833 1.00 99.99 H new ATOM 0 HG23 VAL B 28 -7.520 3.153 12.234 1.00 99.99 H new ATOM 503 N ALA B 29 -7.853 4.415 7.817 1.00 99.99 N ATOM 504 CA ALA B 29 -8.246 4.916 6.503 1.00 99.99 C ATOM 505 C ALA B 29 -7.286 4.376 5.453 1.00 99.99 C ATOM 506 O ALA B 29 -7.731 3.985 4.402 1.00 99.99 O ATOM 507 CB ALA B 29 -8.180 6.445 6.403 1.00 99.99 C ATOM 0 H ALA B 29 -7.598 5.146 8.481 1.00 99.99 H new ATOM 0 HA ALA B 29 -9.274 4.590 6.345 1.00 99.99 H new ATOM 0 HB1 ALA B 29 -8.483 6.758 5.404 1.00 99.99 H new ATOM 0 HB2 ALA B 29 -8.850 6.887 7.140 1.00 99.99 H new ATOM 0 HB3 ALA B 29 -7.160 6.778 6.594 1.00 99.99 H new ATOM 513 N ALA B 30 -6.060 4.378 5.752 1.00 99.99 N ATOM 514 CA ALA B 30 -5.031 3.912 4.830 1.00 99.99 C ATOM 515 C ALA B 30 -5.253 2.439 4.528 1.00 99.99 C ATOM 516 O ALA B 30 -5.019 2.028 3.417 1.00 99.99 O ATOM 517 CB ALA B 30 -3.615 4.025 5.411 1.00 99.99 C ATOM 0 H ALA B 30 -5.699 4.701 6.649 1.00 99.99 H new ATOM 0 HA ALA B 30 -5.108 4.541 3.943 1.00 99.99 H new ATOM 0 HB1 ALA B 30 -2.892 3.664 4.680 1.00 99.99 H new ATOM 0 HB2 ALA B 30 -3.401 5.067 5.648 1.00 99.99 H new ATOM 0 HB3 ALA B 30 -3.545 3.425 6.318 1.00 99.99 H new ATOM 523 N SER B 31 -5.674 1.725 5.477 1.00 99.99 N ATOM 524 CA SER B 31 -5.907 0.292 5.335 1.00 99.99 C ATOM 525 C SER B 31 -6.990 0.061 4.292 1.00 99.99 C ATOM 526 O SER B 31 -6.813 -0.771 3.438 1.00 99.99 O ATOM 527 CB SER B 31 -6.403 -0.365 6.629 1.00 99.99 C ATOM 528 OG SER B 31 -5.397 -0.317 7.640 1.00 99.99 O ATOM 0 H SER B 31 -5.882 2.089 6.407 1.00 99.99 H new ATOM 0 HA SER B 31 -4.950 -0.148 5.056 1.00 99.99 H new ATOM 0 HB2 SER B 31 -7.301 0.144 6.979 1.00 99.99 H new ATOM 0 HB3 SER B 31 -6.679 -1.401 6.433 1.00 99.99 H new ATOM 0 HG SER B 31 -5.244 0.614 7.906 1.00 99.99 H new ATOM 534 N ILE B 32 -8.033 0.765 4.395 1.00 99.99 N ATOM 535 CA ILE B 32 -9.160 0.629 3.480 1.00 99.99 C ATOM 536 C ILE B 32 -8.726 1.032 2.079 1.00 99.99 C ATOM 537 O ILE B 32 -9.151 0.420 1.135 1.00 99.99 O ATOM 538 CB ILE B 32 -10.339 1.540 3.848 1.00 99.99 C ATOM 539 CG1 ILE B 32 -10.943 1.109 5.203 1.00 99.99 C ATOM 540 CG2 ILE B 32 -11.425 1.505 2.751 1.00 99.99 C ATOM 541 CD1 ILE B 32 -11.878 2.166 5.807 1.00 99.99 C ATOM 0 H ILE B 32 -8.166 1.474 5.116 1.00 99.99 H new ATOM 0 HA ILE B 32 -9.477 -0.412 3.539 1.00 99.99 H new ATOM 0 HB ILE B 32 -9.967 2.561 3.931 1.00 99.99 H new ATOM 0 HG12 ILE B 32 -11.494 0.178 5.069 1.00 99.99 H new ATOM 0 HG13 ILE B 32 -10.135 0.903 5.905 1.00 99.99 H new ATOM 0 HG21 ILE B 32 -12.250 2.158 3.035 1.00 99.99 H new ATOM 0 HG22 ILE B 32 -11.000 1.846 1.807 1.00 99.99 H new ATOM 0 HG23 ILE B 32 -11.793 0.485 2.636 1.00 99.99 H new ATOM 0 HD11 ILE B 32 -12.270 1.804 6.758 1.00 99.99 H new ATOM 0 HD12 ILE B 32 -11.324 3.090 5.971 1.00 99.99 H new ATOM 0 HD13 ILE B 32 -12.704 2.355 5.122 1.00 99.99 H new ATOM 553 N ILE B 33 -7.933 2.010 1.996 1.00 99.99 N ATOM 554 CA ILE B 33 -7.455 2.523 0.717 1.00 99.99 C ATOM 555 C ILE B 33 -6.682 1.429 -0.007 1.00 99.99 C ATOM 556 O ILE B 33 -6.907 1.227 -1.172 1.00 99.99 O ATOM 557 CB ILE B 33 -6.488 3.705 0.869 1.00 99.99 C ATOM 558 CG1 ILE B 33 -7.318 4.999 1.059 1.00 99.99 C ATOM 559 CG2 ILE B 33 -5.536 3.835 -0.334 1.00 99.99 C ATOM 560 CD1 ILE B 33 -6.525 6.196 1.594 1.00 99.99 C ATOM 0 H ILE B 33 -7.569 2.511 2.807 1.00 99.99 H new ATOM 0 HA ILE B 33 -8.339 2.851 0.171 1.00 99.99 H new ATOM 0 HB ILE B 33 -5.858 3.533 1.741 1.00 99.99 H new ATOM 0 HG12 ILE B 33 -7.762 5.273 0.102 1.00 99.99 H new ATOM 0 HG13 ILE B 33 -8.140 4.790 1.744 1.00 99.99 H new ATOM 0 HG21 ILE B 33 -4.871 4.685 -0.181 1.00 99.99 H new ATOM 0 HG22 ILE B 33 -4.945 2.924 -0.430 1.00 99.99 H new ATOM 0 HG23 ILE B 33 -6.117 3.988 -1.243 1.00 99.99 H new ATOM 0 HD11 ILE B 33 -7.188 7.056 1.695 1.00 99.99 H new ATOM 0 HD12 ILE B 33 -6.103 5.947 2.568 1.00 99.99 H new ATOM 0 HD13 ILE B 33 -5.719 6.438 0.901 1.00 99.99 H new ATOM 572 N GLY B 34 -5.835 0.791 0.677 1.00 99.99 N ATOM 573 CA GLY B 34 -5.008 -0.267 0.105 1.00 99.99 C ATOM 574 C GLY B 34 -5.893 -1.430 -0.310 1.00 99.99 C ATOM 575 O GLY B 34 -5.619 -2.046 -1.309 1.00 99.99 O ATOM 0 H GLY B 34 -5.665 0.963 1.668 1.00 99.99 H new ATOM 0 HA2 GLY B 34 -4.458 0.112 -0.757 1.00 99.99 H new ATOM 0 HA3 GLY B 34 -4.269 -0.600 0.834 1.00 99.99 H new ATOM 579 N ILE B 35 -7.166 -1.375 0.050 1.00 99.99 N ATOM 580 CA ILE B 35 -8.045 -2.418 -0.470 1.00 99.99 C ATOM 581 C ILE B 35 -8.757 -1.905 -1.712 1.00 99.99 C ATOM 582 O ILE B 35 -8.789 -2.600 -2.696 1.00 99.99 O ATOM 583 CB ILE B 35 -9.142 -2.823 0.522 1.00 99.99 C ATOM 584 CG1 ILE B 35 -8.513 -3.352 1.836 1.00 99.99 C ATOM 585 CG2 ILE B 35 -10.050 -3.899 -0.112 1.00 99.99 C ATOM 586 CD1 ILE B 35 -9.490 -3.491 3.007 1.00 99.99 C ATOM 0 H ILE B 35 -7.594 -0.675 0.656 1.00 99.99 H new ATOM 0 HA ILE B 35 -7.409 -3.280 -0.674 1.00 99.99 H new ATOM 0 HB ILE B 35 -9.745 -1.947 0.759 1.00 99.99 H new ATOM 0 HG12 ILE B 35 -8.062 -4.325 1.640 1.00 99.99 H new ATOM 0 HG13 ILE B 35 -7.707 -2.681 2.132 1.00 99.99 H new ATOM 0 HG21 ILE B 35 -10.827 -4.183 0.597 1.00 99.99 H new ATOM 0 HG22 ILE B 35 -10.511 -3.500 -1.015 1.00 99.99 H new ATOM 0 HG23 ILE B 35 -9.453 -4.775 -0.366 1.00 99.99 H new ATOM 0 HD11 ILE B 35 -8.959 -3.867 3.881 1.00 99.99 H new ATOM 0 HD12 ILE B 35 -9.923 -2.518 3.237 1.00 99.99 H new ATOM 0 HD13 ILE B 35 -10.284 -4.187 2.738 1.00 99.99 H new ATOM 598 N LEU B 36 -9.280 -0.761 -1.630 1.00 99.99 N ATOM 599 CA LEU B 36 -10.018 -0.158 -2.736 1.00 99.99 C ATOM 600 C LEU B 36 -9.100 -0.035 -3.942 1.00 99.99 C ATOM 601 O LEU B 36 -9.525 -0.319 -5.033 1.00 99.99 O ATOM 602 CB LEU B 36 -10.512 1.259 -2.421 1.00 99.99 C ATOM 603 CG LEU B 36 -11.185 2.003 -3.594 1.00 99.99 C ATOM 604 CD1 LEU B 36 -12.463 1.284 -4.047 1.00 99.99 C ATOM 605 CD2 LEU B 36 -11.481 3.462 -3.223 1.00 99.99 C ATOM 0 H LEU B 36 -9.229 -0.176 -0.796 1.00 99.99 H new ATOM 0 HA LEU B 36 -10.876 -0.804 -2.921 1.00 99.99 H new ATOM 0 HB2 LEU B 36 -11.221 1.203 -1.595 1.00 99.99 H new ATOM 0 HB3 LEU B 36 -9.665 1.852 -2.075 1.00 99.99 H new ATOM 0 HG LEU B 36 -10.487 2.002 -4.431 1.00 99.99 H new ATOM 0 HD11 LEU B 36 -12.915 1.831 -4.874 1.00 99.99 H new ATOM 0 HD12 LEU B 36 -12.216 0.273 -4.372 1.00 99.99 H new ATOM 0 HD13 LEU B 36 -13.167 1.236 -3.216 1.00 99.99 H new ATOM 0 HD21 LEU B 36 -11.955 3.963 -4.067 1.00 99.99 H new ATOM 0 HD22 LEU B 36 -12.149 3.490 -2.362 1.00 99.99 H new ATOM 0 HD23 LEU B 36 -10.549 3.971 -2.976 1.00 99.99 H new ATOM 617 N HIS B 37 -7.838 0.413 -3.750 1.00 99.99 N ATOM 618 CA HIS B 37 -6.873 0.633 -4.800 1.00 99.99 C ATOM 619 C HIS B 37 -6.543 -0.668 -5.482 1.00 99.99 C ATOM 620 O HIS B 37 -6.202 -0.690 -6.662 1.00 99.99 O ATOM 621 CB HIS B 37 -5.567 1.256 -4.250 1.00 99.99 C ATOM 622 CG HIS B 37 -4.592 1.689 -5.314 1.00 99.99 C ATOM 623 ND1 HIS B 37 -3.277 1.954 -5.042 1.00 99.99 N ATOM 624 CD2 HIS B 37 -4.785 1.945 -6.630 1.00 99.99 C ATOM 625 CE1 HIS B 37 -2.689 2.348 -6.163 1.00 99.99 C ATOM 626 NE2 HIS B 37 -3.583 2.351 -7.142 1.00 99.99 N ATOM 0 H HIS B 37 -7.473 0.632 -2.823 1.00 99.99 H new ATOM 0 HA HIS B 37 -7.319 1.327 -5.512 1.00 99.99 H new ATOM 0 HB2 HIS B 37 -5.821 2.118 -3.633 1.00 99.99 H new ATOM 0 HB3 HIS B 37 -5.078 0.531 -3.599 1.00 99.99 H new ATOM 0 HD2 HIS B 37 -5.713 1.847 -7.173 1.00 99.99 H new ATOM 0 HE1 HIS B 37 -1.649 2.622 -6.263 1.00 99.99 H new ATOM 0 HE2 HIS B 37 -3.405 2.612 -8.112 1.00 99.99 H new ATOM 634 N LEU B 38 -6.683 -1.794 -4.740 1.00 99.99 N ATOM 635 CA LEU B 38 -6.424 -3.130 -5.263 1.00 99.99 C ATOM 636 C LEU B 38 -7.533 -3.516 -6.230 1.00 99.99 C ATOM 637 O LEU B 38 -7.245 -4.049 -7.271 1.00 99.99 O ATOM 638 CB LEU B 38 -6.407 -4.208 -4.171 1.00 99.99 C ATOM 639 CG LEU B 38 -6.158 -5.635 -4.717 1.00 99.99 C ATOM 640 CD1 LEU B 38 -4.818 -5.735 -5.457 1.00 99.99 C ATOM 641 CD2 LEU B 38 -6.241 -6.695 -3.618 1.00 99.99 C ATOM 0 H LEU B 38 -6.979 -1.786 -3.764 1.00 99.99 H new ATOM 0 HA LEU B 38 -5.444 -3.086 -5.739 1.00 99.99 H new ATOM 0 HB2 LEU B 38 -5.632 -3.965 -3.444 1.00 99.99 H new ATOM 0 HB3 LEU B 38 -7.359 -4.191 -3.640 1.00 99.99 H new ATOM 0 HG LEU B 38 -6.957 -5.833 -5.432 1.00 99.99 H new ATOM 0 HD11 LEU B 38 -4.680 -6.752 -5.825 1.00 99.99 H new ATOM 0 HD12 LEU B 38 -4.814 -5.041 -6.298 1.00 99.99 H new ATOM 0 HD13 LEU B 38 -4.006 -5.483 -4.775 1.00 99.99 H new ATOM 0 HD21 LEU B 38 -6.060 -7.680 -4.048 1.00 99.99 H new ATOM 0 HD22 LEU B 38 -5.490 -6.488 -2.856 1.00 99.99 H new ATOM 0 HD23 LEU B 38 -7.233 -6.673 -3.166 1.00 99.99 H new ATOM 653 N ILE B 39 -8.711 -3.251 -5.870 1.00 99.99 N ATOM 654 CA ILE B 39 -9.873 -3.590 -6.685 1.00 99.99 C ATOM 655 C ILE B 39 -9.841 -2.771 -7.967 1.00 99.99 C ATOM 656 O ILE B 39 -10.109 -3.309 -9.013 1.00 99.99 O ATOM 657 CB ILE B 39 -11.205 -3.262 -5.995 1.00 99.99 C ATOM 658 CG1 ILE B 39 -11.404 -4.186 -4.773 1.00 99.99 C ATOM 659 CG2 ILE B 39 -12.375 -3.420 -6.989 1.00 99.99 C ATOM 660 CD1 ILE B 39 -12.617 -3.817 -3.909 1.00 99.99 C ATOM 0 H ILE B 39 -8.941 -2.785 -4.992 1.00 99.99 H new ATOM 0 HA ILE B 39 -9.818 -4.664 -6.865 1.00 99.99 H new ATOM 0 HB ILE B 39 -11.183 -2.227 -5.653 1.00 99.99 H new ATOM 0 HG12 ILE B 39 -11.516 -5.213 -5.120 1.00 99.99 H new ATOM 0 HG13 ILE B 39 -10.506 -4.154 -4.155 1.00 99.99 H new ATOM 0 HG21 ILE B 39 -13.313 -3.184 -6.487 1.00 99.99 H new ATOM 0 HG22 ILE B 39 -12.233 -2.741 -7.829 1.00 99.99 H new ATOM 0 HG23 ILE B 39 -12.406 -4.447 -7.354 1.00 99.99 H new ATOM 0 HD11 ILE B 39 -12.691 -4.510 -3.071 1.00 99.99 H new ATOM 0 HD12 ILE B 39 -12.499 -2.802 -3.531 1.00 99.99 H new ATOM 0 HD13 ILE B 39 -13.524 -3.877 -4.511 1.00 99.99 H new ATOM 672 N LEU B 40 -9.540 -1.553 -7.852 1.00 99.99 N ATOM 673 CA LEU B 40 -9.497 -0.647 -8.993 1.00 99.99 C ATOM 674 C LEU B 40 -8.453 -1.135 -9.986 1.00 99.99 C ATOM 675 O LEU B 40 -8.723 -1.147 -11.161 1.00 99.99 O ATOM 676 CB LEU B 40 -9.091 0.782 -8.608 1.00 99.99 C ATOM 677 CG LEU B 40 -10.142 1.579 -7.804 1.00 99.99 C ATOM 678 CD1 LEU B 40 -9.553 2.943 -7.392 1.00 99.99 C ATOM 679 CD2 LEU B 40 -11.444 1.786 -8.589 1.00 99.99 C ATOM 0 H LEU B 40 -9.306 -1.112 -6.963 1.00 99.99 H new ATOM 0 HA LEU B 40 -10.504 -0.635 -9.409 1.00 99.99 H new ATOM 0 HB2 LEU B 40 -8.172 0.735 -8.024 1.00 99.99 H new ATOM 0 HB3 LEU B 40 -8.862 1.334 -9.520 1.00 99.99 H new ATOM 0 HG LEU B 40 -10.390 0.995 -6.917 1.00 99.99 H new ATOM 0 HD11 LEU B 40 -10.296 3.504 -6.825 1.00 99.99 H new ATOM 0 HD12 LEU B 40 -8.668 2.786 -6.775 1.00 99.99 H new ATOM 0 HD13 LEU B 40 -9.278 3.505 -8.284 1.00 99.99 H new ATOM 0 HD21 LEU B 40 -12.150 2.351 -7.980 1.00 99.99 H new ATOM 0 HD22 LEU B 40 -11.233 2.337 -9.505 1.00 99.99 H new ATOM 0 HD23 LEU B 40 -11.876 0.817 -8.840 1.00 99.99 H new ATOM 691 N TRP B 41 -7.345 -1.503 -9.507 1.00 99.99 N ATOM 692 CA TRP B 41 -6.247 -1.968 -10.344 1.00 99.99 C ATOM 693 C TRP B 41 -6.633 -3.291 -10.988 1.00 99.99 C ATOM 694 O TRP B 41 -6.369 -3.477 -12.150 1.00 99.99 O ATOM 695 CB TRP B 41 -4.960 -2.230 -9.550 1.00 99.99 C ATOM 696 CG TRP B 41 -3.770 -2.614 -10.412 1.00 99.99 C ATOM 697 CD1 TRP B 41 -2.994 -1.780 -11.157 1.00 99.99 C ATOM 698 CD2 TRP B 41 -3.316 -3.951 -10.682 1.00 99.99 C ATOM 699 NE1 TRP B 41 -2.030 -2.493 -11.813 1.00 99.99 N ATOM 700 CE2 TRP B 41 -2.232 -3.830 -11.571 1.00 99.99 C ATOM 701 CE3 TRP B 41 -3.752 -5.198 -10.221 1.00 99.99 C ATOM 702 CZ2 TRP B 41 -1.546 -4.953 -12.008 1.00 99.99 C ATOM 703 CZ3 TRP B 41 -3.065 -6.325 -10.676 1.00 99.99 C ATOM 704 CH2 TRP B 41 -1.975 -6.213 -11.557 1.00 99.99 C ATOM 0 H TRP B 41 -7.135 -1.503 -8.509 1.00 99.99 H new ATOM 0 HA TRP B 41 -6.063 -1.180 -11.074 1.00 99.99 H new ATOM 0 HB2 TRP B 41 -4.709 -1.336 -8.979 1.00 99.99 H new ATOM 0 HB3 TRP B 41 -5.146 -3.026 -8.829 1.00 99.99 H new ATOM 0 HD1 TRP B 41 -3.122 -0.709 -11.221 1.00 99.99 H new ATOM 0 HE1 TRP B 41 -1.285 -2.098 -12.387 1.00 99.99 H new ATOM 0 HE3 TRP B 41 -4.586 -5.285 -9.541 1.00 99.99 H new ATOM 0 HZ2 TRP B 41 -0.704 -4.862 -12.678 1.00 99.99 H new ATOM 0 HZ3 TRP B 41 -3.378 -7.304 -10.344 1.00 99.99 H new ATOM 0 HH2 TRP B 41 -1.463 -7.103 -11.890 1.00 99.99 H new ATOM 715 N ILE B 42 -7.209 -4.133 -10.244 1.00 99.99 N ATOM 716 CA ILE B 42 -7.610 -5.452 -10.723 1.00 99.99 C ATOM 717 C ILE B 42 -8.703 -5.295 -11.770 1.00 99.99 C ATOM 718 O ILE B 42 -8.661 -5.974 -12.766 1.00 99.99 O ATOM 719 CB ILE B 42 -8.197 -6.335 -9.616 1.00 99.99 C ATOM 720 CG1 ILE B 42 -7.081 -6.778 -8.641 1.00 99.99 C ATOM 721 CG2 ILE B 42 -8.904 -7.571 -10.214 1.00 99.99 C ATOM 722 CD1 ILE B 42 -7.596 -7.590 -7.443 1.00 99.99 C ATOM 0 H ILE B 42 -7.435 -3.959 -9.265 1.00 99.99 H new ATOM 0 HA ILE B 42 -6.709 -5.922 -11.118 1.00 99.99 H new ATOM 0 HB ILE B 42 -8.937 -5.751 -9.068 1.00 99.99 H new ATOM 0 HG12 ILE B 42 -6.350 -7.375 -9.186 1.00 99.99 H new ATOM 0 HG13 ILE B 42 -6.560 -5.894 -8.273 1.00 99.99 H new ATOM 0 HG21 ILE B 42 -9.312 -8.182 -9.409 1.00 99.99 H new ATOM 0 HG22 ILE B 42 -9.713 -7.246 -10.869 1.00 99.99 H new ATOM 0 HG23 ILE B 42 -8.187 -8.159 -10.787 1.00 99.99 H new ATOM 0 HD11 ILE B 42 -6.758 -7.866 -6.803 1.00 99.99 H new ATOM 0 HD12 ILE B 42 -8.305 -6.989 -6.874 1.00 99.99 H new ATOM 0 HD13 ILE B 42 -8.091 -8.492 -7.801 1.00 99.99 H new ATOM 734 N LEU B 43 -9.608 -4.452 -11.521 1.00 99.99 N ATOM 735 CA LEU B 43 -10.728 -4.221 -12.425 1.00 99.99 C ATOM 736 C LEU B 43 -10.210 -3.630 -13.729 1.00 99.99 C ATOM 737 O LEU B 43 -10.756 -3.922 -14.762 1.00 99.99 O ATOM 738 CB LEU B 43 -11.745 -3.216 -11.869 1.00 99.99 C ATOM 739 CG LEU B 43 -12.558 -3.733 -10.659 1.00 99.99 C ATOM 740 CD1 LEU B 43 -13.344 -2.578 -10.012 1.00 99.99 C ATOM 741 CD2 LEU B 43 -13.517 -4.867 -11.052 1.00 99.99 C ATOM 0 H LEU B 43 -9.626 -3.875 -10.680 1.00 99.99 H new ATOM 0 HA LEU B 43 -11.214 -5.187 -12.563 1.00 99.99 H new ATOM 0 HB2 LEU B 43 -11.218 -2.308 -11.576 1.00 99.99 H new ATOM 0 HB3 LEU B 43 -12.437 -2.940 -12.665 1.00 99.99 H new ATOM 0 HG LEU B 43 -11.847 -4.137 -9.938 1.00 99.99 H new ATOM 0 HD11 LEU B 43 -13.912 -2.956 -9.162 1.00 99.99 H new ATOM 0 HD12 LEU B 43 -12.649 -1.810 -9.672 1.00 99.99 H new ATOM 0 HD13 LEU B 43 -14.029 -2.149 -10.744 1.00 99.99 H new ATOM 0 HD21 LEU B 43 -14.067 -5.199 -10.172 1.00 99.99 H new ATOM 0 HD22 LEU B 43 -14.219 -4.506 -11.804 1.00 99.99 H new ATOM 0 HD23 LEU B 43 -12.946 -5.701 -11.460 1.00 99.99 H new ATOM 753 N ASP B 44 -9.226 -2.845 -13.641 1.00 99.99 N ATOM 754 CA ASP B 44 -8.646 -2.188 -14.804 1.00 99.99 C ATOM 755 C ASP B 44 -7.978 -3.231 -15.691 1.00 99.99 C ATOM 756 O ASP B 44 -8.098 -3.146 -16.887 1.00 99.99 O ATOM 757 CB ASP B 44 -7.555 -1.172 -14.436 1.00 99.99 C ATOM 758 CG ASP B 44 -7.012 -0.420 -15.667 1.00 99.99 C ATOM 759 OD1 ASP B 44 -7.783 0.360 -16.276 1.00 99.99 O ATOM 760 OD2 ASP B 44 -5.798 -0.570 -15.997 1.00 99.99 O ATOM 0 H ASP B 44 -8.767 -2.613 -12.760 1.00 99.99 H new ATOM 0 HA ASP B 44 -9.466 -1.670 -15.302 1.00 99.99 H new ATOM 0 HB2 ASP B 44 -7.958 -0.453 -13.723 1.00 99.99 H new ATOM 0 HB3 ASP B 44 -6.734 -1.689 -13.938 1.00 99.99 H new ATOM 765 N ARG B 45 -7.322 -4.134 -15.104 1.00 99.99 N ATOM 766 CA ARG B 45 -6.613 -5.182 -15.830 1.00 99.99 C ATOM 767 C ARG B 45 -7.615 -6.039 -16.588 1.00 99.99 C ATOM 768 O ARG B 45 -7.370 -6.360 -17.723 1.00 99.99 O ATOM 769 CB ARG B 45 -5.844 -6.134 -14.904 1.00 99.99 C ATOM 770 CG ARG B 45 -4.689 -5.457 -14.138 1.00 99.99 C ATOM 771 CD ARG B 45 -3.459 -5.186 -15.015 1.00 99.99 C ATOM 772 NE ARG B 45 -3.560 -3.787 -15.564 1.00 99.99 N ATOM 773 CZ ARG B 45 -2.890 -3.422 -16.674 1.00 99.99 C ATOM 774 NH1 ARG B 45 -2.086 -4.281 -17.325 1.00 99.99 N ATOM 775 NH2 ARG B 45 -3.017 -2.157 -17.108 1.00 99.99 N ATOM 0 H ARG B 45 -7.237 -4.201 -14.090 1.00 99.99 H new ATOM 0 HA ARG B 45 -5.909 -4.673 -16.489 1.00 99.99 H new ATOM 0 HB2 ARG B 45 -6.539 -6.568 -14.185 1.00 99.99 H new ATOM 0 HB3 ARG B 45 -5.443 -6.957 -15.496 1.00 99.99 H new ATOM 0 HG2 ARG B 45 -5.043 -4.515 -13.718 1.00 99.99 H new ATOM 0 HG3 ARG B 45 -4.397 -6.090 -13.300 1.00 99.99 H new ATOM 0 HD2 ARG B 45 -2.546 -5.298 -14.431 1.00 99.99 H new ATOM 0 HD3 ARG B 45 -3.408 -5.909 -15.829 1.00 99.99 H new ATOM 0 HE ARG B 45 -4.147 -3.103 -15.086 1.00 99.99 H new ATOM 0 HH11 ARG B 45 -1.972 -5.234 -16.980 1.00 99.99 H new ATOM 0 HH12 ARG B 45 -1.590 -3.979 -18.164 1.00 99.99 H new ATOM 0 HH21 ARG B 45 -3.609 -1.500 -16.600 1.00 99.99 H new ATOM 0 HH22 ARG B 45 -2.521 -1.853 -17.946 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 -10.357 -6.455 -17.701 1.00 99.99 C ATOM 792 O LEU B 46 -11.040 -5.455 -17.487 1.00 99.99 O ATOM 793 CB LEU B 46 -10.811 -7.573 -15.573 1.00 99.99 C ATOM 794 CG LEU B 46 -10.407 -8.346 -14.293 1.00 99.99 C ATOM 795 CD1 LEU B 46 -11.622 -8.388 -13.347 1.00 99.99 C ATOM 796 CD2 LEU B 46 -9.906 -9.767 -14.575 1.00 99.99 C ATOM 0 H LEU B 46 -8.860 -6.080 -15.006 1.00 99.99 H new ATOM 0 HA LEU B 46 -9.194 -8.121 -16.887 1.00 99.99 H new ATOM 0 HB2 LEU B 46 -11.305 -6.650 -15.268 1.00 99.99 H new ATOM 0 HB3 LEU B 46 -11.551 -8.169 -16.107 1.00 99.99 H new ATOM 0 HG LEU B 46 -9.570 -7.819 -13.834 1.00 99.99 H new ATOM 0 HD11 LEU B 46 -11.357 -8.929 -12.439 1.00 99.99 H new ATOM 0 HD12 LEU B 46 -11.919 -7.371 -13.090 1.00 99.99 H new ATOM 0 HD13 LEU B 46 -12.451 -8.894 -13.842 1.00 99.99 H new ATOM 0 HD21 LEU B 46 -9.640 -10.252 -13.636 1.00 99.99 H new ATOM 0 HD22 LEU B 46 -10.692 -10.339 -15.069 1.00 99.99 H new ATOM 0 HD23 LEU B 46 -9.029 -9.722 -15.221 1.00 99.99 H new TER 808 LEU B 46 ATOM 809 N SER C 22 -0.527 -10.397 18.948 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 -1.400 -7.859 18.451 1.00 99.99 O ATOM 813 CB SER C 22 -2.529 -11.006 17.541 1.00 99.99 C ATOM 814 OG SER C 22 -3.498 -10.757 18.558 1.00 99.99 O ATOM 0 HA SER C 22 -0.575 -10.372 16.861 1.00 99.99 H new ATOM 0 HB2 SER C 22 -2.983 -10.833 16.565 1.00 99.99 H new ATOM 0 HB3 SER C 22 -2.238 -12.056 17.575 1.00 99.99 H new ATOM 0 HG SER C 22 -4.273 -11.341 18.421 1.00 99.99 H new ATOM 819 N SER C 23 -2.124 -8.284 16.342 1.00 99.99 N ATOM 820 CA SER C 23 -2.609 -6.954 16.057 1.00 99.99 C ATOM 821 C SER C 23 -4.036 -7.130 15.603 1.00 99.99 C ATOM 822 O SER C 23 -4.631 -8.187 15.812 1.00 99.99 O ATOM 823 CB SER C 23 -1.766 -6.229 14.979 1.00 99.99 C ATOM 824 OG SER C 23 -0.433 -6.046 15.438 1.00 99.99 O ATOM 0 H SER C 23 -2.219 -8.926 15.555 1.00 99.99 H new ATOM 0 HA SER C 23 -2.536 -6.323 16.943 1.00 99.99 H new ATOM 0 HB2 SER C 23 -1.764 -6.810 14.057 1.00 99.99 H new ATOM 0 HB3 SER C 23 -2.214 -5.263 14.746 1.00 99.99 H new ATOM 0 HG SER C 23 0.091 -5.588 14.748 1.00 99.99 H new ATOM 830 N ASP C 24 -4.634 -6.075 14.992 1.00 99.99 N ATOM 831 CA ASP C 24 -6.040 -6.040 14.631 1.00 99.99 C ATOM 832 C ASP C 24 -6.200 -6.645 13.253 1.00 99.99 C ATOM 833 O ASP C 24 -5.255 -6.566 12.475 1.00 99.99 O ATOM 834 CB ASP C 24 -6.599 -4.590 14.597 1.00 99.99 C ATOM 835 CG ASP C 24 -6.525 -3.924 15.975 1.00 99.99 C ATOM 836 OD1 ASP C 24 -6.439 -4.649 17.003 1.00 99.99 O ATOM 837 OD2 ASP C 24 -6.564 -2.665 16.013 1.00 99.99 O ATOM 0 H ASP C 24 -4.131 -5.224 14.741 1.00 99.99 H new ATOM 0 HA ASP C 24 -6.594 -6.601 15.384 1.00 99.99 H new ATOM 0 HB2 ASP C 24 -6.035 -3.999 13.876 1.00 99.99 H new ATOM 0 HB3 ASP C 24 -7.634 -4.606 14.255 1.00 99.99 H new ATOM 842 N PRO C 25 -7.319 -7.272 12.883 1.00 99.99 N ATOM 843 CA PRO C 25 -7.379 -8.156 11.728 1.00 99.99 C ATOM 844 C PRO C 25 -7.382 -7.408 10.414 1.00 99.99 C ATOM 845 O PRO C 25 -6.974 -8.008 9.431 1.00 99.99 O ATOM 846 CB PRO C 25 -8.685 -8.946 11.911 1.00 99.99 C ATOM 847 CG PRO C 25 -9.545 -8.055 12.810 1.00 99.99 C ATOM 848 CD PRO C 25 -8.507 -7.406 13.722 1.00 99.99 C ATOM 0 HA PRO C 25 -6.498 -8.796 11.681 1.00 99.99 H new ATOM 0 HB2 PRO C 25 -9.173 -9.135 10.955 1.00 99.99 H new ATOM 0 HB3 PRO C 25 -8.501 -9.916 12.372 1.00 99.99 H new ATOM 0 HG2 PRO C 25 -10.100 -7.314 12.235 1.00 99.99 H new ATOM 0 HG3 PRO C 25 -10.276 -8.633 13.375 1.00 99.99 H new ATOM 0 HD2 PRO C 25 -8.848 -6.437 14.085 1.00 99.99 H new ATOM 0 HD3 PRO C 25 -8.307 -8.023 14.598 1.00 99.99 H new ATOM 856 N LEU C 26 -7.840 -6.136 10.377 1.00 99.99 N ATOM 857 CA LEU C 26 -7.814 -5.213 9.250 1.00 99.99 C ATOM 858 C LEU C 26 -6.382 -4.766 8.996 1.00 99.99 C ATOM 859 O LEU C 26 -5.980 -4.706 7.862 1.00 99.99 O ATOM 860 CB LEU C 26 -8.627 -3.936 9.503 1.00 99.99 C ATOM 861 CG LEU C 26 -8.477 -2.810 8.455 1.00 99.99 C ATOM 862 CD1 LEU C 26 -8.995 -3.215 7.073 1.00 99.99 C ATOM 863 CD2 LEU C 26 -9.176 -1.534 8.943 1.00 99.99 C ATOM 0 H LEU C 26 -8.266 -5.710 11.200 1.00 99.99 H new ATOM 0 HA LEU C 26 -8.245 -5.752 8.406 1.00 99.99 H new ATOM 0 HB2 LEU C 26 -9.681 -4.208 9.565 1.00 99.99 H new ATOM 0 HB3 LEU C 26 -8.343 -3.537 10.477 1.00 99.99 H new ATOM 0 HG LEU C 26 -7.410 -2.616 8.344 1.00 99.99 H new ATOM 0 HD11 LEU C 26 -8.864 -2.386 6.378 1.00 99.99 H new ATOM 0 HD12 LEU C 26 -8.437 -4.080 6.715 1.00 99.99 H new ATOM 0 HD13 LEU C 26 -10.053 -3.468 7.141 1.00 99.99 H new ATOM 0 HD21 LEU C 26 -9.063 -0.749 8.196 1.00 99.99 H new ATOM 0 HD22 LEU C 26 -10.236 -1.737 9.099 1.00 99.99 H new ATOM 0 HD23 LEU C 26 -8.727 -1.209 9.881 1.00 99.99 H new ATOM 875 N VAL C 27 -5.695 -4.475 10.014 1.00 99.99 N ATOM 876 CA VAL C 27 -4.316 -4.009 9.916 1.00 99.99 C ATOM 877 C VAL C 27 -3.440 -5.133 9.384 1.00 99.99 C ATOM 878 O VAL C 27 -2.644 -4.892 8.512 1.00 99.99 O ATOM 879 CB VAL C 27 -3.725 -3.605 11.274 1.00 99.99 C ATOM 880 CG1 VAL C 27 -2.235 -3.237 11.133 1.00 99.99 C ATOM 881 CG2 VAL C 27 -4.501 -2.393 11.835 1.00 99.99 C ATOM 0 H VAL C 27 -6.045 -4.542 10.970 1.00 99.99 H new ATOM 0 HA VAL C 27 -4.333 -3.140 9.258 1.00 99.99 H new ATOM 0 HB VAL C 27 -3.813 -4.451 11.956 1.00 99.99 H new ATOM 0 HG11 VAL C 27 -1.836 -2.954 12.107 1.00 99.99 H new ATOM 0 HG12 VAL C 27 -1.683 -4.095 10.751 1.00 99.99 H new ATOM 0 HG13 VAL C 27 -2.131 -2.401 10.441 1.00 99.99 H new ATOM 0 HG21 VAL C 27 -4.081 -2.107 12.799 1.00 99.99 H new ATOM 0 HG22 VAL C 27 -4.420 -1.556 11.141 1.00 99.99 H new ATOM 0 HG23 VAL C 27 -5.550 -2.660 11.961 1.00 99.99 H new ATOM 891 N VAL C 28 -3.602 -6.271 9.907 1.00 99.99 N ATOM 892 CA VAL C 28 -2.813 -7.432 9.512 1.00 99.99 C ATOM 893 C VAL C 28 -3.185 -7.834 8.094 1.00 99.99 C ATOM 894 O VAL C 28 -2.309 -8.118 7.316 1.00 99.99 O ATOM 895 CB VAL C 28 -3.074 -8.659 10.395 1.00 99.99 C ATOM 896 CG1 VAL C 28 -2.359 -9.909 9.841 1.00 99.99 C ATOM 897 CG2 VAL C 28 -2.605 -8.374 11.835 1.00 99.99 C ATOM 0 H VAL C 28 -4.288 -6.464 10.637 1.00 99.99 H new ATOM 0 HA VAL C 28 -1.767 -7.139 9.606 1.00 99.99 H new ATOM 0 HB VAL C 28 -4.146 -8.859 10.395 1.00 99.99 H new ATOM 0 HG11 VAL C 28 -2.563 -10.762 10.488 1.00 99.99 H new ATOM 0 HG12 VAL C 28 -2.723 -10.121 8.836 1.00 99.99 H new ATOM 0 HG13 VAL C 28 -1.285 -9.728 9.807 1.00 99.99 H new ATOM 0 HG21 VAL C 28 -2.792 -9.248 12.458 1.00 99.99 H new ATOM 0 HG22 VAL C 28 -1.538 -8.152 11.833 1.00 99.99 H new ATOM 0 HG23 VAL C 28 -3.153 -7.520 12.234 1.00 99.99 H new ATOM 907 N ALA C 29 -4.415 -7.853 7.817 1.00 99.99 N ATOM 908 CA ALA C 29 -4.916 -8.246 6.503 1.00 99.99 C ATOM 909 C ALA C 29 -4.376 -7.286 5.453 1.00 99.99 C ATOM 910 O ALA C 29 -3.985 -7.731 4.402 1.00 99.99 O ATOM 911 CB ALA C 29 -6.445 -8.180 6.403 1.00 99.99 C ATOM 0 H ALA C 29 -5.146 -7.598 8.481 1.00 99.99 H new ATOM 0 HA ALA C 29 -4.590 -9.274 6.345 1.00 99.99 H new ATOM 0 HB1 ALA C 29 -6.758 -8.483 5.404 1.00 99.99 H new ATOM 0 HB2 ALA C 29 -6.887 -8.850 7.140 1.00 99.99 H new ATOM 0 HB3 ALA C 29 -6.778 -7.160 6.594 1.00 99.99 H new ATOM 917 N ALA C 30 -4.378 -6.060 5.752 1.00 99.99 N ATOM 918 CA ALA C 30 -3.912 -5.031 4.830 1.00 99.99 C ATOM 919 C ALA C 30 -2.439 -5.253 4.528 1.00 99.99 C ATOM 920 O ALA C 30 -2.028 -5.019 3.417 1.00 99.99 O ATOM 921 CB ALA C 30 -4.025 -3.615 5.411 1.00 99.99 C ATOM 0 H ALA C 30 -4.701 -5.699 6.649 1.00 99.99 H new ATOM 0 HA ALA C 30 -4.541 -5.108 3.943 1.00 99.99 H new ATOM 0 HB1 ALA C 30 -3.664 -2.892 4.680 1.00 99.99 H new ATOM 0 HB2 ALA C 30 -5.067 -3.401 5.648 1.00 99.99 H new ATOM 0 HB3 ALA C 30 -3.425 -3.545 6.318 1.00 99.99 H new ATOM 927 N SER C 31 -1.725 -5.674 5.477 1.00 99.99 N ATOM 928 CA SER C 31 -0.292 -5.907 5.335 1.00 99.99 C ATOM 929 C SER C 31 -0.061 -6.990 4.292 1.00 99.99 C ATOM 930 O SER C 31 0.771 -6.813 3.438 1.00 99.99 O ATOM 931 CB SER C 31 0.365 -6.403 6.629 1.00 99.99 C ATOM 932 OG SER C 31 0.317 -5.397 7.640 1.00 99.99 O ATOM 0 H SER C 31 -2.089 -5.882 6.407 1.00 99.99 H new ATOM 0 HA SER C 31 0.148 -4.950 5.056 1.00 99.99 H new ATOM 0 HB2 SER C 31 -0.144 -7.301 6.979 1.00 99.99 H new ATOM 0 HB3 SER C 31 1.401 -6.679 6.433 1.00 99.99 H new ATOM 0 HG SER C 31 -0.612 -5.256 7.917 1.00 99.99 H new ATOM 938 N ILE C 32 -0.765 -8.033 4.395 1.00 99.99 N ATOM 939 CA ILE C 32 -0.629 -9.160 3.480 1.00 99.99 C ATOM 940 C ILE C 32 -1.032 -8.726 2.079 1.00 99.99 C ATOM 941 O ILE C 32 -0.420 -9.151 1.135 1.00 99.99 O ATOM 942 CB ILE C 32 -1.540 -10.339 3.848 1.00 99.99 C ATOM 943 CG1 ILE C 32 -1.109 -10.943 5.203 1.00 99.99 C ATOM 944 CG2 ILE C 32 -1.505 -11.425 2.751 1.00 99.99 C ATOM 945 CD1 ILE C 32 -2.166 -11.878 5.807 1.00 99.99 C ATOM 0 H ILE C 32 -1.474 -8.166 5.116 1.00 99.99 H new ATOM 0 HA ILE C 32 0.412 -9.477 3.539 1.00 99.99 H new ATOM 0 HB ILE C 32 -2.561 -9.967 3.931 1.00 99.99 H new ATOM 0 HG12 ILE C 32 -0.178 -11.494 5.069 1.00 99.99 H new ATOM 0 HG13 ILE C 32 -0.903 -10.135 5.905 1.00 99.99 H new ATOM 0 HG21 ILE C 32 -2.158 -12.250 3.035 1.00 99.99 H new ATOM 0 HG22 ILE C 32 -1.846 -11.000 1.807 1.00 99.99 H new ATOM 0 HG23 ILE C 32 -0.485 -11.793 2.636 1.00 99.99 H new ATOM 0 HD11 ILE C 32 -1.804 -12.270 6.758 1.00 99.99 H new ATOM 0 HD12 ILE C 32 -3.090 -11.324 5.971 1.00 99.99 H new ATOM 0 HD13 ILE C 32 -2.355 -12.704 5.122 1.00 99.99 H new ATOM 957 N ILE C 33 -2.010 -7.933 1.996 1.00 99.99 N ATOM 958 CA ILE C 33 -2.523 -7.455 0.717 1.00 99.99 C ATOM 959 C ILE C 33 -1.429 -6.682 -0.007 1.00 99.99 C ATOM 960 O ILE C 33 -1.227 -6.907 -1.172 1.00 99.99 O ATOM 961 CB ILE C 33 -3.705 -6.488 0.869 1.00 99.99 C ATOM 962 CG1 ILE C 33 -4.999 -7.318 1.059 1.00 99.99 C ATOM 963 CG2 ILE C 33 -3.835 -5.536 -0.334 1.00 99.99 C ATOM 964 CD1 ILE C 33 -6.196 -6.525 1.594 1.00 99.99 C ATOM 0 H ILE C 33 -2.511 -7.569 2.807 1.00 99.99 H new ATOM 0 HA ILE C 33 -2.851 -8.339 0.171 1.00 99.99 H new ATOM 0 HB ILE C 33 -3.533 -5.858 1.741 1.00 99.99 H new ATOM 0 HG12 ILE C 33 -5.273 -7.762 0.102 1.00 99.99 H new ATOM 0 HG13 ILE C 33 -4.790 -8.140 1.744 1.00 99.99 H new ATOM 0 HG21 ILE C 33 -4.685 -4.871 -0.181 1.00 99.99 H new ATOM 0 HG22 ILE C 33 -2.924 -4.945 -0.430 1.00 99.99 H new ATOM 0 HG23 ILE C 33 -3.988 -6.117 -1.243 1.00 99.99 H new ATOM 0 HD11 ILE C 33 -7.056 -7.188 1.695 1.00 99.99 H new ATOM 0 HD12 ILE C 33 -5.947 -6.103 2.568 1.00 99.99 H new ATOM 0 HD13 ILE C 33 -6.438 -5.719 0.901 1.00 99.99 H new ATOM 976 N GLY C 34 -0.791 -5.835 0.677 1.00 99.99 N ATOM 977 CA GLY C 34 0.267 -5.008 0.105 1.00 99.99 C ATOM 978 C GLY C 34 1.430 -5.893 -0.310 1.00 99.99 C ATOM 979 O GLY C 34 2.046 -5.619 -1.309 1.00 99.99 O ATOM 0 H GLY C 34 -0.963 -5.665 1.668 1.00 99.99 H new ATOM 0 HA2 GLY C 34 -0.112 -4.458 -0.757 1.00 99.99 H new ATOM 0 HA3 GLY C 34 0.600 -4.269 0.834 1.00 99.99 H new ATOM 983 N ILE C 35 1.375 -7.166 0.050 1.00 99.99 N ATOM 984 CA ILE C 35 2.418 -8.045 -0.470 1.00 99.99 C ATOM 985 C ILE C 35 1.905 -8.757 -1.712 1.00 99.99 C ATOM 986 O ILE C 35 2.600 -8.789 -2.696 1.00 99.99 O ATOM 987 CB ILE C 35 2.823 -9.142 0.522 1.00 99.99 C ATOM 988 CG1 ILE C 35 3.352 -8.513 1.836 1.00 99.99 C ATOM 989 CG2 ILE C 35 3.899 -10.050 -0.112 1.00 99.99 C ATOM 990 CD1 ILE C 35 3.491 -9.490 3.007 1.00 99.99 C ATOM 0 H ILE C 35 0.675 -7.594 0.656 1.00 99.99 H new ATOM 0 HA ILE C 35 3.280 -7.409 -0.674 1.00 99.99 H new ATOM 0 HB ILE C 35 1.947 -9.745 0.759 1.00 99.99 H new ATOM 0 HG12 ILE C 35 4.325 -8.062 1.640 1.00 99.99 H new ATOM 0 HG13 ILE C 35 2.681 -7.707 2.132 1.00 99.99 H new ATOM 0 HG21 ILE C 35 4.183 -10.827 0.597 1.00 99.99 H new ATOM 0 HG22 ILE C 35 3.500 -10.511 -1.015 1.00 99.99 H new ATOM 0 HG23 ILE C 35 4.775 -9.453 -0.366 1.00 99.99 H new ATOM 0 HD11 ILE C 35 3.867 -8.959 3.881 1.00 99.99 H new ATOM 0 HD12 ILE C 35 2.518 -9.923 3.237 1.00 99.99 H new ATOM 0 HD13 ILE C 35 4.187 -10.284 2.738 1.00 99.99 H new ATOM 1002 N LEU C 36 0.761 -9.280 -1.630 1.00 99.99 N ATOM 1003 CA LEU C 36 0.158 -10.018 -2.736 1.00 99.99 C ATOM 1004 C LEU C 36 0.035 -9.100 -3.942 1.00 99.99 C ATOM 1005 O LEU C 36 0.319 -9.525 -5.033 1.00 99.99 O ATOM 1006 CB LEU C 36 -1.259 -10.512 -2.421 1.00 99.99 C ATOM 1007 CG LEU C 36 -2.003 -11.185 -3.594 1.00 99.99 C ATOM 1008 CD1 LEU C 36 -1.284 -12.463 -4.047 1.00 99.99 C ATOM 1009 CD2 LEU C 36 -3.462 -11.481 -3.223 1.00 99.99 C ATOM 0 H LEU C 36 0.176 -9.229 -0.796 1.00 99.99 H new ATOM 0 HA LEU C 36 0.804 -10.876 -2.921 1.00 99.99 H new ATOM 0 HB2 LEU C 36 -1.203 -11.221 -1.595 1.00 99.99 H new ATOM 0 HB3 LEU C 36 -1.852 -9.665 -2.075 1.00 99.99 H new ATOM 0 HG LEU C 36 -2.002 -10.487 -4.431 1.00 99.99 H new ATOM 0 HD11 LEU C 36 -1.831 -12.915 -4.874 1.00 99.99 H new ATOM 0 HD12 LEU C 36 -0.273 -12.216 -4.372 1.00 99.99 H new ATOM 0 HD13 LEU C 36 -1.236 -13.167 -3.216 1.00 99.99 H new ATOM 0 HD21 LEU C 36 -3.963 -11.955 -4.067 1.00 99.99 H new ATOM 0 HD22 LEU C 36 -3.490 -12.149 -2.362 1.00 99.99 H new ATOM 0 HD23 LEU C 36 -3.971 -10.549 -2.976 1.00 99.99 H new ATOM 1021 N HIS C 37 -0.413 -7.838 -3.750 1.00 99.99 N ATOM 1022 CA HIS C 37 -0.633 -6.873 -4.800 1.00 99.99 C ATOM 1023 C HIS C 37 0.668 -6.543 -5.482 1.00 99.99 C ATOM 1024 O HIS C 37 0.690 -6.202 -6.662 1.00 99.99 O ATOM 1025 CB HIS C 37 -1.256 -5.567 -4.250 1.00 99.99 C ATOM 1026 CG HIS C 37 -1.689 -4.592 -5.314 1.00 99.99 C ATOM 1027 ND1 HIS C 37 -1.954 -3.277 -5.042 1.00 99.99 N ATOM 1028 CD2 HIS C 37 -1.945 -4.785 -6.630 1.00 99.99 C ATOM 1029 CE1 HIS C 37 -2.348 -2.689 -6.163 1.00 99.99 C ATOM 1030 NE2 HIS C 37 -2.351 -3.583 -7.142 1.00 99.99 N ATOM 0 H HIS C 37 -0.632 -7.473 -2.823 1.00 99.99 H new ATOM 0 HA HIS C 37 -1.327 -7.319 -5.512 1.00 99.99 H new ATOM 0 HB2 HIS C 37 -2.118 -5.821 -3.633 1.00 99.99 H new ATOM 0 HB3 HIS C 37 -0.531 -5.078 -3.599 1.00 99.99 H new ATOM 0 HD2 HIS C 37 -1.847 -5.713 -7.173 1.00 99.99 H new ATOM 0 HE1 HIS C 37 -2.622 -1.649 -6.263 1.00 99.99 H new ATOM 0 HE2 HIS C 37 -2.612 -3.405 -8.112 1.00 99.99 H new ATOM 1038 N LEU C 38 1.794 -6.683 -4.740 1.00 99.99 N ATOM 1039 CA LEU C 38 3.130 -6.424 -5.263 1.00 99.99 C ATOM 1040 C LEU C 38 3.516 -7.533 -6.230 1.00 99.99 C ATOM 1041 O LEU C 38 4.049 -7.245 -7.271 1.00 99.99 O ATOM 1042 CB LEU C 38 4.208 -6.407 -4.171 1.00 99.99 C ATOM 1043 CG LEU C 38 5.635 -6.158 -4.717 1.00 99.99 C ATOM 1044 CD1 LEU C 38 5.735 -4.818 -5.457 1.00 99.99 C ATOM 1045 CD2 LEU C 38 6.695 -6.241 -3.618 1.00 99.99 C ATOM 0 H LEU C 38 1.786 -6.979 -3.764 1.00 99.99 H new ATOM 0 HA LEU C 38 3.086 -5.444 -5.739 1.00 99.99 H new ATOM 0 HB2 LEU C 38 3.965 -5.632 -3.444 1.00 99.99 H new ATOM 0 HB3 LEU C 38 4.191 -7.359 -3.640 1.00 99.99 H new ATOM 0 HG LEU C 38 5.833 -6.957 -5.432 1.00 99.99 H new ATOM 0 HD11 LEU C 38 6.752 -4.680 -5.825 1.00 99.99 H new ATOM 0 HD12 LEU C 38 5.041 -4.814 -6.298 1.00 99.99 H new ATOM 0 HD13 LEU C 38 5.483 -4.006 -4.775 1.00 99.99 H new ATOM 0 HD21 LEU C 38 7.680 -6.060 -4.048 1.00 99.99 H new ATOM 0 HD22 LEU C 38 6.488 -5.490 -2.856 1.00 99.99 H new ATOM 0 HD23 LEU C 38 6.673 -7.233 -3.166 1.00 99.99 H new ATOM 1057 N ILE C 39 3.251 -8.711 -5.870 1.00 99.99 N ATOM 1058 CA ILE C 39 3.590 -9.873 -6.685 1.00 99.99 C ATOM 1059 C ILE C 39 2.771 -9.841 -7.967 1.00 99.99 C ATOM 1060 O ILE C 39 3.309 -10.109 -9.013 1.00 99.99 O ATOM 1061 CB ILE C 39 3.262 -11.205 -5.995 1.00 99.99 C ATOM 1062 CG1 ILE C 39 4.186 -11.404 -4.773 1.00 99.99 C ATOM 1063 CG2 ILE C 39 3.420 -12.375 -6.989 1.00 99.99 C ATOM 1064 CD1 ILE C 39 3.817 -12.617 -3.909 1.00 99.99 C ATOM 0 H ILE C 39 2.785 -8.941 -4.992 1.00 99.99 H new ATOM 0 HA ILE C 39 4.664 -9.818 -6.865 1.00 99.99 H new ATOM 0 HB ILE C 39 2.227 -11.183 -5.653 1.00 99.99 H new ATOM 0 HG12 ILE C 39 5.213 -11.516 -5.120 1.00 99.99 H new ATOM 0 HG13 ILE C 39 4.154 -10.506 -4.155 1.00 99.99 H new ATOM 0 HG21 ILE C 39 3.184 -13.313 -6.487 1.00 99.99 H new ATOM 0 HG22 ILE C 39 2.741 -12.233 -7.829 1.00 99.99 H new ATOM 0 HG23 ILE C 39 4.447 -12.406 -7.354 1.00 99.99 H new ATOM 0 HD11 ILE C 39 4.510 -12.691 -3.071 1.00 99.99 H new ATOM 0 HD12 ILE C 39 2.802 -12.499 -3.531 1.00 99.99 H new ATOM 0 HD13 ILE C 39 3.877 -13.524 -4.511 1.00 99.99 H new ATOM 1076 N LEU C 40 1.553 -9.540 -7.852 1.00 99.99 N ATOM 1077 CA LEU C 40 0.647 -9.497 -8.993 1.00 99.99 C ATOM 1078 C LEU C 40 1.135 -8.453 -9.986 1.00 99.99 C ATOM 1079 O LEU C 40 1.147 -8.723 -11.161 1.00 99.99 O ATOM 1080 CB LEU C 40 -0.782 -9.091 -8.608 1.00 99.99 C ATOM 1081 CG LEU C 40 -1.579 -10.142 -7.804 1.00 99.99 C ATOM 1082 CD1 LEU C 40 -2.943 -9.553 -7.392 1.00 99.99 C ATOM 1083 CD2 LEU C 40 -1.786 -11.444 -8.589 1.00 99.99 C ATOM 0 H LEU C 40 1.112 -9.306 -6.963 1.00 99.99 H new ATOM 0 HA LEU C 40 0.635 -10.504 -9.409 1.00 99.99 H new ATOM 0 HB2 LEU C 40 -0.735 -8.172 -8.024 1.00 99.99 H new ATOM 0 HB3 LEU C 40 -1.334 -8.862 -9.520 1.00 99.99 H new ATOM 0 HG LEU C 40 -0.995 -10.390 -6.917 1.00 99.99 H new ATOM 0 HD11 LEU C 40 -3.504 -10.296 -6.825 1.00 99.99 H new ATOM 0 HD12 LEU C 40 -2.786 -8.668 -6.775 1.00 99.99 H new ATOM 0 HD13 LEU C 40 -3.505 -9.278 -8.284 1.00 99.99 H new ATOM 0 HD21 LEU C 40 -2.351 -12.150 -7.980 1.00 99.99 H new ATOM 0 HD22 LEU C 40 -2.337 -11.233 -9.505 1.00 99.99 H new ATOM 0 HD23 LEU C 40 -0.817 -11.876 -8.840 1.00 99.99 H new ATOM 1095 N TRP C 41 1.503 -7.345 -9.507 1.00 99.99 N ATOM 1096 CA TRP C 41 1.968 -6.247 -10.344 1.00 99.99 C ATOM 1097 C TRP C 41 3.291 -6.633 -10.988 1.00 99.99 C ATOM 1098 O TRP C 41 3.477 -6.369 -12.150 1.00 99.99 O ATOM 1099 CB TRP C 41 2.230 -4.960 -9.550 1.00 99.99 C ATOM 1100 CG TRP C 41 2.614 -3.770 -10.412 1.00 99.99 C ATOM 1101 CD1 TRP C 41 1.780 -2.994 -11.157 1.00 99.99 C ATOM 1102 CD2 TRP C 41 3.951 -3.316 -10.682 1.00 99.99 C ATOM 1103 NE1 TRP C 41 2.493 -2.030 -11.813 1.00 99.99 N ATOM 1104 CE2 TRP C 41 3.830 -2.232 -11.571 1.00 99.99 C ATOM 1105 CE3 TRP C 41 5.198 -3.752 -10.221 1.00 99.99 C ATOM 1106 CZ2 TRP C 41 4.953 -1.546 -12.008 1.00 99.99 C ATOM 1107 CZ3 TRP C 41 6.325 -3.065 -10.676 1.00 99.99 C ATOM 1108 CH2 TRP C 41 6.213 -1.975 -11.557 1.00 99.99 C ATOM 0 H TRP C 41 1.503 -7.135 -8.509 1.00 99.99 H new ATOM 0 HA TRP C 41 1.180 -6.063 -11.074 1.00 99.99 H new ATOM 0 HB2 TRP C 41 1.336 -4.709 -8.979 1.00 99.99 H new ATOM 0 HB3 TRP C 41 3.026 -5.146 -8.829 1.00 99.99 H new ATOM 0 HD1 TRP C 41 0.709 -3.122 -11.221 1.00 99.99 H new ATOM 0 HE1 TRP C 41 2.098 -1.285 -12.387 1.00 99.99 H new ATOM 0 HE3 TRP C 41 5.285 -4.586 -9.541 1.00 99.99 H new ATOM 0 HZ2 TRP C 41 4.862 -0.704 -12.678 1.00 99.99 H new ATOM 0 HZ3 TRP C 41 7.304 -3.378 -10.344 1.00 99.99 H new ATOM 0 HH2 TRP C 41 7.103 -1.463 -11.890 1.00 99.99 H new ATOM 1119 N ILE C 42 4.133 -7.209 -10.244 1.00 99.99 N ATOM 1120 CA ILE C 42 5.452 -7.610 -10.723 1.00 99.99 C ATOM 1121 C ILE C 42 5.295 -8.703 -11.770 1.00 99.99 C ATOM 1122 O ILE C 42 5.974 -8.661 -12.766 1.00 99.99 O ATOM 1123 CB ILE C 42 6.335 -8.197 -9.616 1.00 99.99 C ATOM 1124 CG1 ILE C 42 6.778 -7.081 -8.641 1.00 99.99 C ATOM 1125 CG2 ILE C 42 7.571 -8.904 -10.214 1.00 99.99 C ATOM 1126 CD1 ILE C 42 7.590 -7.596 -7.443 1.00 99.99 C ATOM 0 H ILE C 42 3.959 -7.435 -9.265 1.00 99.99 H new ATOM 0 HA ILE C 42 5.922 -6.709 -11.118 1.00 99.99 H new ATOM 0 HB ILE C 42 5.751 -8.937 -9.068 1.00 99.99 H new ATOM 0 HG12 ILE C 42 7.375 -6.350 -9.186 1.00 99.99 H new ATOM 0 HG13 ILE C 42 5.894 -6.560 -8.273 1.00 99.99 H new ATOM 0 HG21 ILE C 42 8.182 -9.312 -9.409 1.00 99.99 H new ATOM 0 HG22 ILE C 42 7.246 -9.713 -10.869 1.00 99.99 H new ATOM 0 HG23 ILE C 42 8.159 -8.187 -10.787 1.00 99.99 H new ATOM 0 HD11 ILE C 42 7.866 -6.758 -6.803 1.00 99.99 H new ATOM 0 HD12 ILE C 42 6.989 -8.305 -6.874 1.00 99.99 H new ATOM 0 HD13 ILE C 42 8.492 -8.091 -7.801 1.00 99.99 H new ATOM 1138 N LEU C 43 4.452 -9.608 -11.521 1.00 99.99 N ATOM 1139 CA LEU C 43 4.221 -10.728 -12.425 1.00 99.99 C ATOM 1140 C LEU C 43 3.630 -10.210 -13.729 1.00 99.99 C ATOM 1141 O LEU C 43 3.922 -10.756 -14.762 1.00 99.99 O ATOM 1142 CB LEU C 43 3.216 -11.745 -11.869 1.00 99.99 C ATOM 1143 CG LEU C 43 3.733 -12.558 -10.659 1.00 99.99 C ATOM 1144 CD1 LEU C 43 2.578 -13.344 -10.012 1.00 99.99 C ATOM 1145 CD2 LEU C 43 4.867 -13.517 -11.052 1.00 99.99 C ATOM 0 H LEU C 43 3.875 -9.626 -10.680 1.00 99.99 H new ATOM 0 HA LEU C 43 5.187 -11.214 -12.563 1.00 99.99 H new ATOM 0 HB2 LEU C 43 2.308 -11.218 -11.576 1.00 99.99 H new ATOM 0 HB3 LEU C 43 2.940 -12.437 -12.665 1.00 99.99 H new ATOM 0 HG LEU C 43 4.137 -11.847 -9.938 1.00 99.99 H new ATOM 0 HD11 LEU C 43 2.956 -13.912 -9.162 1.00 99.99 H new ATOM 0 HD12 LEU C 43 1.810 -12.649 -9.672 1.00 99.99 H new ATOM 0 HD13 LEU C 43 2.149 -14.029 -10.744 1.00 99.99 H new ATOM 0 HD21 LEU C 43 5.199 -14.067 -10.172 1.00 99.99 H new ATOM 0 HD22 LEU C 43 4.506 -14.219 -11.804 1.00 99.99 H new ATOM 0 HD23 LEU C 43 5.701 -12.946 -11.460 1.00 99.99 H new ATOM 1157 N ASP C 44 2.845 -9.226 -13.641 1.00 99.99 N ATOM 1158 CA ASP C 44 2.188 -8.646 -14.804 1.00 99.99 C ATOM 1159 C ASP C 44 3.231 -7.978 -15.691 1.00 99.99 C ATOM 1160 O ASP C 44 3.146 -8.098 -16.887 1.00 99.99 O ATOM 1161 CB ASP C 44 1.172 -7.555 -14.436 1.00 99.99 C ATOM 1162 CG ASP C 44 0.420 -7.012 -15.667 1.00 99.99 C ATOM 1163 OD1 ASP C 44 -0.360 -7.783 -16.276 1.00 99.99 O ATOM 1164 OD2 ASP C 44 0.570 -5.798 -15.997 1.00 99.99 O ATOM 0 H ASP C 44 2.613 -8.767 -12.760 1.00 99.99 H new ATOM 0 HA ASP C 44 1.670 -9.466 -15.302 1.00 99.99 H new ATOM 0 HB2 ASP C 44 0.453 -7.958 -13.723 1.00 99.99 H new ATOM 0 HB3 ASP C 44 1.689 -6.734 -13.938 1.00 99.99 H new ATOM 1169 N ARG C 45 4.134 -7.322 -15.104 1.00 99.99 N ATOM 1170 CA ARG C 45 5.182 -6.613 -15.830 1.00 99.99 C ATOM 1171 C ARG C 45 6.039 -7.615 -16.588 1.00 99.99 C ATOM 1172 O ARG C 45 6.360 -7.370 -17.723 1.00 99.99 O ATOM 1173 CB ARG C 45 6.134 -5.844 -14.904 1.00 99.99 C ATOM 1174 CG ARG C 45 5.457 -4.689 -14.138 1.00 99.99 C ATOM 1175 CD ARG C 45 5.186 -3.459 -15.015 1.00 99.99 C ATOM 1176 NE ARG C 45 3.787 -3.560 -15.564 1.00 99.99 N ATOM 1177 CZ ARG C 45 3.422 -2.890 -16.674 1.00 99.99 C ATOM 1178 NH1 ARG C 45 4.281 -2.086 -17.325 1.00 99.99 N ATOM 1179 NH2 ARG C 45 2.157 -3.017 -17.108 1.00 99.99 N ATOM 0 H ARG C 45 4.201 -7.237 -14.090 1.00 99.99 H new ATOM 0 HA ARG C 45 4.673 -5.909 -16.489 1.00 99.99 H new ATOM 0 HB2 ARG C 45 6.568 -6.539 -14.185 1.00 99.99 H new ATOM 0 HB3 ARG C 45 6.957 -5.443 -15.496 1.00 99.99 H new ATOM 0 HG2 ARG C 45 4.515 -5.043 -13.718 1.00 99.99 H new ATOM 0 HG3 ARG C 45 6.090 -4.397 -13.300 1.00 99.99 H new ATOM 0 HD2 ARG C 45 5.298 -2.546 -14.431 1.00 99.99 H new ATOM 0 HD3 ARG C 45 5.909 -3.408 -15.829 1.00 99.99 H new ATOM 0 HE ARG C 45 3.103 -4.147 -15.086 1.00 99.99 H new ATOM 0 HH11 ARG C 45 5.234 -1.972 -16.980 1.00 99.99 H new ATOM 0 HH12 ARG C 45 3.979 -1.590 -18.164 1.00 99.99 H new ATOM 0 HH21 ARG C 45 1.500 -3.609 -16.600 1.00 99.99 H new ATOM 0 HH22 ARG C 45 1.853 -2.521 -17.946 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 6.455 -10.357 -17.701 1.00 99.99 C ATOM 1196 O LEU C 46 5.455 -11.040 -17.487 1.00 99.99 O ATOM 1197 CB LEU C 46 7.573 -10.811 -15.573 1.00 99.99 C ATOM 1198 CG LEU C 46 8.346 -10.407 -14.293 1.00 99.99 C ATOM 1199 CD1 LEU C 46 8.388 -11.622 -13.347 1.00 99.99 C ATOM 1200 CD2 LEU C 46 9.767 -9.906 -14.575 1.00 99.99 C ATOM 0 H LEU C 46 6.080 -8.860 -15.006 1.00 99.99 H new ATOM 0 HA LEU C 46 8.121 -9.194 -16.887 1.00 99.99 H new ATOM 0 HB2 LEU C 46 6.650 -11.305 -15.268 1.00 99.99 H new ATOM 0 HB3 LEU C 46 8.169 -11.551 -16.107 1.00 99.99 H new ATOM 0 HG LEU C 46 7.819 -9.570 -13.834 1.00 99.99 H new ATOM 0 HD11 LEU C 46 8.929 -11.357 -12.439 1.00 99.99 H new ATOM 0 HD12 LEU C 46 7.371 -11.919 -13.090 1.00 99.99 H new ATOM 0 HD13 LEU C 46 8.894 -12.451 -13.842 1.00 99.99 H new ATOM 0 HD21 LEU C 46 10.252 -9.640 -13.636 1.00 99.99 H new ATOM 0 HD22 LEU C 46 10.339 -10.692 -15.069 1.00 99.99 H new ATOM 0 HD23 LEU C 46 9.722 -9.029 -15.221 1.00 99.99 H new TER 1212 LEU C 46 ATOM 1213 N SER D 22 10.397 -0.527 18.948 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 7.859 -1.400 18.451 1.00 99.99 O ATOM 1217 CB SER D 22 11.006 -2.529 17.541 1.00 99.99 C ATOM 1218 OG SER D 22 10.757 -3.498 18.558 1.00 99.99 O ATOM 0 HA SER D 22 10.372 -0.575 16.861 1.00 99.99 H new ATOM 0 HB2 SER D 22 10.833 -2.983 16.565 1.00 99.99 H new ATOM 0 HB3 SER D 22 12.056 -2.238 17.575 1.00 99.99 H new ATOM 0 HG SER D 22 11.341 -4.273 18.421 1.00 99.99 H new ATOM 1223 N SER D 23 8.284 -2.124 16.342 1.00 99.99 N ATOM 1224 CA SER D 23 6.954 -2.609 16.057 1.00 99.99 C ATOM 1225 C SER D 23 7.130 -4.036 15.603 1.00 99.99 C ATOM 1226 O SER D 23 8.187 -4.631 15.812 1.00 99.99 O ATOM 1227 CB SER D 23 6.229 -1.766 14.979 1.00 99.99 C ATOM 1228 OG SER D 23 6.046 -0.433 15.438 1.00 99.99 O ATOM 0 H SER D 23 8.926 -2.219 15.555 1.00 99.99 H new ATOM 0 HA SER D 23 6.323 -2.536 16.943 1.00 99.99 H new ATOM 0 HB2 SER D 23 6.810 -1.764 14.057 1.00 99.99 H new ATOM 0 HB3 SER D 23 5.263 -2.214 14.746 1.00 99.99 H new ATOM 0 HG SER D 23 5.588 0.091 14.748 1.00 99.99 H new ATOM 1234 N ASP D 24 6.075 -4.634 14.992 1.00 99.99 N ATOM 1235 CA ASP D 24 6.040 -6.040 14.631 1.00 99.99 C ATOM 1236 C ASP D 24 6.645 -6.200 13.253 1.00 99.99 C ATOM 1237 O ASP D 24 6.566 -5.255 12.475 1.00 99.99 O ATOM 1238 CB ASP D 24 4.590 -6.599 14.597 1.00 99.99 C ATOM 1239 CG ASP D 24 3.924 -6.525 15.975 1.00 99.99 C ATOM 1240 OD1 ASP D 24 4.649 -6.439 17.003 1.00 99.99 O ATOM 1241 OD2 ASP D 24 2.665 -6.564 16.013 1.00 99.99 O ATOM 0 H ASP D 24 5.224 -4.131 14.741 1.00 99.99 H new ATOM 0 HA ASP D 24 6.601 -6.594 15.384 1.00 99.99 H new ATOM 0 HB2 ASP D 24 3.999 -6.035 13.876 1.00 99.99 H new ATOM 0 HB3 ASP D 24 4.606 -7.634 14.255 1.00 99.99 H new ATOM 1246 N PRO D 25 7.272 -7.319 12.883 1.00 99.99 N ATOM 1247 CA PRO D 25 8.156 -7.379 11.728 1.00 99.99 C ATOM 1248 C PRO D 25 7.408 -7.382 10.414 1.00 99.99 C ATOM 1249 O PRO D 25 8.008 -6.974 9.431 1.00 99.99 O ATOM 1250 CB PRO D 25 8.946 -8.685 11.911 1.00 99.99 C ATOM 1251 CG PRO D 25 8.055 -9.545 12.810 1.00 99.99 C ATOM 1252 CD PRO D 25 7.406 -8.507 13.722 1.00 99.99 C ATOM 0 HA PRO D 25 8.796 -6.498 11.681 1.00 99.99 H new ATOM 0 HB2 PRO D 25 9.135 -9.173 10.955 1.00 99.99 H new ATOM 0 HB3 PRO D 25 9.916 -8.501 12.372 1.00 99.99 H new ATOM 0 HG2 PRO D 25 7.314 -10.100 12.235 1.00 99.99 H new ATOM 0 HG3 PRO D 25 8.633 -10.276 13.375 1.00 99.99 H new ATOM 0 HD2 PRO D 25 6.437 -8.848 14.085 1.00 99.99 H new ATOM 0 HD3 PRO D 25 8.023 -8.307 14.598 1.00 99.99 H new ATOM 1260 N LEU D 26 6.136 -7.840 10.377 1.00 99.99 N ATOM 1261 CA LEU D 26 5.213 -7.814 9.250 1.00 99.99 C ATOM 1262 C LEU D 26 4.766 -6.382 8.996 1.00 99.99 C ATOM 1263 O LEU D 26 4.706 -5.980 7.862 1.00 99.99 O ATOM 1264 CB LEU D 26 3.936 -8.627 9.503 1.00 99.99 C ATOM 1265 CG LEU D 26 2.810 -8.477 8.455 1.00 99.99 C ATOM 1266 CD1 LEU D 26 3.215 -8.995 7.073 1.00 99.99 C ATOM 1267 CD2 LEU D 26 1.534 -9.176 8.943 1.00 99.99 C ATOM 0 H LEU D 26 5.710 -8.266 11.200 1.00 99.99 H new ATOM 0 HA LEU D 26 5.752 -8.245 8.406 1.00 99.99 H new ATOM 0 HB2 LEU D 26 4.208 -9.681 9.565 1.00 99.99 H new ATOM 0 HB3 LEU D 26 3.537 -8.343 10.477 1.00 99.99 H new ATOM 0 HG LEU D 26 2.616 -7.410 8.344 1.00 99.99 H new ATOM 0 HD11 LEU D 26 2.386 -8.864 6.378 1.00 99.99 H new ATOM 0 HD12 LEU D 26 4.080 -8.437 6.715 1.00 99.99 H new ATOM 0 HD13 LEU D 26 3.468 -10.053 7.141 1.00 99.99 H new ATOM 0 HD21 LEU D 26 0.749 -9.063 8.196 1.00 99.99 H new ATOM 0 HD22 LEU D 26 1.737 -10.236 9.099 1.00 99.99 H new ATOM 0 HD23 LEU D 26 1.209 -8.727 9.881 1.00 99.99 H new ATOM 1279 N VAL D 27 4.475 -5.695 10.014 1.00 99.99 N ATOM 1280 CA VAL D 27 4.009 -4.316 9.916 1.00 99.99 C ATOM 1281 C VAL D 27 5.133 -3.440 9.384 1.00 99.99 C ATOM 1282 O VAL D 27 4.892 -2.644 8.512 1.00 99.99 O ATOM 1283 CB VAL D 27 3.605 -3.725 11.274 1.00 99.99 C ATOM 1284 CG1 VAL D 27 3.237 -2.235 11.133 1.00 99.99 C ATOM 1285 CG2 VAL D 27 2.393 -4.501 11.835 1.00 99.99 C ATOM 0 H VAL D 27 4.542 -6.045 10.970 1.00 99.99 H new ATOM 0 HA VAL D 27 3.140 -4.333 9.258 1.00 99.99 H new ATOM 0 HB VAL D 27 4.451 -3.813 11.956 1.00 99.99 H new ATOM 0 HG11 VAL D 27 2.954 -1.836 12.107 1.00 99.99 H new ATOM 0 HG12 VAL D 27 4.095 -1.683 10.751 1.00 99.99 H new ATOM 0 HG13 VAL D 27 2.401 -2.131 10.441 1.00 99.99 H new ATOM 0 HG21 VAL D 27 2.107 -4.081 12.799 1.00 99.99 H new ATOM 0 HG22 VAL D 27 1.556 -4.420 11.141 1.00 99.99 H new ATOM 0 HG23 VAL D 27 2.660 -5.550 11.961 1.00 99.99 H new ATOM 1295 N VAL D 28 6.271 -3.602 9.907 1.00 99.99 N ATOM 1296 CA VAL D 28 7.432 -2.813 9.512 1.00 99.99 C ATOM 1297 C VAL D 28 7.834 -3.185 8.094 1.00 99.99 C ATOM 1298 O VAL D 28 8.118 -2.309 7.316 1.00 99.99 O ATOM 1299 CB VAL D 28 8.659 -3.074 10.395 1.00 99.99 C ATOM 1300 CG1 VAL D 28 9.909 -2.359 9.841 1.00 99.99 C ATOM 1301 CG2 VAL D 28 8.374 -2.605 11.835 1.00 99.99 C ATOM 0 H VAL D 28 6.464 -4.288 10.637 1.00 99.99 H new ATOM 0 HA VAL D 28 7.139 -1.767 9.606 1.00 99.99 H new ATOM 0 HB VAL D 28 8.859 -4.146 10.395 1.00 99.99 H new ATOM 0 HG11 VAL D 28 10.762 -2.563 10.488 1.00 99.99 H new ATOM 0 HG12 VAL D 28 10.121 -2.723 8.836 1.00 99.99 H new ATOM 0 HG13 VAL D 28 9.728 -1.285 9.807 1.00 99.99 H new ATOM 0 HG21 VAL D 28 9.248 -2.792 12.458 1.00 99.99 H new ATOM 0 HG22 VAL D 28 8.152 -1.538 11.833 1.00 99.99 H new ATOM 0 HG23 VAL D 28 7.520 -3.153 12.234 1.00 99.99 H new ATOM 1311 N ALA D 29 7.853 -4.415 7.817 1.00 99.99 N ATOM 1312 CA ALA D 29 8.246 -4.916 6.503 1.00 99.99 C ATOM 1313 C ALA D 29 7.286 -4.376 5.453 1.00 99.99 C ATOM 1314 O ALA D 29 7.731 -3.985 4.402 1.00 99.99 O ATOM 1315 CB ALA D 29 8.180 -6.445 6.403 1.00 99.99 C ATOM 0 H ALA D 29 7.598 -5.146 8.481 1.00 99.99 H new ATOM 0 HA ALA D 29 9.274 -4.590 6.345 1.00 99.99 H new ATOM 0 HB1 ALA D 29 8.483 -6.758 5.404 1.00 99.99 H new ATOM 0 HB2 ALA D 29 8.850 -6.887 7.140 1.00 99.99 H new ATOM 0 HB3 ALA D 29 7.160 -6.778 6.594 1.00 99.99 H new ATOM 1321 N ALA D 30 6.060 -4.378 5.752 1.00 99.99 N ATOM 1322 CA ALA D 30 5.031 -3.912 4.830 1.00 99.99 C ATOM 1323 C ALA D 30 5.253 -2.439 4.528 1.00 99.99 C ATOM 1324 O ALA D 30 5.019 -2.028 3.417 1.00 99.99 O ATOM 1325 CB ALA D 30 3.615 -4.025 5.411 1.00 99.99 C ATOM 0 H ALA D 30 5.699 -4.701 6.649 1.00 99.99 H new ATOM 0 HA ALA D 30 5.108 -4.541 3.943 1.00 99.99 H new ATOM 0 HB1 ALA D 30 2.892 -3.664 4.680 1.00 99.99 H new ATOM 0 HB2 ALA D 30 3.401 -5.067 5.648 1.00 99.99 H new ATOM 0 HB3 ALA D 30 3.545 -3.425 6.318 1.00 99.99 H new ATOM 1331 N SER D 31 5.674 -1.725 5.477 1.00 99.99 N ATOM 1332 CA SER D 31 5.907 -0.292 5.335 1.00 99.99 C ATOM 1333 C SER D 31 6.990 -0.061 4.292 1.00 99.99 C ATOM 1334 O SER D 31 6.813 0.771 3.438 1.00 99.99 O ATOM 1335 CB SER D 31 6.403 0.365 6.629 1.00 99.99 C ATOM 1336 OG SER D 31 5.397 0.317 7.640 1.00 99.99 O ATOM 0 H SER D 31 5.882 -2.089 6.407 1.00 99.99 H new ATOM 0 HA SER D 31 4.950 0.148 5.056 1.00 99.99 H new ATOM 0 HB2 SER D 31 7.301 -0.144 6.979 1.00 99.99 H new ATOM 0 HB3 SER D 31 6.679 1.401 6.433 1.00 99.99 H new ATOM 0 HG SER D 31 5.222 -0.616 7.883 1.00 99.99 H new ATOM 1342 N ILE D 32 8.033 -0.765 4.395 1.00 99.99 N ATOM 1343 CA ILE D 32 9.160 -0.629 3.480 1.00 99.99 C ATOM 1344 C ILE D 32 8.726 -1.032 2.079 1.00 99.99 C ATOM 1345 O ILE D 32 9.151 -0.420 1.135 1.00 99.99 O ATOM 1346 CB ILE D 32 10.339 -1.540 3.848 1.00 99.99 C ATOM 1347 CG1 ILE D 32 10.943 -1.109 5.203 1.00 99.99 C ATOM 1348 CG2 ILE D 32 11.425 -1.505 2.751 1.00 99.99 C ATOM 1349 CD1 ILE D 32 11.878 -2.166 5.807 1.00 99.99 C ATOM 0 H ILE D 32 8.166 -1.474 5.116 1.00 99.99 H new ATOM 0 HA ILE D 32 9.477 0.412 3.539 1.00 99.99 H new ATOM 0 HB ILE D 32 9.967 -2.561 3.931 1.00 99.99 H new ATOM 0 HG12 ILE D 32 11.494 -0.178 5.069 1.00 99.99 H new ATOM 0 HG13 ILE D 32 10.135 -0.903 5.905 1.00 99.99 H new ATOM 0 HG21 ILE D 32 12.250 -2.158 3.035 1.00 99.99 H new ATOM 0 HG22 ILE D 32 11.000 -1.846 1.807 1.00 99.99 H new ATOM 0 HG23 ILE D 32 11.793 -0.485 2.636 1.00 99.99 H new ATOM 0 HD11 ILE D 32 12.270 -1.804 6.758 1.00 99.99 H new ATOM 0 HD12 ILE D 32 11.324 -3.090 5.971 1.00 99.99 H new ATOM 0 HD13 ILE D 32 12.704 -2.355 5.122 1.00 99.99 H new ATOM 1361 N ILE D 33 7.933 -2.010 1.996 1.00 99.99 N ATOM 1362 CA ILE D 33 7.455 -2.523 0.717 1.00 99.99 C ATOM 1363 C ILE D 33 6.682 -1.429 -0.007 1.00 99.99 C ATOM 1364 O ILE D 33 6.907 -1.227 -1.172 1.00 99.99 O ATOM 1365 CB ILE D 33 6.488 -3.705 0.869 1.00 99.99 C ATOM 1366 CG1 ILE D 33 7.318 -4.999 1.059 1.00 99.99 C ATOM 1367 CG2 ILE D 33 5.536 -3.835 -0.334 1.00 99.99 C ATOM 1368 CD1 ILE D 33 6.525 -6.196 1.594 1.00 99.99 C ATOM 0 H ILE D 33 7.569 -2.511 2.807 1.00 99.99 H new ATOM 0 HA ILE D 33 8.339 -2.851 0.171 1.00 99.99 H new ATOM 0 HB ILE D 33 5.858 -3.533 1.741 1.00 99.99 H new ATOM 0 HG12 ILE D 33 7.762 -5.273 0.102 1.00 99.99 H new ATOM 0 HG13 ILE D 33 8.140 -4.790 1.744 1.00 99.99 H new ATOM 0 HG21 ILE D 33 4.871 -4.685 -0.181 1.00 99.99 H new ATOM 0 HG22 ILE D 33 4.945 -2.924 -0.430 1.00 99.99 H new ATOM 0 HG23 ILE D 33 6.117 -3.988 -1.243 1.00 99.99 H new ATOM 0 HD11 ILE D 33 7.188 -7.056 1.695 1.00 99.99 H new ATOM 0 HD12 ILE D 33 6.103 -5.947 2.568 1.00 99.99 H new ATOM 0 HD13 ILE D 33 5.719 -6.438 0.901 1.00 99.99 H new ATOM 1380 N GLY D 34 5.835 -0.791 0.677 1.00 99.99 N ATOM 1381 CA GLY D 34 5.008 0.267 0.105 1.00 99.99 C ATOM 1382 C GLY D 34 5.893 1.430 -0.310 1.00 99.99 C ATOM 1383 O GLY D 34 5.619 2.046 -1.309 1.00 99.99 O ATOM 0 H GLY D 34 5.665 -0.963 1.668 1.00 99.99 H new ATOM 0 HA2 GLY D 34 4.458 -0.112 -0.757 1.00 99.99 H new ATOM 0 HA3 GLY D 34 4.269 0.600 0.834 1.00 99.99 H new ATOM 1387 N ILE D 35 7.166 1.375 0.050 1.00 99.99 N ATOM 1388 CA ILE D 35 8.045 2.418 -0.470 1.00 99.99 C ATOM 1389 C ILE D 35 8.757 1.905 -1.712 1.00 99.99 C ATOM 1390 O ILE D 35 8.789 2.600 -2.696 1.00 99.99 O ATOM 1391 CB ILE D 35 9.142 2.823 0.522 1.00 99.99 C ATOM 1392 CG1 ILE D 35 8.513 3.352 1.836 1.00 99.99 C ATOM 1393 CG2 ILE D 35 10.050 3.899 -0.112 1.00 99.99 C ATOM 1394 CD1 ILE D 35 9.490 3.491 3.007 1.00 99.99 C ATOM 0 H ILE D 35 7.594 0.675 0.656 1.00 99.99 H new ATOM 0 HA ILE D 35 7.409 3.280 -0.674 1.00 99.99 H new ATOM 0 HB ILE D 35 9.745 1.947 0.759 1.00 99.99 H new ATOM 0 HG12 ILE D 35 8.062 4.325 1.640 1.00 99.99 H new ATOM 0 HG13 ILE D 35 7.707 2.681 2.132 1.00 99.99 H new ATOM 0 HG21 ILE D 35 10.827 4.183 0.597 1.00 99.99 H new ATOM 0 HG22 ILE D 35 10.511 3.500 -1.015 1.00 99.99 H new ATOM 0 HG23 ILE D 35 9.453 4.775 -0.366 1.00 99.99 H new ATOM 0 HD11 ILE D 35 8.959 3.867 3.881 1.00 99.99 H new ATOM 0 HD12 ILE D 35 9.923 2.518 3.237 1.00 99.99 H new ATOM 0 HD13 ILE D 35 10.284 4.187 2.738 1.00 99.99 H new ATOM 1406 N LEU D 36 9.280 0.761 -1.630 1.00 99.99 N ATOM 1407 CA LEU D 36 10.018 0.158 -2.736 1.00 99.99 C ATOM 1408 C LEU D 36 9.100 0.035 -3.942 1.00 99.99 C ATOM 1409 O LEU D 36 9.525 0.319 -5.033 1.00 99.99 O ATOM 1410 CB LEU D 36 10.512 -1.259 -2.421 1.00 99.99 C ATOM 1411 CG LEU D 36 11.185 -2.003 -3.594 1.00 99.99 C ATOM 1412 CD1 LEU D 36 12.463 -1.284 -4.047 1.00 99.99 C ATOM 1413 CD2 LEU D 36 11.481 -3.462 -3.223 1.00 99.99 C ATOM 0 H LEU D 36 9.229 0.176 -0.796 1.00 99.99 H new ATOM 0 HA LEU D 36 10.876 0.804 -2.921 1.00 99.99 H new ATOM 0 HB2 LEU D 36 11.221 -1.203 -1.595 1.00 99.99 H new ATOM 0 HB3 LEU D 36 9.665 -1.852 -2.075 1.00 99.99 H new ATOM 0 HG LEU D 36 10.487 -2.002 -4.431 1.00 99.99 H new ATOM 0 HD11 LEU D 36 12.915 -1.831 -4.874 1.00 99.99 H new ATOM 0 HD12 LEU D 36 12.216 -0.273 -4.372 1.00 99.99 H new ATOM 0 HD13 LEU D 36 13.167 -1.236 -3.216 1.00 99.99 H new ATOM 0 HD21 LEU D 36 11.955 -3.963 -4.067 1.00 99.99 H new ATOM 0 HD22 LEU D 36 12.149 -3.490 -2.362 1.00 99.99 H new ATOM 0 HD23 LEU D 36 10.549 -3.971 -2.976 1.00 99.99 H new ATOM 1425 N HIS D 37 7.838 -0.413 -3.750 1.00 99.99 N ATOM 1426 CA HIS D 37 6.873 -0.633 -4.800 1.00 99.99 C ATOM 1427 C HIS D 37 6.543 0.668 -5.482 1.00 99.99 C ATOM 1428 O HIS D 37 6.202 0.690 -6.662 1.00 99.99 O ATOM 1429 CB HIS D 37 5.567 -1.256 -4.250 1.00 99.99 C ATOM 1430 CG HIS D 37 4.592 -1.689 -5.314 1.00 99.99 C ATOM 1431 ND1 HIS D 37 3.277 -1.954 -5.042 1.00 99.99 N ATOM 1432 CD2 HIS D 37 4.785 -1.945 -6.630 1.00 99.99 C ATOM 1433 CE1 HIS D 37 2.689 -2.348 -6.163 1.00 99.99 C ATOM 1434 NE2 HIS D 37 3.583 -2.351 -7.142 1.00 99.99 N ATOM 0 H HIS D 37 7.473 -0.632 -2.823 1.00 99.99 H new ATOM 0 HA HIS D 37 7.319 -1.327 -5.512 1.00 99.99 H new ATOM 0 HB2 HIS D 37 5.821 -2.118 -3.633 1.00 99.99 H new ATOM 0 HB3 HIS D 37 5.078 -0.531 -3.599 1.00 99.99 H new ATOM 0 HD2 HIS D 37 5.713 -1.847 -7.173 1.00 99.99 H new ATOM 0 HE1 HIS D 37 1.649 -2.622 -6.263 1.00 99.99 H new ATOM 0 HE2 HIS D 37 3.405 -2.612 -8.112 1.00 99.99 H new ATOM 1442 N LEU D 38 6.683 1.794 -4.740 1.00 99.99 N ATOM 1443 CA LEU D 38 6.424 3.130 -5.263 1.00 99.99 C ATOM 1444 C LEU D 38 7.533 3.516 -6.230 1.00 99.99 C ATOM 1445 O LEU D 38 7.245 4.049 -7.271 1.00 99.99 O ATOM 1446 CB LEU D 38 6.407 4.208 -4.171 1.00 99.99 C ATOM 1447 CG LEU D 38 6.158 5.635 -4.717 1.00 99.99 C ATOM 1448 CD1 LEU D 38 4.818 5.735 -5.457 1.00 99.99 C ATOM 1449 CD2 LEU D 38 6.241 6.695 -3.618 1.00 99.99 C ATOM 0 H LEU D 38 6.979 1.786 -3.764 1.00 99.99 H new ATOM 0 HA LEU D 38 5.444 3.086 -5.739 1.00 99.99 H new ATOM 0 HB2 LEU D 38 5.632 3.965 -3.444 1.00 99.99 H new ATOM 0 HB3 LEU D 38 7.359 4.191 -3.640 1.00 99.99 H new ATOM 0 HG LEU D 38 6.957 5.833 -5.432 1.00 99.99 H new ATOM 0 HD11 LEU D 38 4.680 6.752 -5.825 1.00 99.99 H new ATOM 0 HD12 LEU D 38 4.814 5.041 -6.298 1.00 99.99 H new ATOM 0 HD13 LEU D 38 4.006 5.483 -4.775 1.00 99.99 H new ATOM 0 HD21 LEU D 38 6.060 7.680 -4.048 1.00 99.99 H new ATOM 0 HD22 LEU D 38 5.490 6.488 -2.856 1.00 99.99 H new ATOM 0 HD23 LEU D 38 7.233 6.673 -3.166 1.00 99.99 H new ATOM 1461 N ILE D 39 8.711 3.251 -5.870 1.00 99.99 N ATOM 1462 CA ILE D 39 9.873 3.590 -6.685 1.00 99.99 C ATOM 1463 C ILE D 39 9.841 2.771 -7.967 1.00 99.99 C ATOM 1464 O ILE D 39 10.109 3.309 -9.013 1.00 99.99 O ATOM 1465 CB ILE D 39 11.205 3.262 -5.995 1.00 99.99 C ATOM 1466 CG1 ILE D 39 11.404 4.186 -4.773 1.00 99.99 C ATOM 1467 CG2 ILE D 39 12.375 3.420 -6.989 1.00 99.99 C ATOM 1468 CD1 ILE D 39 12.617 3.817 -3.909 1.00 99.99 C ATOM 0 H ILE D 39 8.941 2.785 -4.992 1.00 99.99 H new ATOM 0 HA ILE D 39 9.818 4.664 -6.865 1.00 99.99 H new ATOM 0 HB ILE D 39 11.183 2.227 -5.653 1.00 99.99 H new ATOM 0 HG12 ILE D 39 11.516 5.213 -5.120 1.00 99.99 H new ATOM 0 HG13 ILE D 39 10.506 4.154 -4.155 1.00 99.99 H new ATOM 0 HG21 ILE D 39 13.313 3.184 -6.487 1.00 99.99 H new ATOM 0 HG22 ILE D 39 12.233 2.741 -7.829 1.00 99.99 H new ATOM 0 HG23 ILE D 39 12.406 4.447 -7.354 1.00 99.99 H new ATOM 0 HD11 ILE D 39 12.691 4.510 -3.071 1.00 99.99 H new ATOM 0 HD12 ILE D 39 12.499 2.802 -3.531 1.00 99.99 H new ATOM 0 HD13 ILE D 39 13.524 3.877 -4.511 1.00 99.99 H new ATOM 1480 N LEU D 40 9.540 1.553 -7.852 1.00 99.99 N ATOM 1481 CA LEU D 40 9.497 0.647 -8.993 1.00 99.99 C ATOM 1482 C LEU D 40 8.453 1.135 -9.986 1.00 99.99 C ATOM 1483 O LEU D 40 8.723 1.147 -11.161 1.00 99.99 O ATOM 1484 CB LEU D 40 9.091 -0.782 -8.608 1.00 99.99 C ATOM 1485 CG LEU D 40 10.142 -1.579 -7.804 1.00 99.99 C ATOM 1486 CD1 LEU D 40 9.553 -2.943 -7.392 1.00 99.99 C ATOM 1487 CD2 LEU D 40 11.444 -1.786 -8.589 1.00 99.99 C ATOM 0 H LEU D 40 9.306 1.112 -6.963 1.00 99.99 H new ATOM 0 HA LEU D 40 10.504 0.635 -9.409 1.00 99.99 H new ATOM 0 HB2 LEU D 40 8.172 -0.735 -8.024 1.00 99.99 H new ATOM 0 HB3 LEU D 40 8.862 -1.334 -9.520 1.00 99.99 H new ATOM 0 HG LEU D 40 10.390 -0.995 -6.917 1.00 99.99 H new ATOM 0 HD11 LEU D 40 10.296 -3.504 -6.825 1.00 99.99 H new ATOM 0 HD12 LEU D 40 8.668 -2.786 -6.775 1.00 99.99 H new ATOM 0 HD13 LEU D 40 9.278 -3.505 -8.284 1.00 99.99 H new ATOM 0 HD21 LEU D 40 12.150 -2.351 -7.980 1.00 99.99 H new ATOM 0 HD22 LEU D 40 11.233 -2.337 -9.505 1.00 99.99 H new ATOM 0 HD23 LEU D 40 11.876 -0.817 -8.840 1.00 99.99 H new ATOM 1499 N TRP D 41 7.345 1.503 -9.507 1.00 99.99 N ATOM 1500 CA TRP D 41 6.247 1.968 -10.344 1.00 99.99 C ATOM 1501 C TRP D 41 6.633 3.291 -10.988 1.00 99.99 C ATOM 1502 O TRP D 41 6.369 3.477 -12.150 1.00 99.99 O ATOM 1503 CB TRP D 41 4.960 2.230 -9.550 1.00 99.99 C ATOM 1504 CG TRP D 41 3.770 2.614 -10.412 1.00 99.99 C ATOM 1505 CD1 TRP D 41 2.994 1.780 -11.157 1.00 99.99 C ATOM 1506 CD2 TRP D 41 3.316 3.951 -10.682 1.00 99.99 C ATOM 1507 NE1 TRP D 41 2.030 2.493 -11.813 1.00 99.99 N ATOM 1508 CE2 TRP D 41 2.232 3.830 -11.571 1.00 99.99 C ATOM 1509 CE3 TRP D 41 3.752 5.198 -10.221 1.00 99.99 C ATOM 1510 CZ2 TRP D 41 1.546 4.953 -12.008 1.00 99.99 C ATOM 1511 CZ3 TRP D 41 3.065 6.325 -10.676 1.00 99.99 C ATOM 1512 CH2 TRP D 41 1.975 6.213 -11.557 1.00 99.99 C ATOM 0 H TRP D 41 7.135 1.503 -8.509 1.00 99.99 H new ATOM 0 HA TRP D 41 6.063 1.180 -11.074 1.00 99.99 H new ATOM 0 HB2 TRP D 41 4.709 1.336 -8.979 1.00 99.99 H new ATOM 0 HB3 TRP D 41 5.146 3.026 -8.829 1.00 99.99 H new ATOM 0 HD1 TRP D 41 3.122 0.709 -11.221 1.00 99.99 H new ATOM 0 HE1 TRP D 41 1.285 2.098 -12.387 1.00 99.99 H new ATOM 0 HE3 TRP D 41 4.586 5.285 -9.541 1.00 99.99 H new ATOM 0 HZ2 TRP D 41 0.704 4.862 -12.678 1.00 99.99 H new ATOM 0 HZ3 TRP D 41 3.378 7.304 -10.344 1.00 99.99 H new ATOM 0 HH2 TRP D 41 1.463 7.103 -11.890 1.00 99.99 H new ATOM 1523 N ILE D 42 7.209 4.133 -10.244 1.00 99.99 N ATOM 1524 CA ILE D 42 7.610 5.452 -10.723 1.00 99.99 C ATOM 1525 C ILE D 42 8.703 5.295 -11.770 1.00 99.99 C ATOM 1526 O ILE D 42 8.661 5.974 -12.766 1.00 99.99 O ATOM 1527 CB ILE D 42 8.197 6.335 -9.616 1.00 99.99 C ATOM 1528 CG1 ILE D 42 7.081 6.778 -8.641 1.00 99.99 C ATOM 1529 CG2 ILE D 42 8.904 7.571 -10.214 1.00 99.99 C ATOM 1530 CD1 ILE D 42 7.596 7.590 -7.443 1.00 99.99 C ATOM 0 H ILE D 42 7.435 3.959 -9.265 1.00 99.99 H new ATOM 0 HA ILE D 42 6.709 5.922 -11.118 1.00 99.99 H new ATOM 0 HB ILE D 42 8.937 5.751 -9.068 1.00 99.99 H new ATOM 0 HG12 ILE D 42 6.350 7.375 -9.186 1.00 99.99 H new ATOM 0 HG13 ILE D 42 6.560 5.894 -8.273 1.00 99.99 H new ATOM 0 HG21 ILE D 42 9.312 8.182 -9.409 1.00 99.99 H new ATOM 0 HG22 ILE D 42 9.713 7.246 -10.869 1.00 99.99 H new ATOM 0 HG23 ILE D 42 8.187 8.159 -10.787 1.00 99.99 H new ATOM 0 HD11 ILE D 42 6.758 7.866 -6.803 1.00 99.99 H new ATOM 0 HD12 ILE D 42 8.305 6.989 -6.874 1.00 99.99 H new ATOM 0 HD13 ILE D 42 8.091 8.492 -7.801 1.00 99.99 H new ATOM 1542 N LEU D 43 9.608 4.452 -11.521 1.00 99.99 N ATOM 1543 CA LEU D 43 10.728 4.221 -12.425 1.00 99.99 C ATOM 1544 C LEU D 43 10.210 3.630 -13.729 1.00 99.99 C ATOM 1545 O LEU D 43 10.756 3.922 -14.762 1.00 99.99 O ATOM 1546 CB LEU D 43 11.745 3.216 -11.869 1.00 99.99 C ATOM 1547 CG LEU D 43 12.558 3.733 -10.659 1.00 99.99 C ATOM 1548 CD1 LEU D 43 13.344 2.578 -10.012 1.00 99.99 C ATOM 1549 CD2 LEU D 43 13.517 4.867 -11.052 1.00 99.99 C ATOM 0 H LEU D 43 9.626 3.875 -10.680 1.00 99.99 H new ATOM 0 HA LEU D 43 11.214 5.187 -12.563 1.00 99.99 H new ATOM 0 HB2 LEU D 43 11.218 2.308 -11.576 1.00 99.99 H new ATOM 0 HB3 LEU D 43 12.437 2.940 -12.665 1.00 99.99 H new ATOM 0 HG LEU D 43 11.847 4.137 -9.938 1.00 99.99 H new ATOM 0 HD11 LEU D 43 13.912 2.956 -9.162 1.00 99.99 H new ATOM 0 HD12 LEU D 43 12.649 1.810 -9.672 1.00 99.99 H new ATOM 0 HD13 LEU D 43 14.029 2.149 -10.744 1.00 99.99 H new ATOM 0 HD21 LEU D 43 14.067 5.199 -10.172 1.00 99.99 H new ATOM 0 HD22 LEU D 43 14.219 4.506 -11.804 1.00 99.99 H new ATOM 0 HD23 LEU D 43 12.946 5.701 -11.460 1.00 99.99 H new ATOM 1561 N ASP D 44 9.226 2.845 -13.641 1.00 99.99 N ATOM 1562 CA ASP D 44 8.646 2.188 -14.804 1.00 99.99 C ATOM 1563 C ASP D 44 7.978 3.231 -15.691 1.00 99.99 C ATOM 1564 O ASP D 44 8.098 3.146 -16.887 1.00 99.99 O ATOM 1565 CB ASP D 44 7.555 1.172 -14.436 1.00 99.99 C ATOM 1566 CG ASP D 44 7.012 0.420 -15.667 1.00 99.99 C ATOM 1567 OD1 ASP D 44 7.783 -0.360 -16.276 1.00 99.99 O ATOM 1568 OD2 ASP D 44 5.798 0.570 -15.997 1.00 99.99 O ATOM 0 H ASP D 44 8.767 2.613 -12.760 1.00 99.99 H new ATOM 0 HA ASP D 44 9.466 1.670 -15.302 1.00 99.99 H new ATOM 0 HB2 ASP D 44 7.958 0.453 -13.723 1.00 99.99 H new ATOM 0 HB3 ASP D 44 6.734 1.689 -13.938 1.00 99.99 H new ATOM 1573 N ARG D 45 7.322 4.134 -15.104 1.00 99.99 N ATOM 1574 CA ARG D 45 6.613 5.182 -15.830 1.00 99.99 C ATOM 1575 C ARG D 45 7.615 6.039 -16.588 1.00 99.99 C ATOM 1576 O ARG D 45 7.370 6.360 -17.723 1.00 99.99 O ATOM 1577 CB ARG D 45 5.844 6.134 -14.904 1.00 99.99 C ATOM 1578 CG ARG D 45 4.689 5.457 -14.138 1.00 99.99 C ATOM 1579 CD ARG D 45 3.459 5.186 -15.015 1.00 99.99 C ATOM 1580 NE ARG D 45 3.560 3.787 -15.564 1.00 99.99 N ATOM 1581 CZ ARG D 45 2.890 3.422 -16.674 1.00 99.99 C ATOM 1582 NH1 ARG D 45 2.086 4.281 -17.325 1.00 99.99 N ATOM 1583 NH2 ARG D 45 3.017 2.157 -17.108 1.00 99.99 N ATOM 0 H ARG D 45 7.237 4.201 -14.090 1.00 99.99 H new ATOM 0 HA ARG D 45 5.909 4.673 -16.489 1.00 99.99 H new ATOM 0 HB2 ARG D 45 6.539 6.568 -14.185 1.00 99.99 H new ATOM 0 HB3 ARG D 45 5.443 6.957 -15.496 1.00 99.99 H new ATOM 0 HG2 ARG D 45 5.043 4.515 -13.718 1.00 99.99 H new ATOM 0 HG3 ARG D 45 4.397 6.090 -13.300 1.00 99.99 H new ATOM 0 HD2 ARG D 45 2.546 5.298 -14.431 1.00 99.99 H new ATOM 0 HD3 ARG D 45 3.408 5.909 -15.829 1.00 99.99 H new ATOM 0 HE ARG D 45 4.147 3.103 -15.086 1.00 99.99 H new ATOM 0 HH11 ARG D 45 1.972 5.234 -16.980 1.00 99.99 H new ATOM 0 HH12 ARG D 45 1.590 3.979 -18.164 1.00 99.99 H new ATOM 0 HH21 ARG D 45 3.609 1.500 -16.600 1.00 99.99 H new ATOM 0 HH22 ARG D 45 2.521 1.853 -17.946 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 10.357 6.455 -17.701 1.00 99.99 C ATOM 1600 O LEU D 46 11.040 5.455 -17.487 1.00 99.99 O ATOM 1601 CB LEU D 46 10.811 7.573 -15.573 1.00 99.99 C ATOM 1602 CG LEU D 46 10.407 8.346 -14.293 1.00 99.99 C ATOM 1603 CD1 LEU D 46 11.622 8.388 -13.347 1.00 99.99 C ATOM 1604 CD2 LEU D 46 9.906 9.767 -14.575 1.00 99.99 C ATOM 0 H LEU D 46 8.860 6.080 -15.006 1.00 99.99 H new ATOM 0 HA LEU D 46 9.194 8.121 -16.887 1.00 99.99 H new ATOM 0 HB2 LEU D 46 11.305 6.650 -15.268 1.00 99.99 H new ATOM 0 HB3 LEU D 46 11.551 8.169 -16.107 1.00 99.99 H new ATOM 0 HG LEU D 46 9.570 7.819 -13.834 1.00 99.99 H new ATOM 0 HD11 LEU D 46 11.357 8.929 -12.439 1.00 99.99 H new ATOM 0 HD12 LEU D 46 11.919 7.371 -13.090 1.00 99.99 H new ATOM 0 HD13 LEU D 46 12.451 8.894 -13.842 1.00 99.99 H new ATOM 0 HD21 LEU D 46 9.640 10.252 -13.636 1.00 99.99 H new ATOM 0 HD22 LEU D 46 10.692 10.339 -15.069 1.00 99.99 H new ATOM 0 HD23 LEU D 46 9.029 9.722 -15.221 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