USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 844 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 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 67:sc= 0.463 USER MOD Single : A 37 HIS : no HD1:sc= -0.611 K(o=-0.61,f=-1.4) 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= 0.466 USER MOD Single : B 37 HIS : no HD1:sc= -0.587 K(o=-0.59,f=-1.4) 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 66:sc= 0.471 USER MOD Single : C 37 HIS : no HD1:sc= -0.579 K(o=-0.58,f=-1.4) 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 67:sc= 0.467 USER MOD Single : D 37 HIS : no HD1:sc= -0.61 K(o=-0.61,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 22 0.605 10.412 18.986 1.00 99.99 N ATOM 2 CA SER A 22 1.253 10.116 17.676 1.00 99.99 C ATOM 3 C SER A 22 1.594 8.656 17.532 1.00 99.99 C ATOM 4 O SER A 22 1.458 7.871 18.471 1.00 99.99 O ATOM 5 CB SER A 22 2.513 11.011 17.450 1.00 99.99 C ATOM 6 OG SER A 22 3.544 10.783 18.409 1.00 99.99 O ATOM 0 HA SER A 22 0.526 10.356 16.901 1.00 99.99 H new ATOM 0 HB2 SER A 22 2.908 10.826 16.451 1.00 99.99 H new ATOM 0 HB3 SER A 22 2.217 12.059 17.487 1.00 99.99 H new ATOM 0 HG SER A 22 4.306 11.369 18.216 1.00 99.99 H new ATOM 11 N SER A 23 2.057 8.270 16.319 1.00 99.99 N ATOM 12 CA SER A 23 2.533 6.940 16.024 1.00 99.99 C ATOM 13 C SER A 23 3.960 7.110 15.566 1.00 99.99 C ATOM 14 O SER A 23 4.555 8.170 15.758 1.00 99.99 O ATOM 15 CB SER A 23 1.683 6.226 14.945 1.00 99.99 C ATOM 16 OG SER A 23 0.350 6.049 15.407 1.00 99.99 O ATOM 0 H SER A 23 2.102 8.901 15.519 1.00 99.99 H new ATOM 0 HA SER A 23 2.459 6.305 16.907 1.00 99.99 H new ATOM 0 HB2 SER A 23 1.682 6.812 14.026 1.00 99.99 H new ATOM 0 HB3 SER A 23 2.124 5.258 14.706 1.00 99.99 H new ATOM 0 HG SER A 23 -0.179 5.598 14.716 1.00 99.99 H new ATOM 22 N ASP A 24 4.559 6.046 14.972 1.00 99.99 N ATOM 23 CA ASP A 24 5.964 6.006 14.610 1.00 99.99 C ATOM 24 C ASP A 24 6.119 6.569 13.214 1.00 99.99 C ATOM 25 O ASP A 24 5.177 6.455 12.437 1.00 99.99 O ATOM 26 CB ASP A 24 6.530 4.559 14.620 1.00 99.99 C ATOM 27 CG ASP A 24 6.461 3.936 16.018 1.00 99.99 C ATOM 28 OD1 ASP A 24 6.372 4.692 17.023 1.00 99.99 O ATOM 29 OD2 ASP A 24 6.506 2.679 16.095 1.00 99.99 O ATOM 0 H ASP A 24 4.057 5.190 14.736 1.00 99.99 H new ATOM 0 HA ASP A 24 6.516 6.592 15.345 1.00 99.99 H new ATOM 0 HB2 ASP A 24 5.968 3.943 13.918 1.00 99.99 H new ATOM 0 HB3 ASP A 24 7.564 4.570 14.277 1.00 99.99 H new ATOM 34 N PRO A 25 7.232 7.196 12.825 1.00 99.99 N ATOM 35 CA PRO A 25 7.285 8.043 11.643 1.00 99.99 C ATOM 36 C PRO A 25 7.297 7.255 10.353 1.00 99.99 C ATOM 37 O PRO A 25 6.904 7.825 9.347 1.00 99.99 O ATOM 38 CB PRO A 25 8.582 8.853 11.802 1.00 99.99 C ATOM 39 CG PRO A 25 9.450 8.000 12.730 1.00 99.99 C ATOM 40 CD PRO A 25 8.418 7.369 13.661 1.00 99.99 C ATOM 0 HA PRO A 25 6.397 8.671 11.575 1.00 99.99 H new ATOM 0 HB2 PRO A 25 9.069 9.016 10.841 1.00 99.99 H new ATOM 0 HB3 PRO A 25 8.387 9.836 12.232 1.00 99.99 H new ATOM 0 HG2 PRO A 25 10.014 7.247 12.179 1.00 99.99 H new ATOM 0 HG3 PRO A 25 10.174 8.604 13.277 1.00 99.99 H new ATOM 0 HD2 PRO A 25 8.769 6.415 14.055 1.00 99.99 H new ATOM 0 HD3 PRO A 25 8.210 8.011 14.517 1.00 99.99 H new ATOM 48 N LEU A 26 7.748 5.979 10.362 1.00 99.99 N ATOM 49 CA LEU A 26 7.729 5.021 9.264 1.00 99.99 C ATOM 50 C LEU A 26 6.294 4.599 8.987 1.00 99.99 C ATOM 51 O LEU A 26 5.915 4.526 7.846 1.00 99.99 O ATOM 52 CB LEU A 26 8.505 3.735 9.578 1.00 99.99 C ATOM 53 CG LEU A 26 8.355 2.579 8.563 1.00 99.99 C ATOM 54 CD1 LEU A 26 8.918 2.927 7.183 1.00 99.99 C ATOM 55 CD2 LEU A 26 9.012 1.304 9.109 1.00 99.99 C ATOM 0 H LEU A 26 8.162 5.577 11.203 1.00 99.99 H new ATOM 0 HA LEU A 26 8.194 5.522 8.415 1.00 99.99 H new ATOM 0 HB2 LEU A 26 9.563 3.985 9.658 1.00 99.99 H new ATOM 0 HB3 LEU A 26 8.188 3.374 10.556 1.00 99.99 H new ATOM 0 HG LEU A 26 7.287 2.406 8.431 1.00 99.99 H new ATOM 0 HD11 LEU A 26 8.785 2.079 6.511 1.00 99.99 H new ATOM 0 HD12 LEU A 26 8.390 3.793 6.783 1.00 99.99 H new ATOM 0 HD13 LEU A 26 9.980 3.158 7.271 1.00 99.99 H new ATOM 0 HD21 LEU A 26 8.899 0.498 8.384 1.00 99.99 H new ATOM 0 HD22 LEU A 26 10.072 1.488 9.285 1.00 99.99 H new ATOM 0 HD23 LEU A 26 8.532 1.020 10.046 1.00 99.99 H new ATOM 67 N VAL A 27 5.579 4.340 9.995 1.00 99.99 N ATOM 68 CA VAL A 27 4.193 3.900 9.876 1.00 99.99 C ATOM 69 C VAL A 27 3.343 5.050 9.358 1.00 99.99 C ATOM 70 O VAL A 27 2.553 4.840 8.471 1.00 99.99 O ATOM 71 CB VAL A 27 3.583 3.481 11.220 1.00 99.99 C ATOM 72 CG1 VAL A 27 2.088 3.142 11.059 1.00 99.99 C ATOM 73 CG2 VAL A 27 4.333 2.245 11.765 1.00 99.99 C ATOM 0 H VAL A 27 5.910 4.417 10.957 1.00 99.99 H new ATOM 0 HA VAL A 27 4.200 3.043 9.202 1.00 99.99 H new ATOM 0 HB VAL A 27 3.680 4.312 11.919 1.00 99.99 H new ATOM 0 HG11 VAL A 27 1.676 2.847 12.024 1.00 99.99 H new ATOM 0 HG12 VAL A 27 1.554 4.017 10.688 1.00 99.99 H new ATOM 0 HG13 VAL A 27 1.975 2.321 10.351 1.00 99.99 H new ATOM 0 HG21 VAL A 27 3.899 1.948 12.720 1.00 99.99 H new ATOM 0 HG22 VAL A 27 4.244 1.423 11.055 1.00 99.99 H new ATOM 0 HG23 VAL A 27 5.386 2.491 11.906 1.00 99.99 H new ATOM 83 N VAL A 28 3.517 6.173 9.906 1.00 99.99 N ATOM 84 CA VAL A 28 2.751 7.355 9.527 1.00 99.99 C ATOM 85 C VAL A 28 3.171 7.801 8.135 1.00 99.99 C ATOM 86 O VAL A 28 2.322 8.103 7.335 1.00 99.99 O ATOM 87 CB VAL A 28 2.996 8.549 10.459 1.00 99.99 C ATOM 88 CG1 VAL A 28 2.311 9.825 9.926 1.00 99.99 C ATOM 89 CG2 VAL A 28 2.480 8.220 11.873 1.00 99.99 C ATOM 0 H VAL A 28 4.198 6.339 10.647 1.00 99.99 H new ATOM 0 HA VAL A 28 1.700 7.070 9.580 1.00 99.99 H new ATOM 0 HB VAL A 28 4.069 8.737 10.499 1.00 99.99 H new ATOM 0 HG11 VAL A 28 2.503 10.653 10.608 1.00 99.99 H new ATOM 0 HG12 VAL A 28 2.709 10.067 8.940 1.00 99.99 H new ATOM 0 HG13 VAL A 28 1.236 9.657 9.852 1.00 99.99 H new ATOM 0 HG21 VAL A 28 2.656 9.071 12.532 1.00 99.99 H new ATOM 0 HG22 VAL A 28 1.411 8.009 11.830 1.00 99.99 H new ATOM 0 HG23 VAL A 28 3.007 7.347 12.259 1.00 99.99 H new ATOM 99 N ALA A 29 4.410 7.834 7.904 1.00 99.99 N ATOM 100 CA ALA A 29 4.955 8.269 6.621 1.00 99.99 C ATOM 101 C ALA A 29 4.456 7.339 5.524 1.00 99.99 C ATOM 102 O ALA A 29 4.111 7.814 4.469 1.00 99.99 O ATOM 103 CB ALA A 29 6.487 8.211 6.572 1.00 99.99 C ATOM 0 H ALA A 29 5.118 7.563 8.586 1.00 99.99 H new ATOM 0 HA ALA A 29 4.631 9.300 6.484 1.00 99.99 H new ATOM 0 HB1 ALA A 29 6.833 8.546 5.594 1.00 99.99 H new ATOM 0 HB2 ALA A 29 6.901 8.859 7.345 1.00 99.99 H new ATOM 0 HB3 ALA A 29 6.818 7.187 6.742 1.00 99.99 H new ATOM 109 N ALA A 30 4.442 6.106 5.790 1.00 99.99 N ATOM 110 CA ALA A 30 4.012 5.104 4.822 1.00 99.99 C ATOM 111 C ALA A 30 2.541 5.312 4.499 1.00 99.99 C ATOM 112 O ALA A 30 2.156 5.115 3.372 1.00 99.99 O ATOM 113 CB ALA A 30 4.138 3.670 5.354 1.00 99.99 C ATOM 0 H ALA A 30 4.726 5.720 6.690 1.00 99.99 H new ATOM 0 HA ALA A 30 4.656 5.224 3.951 1.00 99.99 H new ATOM 0 HB1 ALA A 30 3.804 2.968 4.590 1.00 99.99 H new ATOM 0 HB2 ALA A 30 5.179 3.465 5.605 1.00 99.99 H new ATOM 0 HB3 ALA A 30 3.521 3.557 6.246 1.00 99.99 H new ATOM 119 N SER A 31 1.802 5.685 5.449 1.00 99.99 N ATOM 120 CA SER A 31 0.368 5.899 5.287 1.00 99.99 C ATOM 121 C SER A 31 0.137 6.990 4.252 1.00 99.99 C ATOM 122 O SER A 31 -0.693 6.819 3.395 1.00 99.99 O ATOM 123 CB SER A 31 -0.316 6.370 6.576 1.00 99.99 C ATOM 124 OG SER A 31 -0.270 5.354 7.576 1.00 99.99 O ATOM 0 H SER A 31 2.145 5.864 6.393 1.00 99.99 H new ATOM 0 HA SER A 31 -0.053 4.939 4.990 1.00 99.99 H new ATOM 0 HB2 SER A 31 0.174 7.271 6.944 1.00 99.99 H new ATOM 0 HB3 SER A 31 -1.353 6.634 6.367 1.00 99.99 H new ATOM 0 HG SER A 31 0.658 5.216 7.860 1.00 99.99 H new ATOM 130 N ILE A 32 0.839 8.033 4.365 1.00 99.99 N ATOM 131 CA ILE A 32 0.704 9.167 3.460 1.00 99.99 C ATOM 132 C ILE A 32 1.113 8.746 2.056 1.00 99.99 C ATOM 133 O ILE A 32 0.500 9.175 1.114 1.00 99.99 O ATOM 134 CB ILE A 32 1.611 10.346 3.840 1.00 99.99 C ATOM 135 CG1 ILE A 32 1.175 10.937 5.199 1.00 99.99 C ATOM 136 CG2 ILE A 32 1.577 11.440 2.752 1.00 99.99 C ATOM 137 CD1 ILE A 32 2.228 11.869 5.813 1.00 99.99 C ATOM 0 H ILE A 32 1.546 8.161 5.089 1.00 99.99 H new ATOM 0 HA ILE A 32 -0.338 9.481 3.519 1.00 99.99 H new ATOM 0 HB ILE A 32 2.633 9.977 3.923 1.00 99.99 H new ATOM 0 HG12 ILE A 32 0.243 11.487 5.068 1.00 99.99 H new ATOM 0 HG13 ILE A 32 0.969 10.123 5.894 1.00 99.99 H new ATOM 0 HG21 ILE A 32 2.227 12.264 3.044 1.00 99.99 H new ATOM 0 HG22 ILE A 32 1.923 11.023 1.806 1.00 99.99 H new ATOM 0 HG23 ILE A 32 0.557 11.806 2.636 1.00 99.99 H new ATOM 0 HD11 ILE A 32 1.863 12.252 6.766 1.00 99.99 H new ATOM 0 HD12 ILE A 32 3.153 11.316 5.974 1.00 99.99 H new ATOM 0 HD13 ILE A 32 2.416 12.702 5.135 1.00 99.99 H new ATOM 149 N ILE A 33 2.094 7.958 1.970 1.00 99.99 N ATOM 150 CA ILE A 33 2.613 7.493 0.688 1.00 99.99 C ATOM 151 C ILE A 33 1.527 6.713 -0.041 1.00 99.99 C ATOM 152 O ILE A 33 1.322 6.944 -1.205 1.00 99.99 O ATOM 153 CB ILE A 33 3.804 6.537 0.834 1.00 99.99 C ATOM 154 CG1 ILE A 33 5.090 7.379 1.030 1.00 99.99 C ATOM 155 CG2 ILE A 33 3.944 5.593 -0.373 1.00 99.99 C ATOM 156 CD1 ILE A 33 6.295 6.595 1.562 1.00 99.99 C ATOM 0 H ILE A 33 2.594 7.590 2.779 1.00 99.99 H new ATOM 0 HA ILE A 33 2.932 8.384 0.148 1.00 99.99 H new ATOM 0 HB ILE A 33 3.637 5.899 1.702 1.00 99.99 H new ATOM 0 HG12 ILE A 33 5.361 7.831 0.076 1.00 99.99 H new ATOM 0 HG13 ILE A 33 4.872 8.195 1.719 1.00 99.99 H new ATOM 0 HG21 ILE A 33 4.801 4.936 -0.223 1.00 99.99 H new ATOM 0 HG22 ILE A 33 3.039 4.993 -0.473 1.00 99.99 H new ATOM 0 HG23 ILE A 33 4.091 6.180 -1.279 1.00 99.99 H new ATOM 0 HD11 ILE A 33 7.148 7.266 1.667 1.00 99.99 H new ATOM 0 HD12 ILE A 33 6.049 6.165 2.533 1.00 99.99 H new ATOM 0 HD13 ILE A 33 6.546 5.796 0.865 1.00 99.99 H new ATOM 168 N GLY A 34 0.898 5.855 0.638 1.00 99.99 N ATOM 169 CA GLY A 34 -0.151 5.020 0.060 1.00 99.99 C ATOM 170 C GLY A 34 -1.317 5.897 -0.362 1.00 99.99 C ATOM 171 O GLY A 34 -1.917 5.627 -1.372 1.00 99.99 O ATOM 0 H GLY A 34 1.071 5.681 1.628 1.00 99.99 H new ATOM 0 HA2 GLY A 34 0.236 4.473 -0.799 1.00 99.99 H new ATOM 0 HA3 GLY A 34 -0.483 4.279 0.787 1.00 99.99 H new ATOM 175 N ILE A 35 -1.281 7.166 0.012 1.00 99.99 N ATOM 176 CA ILE A 35 -2.326 8.040 -0.514 1.00 99.99 C ATOM 177 C ILE A 35 -1.812 8.751 -1.755 1.00 99.99 C ATOM 178 O ILE A 35 -2.518 8.809 -2.730 1.00 99.99 O ATOM 179 CB ILE A 35 -2.740 9.138 0.475 1.00 99.99 C ATOM 180 CG1 ILE A 35 -3.270 8.509 1.788 1.00 99.99 C ATOM 181 CG2 ILE A 35 -3.817 10.039 -0.165 1.00 99.99 C ATOM 182 CD1 ILE A 35 -3.417 9.488 2.957 1.00 99.99 C ATOM 0 H ILE A 35 -0.594 7.595 0.632 1.00 99.99 H new ATOM 0 HA ILE A 35 -3.184 7.400 -0.720 1.00 99.99 H new ATOM 0 HB ILE A 35 -1.868 9.747 0.715 1.00 99.99 H new ATOM 0 HG12 ILE A 35 -4.240 8.053 1.590 1.00 99.99 H new ATOM 0 HG13 ILE A 35 -2.596 7.706 2.087 1.00 99.99 H new ATOM 0 HG21 ILE A 35 -4.107 10.817 0.541 1.00 99.99 H new ATOM 0 HG22 ILE A 35 -3.416 10.500 -1.068 1.00 99.99 H new ATOM 0 HG23 ILE A 35 -4.689 9.438 -0.421 1.00 99.99 H new ATOM 0 HD11 ILE A 35 -3.794 8.957 3.831 1.00 99.99 H new ATOM 0 HD12 ILE A 35 -2.446 9.926 3.189 1.00 99.99 H new ATOM 0 HD13 ILE A 35 -4.116 10.279 2.684 1.00 99.99 H new ATOM 194 N LEU A 36 -0.655 9.247 -1.683 1.00 99.99 N ATOM 195 CA LEU A 36 -0.049 9.981 -2.789 1.00 99.99 C ATOM 196 C LEU A 36 0.057 9.066 -4.000 1.00 99.99 C ATOM 197 O LEU A 36 -0.244 9.494 -5.085 1.00 99.99 O ATOM 198 CB LEU A 36 1.376 10.457 -2.480 1.00 99.99 C ATOM 199 CG LEU A 36 2.122 11.124 -3.655 1.00 99.99 C ATOM 200 CD1 LEU A 36 1.417 12.413 -4.099 1.00 99.99 C ATOM 201 CD2 LEU A 36 3.587 11.400 -3.291 1.00 99.99 C ATOM 0 H LEU A 36 -0.061 9.175 -0.857 1.00 99.99 H new ATOM 0 HA LEU A 36 -0.686 10.848 -2.967 1.00 99.99 H new ATOM 0 HB2 LEU A 36 1.333 11.164 -1.651 1.00 99.99 H new ATOM 0 HB3 LEU A 36 1.960 9.602 -2.140 1.00 99.99 H new ATOM 0 HG LEU A 36 2.108 10.429 -4.494 1.00 99.99 H new ATOM 0 HD11 LEU A 36 1.965 12.861 -4.928 1.00 99.99 H new ATOM 0 HD12 LEU A 36 0.401 12.180 -4.419 1.00 99.99 H new ATOM 0 HD13 LEU A 36 1.383 13.115 -3.266 1.00 99.99 H new ATOM 0 HD21 LEU A 36 4.090 11.870 -4.136 1.00 99.99 H new ATOM 0 HD22 LEU A 36 3.629 12.065 -2.428 1.00 99.99 H new ATOM 0 HD23 LEU A 36 4.085 10.461 -3.049 1.00 99.99 H new ATOM 213 N HIS A 37 0.506 7.803 -3.815 1.00 99.99 N ATOM 214 CA HIS A 37 0.708 6.835 -4.866 1.00 99.99 C ATOM 215 C HIS A 37 -0.596 6.537 -5.555 1.00 99.99 C ATOM 216 O HIS A 37 -0.618 6.190 -6.734 1.00 99.99 O ATOM 217 CB HIS A 37 1.296 5.516 -4.310 1.00 99.99 C ATOM 218 CG HIS A 37 1.710 4.528 -5.370 1.00 99.99 C ATOM 219 ND1 HIS A 37 1.937 3.206 -5.094 1.00 99.99 N ATOM 220 CD2 HIS A 37 1.981 4.712 -6.684 1.00 99.99 C ATOM 221 CE1 HIS A 37 2.323 2.607 -6.213 1.00 99.99 C ATOM 222 NE2 HIS A 37 2.357 3.499 -7.192 1.00 99.99 N ATOM 0 H HIS A 37 0.739 7.439 -2.891 1.00 99.99 H new ATOM 0 HA HIS A 37 1.415 7.263 -5.576 1.00 99.99 H new ATOM 0 HB2 HIS A 37 2.161 5.750 -3.690 1.00 99.99 H new ATOM 0 HB3 HIS A 37 0.556 5.047 -3.661 1.00 99.99 H new ATOM 0 HD2 HIS A 37 1.913 5.642 -7.229 1.00 99.99 H new ATOM 0 HE1 HIS A 37 2.570 1.560 -6.310 1.00 99.99 H new ATOM 0 HE2 HIS A 37 2.619 3.313 -8.160 1.00 99.99 H new ATOM 230 N LEU A 38 -1.722 6.713 -4.822 1.00 99.99 N ATOM 231 CA LEU A 38 -3.061 6.482 -5.349 1.00 99.99 C ATOM 232 C LEU A 38 -3.421 7.598 -6.319 1.00 99.99 C ATOM 233 O LEU A 38 -3.943 7.318 -7.367 1.00 99.99 O ATOM 234 CB LEU A 38 -4.144 6.490 -4.260 1.00 99.99 C ATOM 235 CG LEU A 38 -5.574 6.270 -4.810 1.00 99.99 C ATOM 236 CD1 LEU A 38 -5.700 4.931 -5.549 1.00 99.99 C ATOM 237 CD2 LEU A 38 -6.635 6.377 -3.715 1.00 99.99 C ATOM 0 H LEU A 38 -1.712 7.020 -3.849 1.00 99.99 H new ATOM 0 HA LEU A 38 -3.036 5.501 -5.823 1.00 99.99 H new ATOM 0 HB2 LEU A 38 -3.920 5.712 -3.530 1.00 99.99 H new ATOM 0 HB3 LEU A 38 -4.109 7.442 -3.731 1.00 99.99 H new ATOM 0 HG LEU A 38 -5.753 7.072 -5.526 1.00 99.99 H new ATOM 0 HD11 LEU A 38 -6.718 4.814 -5.920 1.00 99.99 H new ATOM 0 HD12 LEU A 38 -5.004 4.911 -6.388 1.00 99.99 H new ATOM 0 HD13 LEU A 38 -5.467 4.115 -4.865 1.00 99.99 H new ATOM 0 HD21 LEU A 38 -7.622 6.216 -4.148 1.00 99.99 H new ATOM 0 HD22 LEU A 38 -6.446 5.623 -2.951 1.00 99.99 H new ATOM 0 HD23 LEU A 38 -6.594 7.369 -3.264 1.00 99.99 H new ATOM 249 N ILE A 39 -3.146 8.772 -5.953 1.00 99.99 N ATOM 250 CA ILE A 39 -3.460 9.939 -6.770 1.00 99.99 C ATOM 251 C ILE A 39 -2.665 9.871 -8.065 1.00 99.99 C ATOM 252 O ILE A 39 -3.215 10.140 -9.105 1.00 99.99 O ATOM 253 CB ILE A 39 -3.075 11.263 -6.095 1.00 99.99 C ATOM 254 CG1 ILE A 39 -3.970 11.501 -4.859 1.00 99.99 C ATOM 255 CG2 ILE A 39 -3.210 12.432 -7.094 1.00 99.99 C ATOM 256 CD1 ILE A 39 -3.545 12.707 -4.010 1.00 99.99 C ATOM 0 H ILE A 39 -2.689 8.994 -5.069 1.00 99.99 H new ATOM 0 HA ILE A 39 -4.538 9.920 -6.932 1.00 99.99 H new ATOM 0 HB ILE A 39 -2.036 11.208 -5.771 1.00 99.99 H new ATOM 0 HG12 ILE A 39 -4.999 11.645 -5.189 1.00 99.99 H new ATOM 0 HG13 ILE A 39 -3.958 10.607 -4.235 1.00 99.99 H new ATOM 0 HG21 ILE A 39 -2.934 13.365 -6.602 1.00 99.99 H new ATOM 0 HG22 ILE A 39 -2.550 12.261 -7.945 1.00 99.99 H new ATOM 0 HG23 ILE A 39 -4.241 12.496 -7.441 1.00 99.99 H new ATOM 0 HD11 ILE A 39 -4.220 12.810 -3.161 1.00 99.99 H new ATOM 0 HD12 ILE A 39 -2.528 12.557 -3.649 1.00 99.99 H new ATOM 0 HD13 ILE A 39 -3.585 13.611 -4.617 1.00 99.99 H new ATOM 268 N LEU A 40 -1.453 9.541 -7.968 1.00 99.99 N ATOM 269 CA LEU A 40 -0.568 9.461 -9.124 1.00 99.99 C ATOM 270 C LEU A 40 -1.084 8.396 -10.081 1.00 99.99 C ATOM 271 O LEU A 40 -1.112 8.635 -11.262 1.00 99.99 O ATOM 272 CB LEU A 40 0.864 9.053 -8.755 1.00 99.99 C ATOM 273 CG LEU A 40 1.684 10.118 -7.993 1.00 99.99 C ATOM 274 CD1 LEU A 40 3.051 9.529 -7.592 1.00 99.99 C ATOM 275 CD2 LEU A 40 1.887 11.398 -8.815 1.00 99.99 C ATOM 0 H LEU A 40 -1.002 9.307 -7.083 1.00 99.99 H new ATOM 0 HA LEU A 40 -0.554 10.457 -9.566 1.00 99.99 H new ATOM 0 HB2 LEU A 40 0.820 8.150 -8.147 1.00 99.99 H new ATOM 0 HB3 LEU A 40 1.397 8.796 -9.670 1.00 99.99 H new ATOM 0 HG LEU A 40 1.118 10.393 -7.103 1.00 99.99 H new ATOM 0 HD11 LEU A 40 3.628 10.282 -7.055 1.00 99.99 H new ATOM 0 HD12 LEU A 40 2.899 8.661 -6.950 1.00 99.99 H new ATOM 0 HD13 LEU A 40 3.594 9.227 -8.488 1.00 99.99 H new ATOM 0 HD21 LEU A 40 2.469 12.114 -8.235 1.00 99.99 H new ATOM 0 HD22 LEU A 40 2.419 11.159 -9.736 1.00 99.99 H new ATOM 0 HD23 LEU A 40 0.917 11.831 -9.059 1.00 99.99 H new ATOM 287 N TRP A 41 -1.453 7.305 -9.566 1.00 99.99 N ATOM 288 CA TRP A 41 -1.942 6.189 -10.366 1.00 99.99 C ATOM 289 C TRP A 41 -3.274 6.570 -10.995 1.00 99.99 C ATOM 290 O TRP A 41 -3.481 6.285 -12.148 1.00 99.99 O ATOM 291 CB TRP A 41 -2.200 4.925 -9.534 1.00 99.99 C ATOM 292 CG TRP A 41 -2.609 3.717 -10.358 1.00 99.99 C ATOM 293 CD1 TRP A 41 -1.796 2.915 -11.098 1.00 99.99 C ATOM 294 CD2 TRP A 41 -3.955 3.268 -10.591 1.00 99.99 C ATOM 295 NE1 TRP A 41 -2.528 1.941 -11.715 1.00 99.99 N ATOM 296 CE2 TRP A 41 -3.859 2.160 -11.454 1.00 99.99 C ATOM 297 CE3 TRP A 41 -5.189 3.726 -10.119 1.00 99.99 C ATOM 298 CZ2 TRP A 41 -4.996 1.473 -11.853 1.00 99.99 C ATOM 299 CZ3 TRP A 41 -6.331 3.037 -10.535 1.00 99.99 C ATOM 300 CH2 TRP A 41 -6.243 1.924 -11.389 1.00 99.99 C ATOM 0 H TRP A 41 -1.438 7.122 -8.563 1.00 99.99 H new ATOM 0 HA TRP A 41 -1.169 5.979 -11.105 1.00 99.99 H new ATOM 0 HB2 TRP A 41 -1.298 4.681 -8.973 1.00 99.99 H new ATOM 0 HB3 TRP A 41 -2.982 5.136 -8.804 1.00 99.99 H new ATOM 0 HD1 TRP A 41 -0.726 3.032 -11.185 1.00 99.99 H new ATOM 0 HE1 TRP A 41 -2.150 1.178 -12.276 1.00 99.99 H new ATOM 0 HE3 TRP A 41 -5.257 4.578 -9.459 1.00 99.99 H new ATOM 0 HZ2 TRP A 41 -4.925 0.614 -12.503 1.00 99.99 H new ATOM 0 HZ3 TRP A 41 -7.301 3.366 -10.193 1.00 99.99 H new ATOM 0 HH2 TRP A 41 -7.143 1.410 -11.692 1.00 99.99 H new ATOM 311 N ILE A 42 -4.101 7.165 -10.249 1.00 99.99 N ATOM 312 CA ILE A 42 -5.426 7.564 -10.713 1.00 99.99 C ATOM 313 C ILE A 42 -5.282 8.657 -11.761 1.00 99.99 C ATOM 314 O ILE A 42 -5.963 8.608 -12.755 1.00 99.99 O ATOM 315 CB ILE A 42 -6.298 8.148 -9.596 1.00 99.99 C ATOM 316 CG1 ILE A 42 -6.728 7.031 -8.617 1.00 99.99 C ATOM 317 CG2 ILE A 42 -7.542 8.853 -10.181 1.00 99.99 C ATOM 318 CD1 ILE A 42 -7.528 7.543 -7.409 1.00 99.99 C ATOM 0 H ILE A 42 -3.910 7.410 -9.277 1.00 99.99 H new ATOM 0 HA ILE A 42 -5.899 6.663 -11.103 1.00 99.99 H new ATOM 0 HB ILE A 42 -5.710 8.888 -9.054 1.00 99.99 H new ATOM 0 HG12 ILE A 42 -7.329 6.299 -9.156 1.00 99.99 H new ATOM 0 HG13 ILE A 42 -5.839 6.512 -8.259 1.00 99.99 H new ATOM 0 HG21 ILE A 42 -8.145 9.259 -9.369 1.00 99.99 H new ATOM 0 HG22 ILE A 42 -7.226 9.663 -10.839 1.00 99.99 H new ATOM 0 HG23 ILE A 42 -8.134 8.135 -10.749 1.00 99.99 H new ATOM 0 HD11 ILE A 42 -7.795 6.703 -6.767 1.00 99.99 H new ATOM 0 HD12 ILE A 42 -6.922 8.252 -6.846 1.00 99.99 H new ATOM 0 HD13 ILE A 42 -8.436 8.037 -7.756 1.00 99.99 H new ATOM 330 N LEU A 43 -4.447 9.570 -11.515 1.00 99.99 N ATOM 331 CA LEU A 43 -4.229 10.692 -12.421 1.00 99.99 C ATOM 332 C LEU A 43 -3.653 10.176 -13.732 1.00 99.99 C ATOM 333 O LEU A 43 -3.983 10.703 -14.764 1.00 99.99 O ATOM 334 CB LEU A 43 -3.219 11.710 -11.876 1.00 99.99 C ATOM 335 CG LEU A 43 -3.723 12.520 -10.658 1.00 99.99 C ATOM 336 CD1 LEU A 43 -2.562 13.308 -10.025 1.00 99.99 C ATOM 337 CD2 LEU A 43 -4.864 13.478 -11.036 1.00 99.99 C ATOM 0 H LEU A 43 -3.868 9.594 -10.676 1.00 99.99 H new ATOM 0 HA LEU A 43 -5.197 11.177 -12.547 1.00 99.99 H new ATOM 0 HB2 LEU A 43 -2.307 11.184 -11.595 1.00 99.99 H new ATOM 0 HB3 LEU A 43 -2.954 12.404 -12.674 1.00 99.99 H new ATOM 0 HG LEU A 43 -4.116 11.807 -9.933 1.00 99.99 H new ATOM 0 HD11 LEU A 43 -2.930 13.874 -9.169 1.00 99.99 H new ATOM 0 HD12 LEU A 43 -1.788 12.614 -9.696 1.00 99.99 H new ATOM 0 HD13 LEU A 43 -2.144 13.995 -10.761 1.00 99.99 H new ATOM 0 HD21 LEU A 43 -5.187 14.026 -10.151 1.00 99.99 H new ATOM 0 HD22 LEU A 43 -4.513 14.182 -11.791 1.00 99.99 H new ATOM 0 HD23 LEU A 43 -5.702 12.906 -11.435 1.00 99.99 H new ATOM 349 N ASP A 44 -2.840 9.215 -13.652 1.00 99.99 N ATOM 350 CA ASP A 44 -2.193 8.641 -14.823 1.00 99.99 C ATOM 351 C ASP A 44 -3.242 7.972 -15.702 1.00 99.99 C ATOM 352 O ASP A 44 -3.166 8.091 -16.899 1.00 99.99 O ATOM 353 CB ASP A 44 -1.169 7.553 -14.470 1.00 99.99 C ATOM 354 CG ASP A 44 -0.428 7.016 -15.710 1.00 99.99 C ATOM 355 OD1 ASP A 44 0.343 7.792 -16.325 1.00 99.99 O ATOM 356 OD2 ASP A 44 -0.577 5.803 -16.043 1.00 99.99 O ATOM 0 H ASP A 44 -2.576 8.771 -12.772 1.00 99.99 H new ATOM 0 HA ASP A 44 -1.684 9.465 -15.323 1.00 99.99 H new ATOM 0 HB2 ASP A 44 -0.444 7.957 -13.764 1.00 99.99 H new ATOM 0 HB3 ASP A 44 -1.677 6.729 -13.969 1.00 99.99 H new ATOM 361 N ARG A 45 -4.140 7.316 -15.108 1.00 99.99 N ATOM 362 CA ARG A 45 -5.194 6.606 -15.824 1.00 99.99 C ATOM 363 C ARG A 45 -6.053 7.607 -16.582 1.00 99.99 C ATOM 364 O ARG A 45 -6.388 7.354 -17.711 1.00 99.99 O ATOM 365 CB ARG A 45 -6.142 5.844 -14.890 1.00 99.99 C ATOM 366 CG ARG A 45 -5.463 4.690 -14.122 1.00 99.99 C ATOM 367 CD ARG A 45 -5.200 3.456 -14.996 1.00 99.99 C ATOM 368 NE ARG A 45 -3.804 3.552 -15.554 1.00 99.99 N ATOM 369 CZ ARG A 45 -3.447 2.877 -16.663 1.00 99.99 C ATOM 370 NH1 ARG A 45 -4.311 2.071 -17.305 1.00 99.99 N ATOM 371 NH2 ARG A 45 -2.184 2.998 -17.104 1.00 99.99 N ATOM 0 H ARG A 45 -4.198 7.232 -14.093 1.00 99.99 H new ATOM 0 HA ARG A 45 -4.691 5.898 -16.482 1.00 99.99 H new ATOM 0 HB2 ARG A 45 -6.570 6.544 -14.172 1.00 99.99 H new ATOM 0 HB3 ARG A 45 -6.969 5.442 -15.475 1.00 99.99 H new ATOM 0 HG2 ARG A 45 -4.518 5.043 -13.709 1.00 99.99 H new ATOM 0 HG3 ARG A 45 -6.092 4.403 -13.279 1.00 99.99 H new ATOM 0 HD2 ARG A 45 -5.311 2.545 -14.408 1.00 99.99 H new ATOM 0 HD3 ARG A 45 -5.928 3.403 -15.805 1.00 99.99 H new ATOM 0 HE ARG A 45 -3.116 4.140 -15.083 1.00 99.99 H new ATOM 0 HH11 ARG A 45 -5.262 1.960 -16.954 1.00 99.99 H new ATOM 0 HH12 ARG A 45 -4.015 1.571 -18.143 1.00 99.99 H new ATOM 0 HH21 ARG A 45 -1.523 3.590 -16.601 1.00 99.99 H new ATOM 0 HH22 ARG A 45 -1.886 2.498 -17.942 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 10.358 -17.700 1.00 99.99 C ATOM 388 O LEU A 46 -5.455 11.041 -17.485 1.00 99.99 O ATOM 389 CB LEU A 46 -7.574 10.810 -15.573 1.00 99.99 C ATOM 390 CG LEU A 46 -8.348 10.406 -14.294 1.00 99.99 C ATOM 391 CD1 LEU A 46 -8.391 11.621 -13.347 1.00 99.99 C ATOM 392 CD2 LEU A 46 -9.768 9.904 -14.576 1.00 99.99 C ATOM 0 H LEU A 46 -6.068 8.867 -15.011 1.00 99.99 H new ATOM 0 HA LEU A 46 -8.120 9.193 -16.888 1.00 99.99 H new ATOM 0 HB2 LEU A 46 -6.652 11.304 -15.267 1.00 99.99 H new ATOM 0 HB3 LEU A 46 -8.170 11.550 -16.108 1.00 99.99 H new ATOM 0 HG LEU A 46 -7.821 9.569 -13.836 1.00 99.99 H new ATOM 0 HD11 LEU A 46 -8.933 11.356 -12.439 1.00 99.99 H new ATOM 0 HD12 LEU A 46 -7.374 11.918 -13.089 1.00 99.99 H new ATOM 0 HD13 LEU A 46 -8.896 12.450 -13.842 1.00 99.99 H new ATOM 0 HD21 LEU A 46 -10.253 9.638 -13.637 1.00 99.99 H new ATOM 0 HD22 LEU A 46 -10.340 10.689 -15.070 1.00 99.99 H new ATOM 0 HD23 LEU A 46 -9.722 9.027 -15.222 1.00 99.99 H new ATOM 405 N SER B 22 -10.412 0.605 18.986 1.00 99.99 N ATOM 406 CA SER B 22 -10.116 1.253 17.676 1.00 99.99 C ATOM 407 C SER B 22 -8.656 1.594 17.532 1.00 99.99 C ATOM 408 O SER B 22 -7.871 1.458 18.471 1.00 99.99 O ATOM 409 CB SER B 22 -11.011 2.513 17.450 1.00 99.99 C ATOM 410 OG SER B 22 -10.783 3.544 18.409 1.00 99.99 O ATOM 0 HA SER B 22 -10.356 0.526 16.901 1.00 99.99 H new ATOM 0 HB2 SER B 22 -10.826 2.908 16.451 1.00 99.99 H new ATOM 0 HB3 SER B 22 -12.059 2.217 17.487 1.00 99.99 H new ATOM 0 HG SER B 22 -11.369 4.306 18.216 1.00 99.99 H new ATOM 415 N SER B 23 -8.270 2.057 16.319 1.00 99.99 N ATOM 416 CA SER B 23 -6.940 2.533 16.024 1.00 99.99 C ATOM 417 C SER B 23 -7.110 3.960 15.566 1.00 99.99 C ATOM 418 O SER B 23 -8.170 4.555 15.758 1.00 99.99 O ATOM 419 CB SER B 23 -6.226 1.683 14.945 1.00 99.99 C ATOM 420 OG SER B 23 -6.049 0.350 15.407 1.00 99.99 O ATOM 0 H SER B 23 -8.901 2.102 15.519 1.00 99.99 H new ATOM 0 HA SER B 23 -6.305 2.459 16.907 1.00 99.99 H new ATOM 0 HB2 SER B 23 -6.812 1.682 14.026 1.00 99.99 H new ATOM 0 HB3 SER B 23 -5.258 2.124 14.706 1.00 99.99 H new ATOM 0 HG SER B 23 -5.598 -0.179 14.716 1.00 99.99 H new ATOM 426 N ASP B 24 -6.046 4.559 14.972 1.00 99.99 N ATOM 427 CA ASP B 24 -6.006 5.964 14.610 1.00 99.99 C ATOM 428 C ASP B 24 -6.569 6.119 13.214 1.00 99.99 C ATOM 429 O ASP B 24 -6.455 5.177 12.437 1.00 99.99 O ATOM 430 CB ASP B 24 -4.559 6.530 14.620 1.00 99.99 C ATOM 431 CG ASP B 24 -3.936 6.461 16.018 1.00 99.99 C ATOM 432 OD1 ASP B 24 -4.692 6.372 17.023 1.00 99.99 O ATOM 433 OD2 ASP B 24 -2.679 6.506 16.095 1.00 99.99 O ATOM 0 H ASP B 24 -5.190 4.057 14.736 1.00 99.99 H new ATOM 0 HA ASP B 24 -6.592 6.516 15.345 1.00 99.99 H new ATOM 0 HB2 ASP B 24 -3.943 5.968 13.918 1.00 99.99 H new ATOM 0 HB3 ASP B 24 -4.570 7.564 14.277 1.00 99.99 H new ATOM 438 N PRO B 25 -7.196 7.232 12.825 1.00 99.99 N ATOM 439 CA PRO B 25 -8.043 7.285 11.643 1.00 99.99 C ATOM 440 C PRO B 25 -7.255 7.297 10.353 1.00 99.99 C ATOM 441 O PRO B 25 -7.825 6.904 9.347 1.00 99.99 O ATOM 442 CB PRO B 25 -8.853 8.582 11.802 1.00 99.99 C ATOM 443 CG PRO B 25 -8.000 9.450 12.730 1.00 99.99 C ATOM 444 CD PRO B 25 -7.369 8.418 13.661 1.00 99.99 C ATOM 0 HA PRO B 25 -8.671 6.397 11.575 1.00 99.99 H new ATOM 0 HB2 PRO B 25 -9.016 9.069 10.841 1.00 99.99 H new ATOM 0 HB3 PRO B 25 -9.836 8.387 12.232 1.00 99.99 H new ATOM 0 HG2 PRO B 25 -7.247 10.014 12.179 1.00 99.99 H new ATOM 0 HG3 PRO B 25 -8.604 10.174 13.277 1.00 99.99 H new ATOM 0 HD2 PRO B 25 -6.415 8.769 14.055 1.00 99.99 H new ATOM 0 HD3 PRO B 25 -8.011 8.210 14.517 1.00 99.99 H new ATOM 452 N LEU B 26 -5.979 7.748 10.362 1.00 99.99 N ATOM 453 CA LEU B 26 -5.021 7.729 9.264 1.00 99.99 C ATOM 454 C LEU B 26 -4.599 6.294 8.987 1.00 99.99 C ATOM 455 O LEU B 26 -4.526 5.915 7.846 1.00 99.99 O ATOM 456 CB LEU B 26 -3.735 8.505 9.578 1.00 99.99 C ATOM 457 CG LEU B 26 -2.579 8.355 8.563 1.00 99.99 C ATOM 458 CD1 LEU B 26 -2.927 8.918 7.183 1.00 99.99 C ATOM 459 CD2 LEU B 26 -1.304 9.012 9.109 1.00 99.99 C ATOM 0 H LEU B 26 -5.577 8.162 11.203 1.00 99.99 H new ATOM 0 HA LEU B 26 -5.522 8.194 8.415 1.00 99.99 H new ATOM 0 HB2 LEU B 26 -3.985 9.563 9.658 1.00 99.99 H new ATOM 0 HB3 LEU B 26 -3.374 8.188 10.556 1.00 99.99 H new ATOM 0 HG LEU B 26 -2.406 7.287 8.431 1.00 99.99 H new ATOM 0 HD11 LEU B 26 -2.079 8.785 6.511 1.00 99.99 H new ATOM 0 HD12 LEU B 26 -3.793 8.390 6.783 1.00 99.99 H new ATOM 0 HD13 LEU B 26 -3.158 9.980 7.271 1.00 99.99 H new ATOM 0 HD21 LEU B 26 -0.498 8.899 8.384 1.00 99.99 H new ATOM 0 HD22 LEU B 26 -1.488 10.072 9.285 1.00 99.99 H new ATOM 0 HD23 LEU B 26 -1.020 8.532 10.046 1.00 99.99 H new ATOM 471 N VAL B 27 -4.340 5.579 9.995 1.00 99.99 N ATOM 472 CA VAL B 27 -3.900 4.193 9.876 1.00 99.99 C ATOM 473 C VAL B 27 -5.050 3.343 9.358 1.00 99.99 C ATOM 474 O VAL B 27 -4.840 2.553 8.471 1.00 99.99 O ATOM 475 CB VAL B 27 -3.481 3.583 11.220 1.00 99.99 C ATOM 476 CG1 VAL B 27 -3.142 2.088 11.059 1.00 99.99 C ATOM 477 CG2 VAL B 27 -2.245 4.333 11.765 1.00 99.99 C ATOM 0 H VAL B 27 -4.417 5.910 10.957 1.00 99.99 H new ATOM 0 HA VAL B 27 -3.043 4.200 9.202 1.00 99.99 H new ATOM 0 HB VAL B 27 -4.312 3.680 11.919 1.00 99.99 H new ATOM 0 HG11 VAL B 27 -2.847 1.676 12.024 1.00 99.99 H new ATOM 0 HG12 VAL B 27 -4.017 1.554 10.688 1.00 99.99 H new ATOM 0 HG13 VAL B 27 -2.321 1.975 10.351 1.00 99.99 H new ATOM 0 HG21 VAL B 27 -1.948 3.899 12.720 1.00 99.99 H new ATOM 0 HG22 VAL B 27 -1.423 4.244 11.055 1.00 99.99 H new ATOM 0 HG23 VAL B 27 -2.491 5.386 11.906 1.00 99.99 H new ATOM 487 N VAL B 28 -6.173 3.517 9.906 1.00 99.99 N ATOM 488 CA VAL B 28 -7.355 2.751 9.527 1.00 99.99 C ATOM 489 C VAL B 28 -7.801 3.171 8.135 1.00 99.99 C ATOM 490 O VAL B 28 -8.103 2.322 7.335 1.00 99.99 O ATOM 491 CB VAL B 28 -8.549 2.996 10.459 1.00 99.99 C ATOM 492 CG1 VAL B 28 -9.825 2.311 9.926 1.00 99.99 C ATOM 493 CG2 VAL B 28 -8.220 2.480 11.873 1.00 99.99 C ATOM 0 H VAL B 28 -6.339 4.198 10.647 1.00 99.99 H new ATOM 0 HA VAL B 28 -7.070 1.700 9.580 1.00 99.99 H new ATOM 0 HB VAL B 28 -8.737 4.069 10.499 1.00 99.99 H new ATOM 0 HG11 VAL B 28 -10.653 2.503 10.608 1.00 99.99 H new ATOM 0 HG12 VAL B 28 -10.067 2.709 8.940 1.00 99.99 H new ATOM 0 HG13 VAL B 28 -9.657 1.236 9.852 1.00 99.99 H new ATOM 0 HG21 VAL B 28 -9.071 2.656 12.532 1.00 99.99 H new ATOM 0 HG22 VAL B 28 -8.009 1.411 11.830 1.00 99.99 H new ATOM 0 HG23 VAL B 28 -7.347 3.007 12.259 1.00 99.99 H new ATOM 503 N ALA B 29 -7.834 4.410 7.904 1.00 99.99 N ATOM 504 CA ALA B 29 -8.269 4.955 6.621 1.00 99.99 C ATOM 505 C ALA B 29 -7.339 4.456 5.524 1.00 99.99 C ATOM 506 O ALA B 29 -7.814 4.111 4.469 1.00 99.99 O ATOM 507 CB ALA B 29 -8.211 6.487 6.572 1.00 99.99 C ATOM 0 H ALA B 29 -7.563 5.118 8.586 1.00 99.99 H new ATOM 0 HA ALA B 29 -9.300 4.631 6.484 1.00 99.99 H new ATOM 0 HB1 ALA B 29 -8.546 6.833 5.594 1.00 99.99 H new ATOM 0 HB2 ALA B 29 -8.859 6.901 7.345 1.00 99.99 H new ATOM 0 HB3 ALA B 29 -7.187 6.818 6.742 1.00 99.99 H new ATOM 513 N ALA B 30 -6.106 4.442 5.790 1.00 99.99 N ATOM 514 CA ALA B 30 -5.104 4.012 4.822 1.00 99.99 C ATOM 515 C ALA B 30 -5.312 2.541 4.499 1.00 99.99 C ATOM 516 O ALA B 30 -5.115 2.156 3.372 1.00 99.99 O ATOM 517 CB ALA B 30 -3.670 4.138 5.354 1.00 99.99 C ATOM 0 H ALA B 30 -5.720 4.726 6.690 1.00 99.99 H new ATOM 0 HA ALA B 30 -5.224 4.656 3.951 1.00 99.99 H new ATOM 0 HB1 ALA B 30 -2.968 3.804 4.590 1.00 99.99 H new ATOM 0 HB2 ALA B 30 -3.465 5.179 5.605 1.00 99.99 H new ATOM 0 HB3 ALA B 30 -3.557 3.521 6.246 1.00 99.99 H new ATOM 523 N SER B 31 -5.685 1.802 5.449 1.00 99.99 N ATOM 524 CA SER B 31 -5.899 0.368 5.287 1.00 99.99 C ATOM 525 C SER B 31 -6.990 0.137 4.252 1.00 99.99 C ATOM 526 O SER B 31 -6.819 -0.693 3.395 1.00 99.99 O ATOM 527 CB SER B 31 -6.370 -0.316 6.576 1.00 99.99 C ATOM 528 OG SER B 31 -5.354 -0.270 7.576 1.00 99.99 O ATOM 0 H SER B 31 -5.864 2.145 6.393 1.00 99.99 H new ATOM 0 HA SER B 31 -4.939 -0.053 4.990 1.00 99.99 H new ATOM 0 HB2 SER B 31 -7.271 0.174 6.944 1.00 99.99 H new ATOM 0 HB3 SER B 31 -6.634 -1.353 6.367 1.00 99.99 H new ATOM 0 HG SER B 31 -5.216 0.658 7.860 1.00 99.99 H new ATOM 534 N ILE B 32 -8.033 0.839 4.365 1.00 99.99 N ATOM 535 CA ILE B 32 -9.167 0.704 3.460 1.00 99.99 C ATOM 536 C ILE B 32 -8.746 1.113 2.056 1.00 99.99 C ATOM 537 O ILE B 32 -9.175 0.500 1.114 1.00 99.99 O ATOM 538 CB ILE B 32 -10.346 1.611 3.840 1.00 99.99 C ATOM 539 CG1 ILE B 32 -10.937 1.175 5.199 1.00 99.99 C ATOM 540 CG2 ILE B 32 -11.440 1.577 2.752 1.00 99.99 C ATOM 541 CD1 ILE B 32 -11.869 2.228 5.813 1.00 99.99 C ATOM 0 H ILE B 32 -8.161 1.546 5.089 1.00 99.99 H new ATOM 0 HA ILE B 32 -9.481 -0.338 3.519 1.00 99.99 H new ATOM 0 HB ILE B 32 -9.977 2.633 3.923 1.00 99.99 H new ATOM 0 HG12 ILE B 32 -11.487 0.243 5.068 1.00 99.99 H new ATOM 0 HG13 ILE B 32 -10.123 0.969 5.894 1.00 99.99 H new ATOM 0 HG21 ILE B 32 -12.264 2.227 3.044 1.00 99.99 H new ATOM 0 HG22 ILE B 32 -11.023 1.923 1.806 1.00 99.99 H new ATOM 0 HG23 ILE B 32 -11.806 0.557 2.636 1.00 99.99 H new ATOM 0 HD11 ILE B 32 -12.252 1.863 6.766 1.00 99.99 H new ATOM 0 HD12 ILE B 32 -11.316 3.153 5.974 1.00 99.99 H new ATOM 0 HD13 ILE B 32 -12.702 2.416 5.135 1.00 99.99 H new ATOM 553 N ILE B 33 -7.958 2.094 1.970 1.00 99.99 N ATOM 554 CA ILE B 33 -7.493 2.613 0.688 1.00 99.99 C ATOM 555 C ILE B 33 -6.713 1.527 -0.041 1.00 99.99 C ATOM 556 O ILE B 33 -6.944 1.322 -1.205 1.00 99.99 O ATOM 557 CB ILE B 33 -6.537 3.804 0.834 1.00 99.99 C ATOM 558 CG1 ILE B 33 -7.379 5.090 1.030 1.00 99.99 C ATOM 559 CG2 ILE B 33 -5.593 3.944 -0.373 1.00 99.99 C ATOM 560 CD1 ILE B 33 -6.595 6.295 1.562 1.00 99.99 C ATOM 0 H ILE B 33 -7.590 2.594 2.779 1.00 99.99 H new ATOM 0 HA ILE B 33 -8.384 2.932 0.148 1.00 99.99 H new ATOM 0 HB ILE B 33 -5.899 3.637 1.702 1.00 99.99 H new ATOM 0 HG12 ILE B 33 -7.831 5.361 0.076 1.00 99.99 H new ATOM 0 HG13 ILE B 33 -8.195 4.872 1.719 1.00 99.99 H new ATOM 0 HG21 ILE B 33 -4.936 4.801 -0.223 1.00 99.99 H new ATOM 0 HG22 ILE B 33 -4.993 3.039 -0.473 1.00 99.99 H new ATOM 0 HG23 ILE B 33 -6.180 4.091 -1.279 1.00 99.99 H new ATOM 0 HD11 ILE B 33 -7.266 7.148 1.667 1.00 99.99 H new ATOM 0 HD12 ILE B 33 -6.165 6.049 2.533 1.00 99.99 H new ATOM 0 HD13 ILE B 33 -5.796 6.546 0.865 1.00 99.99 H new ATOM 572 N GLY B 34 -5.855 0.898 0.638 1.00 99.99 N ATOM 573 CA GLY B 34 -5.020 -0.151 0.060 1.00 99.99 C ATOM 574 C GLY B 34 -5.897 -1.317 -0.362 1.00 99.99 C ATOM 575 O GLY B 34 -5.627 -1.917 -1.372 1.00 99.99 O ATOM 0 H GLY B 34 -5.681 1.071 1.628 1.00 99.99 H new ATOM 0 HA2 GLY B 34 -4.473 0.236 -0.799 1.00 99.99 H new ATOM 0 HA3 GLY B 34 -4.279 -0.483 0.787 1.00 99.99 H new ATOM 579 N ILE B 35 -7.166 -1.281 0.012 1.00 99.99 N ATOM 580 CA ILE B 35 -8.040 -2.326 -0.514 1.00 99.99 C ATOM 581 C ILE B 35 -8.751 -1.812 -1.755 1.00 99.99 C ATOM 582 O ILE B 35 -8.809 -2.518 -2.730 1.00 99.99 O ATOM 583 CB ILE B 35 -9.138 -2.740 0.475 1.00 99.99 C ATOM 584 CG1 ILE B 35 -8.509 -3.270 1.788 1.00 99.99 C ATOM 585 CG2 ILE B 35 -10.039 -3.817 -0.165 1.00 99.99 C ATOM 586 CD1 ILE B 35 -9.488 -3.417 2.957 1.00 99.99 C ATOM 0 H ILE B 35 -7.595 -0.594 0.632 1.00 99.99 H new ATOM 0 HA ILE B 35 -7.400 -3.184 -0.720 1.00 99.99 H new ATOM 0 HB ILE B 35 -9.747 -1.868 0.715 1.00 99.99 H new ATOM 0 HG12 ILE B 35 -8.053 -4.240 1.590 1.00 99.99 H new ATOM 0 HG13 ILE B 35 -7.706 -2.596 2.087 1.00 99.99 H new ATOM 0 HG21 ILE B 35 -10.817 -4.107 0.541 1.00 99.99 H new ATOM 0 HG22 ILE B 35 -10.500 -3.416 -1.068 1.00 99.99 H new ATOM 0 HG23 ILE B 35 -9.438 -4.689 -0.421 1.00 99.99 H new ATOM 0 HD11 ILE B 35 -8.957 -3.794 3.831 1.00 99.99 H new ATOM 0 HD12 ILE B 35 -9.926 -2.446 3.189 1.00 99.99 H new ATOM 0 HD13 ILE B 35 -10.279 -4.116 2.684 1.00 99.99 H new ATOM 598 N LEU B 36 -9.247 -0.655 -1.683 1.00 99.99 N ATOM 599 CA LEU B 36 -9.981 -0.049 -2.789 1.00 99.99 C ATOM 600 C LEU B 36 -9.066 0.057 -4.000 1.00 99.99 C ATOM 601 O LEU B 36 -9.494 -0.244 -5.085 1.00 99.99 O ATOM 602 CB LEU B 36 -10.457 1.376 -2.480 1.00 99.99 C ATOM 603 CG LEU B 36 -11.124 2.122 -3.655 1.00 99.99 C ATOM 604 CD1 LEU B 36 -12.413 1.417 -4.099 1.00 99.99 C ATOM 605 CD2 LEU B 36 -11.400 3.587 -3.291 1.00 99.99 C ATOM 0 H LEU B 36 -9.175 -0.061 -0.857 1.00 99.99 H new ATOM 0 HA LEU B 36 -10.848 -0.686 -2.967 1.00 99.99 H new ATOM 0 HB2 LEU B 36 -11.164 1.333 -1.651 1.00 99.99 H new ATOM 0 HB3 LEU B 36 -9.602 1.960 -2.140 1.00 99.99 H new ATOM 0 HG LEU B 36 -10.429 2.108 -4.494 1.00 99.99 H new ATOM 0 HD11 LEU B 36 -12.861 1.965 -4.928 1.00 99.99 H new ATOM 0 HD12 LEU B 36 -12.180 0.401 -4.419 1.00 99.99 H new ATOM 0 HD13 LEU B 36 -13.115 1.383 -3.266 1.00 99.99 H new ATOM 0 HD21 LEU B 36 -11.870 4.090 -4.136 1.00 99.99 H new ATOM 0 HD22 LEU B 36 -12.065 3.629 -2.428 1.00 99.99 H new ATOM 0 HD23 LEU B 36 -10.461 4.085 -3.049 1.00 99.99 H new ATOM 617 N HIS B 37 -7.803 0.506 -3.815 1.00 99.99 N ATOM 618 CA HIS B 37 -6.835 0.708 -4.866 1.00 99.99 C ATOM 619 C HIS B 37 -6.537 -0.596 -5.555 1.00 99.99 C ATOM 620 O HIS B 37 -6.190 -0.618 -6.734 1.00 99.99 O ATOM 621 CB HIS B 37 -5.516 1.296 -4.310 1.00 99.99 C ATOM 622 CG HIS B 37 -4.528 1.710 -5.370 1.00 99.99 C ATOM 623 ND1 HIS B 37 -3.206 1.937 -5.094 1.00 99.99 N ATOM 624 CD2 HIS B 37 -4.712 1.981 -6.684 1.00 99.99 C ATOM 625 CE1 HIS B 37 -2.607 2.323 -6.213 1.00 99.99 C ATOM 626 NE2 HIS B 37 -3.499 2.357 -7.192 1.00 99.99 N ATOM 0 H HIS B 37 -7.439 0.739 -2.891 1.00 99.99 H new ATOM 0 HA HIS B 37 -7.263 1.415 -5.576 1.00 99.99 H new ATOM 0 HB2 HIS B 37 -5.750 2.161 -3.690 1.00 99.99 H new ATOM 0 HB3 HIS B 37 -5.047 0.556 -3.661 1.00 99.99 H new ATOM 0 HD2 HIS B 37 -5.642 1.913 -7.229 1.00 99.99 H new ATOM 0 HE1 HIS B 37 -1.560 2.570 -6.310 1.00 99.99 H new ATOM 0 HE2 HIS B 37 -3.313 2.619 -8.160 1.00 99.99 H new ATOM 634 N LEU B 38 -6.713 -1.722 -4.822 1.00 99.99 N ATOM 635 CA LEU B 38 -6.482 -3.061 -5.349 1.00 99.99 C ATOM 636 C LEU B 38 -7.598 -3.421 -6.319 1.00 99.99 C ATOM 637 O LEU B 38 -7.318 -3.943 -7.367 1.00 99.99 O ATOM 638 CB LEU B 38 -6.490 -4.144 -4.260 1.00 99.99 C ATOM 639 CG LEU B 38 -6.270 -5.574 -4.810 1.00 99.99 C ATOM 640 CD1 LEU B 38 -4.931 -5.700 -5.549 1.00 99.99 C ATOM 641 CD2 LEU B 38 -6.377 -6.635 -3.715 1.00 99.99 C ATOM 0 H LEU B 38 -7.020 -1.712 -3.849 1.00 99.99 H new ATOM 0 HA LEU B 38 -5.501 -3.036 -5.823 1.00 99.99 H new ATOM 0 HB2 LEU B 38 -5.712 -3.920 -3.530 1.00 99.99 H new ATOM 0 HB3 LEU B 38 -7.442 -4.109 -3.731 1.00 99.99 H new ATOM 0 HG LEU B 38 -7.072 -5.753 -5.526 1.00 99.99 H new ATOM 0 HD11 LEU B 38 -4.814 -6.718 -5.920 1.00 99.99 H new ATOM 0 HD12 LEU B 38 -4.911 -5.004 -6.388 1.00 99.99 H new ATOM 0 HD13 LEU B 38 -4.115 -5.467 -4.865 1.00 99.99 H new ATOM 0 HD21 LEU B 38 -6.216 -7.622 -4.148 1.00 99.99 H new ATOM 0 HD22 LEU B 38 -5.623 -6.446 -2.951 1.00 99.99 H new ATOM 0 HD23 LEU B 38 -7.369 -6.594 -3.264 1.00 99.99 H new ATOM 653 N ILE B 39 -8.772 -3.146 -5.953 1.00 99.99 N ATOM 654 CA ILE B 39 -9.939 -3.460 -6.770 1.00 99.99 C ATOM 655 C ILE B 39 -9.871 -2.665 -8.065 1.00 99.99 C ATOM 656 O ILE B 39 -10.140 -3.215 -9.105 1.00 99.99 O ATOM 657 CB ILE B 39 -11.263 -3.075 -6.095 1.00 99.99 C ATOM 658 CG1 ILE B 39 -11.501 -3.970 -4.859 1.00 99.99 C ATOM 659 CG2 ILE B 39 -12.432 -3.210 -7.094 1.00 99.99 C ATOM 660 CD1 ILE B 39 -12.707 -3.545 -4.010 1.00 99.99 C ATOM 0 H ILE B 39 -8.994 -2.689 -5.069 1.00 99.99 H new ATOM 0 HA ILE B 39 -9.920 -4.538 -6.932 1.00 99.99 H new ATOM 0 HB ILE B 39 -11.208 -2.036 -5.771 1.00 99.99 H new ATOM 0 HG12 ILE B 39 -11.645 -4.999 -5.189 1.00 99.99 H new ATOM 0 HG13 ILE B 39 -10.607 -3.958 -4.235 1.00 99.99 H new ATOM 0 HG21 ILE B 39 -13.365 -2.934 -6.602 1.00 99.99 H new ATOM 0 HG22 ILE B 39 -12.261 -2.550 -7.945 1.00 99.99 H new ATOM 0 HG23 ILE B 39 -12.496 -4.241 -7.441 1.00 99.99 H new ATOM 0 HD11 ILE B 39 -12.810 -4.220 -3.161 1.00 99.99 H new ATOM 0 HD12 ILE B 39 -12.557 -2.528 -3.649 1.00 99.99 H new ATOM 0 HD13 ILE B 39 -13.611 -3.585 -4.617 1.00 99.99 H new ATOM 672 N LEU B 40 -9.541 -1.453 -7.968 1.00 99.99 N ATOM 673 CA LEU B 40 -9.461 -0.568 -9.124 1.00 99.99 C ATOM 674 C LEU B 40 -8.396 -1.084 -10.081 1.00 99.99 C ATOM 675 O LEU B 40 -8.635 -1.112 -11.262 1.00 99.99 O ATOM 676 CB LEU B 40 -9.053 0.864 -8.755 1.00 99.99 C ATOM 677 CG LEU B 40 -10.118 1.684 -7.993 1.00 99.99 C ATOM 678 CD1 LEU B 40 -9.529 3.051 -7.592 1.00 99.99 C ATOM 679 CD2 LEU B 40 -11.398 1.887 -8.815 1.00 99.99 C ATOM 0 H LEU B 40 -9.307 -1.002 -7.083 1.00 99.99 H new ATOM 0 HA LEU B 40 -10.457 -0.554 -9.566 1.00 99.99 H new ATOM 0 HB2 LEU B 40 -8.150 0.820 -8.147 1.00 99.99 H new ATOM 0 HB3 LEU B 40 -8.796 1.397 -9.670 1.00 99.99 H new ATOM 0 HG LEU B 40 -10.393 1.118 -7.103 1.00 99.99 H new ATOM 0 HD11 LEU B 40 -10.282 3.628 -7.055 1.00 99.99 H new ATOM 0 HD12 LEU B 40 -8.661 2.899 -6.950 1.00 99.99 H new ATOM 0 HD13 LEU B 40 -9.227 3.594 -8.488 1.00 99.99 H new ATOM 0 HD21 LEU B 40 -12.114 2.469 -8.235 1.00 99.99 H new ATOM 0 HD22 LEU B 40 -11.159 2.419 -9.736 1.00 99.99 H new ATOM 0 HD23 LEU B 40 -11.831 0.917 -9.059 1.00 99.99 H new ATOM 691 N TRP B 41 -7.305 -1.453 -9.566 1.00 99.99 N ATOM 692 CA TRP B 41 -6.189 -1.942 -10.366 1.00 99.99 C ATOM 693 C TRP B 41 -6.570 -3.274 -10.995 1.00 99.99 C ATOM 694 O TRP B 41 -6.285 -3.481 -12.148 1.00 99.99 O ATOM 695 CB TRP B 41 -4.925 -2.200 -9.534 1.00 99.99 C ATOM 696 CG TRP B 41 -3.717 -2.609 -10.358 1.00 99.99 C ATOM 697 CD1 TRP B 41 -2.915 -1.796 -11.098 1.00 99.99 C ATOM 698 CD2 TRP B 41 -3.268 -3.955 -10.591 1.00 99.99 C ATOM 699 NE1 TRP B 41 -1.941 -2.528 -11.715 1.00 99.99 N ATOM 700 CE2 TRP B 41 -2.160 -3.859 -11.454 1.00 99.99 C ATOM 701 CE3 TRP B 41 -3.726 -5.189 -10.119 1.00 99.99 C ATOM 702 CZ2 TRP B 41 -1.473 -4.996 -11.853 1.00 99.99 C ATOM 703 CZ3 TRP B 41 -3.037 -6.331 -10.535 1.00 99.99 C ATOM 704 CH2 TRP B 41 -1.924 -6.243 -11.389 1.00 99.99 C ATOM 0 H TRP B 41 -7.122 -1.438 -8.563 1.00 99.99 H new ATOM 0 HA TRP B 41 -5.979 -1.169 -11.105 1.00 99.99 H new ATOM 0 HB2 TRP B 41 -4.681 -1.298 -8.973 1.00 99.99 H new ATOM 0 HB3 TRP B 41 -5.136 -2.982 -8.804 1.00 99.99 H new ATOM 0 HD1 TRP B 41 -3.032 -0.726 -11.185 1.00 99.99 H new ATOM 0 HE1 TRP B 41 -1.178 -2.150 -12.276 1.00 99.99 H new ATOM 0 HE3 TRP B 41 -4.578 -5.257 -9.459 1.00 99.99 H new ATOM 0 HZ2 TRP B 41 -0.614 -4.925 -12.503 1.00 99.99 H new ATOM 0 HZ3 TRP B 41 -3.366 -7.301 -10.193 1.00 99.99 H new ATOM 0 HH2 TRP B 41 -1.410 -7.143 -11.692 1.00 99.99 H new ATOM 715 N ILE B 42 -7.165 -4.101 -10.249 1.00 99.99 N ATOM 716 CA ILE B 42 -7.564 -5.426 -10.713 1.00 99.99 C ATOM 717 C ILE B 42 -8.657 -5.282 -11.761 1.00 99.99 C ATOM 718 O ILE B 42 -8.608 -5.963 -12.755 1.00 99.99 O ATOM 719 CB ILE B 42 -8.148 -6.298 -9.596 1.00 99.99 C ATOM 720 CG1 ILE B 42 -7.031 -6.728 -8.617 1.00 99.99 C ATOM 721 CG2 ILE B 42 -8.853 -7.542 -10.181 1.00 99.99 C ATOM 722 CD1 ILE B 42 -7.543 -7.528 -7.409 1.00 99.99 C ATOM 0 H ILE B 42 -7.410 -3.910 -9.277 1.00 99.99 H new ATOM 0 HA ILE B 42 -6.663 -5.899 -11.103 1.00 99.99 H new ATOM 0 HB ILE B 42 -8.888 -5.710 -9.054 1.00 99.99 H new ATOM 0 HG12 ILE B 42 -6.299 -7.329 -9.156 1.00 99.99 H new ATOM 0 HG13 ILE B 42 -6.512 -5.839 -8.259 1.00 99.99 H new ATOM 0 HG21 ILE B 42 -9.259 -8.145 -9.369 1.00 99.99 H new ATOM 0 HG22 ILE B 42 -9.663 -7.226 -10.839 1.00 99.99 H new ATOM 0 HG23 ILE B 42 -8.135 -8.134 -10.749 1.00 99.99 H new ATOM 0 HD11 ILE B 42 -6.703 -7.795 -6.767 1.00 99.99 H new ATOM 0 HD12 ILE B 42 -8.252 -6.922 -6.846 1.00 99.99 H new ATOM 0 HD13 ILE B 42 -8.037 -8.436 -7.756 1.00 99.99 H new ATOM 734 N LEU B 43 -9.570 -4.447 -11.515 1.00 99.99 N ATOM 735 CA LEU B 43 -10.692 -4.229 -12.421 1.00 99.99 C ATOM 736 C LEU B 43 -10.176 -3.653 -13.732 1.00 99.99 C ATOM 737 O LEU B 43 -10.703 -3.983 -14.764 1.00 99.99 O ATOM 738 CB LEU B 43 -11.710 -3.219 -11.876 1.00 99.99 C ATOM 739 CG LEU B 43 -12.520 -3.723 -10.658 1.00 99.99 C ATOM 740 CD1 LEU B 43 -13.308 -2.562 -10.025 1.00 99.99 C ATOM 741 CD2 LEU B 43 -13.478 -4.864 -11.036 1.00 99.99 C ATOM 0 H LEU B 43 -9.594 -3.868 -10.676 1.00 99.99 H new ATOM 0 HA LEU B 43 -11.177 -5.197 -12.547 1.00 99.99 H new ATOM 0 HB2 LEU B 43 -11.184 -2.307 -11.595 1.00 99.99 H new ATOM 0 HB3 LEU B 43 -12.404 -2.954 -12.674 1.00 99.99 H new ATOM 0 HG LEU B 43 -11.807 -4.116 -9.933 1.00 99.99 H new ATOM 0 HD11 LEU B 43 -13.874 -2.930 -9.169 1.00 99.99 H new ATOM 0 HD12 LEU B 43 -12.614 -1.788 -9.696 1.00 99.99 H new ATOM 0 HD13 LEU B 43 -13.995 -2.144 -10.761 1.00 99.99 H new ATOM 0 HD21 LEU B 43 -14.026 -5.187 -10.151 1.00 99.99 H new ATOM 0 HD22 LEU B 43 -14.182 -4.513 -11.791 1.00 99.99 H new ATOM 0 HD23 LEU B 43 -12.906 -5.702 -11.435 1.00 99.99 H new ATOM 753 N ASP B 44 -9.215 -2.840 -13.652 1.00 99.99 N ATOM 754 CA ASP B 44 -8.641 -2.193 -14.823 1.00 99.99 C ATOM 755 C ASP B 44 -7.972 -3.242 -15.702 1.00 99.99 C ATOM 756 O ASP B 44 -8.091 -3.166 -16.899 1.00 99.99 O ATOM 757 CB ASP B 44 -7.553 -1.169 -14.470 1.00 99.99 C ATOM 758 CG ASP B 44 -7.016 -0.428 -15.710 1.00 99.99 C ATOM 759 OD1 ASP B 44 -7.792 0.343 -16.325 1.00 99.99 O ATOM 760 OD2 ASP B 44 -5.803 -0.577 -16.043 1.00 99.99 O ATOM 0 H ASP B 44 -8.771 -2.576 -12.772 1.00 99.99 H new ATOM 0 HA ASP B 44 -9.465 -1.684 -15.323 1.00 99.99 H new ATOM 0 HB2 ASP B 44 -7.957 -0.444 -13.764 1.00 99.99 H new ATOM 0 HB3 ASP B 44 -6.729 -1.677 -13.969 1.00 99.99 H new ATOM 765 N ARG B 45 -7.316 -4.140 -15.108 1.00 99.99 N ATOM 766 CA ARG B 45 -6.606 -5.194 -15.824 1.00 99.99 C ATOM 767 C ARG B 45 -7.607 -6.053 -16.582 1.00 99.99 C ATOM 768 O ARG B 45 -7.354 -6.388 -17.711 1.00 99.99 O ATOM 769 CB ARG B 45 -5.844 -6.142 -14.890 1.00 99.99 C ATOM 770 CG ARG B 45 -4.690 -5.463 -14.122 1.00 99.99 C ATOM 771 CD ARG B 45 -3.456 -5.200 -14.996 1.00 99.99 C ATOM 772 NE ARG B 45 -3.552 -3.804 -15.554 1.00 99.99 N ATOM 773 CZ ARG B 45 -2.877 -3.447 -16.663 1.00 99.99 C ATOM 774 NH1 ARG B 45 -2.071 -4.311 -17.305 1.00 99.99 N ATOM 775 NH2 ARG B 45 -2.998 -2.184 -17.104 1.00 99.99 N ATOM 0 H ARG B 45 -7.232 -4.198 -14.093 1.00 99.99 H new ATOM 0 HA ARG B 45 -5.898 -4.691 -16.482 1.00 99.99 H new ATOM 0 HB2 ARG B 45 -6.544 -6.570 -14.172 1.00 99.99 H new ATOM 0 HB3 ARG B 45 -5.442 -6.969 -15.475 1.00 99.99 H new ATOM 0 HG2 ARG B 45 -5.043 -4.518 -13.709 1.00 99.99 H new ATOM 0 HG3 ARG B 45 -4.403 -6.092 -13.279 1.00 99.99 H new ATOM 0 HD2 ARG B 45 -2.545 -5.311 -14.408 1.00 99.99 H new ATOM 0 HD3 ARG B 45 -3.403 -5.928 -15.805 1.00 99.99 H new ATOM 0 HE ARG B 45 -4.140 -3.116 -15.083 1.00 99.99 H new ATOM 0 HH11 ARG B 45 -1.960 -5.262 -16.954 1.00 99.99 H new ATOM 0 HH12 ARG B 45 -1.571 -4.015 -18.143 1.00 99.99 H new ATOM 0 HH21 ARG B 45 -3.590 -1.523 -16.601 1.00 99.99 H new ATOM 0 HH22 ARG B 45 -2.498 -1.886 -17.942 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 -10.358 -6.455 -17.700 1.00 99.99 C ATOM 792 O LEU B 46 -11.041 -5.455 -17.485 1.00 99.99 O ATOM 793 CB LEU B 46 -10.810 -7.574 -15.573 1.00 99.99 C ATOM 794 CG LEU B 46 -10.406 -8.348 -14.294 1.00 99.99 C ATOM 795 CD1 LEU B 46 -11.621 -8.391 -13.347 1.00 99.99 C ATOM 796 CD2 LEU B 46 -9.904 -9.768 -14.576 1.00 99.99 C ATOM 0 H LEU B 46 -8.867 -6.068 -15.011 1.00 99.99 H new ATOM 0 HA LEU B 46 -9.193 -8.120 -16.888 1.00 99.99 H new ATOM 0 HB2 LEU B 46 -11.304 -6.652 -15.267 1.00 99.99 H new ATOM 0 HB3 LEU B 46 -11.550 -8.170 -16.108 1.00 99.99 H new ATOM 0 HG LEU B 46 -9.569 -7.821 -13.836 1.00 99.99 H new ATOM 0 HD11 LEU B 46 -11.356 -8.933 -12.439 1.00 99.99 H new ATOM 0 HD12 LEU B 46 -11.918 -7.374 -13.089 1.00 99.99 H new ATOM 0 HD13 LEU B 46 -12.450 -8.896 -13.842 1.00 99.99 H new ATOM 0 HD21 LEU B 46 -9.638 -10.253 -13.637 1.00 99.99 H new ATOM 0 HD22 LEU B 46 -10.689 -10.340 -15.070 1.00 99.99 H new ATOM 0 HD23 LEU B 46 -9.027 -9.722 -15.222 1.00 99.99 H new ATOM 809 N SER C 22 -0.605 -10.412 18.986 1.00 99.99 N ATOM 810 CA SER C 22 -1.253 -10.116 17.676 1.00 99.99 C ATOM 811 C SER C 22 -1.594 -8.656 17.532 1.00 99.99 C ATOM 812 O SER C 22 -1.458 -7.871 18.471 1.00 99.99 O ATOM 813 CB SER C 22 -2.513 -11.011 17.450 1.00 99.99 C ATOM 814 OG SER C 22 -3.544 -10.783 18.409 1.00 99.99 O ATOM 0 HA SER C 22 -0.526 -10.356 16.901 1.00 99.99 H new ATOM 0 HB2 SER C 22 -2.908 -10.826 16.451 1.00 99.99 H new ATOM 0 HB3 SER C 22 -2.217 -12.059 17.487 1.00 99.99 H new ATOM 0 HG SER C 22 -4.306 -11.369 18.216 1.00 99.99 H new ATOM 819 N SER C 23 -2.057 -8.270 16.319 1.00 99.99 N ATOM 820 CA SER C 23 -2.533 -6.940 16.024 1.00 99.99 C ATOM 821 C SER C 23 -3.960 -7.110 15.566 1.00 99.99 C ATOM 822 O SER C 23 -4.555 -8.170 15.758 1.00 99.99 O ATOM 823 CB SER C 23 -1.683 -6.226 14.945 1.00 99.99 C ATOM 824 OG SER C 23 -0.350 -6.049 15.407 1.00 99.99 O ATOM 0 H SER C 23 -2.102 -8.901 15.519 1.00 99.99 H new ATOM 0 HA SER C 23 -2.459 -6.305 16.907 1.00 99.99 H new ATOM 0 HB2 SER C 23 -1.682 -6.812 14.026 1.00 99.99 H new ATOM 0 HB3 SER C 23 -2.124 -5.258 14.706 1.00 99.99 H new ATOM 0 HG SER C 23 0.179 -5.598 14.716 1.00 99.99 H new ATOM 830 N ASP C 24 -4.559 -6.046 14.972 1.00 99.99 N ATOM 831 CA ASP C 24 -5.964 -6.006 14.610 1.00 99.99 C ATOM 832 C ASP C 24 -6.119 -6.569 13.214 1.00 99.99 C ATOM 833 O ASP C 24 -5.177 -6.455 12.437 1.00 99.99 O ATOM 834 CB ASP C 24 -6.530 -4.559 14.620 1.00 99.99 C ATOM 835 CG ASP C 24 -6.461 -3.936 16.018 1.00 99.99 C ATOM 836 OD1 ASP C 24 -6.372 -4.692 17.023 1.00 99.99 O ATOM 837 OD2 ASP C 24 -6.506 -2.679 16.095 1.00 99.99 O ATOM 0 H ASP C 24 -4.057 -5.190 14.736 1.00 99.99 H new ATOM 0 HA ASP C 24 -6.516 -6.592 15.345 1.00 99.99 H new ATOM 0 HB2 ASP C 24 -5.968 -3.943 13.918 1.00 99.99 H new ATOM 0 HB3 ASP C 24 -7.564 -4.570 14.277 1.00 99.99 H new ATOM 842 N PRO C 25 -7.232 -7.196 12.825 1.00 99.99 N ATOM 843 CA PRO C 25 -7.285 -8.043 11.643 1.00 99.99 C ATOM 844 C PRO C 25 -7.297 -7.255 10.353 1.00 99.99 C ATOM 845 O PRO C 25 -6.904 -7.825 9.347 1.00 99.99 O ATOM 846 CB PRO C 25 -8.582 -8.853 11.802 1.00 99.99 C ATOM 847 CG PRO C 25 -9.450 -8.000 12.730 1.00 99.99 C ATOM 848 CD PRO C 25 -8.418 -7.369 13.661 1.00 99.99 C ATOM 0 HA PRO C 25 -6.397 -8.671 11.575 1.00 99.99 H new ATOM 0 HB2 PRO C 25 -9.069 -9.016 10.841 1.00 99.99 H new ATOM 0 HB3 PRO C 25 -8.387 -9.836 12.232 1.00 99.99 H new ATOM 0 HG2 PRO C 25 -10.014 -7.247 12.179 1.00 99.99 H new ATOM 0 HG3 PRO C 25 -10.174 -8.604 13.277 1.00 99.99 H new ATOM 0 HD2 PRO C 25 -8.769 -6.415 14.055 1.00 99.99 H new ATOM 0 HD3 PRO C 25 -8.210 -8.011 14.517 1.00 99.99 H new ATOM 856 N LEU C 26 -7.748 -5.979 10.362 1.00 99.99 N ATOM 857 CA LEU C 26 -7.729 -5.021 9.264 1.00 99.99 C ATOM 858 C LEU C 26 -6.294 -4.599 8.987 1.00 99.99 C ATOM 859 O LEU C 26 -5.915 -4.526 7.846 1.00 99.99 O ATOM 860 CB LEU C 26 -8.505 -3.735 9.578 1.00 99.99 C ATOM 861 CG LEU C 26 -8.355 -2.579 8.563 1.00 99.99 C ATOM 862 CD1 LEU C 26 -8.918 -2.927 7.183 1.00 99.99 C ATOM 863 CD2 LEU C 26 -9.012 -1.304 9.109 1.00 99.99 C ATOM 0 H LEU C 26 -8.162 -5.577 11.203 1.00 99.99 H new ATOM 0 HA LEU C 26 -8.194 -5.522 8.415 1.00 99.99 H new ATOM 0 HB2 LEU C 26 -9.563 -3.985 9.658 1.00 99.99 H new ATOM 0 HB3 LEU C 26 -8.188 -3.374 10.556 1.00 99.99 H new ATOM 0 HG LEU C 26 -7.287 -2.406 8.431 1.00 99.99 H new ATOM 0 HD11 LEU C 26 -8.785 -2.079 6.511 1.00 99.99 H new ATOM 0 HD12 LEU C 26 -8.390 -3.793 6.783 1.00 99.99 H new ATOM 0 HD13 LEU C 26 -9.980 -3.158 7.271 1.00 99.99 H new ATOM 0 HD21 LEU C 26 -8.899 -0.498 8.384 1.00 99.99 H new ATOM 0 HD22 LEU C 26 -10.072 -1.488 9.285 1.00 99.99 H new ATOM 0 HD23 LEU C 26 -8.532 -1.020 10.046 1.00 99.99 H new ATOM 875 N VAL C 27 -5.579 -4.340 9.995 1.00 99.99 N ATOM 876 CA VAL C 27 -4.193 -3.900 9.876 1.00 99.99 C ATOM 877 C VAL C 27 -3.343 -5.050 9.358 1.00 99.99 C ATOM 878 O VAL C 27 -2.553 -4.840 8.471 1.00 99.99 O ATOM 879 CB VAL C 27 -3.583 -3.481 11.220 1.00 99.99 C ATOM 880 CG1 VAL C 27 -2.088 -3.142 11.059 1.00 99.99 C ATOM 881 CG2 VAL C 27 -4.333 -2.245 11.765 1.00 99.99 C ATOM 0 H VAL C 27 -5.910 -4.417 10.957 1.00 99.99 H new ATOM 0 HA VAL C 27 -4.200 -3.043 9.202 1.00 99.99 H new ATOM 0 HB VAL C 27 -3.680 -4.312 11.919 1.00 99.99 H new ATOM 0 HG11 VAL C 27 -1.676 -2.847 12.024 1.00 99.99 H new ATOM 0 HG12 VAL C 27 -1.554 -4.017 10.688 1.00 99.99 H new ATOM 0 HG13 VAL C 27 -1.975 -2.321 10.351 1.00 99.99 H new ATOM 0 HG21 VAL C 27 -3.899 -1.948 12.720 1.00 99.99 H new ATOM 0 HG22 VAL C 27 -4.244 -1.423 11.055 1.00 99.99 H new ATOM 0 HG23 VAL C 27 -5.386 -2.491 11.906 1.00 99.99 H new ATOM 891 N VAL C 28 -3.517 -6.173 9.906 1.00 99.99 N ATOM 892 CA VAL C 28 -2.751 -7.355 9.527 1.00 99.99 C ATOM 893 C VAL C 28 -3.171 -7.801 8.135 1.00 99.99 C ATOM 894 O VAL C 28 -2.322 -8.103 7.335 1.00 99.99 O ATOM 895 CB VAL C 28 -2.996 -8.549 10.459 1.00 99.99 C ATOM 896 CG1 VAL C 28 -2.311 -9.825 9.926 1.00 99.99 C ATOM 897 CG2 VAL C 28 -2.480 -8.220 11.873 1.00 99.99 C ATOM 0 H VAL C 28 -4.198 -6.339 10.647 1.00 99.99 H new ATOM 0 HA VAL C 28 -1.700 -7.070 9.580 1.00 99.99 H new ATOM 0 HB VAL C 28 -4.069 -8.737 10.499 1.00 99.99 H new ATOM 0 HG11 VAL C 28 -2.503 -10.653 10.608 1.00 99.99 H new ATOM 0 HG12 VAL C 28 -2.709 -10.067 8.940 1.00 99.99 H new ATOM 0 HG13 VAL C 28 -1.236 -9.657 9.852 1.00 99.99 H new ATOM 0 HG21 VAL C 28 -2.656 -9.071 12.532 1.00 99.99 H new ATOM 0 HG22 VAL C 28 -1.411 -8.009 11.830 1.00 99.99 H new ATOM 0 HG23 VAL C 28 -3.007 -7.347 12.259 1.00 99.99 H new ATOM 907 N ALA C 29 -4.410 -7.834 7.904 1.00 99.99 N ATOM 908 CA ALA C 29 -4.955 -8.269 6.621 1.00 99.99 C ATOM 909 C ALA C 29 -4.456 -7.339 5.524 1.00 99.99 C ATOM 910 O ALA C 29 -4.111 -7.814 4.469 1.00 99.99 O ATOM 911 CB ALA C 29 -6.487 -8.211 6.572 1.00 99.99 C ATOM 0 H ALA C 29 -5.118 -7.563 8.586 1.00 99.99 H new ATOM 0 HA ALA C 29 -4.631 -9.300 6.484 1.00 99.99 H new ATOM 0 HB1 ALA C 29 -6.833 -8.546 5.594 1.00 99.99 H new ATOM 0 HB2 ALA C 29 -6.901 -8.859 7.345 1.00 99.99 H new ATOM 0 HB3 ALA C 29 -6.818 -7.187 6.742 1.00 99.99 H new ATOM 917 N ALA C 30 -4.442 -6.106 5.790 1.00 99.99 N ATOM 918 CA ALA C 30 -4.012 -5.104 4.822 1.00 99.99 C ATOM 919 C ALA C 30 -2.541 -5.312 4.499 1.00 99.99 C ATOM 920 O ALA C 30 -2.156 -5.115 3.372 1.00 99.99 O ATOM 921 CB ALA C 30 -4.138 -3.670 5.354 1.00 99.99 C ATOM 0 H ALA C 30 -4.726 -5.720 6.690 1.00 99.99 H new ATOM 0 HA ALA C 30 -4.656 -5.224 3.951 1.00 99.99 H new ATOM 0 HB1 ALA C 30 -3.804 -2.968 4.590 1.00 99.99 H new ATOM 0 HB2 ALA C 30 -5.179 -3.465 5.605 1.00 99.99 H new ATOM 0 HB3 ALA C 30 -3.521 -3.557 6.246 1.00 99.99 H new ATOM 927 N SER C 31 -1.802 -5.685 5.449 1.00 99.99 N ATOM 928 CA SER C 31 -0.368 -5.899 5.287 1.00 99.99 C ATOM 929 C SER C 31 -0.137 -6.990 4.252 1.00 99.99 C ATOM 930 O SER C 31 0.693 -6.819 3.395 1.00 99.99 O ATOM 931 CB SER C 31 0.316 -6.370 6.576 1.00 99.99 C ATOM 932 OG SER C 31 0.270 -5.354 7.576 1.00 99.99 O ATOM 0 H SER C 31 -2.145 -5.864 6.393 1.00 99.99 H new ATOM 0 HA SER C 31 0.053 -4.939 4.990 1.00 99.99 H new ATOM 0 HB2 SER C 31 -0.174 -7.271 6.944 1.00 99.99 H new ATOM 0 HB3 SER C 31 1.353 -6.634 6.367 1.00 99.99 H new ATOM 0 HG SER C 31 -0.659 -5.205 7.848 1.00 99.99 H new ATOM 938 N ILE C 32 -0.839 -8.033 4.365 1.00 99.99 N ATOM 939 CA ILE C 32 -0.704 -9.167 3.460 1.00 99.99 C ATOM 940 C ILE C 32 -1.113 -8.746 2.056 1.00 99.99 C ATOM 941 O ILE C 32 -0.500 -9.175 1.114 1.00 99.99 O ATOM 942 CB ILE C 32 -1.611 -10.346 3.840 1.00 99.99 C ATOM 943 CG1 ILE C 32 -1.175 -10.937 5.199 1.00 99.99 C ATOM 944 CG2 ILE C 32 -1.577 -11.440 2.752 1.00 99.99 C ATOM 945 CD1 ILE C 32 -2.228 -11.869 5.813 1.00 99.99 C ATOM 0 H ILE C 32 -1.546 -8.161 5.089 1.00 99.99 H new ATOM 0 HA ILE C 32 0.338 -9.481 3.519 1.00 99.99 H new ATOM 0 HB ILE C 32 -2.633 -9.977 3.923 1.00 99.99 H new ATOM 0 HG12 ILE C 32 -0.243 -11.487 5.068 1.00 99.99 H new ATOM 0 HG13 ILE C 32 -0.969 -10.123 5.894 1.00 99.99 H new ATOM 0 HG21 ILE C 32 -2.227 -12.264 3.044 1.00 99.99 H new ATOM 0 HG22 ILE C 32 -1.923 -11.023 1.806 1.00 99.99 H new ATOM 0 HG23 ILE C 32 -0.557 -11.806 2.636 1.00 99.99 H new ATOM 0 HD11 ILE C 32 -1.863 -12.252 6.766 1.00 99.99 H new ATOM 0 HD12 ILE C 32 -3.153 -11.316 5.974 1.00 99.99 H new ATOM 0 HD13 ILE C 32 -2.416 -12.702 5.135 1.00 99.99 H new ATOM 957 N ILE C 33 -2.094 -7.958 1.970 1.00 99.99 N ATOM 958 CA ILE C 33 -2.613 -7.493 0.688 1.00 99.99 C ATOM 959 C ILE C 33 -1.527 -6.713 -0.041 1.00 99.99 C ATOM 960 O ILE C 33 -1.322 -6.944 -1.205 1.00 99.99 O ATOM 961 CB ILE C 33 -3.804 -6.537 0.834 1.00 99.99 C ATOM 962 CG1 ILE C 33 -5.090 -7.379 1.030 1.00 99.99 C ATOM 963 CG2 ILE C 33 -3.944 -5.593 -0.373 1.00 99.99 C ATOM 964 CD1 ILE C 33 -6.295 -6.595 1.562 1.00 99.99 C ATOM 0 H ILE C 33 -2.594 -7.590 2.779 1.00 99.99 H new ATOM 0 HA ILE C 33 -2.932 -8.384 0.148 1.00 99.99 H new ATOM 0 HB ILE C 33 -3.637 -5.899 1.702 1.00 99.99 H new ATOM 0 HG12 ILE C 33 -5.361 -7.831 0.076 1.00 99.99 H new ATOM 0 HG13 ILE C 33 -4.872 -8.195 1.719 1.00 99.99 H new ATOM 0 HG21 ILE C 33 -4.801 -4.936 -0.223 1.00 99.99 H new ATOM 0 HG22 ILE C 33 -3.039 -4.993 -0.473 1.00 99.99 H new ATOM 0 HG23 ILE C 33 -4.091 -6.180 -1.279 1.00 99.99 H new ATOM 0 HD11 ILE C 33 -7.148 -7.266 1.667 1.00 99.99 H new ATOM 0 HD12 ILE C 33 -6.049 -6.165 2.533 1.00 99.99 H new ATOM 0 HD13 ILE C 33 -6.546 -5.796 0.865 1.00 99.99 H new ATOM 976 N GLY C 34 -0.898 -5.855 0.638 1.00 99.99 N ATOM 977 CA GLY C 34 0.151 -5.020 0.060 1.00 99.99 C ATOM 978 C GLY C 34 1.317 -5.897 -0.362 1.00 99.99 C ATOM 979 O GLY C 34 1.917 -5.627 -1.372 1.00 99.99 O ATOM 0 H GLY C 34 -1.071 -5.681 1.628 1.00 99.99 H new ATOM 0 HA2 GLY C 34 -0.236 -4.473 -0.799 1.00 99.99 H new ATOM 0 HA3 GLY C 34 0.483 -4.279 0.787 1.00 99.99 H new ATOM 983 N ILE C 35 1.281 -7.166 0.012 1.00 99.99 N ATOM 984 CA ILE C 35 2.326 -8.040 -0.514 1.00 99.99 C ATOM 985 C ILE C 35 1.812 -8.751 -1.755 1.00 99.99 C ATOM 986 O ILE C 35 2.518 -8.809 -2.730 1.00 99.99 O ATOM 987 CB ILE C 35 2.740 -9.138 0.475 1.00 99.99 C ATOM 988 CG1 ILE C 35 3.270 -8.509 1.788 1.00 99.99 C ATOM 989 CG2 ILE C 35 3.817 -10.039 -0.165 1.00 99.99 C ATOM 990 CD1 ILE C 35 3.417 -9.488 2.957 1.00 99.99 C ATOM 0 H ILE C 35 0.594 -7.595 0.632 1.00 99.99 H new ATOM 0 HA ILE C 35 3.184 -7.400 -0.720 1.00 99.99 H new ATOM 0 HB ILE C 35 1.868 -9.747 0.715 1.00 99.99 H new ATOM 0 HG12 ILE C 35 4.240 -8.053 1.590 1.00 99.99 H new ATOM 0 HG13 ILE C 35 2.596 -7.706 2.087 1.00 99.99 H new ATOM 0 HG21 ILE C 35 4.107 -10.817 0.541 1.00 99.99 H new ATOM 0 HG22 ILE C 35 3.416 -10.500 -1.068 1.00 99.99 H new ATOM 0 HG23 ILE C 35 4.689 -9.438 -0.421 1.00 99.99 H new ATOM 0 HD11 ILE C 35 3.794 -8.957 3.831 1.00 99.99 H new ATOM 0 HD12 ILE C 35 2.446 -9.926 3.189 1.00 99.99 H new ATOM 0 HD13 ILE C 35 4.116 -10.279 2.684 1.00 99.99 H new ATOM 1002 N LEU C 36 0.655 -9.247 -1.683 1.00 99.99 N ATOM 1003 CA LEU C 36 0.049 -9.981 -2.789 1.00 99.99 C ATOM 1004 C LEU C 36 -0.057 -9.066 -4.000 1.00 99.99 C ATOM 1005 O LEU C 36 0.244 -9.494 -5.085 1.00 99.99 O ATOM 1006 CB LEU C 36 -1.376 -10.457 -2.480 1.00 99.99 C ATOM 1007 CG LEU C 36 -2.122 -11.124 -3.655 1.00 99.99 C ATOM 1008 CD1 LEU C 36 -1.417 -12.413 -4.099 1.00 99.99 C ATOM 1009 CD2 LEU C 36 -3.587 -11.400 -3.291 1.00 99.99 C ATOM 0 H LEU C 36 0.061 -9.175 -0.857 1.00 99.99 H new ATOM 0 HA LEU C 36 0.686 -10.848 -2.967 1.00 99.99 H new ATOM 0 HB2 LEU C 36 -1.333 -11.164 -1.651 1.00 99.99 H new ATOM 0 HB3 LEU C 36 -1.960 -9.602 -2.140 1.00 99.99 H new ATOM 0 HG LEU C 36 -2.108 -10.429 -4.494 1.00 99.99 H new ATOM 0 HD11 LEU C 36 -1.965 -12.861 -4.928 1.00 99.99 H new ATOM 0 HD12 LEU C 36 -0.401 -12.180 -4.419 1.00 99.99 H new ATOM 0 HD13 LEU C 36 -1.383 -13.115 -3.266 1.00 99.99 H new ATOM 0 HD21 LEU C 36 -4.090 -11.870 -4.136 1.00 99.99 H new ATOM 0 HD22 LEU C 36 -3.629 -12.065 -2.428 1.00 99.99 H new ATOM 0 HD23 LEU C 36 -4.085 -10.461 -3.049 1.00 99.99 H new ATOM 1021 N HIS C 37 -0.506 -7.803 -3.815 1.00 99.99 N ATOM 1022 CA HIS C 37 -0.708 -6.835 -4.866 1.00 99.99 C ATOM 1023 C HIS C 37 0.596 -6.537 -5.555 1.00 99.99 C ATOM 1024 O HIS C 37 0.618 -6.190 -6.734 1.00 99.99 O ATOM 1025 CB HIS C 37 -1.296 -5.516 -4.310 1.00 99.99 C ATOM 1026 CG HIS C 37 -1.710 -4.528 -5.370 1.00 99.99 C ATOM 1027 ND1 HIS C 37 -1.937 -3.206 -5.094 1.00 99.99 N ATOM 1028 CD2 HIS C 37 -1.981 -4.712 -6.684 1.00 99.99 C ATOM 1029 CE1 HIS C 37 -2.323 -2.607 -6.213 1.00 99.99 C ATOM 1030 NE2 HIS C 37 -2.357 -3.499 -7.192 1.00 99.99 N ATOM 0 H HIS C 37 -0.739 -7.439 -2.891 1.00 99.99 H new ATOM 0 HA HIS C 37 -1.415 -7.263 -5.576 1.00 99.99 H new ATOM 0 HB2 HIS C 37 -2.161 -5.750 -3.690 1.00 99.99 H new ATOM 0 HB3 HIS C 37 -0.556 -5.047 -3.661 1.00 99.99 H new ATOM 0 HD2 HIS C 37 -1.913 -5.642 -7.229 1.00 99.99 H new ATOM 0 HE1 HIS C 37 -2.570 -1.560 -6.310 1.00 99.99 H new ATOM 0 HE2 HIS C 37 -2.619 -3.313 -8.160 1.00 99.99 H new ATOM 1038 N LEU C 38 1.722 -6.713 -4.822 1.00 99.99 N ATOM 1039 CA LEU C 38 3.061 -6.482 -5.349 1.00 99.99 C ATOM 1040 C LEU C 38 3.421 -7.598 -6.319 1.00 99.99 C ATOM 1041 O LEU C 38 3.943 -7.318 -7.367 1.00 99.99 O ATOM 1042 CB LEU C 38 4.144 -6.490 -4.260 1.00 99.99 C ATOM 1043 CG LEU C 38 5.574 -6.270 -4.810 1.00 99.99 C ATOM 1044 CD1 LEU C 38 5.700 -4.931 -5.549 1.00 99.99 C ATOM 1045 CD2 LEU C 38 6.635 -6.377 -3.715 1.00 99.99 C ATOM 0 H LEU C 38 1.712 -7.020 -3.849 1.00 99.99 H new ATOM 0 HA LEU C 38 3.036 -5.501 -5.823 1.00 99.99 H new ATOM 0 HB2 LEU C 38 3.920 -5.712 -3.530 1.00 99.99 H new ATOM 0 HB3 LEU C 38 4.109 -7.442 -3.731 1.00 99.99 H new ATOM 0 HG LEU C 38 5.753 -7.072 -5.526 1.00 99.99 H new ATOM 0 HD11 LEU C 38 6.718 -4.814 -5.920 1.00 99.99 H new ATOM 0 HD12 LEU C 38 5.004 -4.911 -6.388 1.00 99.99 H new ATOM 0 HD13 LEU C 38 5.467 -4.115 -4.865 1.00 99.99 H new ATOM 0 HD21 LEU C 38 7.622 -6.216 -4.148 1.00 99.99 H new ATOM 0 HD22 LEU C 38 6.446 -5.623 -2.951 1.00 99.99 H new ATOM 0 HD23 LEU C 38 6.594 -7.369 -3.264 1.00 99.99 H new ATOM 1057 N ILE C 39 3.146 -8.772 -5.953 1.00 99.99 N ATOM 1058 CA ILE C 39 3.460 -9.939 -6.770 1.00 99.99 C ATOM 1059 C ILE C 39 2.665 -9.871 -8.065 1.00 99.99 C ATOM 1060 O ILE C 39 3.215 -10.140 -9.105 1.00 99.99 O ATOM 1061 CB ILE C 39 3.075 -11.263 -6.095 1.00 99.99 C ATOM 1062 CG1 ILE C 39 3.970 -11.501 -4.859 1.00 99.99 C ATOM 1063 CG2 ILE C 39 3.210 -12.432 -7.094 1.00 99.99 C ATOM 1064 CD1 ILE C 39 3.545 -12.707 -4.010 1.00 99.99 C ATOM 0 H ILE C 39 2.689 -8.994 -5.069 1.00 99.99 H new ATOM 0 HA ILE C 39 4.538 -9.920 -6.932 1.00 99.99 H new ATOM 0 HB ILE C 39 2.036 -11.208 -5.771 1.00 99.99 H new ATOM 0 HG12 ILE C 39 4.999 -11.645 -5.189 1.00 99.99 H new ATOM 0 HG13 ILE C 39 3.958 -10.607 -4.235 1.00 99.99 H new ATOM 0 HG21 ILE C 39 2.934 -13.365 -6.602 1.00 99.99 H new ATOM 0 HG22 ILE C 39 2.550 -12.261 -7.945 1.00 99.99 H new ATOM 0 HG23 ILE C 39 4.241 -12.496 -7.441 1.00 99.99 H new ATOM 0 HD11 ILE C 39 4.220 -12.810 -3.161 1.00 99.99 H new ATOM 0 HD12 ILE C 39 2.528 -12.557 -3.649 1.00 99.99 H new ATOM 0 HD13 ILE C 39 3.585 -13.611 -4.617 1.00 99.99 H new ATOM 1076 N LEU C 40 1.453 -9.541 -7.968 1.00 99.99 N ATOM 1077 CA LEU C 40 0.568 -9.461 -9.124 1.00 99.99 C ATOM 1078 C LEU C 40 1.084 -8.396 -10.081 1.00 99.99 C ATOM 1079 O LEU C 40 1.112 -8.635 -11.262 1.00 99.99 O ATOM 1080 CB LEU C 40 -0.864 -9.053 -8.755 1.00 99.99 C ATOM 1081 CG LEU C 40 -1.684 -10.118 -7.993 1.00 99.99 C ATOM 1082 CD1 LEU C 40 -3.051 -9.529 -7.592 1.00 99.99 C ATOM 1083 CD2 LEU C 40 -1.887 -11.398 -8.815 1.00 99.99 C ATOM 0 H LEU C 40 1.002 -9.307 -7.083 1.00 99.99 H new ATOM 0 HA LEU C 40 0.554 -10.457 -9.566 1.00 99.99 H new ATOM 0 HB2 LEU C 40 -0.820 -8.150 -8.147 1.00 99.99 H new ATOM 0 HB3 LEU C 40 -1.397 -8.796 -9.670 1.00 99.99 H new ATOM 0 HG LEU C 40 -1.118 -10.393 -7.103 1.00 99.99 H new ATOM 0 HD11 LEU C 40 -3.628 -10.282 -7.055 1.00 99.99 H new ATOM 0 HD12 LEU C 40 -2.899 -8.661 -6.950 1.00 99.99 H new ATOM 0 HD13 LEU C 40 -3.594 -9.227 -8.488 1.00 99.99 H new ATOM 0 HD21 LEU C 40 -2.469 -12.114 -8.235 1.00 99.99 H new ATOM 0 HD22 LEU C 40 -2.419 -11.159 -9.736 1.00 99.99 H new ATOM 0 HD23 LEU C 40 -0.917 -11.831 -9.059 1.00 99.99 H new ATOM 1095 N TRP C 41 1.453 -7.305 -9.566 1.00 99.99 N ATOM 1096 CA TRP C 41 1.942 -6.189 -10.366 1.00 99.99 C ATOM 1097 C TRP C 41 3.274 -6.570 -10.995 1.00 99.99 C ATOM 1098 O TRP C 41 3.481 -6.285 -12.148 1.00 99.99 O ATOM 1099 CB TRP C 41 2.200 -4.925 -9.534 1.00 99.99 C ATOM 1100 CG TRP C 41 2.609 -3.717 -10.358 1.00 99.99 C ATOM 1101 CD1 TRP C 41 1.796 -2.915 -11.098 1.00 99.99 C ATOM 1102 CD2 TRP C 41 3.955 -3.268 -10.591 1.00 99.99 C ATOM 1103 NE1 TRP C 41 2.528 -1.941 -11.715 1.00 99.99 N ATOM 1104 CE2 TRP C 41 3.859 -2.160 -11.454 1.00 99.99 C ATOM 1105 CE3 TRP C 41 5.189 -3.726 -10.119 1.00 99.99 C ATOM 1106 CZ2 TRP C 41 4.996 -1.473 -11.853 1.00 99.99 C ATOM 1107 CZ3 TRP C 41 6.331 -3.037 -10.535 1.00 99.99 C ATOM 1108 CH2 TRP C 41 6.243 -1.924 -11.389 1.00 99.99 C ATOM 0 H TRP C 41 1.438 -7.122 -8.563 1.00 99.99 H new ATOM 0 HA TRP C 41 1.169 -5.979 -11.105 1.00 99.99 H new ATOM 0 HB2 TRP C 41 1.298 -4.681 -8.973 1.00 99.99 H new ATOM 0 HB3 TRP C 41 2.982 -5.136 -8.804 1.00 99.99 H new ATOM 0 HD1 TRP C 41 0.726 -3.032 -11.185 1.00 99.99 H new ATOM 0 HE1 TRP C 41 2.150 -1.178 -12.276 1.00 99.99 H new ATOM 0 HE3 TRP C 41 5.257 -4.578 -9.459 1.00 99.99 H new ATOM 0 HZ2 TRP C 41 4.925 -0.614 -12.503 1.00 99.99 H new ATOM 0 HZ3 TRP C 41 7.301 -3.366 -10.193 1.00 99.99 H new ATOM 0 HH2 TRP C 41 7.143 -1.410 -11.692 1.00 99.99 H new ATOM 1119 N ILE C 42 4.101 -7.165 -10.249 1.00 99.99 N ATOM 1120 CA ILE C 42 5.426 -7.564 -10.713 1.00 99.99 C ATOM 1121 C ILE C 42 5.282 -8.657 -11.761 1.00 99.99 C ATOM 1122 O ILE C 42 5.963 -8.608 -12.755 1.00 99.99 O ATOM 1123 CB ILE C 42 6.298 -8.148 -9.596 1.00 99.99 C ATOM 1124 CG1 ILE C 42 6.728 -7.031 -8.617 1.00 99.99 C ATOM 1125 CG2 ILE C 42 7.542 -8.853 -10.181 1.00 99.99 C ATOM 1126 CD1 ILE C 42 7.528 -7.543 -7.409 1.00 99.99 C ATOM 0 H ILE C 42 3.910 -7.410 -9.277 1.00 99.99 H new ATOM 0 HA ILE C 42 5.899 -6.663 -11.103 1.00 99.99 H new ATOM 0 HB ILE C 42 5.710 -8.888 -9.054 1.00 99.99 H new ATOM 0 HG12 ILE C 42 7.329 -6.299 -9.156 1.00 99.99 H new ATOM 0 HG13 ILE C 42 5.839 -6.512 -8.259 1.00 99.99 H new ATOM 0 HG21 ILE C 42 8.145 -9.259 -9.369 1.00 99.99 H new ATOM 0 HG22 ILE C 42 7.226 -9.663 -10.839 1.00 99.99 H new ATOM 0 HG23 ILE C 42 8.134 -8.135 -10.749 1.00 99.99 H new ATOM 0 HD11 ILE C 42 7.795 -6.703 -6.767 1.00 99.99 H new ATOM 0 HD12 ILE C 42 6.922 -8.252 -6.846 1.00 99.99 H new ATOM 0 HD13 ILE C 42 8.436 -8.037 -7.756 1.00 99.99 H new ATOM 1138 N LEU C 43 4.447 -9.570 -11.515 1.00 99.99 N ATOM 1139 CA LEU C 43 4.229 -10.692 -12.421 1.00 99.99 C ATOM 1140 C LEU C 43 3.653 -10.176 -13.732 1.00 99.99 C ATOM 1141 O LEU C 43 3.983 -10.703 -14.764 1.00 99.99 O ATOM 1142 CB LEU C 43 3.219 -11.710 -11.876 1.00 99.99 C ATOM 1143 CG LEU C 43 3.723 -12.520 -10.658 1.00 99.99 C ATOM 1144 CD1 LEU C 43 2.562 -13.308 -10.025 1.00 99.99 C ATOM 1145 CD2 LEU C 43 4.864 -13.478 -11.036 1.00 99.99 C ATOM 0 H LEU C 43 3.868 -9.594 -10.676 1.00 99.99 H new ATOM 0 HA LEU C 43 5.197 -11.177 -12.547 1.00 99.99 H new ATOM 0 HB2 LEU C 43 2.307 -11.184 -11.595 1.00 99.99 H new ATOM 0 HB3 LEU C 43 2.954 -12.404 -12.674 1.00 99.99 H new ATOM 0 HG LEU C 43 4.116 -11.807 -9.933 1.00 99.99 H new ATOM 0 HD11 LEU C 43 2.930 -13.874 -9.169 1.00 99.99 H new ATOM 0 HD12 LEU C 43 1.788 -12.614 -9.696 1.00 99.99 H new ATOM 0 HD13 LEU C 43 2.144 -13.995 -10.761 1.00 99.99 H new ATOM 0 HD21 LEU C 43 5.187 -14.026 -10.151 1.00 99.99 H new ATOM 0 HD22 LEU C 43 4.513 -14.182 -11.791 1.00 99.99 H new ATOM 0 HD23 LEU C 43 5.702 -12.906 -11.435 1.00 99.99 H new ATOM 1157 N ASP C 44 2.840 -9.215 -13.652 1.00 99.99 N ATOM 1158 CA ASP C 44 2.193 -8.641 -14.823 1.00 99.99 C ATOM 1159 C ASP C 44 3.242 -7.972 -15.702 1.00 99.99 C ATOM 1160 O ASP C 44 3.166 -8.091 -16.899 1.00 99.99 O ATOM 1161 CB ASP C 44 1.169 -7.553 -14.470 1.00 99.99 C ATOM 1162 CG ASP C 44 0.428 -7.016 -15.710 1.00 99.99 C ATOM 1163 OD1 ASP C 44 -0.343 -7.792 -16.325 1.00 99.99 O ATOM 1164 OD2 ASP C 44 0.577 -5.803 -16.043 1.00 99.99 O ATOM 0 H ASP C 44 2.576 -8.771 -12.772 1.00 99.99 H new ATOM 0 HA ASP C 44 1.684 -9.465 -15.323 1.00 99.99 H new ATOM 0 HB2 ASP C 44 0.444 -7.957 -13.764 1.00 99.99 H new ATOM 0 HB3 ASP C 44 1.677 -6.729 -13.969 1.00 99.99 H new ATOM 1169 N ARG C 45 4.140 -7.316 -15.108 1.00 99.99 N ATOM 1170 CA ARG C 45 5.194 -6.606 -15.824 1.00 99.99 C ATOM 1171 C ARG C 45 6.053 -7.607 -16.582 1.00 99.99 C ATOM 1172 O ARG C 45 6.388 -7.354 -17.711 1.00 99.99 O ATOM 1173 CB ARG C 45 6.142 -5.844 -14.890 1.00 99.99 C ATOM 1174 CG ARG C 45 5.463 -4.690 -14.122 1.00 99.99 C ATOM 1175 CD ARG C 45 5.200 -3.456 -14.996 1.00 99.99 C ATOM 1176 NE ARG C 45 3.804 -3.552 -15.554 1.00 99.99 N ATOM 1177 CZ ARG C 45 3.447 -2.877 -16.663 1.00 99.99 C ATOM 1178 NH1 ARG C 45 4.311 -2.071 -17.305 1.00 99.99 N ATOM 1179 NH2 ARG C 45 2.184 -2.998 -17.104 1.00 99.99 N ATOM 0 H ARG C 45 4.198 -7.232 -14.093 1.00 99.99 H new ATOM 0 HA ARG C 45 4.691 -5.898 -16.482 1.00 99.99 H new ATOM 0 HB2 ARG C 45 6.570 -6.544 -14.172 1.00 99.99 H new ATOM 0 HB3 ARG C 45 6.969 -5.442 -15.475 1.00 99.99 H new ATOM 0 HG2 ARG C 45 4.518 -5.043 -13.709 1.00 99.99 H new ATOM 0 HG3 ARG C 45 6.092 -4.403 -13.279 1.00 99.99 H new ATOM 0 HD2 ARG C 45 5.311 -2.545 -14.408 1.00 99.99 H new ATOM 0 HD3 ARG C 45 5.928 -3.403 -15.805 1.00 99.99 H new ATOM 0 HE ARG C 45 3.116 -4.140 -15.083 1.00 99.99 H new ATOM 0 HH11 ARG C 45 5.262 -1.960 -16.954 1.00 99.99 H new ATOM 0 HH12 ARG C 45 4.015 -1.571 -18.143 1.00 99.99 H new ATOM 0 HH21 ARG C 45 1.523 -3.590 -16.601 1.00 99.99 H new ATOM 0 HH22 ARG C 45 1.886 -2.498 -17.942 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 -10.358 -17.700 1.00 99.99 C ATOM 1196 O LEU C 46 5.455 -11.041 -17.485 1.00 99.99 O ATOM 1197 CB LEU C 46 7.574 -10.810 -15.573 1.00 99.99 C ATOM 1198 CG LEU C 46 8.348 -10.406 -14.294 1.00 99.99 C ATOM 1199 CD1 LEU C 46 8.391 -11.621 -13.347 1.00 99.99 C ATOM 1200 CD2 LEU C 46 9.768 -9.904 -14.576 1.00 99.99 C ATOM 0 H LEU C 46 6.068 -8.867 -15.011 1.00 99.99 H new ATOM 0 HA LEU C 46 8.120 -9.193 -16.888 1.00 99.99 H new ATOM 0 HB2 LEU C 46 6.652 -11.304 -15.267 1.00 99.99 H new ATOM 0 HB3 LEU C 46 8.170 -11.550 -16.108 1.00 99.99 H new ATOM 0 HG LEU C 46 7.821 -9.569 -13.836 1.00 99.99 H new ATOM 0 HD11 LEU C 46 8.933 -11.356 -12.439 1.00 99.99 H new ATOM 0 HD12 LEU C 46 7.374 -11.918 -13.089 1.00 99.99 H new ATOM 0 HD13 LEU C 46 8.896 -12.450 -13.842 1.00 99.99 H new ATOM 0 HD21 LEU C 46 10.253 -9.638 -13.637 1.00 99.99 H new ATOM 0 HD22 LEU C 46 10.340 -10.689 -15.070 1.00 99.99 H new ATOM 0 HD23 LEU C 46 9.722 -9.027 -15.222 1.00 99.99 H new ATOM 1213 N SER D 22 10.412 -0.605 18.986 1.00 99.99 N ATOM 1214 CA SER D 22 10.116 -1.253 17.676 1.00 99.99 C ATOM 1215 C SER D 22 8.656 -1.594 17.532 1.00 99.99 C ATOM 1216 O SER D 22 7.871 -1.458 18.471 1.00 99.99 O ATOM 1217 CB SER D 22 11.011 -2.513 17.450 1.00 99.99 C ATOM 1218 OG SER D 22 10.783 -3.544 18.409 1.00 99.99 O ATOM 0 HA SER D 22 10.356 -0.526 16.901 1.00 99.99 H new ATOM 0 HB2 SER D 22 10.826 -2.908 16.451 1.00 99.99 H new ATOM 0 HB3 SER D 22 12.059 -2.217 17.487 1.00 99.99 H new ATOM 0 HG SER D 22 11.369 -4.306 18.216 1.00 99.99 H new ATOM 1223 N SER D 23 8.270 -2.057 16.319 1.00 99.99 N ATOM 1224 CA SER D 23 6.940 -2.533 16.024 1.00 99.99 C ATOM 1225 C SER D 23 7.110 -3.960 15.566 1.00 99.99 C ATOM 1226 O SER D 23 8.170 -4.555 15.758 1.00 99.99 O ATOM 1227 CB SER D 23 6.226 -1.683 14.945 1.00 99.99 C ATOM 1228 OG SER D 23 6.049 -0.350 15.407 1.00 99.99 O ATOM 0 H SER D 23 8.901 -2.102 15.519 1.00 99.99 H new ATOM 0 HA SER D 23 6.305 -2.459 16.907 1.00 99.99 H new ATOM 0 HB2 SER D 23 6.812 -1.682 14.026 1.00 99.99 H new ATOM 0 HB3 SER D 23 5.258 -2.124 14.706 1.00 99.99 H new ATOM 0 HG SER D 23 5.598 0.179 14.716 1.00 99.99 H new ATOM 1234 N ASP D 24 6.046 -4.559 14.972 1.00 99.99 N ATOM 1235 CA ASP D 24 6.006 -5.964 14.610 1.00 99.99 C ATOM 1236 C ASP D 24 6.569 -6.119 13.214 1.00 99.99 C ATOM 1237 O ASP D 24 6.455 -5.177 12.437 1.00 99.99 O ATOM 1238 CB ASP D 24 4.559 -6.530 14.620 1.00 99.99 C ATOM 1239 CG ASP D 24 3.936 -6.461 16.018 1.00 99.99 C ATOM 1240 OD1 ASP D 24 4.692 -6.372 17.023 1.00 99.99 O ATOM 1241 OD2 ASP D 24 2.679 -6.506 16.095 1.00 99.99 O ATOM 0 H ASP D 24 5.190 -4.057 14.736 1.00 99.99 H new ATOM 0 HA ASP D 24 6.592 -6.516 15.345 1.00 99.99 H new ATOM 0 HB2 ASP D 24 3.943 -5.968 13.918 1.00 99.99 H new ATOM 0 HB3 ASP D 24 4.570 -7.564 14.277 1.00 99.99 H new ATOM 1246 N PRO D 25 7.196 -7.232 12.825 1.00 99.99 N ATOM 1247 CA PRO D 25 8.043 -7.285 11.643 1.00 99.99 C ATOM 1248 C PRO D 25 7.255 -7.297 10.353 1.00 99.99 C ATOM 1249 O PRO D 25 7.825 -6.904 9.347 1.00 99.99 O ATOM 1250 CB PRO D 25 8.853 -8.582 11.802 1.00 99.99 C ATOM 1251 CG PRO D 25 8.000 -9.450 12.730 1.00 99.99 C ATOM 1252 CD PRO D 25 7.369 -8.418 13.661 1.00 99.99 C ATOM 0 HA PRO D 25 8.671 -6.397 11.575 1.00 99.99 H new ATOM 0 HB2 PRO D 25 9.016 -9.069 10.841 1.00 99.99 H new ATOM 0 HB3 PRO D 25 9.836 -8.387 12.232 1.00 99.99 H new ATOM 0 HG2 PRO D 25 7.247 -10.014 12.179 1.00 99.99 H new ATOM 0 HG3 PRO D 25 8.604 -10.174 13.277 1.00 99.99 H new ATOM 0 HD2 PRO D 25 6.415 -8.769 14.055 1.00 99.99 H new ATOM 0 HD3 PRO D 25 8.011 -8.210 14.517 1.00 99.99 H new ATOM 1260 N LEU D 26 5.979 -7.748 10.362 1.00 99.99 N ATOM 1261 CA LEU D 26 5.021 -7.729 9.264 1.00 99.99 C ATOM 1262 C LEU D 26 4.599 -6.294 8.987 1.00 99.99 C ATOM 1263 O LEU D 26 4.526 -5.915 7.846 1.00 99.99 O ATOM 1264 CB LEU D 26 3.735 -8.505 9.578 1.00 99.99 C ATOM 1265 CG LEU D 26 2.579 -8.355 8.563 1.00 99.99 C ATOM 1266 CD1 LEU D 26 2.927 -8.918 7.183 1.00 99.99 C ATOM 1267 CD2 LEU D 26 1.304 -9.012 9.109 1.00 99.99 C ATOM 0 H LEU D 26 5.577 -8.162 11.203 1.00 99.99 H new ATOM 0 HA LEU D 26 5.522 -8.194 8.415 1.00 99.99 H new ATOM 0 HB2 LEU D 26 3.985 -9.563 9.658 1.00 99.99 H new ATOM 0 HB3 LEU D 26 3.374 -8.188 10.556 1.00 99.99 H new ATOM 0 HG LEU D 26 2.406 -7.287 8.431 1.00 99.99 H new ATOM 0 HD11 LEU D 26 2.079 -8.785 6.511 1.00 99.99 H new ATOM 0 HD12 LEU D 26 3.793 -8.390 6.783 1.00 99.99 H new ATOM 0 HD13 LEU D 26 3.158 -9.980 7.271 1.00 99.99 H new ATOM 0 HD21 LEU D 26 0.498 -8.899 8.384 1.00 99.99 H new ATOM 0 HD22 LEU D 26 1.488 -10.072 9.285 1.00 99.99 H new ATOM 0 HD23 LEU D 26 1.020 -8.532 10.046 1.00 99.99 H new ATOM 1279 N VAL D 27 4.340 -5.579 9.995 1.00 99.99 N ATOM 1280 CA VAL D 27 3.900 -4.193 9.876 1.00 99.99 C ATOM 1281 C VAL D 27 5.050 -3.343 9.358 1.00 99.99 C ATOM 1282 O VAL D 27 4.840 -2.553 8.471 1.00 99.99 O ATOM 1283 CB VAL D 27 3.481 -3.583 11.220 1.00 99.99 C ATOM 1284 CG1 VAL D 27 3.142 -2.088 11.059 1.00 99.99 C ATOM 1285 CG2 VAL D 27 2.245 -4.333 11.765 1.00 99.99 C ATOM 0 H VAL D 27 4.417 -5.910 10.957 1.00 99.99 H new ATOM 0 HA VAL D 27 3.043 -4.200 9.202 1.00 99.99 H new ATOM 0 HB VAL D 27 4.312 -3.680 11.919 1.00 99.99 H new ATOM 0 HG11 VAL D 27 2.847 -1.676 12.024 1.00 99.99 H new ATOM 0 HG12 VAL D 27 4.017 -1.554 10.688 1.00 99.99 H new ATOM 0 HG13 VAL D 27 2.321 -1.975 10.351 1.00 99.99 H new ATOM 0 HG21 VAL D 27 1.948 -3.899 12.720 1.00 99.99 H new ATOM 0 HG22 VAL D 27 1.423 -4.244 11.055 1.00 99.99 H new ATOM 0 HG23 VAL D 27 2.491 -5.386 11.906 1.00 99.99 H new ATOM 1295 N VAL D 28 6.173 -3.517 9.906 1.00 99.99 N ATOM 1296 CA VAL D 28 7.355 -2.751 9.527 1.00 99.99 C ATOM 1297 C VAL D 28 7.801 -3.171 8.135 1.00 99.99 C ATOM 1298 O VAL D 28 8.103 -2.322 7.335 1.00 99.99 O ATOM 1299 CB VAL D 28 8.549 -2.996 10.459 1.00 99.99 C ATOM 1300 CG1 VAL D 28 9.825 -2.311 9.926 1.00 99.99 C ATOM 1301 CG2 VAL D 28 8.220 -2.480 11.873 1.00 99.99 C ATOM 0 H VAL D 28 6.339 -4.198 10.647 1.00 99.99 H new ATOM 0 HA VAL D 28 7.070 -1.700 9.580 1.00 99.99 H new ATOM 0 HB VAL D 28 8.737 -4.069 10.499 1.00 99.99 H new ATOM 0 HG11 VAL D 28 10.653 -2.503 10.608 1.00 99.99 H new ATOM 0 HG12 VAL D 28 10.067 -2.709 8.940 1.00 99.99 H new ATOM 0 HG13 VAL D 28 9.657 -1.236 9.852 1.00 99.99 H new ATOM 0 HG21 VAL D 28 9.071 -2.656 12.532 1.00 99.99 H new ATOM 0 HG22 VAL D 28 8.009 -1.411 11.830 1.00 99.99 H new ATOM 0 HG23 VAL D 28 7.347 -3.007 12.259 1.00 99.99 H new ATOM 1311 N ALA D 29 7.834 -4.410 7.904 1.00 99.99 N ATOM 1312 CA ALA D 29 8.269 -4.955 6.621 1.00 99.99 C ATOM 1313 C ALA D 29 7.339 -4.456 5.524 1.00 99.99 C ATOM 1314 O ALA D 29 7.814 -4.111 4.469 1.00 99.99 O ATOM 1315 CB ALA D 29 8.211 -6.487 6.572 1.00 99.99 C ATOM 0 H ALA D 29 7.563 -5.118 8.586 1.00 99.99 H new ATOM 0 HA ALA D 29 9.300 -4.631 6.484 1.00 99.99 H new ATOM 0 HB1 ALA D 29 8.546 -6.833 5.594 1.00 99.99 H new ATOM 0 HB2 ALA D 29 8.859 -6.901 7.345 1.00 99.99 H new ATOM 0 HB3 ALA D 29 7.187 -6.818 6.742 1.00 99.99 H new ATOM 1321 N ALA D 30 6.106 -4.442 5.790 1.00 99.99 N ATOM 1322 CA ALA D 30 5.104 -4.012 4.822 1.00 99.99 C ATOM 1323 C ALA D 30 5.312 -2.541 4.499 1.00 99.99 C ATOM 1324 O ALA D 30 5.115 -2.156 3.372 1.00 99.99 O ATOM 1325 CB ALA D 30 3.670 -4.138 5.354 1.00 99.99 C ATOM 0 H ALA D 30 5.720 -4.726 6.690 1.00 99.99 H new ATOM 0 HA ALA D 30 5.224 -4.656 3.951 1.00 99.99 H new ATOM 0 HB1 ALA D 30 2.968 -3.804 4.590 1.00 99.99 H new ATOM 0 HB2 ALA D 30 3.465 -5.179 5.605 1.00 99.99 H new ATOM 0 HB3 ALA D 30 3.557 -3.521 6.246 1.00 99.99 H new ATOM 1331 N SER D 31 5.685 -1.802 5.449 1.00 99.99 N ATOM 1332 CA SER D 31 5.899 -0.368 5.287 1.00 99.99 C ATOM 1333 C SER D 31 6.990 -0.137 4.252 1.00 99.99 C ATOM 1334 O SER D 31 6.819 0.693 3.395 1.00 99.99 O ATOM 1335 CB SER D 31 6.370 0.316 6.576 1.00 99.99 C ATOM 1336 OG SER D 31 5.354 0.270 7.576 1.00 99.99 O ATOM 0 H SER D 31 5.864 -2.145 6.393 1.00 99.99 H new ATOM 0 HA SER D 31 4.939 0.053 4.990 1.00 99.99 H new ATOM 0 HB2 SER D 31 7.271 -0.174 6.944 1.00 99.99 H new ATOM 0 HB3 SER D 31 6.634 1.353 6.367 1.00 99.99 H new ATOM 0 HG SER D 31 5.216 -0.658 7.860 1.00 99.99 H new ATOM 1342 N ILE D 32 8.033 -0.839 4.365 1.00 99.99 N ATOM 1343 CA ILE D 32 9.167 -0.704 3.460 1.00 99.99 C ATOM 1344 C ILE D 32 8.746 -1.113 2.056 1.00 99.99 C ATOM 1345 O ILE D 32 9.175 -0.500 1.114 1.00 99.99 O ATOM 1346 CB ILE D 32 10.346 -1.611 3.840 1.00 99.99 C ATOM 1347 CG1 ILE D 32 10.937 -1.175 5.199 1.00 99.99 C ATOM 1348 CG2 ILE D 32 11.440 -1.577 2.752 1.00 99.99 C ATOM 1349 CD1 ILE D 32 11.869 -2.228 5.813 1.00 99.99 C ATOM 0 H ILE D 32 8.161 -1.546 5.089 1.00 99.99 H new ATOM 0 HA ILE D 32 9.481 0.338 3.519 1.00 99.99 H new ATOM 0 HB ILE D 32 9.977 -2.633 3.923 1.00 99.99 H new ATOM 0 HG12 ILE D 32 11.487 -0.243 5.068 1.00 99.99 H new ATOM 0 HG13 ILE D 32 10.123 -0.969 5.894 1.00 99.99 H new ATOM 0 HG21 ILE D 32 12.264 -2.227 3.044 1.00 99.99 H new ATOM 0 HG22 ILE D 32 11.023 -1.923 1.806 1.00 99.99 H new ATOM 0 HG23 ILE D 32 11.806 -0.557 2.636 1.00 99.99 H new ATOM 0 HD11 ILE D 32 12.252 -1.863 6.766 1.00 99.99 H new ATOM 0 HD12 ILE D 32 11.316 -3.153 5.974 1.00 99.99 H new ATOM 0 HD13 ILE D 32 12.702 -2.416 5.135 1.00 99.99 H new ATOM 1361 N ILE D 33 7.958 -2.094 1.970 1.00 99.99 N ATOM 1362 CA ILE D 33 7.493 -2.613 0.688 1.00 99.99 C ATOM 1363 C ILE D 33 6.713 -1.527 -0.041 1.00 99.99 C ATOM 1364 O ILE D 33 6.944 -1.322 -1.205 1.00 99.99 O ATOM 1365 CB ILE D 33 6.537 -3.804 0.834 1.00 99.99 C ATOM 1366 CG1 ILE D 33 7.379 -5.090 1.030 1.00 99.99 C ATOM 1367 CG2 ILE D 33 5.593 -3.944 -0.373 1.00 99.99 C ATOM 1368 CD1 ILE D 33 6.595 -6.295 1.562 1.00 99.99 C ATOM 0 H ILE D 33 7.590 -2.594 2.779 1.00 99.99 H new ATOM 0 HA ILE D 33 8.384 -2.932 0.148 1.00 99.99 H new ATOM 0 HB ILE D 33 5.899 -3.637 1.702 1.00 99.99 H new ATOM 0 HG12 ILE D 33 7.831 -5.361 0.076 1.00 99.99 H new ATOM 0 HG13 ILE D 33 8.195 -4.872 1.719 1.00 99.99 H new ATOM 0 HG21 ILE D 33 4.936 -4.801 -0.223 1.00 99.99 H new ATOM 0 HG22 ILE D 33 4.993 -3.039 -0.473 1.00 99.99 H new ATOM 0 HG23 ILE D 33 6.180 -4.091 -1.279 1.00 99.99 H new ATOM 0 HD11 ILE D 33 7.266 -7.148 1.667 1.00 99.99 H new ATOM 0 HD12 ILE D 33 6.165 -6.049 2.533 1.00 99.99 H new ATOM 0 HD13 ILE D 33 5.796 -6.546 0.865 1.00 99.99 H new ATOM 1380 N GLY D 34 5.855 -0.898 0.638 1.00 99.99 N ATOM 1381 CA GLY D 34 5.020 0.151 0.060 1.00 99.99 C ATOM 1382 C GLY D 34 5.897 1.317 -0.362 1.00 99.99 C ATOM 1383 O GLY D 34 5.627 1.917 -1.372 1.00 99.99 O ATOM 0 H GLY D 34 5.681 -1.071 1.628 1.00 99.99 H new ATOM 0 HA2 GLY D 34 4.473 -0.236 -0.799 1.00 99.99 H new ATOM 0 HA3 GLY D 34 4.279 0.483 0.787 1.00 99.99 H new ATOM 1387 N ILE D 35 7.166 1.281 0.012 1.00 99.99 N ATOM 1388 CA ILE D 35 8.040 2.326 -0.514 1.00 99.99 C ATOM 1389 C ILE D 35 8.751 1.812 -1.755 1.00 99.99 C ATOM 1390 O ILE D 35 8.809 2.518 -2.730 1.00 99.99 O ATOM 1391 CB ILE D 35 9.138 2.740 0.475 1.00 99.99 C ATOM 1392 CG1 ILE D 35 8.509 3.270 1.788 1.00 99.99 C ATOM 1393 CG2 ILE D 35 10.039 3.817 -0.165 1.00 99.99 C ATOM 1394 CD1 ILE D 35 9.488 3.417 2.957 1.00 99.99 C ATOM 0 H ILE D 35 7.595 0.594 0.632 1.00 99.99 H new ATOM 0 HA ILE D 35 7.400 3.184 -0.720 1.00 99.99 H new ATOM 0 HB ILE D 35 9.747 1.868 0.715 1.00 99.99 H new ATOM 0 HG12 ILE D 35 8.053 4.240 1.590 1.00 99.99 H new ATOM 0 HG13 ILE D 35 7.706 2.596 2.087 1.00 99.99 H new ATOM 0 HG21 ILE D 35 10.817 4.107 0.541 1.00 99.99 H new ATOM 0 HG22 ILE D 35 10.500 3.416 -1.068 1.00 99.99 H new ATOM 0 HG23 ILE D 35 9.438 4.689 -0.421 1.00 99.99 H new ATOM 0 HD11 ILE D 35 8.957 3.794 3.831 1.00 99.99 H new ATOM 0 HD12 ILE D 35 9.926 2.446 3.189 1.00 99.99 H new ATOM 0 HD13 ILE D 35 10.279 4.116 2.684 1.00 99.99 H new ATOM 1406 N LEU D 36 9.247 0.655 -1.683 1.00 99.99 N ATOM 1407 CA LEU D 36 9.981 0.049 -2.789 1.00 99.99 C ATOM 1408 C LEU D 36 9.066 -0.057 -4.000 1.00 99.99 C ATOM 1409 O LEU D 36 9.494 0.244 -5.085 1.00 99.99 O ATOM 1410 CB LEU D 36 10.457 -1.376 -2.480 1.00 99.99 C ATOM 1411 CG LEU D 36 11.124 -2.122 -3.655 1.00 99.99 C ATOM 1412 CD1 LEU D 36 12.413 -1.417 -4.099 1.00 99.99 C ATOM 1413 CD2 LEU D 36 11.400 -3.587 -3.291 1.00 99.99 C ATOM 0 H LEU D 36 9.175 0.061 -0.857 1.00 99.99 H new ATOM 0 HA LEU D 36 10.848 0.686 -2.967 1.00 99.99 H new ATOM 0 HB2 LEU D 36 11.164 -1.333 -1.651 1.00 99.99 H new ATOM 0 HB3 LEU D 36 9.602 -1.960 -2.140 1.00 99.99 H new ATOM 0 HG LEU D 36 10.429 -2.108 -4.494 1.00 99.99 H new ATOM 0 HD11 LEU D 36 12.861 -1.965 -4.928 1.00 99.99 H new ATOM 0 HD12 LEU D 36 12.180 -0.401 -4.419 1.00 99.99 H new ATOM 0 HD13 LEU D 36 13.115 -1.383 -3.266 1.00 99.99 H new ATOM 0 HD21 LEU D 36 11.870 -4.090 -4.136 1.00 99.99 H new ATOM 0 HD22 LEU D 36 12.065 -3.629 -2.428 1.00 99.99 H new ATOM 0 HD23 LEU D 36 10.461 -4.085 -3.049 1.00 99.99 H new ATOM 1425 N HIS D 37 7.803 -0.506 -3.815 1.00 99.99 N ATOM 1426 CA HIS D 37 6.835 -0.708 -4.866 1.00 99.99 C ATOM 1427 C HIS D 37 6.537 0.596 -5.555 1.00 99.99 C ATOM 1428 O HIS D 37 6.190 0.618 -6.734 1.00 99.99 O ATOM 1429 CB HIS D 37 5.516 -1.296 -4.310 1.00 99.99 C ATOM 1430 CG HIS D 37 4.528 -1.710 -5.370 1.00 99.99 C ATOM 1431 ND1 HIS D 37 3.206 -1.937 -5.094 1.00 99.99 N ATOM 1432 CD2 HIS D 37 4.712 -1.981 -6.684 1.00 99.99 C ATOM 1433 CE1 HIS D 37 2.607 -2.323 -6.213 1.00 99.99 C ATOM 1434 NE2 HIS D 37 3.499 -2.357 -7.192 1.00 99.99 N ATOM 0 H HIS D 37 7.439 -0.739 -2.891 1.00 99.99 H new ATOM 0 HA HIS D 37 7.263 -1.415 -5.576 1.00 99.99 H new ATOM 0 HB2 HIS D 37 5.750 -2.161 -3.690 1.00 99.99 H new ATOM 0 HB3 HIS D 37 5.047 -0.556 -3.661 1.00 99.99 H new ATOM 0 HD2 HIS D 37 5.642 -1.913 -7.229 1.00 99.99 H new ATOM 0 HE1 HIS D 37 1.560 -2.570 -6.310 1.00 99.99 H new ATOM 0 HE2 HIS D 37 3.313 -2.619 -8.160 1.00 99.99 H new ATOM 1442 N LEU D 38 6.713 1.722 -4.822 1.00 99.99 N ATOM 1443 CA LEU D 38 6.482 3.061 -5.349 1.00 99.99 C ATOM 1444 C LEU D 38 7.598 3.421 -6.319 1.00 99.99 C ATOM 1445 O LEU D 38 7.318 3.943 -7.367 1.00 99.99 O ATOM 1446 CB LEU D 38 6.490 4.144 -4.260 1.00 99.99 C ATOM 1447 CG LEU D 38 6.270 5.574 -4.810 1.00 99.99 C ATOM 1448 CD1 LEU D 38 4.931 5.700 -5.549 1.00 99.99 C ATOM 1449 CD2 LEU D 38 6.377 6.635 -3.715 1.00 99.99 C ATOM 0 H LEU D 38 7.020 1.712 -3.849 1.00 99.99 H new ATOM 0 HA LEU D 38 5.501 3.036 -5.823 1.00 99.99 H new ATOM 0 HB2 LEU D 38 5.712 3.920 -3.530 1.00 99.99 H new ATOM 0 HB3 LEU D 38 7.442 4.109 -3.731 1.00 99.99 H new ATOM 0 HG LEU D 38 7.072 5.753 -5.526 1.00 99.99 H new ATOM 0 HD11 LEU D 38 4.814 6.718 -5.920 1.00 99.99 H new ATOM 0 HD12 LEU D 38 4.911 5.004 -6.388 1.00 99.99 H new ATOM 0 HD13 LEU D 38 4.115 5.467 -4.865 1.00 99.99 H new ATOM 0 HD21 LEU D 38 6.216 7.622 -4.148 1.00 99.99 H new ATOM 0 HD22 LEU D 38 5.623 6.446 -2.951 1.00 99.99 H new ATOM 0 HD23 LEU D 38 7.369 6.594 -3.264 1.00 99.99 H new ATOM 1461 N ILE D 39 8.772 3.146 -5.953 1.00 99.99 N ATOM 1462 CA ILE D 39 9.939 3.460 -6.770 1.00 99.99 C ATOM 1463 C ILE D 39 9.871 2.665 -8.065 1.00 99.99 C ATOM 1464 O ILE D 39 10.140 3.215 -9.105 1.00 99.99 O ATOM 1465 CB ILE D 39 11.263 3.075 -6.095 1.00 99.99 C ATOM 1466 CG1 ILE D 39 11.501 3.970 -4.859 1.00 99.99 C ATOM 1467 CG2 ILE D 39 12.432 3.210 -7.094 1.00 99.99 C ATOM 1468 CD1 ILE D 39 12.707 3.545 -4.010 1.00 99.99 C ATOM 0 H ILE D 39 8.994 2.689 -5.069 1.00 99.99 H new ATOM 0 HA ILE D 39 9.920 4.538 -6.932 1.00 99.99 H new ATOM 0 HB ILE D 39 11.208 2.036 -5.771 1.00 99.99 H new ATOM 0 HG12 ILE D 39 11.645 4.999 -5.189 1.00 99.99 H new ATOM 0 HG13 ILE D 39 10.607 3.958 -4.235 1.00 99.99 H new ATOM 0 HG21 ILE D 39 13.365 2.934 -6.602 1.00 99.99 H new ATOM 0 HG22 ILE D 39 12.261 2.550 -7.945 1.00 99.99 H new ATOM 0 HG23 ILE D 39 12.496 4.241 -7.441 1.00 99.99 H new ATOM 0 HD11 ILE D 39 12.810 4.220 -3.161 1.00 99.99 H new ATOM 0 HD12 ILE D 39 12.557 2.528 -3.649 1.00 99.99 H new ATOM 0 HD13 ILE D 39 13.611 3.585 -4.617 1.00 99.99 H new ATOM 1480 N LEU D 40 9.541 1.453 -7.968 1.00 99.99 N ATOM 1481 CA LEU D 40 9.461 0.568 -9.124 1.00 99.99 C ATOM 1482 C LEU D 40 8.396 1.084 -10.081 1.00 99.99 C ATOM 1483 O LEU D 40 8.635 1.112 -11.262 1.00 99.99 O ATOM 1484 CB LEU D 40 9.053 -0.864 -8.755 1.00 99.99 C ATOM 1485 CG LEU D 40 10.118 -1.684 -7.993 1.00 99.99 C ATOM 1486 CD1 LEU D 40 9.529 -3.051 -7.592 1.00 99.99 C ATOM 1487 CD2 LEU D 40 11.398 -1.887 -8.815 1.00 99.99 C ATOM 0 H LEU D 40 9.307 1.002 -7.083 1.00 99.99 H new ATOM 0 HA LEU D 40 10.457 0.554 -9.566 1.00 99.99 H new ATOM 0 HB2 LEU D 40 8.150 -0.820 -8.147 1.00 99.99 H new ATOM 0 HB3 LEU D 40 8.796 -1.397 -9.670 1.00 99.99 H new ATOM 0 HG LEU D 40 10.393 -1.118 -7.103 1.00 99.99 H new ATOM 0 HD11 LEU D 40 10.282 -3.628 -7.055 1.00 99.99 H new ATOM 0 HD12 LEU D 40 8.661 -2.899 -6.950 1.00 99.99 H new ATOM 0 HD13 LEU D 40 9.227 -3.594 -8.488 1.00 99.99 H new ATOM 0 HD21 LEU D 40 12.114 -2.469 -8.235 1.00 99.99 H new ATOM 0 HD22 LEU D 40 11.159 -2.419 -9.736 1.00 99.99 H new ATOM 0 HD23 LEU D 40 11.831 -0.917 -9.059 1.00 99.99 H new ATOM 1499 N TRP D 41 7.305 1.453 -9.566 1.00 99.99 N ATOM 1500 CA TRP D 41 6.189 1.942 -10.366 1.00 99.99 C ATOM 1501 C TRP D 41 6.570 3.274 -10.995 1.00 99.99 C ATOM 1502 O TRP D 41 6.285 3.481 -12.148 1.00 99.99 O ATOM 1503 CB TRP D 41 4.925 2.200 -9.534 1.00 99.99 C ATOM 1504 CG TRP D 41 3.717 2.609 -10.358 1.00 99.99 C ATOM 1505 CD1 TRP D 41 2.915 1.796 -11.098 1.00 99.99 C ATOM 1506 CD2 TRP D 41 3.268 3.955 -10.591 1.00 99.99 C ATOM 1507 NE1 TRP D 41 1.941 2.528 -11.715 1.00 99.99 N ATOM 1508 CE2 TRP D 41 2.160 3.859 -11.454 1.00 99.99 C ATOM 1509 CE3 TRP D 41 3.726 5.189 -10.119 1.00 99.99 C ATOM 1510 CZ2 TRP D 41 1.473 4.996 -11.853 1.00 99.99 C ATOM 1511 CZ3 TRP D 41 3.037 6.331 -10.535 1.00 99.99 C ATOM 1512 CH2 TRP D 41 1.924 6.243 -11.389 1.00 99.99 C ATOM 0 H TRP D 41 7.122 1.438 -8.563 1.00 99.99 H new ATOM 0 HA TRP D 41 5.979 1.169 -11.105 1.00 99.99 H new ATOM 0 HB2 TRP D 41 4.681 1.298 -8.973 1.00 99.99 H new ATOM 0 HB3 TRP D 41 5.136 2.982 -8.804 1.00 99.99 H new ATOM 0 HD1 TRP D 41 3.032 0.726 -11.185 1.00 99.99 H new ATOM 0 HE1 TRP D 41 1.178 2.150 -12.276 1.00 99.99 H new ATOM 0 HE3 TRP D 41 4.578 5.257 -9.459 1.00 99.99 H new ATOM 0 HZ2 TRP D 41 0.614 4.925 -12.503 1.00 99.99 H new ATOM 0 HZ3 TRP D 41 3.366 7.301 -10.193 1.00 99.99 H new ATOM 0 HH2 TRP D 41 1.410 7.143 -11.692 1.00 99.99 H new ATOM 1523 N ILE D 42 7.165 4.101 -10.249 1.00 99.99 N ATOM 1524 CA ILE D 42 7.564 5.426 -10.713 1.00 99.99 C ATOM 1525 C ILE D 42 8.657 5.282 -11.761 1.00 99.99 C ATOM 1526 O ILE D 42 8.608 5.963 -12.755 1.00 99.99 O ATOM 1527 CB ILE D 42 8.148 6.298 -9.596 1.00 99.99 C ATOM 1528 CG1 ILE D 42 7.031 6.728 -8.617 1.00 99.99 C ATOM 1529 CG2 ILE D 42 8.853 7.542 -10.181 1.00 99.99 C ATOM 1530 CD1 ILE D 42 7.543 7.528 -7.409 1.00 99.99 C ATOM 0 H ILE D 42 7.410 3.910 -9.277 1.00 99.99 H new ATOM 0 HA ILE D 42 6.663 5.899 -11.103 1.00 99.99 H new ATOM 0 HB ILE D 42 8.888 5.710 -9.054 1.00 99.99 H new ATOM 0 HG12 ILE D 42 6.299 7.329 -9.156 1.00 99.99 H new ATOM 0 HG13 ILE D 42 6.512 5.839 -8.259 1.00 99.99 H new ATOM 0 HG21 ILE D 42 9.259 8.145 -9.369 1.00 99.99 H new ATOM 0 HG22 ILE D 42 9.663 7.226 -10.839 1.00 99.99 H new ATOM 0 HG23 ILE D 42 8.135 8.134 -10.749 1.00 99.99 H new ATOM 0 HD11 ILE D 42 6.703 7.795 -6.767 1.00 99.99 H new ATOM 0 HD12 ILE D 42 8.252 6.922 -6.846 1.00 99.99 H new ATOM 0 HD13 ILE D 42 8.037 8.436 -7.756 1.00 99.99 H new ATOM 1542 N LEU D 43 9.570 4.447 -11.515 1.00 99.99 N ATOM 1543 CA LEU D 43 10.692 4.229 -12.421 1.00 99.99 C ATOM 1544 C LEU D 43 10.176 3.653 -13.732 1.00 99.99 C ATOM 1545 O LEU D 43 10.703 3.983 -14.764 1.00 99.99 O ATOM 1546 CB LEU D 43 11.710 3.219 -11.876 1.00 99.99 C ATOM 1547 CG LEU D 43 12.520 3.723 -10.658 1.00 99.99 C ATOM 1548 CD1 LEU D 43 13.308 2.562 -10.025 1.00 99.99 C ATOM 1549 CD2 LEU D 43 13.478 4.864 -11.036 1.00 99.99 C ATOM 0 H LEU D 43 9.594 3.868 -10.676 1.00 99.99 H new ATOM 0 HA LEU D 43 11.177 5.197 -12.547 1.00 99.99 H new ATOM 0 HB2 LEU D 43 11.184 2.307 -11.595 1.00 99.99 H new ATOM 0 HB3 LEU D 43 12.404 2.954 -12.674 1.00 99.99 H new ATOM 0 HG LEU D 43 11.807 4.116 -9.933 1.00 99.99 H new ATOM 0 HD11 LEU D 43 13.874 2.930 -9.169 1.00 99.99 H new ATOM 0 HD12 LEU D 43 12.614 1.788 -9.696 1.00 99.99 H new ATOM 0 HD13 LEU D 43 13.995 2.144 -10.761 1.00 99.99 H new ATOM 0 HD21 LEU D 43 14.026 5.187 -10.151 1.00 99.99 H new ATOM 0 HD22 LEU D 43 14.182 4.513 -11.791 1.00 99.99 H new ATOM 0 HD23 LEU D 43 12.906 5.702 -11.435 1.00 99.99 H new ATOM 1561 N ASP D 44 9.215 2.840 -13.652 1.00 99.99 N ATOM 1562 CA ASP D 44 8.641 2.193 -14.823 1.00 99.99 C ATOM 1563 C ASP D 44 7.972 3.242 -15.702 1.00 99.99 C ATOM 1564 O ASP D 44 8.091 3.166 -16.899 1.00 99.99 O ATOM 1565 CB ASP D 44 7.553 1.169 -14.470 1.00 99.99 C ATOM 1566 CG ASP D 44 7.016 0.428 -15.710 1.00 99.99 C ATOM 1567 OD1 ASP D 44 7.792 -0.343 -16.325 1.00 99.99 O ATOM 1568 OD2 ASP D 44 5.803 0.577 -16.043 1.00 99.99 O ATOM 0 H ASP D 44 8.771 2.576 -12.772 1.00 99.99 H new ATOM 0 HA ASP D 44 9.465 1.684 -15.323 1.00 99.99 H new ATOM 0 HB2 ASP D 44 7.957 0.444 -13.764 1.00 99.99 H new ATOM 0 HB3 ASP D 44 6.729 1.677 -13.969 1.00 99.99 H new ATOM 1573 N ARG D 45 7.316 4.140 -15.108 1.00 99.99 N ATOM 1574 CA ARG D 45 6.606 5.194 -15.824 1.00 99.99 C ATOM 1575 C ARG D 45 7.607 6.053 -16.582 1.00 99.99 C ATOM 1576 O ARG D 45 7.354 6.388 -17.711 1.00 99.99 O ATOM 1577 CB ARG D 45 5.844 6.142 -14.890 1.00 99.99 C ATOM 1578 CG ARG D 45 4.690 5.463 -14.122 1.00 99.99 C ATOM 1579 CD ARG D 45 3.456 5.200 -14.996 1.00 99.99 C ATOM 1580 NE ARG D 45 3.552 3.804 -15.554 1.00 99.99 N ATOM 1581 CZ ARG D 45 2.877 3.447 -16.663 1.00 99.99 C ATOM 1582 NH1 ARG D 45 2.071 4.311 -17.305 1.00 99.99 N ATOM 1583 NH2 ARG D 45 2.998 2.184 -17.104 1.00 99.99 N ATOM 0 H ARG D 45 7.232 4.198 -14.093 1.00 99.99 H new ATOM 0 HA ARG D 45 5.898 4.691 -16.482 1.00 99.99 H new ATOM 0 HB2 ARG D 45 6.544 6.570 -14.172 1.00 99.99 H new ATOM 0 HB3 ARG D 45 5.442 6.969 -15.475 1.00 99.99 H new ATOM 0 HG2 ARG D 45 5.043 4.518 -13.709 1.00 99.99 H new ATOM 0 HG3 ARG D 45 4.403 6.092 -13.279 1.00 99.99 H new ATOM 0 HD2 ARG D 45 2.545 5.311 -14.408 1.00 99.99 H new ATOM 0 HD3 ARG D 45 3.403 5.928 -15.805 1.00 99.99 H new ATOM 0 HE ARG D 45 4.140 3.116 -15.083 1.00 99.99 H new ATOM 0 HH11 ARG D 45 1.960 5.262 -16.954 1.00 99.99 H new ATOM 0 HH12 ARG D 45 1.571 4.015 -18.143 1.00 99.99 H new ATOM 0 HH21 ARG D 45 3.590 1.523 -16.601 1.00 99.99 H new ATOM 0 HH22 ARG D 45 2.498 1.886 -17.942 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 10.358 6.455 -17.700 1.00 99.99 C ATOM 1600 O LEU D 46 11.041 5.455 -17.485 1.00 99.99 O ATOM 1601 CB LEU D 46 10.810 7.574 -15.573 1.00 99.99 C ATOM 1602 CG LEU D 46 10.406 8.348 -14.294 1.00 99.99 C ATOM 1603 CD1 LEU D 46 11.621 8.391 -13.347 1.00 99.99 C ATOM 1604 CD2 LEU D 46 9.904 9.768 -14.576 1.00 99.99 C ATOM 0 H LEU D 46 8.867 6.068 -15.011 1.00 99.99 H new ATOM 0 HA LEU D 46 9.193 8.120 -16.888 1.00 99.99 H new ATOM 0 HB2 LEU D 46 11.304 6.652 -15.267 1.00 99.99 H new ATOM 0 HB3 LEU D 46 11.550 8.170 -16.108 1.00 99.99 H new ATOM 0 HG LEU D 46 9.569 7.821 -13.836 1.00 99.99 H new ATOM 0 HD11 LEU D 46 11.356 8.933 -12.439 1.00 99.99 H new ATOM 0 HD12 LEU D 46 11.918 7.374 -13.089 1.00 99.99 H new ATOM 0 HD13 LEU D 46 12.450 8.896 -13.842 1.00 99.99 H new ATOM 0 HD21 LEU D 46 9.638 10.253 -13.637 1.00 99.99 H new ATOM 0 HD22 LEU D 46 10.689 10.340 -15.070 1.00 99.99 H new ATOM 0 HD23 LEU D 46 9.027 9.722 -15.222 1.00 99.99 H new