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 67:sc= 0.321 USER MOD Single : A 37 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.35) 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= 0.325 USER MOD Single : B 37 HIS : no HD1:sc= -0.0988 X(o=-0.099,f=-0.36) 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= 0.323 USER MOD Single : C 37 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.36) 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= 0.319 USER MOD Single : D 37 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 22 0.595 10.410 18.982 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 1.442 7.868 18.466 1.00 99.99 O ATOM 5 CB SER A 22 2.515 11.011 17.462 1.00 99.99 C ATOM 6 OG SER A 22 3.538 10.779 18.428 1.00 99.99 O ATOM 0 HA SER A 22 0.532 10.358 16.895 1.00 99.99 H new ATOM 0 HB2 SER A 22 2.917 10.829 16.465 1.00 99.99 H new ATOM 0 HB3 SER A 22 2.220 12.060 17.500 1.00 99.99 H new ATOM 0 HG SER A 22 4.302 11.365 18.243 1.00 99.99 H new ATOM 11 N SER A 23 2.075 8.274 16.325 1.00 99.99 N ATOM 12 CA SER A 23 2.553 6.944 16.032 1.00 99.99 C ATOM 13 C SER A 23 3.977 7.116 15.566 1.00 99.99 C ATOM 14 O SER A 23 4.567 8.182 15.743 1.00 99.99 O ATOM 15 CB SER A 23 1.699 6.223 14.961 1.00 99.99 C ATOM 16 OG SER A 23 0.369 6.043 15.431 1.00 99.99 O ATOM 0 H SER A 23 2.134 8.908 15.528 1.00 99.99 H new ATOM 0 HA SER A 23 2.485 6.312 16.917 1.00 99.99 H new ATOM 0 HB2 SER A 23 1.691 6.805 14.040 1.00 99.99 H new ATOM 0 HB3 SER A 23 2.142 5.256 14.723 1.00 99.99 H new ATOM 0 HG SER A 23 -0.162 5.588 14.744 1.00 99.99 H new ATOM 22 N ASP A 24 4.578 6.049 14.979 1.00 99.99 N ATOM 23 CA ASP A 24 5.982 6.013 14.611 1.00 99.99 C ATOM 24 C ASP A 24 6.133 6.604 13.226 1.00 99.99 C ATOM 25 O ASP A 24 5.190 6.504 12.449 1.00 99.99 O ATOM 26 CB ASP A 24 6.544 4.564 14.589 1.00 99.99 C ATOM 27 CG ASP A 24 6.478 3.912 15.973 1.00 99.99 C ATOM 28 OD1 ASP A 24 6.397 4.648 16.995 1.00 99.99 O ATOM 29 OD2 ASP A 24 6.521 2.654 16.024 1.00 99.99 O ATOM 0 H ASP A 24 4.079 5.189 14.753 1.00 99.99 H new ATOM 0 HA ASP A 24 6.539 6.582 15.355 1.00 99.99 H new ATOM 0 HB2 ASP A 24 5.978 3.964 13.876 1.00 99.99 H new ATOM 0 HB3 ASP A 24 7.577 4.579 14.242 1.00 99.99 H new ATOM 34 N PRO A 25 7.244 7.241 12.848 1.00 99.99 N ATOM 35 CA PRO A 25 7.292 8.113 11.683 1.00 99.99 C ATOM 36 C PRO A 25 7.304 7.351 10.377 1.00 99.99 C ATOM 37 O PRO A 25 6.885 7.932 9.389 1.00 99.99 O ATOM 38 CB PRO A 25 8.588 8.922 11.856 1.00 99.99 C ATOM 39 CG PRO A 25 9.460 8.053 12.765 1.00 99.99 C ATOM 40 CD PRO A 25 8.431 7.401 13.685 1.00 99.99 C ATOM 0 HA PRO A 25 6.402 8.740 11.630 1.00 99.99 H new ATOM 0 HB2 PRO A 25 9.073 9.106 10.897 1.00 99.99 H new ATOM 0 HB3 PRO A 25 8.392 9.895 12.306 1.00 99.99 H new ATOM 0 HG2 PRO A 25 10.025 7.313 12.199 1.00 99.99 H new ATOM 0 HG3 PRO A 25 10.184 8.648 13.322 1.00 99.99 H new ATOM 0 HD2 PRO A 25 8.785 6.441 14.060 1.00 99.99 H new ATOM 0 HD3 PRO A 25 8.223 8.025 14.554 1.00 99.99 H new ATOM 48 N LEU A 26 7.781 6.085 10.355 1.00 99.99 N ATOM 49 CA LEU A 26 7.768 5.149 9.238 1.00 99.99 C ATOM 50 C LEU A 26 6.340 4.695 8.977 1.00 99.99 C ATOM 51 O LEU A 26 5.945 4.630 7.840 1.00 99.99 O ATOM 52 CB LEU A 26 8.582 3.877 9.513 1.00 99.99 C ATOM 53 CG LEU A 26 8.444 2.738 8.477 1.00 99.99 C ATOM 54 CD1 LEU A 26 8.974 3.128 7.095 1.00 99.99 C ATOM 55 CD2 LEU A 26 9.143 1.470 8.986 1.00 99.99 C ATOM 0 H LEU A 26 8.213 5.674 11.183 1.00 99.99 H new ATOM 0 HA LEU A 26 8.205 5.679 8.392 1.00 99.99 H new ATOM 0 HB2 LEU A 26 9.634 4.152 9.581 1.00 99.99 H new ATOM 0 HB3 LEU A 26 8.291 3.489 10.489 1.00 99.99 H new ATOM 0 HG LEU A 26 7.379 2.540 8.359 1.00 99.99 H new ATOM 0 HD11 LEU A 26 8.851 2.290 6.409 1.00 99.99 H new ATOM 0 HD12 LEU A 26 8.418 3.988 6.721 1.00 99.99 H new ATOM 0 HD13 LEU A 26 10.031 3.384 7.170 1.00 99.99 H new ATOM 0 HD21 LEU A 26 9.038 0.675 8.247 1.00 99.99 H new ATOM 0 HD22 LEU A 26 10.201 1.678 9.148 1.00 99.99 H new ATOM 0 HD23 LEU A 26 8.687 1.155 9.925 1.00 99.99 H new ATOM 67 N VAL A 27 5.648 4.403 9.991 1.00 99.99 N ATOM 68 CA VAL A 27 4.271 3.931 9.887 1.00 99.99 C ATOM 69 C VAL A 27 3.387 5.062 9.383 1.00 99.99 C ATOM 70 O VAL A 27 2.595 4.838 8.503 1.00 99.99 O ATOM 71 CB VAL A 27 3.687 3.493 11.237 1.00 99.99 C ATOM 72 CG1 VAL A 27 2.199 3.119 11.092 1.00 99.99 C ATOM 73 CG2 VAL A 27 4.472 2.273 11.768 1.00 99.99 C ATOM 0 H VAL A 27 5.993 4.473 10.948 1.00 99.99 H new ATOM 0 HA VAL A 27 4.291 3.077 9.210 1.00 99.99 H new ATOM 0 HB VAL A 27 3.772 4.324 11.938 1.00 99.99 H new ATOM 0 HG11 VAL A 27 1.805 2.812 12.061 1.00 99.99 H new ATOM 0 HG12 VAL A 27 1.640 3.982 10.731 1.00 99.99 H new ATOM 0 HG13 VAL A 27 2.098 2.298 10.382 1.00 99.99 H new ATOM 0 HG21 VAL A 27 4.057 1.962 12.727 1.00 99.99 H new ATOM 0 HG22 VAL A 27 4.394 1.452 11.056 1.00 99.99 H new ATOM 0 HG23 VAL A 27 5.520 2.543 11.897 1.00 99.99 H new ATOM 83 N VAL A 28 3.538 6.186 9.937 1.00 99.99 N ATOM 84 CA VAL A 28 2.739 7.351 9.572 1.00 99.99 C ATOM 85 C VAL A 28 3.130 7.809 8.175 1.00 99.99 C ATOM 86 O VAL A 28 2.263 8.114 7.395 1.00 99.99 O ATOM 87 CB VAL A 28 2.969 8.548 10.503 1.00 99.99 C ATOM 88 CG1 VAL A 28 2.247 9.808 9.983 1.00 99.99 C ATOM 89 CG2 VAL A 28 2.480 8.204 11.924 1.00 99.99 C ATOM 0 H VAL A 28 4.221 6.365 10.673 1.00 99.99 H new ATOM 0 HA VAL A 28 1.696 7.042 9.639 1.00 99.99 H new ATOM 0 HB VAL A 28 4.038 8.761 10.529 1.00 99.99 H new ATOM 0 HG11 VAL A 28 2.429 10.639 10.664 1.00 99.99 H new ATOM 0 HG12 VAL A 28 2.625 10.061 8.993 1.00 99.99 H new ATOM 0 HG13 VAL A 28 1.176 9.615 9.924 1.00 99.99 H new ATOM 0 HG21 VAL A 28 2.645 9.057 12.582 1.00 99.99 H new ATOM 0 HG22 VAL A 28 1.416 7.968 11.896 1.00 99.99 H new ATOM 0 HG23 VAL A 28 3.032 7.343 12.300 1.00 99.99 H new ATOM 99 N ALA A 29 4.364 7.851 7.919 1.00 99.99 N ATOM 100 CA ALA A 29 4.880 8.298 6.629 1.00 99.99 C ATOM 101 C ALA A 29 4.379 7.364 5.537 1.00 99.99 C ATOM 102 O ALA A 29 4.003 7.837 4.493 1.00 99.99 O ATOM 103 CB ALA A 29 6.412 8.265 6.555 1.00 99.99 C ATOM 0 H ALA A 29 5.088 7.579 8.585 1.00 99.99 H new ATOM 0 HA ALA A 29 4.536 9.324 6.500 1.00 99.99 H new ATOM 0 HB1 ALA A 29 6.736 8.608 5.573 1.00 99.99 H new ATOM 0 HB2 ALA A 29 6.827 8.918 7.323 1.00 99.99 H new ATOM 0 HB3 ALA A 29 6.762 7.246 6.717 1.00 99.99 H new ATOM 109 N ALA A 30 4.395 6.130 5.796 1.00 99.99 N ATOM 110 CA ALA A 30 3.966 5.124 4.832 1.00 99.99 C ATOM 111 C ALA A 30 2.491 5.320 4.519 1.00 99.99 C ATOM 112 O ALA A 30 2.096 5.098 3.401 1.00 99.99 O ATOM 113 CB ALA A 30 4.108 3.691 5.363 1.00 99.99 C ATOM 0 H ALA A 30 4.705 5.745 6.688 1.00 99.99 H new ATOM 0 HA ALA A 30 4.603 5.249 3.957 1.00 99.99 H new ATOM 0 HB1 ALA A 30 3.773 2.986 4.602 1.00 99.99 H new ATOM 0 HB2 ALA A 30 5.152 3.495 5.606 1.00 99.99 H new ATOM 0 HB3 ALA A 30 3.499 3.573 6.259 1.00 99.99 H new ATOM 119 N SER A 31 1.760 5.709 5.469 1.00 99.99 N ATOM 120 CA SER A 31 0.324 5.914 5.317 1.00 99.99 C ATOM 121 C SER A 31 0.079 6.997 4.277 1.00 99.99 C ATOM 122 O SER A 31 -0.758 6.817 3.428 1.00 99.99 O ATOM 123 CB SER A 31 -0.352 6.391 6.608 1.00 99.99 C ATOM 124 OG SER A 31 -0.293 5.382 7.615 1.00 99.99 O ATOM 0 H SER A 31 2.111 5.908 6.406 1.00 99.99 H new ATOM 0 HA SER A 31 -0.094 4.949 5.030 1.00 99.99 H new ATOM 0 HB2 SER A 31 0.137 7.297 6.966 1.00 99.99 H new ATOM 0 HB3 SER A 31 -1.392 6.648 6.406 1.00 99.99 H new ATOM 0 HG SER A 31 0.639 5.244 7.885 1.00 99.99 H new ATOM 130 N ILE A 32 0.778 8.044 4.376 1.00 99.99 N ATOM 131 CA ILE A 32 0.630 9.171 3.464 1.00 99.99 C ATOM 132 C ILE A 32 1.010 8.737 2.057 1.00 99.99 C ATOM 133 O ILE A 32 0.383 9.163 1.122 1.00 99.99 O ATOM 134 CB ILE A 32 1.548 10.349 3.817 1.00 99.99 C ATOM 135 CG1 ILE A 32 1.140 10.953 5.179 1.00 99.99 C ATOM 136 CG2 ILE A 32 1.497 11.435 2.722 1.00 99.99 C ATOM 137 CD1 ILE A 32 2.207 11.886 5.766 1.00 99.99 C ATOM 0 H ILE A 32 1.491 8.180 5.093 1.00 99.99 H new ATOM 0 HA ILE A 32 -0.410 9.490 3.540 1.00 99.99 H new ATOM 0 HB ILE A 32 2.570 9.976 3.883 1.00 99.99 H new ATOM 0 HG12 ILE A 32 0.208 11.506 5.060 1.00 99.99 H new ATOM 0 HG13 ILE A 32 0.944 10.145 5.884 1.00 99.99 H new ATOM 0 HG21 ILE A 32 2.156 12.259 2.996 1.00 99.99 H new ATOM 0 HG22 ILE A 32 1.823 11.010 1.773 1.00 99.99 H new ATOM 0 HG23 ILE A 32 0.476 11.804 2.623 1.00 99.99 H new ATOM 0 HD11 ILE A 32 1.861 12.278 6.722 1.00 99.99 H new ATOM 0 HD12 ILE A 32 3.133 11.331 5.915 1.00 99.99 H new ATOM 0 HD13 ILE A 32 2.386 12.713 5.078 1.00 99.99 H new ATOM 149 N ILE A 33 1.985 7.943 1.958 1.00 99.99 N ATOM 150 CA ILE A 33 2.477 7.464 0.671 1.00 99.99 C ATOM 151 C ILE A 33 1.373 6.687 -0.033 1.00 99.99 C ATOM 152 O ILE A 33 1.146 6.913 -1.194 1.00 99.99 O ATOM 153 CB ILE A 33 3.664 6.501 0.803 1.00 99.99 C ATOM 154 CG1 ILE A 33 4.959 7.335 0.970 1.00 99.99 C ATOM 155 CG2 ILE A 33 3.776 5.548 -0.400 1.00 99.99 C ATOM 156 CD1 ILE A 33 6.168 6.546 1.485 1.00 99.99 C ATOM 0 H ILE A 33 2.499 7.579 2.760 1.00 99.99 H new ATOM 0 HA ILE A 33 2.792 8.349 0.118 1.00 99.99 H new ATOM 0 HB ILE A 33 3.509 5.871 1.679 1.00 99.99 H new ATOM 0 HG12 ILE A 33 5.215 7.779 0.008 1.00 99.99 H new ATOM 0 HG13 ILE A 33 4.759 8.157 1.657 1.00 99.99 H new ATOM 0 HG21 ILE A 33 4.631 4.886 -0.261 1.00 99.99 H new ATOM 0 HG22 ILE A 33 2.866 4.954 -0.479 1.00 99.99 H new ATOM 0 HG23 ILE A 33 3.911 6.128 -1.313 1.00 99.99 H new ATOM 0 HD11 ILE A 33 7.027 7.211 1.570 1.00 99.99 H new ATOM 0 HD12 ILE A 33 5.937 6.124 2.463 1.00 99.99 H new ATOM 0 HD13 ILE A 33 6.400 5.741 0.788 1.00 99.99 H new ATOM 168 N GLY A 34 0.752 5.836 0.662 1.00 99.99 N ATOM 169 CA GLY A 34 -0.313 5.005 0.109 1.00 99.99 C ATOM 170 C GLY A 34 -1.485 5.886 -0.288 1.00 99.99 C ATOM 171 O GLY A 34 -2.108 5.617 -1.284 1.00 99.99 O ATOM 0 H GLY A 34 0.943 5.665 1.649 1.00 99.99 H new ATOM 0 HA2 GLY A 34 0.053 4.455 -0.758 1.00 99.99 H new ATOM 0 HA3 GLY A 34 -0.632 4.266 0.844 1.00 99.99 H new ATOM 175 N ILE A 35 -1.435 7.155 0.083 1.00 99.99 N ATOM 176 CA ILE A 35 -2.489 8.032 -0.420 1.00 99.99 C ATOM 177 C ILE A 35 -1.995 8.752 -1.665 1.00 99.99 C ATOM 178 O ILE A 35 -2.708 8.797 -2.635 1.00 99.99 O ATOM 179 CB ILE A 35 -2.886 9.124 0.582 1.00 99.99 C ATOM 180 CG1 ILE A 35 -3.395 8.487 1.900 1.00 99.99 C ATOM 181 CG2 ILE A 35 -3.974 10.029 -0.034 1.00 99.99 C ATOM 182 CD1 ILE A 35 -3.524 9.458 3.077 1.00 99.99 C ATOM 0 H ILE A 35 -0.732 7.582 0.686 1.00 99.99 H new ATOM 0 HA ILE A 35 -3.350 7.393 -0.615 1.00 99.99 H new ATOM 0 HB ILE A 35 -2.010 9.731 0.810 1.00 99.99 H new ATOM 0 HG12 ILE A 35 -4.368 8.032 1.715 1.00 99.99 H new ATOM 0 HG13 ILE A 35 -2.716 7.683 2.184 1.00 99.99 H new ATOM 0 HG21 ILE A 35 -4.252 10.803 0.682 1.00 99.99 H new ATOM 0 HG22 ILE A 35 -3.589 10.495 -0.941 1.00 99.99 H new ATOM 0 HG23 ILE A 35 -4.851 9.429 -0.279 1.00 99.99 H new ATOM 0 HD11 ILE A 35 -3.887 8.921 3.954 1.00 99.99 H new ATOM 0 HD12 ILE A 35 -2.550 9.895 3.296 1.00 99.99 H new ATOM 0 HD13 ILE A 35 -4.228 10.250 2.820 1.00 99.99 H new ATOM 194 N LEU A 36 -0.846 9.268 -1.599 1.00 99.99 N ATOM 195 CA LEU A 36 -0.260 10.012 -2.710 1.00 99.99 C ATOM 196 C LEU A 36 -0.144 9.097 -3.920 1.00 99.99 C ATOM 197 O LEU A 36 -0.427 9.528 -5.008 1.00 99.99 O ATOM 198 CB LEU A 36 1.158 10.513 -2.409 1.00 99.99 C ATOM 199 CG LEU A 36 1.886 11.192 -3.588 1.00 99.99 C ATOM 200 CD1 LEU A 36 1.155 12.468 -4.030 1.00 99.99 C ATOM 201 CD2 LEU A 36 3.347 11.496 -3.233 1.00 99.99 C ATOM 0 H LEU A 36 -0.246 9.206 -0.777 1.00 99.99 H new ATOM 0 HA LEU A 36 -0.913 10.867 -2.886 1.00 99.99 H new ATOM 0 HB2 LEU A 36 1.107 11.220 -1.581 1.00 99.99 H new ATOM 0 HB3 LEU A 36 1.759 9.669 -2.071 1.00 99.99 H new ATOM 0 HG LEU A 36 1.881 10.495 -4.426 1.00 99.99 H new ATOM 0 HD11 LEU A 36 1.691 12.925 -4.862 1.00 99.99 H new ATOM 0 HD12 LEU A 36 0.142 12.217 -4.345 1.00 99.99 H new ATOM 0 HD13 LEU A 36 1.112 13.170 -3.197 1.00 99.99 H new ATOM 0 HD21 LEU A 36 3.836 11.974 -4.082 1.00 99.99 H new ATOM 0 HD22 LEU A 36 3.381 12.163 -2.372 1.00 99.99 H new ATOM 0 HD23 LEU A 36 3.864 10.567 -2.993 1.00 99.99 H new ATOM 213 N HIS A 37 0.295 7.831 -3.736 1.00 99.99 N ATOM 214 CA HIS A 37 0.507 6.870 -4.792 1.00 99.99 C ATOM 215 C HIS A 37 -0.796 6.556 -5.475 1.00 99.99 C ATOM 216 O HIS A 37 -0.816 6.204 -6.652 1.00 99.99 O ATOM 217 CB HIS A 37 1.120 5.556 -4.249 1.00 99.99 C ATOM 218 CG HIS A 37 1.542 4.583 -5.320 1.00 99.99 C ATOM 219 ND1 HIS A 37 1.787 3.262 -5.058 1.00 99.99 N ATOM 220 CD2 HIS A 37 1.806 4.783 -6.634 1.00 99.99 C ATOM 221 CE1 HIS A 37 2.176 2.678 -6.182 1.00 99.99 C ATOM 222 NE2 HIS A 37 2.195 3.579 -7.154 1.00 99.99 N ATOM 0 H HIS A 37 0.512 7.459 -2.812 1.00 99.99 H new ATOM 0 HA HIS A 37 1.205 7.313 -5.502 1.00 99.99 H new ATOM 0 HB2 HIS A 37 1.986 5.799 -3.633 1.00 99.99 H new ATOM 0 HB3 HIS A 37 0.393 5.070 -3.599 1.00 99.99 H new ATOM 0 HD2 HIS A 37 1.725 5.717 -7.170 1.00 99.99 H new ATOM 0 HE1 HIS A 37 2.436 1.635 -6.289 1.00 99.99 H new ATOM 0 HE2 HIS A 37 2.455 3.404 -8.125 1.00 99.99 H new ATOM 230 N LEU A 38 -1.924 6.720 -4.742 1.00 99.99 N ATOM 231 CA LEU A 38 -3.261 6.483 -5.273 1.00 99.99 C ATOM 232 C LEU A 38 -3.619 7.593 -6.250 1.00 99.99 C ATOM 233 O LEU A 38 -4.131 7.306 -7.302 1.00 99.99 O ATOM 234 CB LEU A 38 -4.348 6.494 -4.189 1.00 99.99 C ATOM 235 CG LEU A 38 -5.775 6.268 -4.744 1.00 99.99 C ATOM 236 CD1 LEU A 38 -5.895 4.925 -5.476 1.00 99.99 C ATOM 237 CD2 LEU A 38 -6.841 6.378 -3.654 1.00 99.99 C ATOM 0 H LEU A 38 -1.917 7.021 -3.767 1.00 99.99 H new ATOM 0 HA LEU A 38 -3.232 5.499 -5.741 1.00 99.99 H new ATOM 0 HB2 LEU A 38 -4.125 5.720 -3.455 1.00 99.99 H new ATOM 0 HB3 LEU A 38 -4.318 7.449 -3.665 1.00 99.99 H new ATOM 0 HG LEU A 38 -5.953 7.066 -5.465 1.00 99.99 H new ATOM 0 HD11 LEU A 38 -6.912 4.804 -5.850 1.00 99.99 H new ATOM 0 HD12 LEU A 38 -5.195 4.902 -6.312 1.00 99.99 H new ATOM 0 HD13 LEU A 38 -5.663 4.113 -4.787 1.00 99.99 H new ATOM 0 HD21 LEU A 38 -7.826 6.212 -4.090 1.00 99.99 H new ATOM 0 HD22 LEU A 38 -6.654 5.628 -2.885 1.00 99.99 H new ATOM 0 HD23 LEU A 38 -6.804 7.372 -3.208 1.00 99.99 H new ATOM 249 N ILE A 39 -3.354 8.770 -5.887 1.00 99.99 N ATOM 250 CA ILE A 39 -3.668 9.932 -6.711 1.00 99.99 C ATOM 251 C ILE A 39 -2.837 9.882 -7.984 1.00 99.99 C ATOM 252 O ILE A 39 -3.364 10.133 -9.039 1.00 99.99 O ATOM 253 CB ILE A 39 -3.329 11.262 -6.024 1.00 99.99 C ATOM 254 CG1 ILE A 39 -4.262 11.481 -4.813 1.00 99.99 C ATOM 255 CG2 ILE A 39 -3.459 12.430 -7.025 1.00 99.99 C ATOM 256 CD1 ILE A 39 -3.885 12.693 -3.951 1.00 99.99 C ATOM 0 H ILE A 39 -2.905 8.999 -5.000 1.00 99.99 H new ATOM 0 HA ILE A 39 -4.740 9.892 -6.903 1.00 99.99 H new ATOM 0 HB ILE A 39 -2.299 11.226 -5.671 1.00 99.99 H new ATOM 0 HG12 ILE A 39 -5.284 11.606 -5.172 1.00 99.99 H new ATOM 0 HG13 ILE A 39 -4.250 10.586 -4.190 1.00 99.99 H new ATOM 0 HG21 ILE A 39 -3.216 13.367 -6.524 1.00 99.99 H new ATOM 0 HG22 ILE A 39 -2.772 12.274 -7.857 1.00 99.99 H new ATOM 0 HG23 ILE A 39 -4.481 12.474 -7.401 1.00 99.99 H new ATOM 0 HD11 ILE A 39 -4.586 12.781 -3.121 1.00 99.99 H new ATOM 0 HD12 ILE A 39 -2.875 12.562 -3.561 1.00 99.99 H new ATOM 0 HD13 ILE A 39 -3.926 13.598 -4.558 1.00 99.99 H new ATOM 268 N LEU A 40 -1.619 9.584 -7.853 1.00 99.99 N ATOM 269 CA LEU A 40 -0.701 9.525 -8.983 1.00 99.99 C ATOM 270 C LEU A 40 -1.174 8.460 -9.962 1.00 99.99 C ATOM 271 O LEU A 40 -1.163 8.703 -11.142 1.00 99.99 O ATOM 272 CB LEU A 40 0.725 9.134 -8.577 1.00 99.99 C ATOM 273 CG LEU A 40 1.509 10.204 -7.785 1.00 99.99 C ATOM 274 CD1 LEU A 40 2.872 9.632 -7.349 1.00 99.99 C ATOM 275 CD2 LEU A 40 1.717 11.493 -8.592 1.00 99.99 C ATOM 0 H LEU A 40 -1.187 9.364 -6.956 1.00 99.99 H new ATOM 0 HA LEU A 40 -0.689 10.525 -9.417 1.00 99.99 H new ATOM 0 HB2 LEU A 40 0.677 8.226 -7.976 1.00 99.99 H new ATOM 0 HB3 LEU A 40 1.287 8.891 -9.479 1.00 99.99 H new ATOM 0 HG LEU A 40 0.915 10.464 -6.909 1.00 99.99 H new ATOM 0 HD11 LEU A 40 3.423 10.389 -6.791 1.00 99.99 H new ATOM 0 HD12 LEU A 40 2.714 8.758 -6.717 1.00 99.99 H new ATOM 0 HD13 LEU A 40 3.444 9.344 -8.231 1.00 99.99 H new ATOM 0 HD21 LEU A 40 2.273 12.213 -7.991 1.00 99.99 H new ATOM 0 HD22 LEU A 40 2.278 11.268 -9.499 1.00 99.99 H new ATOM 0 HD23 LEU A 40 0.748 11.915 -8.860 1.00 99.99 H new ATOM 287 N TRP A 41 -1.554 7.364 -9.464 1.00 99.99 N ATOM 288 CA TRP A 41 -2.006 6.248 -10.285 1.00 99.99 C ATOM 289 C TRP A 41 -3.326 6.615 -10.946 1.00 99.99 C ATOM 290 O TRP A 41 -3.495 6.345 -12.109 1.00 99.99 O ATOM 291 CB TRP A 41 -2.268 4.974 -9.470 1.00 99.99 C ATOM 292 CG TRP A 41 -2.638 3.767 -10.312 1.00 99.99 C ATOM 293 CD1 TRP A 41 -1.795 2.982 -11.037 1.00 99.99 C ATOM 294 CD2 TRP A 41 -3.971 3.301 -10.584 1.00 99.99 C ATOM 295 NE1 TRP A 41 -2.497 2.002 -11.680 1.00 99.99 N ATOM 296 CE2 TRP A 41 -3.837 2.201 -11.453 1.00 99.99 C ATOM 297 CE3 TRP A 41 -5.224 3.738 -10.142 1.00 99.99 C ATOM 298 CZ2 TRP A 41 -4.953 1.501 -11.886 1.00 99.99 C ATOM 299 CZ3 TRP A 41 -6.344 3.037 -10.593 1.00 99.99 C ATOM 300 CH2 TRP A 41 -6.218 1.932 -11.453 1.00 99.99 C ATOM 0 H TRP A 41 -1.574 7.177 -8.461 1.00 99.99 H new ATOM 0 HA TRP A 41 -1.211 6.055 -11.005 1.00 99.99 H new ATOM 0 HB2 TRP A 41 -1.377 4.738 -8.887 1.00 99.99 H new ATOM 0 HB3 TRP A 41 -3.071 5.168 -8.760 1.00 99.99 H new ATOM 0 HD1 TRP A 41 -0.725 3.115 -11.096 1.00 99.99 H new ATOM 0 HE1 TRP A 41 -2.093 1.248 -12.236 1.00 99.99 H new ATOM 0 HE3 TRP A 41 -5.321 4.584 -9.478 1.00 99.99 H new ATOM 0 HZ2 TRP A 41 -4.852 0.647 -12.539 1.00 99.99 H new ATOM 0 HZ3 TRP A 41 -7.327 3.350 -10.275 1.00 99.99 H new ATOM 0 HH2 TRP A 41 -7.103 1.409 -11.784 1.00 99.99 H new ATOM 311 N ILE A 42 -4.184 7.183 -10.215 1.00 99.99 N ATOM 312 CA ILE A 42 -5.503 7.566 -10.711 1.00 99.99 C ATOM 313 C ILE A 42 -5.348 8.666 -11.750 1.00 99.99 C ATOM 314 O ILE A 42 -6.014 8.620 -12.754 1.00 99.99 O ATOM 315 CB ILE A 42 -6.411 8.133 -9.615 1.00 99.99 C ATOM 316 CG1 ILE A 42 -6.850 7.004 -8.651 1.00 99.99 C ATOM 317 CG2 ILE A 42 -7.649 8.823 -10.227 1.00 99.99 C ATOM 318 CD1 ILE A 42 -7.688 7.500 -7.463 1.00 99.99 C ATOM 0 H ILE A 42 -4.025 7.415 -9.235 1.00 99.99 H new ATOM 0 HA ILE A 42 -5.953 6.660 -11.117 1.00 99.99 H new ATOM 0 HB ILE A 42 -5.847 8.879 -9.055 1.00 99.99 H new ATOM 0 HG12 ILE A 42 -7.427 6.266 -9.208 1.00 99.99 H new ATOM 0 HG13 ILE A 42 -5.963 6.496 -8.272 1.00 99.99 H new ATOM 0 HG21 ILE A 42 -8.278 9.217 -9.429 1.00 99.99 H new ATOM 0 HG22 ILE A 42 -7.328 9.640 -10.873 1.00 99.99 H new ATOM 0 HG23 ILE A 42 -8.217 8.100 -10.812 1.00 99.99 H new ATOM 0 HD11 ILE A 42 -7.959 6.654 -6.831 1.00 99.99 H new ATOM 0 HD12 ILE A 42 -7.107 8.216 -6.882 1.00 99.99 H new ATOM 0 HD13 ILE A 42 -8.593 7.982 -7.832 1.00 99.99 H new ATOM 330 N LEU A 43 -4.520 9.581 -11.487 1.00 99.99 N ATOM 331 CA LEU A 43 -4.293 10.709 -12.381 1.00 99.99 C ATOM 332 C LEU A 43 -3.686 10.205 -13.683 1.00 99.99 C ATOM 333 O LEU A 43 -3.981 10.750 -14.717 1.00 99.99 O ATOM 334 CB LEU A 43 -3.303 11.732 -11.811 1.00 99.99 C ATOM 335 CG LEU A 43 -3.838 12.532 -10.600 1.00 99.99 C ATOM 336 CD1 LEU A 43 -2.696 13.326 -9.939 1.00 99.99 C ATOM 337 CD2 LEU A 43 -4.979 13.482 -10.996 1.00 99.99 C ATOM 0 H LEU A 43 -3.953 9.602 -10.639 1.00 99.99 H new ATOM 0 HA LEU A 43 -5.262 11.187 -12.523 1.00 99.99 H new ATOM 0 HB2 LEU A 43 -2.392 11.212 -11.514 1.00 99.99 H new ATOM 0 HB3 LEU A 43 -3.027 12.432 -12.600 1.00 99.99 H new ATOM 0 HG LEU A 43 -4.240 11.813 -9.887 1.00 99.99 H new ATOM 0 HD11 LEU A 43 -3.086 13.885 -9.088 1.00 99.99 H new ATOM 0 HD12 LEU A 43 -1.924 12.637 -9.597 1.00 99.99 H new ATOM 0 HD13 LEU A 43 -2.269 14.020 -10.663 1.00 99.99 H new ATOM 0 HD21 LEU A 43 -5.324 14.023 -10.115 1.00 99.99 H new ATOM 0 HD22 LEU A 43 -4.619 14.192 -11.740 1.00 99.99 H new ATOM 0 HD23 LEU A 43 -5.804 12.905 -11.414 1.00 99.99 H new ATOM 349 N ASP A 44 -2.887 9.233 -13.594 1.00 99.99 N ATOM 350 CA ASP A 44 -2.214 8.667 -14.755 1.00 99.99 C ATOM 351 C ASP A 44 -3.243 8.000 -15.659 1.00 99.99 C ATOM 352 O ASP A 44 -3.152 8.139 -16.854 1.00 99.99 O ATOM 353 CB ASP A 44 -1.195 7.580 -14.387 1.00 99.99 C ATOM 354 CG ASP A 44 -0.426 7.053 -15.615 1.00 99.99 C ATOM 355 OD1 ASP A 44 0.355 7.833 -16.208 1.00 99.99 O ATOM 356 OD2 ASP A 44 -0.566 5.840 -15.957 1.00 99.99 O ATOM 0 H ASP A 44 -2.653 8.774 -12.714 1.00 99.99 H new ATOM 0 HA ASP A 44 -1.696 9.495 -15.240 1.00 99.99 H new ATOM 0 HB2 ASP A 44 -0.486 7.981 -13.663 1.00 99.99 H new ATOM 0 HB3 ASP A 44 -1.711 6.751 -13.902 1.00 99.99 H new ATOM 361 N ARG A 45 -4.142 7.325 -15.089 1.00 99.99 N ATOM 362 CA ARG A 45 -5.177 6.615 -15.832 1.00 99.99 C ATOM 363 C ARG A 45 -6.034 7.618 -16.590 1.00 99.99 C ATOM 364 O ARG A 45 -6.349 7.376 -17.727 1.00 99.99 O ATOM 365 CB ARG A 45 -6.134 5.831 -14.923 1.00 99.99 C ATOM 366 CG ARG A 45 -5.456 4.674 -14.160 1.00 99.99 C ATOM 367 CD ARG A 45 -5.167 3.455 -15.045 1.00 99.99 C ATOM 368 NE ARG A 45 -3.763 3.571 -15.579 1.00 99.99 N ATOM 369 CZ ARG A 45 -3.382 2.914 -16.690 1.00 99.99 C ATOM 370 NH1 ARG A 45 -4.227 2.109 -17.358 1.00 99.99 N ATOM 371 NH2 ARG A 45 -2.113 3.053 -17.109 1.00 99.99 N ATOM 0 H ARG A 45 -4.214 7.224 -14.077 1.00 99.99 H new ATOM 0 HA ARG A 45 -4.656 5.921 -16.491 1.00 99.99 H new ATOM 0 HB2 ARG A 45 -6.581 6.517 -14.203 1.00 99.99 H new ATOM 0 HB3 ARG A 45 -6.947 5.429 -15.527 1.00 99.99 H new ATOM 0 HG2 ARG A 45 -4.521 5.031 -13.728 1.00 99.99 H new ATOM 0 HG3 ARG A 45 -6.095 4.370 -13.331 1.00 99.99 H new ATOM 0 HD2 ARG A 45 -5.278 2.535 -14.470 1.00 99.99 H new ATOM 0 HD3 ARG A 45 -5.881 3.406 -15.867 1.00 99.99 H new ATOM 0 HE ARG A 45 -3.088 4.159 -15.089 1.00 99.99 H new ATOM 0 HH11 ARG A 45 -5.183 1.984 -17.025 1.00 99.99 H new ATOM 0 HH12 ARG A 45 -3.912 1.623 -18.198 1.00 99.99 H new ATOM 0 HH21 ARG A 45 -1.466 3.645 -16.588 1.00 99.99 H new ATOM 0 HH22 ARG A 45 -1.797 2.567 -17.948 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 -6.441 10.384 -17.675 1.00 99.99 C ATOM 388 O LEU A 46 -5.453 11.075 -17.431 1.00 99.99 O ATOM 389 CB LEU A 46 -7.605 10.790 -15.563 1.00 99.99 C ATOM 390 CG LEU A 46 -8.398 10.358 -14.305 1.00 99.99 C ATOM 391 CD1 LEU A 46 -8.473 11.557 -13.341 1.00 99.99 C ATOM 392 CD2 LEU A 46 -9.807 9.845 -14.622 1.00 99.99 C ATOM 0 H LEU A 46 -6.085 8.858 -15.004 1.00 99.99 H new ATOM 0 HA LEU A 46 -8.108 9.189 -16.914 1.00 99.99 H new ATOM 0 HB2 LEU A 46 -6.694 11.289 -15.232 1.00 99.99 H new ATOM 0 HB3 LEU A 46 -8.199 11.532 -16.097 1.00 99.99 H new ATOM 0 HG LEU A 46 -7.870 9.521 -13.849 1.00 99.99 H new ATOM 0 HD11 LEU A 46 -9.029 11.272 -12.448 1.00 99.99 H new ATOM 0 HD12 LEU A 46 -7.465 11.861 -13.059 1.00 99.99 H new ATOM 0 HD13 LEU A 46 -8.979 12.388 -13.833 1.00 99.99 H new ATOM 0 HD21 LEU A 46 -10.307 9.559 -13.697 1.00 99.99 H new ATOM 0 HD22 LEU A 46 -10.378 10.632 -15.115 1.00 99.99 H new ATOM 0 HD23 LEU A 46 -9.739 8.979 -15.280 1.00 99.99 H new TER 404 LEU A 46 ATOM 405 N SER B 22 -10.410 0.595 18.982 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 -7.868 1.442 18.466 1.00 99.99 O ATOM 409 CB SER B 22 -11.011 2.515 17.462 1.00 99.99 C ATOM 410 OG SER B 22 -10.779 3.538 18.428 1.00 99.99 O ATOM 0 HA SER B 22 -10.358 0.532 16.895 1.00 99.99 H new ATOM 0 HB2 SER B 22 -10.829 2.917 16.465 1.00 99.99 H new ATOM 0 HB3 SER B 22 -12.060 2.220 17.500 1.00 99.99 H new ATOM 0 HG SER B 22 -11.365 4.302 18.243 1.00 99.99 H new ATOM 415 N SER B 23 -8.274 2.075 16.325 1.00 99.99 N ATOM 416 CA SER B 23 -6.944 2.553 16.032 1.00 99.99 C ATOM 417 C SER B 23 -7.116 3.977 15.566 1.00 99.99 C ATOM 418 O SER B 23 -8.182 4.567 15.743 1.00 99.99 O ATOM 419 CB SER B 23 -6.223 1.699 14.961 1.00 99.99 C ATOM 420 OG SER B 23 -6.043 0.369 15.431 1.00 99.99 O ATOM 0 H SER B 23 -8.908 2.134 15.528 1.00 99.99 H new ATOM 0 HA SER B 23 -6.312 2.485 16.917 1.00 99.99 H new ATOM 0 HB2 SER B 23 -6.805 1.691 14.040 1.00 99.99 H new ATOM 0 HB3 SER B 23 -5.256 2.142 14.723 1.00 99.99 H new ATOM 0 HG SER B 23 -5.588 -0.162 14.744 1.00 99.99 H new ATOM 426 N ASP B 24 -6.049 4.578 14.979 1.00 99.99 N ATOM 427 CA ASP B 24 -6.013 5.982 14.611 1.00 99.99 C ATOM 428 C ASP B 24 -6.604 6.133 13.226 1.00 99.99 C ATOM 429 O ASP B 24 -6.504 5.190 12.449 1.00 99.99 O ATOM 430 CB ASP B 24 -4.564 6.544 14.589 1.00 99.99 C ATOM 431 CG ASP B 24 -3.912 6.478 15.973 1.00 99.99 C ATOM 432 OD1 ASP B 24 -4.648 6.397 16.995 1.00 99.99 O ATOM 433 OD2 ASP B 24 -2.654 6.521 16.024 1.00 99.99 O ATOM 0 H ASP B 24 -5.189 4.079 14.753 1.00 99.99 H new ATOM 0 HA ASP B 24 -6.582 6.539 15.355 1.00 99.99 H new ATOM 0 HB2 ASP B 24 -3.964 5.978 13.876 1.00 99.99 H new ATOM 0 HB3 ASP B 24 -4.579 7.577 14.242 1.00 99.99 H new ATOM 438 N PRO B 25 -7.241 7.244 12.848 1.00 99.99 N ATOM 439 CA PRO B 25 -8.113 7.292 11.683 1.00 99.99 C ATOM 440 C PRO B 25 -7.351 7.304 10.377 1.00 99.99 C ATOM 441 O PRO B 25 -7.932 6.885 9.389 1.00 99.99 O ATOM 442 CB PRO B 25 -8.922 8.588 11.856 1.00 99.99 C ATOM 443 CG PRO B 25 -8.053 9.460 12.765 1.00 99.99 C ATOM 444 CD PRO B 25 -7.401 8.431 13.685 1.00 99.99 C ATOM 0 HA PRO B 25 -8.740 6.402 11.630 1.00 99.99 H new ATOM 0 HB2 PRO B 25 -9.106 9.073 10.897 1.00 99.99 H new ATOM 0 HB3 PRO B 25 -9.895 8.392 12.306 1.00 99.99 H new ATOM 0 HG2 PRO B 25 -7.313 10.025 12.199 1.00 99.99 H new ATOM 0 HG3 PRO B 25 -8.648 10.184 13.322 1.00 99.99 H new ATOM 0 HD2 PRO B 25 -6.441 8.785 14.060 1.00 99.99 H new ATOM 0 HD3 PRO B 25 -8.025 8.223 14.554 1.00 99.99 H new ATOM 452 N LEU B 26 -6.085 7.781 10.355 1.00 99.99 N ATOM 453 CA LEU B 26 -5.149 7.768 9.238 1.00 99.99 C ATOM 454 C LEU B 26 -4.695 6.340 8.977 1.00 99.99 C ATOM 455 O LEU B 26 -4.630 5.945 7.840 1.00 99.99 O ATOM 456 CB LEU B 26 -3.877 8.582 9.513 1.00 99.99 C ATOM 457 CG LEU B 26 -2.738 8.444 8.477 1.00 99.99 C ATOM 458 CD1 LEU B 26 -3.128 8.974 7.095 1.00 99.99 C ATOM 459 CD2 LEU B 26 -1.470 9.143 8.986 1.00 99.99 C ATOM 0 H LEU B 26 -5.674 8.213 11.183 1.00 99.99 H new ATOM 0 HA LEU B 26 -5.679 8.205 8.392 1.00 99.99 H new ATOM 0 HB2 LEU B 26 -4.152 9.634 9.581 1.00 99.99 H new ATOM 0 HB3 LEU B 26 -3.489 8.291 10.489 1.00 99.99 H new ATOM 0 HG LEU B 26 -2.540 7.379 8.359 1.00 99.99 H new ATOM 0 HD11 LEU B 26 -2.290 8.851 6.409 1.00 99.99 H new ATOM 0 HD12 LEU B 26 -3.988 8.418 6.721 1.00 99.99 H new ATOM 0 HD13 LEU B 26 -3.384 10.031 7.170 1.00 99.99 H new ATOM 0 HD21 LEU B 26 -0.675 9.038 8.247 1.00 99.99 H new ATOM 0 HD22 LEU B 26 -1.678 10.201 9.148 1.00 99.99 H new ATOM 0 HD23 LEU B 26 -1.155 8.687 9.925 1.00 99.99 H new ATOM 471 N VAL B 27 -4.403 5.648 9.991 1.00 99.99 N ATOM 472 CA VAL B 27 -3.931 4.271 9.887 1.00 99.99 C ATOM 473 C VAL B 27 -5.062 3.387 9.383 1.00 99.99 C ATOM 474 O VAL B 27 -4.838 2.595 8.503 1.00 99.99 O ATOM 475 CB VAL B 27 -3.493 3.687 11.237 1.00 99.99 C ATOM 476 CG1 VAL B 27 -3.119 2.199 11.092 1.00 99.99 C ATOM 477 CG2 VAL B 27 -2.273 4.472 11.768 1.00 99.99 C ATOM 0 H VAL B 27 -4.473 5.993 10.948 1.00 99.99 H new ATOM 0 HA VAL B 27 -3.077 4.291 9.210 1.00 99.99 H new ATOM 0 HB VAL B 27 -4.324 3.772 11.938 1.00 99.99 H new ATOM 0 HG11 VAL B 27 -2.812 1.805 12.061 1.00 99.99 H new ATOM 0 HG12 VAL B 27 -3.982 1.640 10.731 1.00 99.99 H new ATOM 0 HG13 VAL B 27 -2.298 2.098 10.382 1.00 99.99 H new ATOM 0 HG21 VAL B 27 -1.962 4.057 12.727 1.00 99.99 H new ATOM 0 HG22 VAL B 27 -1.452 4.394 11.056 1.00 99.99 H new ATOM 0 HG23 VAL B 27 -2.543 5.520 11.897 1.00 99.99 H new ATOM 487 N VAL B 28 -6.186 3.538 9.937 1.00 99.99 N ATOM 488 CA VAL B 28 -7.351 2.739 9.572 1.00 99.99 C ATOM 489 C VAL B 28 -7.809 3.130 8.175 1.00 99.99 C ATOM 490 O VAL B 28 -8.114 2.263 7.395 1.00 99.99 O ATOM 491 CB VAL B 28 -8.548 2.969 10.503 1.00 99.99 C ATOM 492 CG1 VAL B 28 -9.808 2.247 9.983 1.00 99.99 C ATOM 493 CG2 VAL B 28 -8.204 2.480 11.924 1.00 99.99 C ATOM 0 H VAL B 28 -6.365 4.221 10.673 1.00 99.99 H new ATOM 0 HA VAL B 28 -7.042 1.696 9.639 1.00 99.99 H new ATOM 0 HB VAL B 28 -8.761 4.038 10.529 1.00 99.99 H new ATOM 0 HG11 VAL B 28 -10.639 2.429 10.664 1.00 99.99 H new ATOM 0 HG12 VAL B 28 -10.061 2.625 8.993 1.00 99.99 H new ATOM 0 HG13 VAL B 28 -9.615 1.176 9.924 1.00 99.99 H new ATOM 0 HG21 VAL B 28 -9.057 2.645 12.582 1.00 99.99 H new ATOM 0 HG22 VAL B 28 -7.968 1.416 11.896 1.00 99.99 H new ATOM 0 HG23 VAL B 28 -7.343 3.032 12.300 1.00 99.99 H new ATOM 503 N ALA B 29 -7.851 4.364 7.919 1.00 99.99 N ATOM 504 CA ALA B 29 -8.298 4.880 6.629 1.00 99.99 C ATOM 505 C ALA B 29 -7.364 4.379 5.537 1.00 99.99 C ATOM 506 O ALA B 29 -7.837 4.003 4.493 1.00 99.99 O ATOM 507 CB ALA B 29 -8.265 6.412 6.555 1.00 99.99 C ATOM 0 H ALA B 29 -7.579 5.088 8.585 1.00 99.99 H new ATOM 0 HA ALA B 29 -9.324 4.536 6.500 1.00 99.99 H new ATOM 0 HB1 ALA B 29 -8.608 6.736 5.573 1.00 99.99 H new ATOM 0 HB2 ALA B 29 -8.918 6.827 7.323 1.00 99.99 H new ATOM 0 HB3 ALA B 29 -7.246 6.762 6.717 1.00 99.99 H new ATOM 513 N ALA B 30 -6.130 4.395 5.796 1.00 99.99 N ATOM 514 CA ALA B 30 -5.124 3.966 4.832 1.00 99.99 C ATOM 515 C ALA B 30 -5.320 2.491 4.519 1.00 99.99 C ATOM 516 O ALA B 30 -5.098 2.096 3.401 1.00 99.99 O ATOM 517 CB ALA B 30 -3.691 4.108 5.363 1.00 99.99 C ATOM 0 H ALA B 30 -5.745 4.705 6.688 1.00 99.99 H new ATOM 0 HA ALA B 30 -5.249 4.603 3.957 1.00 99.99 H new ATOM 0 HB1 ALA B 30 -2.986 3.773 4.602 1.00 99.99 H new ATOM 0 HB2 ALA B 30 -3.495 5.152 5.606 1.00 99.99 H new ATOM 0 HB3 ALA B 30 -3.573 3.499 6.259 1.00 99.99 H new ATOM 523 N SER B 31 -5.709 1.760 5.469 1.00 99.99 N ATOM 524 CA SER B 31 -5.914 0.324 5.317 1.00 99.99 C ATOM 525 C SER B 31 -6.997 0.079 4.277 1.00 99.99 C ATOM 526 O SER B 31 -6.817 -0.758 3.428 1.00 99.99 O ATOM 527 CB SER B 31 -6.391 -0.352 6.608 1.00 99.99 C ATOM 528 OG SER B 31 -5.382 -0.293 7.615 1.00 99.99 O ATOM 0 H SER B 31 -5.908 2.111 6.406 1.00 99.99 H new ATOM 0 HA SER B 31 -4.949 -0.094 5.030 1.00 99.99 H new ATOM 0 HB2 SER B 31 -7.297 0.137 6.966 1.00 99.99 H new ATOM 0 HB3 SER B 31 -6.648 -1.392 6.406 1.00 99.99 H new ATOM 0 HG SER B 31 -5.244 0.639 7.885 1.00 99.99 H new ATOM 534 N ILE B 32 -8.044 0.778 4.376 1.00 99.99 N ATOM 535 CA ILE B 32 -9.171 0.630 3.464 1.00 99.99 C ATOM 536 C ILE B 32 -8.737 1.010 2.057 1.00 99.99 C ATOM 537 O ILE B 32 -9.163 0.383 1.122 1.00 99.99 O ATOM 538 CB ILE B 32 -10.349 1.548 3.817 1.00 99.99 C ATOM 539 CG1 ILE B 32 -10.953 1.140 5.179 1.00 99.99 C ATOM 540 CG2 ILE B 32 -11.435 1.497 2.722 1.00 99.99 C ATOM 541 CD1 ILE B 32 -11.886 2.207 5.766 1.00 99.99 C ATOM 0 H ILE B 32 -8.180 1.491 5.093 1.00 99.99 H new ATOM 0 HA ILE B 32 -9.490 -0.410 3.540 1.00 99.99 H new ATOM 0 HB ILE B 32 -9.976 2.570 3.883 1.00 99.99 H new ATOM 0 HG12 ILE B 32 -11.506 0.208 5.060 1.00 99.99 H new ATOM 0 HG13 ILE B 32 -10.145 0.944 5.884 1.00 99.99 H new ATOM 0 HG21 ILE B 32 -12.259 2.156 2.996 1.00 99.99 H new ATOM 0 HG22 ILE B 32 -11.010 1.823 1.773 1.00 99.99 H new ATOM 0 HG23 ILE B 32 -11.804 0.476 2.623 1.00 99.99 H new ATOM 0 HD11 ILE B 32 -12.278 1.861 6.722 1.00 99.99 H new ATOM 0 HD12 ILE B 32 -11.331 3.133 5.915 1.00 99.99 H new ATOM 0 HD13 ILE B 32 -12.713 2.386 5.078 1.00 99.99 H new ATOM 553 N ILE B 33 -7.943 1.985 1.958 1.00 99.99 N ATOM 554 CA ILE B 33 -7.464 2.477 0.671 1.00 99.99 C ATOM 555 C ILE B 33 -6.687 1.373 -0.033 1.00 99.99 C ATOM 556 O ILE B 33 -6.913 1.146 -1.194 1.00 99.99 O ATOM 557 CB ILE B 33 -6.501 3.664 0.803 1.00 99.99 C ATOM 558 CG1 ILE B 33 -7.335 4.959 0.970 1.00 99.99 C ATOM 559 CG2 ILE B 33 -5.548 3.776 -0.400 1.00 99.99 C ATOM 560 CD1 ILE B 33 -6.546 6.168 1.485 1.00 99.99 C ATOM 0 H ILE B 33 -7.579 2.499 2.760 1.00 99.99 H new ATOM 0 HA ILE B 33 -8.349 2.792 0.118 1.00 99.99 H new ATOM 0 HB ILE B 33 -5.871 3.509 1.679 1.00 99.99 H new ATOM 0 HG12 ILE B 33 -7.779 5.215 0.008 1.00 99.99 H new ATOM 0 HG13 ILE B 33 -8.157 4.759 1.657 1.00 99.99 H new ATOM 0 HG21 ILE B 33 -4.886 4.631 -0.261 1.00 99.99 H new ATOM 0 HG22 ILE B 33 -4.954 2.866 -0.479 1.00 99.99 H new ATOM 0 HG23 ILE B 33 -6.128 3.911 -1.313 1.00 99.99 H new ATOM 0 HD11 ILE B 33 -7.211 7.027 1.570 1.00 99.99 H new ATOM 0 HD12 ILE B 33 -6.124 5.937 2.463 1.00 99.99 H new ATOM 0 HD13 ILE B 33 -5.741 6.400 0.788 1.00 99.99 H new ATOM 572 N GLY B 34 -5.836 0.752 0.662 1.00 99.99 N ATOM 573 CA GLY B 34 -5.005 -0.313 0.109 1.00 99.99 C ATOM 574 C GLY B 34 -5.886 -1.485 -0.288 1.00 99.99 C ATOM 575 O GLY B 34 -5.617 -2.108 -1.284 1.00 99.99 O ATOM 0 H GLY B 34 -5.665 0.943 1.649 1.00 99.99 H new ATOM 0 HA2 GLY B 34 -4.455 0.053 -0.758 1.00 99.99 H new ATOM 0 HA3 GLY B 34 -4.266 -0.632 0.844 1.00 99.99 H new ATOM 579 N ILE B 35 -7.155 -1.435 0.083 1.00 99.99 N ATOM 580 CA ILE B 35 -8.032 -2.489 -0.420 1.00 99.99 C ATOM 581 C ILE B 35 -8.752 -1.995 -1.665 1.00 99.99 C ATOM 582 O ILE B 35 -8.797 -2.708 -2.635 1.00 99.99 O ATOM 583 CB ILE B 35 -9.124 -2.886 0.582 1.00 99.99 C ATOM 584 CG1 ILE B 35 -8.487 -3.395 1.900 1.00 99.99 C ATOM 585 CG2 ILE B 35 -10.029 -3.974 -0.034 1.00 99.99 C ATOM 586 CD1 ILE B 35 -9.458 -3.524 3.077 1.00 99.99 C ATOM 0 H ILE B 35 -7.582 -0.732 0.686 1.00 99.99 H new ATOM 0 HA ILE B 35 -7.393 -3.350 -0.615 1.00 99.99 H new ATOM 0 HB ILE B 35 -9.731 -2.010 0.810 1.00 99.99 H new ATOM 0 HG12 ILE B 35 -8.032 -4.368 1.715 1.00 99.99 H new ATOM 0 HG13 ILE B 35 -7.683 -2.716 2.184 1.00 99.99 H new ATOM 0 HG21 ILE B 35 -10.803 -4.252 0.682 1.00 99.99 H new ATOM 0 HG22 ILE B 35 -10.495 -3.589 -0.941 1.00 99.99 H new ATOM 0 HG23 ILE B 35 -9.429 -4.851 -0.279 1.00 99.99 H new ATOM 0 HD11 ILE B 35 -8.921 -3.887 3.954 1.00 99.99 H new ATOM 0 HD12 ILE B 35 -9.895 -2.550 3.296 1.00 99.99 H new ATOM 0 HD13 ILE B 35 -10.250 -4.228 2.820 1.00 99.99 H new ATOM 598 N LEU B 36 -9.268 -0.846 -1.599 1.00 99.99 N ATOM 599 CA LEU B 36 -10.012 -0.260 -2.710 1.00 99.99 C ATOM 600 C LEU B 36 -9.097 -0.144 -3.920 1.00 99.99 C ATOM 601 O LEU B 36 -9.528 -0.427 -5.008 1.00 99.99 O ATOM 602 CB LEU B 36 -10.513 1.158 -2.409 1.00 99.99 C ATOM 603 CG LEU B 36 -11.192 1.886 -3.588 1.00 99.99 C ATOM 604 CD1 LEU B 36 -12.468 1.155 -4.030 1.00 99.99 C ATOM 605 CD2 LEU B 36 -11.496 3.347 -3.233 1.00 99.99 C ATOM 0 H LEU B 36 -9.206 -0.246 -0.777 1.00 99.99 H new ATOM 0 HA LEU B 36 -10.867 -0.913 -2.886 1.00 99.99 H new ATOM 0 HB2 LEU B 36 -11.220 1.107 -1.581 1.00 99.99 H new ATOM 0 HB3 LEU B 36 -9.669 1.759 -2.071 1.00 99.99 H new ATOM 0 HG LEU B 36 -10.495 1.881 -4.426 1.00 99.99 H new ATOM 0 HD11 LEU B 36 -12.925 1.691 -4.862 1.00 99.99 H new ATOM 0 HD12 LEU B 36 -12.217 0.142 -4.345 1.00 99.99 H new ATOM 0 HD13 LEU B 36 -13.170 1.112 -3.197 1.00 99.99 H new ATOM 0 HD21 LEU B 36 -11.974 3.836 -4.082 1.00 99.99 H new ATOM 0 HD22 LEU B 36 -12.163 3.381 -2.372 1.00 99.99 H new ATOM 0 HD23 LEU B 36 -10.567 3.864 -2.993 1.00 99.99 H new ATOM 617 N HIS B 37 -7.831 0.295 -3.736 1.00 99.99 N ATOM 618 CA HIS B 37 -6.870 0.507 -4.792 1.00 99.99 C ATOM 619 C HIS B 37 -6.556 -0.796 -5.475 1.00 99.99 C ATOM 620 O HIS B 37 -6.204 -0.816 -6.652 1.00 99.99 O ATOM 621 CB HIS B 37 -5.556 1.120 -4.249 1.00 99.99 C ATOM 622 CG HIS B 37 -4.583 1.542 -5.320 1.00 99.99 C ATOM 623 ND1 HIS B 37 -3.262 1.787 -5.058 1.00 99.99 N ATOM 624 CD2 HIS B 37 -4.783 1.806 -6.634 1.00 99.99 C ATOM 625 CE1 HIS B 37 -2.678 2.176 -6.182 1.00 99.99 C ATOM 626 NE2 HIS B 37 -3.579 2.195 -7.154 1.00 99.99 N ATOM 0 H HIS B 37 -7.459 0.512 -2.812 1.00 99.99 H new ATOM 0 HA HIS B 37 -7.313 1.205 -5.502 1.00 99.99 H new ATOM 0 HB2 HIS B 37 -5.799 1.986 -3.633 1.00 99.99 H new ATOM 0 HB3 HIS B 37 -5.070 0.393 -3.599 1.00 99.99 H new ATOM 0 HD2 HIS B 37 -5.717 1.725 -7.170 1.00 99.99 H new ATOM 0 HE1 HIS B 37 -1.635 2.436 -6.289 1.00 99.99 H new ATOM 0 HE2 HIS B 37 -3.404 2.455 -8.125 1.00 99.99 H new ATOM 634 N LEU B 38 -6.720 -1.924 -4.742 1.00 99.99 N ATOM 635 CA LEU B 38 -6.483 -3.261 -5.273 1.00 99.99 C ATOM 636 C LEU B 38 -7.593 -3.619 -6.250 1.00 99.99 C ATOM 637 O LEU B 38 -7.306 -4.131 -7.302 1.00 99.99 O ATOM 638 CB LEU B 38 -6.494 -4.348 -4.189 1.00 99.99 C ATOM 639 CG LEU B 38 -6.268 -5.775 -4.744 1.00 99.99 C ATOM 640 CD1 LEU B 38 -4.925 -5.895 -5.476 1.00 99.99 C ATOM 641 CD2 LEU B 38 -6.378 -6.841 -3.654 1.00 99.99 C ATOM 0 H LEU B 38 -7.021 -1.917 -3.767 1.00 99.99 H new ATOM 0 HA LEU B 38 -5.499 -3.232 -5.741 1.00 99.99 H new ATOM 0 HB2 LEU B 38 -5.720 -4.125 -3.455 1.00 99.99 H new ATOM 0 HB3 LEU B 38 -7.449 -4.318 -3.665 1.00 99.99 H new ATOM 0 HG LEU B 38 -7.066 -5.953 -5.465 1.00 99.99 H new ATOM 0 HD11 LEU B 38 -4.804 -6.912 -5.850 1.00 99.99 H new ATOM 0 HD12 LEU B 38 -4.902 -5.195 -6.312 1.00 99.99 H new ATOM 0 HD13 LEU B 38 -4.113 -5.663 -4.787 1.00 99.99 H new ATOM 0 HD21 LEU B 38 -6.212 -7.826 -4.090 1.00 99.99 H new ATOM 0 HD22 LEU B 38 -5.628 -6.654 -2.885 1.00 99.99 H new ATOM 0 HD23 LEU B 38 -7.372 -6.804 -3.208 1.00 99.99 H new ATOM 653 N ILE B 39 -8.770 -3.354 -5.887 1.00 99.99 N ATOM 654 CA ILE B 39 -9.932 -3.668 -6.711 1.00 99.99 C ATOM 655 C ILE B 39 -9.882 -2.837 -7.984 1.00 99.99 C ATOM 656 O ILE B 39 -10.133 -3.364 -9.039 1.00 99.99 O ATOM 657 CB ILE B 39 -11.262 -3.329 -6.024 1.00 99.99 C ATOM 658 CG1 ILE B 39 -11.481 -4.262 -4.813 1.00 99.99 C ATOM 659 CG2 ILE B 39 -12.430 -3.459 -7.025 1.00 99.99 C ATOM 660 CD1 ILE B 39 -12.693 -3.885 -3.951 1.00 99.99 C ATOM 0 H ILE B 39 -8.999 -2.905 -5.000 1.00 99.99 H new ATOM 0 HA ILE B 39 -9.892 -4.740 -6.903 1.00 99.99 H new ATOM 0 HB ILE B 39 -11.226 -2.299 -5.671 1.00 99.99 H new ATOM 0 HG12 ILE B 39 -11.606 -5.284 -5.172 1.00 99.99 H new ATOM 0 HG13 ILE B 39 -10.586 -4.250 -4.190 1.00 99.99 H new ATOM 0 HG21 ILE B 39 -13.367 -3.216 -6.524 1.00 99.99 H new ATOM 0 HG22 ILE B 39 -12.274 -2.772 -7.857 1.00 99.99 H new ATOM 0 HG23 ILE B 39 -12.474 -4.481 -7.401 1.00 99.99 H new ATOM 0 HD11 ILE B 39 -12.781 -4.586 -3.121 1.00 99.99 H new ATOM 0 HD12 ILE B 39 -12.562 -2.875 -3.561 1.00 99.99 H new ATOM 0 HD13 ILE B 39 -13.598 -3.926 -4.558 1.00 99.99 H new ATOM 672 N LEU B 40 -9.584 -1.619 -7.853 1.00 99.99 N ATOM 673 CA LEU B 40 -9.525 -0.701 -8.983 1.00 99.99 C ATOM 674 C LEU B 40 -8.460 -1.174 -9.962 1.00 99.99 C ATOM 675 O LEU B 40 -8.703 -1.163 -11.142 1.00 99.99 O ATOM 676 CB LEU B 40 -9.134 0.725 -8.577 1.00 99.99 C ATOM 677 CG LEU B 40 -10.204 1.509 -7.785 1.00 99.99 C ATOM 678 CD1 LEU B 40 -9.632 2.872 -7.349 1.00 99.99 C ATOM 679 CD2 LEU B 40 -11.493 1.717 -8.592 1.00 99.99 C ATOM 0 H LEU B 40 -9.364 -1.187 -6.956 1.00 99.99 H new ATOM 0 HA LEU B 40 -10.525 -0.689 -9.417 1.00 99.99 H new ATOM 0 HB2 LEU B 40 -8.226 0.677 -7.976 1.00 99.99 H new ATOM 0 HB3 LEU B 40 -8.891 1.287 -9.479 1.00 99.99 H new ATOM 0 HG LEU B 40 -10.464 0.915 -6.909 1.00 99.99 H new ATOM 0 HD11 LEU B 40 -10.389 3.423 -6.791 1.00 99.99 H new ATOM 0 HD12 LEU B 40 -8.758 2.714 -6.717 1.00 99.99 H new ATOM 0 HD13 LEU B 40 -9.344 3.444 -8.231 1.00 99.99 H new ATOM 0 HD21 LEU B 40 -12.213 2.273 -7.991 1.00 99.99 H new ATOM 0 HD22 LEU B 40 -11.268 2.278 -9.499 1.00 99.99 H new ATOM 0 HD23 LEU B 40 -11.915 0.748 -8.860 1.00 99.99 H new ATOM 691 N TRP B 41 -7.364 -1.554 -9.464 1.00 99.99 N ATOM 692 CA TRP B 41 -6.248 -2.006 -10.285 1.00 99.99 C ATOM 693 C TRP B 41 -6.615 -3.326 -10.946 1.00 99.99 C ATOM 694 O TRP B 41 -6.345 -3.495 -12.109 1.00 99.99 O ATOM 695 CB TRP B 41 -4.974 -2.268 -9.470 1.00 99.99 C ATOM 696 CG TRP B 41 -3.767 -2.638 -10.312 1.00 99.99 C ATOM 697 CD1 TRP B 41 -2.982 -1.795 -11.037 1.00 99.99 C ATOM 698 CD2 TRP B 41 -3.301 -3.971 -10.584 1.00 99.99 C ATOM 699 NE1 TRP B 41 -2.002 -2.497 -11.680 1.00 99.99 N ATOM 700 CE2 TRP B 41 -2.201 -3.837 -11.453 1.00 99.99 C ATOM 701 CE3 TRP B 41 -3.738 -5.224 -10.142 1.00 99.99 C ATOM 702 CZ2 TRP B 41 -1.501 -4.953 -11.886 1.00 99.99 C ATOM 703 CZ3 TRP B 41 -3.037 -6.344 -10.593 1.00 99.99 C ATOM 704 CH2 TRP B 41 -1.932 -6.218 -11.453 1.00 99.99 C ATOM 0 H TRP B 41 -7.177 -1.574 -8.461 1.00 99.99 H new ATOM 0 HA TRP B 41 -6.055 -1.211 -11.005 1.00 99.99 H new ATOM 0 HB2 TRP B 41 -4.738 -1.377 -8.887 1.00 99.99 H new ATOM 0 HB3 TRP B 41 -5.168 -3.071 -8.760 1.00 99.99 H new ATOM 0 HD1 TRP B 41 -3.115 -0.725 -11.096 1.00 99.99 H new ATOM 0 HE1 TRP B 41 -1.248 -2.093 -12.236 1.00 99.99 H new ATOM 0 HE3 TRP B 41 -4.584 -5.321 -9.478 1.00 99.99 H new ATOM 0 HZ2 TRP B 41 -0.647 -4.852 -12.539 1.00 99.99 H new ATOM 0 HZ3 TRP B 41 -3.350 -7.327 -10.275 1.00 99.99 H new ATOM 0 HH2 TRP B 41 -1.409 -7.103 -11.784 1.00 99.99 H new ATOM 715 N ILE B 42 -7.183 -4.184 -10.215 1.00 99.99 N ATOM 716 CA ILE B 42 -7.566 -5.503 -10.711 1.00 99.99 C ATOM 717 C ILE B 42 -8.666 -5.348 -11.750 1.00 99.99 C ATOM 718 O ILE B 42 -8.620 -6.014 -12.754 1.00 99.99 O ATOM 719 CB ILE B 42 -8.133 -6.411 -9.615 1.00 99.99 C ATOM 720 CG1 ILE B 42 -7.004 -6.850 -8.651 1.00 99.99 C ATOM 721 CG2 ILE B 42 -8.823 -7.649 -10.227 1.00 99.99 C ATOM 722 CD1 ILE B 42 -7.500 -7.688 -7.463 1.00 99.99 C ATOM 0 H ILE B 42 -7.415 -4.025 -9.235 1.00 99.99 H new ATOM 0 HA ILE B 42 -6.660 -5.953 -11.117 1.00 99.99 H new ATOM 0 HB ILE B 42 -8.879 -5.847 -9.055 1.00 99.99 H new ATOM 0 HG12 ILE B 42 -6.266 -7.427 -9.208 1.00 99.99 H new ATOM 0 HG13 ILE B 42 -6.496 -5.963 -8.272 1.00 99.99 H new ATOM 0 HG21 ILE B 42 -9.217 -8.278 -9.429 1.00 99.99 H new ATOM 0 HG22 ILE B 42 -9.640 -7.328 -10.873 1.00 99.99 H new ATOM 0 HG23 ILE B 42 -8.100 -8.217 -10.812 1.00 99.99 H new ATOM 0 HD11 ILE B 42 -6.654 -7.959 -6.831 1.00 99.99 H new ATOM 0 HD12 ILE B 42 -8.216 -7.107 -6.882 1.00 99.99 H new ATOM 0 HD13 ILE B 42 -7.982 -8.593 -7.832 1.00 99.99 H new ATOM 734 N LEU B 43 -9.581 -4.520 -11.487 1.00 99.99 N ATOM 735 CA LEU B 43 -10.709 -4.293 -12.381 1.00 99.99 C ATOM 736 C LEU B 43 -10.205 -3.686 -13.683 1.00 99.99 C ATOM 737 O LEU B 43 -10.750 -3.981 -14.717 1.00 99.99 O ATOM 738 CB LEU B 43 -11.732 -3.303 -11.811 1.00 99.99 C ATOM 739 CG LEU B 43 -12.532 -3.838 -10.600 1.00 99.99 C ATOM 740 CD1 LEU B 43 -13.326 -2.696 -9.939 1.00 99.99 C ATOM 741 CD2 LEU B 43 -13.482 -4.979 -10.996 1.00 99.99 C ATOM 0 H LEU B 43 -9.602 -3.953 -10.639 1.00 99.99 H new ATOM 0 HA LEU B 43 -11.187 -5.262 -12.523 1.00 99.99 H new ATOM 0 HB2 LEU B 43 -11.212 -2.392 -11.514 1.00 99.99 H new ATOM 0 HB3 LEU B 43 -12.432 -3.027 -12.600 1.00 99.99 H new ATOM 0 HG LEU B 43 -11.813 -4.240 -9.887 1.00 99.99 H new ATOM 0 HD11 LEU B 43 -13.885 -3.086 -9.088 1.00 99.99 H new ATOM 0 HD12 LEU B 43 -12.637 -1.924 -9.597 1.00 99.99 H new ATOM 0 HD13 LEU B 43 -14.020 -2.269 -10.663 1.00 99.99 H new ATOM 0 HD21 LEU B 43 -14.023 -5.324 -10.115 1.00 99.99 H new ATOM 0 HD22 LEU B 43 -14.192 -4.619 -11.740 1.00 99.99 H new ATOM 0 HD23 LEU B 43 -12.905 -5.804 -11.414 1.00 99.99 H new ATOM 753 N ASP B 44 -9.233 -2.887 -13.594 1.00 99.99 N ATOM 754 CA ASP B 44 -8.667 -2.214 -14.755 1.00 99.99 C ATOM 755 C ASP B 44 -8.000 -3.243 -15.659 1.00 99.99 C ATOM 756 O ASP B 44 -8.139 -3.152 -16.854 1.00 99.99 O ATOM 757 CB ASP B 44 -7.580 -1.195 -14.387 1.00 99.99 C ATOM 758 CG ASP B 44 -7.053 -0.426 -15.615 1.00 99.99 C ATOM 759 OD1 ASP B 44 -7.833 0.355 -16.208 1.00 99.99 O ATOM 760 OD2 ASP B 44 -5.840 -0.566 -15.957 1.00 99.99 O ATOM 0 H ASP B 44 -8.774 -2.653 -12.714 1.00 99.99 H new ATOM 0 HA ASP B 44 -9.495 -1.696 -15.240 1.00 99.99 H new ATOM 0 HB2 ASP B 44 -7.981 -0.486 -13.663 1.00 99.99 H new ATOM 0 HB3 ASP B 44 -6.751 -1.711 -13.902 1.00 99.99 H new ATOM 765 N ARG B 45 -7.325 -4.142 -15.089 1.00 99.99 N ATOM 766 CA ARG B 45 -6.615 -5.177 -15.832 1.00 99.99 C ATOM 767 C ARG B 45 -7.618 -6.034 -16.590 1.00 99.99 C ATOM 768 O ARG B 45 -7.376 -6.349 -17.727 1.00 99.99 O ATOM 769 CB ARG B 45 -5.831 -6.134 -14.923 1.00 99.99 C ATOM 770 CG ARG B 45 -4.674 -5.456 -14.160 1.00 99.99 C ATOM 771 CD ARG B 45 -3.455 -5.167 -15.045 1.00 99.99 C ATOM 772 NE ARG B 45 -3.571 -3.763 -15.579 1.00 99.99 N ATOM 773 CZ ARG B 45 -2.914 -3.382 -16.690 1.00 99.99 C ATOM 774 NH1 ARG B 45 -2.109 -4.227 -17.358 1.00 99.99 N ATOM 775 NH2 ARG B 45 -3.053 -2.113 -17.109 1.00 99.99 N ATOM 0 H ARG B 45 -7.224 -4.214 -14.077 1.00 99.99 H new ATOM 0 HA ARG B 45 -5.921 -4.656 -16.491 1.00 99.99 H new ATOM 0 HB2 ARG B 45 -6.517 -6.581 -14.203 1.00 99.99 H new ATOM 0 HB3 ARG B 45 -5.429 -6.947 -15.527 1.00 99.99 H new ATOM 0 HG2 ARG B 45 -5.031 -4.521 -13.728 1.00 99.99 H new ATOM 0 HG3 ARG B 45 -4.370 -6.095 -13.331 1.00 99.99 H new ATOM 0 HD2 ARG B 45 -2.535 -5.278 -14.470 1.00 99.99 H new ATOM 0 HD3 ARG B 45 -3.406 -5.881 -15.867 1.00 99.99 H new ATOM 0 HE ARG B 45 -4.159 -3.088 -15.089 1.00 99.99 H new ATOM 0 HH11 ARG B 45 -1.984 -5.183 -17.025 1.00 99.99 H new ATOM 0 HH12 ARG B 45 -1.623 -3.912 -18.198 1.00 99.99 H new ATOM 0 HH21 ARG B 45 -3.645 -1.466 -16.588 1.00 99.99 H new ATOM 0 HH22 ARG B 45 -2.567 -1.797 -17.948 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 -10.384 -6.441 -17.675 1.00 99.99 C ATOM 792 O LEU B 46 -11.075 -5.453 -17.431 1.00 99.99 O ATOM 793 CB LEU B 46 -10.790 -7.605 -15.563 1.00 99.99 C ATOM 794 CG LEU B 46 -10.358 -8.398 -14.305 1.00 99.99 C ATOM 795 CD1 LEU B 46 -11.557 -8.473 -13.341 1.00 99.99 C ATOM 796 CD2 LEU B 46 -9.845 -9.807 -14.622 1.00 99.99 C ATOM 0 H LEU B 46 -8.858 -6.085 -15.004 1.00 99.99 H new ATOM 0 HA LEU B 46 -9.189 -8.108 -16.914 1.00 99.99 H new ATOM 0 HB2 LEU B 46 -11.289 -6.694 -15.232 1.00 99.99 H new ATOM 0 HB3 LEU B 46 -11.532 -8.199 -16.097 1.00 99.99 H new ATOM 0 HG LEU B 46 -9.521 -7.870 -13.849 1.00 99.99 H new ATOM 0 HD11 LEU B 46 -11.272 -9.029 -12.448 1.00 99.99 H new ATOM 0 HD12 LEU B 46 -11.861 -7.465 -13.059 1.00 99.99 H new ATOM 0 HD13 LEU B 46 -12.388 -8.979 -13.833 1.00 99.99 H new ATOM 0 HD21 LEU B 46 -9.559 -10.307 -13.697 1.00 99.99 H new ATOM 0 HD22 LEU B 46 -10.632 -10.378 -15.115 1.00 99.99 H new ATOM 0 HD23 LEU B 46 -8.979 -9.739 -15.280 1.00 99.99 H new TER 808 LEU B 46 ATOM 809 N SER C 22 -0.595 -10.410 18.982 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 -1.442 -7.868 18.466 1.00 99.99 O ATOM 813 CB SER C 22 -2.515 -11.011 17.462 1.00 99.99 C ATOM 814 OG SER C 22 -3.538 -10.779 18.428 1.00 99.99 O ATOM 0 HA SER C 22 -0.532 -10.358 16.895 1.00 99.99 H new ATOM 0 HB2 SER C 22 -2.917 -10.829 16.465 1.00 99.99 H new ATOM 0 HB3 SER C 22 -2.220 -12.060 17.500 1.00 99.99 H new ATOM 0 HG SER C 22 -4.302 -11.365 18.243 1.00 99.99 H new ATOM 819 N SER C 23 -2.075 -8.274 16.325 1.00 99.99 N ATOM 820 CA SER C 23 -2.553 -6.944 16.032 1.00 99.99 C ATOM 821 C SER C 23 -3.977 -7.116 15.566 1.00 99.99 C ATOM 822 O SER C 23 -4.567 -8.182 15.743 1.00 99.99 O ATOM 823 CB SER C 23 -1.699 -6.223 14.961 1.00 99.99 C ATOM 824 OG SER C 23 -0.369 -6.043 15.431 1.00 99.99 O ATOM 0 H SER C 23 -2.134 -8.908 15.528 1.00 99.99 H new ATOM 0 HA SER C 23 -2.485 -6.312 16.917 1.00 99.99 H new ATOM 0 HB2 SER C 23 -1.691 -6.805 14.040 1.00 99.99 H new ATOM 0 HB3 SER C 23 -2.142 -5.256 14.723 1.00 99.99 H new ATOM 0 HG SER C 23 0.162 -5.588 14.744 1.00 99.99 H new ATOM 830 N ASP C 24 -4.578 -6.049 14.979 1.00 99.99 N ATOM 831 CA ASP C 24 -5.982 -6.013 14.611 1.00 99.99 C ATOM 832 C ASP C 24 -6.133 -6.604 13.226 1.00 99.99 C ATOM 833 O ASP C 24 -5.190 -6.504 12.449 1.00 99.99 O ATOM 834 CB ASP C 24 -6.544 -4.564 14.589 1.00 99.99 C ATOM 835 CG ASP C 24 -6.478 -3.912 15.973 1.00 99.99 C ATOM 836 OD1 ASP C 24 -6.397 -4.648 16.995 1.00 99.99 O ATOM 837 OD2 ASP C 24 -6.521 -2.654 16.024 1.00 99.99 O ATOM 0 H ASP C 24 -4.079 -5.189 14.753 1.00 99.99 H new ATOM 0 HA ASP C 24 -6.539 -6.582 15.355 1.00 99.99 H new ATOM 0 HB2 ASP C 24 -5.978 -3.964 13.876 1.00 99.99 H new ATOM 0 HB3 ASP C 24 -7.577 -4.579 14.242 1.00 99.99 H new ATOM 842 N PRO C 25 -7.244 -7.241 12.848 1.00 99.99 N ATOM 843 CA PRO C 25 -7.292 -8.113 11.683 1.00 99.99 C ATOM 844 C PRO C 25 -7.304 -7.351 10.377 1.00 99.99 C ATOM 845 O PRO C 25 -6.885 -7.932 9.389 1.00 99.99 O ATOM 846 CB PRO C 25 -8.588 -8.922 11.856 1.00 99.99 C ATOM 847 CG PRO C 25 -9.460 -8.053 12.765 1.00 99.99 C ATOM 848 CD PRO C 25 -8.431 -7.401 13.685 1.00 99.99 C ATOM 0 HA PRO C 25 -6.402 -8.740 11.630 1.00 99.99 H new ATOM 0 HB2 PRO C 25 -9.073 -9.106 10.897 1.00 99.99 H new ATOM 0 HB3 PRO C 25 -8.392 -9.895 12.306 1.00 99.99 H new ATOM 0 HG2 PRO C 25 -10.025 -7.313 12.199 1.00 99.99 H new ATOM 0 HG3 PRO C 25 -10.184 -8.648 13.322 1.00 99.99 H new ATOM 0 HD2 PRO C 25 -8.785 -6.441 14.060 1.00 99.99 H new ATOM 0 HD3 PRO C 25 -8.223 -8.025 14.554 1.00 99.99 H new ATOM 856 N LEU C 26 -7.781 -6.085 10.355 1.00 99.99 N ATOM 857 CA LEU C 26 -7.768 -5.149 9.238 1.00 99.99 C ATOM 858 C LEU C 26 -6.340 -4.695 8.977 1.00 99.99 C ATOM 859 O LEU C 26 -5.945 -4.630 7.840 1.00 99.99 O ATOM 860 CB LEU C 26 -8.582 -3.877 9.513 1.00 99.99 C ATOM 861 CG LEU C 26 -8.444 -2.738 8.477 1.00 99.99 C ATOM 862 CD1 LEU C 26 -8.974 -3.128 7.095 1.00 99.99 C ATOM 863 CD2 LEU C 26 -9.143 -1.470 8.986 1.00 99.99 C ATOM 0 H LEU C 26 -8.213 -5.674 11.183 1.00 99.99 H new ATOM 0 HA LEU C 26 -8.205 -5.679 8.392 1.00 99.99 H new ATOM 0 HB2 LEU C 26 -9.634 -4.152 9.581 1.00 99.99 H new ATOM 0 HB3 LEU C 26 -8.291 -3.489 10.489 1.00 99.99 H new ATOM 0 HG LEU C 26 -7.379 -2.540 8.359 1.00 99.99 H new ATOM 0 HD11 LEU C 26 -8.851 -2.290 6.409 1.00 99.99 H new ATOM 0 HD12 LEU C 26 -8.418 -3.988 6.721 1.00 99.99 H new ATOM 0 HD13 LEU C 26 -10.031 -3.384 7.170 1.00 99.99 H new ATOM 0 HD21 LEU C 26 -9.038 -0.675 8.247 1.00 99.99 H new ATOM 0 HD22 LEU C 26 -10.201 -1.678 9.148 1.00 99.99 H new ATOM 0 HD23 LEU C 26 -8.687 -1.155 9.925 1.00 99.99 H new ATOM 875 N VAL C 27 -5.648 -4.403 9.991 1.00 99.99 N ATOM 876 CA VAL C 27 -4.271 -3.931 9.887 1.00 99.99 C ATOM 877 C VAL C 27 -3.387 -5.062 9.383 1.00 99.99 C ATOM 878 O VAL C 27 -2.595 -4.838 8.503 1.00 99.99 O ATOM 879 CB VAL C 27 -3.687 -3.493 11.237 1.00 99.99 C ATOM 880 CG1 VAL C 27 -2.199 -3.119 11.092 1.00 99.99 C ATOM 881 CG2 VAL C 27 -4.472 -2.273 11.768 1.00 99.99 C ATOM 0 H VAL C 27 -5.993 -4.473 10.948 1.00 99.99 H new ATOM 0 HA VAL C 27 -4.291 -3.077 9.210 1.00 99.99 H new ATOM 0 HB VAL C 27 -3.772 -4.324 11.938 1.00 99.99 H new ATOM 0 HG11 VAL C 27 -1.805 -2.812 12.061 1.00 99.99 H new ATOM 0 HG12 VAL C 27 -1.640 -3.982 10.731 1.00 99.99 H new ATOM 0 HG13 VAL C 27 -2.098 -2.298 10.382 1.00 99.99 H new ATOM 0 HG21 VAL C 27 -4.057 -1.962 12.727 1.00 99.99 H new ATOM 0 HG22 VAL C 27 -4.394 -1.452 11.056 1.00 99.99 H new ATOM 0 HG23 VAL C 27 -5.520 -2.543 11.897 1.00 99.99 H new ATOM 891 N VAL C 28 -3.538 -6.186 9.937 1.00 99.99 N ATOM 892 CA VAL C 28 -2.739 -7.351 9.572 1.00 99.99 C ATOM 893 C VAL C 28 -3.130 -7.809 8.175 1.00 99.99 C ATOM 894 O VAL C 28 -2.263 -8.114 7.395 1.00 99.99 O ATOM 895 CB VAL C 28 -2.969 -8.548 10.503 1.00 99.99 C ATOM 896 CG1 VAL C 28 -2.247 -9.808 9.983 1.00 99.99 C ATOM 897 CG2 VAL C 28 -2.480 -8.204 11.924 1.00 99.99 C ATOM 0 H VAL C 28 -4.221 -6.365 10.673 1.00 99.99 H new ATOM 0 HA VAL C 28 -1.696 -7.042 9.639 1.00 99.99 H new ATOM 0 HB VAL C 28 -4.038 -8.761 10.529 1.00 99.99 H new ATOM 0 HG11 VAL C 28 -2.429 -10.639 10.664 1.00 99.99 H new ATOM 0 HG12 VAL C 28 -2.625 -10.061 8.993 1.00 99.99 H new ATOM 0 HG13 VAL C 28 -1.176 -9.615 9.924 1.00 99.99 H new ATOM 0 HG21 VAL C 28 -2.645 -9.057 12.582 1.00 99.99 H new ATOM 0 HG22 VAL C 28 -1.416 -7.968 11.896 1.00 99.99 H new ATOM 0 HG23 VAL C 28 -3.032 -7.343 12.300 1.00 99.99 H new ATOM 907 N ALA C 29 -4.364 -7.851 7.919 1.00 99.99 N ATOM 908 CA ALA C 29 -4.880 -8.298 6.629 1.00 99.99 C ATOM 909 C ALA C 29 -4.379 -7.364 5.537 1.00 99.99 C ATOM 910 O ALA C 29 -4.003 -7.837 4.493 1.00 99.99 O ATOM 911 CB ALA C 29 -6.412 -8.265 6.555 1.00 99.99 C ATOM 0 H ALA C 29 -5.088 -7.579 8.585 1.00 99.99 H new ATOM 0 HA ALA C 29 -4.536 -9.324 6.500 1.00 99.99 H new ATOM 0 HB1 ALA C 29 -6.736 -8.608 5.573 1.00 99.99 H new ATOM 0 HB2 ALA C 29 -6.827 -8.918 7.323 1.00 99.99 H new ATOM 0 HB3 ALA C 29 -6.762 -7.246 6.717 1.00 99.99 H new ATOM 917 N ALA C 30 -4.395 -6.130 5.796 1.00 99.99 N ATOM 918 CA ALA C 30 -3.966 -5.124 4.832 1.00 99.99 C ATOM 919 C ALA C 30 -2.491 -5.320 4.519 1.00 99.99 C ATOM 920 O ALA C 30 -2.096 -5.098 3.401 1.00 99.99 O ATOM 921 CB ALA C 30 -4.108 -3.691 5.363 1.00 99.99 C ATOM 0 H ALA C 30 -4.705 -5.745 6.688 1.00 99.99 H new ATOM 0 HA ALA C 30 -4.603 -5.249 3.957 1.00 99.99 H new ATOM 0 HB1 ALA C 30 -3.773 -2.986 4.602 1.00 99.99 H new ATOM 0 HB2 ALA C 30 -5.152 -3.495 5.606 1.00 99.99 H new ATOM 0 HB3 ALA C 30 -3.499 -3.573 6.259 1.00 99.99 H new ATOM 927 N SER C 31 -1.760 -5.709 5.469 1.00 99.99 N ATOM 928 CA SER C 31 -0.324 -5.914 5.317 1.00 99.99 C ATOM 929 C SER C 31 -0.079 -6.997 4.277 1.00 99.99 C ATOM 930 O SER C 31 0.758 -6.817 3.428 1.00 99.99 O ATOM 931 CB SER C 31 0.352 -6.391 6.608 1.00 99.99 C ATOM 932 OG SER C 31 0.293 -5.382 7.615 1.00 99.99 O ATOM 0 H SER C 31 -2.111 -5.908 6.406 1.00 99.99 H new ATOM 0 HA SER C 31 0.094 -4.949 5.030 1.00 99.99 H new ATOM 0 HB2 SER C 31 -0.137 -7.297 6.966 1.00 99.99 H new ATOM 0 HB3 SER C 31 1.392 -6.648 6.406 1.00 99.99 H new ATOM 0 HG SER C 31 -0.640 -5.232 7.874 1.00 99.99 H new ATOM 938 N ILE C 32 -0.778 -8.044 4.376 1.00 99.99 N ATOM 939 CA ILE C 32 -0.630 -9.171 3.464 1.00 99.99 C ATOM 940 C ILE C 32 -1.010 -8.737 2.057 1.00 99.99 C ATOM 941 O ILE C 32 -0.383 -9.163 1.122 1.00 99.99 O ATOM 942 CB ILE C 32 -1.548 -10.349 3.817 1.00 99.99 C ATOM 943 CG1 ILE C 32 -1.140 -10.953 5.179 1.00 99.99 C ATOM 944 CG2 ILE C 32 -1.497 -11.435 2.722 1.00 99.99 C ATOM 945 CD1 ILE C 32 -2.207 -11.886 5.766 1.00 99.99 C ATOM 0 H ILE C 32 -1.491 -8.180 5.093 1.00 99.99 H new ATOM 0 HA ILE C 32 0.410 -9.490 3.540 1.00 99.99 H new ATOM 0 HB ILE C 32 -2.570 -9.976 3.883 1.00 99.99 H new ATOM 0 HG12 ILE C 32 -0.208 -11.506 5.060 1.00 99.99 H new ATOM 0 HG13 ILE C 32 -0.944 -10.145 5.884 1.00 99.99 H new ATOM 0 HG21 ILE C 32 -2.156 -12.259 2.996 1.00 99.99 H new ATOM 0 HG22 ILE C 32 -1.823 -11.010 1.773 1.00 99.99 H new ATOM 0 HG23 ILE C 32 -0.476 -11.804 2.623 1.00 99.99 H new ATOM 0 HD11 ILE C 32 -1.861 -12.278 6.722 1.00 99.99 H new ATOM 0 HD12 ILE C 32 -3.133 -11.331 5.915 1.00 99.99 H new ATOM 0 HD13 ILE C 32 -2.386 -12.713 5.078 1.00 99.99 H new ATOM 957 N ILE C 33 -1.985 -7.943 1.958 1.00 99.99 N ATOM 958 CA ILE C 33 -2.477 -7.464 0.671 1.00 99.99 C ATOM 959 C ILE C 33 -1.373 -6.687 -0.033 1.00 99.99 C ATOM 960 O ILE C 33 -1.146 -6.913 -1.194 1.00 99.99 O ATOM 961 CB ILE C 33 -3.664 -6.501 0.803 1.00 99.99 C ATOM 962 CG1 ILE C 33 -4.959 -7.335 0.970 1.00 99.99 C ATOM 963 CG2 ILE C 33 -3.776 -5.548 -0.400 1.00 99.99 C ATOM 964 CD1 ILE C 33 -6.168 -6.546 1.485 1.00 99.99 C ATOM 0 H ILE C 33 -2.499 -7.579 2.760 1.00 99.99 H new ATOM 0 HA ILE C 33 -2.792 -8.349 0.118 1.00 99.99 H new ATOM 0 HB ILE C 33 -3.509 -5.871 1.679 1.00 99.99 H new ATOM 0 HG12 ILE C 33 -5.215 -7.779 0.008 1.00 99.99 H new ATOM 0 HG13 ILE C 33 -4.759 -8.157 1.657 1.00 99.99 H new ATOM 0 HG21 ILE C 33 -4.631 -4.886 -0.261 1.00 99.99 H new ATOM 0 HG22 ILE C 33 -2.866 -4.954 -0.479 1.00 99.99 H new ATOM 0 HG23 ILE C 33 -3.911 -6.128 -1.313 1.00 99.99 H new ATOM 0 HD11 ILE C 33 -7.027 -7.211 1.570 1.00 99.99 H new ATOM 0 HD12 ILE C 33 -5.937 -6.124 2.463 1.00 99.99 H new ATOM 0 HD13 ILE C 33 -6.400 -5.741 0.788 1.00 99.99 H new ATOM 976 N GLY C 34 -0.752 -5.836 0.662 1.00 99.99 N ATOM 977 CA GLY C 34 0.313 -5.005 0.109 1.00 99.99 C ATOM 978 C GLY C 34 1.485 -5.886 -0.288 1.00 99.99 C ATOM 979 O GLY C 34 2.108 -5.617 -1.284 1.00 99.99 O ATOM 0 H GLY C 34 -0.943 -5.665 1.649 1.00 99.99 H new ATOM 0 HA2 GLY C 34 -0.053 -4.455 -0.758 1.00 99.99 H new ATOM 0 HA3 GLY C 34 0.632 -4.266 0.844 1.00 99.99 H new ATOM 983 N ILE C 35 1.435 -7.155 0.083 1.00 99.99 N ATOM 984 CA ILE C 35 2.489 -8.032 -0.420 1.00 99.99 C ATOM 985 C ILE C 35 1.995 -8.752 -1.665 1.00 99.99 C ATOM 986 O ILE C 35 2.708 -8.797 -2.635 1.00 99.99 O ATOM 987 CB ILE C 35 2.886 -9.124 0.582 1.00 99.99 C ATOM 988 CG1 ILE C 35 3.395 -8.487 1.900 1.00 99.99 C ATOM 989 CG2 ILE C 35 3.974 -10.029 -0.034 1.00 99.99 C ATOM 990 CD1 ILE C 35 3.524 -9.458 3.077 1.00 99.99 C ATOM 0 H ILE C 35 0.732 -7.582 0.686 1.00 99.99 H new ATOM 0 HA ILE C 35 3.350 -7.393 -0.615 1.00 99.99 H new ATOM 0 HB ILE C 35 2.010 -9.731 0.810 1.00 99.99 H new ATOM 0 HG12 ILE C 35 4.368 -8.032 1.715 1.00 99.99 H new ATOM 0 HG13 ILE C 35 2.716 -7.683 2.184 1.00 99.99 H new ATOM 0 HG21 ILE C 35 4.252 -10.803 0.682 1.00 99.99 H new ATOM 0 HG22 ILE C 35 3.589 -10.495 -0.941 1.00 99.99 H new ATOM 0 HG23 ILE C 35 4.851 -9.429 -0.279 1.00 99.99 H new ATOM 0 HD11 ILE C 35 3.887 -8.921 3.954 1.00 99.99 H new ATOM 0 HD12 ILE C 35 2.550 -9.895 3.296 1.00 99.99 H new ATOM 0 HD13 ILE C 35 4.228 -10.250 2.820 1.00 99.99 H new ATOM 1002 N LEU C 36 0.846 -9.268 -1.599 1.00 99.99 N ATOM 1003 CA LEU C 36 0.260 -10.012 -2.710 1.00 99.99 C ATOM 1004 C LEU C 36 0.144 -9.097 -3.920 1.00 99.99 C ATOM 1005 O LEU C 36 0.427 -9.528 -5.008 1.00 99.99 O ATOM 1006 CB LEU C 36 -1.158 -10.513 -2.409 1.00 99.99 C ATOM 1007 CG LEU C 36 -1.886 -11.192 -3.588 1.00 99.99 C ATOM 1008 CD1 LEU C 36 -1.155 -12.468 -4.030 1.00 99.99 C ATOM 1009 CD2 LEU C 36 -3.347 -11.496 -3.233 1.00 99.99 C ATOM 0 H LEU C 36 0.246 -9.206 -0.777 1.00 99.99 H new ATOM 0 HA LEU C 36 0.913 -10.867 -2.886 1.00 99.99 H new ATOM 0 HB2 LEU C 36 -1.107 -11.220 -1.581 1.00 99.99 H new ATOM 0 HB3 LEU C 36 -1.759 -9.669 -2.071 1.00 99.99 H new ATOM 0 HG LEU C 36 -1.881 -10.495 -4.426 1.00 99.99 H new ATOM 0 HD11 LEU C 36 -1.691 -12.925 -4.862 1.00 99.99 H new ATOM 0 HD12 LEU C 36 -0.142 -12.217 -4.345 1.00 99.99 H new ATOM 0 HD13 LEU C 36 -1.112 -13.170 -3.197 1.00 99.99 H new ATOM 0 HD21 LEU C 36 -3.836 -11.974 -4.082 1.00 99.99 H new ATOM 0 HD22 LEU C 36 -3.381 -12.163 -2.372 1.00 99.99 H new ATOM 0 HD23 LEU C 36 -3.864 -10.567 -2.993 1.00 99.99 H new ATOM 1021 N HIS C 37 -0.295 -7.831 -3.736 1.00 99.99 N ATOM 1022 CA HIS C 37 -0.507 -6.870 -4.792 1.00 99.99 C ATOM 1023 C HIS C 37 0.796 -6.556 -5.475 1.00 99.99 C ATOM 1024 O HIS C 37 0.816 -6.204 -6.652 1.00 99.99 O ATOM 1025 CB HIS C 37 -1.120 -5.556 -4.249 1.00 99.99 C ATOM 1026 CG HIS C 37 -1.542 -4.583 -5.320 1.00 99.99 C ATOM 1027 ND1 HIS C 37 -1.787 -3.262 -5.058 1.00 99.99 N ATOM 1028 CD2 HIS C 37 -1.806 -4.783 -6.634 1.00 99.99 C ATOM 1029 CE1 HIS C 37 -2.176 -2.678 -6.182 1.00 99.99 C ATOM 1030 NE2 HIS C 37 -2.195 -3.579 -7.154 1.00 99.99 N ATOM 0 H HIS C 37 -0.512 -7.459 -2.812 1.00 99.99 H new ATOM 0 HA HIS C 37 -1.205 -7.313 -5.502 1.00 99.99 H new ATOM 0 HB2 HIS C 37 -1.986 -5.799 -3.633 1.00 99.99 H new ATOM 0 HB3 HIS C 37 -0.393 -5.070 -3.599 1.00 99.99 H new ATOM 0 HD2 HIS C 37 -1.725 -5.717 -7.170 1.00 99.99 H new ATOM 0 HE1 HIS C 37 -2.436 -1.635 -6.289 1.00 99.99 H new ATOM 0 HE2 HIS C 37 -2.455 -3.404 -8.125 1.00 99.99 H new ATOM 1038 N LEU C 38 1.924 -6.720 -4.742 1.00 99.99 N ATOM 1039 CA LEU C 38 3.261 -6.483 -5.273 1.00 99.99 C ATOM 1040 C LEU C 38 3.619 -7.593 -6.250 1.00 99.99 C ATOM 1041 O LEU C 38 4.131 -7.306 -7.302 1.00 99.99 O ATOM 1042 CB LEU C 38 4.348 -6.494 -4.189 1.00 99.99 C ATOM 1043 CG LEU C 38 5.775 -6.268 -4.744 1.00 99.99 C ATOM 1044 CD1 LEU C 38 5.895 -4.925 -5.476 1.00 99.99 C ATOM 1045 CD2 LEU C 38 6.841 -6.378 -3.654 1.00 99.99 C ATOM 0 H LEU C 38 1.917 -7.021 -3.767 1.00 99.99 H new ATOM 0 HA LEU C 38 3.232 -5.499 -5.741 1.00 99.99 H new ATOM 0 HB2 LEU C 38 4.125 -5.720 -3.455 1.00 99.99 H new ATOM 0 HB3 LEU C 38 4.318 -7.449 -3.665 1.00 99.99 H new ATOM 0 HG LEU C 38 5.953 -7.066 -5.465 1.00 99.99 H new ATOM 0 HD11 LEU C 38 6.912 -4.804 -5.850 1.00 99.99 H new ATOM 0 HD12 LEU C 38 5.195 -4.902 -6.312 1.00 99.99 H new ATOM 0 HD13 LEU C 38 5.663 -4.113 -4.787 1.00 99.99 H new ATOM 0 HD21 LEU C 38 7.826 -6.212 -4.090 1.00 99.99 H new ATOM 0 HD22 LEU C 38 6.654 -5.628 -2.885 1.00 99.99 H new ATOM 0 HD23 LEU C 38 6.804 -7.372 -3.208 1.00 99.99 H new ATOM 1057 N ILE C 39 3.354 -8.770 -5.887 1.00 99.99 N ATOM 1058 CA ILE C 39 3.668 -9.932 -6.711 1.00 99.99 C ATOM 1059 C ILE C 39 2.837 -9.882 -7.984 1.00 99.99 C ATOM 1060 O ILE C 39 3.364 -10.133 -9.039 1.00 99.99 O ATOM 1061 CB ILE C 39 3.329 -11.262 -6.024 1.00 99.99 C ATOM 1062 CG1 ILE C 39 4.262 -11.481 -4.813 1.00 99.99 C ATOM 1063 CG2 ILE C 39 3.459 -12.430 -7.025 1.00 99.99 C ATOM 1064 CD1 ILE C 39 3.885 -12.693 -3.951 1.00 99.99 C ATOM 0 H ILE C 39 2.905 -8.999 -5.000 1.00 99.99 H new ATOM 0 HA ILE C 39 4.740 -9.892 -6.903 1.00 99.99 H new ATOM 0 HB ILE C 39 2.299 -11.226 -5.671 1.00 99.99 H new ATOM 0 HG12 ILE C 39 5.284 -11.606 -5.172 1.00 99.99 H new ATOM 0 HG13 ILE C 39 4.250 -10.586 -4.190 1.00 99.99 H new ATOM 0 HG21 ILE C 39 3.216 -13.367 -6.524 1.00 99.99 H new ATOM 0 HG22 ILE C 39 2.772 -12.274 -7.857 1.00 99.99 H new ATOM 0 HG23 ILE C 39 4.481 -12.474 -7.401 1.00 99.99 H new ATOM 0 HD11 ILE C 39 4.586 -12.781 -3.121 1.00 99.99 H new ATOM 0 HD12 ILE C 39 2.875 -12.562 -3.561 1.00 99.99 H new ATOM 0 HD13 ILE C 39 3.926 -13.598 -4.558 1.00 99.99 H new ATOM 1076 N LEU C 40 1.619 -9.584 -7.853 1.00 99.99 N ATOM 1077 CA LEU C 40 0.701 -9.525 -8.983 1.00 99.99 C ATOM 1078 C LEU C 40 1.174 -8.460 -9.962 1.00 99.99 C ATOM 1079 O LEU C 40 1.163 -8.703 -11.142 1.00 99.99 O ATOM 1080 CB LEU C 40 -0.725 -9.134 -8.577 1.00 99.99 C ATOM 1081 CG LEU C 40 -1.509 -10.204 -7.785 1.00 99.99 C ATOM 1082 CD1 LEU C 40 -2.872 -9.632 -7.349 1.00 99.99 C ATOM 1083 CD2 LEU C 40 -1.717 -11.493 -8.592 1.00 99.99 C ATOM 0 H LEU C 40 1.187 -9.364 -6.956 1.00 99.99 H new ATOM 0 HA LEU C 40 0.689 -10.525 -9.417 1.00 99.99 H new ATOM 0 HB2 LEU C 40 -0.677 -8.226 -7.976 1.00 99.99 H new ATOM 0 HB3 LEU C 40 -1.287 -8.891 -9.479 1.00 99.99 H new ATOM 0 HG LEU C 40 -0.915 -10.464 -6.909 1.00 99.99 H new ATOM 0 HD11 LEU C 40 -3.423 -10.389 -6.791 1.00 99.99 H new ATOM 0 HD12 LEU C 40 -2.714 -8.758 -6.717 1.00 99.99 H new ATOM 0 HD13 LEU C 40 -3.444 -9.344 -8.231 1.00 99.99 H new ATOM 0 HD21 LEU C 40 -2.273 -12.213 -7.991 1.00 99.99 H new ATOM 0 HD22 LEU C 40 -2.278 -11.268 -9.499 1.00 99.99 H new ATOM 0 HD23 LEU C 40 -0.748 -11.915 -8.860 1.00 99.99 H new ATOM 1095 N TRP C 41 1.554 -7.364 -9.464 1.00 99.99 N ATOM 1096 CA TRP C 41 2.006 -6.248 -10.285 1.00 99.99 C ATOM 1097 C TRP C 41 3.326 -6.615 -10.946 1.00 99.99 C ATOM 1098 O TRP C 41 3.495 -6.345 -12.109 1.00 99.99 O ATOM 1099 CB TRP C 41 2.268 -4.974 -9.470 1.00 99.99 C ATOM 1100 CG TRP C 41 2.638 -3.767 -10.312 1.00 99.99 C ATOM 1101 CD1 TRP C 41 1.795 -2.982 -11.037 1.00 99.99 C ATOM 1102 CD2 TRP C 41 3.971 -3.301 -10.584 1.00 99.99 C ATOM 1103 NE1 TRP C 41 2.497 -2.002 -11.680 1.00 99.99 N ATOM 1104 CE2 TRP C 41 3.837 -2.201 -11.453 1.00 99.99 C ATOM 1105 CE3 TRP C 41 5.224 -3.738 -10.142 1.00 99.99 C ATOM 1106 CZ2 TRP C 41 4.953 -1.501 -11.886 1.00 99.99 C ATOM 1107 CZ3 TRP C 41 6.344 -3.037 -10.593 1.00 99.99 C ATOM 1108 CH2 TRP C 41 6.218 -1.932 -11.453 1.00 99.99 C ATOM 0 H TRP C 41 1.574 -7.177 -8.461 1.00 99.99 H new ATOM 0 HA TRP C 41 1.211 -6.055 -11.005 1.00 99.99 H new ATOM 0 HB2 TRP C 41 1.377 -4.738 -8.887 1.00 99.99 H new ATOM 0 HB3 TRP C 41 3.071 -5.168 -8.760 1.00 99.99 H new ATOM 0 HD1 TRP C 41 0.725 -3.115 -11.096 1.00 99.99 H new ATOM 0 HE1 TRP C 41 2.093 -1.248 -12.236 1.00 99.99 H new ATOM 0 HE3 TRP C 41 5.321 -4.584 -9.478 1.00 99.99 H new ATOM 0 HZ2 TRP C 41 4.852 -0.647 -12.539 1.00 99.99 H new ATOM 0 HZ3 TRP C 41 7.327 -3.350 -10.275 1.00 99.99 H new ATOM 0 HH2 TRP C 41 7.103 -1.409 -11.784 1.00 99.99 H new ATOM 1119 N ILE C 42 4.184 -7.183 -10.215 1.00 99.99 N ATOM 1120 CA ILE C 42 5.503 -7.566 -10.711 1.00 99.99 C ATOM 1121 C ILE C 42 5.348 -8.666 -11.750 1.00 99.99 C ATOM 1122 O ILE C 42 6.014 -8.620 -12.754 1.00 99.99 O ATOM 1123 CB ILE C 42 6.411 -8.133 -9.615 1.00 99.99 C ATOM 1124 CG1 ILE C 42 6.850 -7.004 -8.651 1.00 99.99 C ATOM 1125 CG2 ILE C 42 7.649 -8.823 -10.227 1.00 99.99 C ATOM 1126 CD1 ILE C 42 7.688 -7.500 -7.463 1.00 99.99 C ATOM 0 H ILE C 42 4.025 -7.415 -9.235 1.00 99.99 H new ATOM 0 HA ILE C 42 5.953 -6.660 -11.117 1.00 99.99 H new ATOM 0 HB ILE C 42 5.847 -8.879 -9.055 1.00 99.99 H new ATOM 0 HG12 ILE C 42 7.427 -6.266 -9.208 1.00 99.99 H new ATOM 0 HG13 ILE C 42 5.963 -6.496 -8.272 1.00 99.99 H new ATOM 0 HG21 ILE C 42 8.278 -9.217 -9.429 1.00 99.99 H new ATOM 0 HG22 ILE C 42 7.328 -9.640 -10.873 1.00 99.99 H new ATOM 0 HG23 ILE C 42 8.217 -8.100 -10.812 1.00 99.99 H new ATOM 0 HD11 ILE C 42 7.959 -6.654 -6.831 1.00 99.99 H new ATOM 0 HD12 ILE C 42 7.107 -8.216 -6.882 1.00 99.99 H new ATOM 0 HD13 ILE C 42 8.593 -7.982 -7.832 1.00 99.99 H new ATOM 1138 N LEU C 43 4.520 -9.581 -11.487 1.00 99.99 N ATOM 1139 CA LEU C 43 4.293 -10.709 -12.381 1.00 99.99 C ATOM 1140 C LEU C 43 3.686 -10.205 -13.683 1.00 99.99 C ATOM 1141 O LEU C 43 3.981 -10.750 -14.717 1.00 99.99 O ATOM 1142 CB LEU C 43 3.303 -11.732 -11.811 1.00 99.99 C ATOM 1143 CG LEU C 43 3.838 -12.532 -10.600 1.00 99.99 C ATOM 1144 CD1 LEU C 43 2.696 -13.326 -9.939 1.00 99.99 C ATOM 1145 CD2 LEU C 43 4.979 -13.482 -10.996 1.00 99.99 C ATOM 0 H LEU C 43 3.953 -9.602 -10.639 1.00 99.99 H new ATOM 0 HA LEU C 43 5.262 -11.187 -12.523 1.00 99.99 H new ATOM 0 HB2 LEU C 43 2.392 -11.212 -11.514 1.00 99.99 H new ATOM 0 HB3 LEU C 43 3.027 -12.432 -12.600 1.00 99.99 H new ATOM 0 HG LEU C 43 4.240 -11.813 -9.887 1.00 99.99 H new ATOM 0 HD11 LEU C 43 3.086 -13.885 -9.088 1.00 99.99 H new ATOM 0 HD12 LEU C 43 1.924 -12.637 -9.597 1.00 99.99 H new ATOM 0 HD13 LEU C 43 2.269 -14.020 -10.663 1.00 99.99 H new ATOM 0 HD21 LEU C 43 5.324 -14.023 -10.115 1.00 99.99 H new ATOM 0 HD22 LEU C 43 4.619 -14.192 -11.740 1.00 99.99 H new ATOM 0 HD23 LEU C 43 5.804 -12.905 -11.414 1.00 99.99 H new ATOM 1157 N ASP C 44 2.887 -9.233 -13.594 1.00 99.99 N ATOM 1158 CA ASP C 44 2.214 -8.667 -14.755 1.00 99.99 C ATOM 1159 C ASP C 44 3.243 -8.000 -15.659 1.00 99.99 C ATOM 1160 O ASP C 44 3.152 -8.139 -16.854 1.00 99.99 O ATOM 1161 CB ASP C 44 1.195 -7.580 -14.387 1.00 99.99 C ATOM 1162 CG ASP C 44 0.426 -7.053 -15.615 1.00 99.99 C ATOM 1163 OD1 ASP C 44 -0.355 -7.833 -16.208 1.00 99.99 O ATOM 1164 OD2 ASP C 44 0.566 -5.840 -15.957 1.00 99.99 O ATOM 0 H ASP C 44 2.653 -8.774 -12.714 1.00 99.99 H new ATOM 0 HA ASP C 44 1.696 -9.495 -15.240 1.00 99.99 H new ATOM 0 HB2 ASP C 44 0.486 -7.981 -13.663 1.00 99.99 H new ATOM 0 HB3 ASP C 44 1.711 -6.751 -13.902 1.00 99.99 H new ATOM 1169 N ARG C 45 4.142 -7.325 -15.089 1.00 99.99 N ATOM 1170 CA ARG C 45 5.177 -6.615 -15.832 1.00 99.99 C ATOM 1171 C ARG C 45 6.034 -7.618 -16.590 1.00 99.99 C ATOM 1172 O ARG C 45 6.349 -7.376 -17.727 1.00 99.99 O ATOM 1173 CB ARG C 45 6.134 -5.831 -14.923 1.00 99.99 C ATOM 1174 CG ARG C 45 5.456 -4.674 -14.160 1.00 99.99 C ATOM 1175 CD ARG C 45 5.167 -3.455 -15.045 1.00 99.99 C ATOM 1176 NE ARG C 45 3.763 -3.571 -15.579 1.00 99.99 N ATOM 1177 CZ ARG C 45 3.382 -2.914 -16.690 1.00 99.99 C ATOM 1178 NH1 ARG C 45 4.227 -2.109 -17.358 1.00 99.99 N ATOM 1179 NH2 ARG C 45 2.113 -3.053 -17.109 1.00 99.99 N ATOM 0 H ARG C 45 4.214 -7.224 -14.077 1.00 99.99 H new ATOM 0 HA ARG C 45 4.656 -5.921 -16.491 1.00 99.99 H new ATOM 0 HB2 ARG C 45 6.581 -6.517 -14.203 1.00 99.99 H new ATOM 0 HB3 ARG C 45 6.947 -5.429 -15.527 1.00 99.99 H new ATOM 0 HG2 ARG C 45 4.521 -5.031 -13.728 1.00 99.99 H new ATOM 0 HG3 ARG C 45 6.095 -4.370 -13.331 1.00 99.99 H new ATOM 0 HD2 ARG C 45 5.278 -2.535 -14.470 1.00 99.99 H new ATOM 0 HD3 ARG C 45 5.881 -3.406 -15.867 1.00 99.99 H new ATOM 0 HE ARG C 45 3.088 -4.159 -15.089 1.00 99.99 H new ATOM 0 HH11 ARG C 45 5.183 -1.984 -17.025 1.00 99.99 H new ATOM 0 HH12 ARG C 45 3.912 -1.623 -18.198 1.00 99.99 H new ATOM 0 HH21 ARG C 45 1.466 -3.645 -16.588 1.00 99.99 H new ATOM 0 HH22 ARG C 45 1.797 -2.567 -17.948 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 6.441 -10.384 -17.675 1.00 99.99 C ATOM 1196 O LEU C 46 5.453 -11.075 -17.431 1.00 99.99 O ATOM 1197 CB LEU C 46 7.605 -10.790 -15.563 1.00 99.99 C ATOM 1198 CG LEU C 46 8.398 -10.358 -14.305 1.00 99.99 C ATOM 1199 CD1 LEU C 46 8.473 -11.557 -13.341 1.00 99.99 C ATOM 1200 CD2 LEU C 46 9.807 -9.845 -14.622 1.00 99.99 C ATOM 0 H LEU C 46 6.085 -8.858 -15.004 1.00 99.99 H new ATOM 0 HA LEU C 46 8.108 -9.189 -16.914 1.00 99.99 H new ATOM 0 HB2 LEU C 46 6.694 -11.289 -15.232 1.00 99.99 H new ATOM 0 HB3 LEU C 46 8.199 -11.532 -16.097 1.00 99.99 H new ATOM 0 HG LEU C 46 7.870 -9.521 -13.849 1.00 99.99 H new ATOM 0 HD11 LEU C 46 9.029 -11.272 -12.448 1.00 99.99 H new ATOM 0 HD12 LEU C 46 7.465 -11.861 -13.059 1.00 99.99 H new ATOM 0 HD13 LEU C 46 8.979 -12.388 -13.833 1.00 99.99 H new ATOM 0 HD21 LEU C 46 10.307 -9.559 -13.697 1.00 99.99 H new ATOM 0 HD22 LEU C 46 10.378 -10.632 -15.115 1.00 99.99 H new ATOM 0 HD23 LEU C 46 9.739 -8.979 -15.280 1.00 99.99 H new TER 1212 LEU C 46 ATOM 1213 N SER D 22 10.410 -0.595 18.982 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 7.868 -1.442 18.466 1.00 99.99 O ATOM 1217 CB SER D 22 11.011 -2.515 17.462 1.00 99.99 C ATOM 1218 OG SER D 22 10.779 -3.538 18.428 1.00 99.99 O ATOM 0 HA SER D 22 10.358 -0.532 16.895 1.00 99.99 H new ATOM 0 HB2 SER D 22 10.829 -2.917 16.465 1.00 99.99 H new ATOM 0 HB3 SER D 22 12.060 -2.220 17.500 1.00 99.99 H new ATOM 0 HG SER D 22 11.365 -4.302 18.243 1.00 99.99 H new ATOM 1223 N SER D 23 8.274 -2.075 16.325 1.00 99.99 N ATOM 1224 CA SER D 23 6.944 -2.553 16.032 1.00 99.99 C ATOM 1225 C SER D 23 7.116 -3.977 15.566 1.00 99.99 C ATOM 1226 O SER D 23 8.182 -4.567 15.743 1.00 99.99 O ATOM 1227 CB SER D 23 6.223 -1.699 14.961 1.00 99.99 C ATOM 1228 OG SER D 23 6.043 -0.369 15.431 1.00 99.99 O ATOM 0 H SER D 23 8.908 -2.134 15.528 1.00 99.99 H new ATOM 0 HA SER D 23 6.312 -2.485 16.917 1.00 99.99 H new ATOM 0 HB2 SER D 23 6.805 -1.691 14.040 1.00 99.99 H new ATOM 0 HB3 SER D 23 5.256 -2.142 14.723 1.00 99.99 H new ATOM 0 HG SER D 23 5.588 0.162 14.744 1.00 99.99 H new ATOM 1234 N ASP D 24 6.049 -4.578 14.979 1.00 99.99 N ATOM 1235 CA ASP D 24 6.013 -5.982 14.611 1.00 99.99 C ATOM 1236 C ASP D 24 6.604 -6.133 13.226 1.00 99.99 C ATOM 1237 O ASP D 24 6.504 -5.190 12.449 1.00 99.99 O ATOM 1238 CB ASP D 24 4.564 -6.544 14.589 1.00 99.99 C ATOM 1239 CG ASP D 24 3.912 -6.478 15.973 1.00 99.99 C ATOM 1240 OD1 ASP D 24 4.648 -6.397 16.995 1.00 99.99 O ATOM 1241 OD2 ASP D 24 2.654 -6.521 16.024 1.00 99.99 O ATOM 0 H ASP D 24 5.189 -4.079 14.753 1.00 99.99 H new ATOM 0 HA ASP D 24 6.582 -6.539 15.355 1.00 99.99 H new ATOM 0 HB2 ASP D 24 3.964 -5.978 13.876 1.00 99.99 H new ATOM 0 HB3 ASP D 24 4.579 -7.577 14.242 1.00 99.99 H new ATOM 1246 N PRO D 25 7.241 -7.244 12.848 1.00 99.99 N ATOM 1247 CA PRO D 25 8.113 -7.292 11.683 1.00 99.99 C ATOM 1248 C PRO D 25 7.351 -7.304 10.377 1.00 99.99 C ATOM 1249 O PRO D 25 7.932 -6.885 9.389 1.00 99.99 O ATOM 1250 CB PRO D 25 8.922 -8.588 11.856 1.00 99.99 C ATOM 1251 CG PRO D 25 8.053 -9.460 12.765 1.00 99.99 C ATOM 1252 CD PRO D 25 7.401 -8.431 13.685 1.00 99.99 C ATOM 0 HA PRO D 25 8.740 -6.402 11.630 1.00 99.99 H new ATOM 0 HB2 PRO D 25 9.106 -9.073 10.897 1.00 99.99 H new ATOM 0 HB3 PRO D 25 9.895 -8.392 12.306 1.00 99.99 H new ATOM 0 HG2 PRO D 25 7.313 -10.025 12.199 1.00 99.99 H new ATOM 0 HG3 PRO D 25 8.648 -10.184 13.322 1.00 99.99 H new ATOM 0 HD2 PRO D 25 6.441 -8.785 14.060 1.00 99.99 H new ATOM 0 HD3 PRO D 25 8.025 -8.223 14.554 1.00 99.99 H new ATOM 1260 N LEU D 26 6.085 -7.781 10.355 1.00 99.99 N ATOM 1261 CA LEU D 26 5.149 -7.768 9.238 1.00 99.99 C ATOM 1262 C LEU D 26 4.695 -6.340 8.977 1.00 99.99 C ATOM 1263 O LEU D 26 4.630 -5.945 7.840 1.00 99.99 O ATOM 1264 CB LEU D 26 3.877 -8.582 9.513 1.00 99.99 C ATOM 1265 CG LEU D 26 2.738 -8.444 8.477 1.00 99.99 C ATOM 1266 CD1 LEU D 26 3.128 -8.974 7.095 1.00 99.99 C ATOM 1267 CD2 LEU D 26 1.470 -9.143 8.986 1.00 99.99 C ATOM 0 H LEU D 26 5.674 -8.213 11.183 1.00 99.99 H new ATOM 0 HA LEU D 26 5.679 -8.205 8.392 1.00 99.99 H new ATOM 0 HB2 LEU D 26 4.152 -9.634 9.581 1.00 99.99 H new ATOM 0 HB3 LEU D 26 3.489 -8.291 10.489 1.00 99.99 H new ATOM 0 HG LEU D 26 2.540 -7.379 8.359 1.00 99.99 H new ATOM 0 HD11 LEU D 26 2.290 -8.851 6.409 1.00 99.99 H new ATOM 0 HD12 LEU D 26 3.988 -8.418 6.721 1.00 99.99 H new ATOM 0 HD13 LEU D 26 3.384 -10.031 7.170 1.00 99.99 H new ATOM 0 HD21 LEU D 26 0.675 -9.038 8.247 1.00 99.99 H new ATOM 0 HD22 LEU D 26 1.678 -10.201 9.148 1.00 99.99 H new ATOM 0 HD23 LEU D 26 1.155 -8.687 9.925 1.00 99.99 H new ATOM 1279 N VAL D 27 4.403 -5.648 9.991 1.00 99.99 N ATOM 1280 CA VAL D 27 3.931 -4.271 9.887 1.00 99.99 C ATOM 1281 C VAL D 27 5.062 -3.387 9.383 1.00 99.99 C ATOM 1282 O VAL D 27 4.838 -2.595 8.503 1.00 99.99 O ATOM 1283 CB VAL D 27 3.493 -3.687 11.237 1.00 99.99 C ATOM 1284 CG1 VAL D 27 3.119 -2.199 11.092 1.00 99.99 C ATOM 1285 CG2 VAL D 27 2.273 -4.472 11.768 1.00 99.99 C ATOM 0 H VAL D 27 4.473 -5.993 10.948 1.00 99.99 H new ATOM 0 HA VAL D 27 3.077 -4.291 9.210 1.00 99.99 H new ATOM 0 HB VAL D 27 4.324 -3.772 11.938 1.00 99.99 H new ATOM 0 HG11 VAL D 27 2.812 -1.805 12.061 1.00 99.99 H new ATOM 0 HG12 VAL D 27 3.982 -1.640 10.731 1.00 99.99 H new ATOM 0 HG13 VAL D 27 2.298 -2.098 10.382 1.00 99.99 H new ATOM 0 HG21 VAL D 27 1.962 -4.057 12.727 1.00 99.99 H new ATOM 0 HG22 VAL D 27 1.452 -4.394 11.056 1.00 99.99 H new ATOM 0 HG23 VAL D 27 2.543 -5.520 11.897 1.00 99.99 H new ATOM 1295 N VAL D 28 6.186 -3.538 9.937 1.00 99.99 N ATOM 1296 CA VAL D 28 7.351 -2.739 9.572 1.00 99.99 C ATOM 1297 C VAL D 28 7.809 -3.130 8.175 1.00 99.99 C ATOM 1298 O VAL D 28 8.114 -2.263 7.395 1.00 99.99 O ATOM 1299 CB VAL D 28 8.548 -2.969 10.503 1.00 99.99 C ATOM 1300 CG1 VAL D 28 9.808 -2.247 9.983 1.00 99.99 C ATOM 1301 CG2 VAL D 28 8.204 -2.480 11.924 1.00 99.99 C ATOM 0 H VAL D 28 6.365 -4.221 10.673 1.00 99.99 H new ATOM 0 HA VAL D 28 7.042 -1.696 9.639 1.00 99.99 H new ATOM 0 HB VAL D 28 8.761 -4.038 10.529 1.00 99.99 H new ATOM 0 HG11 VAL D 28 10.639 -2.429 10.664 1.00 99.99 H new ATOM 0 HG12 VAL D 28 10.061 -2.625 8.993 1.00 99.99 H new ATOM 0 HG13 VAL D 28 9.615 -1.176 9.924 1.00 99.99 H new ATOM 0 HG21 VAL D 28 9.057 -2.645 12.582 1.00 99.99 H new ATOM 0 HG22 VAL D 28 7.968 -1.416 11.896 1.00 99.99 H new ATOM 0 HG23 VAL D 28 7.343 -3.032 12.300 1.00 99.99 H new ATOM 1311 N ALA D 29 7.851 -4.364 7.919 1.00 99.99 N ATOM 1312 CA ALA D 29 8.298 -4.880 6.629 1.00 99.99 C ATOM 1313 C ALA D 29 7.364 -4.379 5.537 1.00 99.99 C ATOM 1314 O ALA D 29 7.837 -4.003 4.493 1.00 99.99 O ATOM 1315 CB ALA D 29 8.265 -6.412 6.555 1.00 99.99 C ATOM 0 H ALA D 29 7.579 -5.088 8.585 1.00 99.99 H new ATOM 0 HA ALA D 29 9.324 -4.536 6.500 1.00 99.99 H new ATOM 0 HB1 ALA D 29 8.608 -6.736 5.573 1.00 99.99 H new ATOM 0 HB2 ALA D 29 8.918 -6.827 7.323 1.00 99.99 H new ATOM 0 HB3 ALA D 29 7.246 -6.762 6.717 1.00 99.99 H new ATOM 1321 N ALA D 30 6.130 -4.395 5.796 1.00 99.99 N ATOM 1322 CA ALA D 30 5.124 -3.966 4.832 1.00 99.99 C ATOM 1323 C ALA D 30 5.320 -2.491 4.519 1.00 99.99 C ATOM 1324 O ALA D 30 5.098 -2.096 3.401 1.00 99.99 O ATOM 1325 CB ALA D 30 3.691 -4.108 5.363 1.00 99.99 C ATOM 0 H ALA D 30 5.745 -4.705 6.688 1.00 99.99 H new ATOM 0 HA ALA D 30 5.249 -4.603 3.957 1.00 99.99 H new ATOM 0 HB1 ALA D 30 2.986 -3.773 4.602 1.00 99.99 H new ATOM 0 HB2 ALA D 30 3.495 -5.152 5.606 1.00 99.99 H new ATOM 0 HB3 ALA D 30 3.573 -3.499 6.259 1.00 99.99 H new ATOM 1331 N SER D 31 5.709 -1.760 5.469 1.00 99.99 N ATOM 1332 CA SER D 31 5.914 -0.324 5.317 1.00 99.99 C ATOM 1333 C SER D 31 6.997 -0.079 4.277 1.00 99.99 C ATOM 1334 O SER D 31 6.817 0.758 3.428 1.00 99.99 O ATOM 1335 CB SER D 31 6.391 0.352 6.608 1.00 99.99 C ATOM 1336 OG SER D 31 5.382 0.293 7.615 1.00 99.99 O ATOM 0 H SER D 31 5.908 -2.111 6.406 1.00 99.99 H new ATOM 0 HA SER D 31 4.949 0.094 5.030 1.00 99.99 H new ATOM 0 HB2 SER D 31 7.297 -0.137 6.966 1.00 99.99 H new ATOM 0 HB3 SER D 31 6.648 1.392 6.406 1.00 99.99 H new ATOM 0 HG SER D 31 5.244 -0.639 7.885 1.00 99.99 H new ATOM 1342 N ILE D 32 8.044 -0.778 4.376 1.00 99.99 N ATOM 1343 CA ILE D 32 9.171 -0.630 3.464 1.00 99.99 C ATOM 1344 C ILE D 32 8.737 -1.010 2.057 1.00 99.99 C ATOM 1345 O ILE D 32 9.163 -0.383 1.122 1.00 99.99 O ATOM 1346 CB ILE D 32 10.349 -1.548 3.817 1.00 99.99 C ATOM 1347 CG1 ILE D 32 10.953 -1.140 5.179 1.00 99.99 C ATOM 1348 CG2 ILE D 32 11.435 -1.497 2.722 1.00 99.99 C ATOM 1349 CD1 ILE D 32 11.886 -2.207 5.766 1.00 99.99 C ATOM 0 H ILE D 32 8.180 -1.491 5.093 1.00 99.99 H new ATOM 0 HA ILE D 32 9.490 0.410 3.540 1.00 99.99 H new ATOM 0 HB ILE D 32 9.976 -2.570 3.883 1.00 99.99 H new ATOM 0 HG12 ILE D 32 11.506 -0.208 5.060 1.00 99.99 H new ATOM 0 HG13 ILE D 32 10.145 -0.944 5.884 1.00 99.99 H new ATOM 0 HG21 ILE D 32 12.259 -2.156 2.996 1.00 99.99 H new ATOM 0 HG22 ILE D 32 11.010 -1.823 1.773 1.00 99.99 H new ATOM 0 HG23 ILE D 32 11.804 -0.476 2.623 1.00 99.99 H new ATOM 0 HD11 ILE D 32 12.278 -1.861 6.722 1.00 99.99 H new ATOM 0 HD12 ILE D 32 11.331 -3.133 5.915 1.00 99.99 H new ATOM 0 HD13 ILE D 32 12.713 -2.386 5.078 1.00 99.99 H new ATOM 1361 N ILE D 33 7.943 -1.985 1.958 1.00 99.99 N ATOM 1362 CA ILE D 33 7.464 -2.477 0.671 1.00 99.99 C ATOM 1363 C ILE D 33 6.687 -1.373 -0.033 1.00 99.99 C ATOM 1364 O ILE D 33 6.913 -1.146 -1.194 1.00 99.99 O ATOM 1365 CB ILE D 33 6.501 -3.664 0.803 1.00 99.99 C ATOM 1366 CG1 ILE D 33 7.335 -4.959 0.970 1.00 99.99 C ATOM 1367 CG2 ILE D 33 5.548 -3.776 -0.400 1.00 99.99 C ATOM 1368 CD1 ILE D 33 6.546 -6.168 1.485 1.00 99.99 C ATOM 0 H ILE D 33 7.579 -2.499 2.760 1.00 99.99 H new ATOM 0 HA ILE D 33 8.349 -2.792 0.118 1.00 99.99 H new ATOM 0 HB ILE D 33 5.871 -3.509 1.679 1.00 99.99 H new ATOM 0 HG12 ILE D 33 7.779 -5.215 0.008 1.00 99.99 H new ATOM 0 HG13 ILE D 33 8.157 -4.759 1.657 1.00 99.99 H new ATOM 0 HG21 ILE D 33 4.886 -4.631 -0.261 1.00 99.99 H new ATOM 0 HG22 ILE D 33 4.954 -2.866 -0.479 1.00 99.99 H new ATOM 0 HG23 ILE D 33 6.128 -3.911 -1.313 1.00 99.99 H new ATOM 0 HD11 ILE D 33 7.211 -7.027 1.570 1.00 99.99 H new ATOM 0 HD12 ILE D 33 6.124 -5.937 2.463 1.00 99.99 H new ATOM 0 HD13 ILE D 33 5.741 -6.400 0.788 1.00 99.99 H new ATOM 1380 N GLY D 34 5.836 -0.752 0.662 1.00 99.99 N ATOM 1381 CA GLY D 34 5.005 0.313 0.109 1.00 99.99 C ATOM 1382 C GLY D 34 5.886 1.485 -0.288 1.00 99.99 C ATOM 1383 O GLY D 34 5.617 2.108 -1.284 1.00 99.99 O ATOM 0 H GLY D 34 5.665 -0.943 1.649 1.00 99.99 H new ATOM 0 HA2 GLY D 34 4.455 -0.053 -0.758 1.00 99.99 H new ATOM 0 HA3 GLY D 34 4.266 0.632 0.844 1.00 99.99 H new ATOM 1387 N ILE D 35 7.155 1.435 0.083 1.00 99.99 N ATOM 1388 CA ILE D 35 8.032 2.489 -0.420 1.00 99.99 C ATOM 1389 C ILE D 35 8.752 1.995 -1.665 1.00 99.99 C ATOM 1390 O ILE D 35 8.797 2.708 -2.635 1.00 99.99 O ATOM 1391 CB ILE D 35 9.124 2.886 0.582 1.00 99.99 C ATOM 1392 CG1 ILE D 35 8.487 3.395 1.900 1.00 99.99 C ATOM 1393 CG2 ILE D 35 10.029 3.974 -0.034 1.00 99.99 C ATOM 1394 CD1 ILE D 35 9.458 3.524 3.077 1.00 99.99 C ATOM 0 H ILE D 35 7.582 0.732 0.686 1.00 99.99 H new ATOM 0 HA ILE D 35 7.393 3.350 -0.615 1.00 99.99 H new ATOM 0 HB ILE D 35 9.731 2.010 0.810 1.00 99.99 H new ATOM 0 HG12 ILE D 35 8.032 4.368 1.715 1.00 99.99 H new ATOM 0 HG13 ILE D 35 7.683 2.716 2.184 1.00 99.99 H new ATOM 0 HG21 ILE D 35 10.803 4.252 0.682 1.00 99.99 H new ATOM 0 HG22 ILE D 35 10.495 3.589 -0.941 1.00 99.99 H new ATOM 0 HG23 ILE D 35 9.429 4.851 -0.279 1.00 99.99 H new ATOM 0 HD11 ILE D 35 8.921 3.887 3.954 1.00 99.99 H new ATOM 0 HD12 ILE D 35 9.895 2.550 3.296 1.00 99.99 H new ATOM 0 HD13 ILE D 35 10.250 4.228 2.820 1.00 99.99 H new ATOM 1406 N LEU D 36 9.268 0.846 -1.599 1.00 99.99 N ATOM 1407 CA LEU D 36 10.012 0.260 -2.710 1.00 99.99 C ATOM 1408 C LEU D 36 9.097 0.144 -3.920 1.00 99.99 C ATOM 1409 O LEU D 36 9.528 0.427 -5.008 1.00 99.99 O ATOM 1410 CB LEU D 36 10.513 -1.158 -2.409 1.00 99.99 C ATOM 1411 CG LEU D 36 11.192 -1.886 -3.588 1.00 99.99 C ATOM 1412 CD1 LEU D 36 12.468 -1.155 -4.030 1.00 99.99 C ATOM 1413 CD2 LEU D 36 11.496 -3.347 -3.233 1.00 99.99 C ATOM 0 H LEU D 36 9.206 0.246 -0.777 1.00 99.99 H new ATOM 0 HA LEU D 36 10.867 0.913 -2.886 1.00 99.99 H new ATOM 0 HB2 LEU D 36 11.220 -1.107 -1.581 1.00 99.99 H new ATOM 0 HB3 LEU D 36 9.669 -1.759 -2.071 1.00 99.99 H new ATOM 0 HG LEU D 36 10.495 -1.881 -4.426 1.00 99.99 H new ATOM 0 HD11 LEU D 36 12.925 -1.691 -4.862 1.00 99.99 H new ATOM 0 HD12 LEU D 36 12.217 -0.142 -4.345 1.00 99.99 H new ATOM 0 HD13 LEU D 36 13.170 -1.112 -3.197 1.00 99.99 H new ATOM 0 HD21 LEU D 36 11.974 -3.836 -4.082 1.00 99.99 H new ATOM 0 HD22 LEU D 36 12.163 -3.381 -2.372 1.00 99.99 H new ATOM 0 HD23 LEU D 36 10.567 -3.864 -2.993 1.00 99.99 H new ATOM 1425 N HIS D 37 7.831 -0.295 -3.736 1.00 99.99 N ATOM 1426 CA HIS D 37 6.870 -0.507 -4.792 1.00 99.99 C ATOM 1427 C HIS D 37 6.556 0.796 -5.475 1.00 99.99 C ATOM 1428 O HIS D 37 6.204 0.816 -6.652 1.00 99.99 O ATOM 1429 CB HIS D 37 5.556 -1.120 -4.249 1.00 99.99 C ATOM 1430 CG HIS D 37 4.583 -1.542 -5.320 1.00 99.99 C ATOM 1431 ND1 HIS D 37 3.262 -1.787 -5.058 1.00 99.99 N ATOM 1432 CD2 HIS D 37 4.783 -1.806 -6.634 1.00 99.99 C ATOM 1433 CE1 HIS D 37 2.678 -2.176 -6.182 1.00 99.99 C ATOM 1434 NE2 HIS D 37 3.579 -2.195 -7.154 1.00 99.99 N ATOM 0 H HIS D 37 7.459 -0.512 -2.812 1.00 99.99 H new ATOM 0 HA HIS D 37 7.313 -1.205 -5.502 1.00 99.99 H new ATOM 0 HB2 HIS D 37 5.799 -1.986 -3.633 1.00 99.99 H new ATOM 0 HB3 HIS D 37 5.070 -0.393 -3.599 1.00 99.99 H new ATOM 0 HD2 HIS D 37 5.717 -1.725 -7.170 1.00 99.99 H new ATOM 0 HE1 HIS D 37 1.635 -2.436 -6.289 1.00 99.99 H new ATOM 0 HE2 HIS D 37 3.404 -2.455 -8.125 1.00 99.99 H new ATOM 1442 N LEU D 38 6.720 1.924 -4.742 1.00 99.99 N ATOM 1443 CA LEU D 38 6.483 3.261 -5.273 1.00 99.99 C ATOM 1444 C LEU D 38 7.593 3.619 -6.250 1.00 99.99 C ATOM 1445 O LEU D 38 7.306 4.131 -7.302 1.00 99.99 O ATOM 1446 CB LEU D 38 6.494 4.348 -4.189 1.00 99.99 C ATOM 1447 CG LEU D 38 6.268 5.775 -4.744 1.00 99.99 C ATOM 1448 CD1 LEU D 38 4.925 5.895 -5.476 1.00 99.99 C ATOM 1449 CD2 LEU D 38 6.378 6.841 -3.654 1.00 99.99 C ATOM 0 H LEU D 38 7.021 1.917 -3.767 1.00 99.99 H new ATOM 0 HA LEU D 38 5.499 3.232 -5.741 1.00 99.99 H new ATOM 0 HB2 LEU D 38 5.720 4.125 -3.455 1.00 99.99 H new ATOM 0 HB3 LEU D 38 7.449 4.318 -3.665 1.00 99.99 H new ATOM 0 HG LEU D 38 7.066 5.953 -5.465 1.00 99.99 H new ATOM 0 HD11 LEU D 38 4.804 6.912 -5.850 1.00 99.99 H new ATOM 0 HD12 LEU D 38 4.902 5.195 -6.312 1.00 99.99 H new ATOM 0 HD13 LEU D 38 4.113 5.663 -4.787 1.00 99.99 H new ATOM 0 HD21 LEU D 38 6.212 7.826 -4.090 1.00 99.99 H new ATOM 0 HD22 LEU D 38 5.628 6.654 -2.885 1.00 99.99 H new ATOM 0 HD23 LEU D 38 7.372 6.804 -3.208 1.00 99.99 H new ATOM 1461 N ILE D 39 8.770 3.354 -5.887 1.00 99.99 N ATOM 1462 CA ILE D 39 9.932 3.668 -6.711 1.00 99.99 C ATOM 1463 C ILE D 39 9.882 2.837 -7.984 1.00 99.99 C ATOM 1464 O ILE D 39 10.133 3.364 -9.039 1.00 99.99 O ATOM 1465 CB ILE D 39 11.262 3.329 -6.024 1.00 99.99 C ATOM 1466 CG1 ILE D 39 11.481 4.262 -4.813 1.00 99.99 C ATOM 1467 CG2 ILE D 39 12.430 3.459 -7.025 1.00 99.99 C ATOM 1468 CD1 ILE D 39 12.693 3.885 -3.951 1.00 99.99 C ATOM 0 H ILE D 39 8.999 2.905 -5.000 1.00 99.99 H new ATOM 0 HA ILE D 39 9.892 4.740 -6.903 1.00 99.99 H new ATOM 0 HB ILE D 39 11.226 2.299 -5.671 1.00 99.99 H new ATOM 0 HG12 ILE D 39 11.606 5.284 -5.172 1.00 99.99 H new ATOM 0 HG13 ILE D 39 10.586 4.250 -4.190 1.00 99.99 H new ATOM 0 HG21 ILE D 39 13.367 3.216 -6.524 1.00 99.99 H new ATOM 0 HG22 ILE D 39 12.274 2.772 -7.857 1.00 99.99 H new ATOM 0 HG23 ILE D 39 12.474 4.481 -7.401 1.00 99.99 H new ATOM 0 HD11 ILE D 39 12.781 4.586 -3.121 1.00 99.99 H new ATOM 0 HD12 ILE D 39 12.562 2.875 -3.561 1.00 99.99 H new ATOM 0 HD13 ILE D 39 13.598 3.926 -4.558 1.00 99.99 H new ATOM 1480 N LEU D 40 9.584 1.619 -7.853 1.00 99.99 N ATOM 1481 CA LEU D 40 9.525 0.701 -8.983 1.00 99.99 C ATOM 1482 C LEU D 40 8.460 1.174 -9.962 1.00 99.99 C ATOM 1483 O LEU D 40 8.703 1.163 -11.142 1.00 99.99 O ATOM 1484 CB LEU D 40 9.134 -0.725 -8.577 1.00 99.99 C ATOM 1485 CG LEU D 40 10.204 -1.509 -7.785 1.00 99.99 C ATOM 1486 CD1 LEU D 40 9.632 -2.872 -7.349 1.00 99.99 C ATOM 1487 CD2 LEU D 40 11.493 -1.717 -8.592 1.00 99.99 C ATOM 0 H LEU D 40 9.364 1.187 -6.956 1.00 99.99 H new ATOM 0 HA LEU D 40 10.525 0.689 -9.417 1.00 99.99 H new ATOM 0 HB2 LEU D 40 8.226 -0.677 -7.976 1.00 99.99 H new ATOM 0 HB3 LEU D 40 8.891 -1.287 -9.479 1.00 99.99 H new ATOM 0 HG LEU D 40 10.464 -0.915 -6.909 1.00 99.99 H new ATOM 0 HD11 LEU D 40 10.389 -3.423 -6.791 1.00 99.99 H new ATOM 0 HD12 LEU D 40 8.758 -2.714 -6.717 1.00 99.99 H new ATOM 0 HD13 LEU D 40 9.344 -3.444 -8.231 1.00 99.99 H new ATOM 0 HD21 LEU D 40 12.213 -2.273 -7.991 1.00 99.99 H new ATOM 0 HD22 LEU D 40 11.268 -2.278 -9.499 1.00 99.99 H new ATOM 0 HD23 LEU D 40 11.915 -0.748 -8.860 1.00 99.99 H new ATOM 1499 N TRP D 41 7.364 1.554 -9.464 1.00 99.99 N ATOM 1500 CA TRP D 41 6.248 2.006 -10.285 1.00 99.99 C ATOM 1501 C TRP D 41 6.615 3.326 -10.946 1.00 99.99 C ATOM 1502 O TRP D 41 6.345 3.495 -12.109 1.00 99.99 O ATOM 1503 CB TRP D 41 4.974 2.268 -9.470 1.00 99.99 C ATOM 1504 CG TRP D 41 3.767 2.638 -10.312 1.00 99.99 C ATOM 1505 CD1 TRP D 41 2.982 1.795 -11.037 1.00 99.99 C ATOM 1506 CD2 TRP D 41 3.301 3.971 -10.584 1.00 99.99 C ATOM 1507 NE1 TRP D 41 2.002 2.497 -11.680 1.00 99.99 N ATOM 1508 CE2 TRP D 41 2.201 3.837 -11.453 1.00 99.99 C ATOM 1509 CE3 TRP D 41 3.738 5.224 -10.142 1.00 99.99 C ATOM 1510 CZ2 TRP D 41 1.501 4.953 -11.886 1.00 99.99 C ATOM 1511 CZ3 TRP D 41 3.037 6.344 -10.593 1.00 99.99 C ATOM 1512 CH2 TRP D 41 1.932 6.218 -11.453 1.00 99.99 C ATOM 0 H TRP D 41 7.177 1.574 -8.461 1.00 99.99 H new ATOM 0 HA TRP D 41 6.055 1.211 -11.005 1.00 99.99 H new ATOM 0 HB2 TRP D 41 4.738 1.377 -8.887 1.00 99.99 H new ATOM 0 HB3 TRP D 41 5.168 3.071 -8.760 1.00 99.99 H new ATOM 0 HD1 TRP D 41 3.115 0.725 -11.096 1.00 99.99 H new ATOM 0 HE1 TRP D 41 1.248 2.093 -12.236 1.00 99.99 H new ATOM 0 HE3 TRP D 41 4.584 5.321 -9.478 1.00 99.99 H new ATOM 0 HZ2 TRP D 41 0.647 4.852 -12.539 1.00 99.99 H new ATOM 0 HZ3 TRP D 41 3.350 7.327 -10.275 1.00 99.99 H new ATOM 0 HH2 TRP D 41 1.409 7.103 -11.784 1.00 99.99 H new ATOM 1523 N ILE D 42 7.183 4.184 -10.215 1.00 99.99 N ATOM 1524 CA ILE D 42 7.566 5.503 -10.711 1.00 99.99 C ATOM 1525 C ILE D 42 8.666 5.348 -11.750 1.00 99.99 C ATOM 1526 O ILE D 42 8.620 6.014 -12.754 1.00 99.99 O ATOM 1527 CB ILE D 42 8.133 6.411 -9.615 1.00 99.99 C ATOM 1528 CG1 ILE D 42 7.004 6.850 -8.651 1.00 99.99 C ATOM 1529 CG2 ILE D 42 8.823 7.649 -10.227 1.00 99.99 C ATOM 1530 CD1 ILE D 42 7.500 7.688 -7.463 1.00 99.99 C ATOM 0 H ILE D 42 7.415 4.025 -9.235 1.00 99.99 H new ATOM 0 HA ILE D 42 6.660 5.953 -11.117 1.00 99.99 H new ATOM 0 HB ILE D 42 8.879 5.847 -9.055 1.00 99.99 H new ATOM 0 HG12 ILE D 42 6.266 7.427 -9.208 1.00 99.99 H new ATOM 0 HG13 ILE D 42 6.496 5.963 -8.272 1.00 99.99 H new ATOM 0 HG21 ILE D 42 9.217 8.278 -9.429 1.00 99.99 H new ATOM 0 HG22 ILE D 42 9.640 7.328 -10.873 1.00 99.99 H new ATOM 0 HG23 ILE D 42 8.100 8.217 -10.812 1.00 99.99 H new ATOM 0 HD11 ILE D 42 6.654 7.959 -6.831 1.00 99.99 H new ATOM 0 HD12 ILE D 42 8.216 7.107 -6.882 1.00 99.99 H new ATOM 0 HD13 ILE D 42 7.982 8.593 -7.832 1.00 99.99 H new ATOM 1542 N LEU D 43 9.581 4.520 -11.487 1.00 99.99 N ATOM 1543 CA LEU D 43 10.709 4.293 -12.381 1.00 99.99 C ATOM 1544 C LEU D 43 10.205 3.686 -13.683 1.00 99.99 C ATOM 1545 O LEU D 43 10.750 3.981 -14.717 1.00 99.99 O ATOM 1546 CB LEU D 43 11.732 3.303 -11.811 1.00 99.99 C ATOM 1547 CG LEU D 43 12.532 3.838 -10.600 1.00 99.99 C ATOM 1548 CD1 LEU D 43 13.326 2.696 -9.939 1.00 99.99 C ATOM 1549 CD2 LEU D 43 13.482 4.979 -10.996 1.00 99.99 C ATOM 0 H LEU D 43 9.602 3.953 -10.639 1.00 99.99 H new ATOM 0 HA LEU D 43 11.187 5.262 -12.523 1.00 99.99 H new ATOM 0 HB2 LEU D 43 11.212 2.392 -11.514 1.00 99.99 H new ATOM 0 HB3 LEU D 43 12.432 3.027 -12.600 1.00 99.99 H new ATOM 0 HG LEU D 43 11.813 4.240 -9.887 1.00 99.99 H new ATOM 0 HD11 LEU D 43 13.885 3.086 -9.088 1.00 99.99 H new ATOM 0 HD12 LEU D 43 12.637 1.924 -9.597 1.00 99.99 H new ATOM 0 HD13 LEU D 43 14.020 2.269 -10.663 1.00 99.99 H new ATOM 0 HD21 LEU D 43 14.023 5.324 -10.115 1.00 99.99 H new ATOM 0 HD22 LEU D 43 14.192 4.619 -11.740 1.00 99.99 H new ATOM 0 HD23 LEU D 43 12.905 5.804 -11.414 1.00 99.99 H new ATOM 1561 N ASP D 44 9.233 2.887 -13.594 1.00 99.99 N ATOM 1562 CA ASP D 44 8.667 2.214 -14.755 1.00 99.99 C ATOM 1563 C ASP D 44 8.000 3.243 -15.659 1.00 99.99 C ATOM 1564 O ASP D 44 8.139 3.152 -16.854 1.00 99.99 O ATOM 1565 CB ASP D 44 7.580 1.195 -14.387 1.00 99.99 C ATOM 1566 CG ASP D 44 7.053 0.426 -15.615 1.00 99.99 C ATOM 1567 OD1 ASP D 44 7.833 -0.355 -16.208 1.00 99.99 O ATOM 1568 OD2 ASP D 44 5.840 0.566 -15.957 1.00 99.99 O ATOM 0 H ASP D 44 8.774 2.653 -12.714 1.00 99.99 H new ATOM 0 HA ASP D 44 9.495 1.696 -15.240 1.00 99.99 H new ATOM 0 HB2 ASP D 44 7.981 0.486 -13.663 1.00 99.99 H new ATOM 0 HB3 ASP D 44 6.751 1.711 -13.902 1.00 99.99 H new ATOM 1573 N ARG D 45 7.325 4.142 -15.089 1.00 99.99 N ATOM 1574 CA ARG D 45 6.615 5.177 -15.832 1.00 99.99 C ATOM 1575 C ARG D 45 7.618 6.034 -16.590 1.00 99.99 C ATOM 1576 O ARG D 45 7.376 6.349 -17.727 1.00 99.99 O ATOM 1577 CB ARG D 45 5.831 6.134 -14.923 1.00 99.99 C ATOM 1578 CG ARG D 45 4.674 5.456 -14.160 1.00 99.99 C ATOM 1579 CD ARG D 45 3.455 5.167 -15.045 1.00 99.99 C ATOM 1580 NE ARG D 45 3.571 3.763 -15.579 1.00 99.99 N ATOM 1581 CZ ARG D 45 2.914 3.382 -16.690 1.00 99.99 C ATOM 1582 NH1 ARG D 45 2.109 4.227 -17.358 1.00 99.99 N ATOM 1583 NH2 ARG D 45 3.053 2.113 -17.109 1.00 99.99 N ATOM 0 H ARG D 45 7.224 4.214 -14.077 1.00 99.99 H new ATOM 0 HA ARG D 45 5.921 4.656 -16.491 1.00 99.99 H new ATOM 0 HB2 ARG D 45 6.517 6.581 -14.203 1.00 99.99 H new ATOM 0 HB3 ARG D 45 5.429 6.947 -15.527 1.00 99.99 H new ATOM 0 HG2 ARG D 45 5.031 4.521 -13.728 1.00 99.99 H new ATOM 0 HG3 ARG D 45 4.370 6.095 -13.331 1.00 99.99 H new ATOM 0 HD2 ARG D 45 2.535 5.278 -14.470 1.00 99.99 H new ATOM 0 HD3 ARG D 45 3.406 5.881 -15.867 1.00 99.99 H new ATOM 0 HE ARG D 45 4.159 3.088 -15.089 1.00 99.99 H new ATOM 0 HH11 ARG D 45 1.984 5.183 -17.025 1.00 99.99 H new ATOM 0 HH12 ARG D 45 1.623 3.912 -18.198 1.00 99.99 H new ATOM 0 HH21 ARG D 45 3.645 1.466 -16.588 1.00 99.99 H new ATOM 0 HH22 ARG D 45 2.567 1.797 -17.948 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 10.384 6.441 -17.675 1.00 99.99 C ATOM 1600 O LEU D 46 11.075 5.453 -17.431 1.00 99.99 O ATOM 1601 CB LEU D 46 10.790 7.605 -15.563 1.00 99.99 C ATOM 1602 CG LEU D 46 10.358 8.398 -14.305 1.00 99.99 C ATOM 1603 CD1 LEU D 46 11.557 8.473 -13.341 1.00 99.99 C ATOM 1604 CD2 LEU D 46 9.845 9.807 -14.622 1.00 99.99 C ATOM 0 H LEU D 46 8.858 6.085 -15.004 1.00 99.99 H new ATOM 0 HA LEU D 46 9.189 8.108 -16.914 1.00 99.99 H new ATOM 0 HB2 LEU D 46 11.289 6.694 -15.232 1.00 99.99 H new ATOM 0 HB3 LEU D 46 11.532 8.199 -16.097 1.00 99.99 H new ATOM 0 HG LEU D 46 9.521 7.870 -13.849 1.00 99.99 H new ATOM 0 HD11 LEU D 46 11.272 9.029 -12.448 1.00 99.99 H new ATOM 0 HD12 LEU D 46 11.861 7.465 -13.059 1.00 99.99 H new ATOM 0 HD13 LEU D 46 12.388 8.979 -13.833 1.00 99.99 H new ATOM 0 HD21 LEU D 46 9.559 10.307 -13.697 1.00 99.99 H new ATOM 0 HD22 LEU D 46 10.632 10.378 -15.115 1.00 99.99 H new ATOM 0 HD23 LEU D 46 8.979 9.739 -15.280 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