USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 844 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 68:sc= 0.357 USER MOD Single : A 37 HIS : no HD1:sc= -0.163 K(o=-0.16,f=-0.73) 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 68:sc= 0.36 USER MOD Single : B 37 HIS : no HD1:sc= -0.143 K(o=-0.14,f=-0.73) USER MOD Single : C 22 SER OG : rot 180:sc= 0 USER MOD Single : C 23 SER OG : rot 180:sc= 0 USER MOD Single : C 31 SER OG : rot 67:sc= 0.36 USER MOD Single : C 37 HIS : no HD1:sc= -0.148 K(o=-0.15,f=-0.73) 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 68:sc= 0.357 USER MOD Single : D 37 HIS : no HD1:sc= -0.18 K(o=-0.18,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 22 0.577 10.406 18.973 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 1.440 7.867 18.465 1.00 99.99 O ATOM 5 CB SER A 22 2.520 11.009 17.482 1.00 99.99 C ATOM 6 OG SER A 22 3.529 10.774 18.462 1.00 99.99 O ATOM 0 HA SER A 22 0.543 10.363 16.886 1.00 99.99 H new ATOM 0 HB2 SER A 22 2.936 10.828 16.491 1.00 99.99 H new ATOM 0 HB3 SER A 22 2.226 12.058 17.517 1.00 99.99 H new ATOM 0 HG SER A 22 4.296 11.359 18.289 1.00 99.99 H new ATOM 11 N SER A 23 2.078 8.274 16.326 1.00 99.99 N ATOM 12 CA SER A 23 2.557 6.944 16.033 1.00 99.99 C ATOM 13 C SER A 23 3.978 7.118 15.560 1.00 99.99 C ATOM 14 O SER A 23 4.565 8.187 15.727 1.00 99.99 O ATOM 15 CB SER A 23 1.698 6.220 14.968 1.00 99.99 C ATOM 16 OG SER A 23 0.372 6.040 15.445 1.00 99.99 O ATOM 0 H SER A 23 2.138 8.909 15.530 1.00 99.99 H new ATOM 0 HA SER A 23 2.495 6.313 16.919 1.00 99.99 H new ATOM 0 HB2 SER A 23 1.684 6.800 14.046 1.00 99.99 H new ATOM 0 HB3 SER A 23 2.141 5.253 14.730 1.00 99.99 H new ATOM 0 HG SER A 23 -0.162 5.583 14.762 1.00 99.99 H new ATOM 22 N ASP A 24 4.581 6.048 14.980 1.00 99.99 N ATOM 23 CA ASP A 24 5.984 6.014 14.607 1.00 99.99 C ATOM 24 C ASP A 24 6.125 6.575 13.209 1.00 99.99 C ATOM 25 O ASP A 24 5.180 6.449 12.437 1.00 99.99 O ATOM 26 CB ASP A 24 6.555 4.569 14.614 1.00 99.99 C ATOM 27 CG ASP A 24 6.500 3.947 16.013 1.00 99.99 C ATOM 28 OD1 ASP A 24 6.417 4.704 17.019 1.00 99.99 O ATOM 29 OD2 ASP A 24 6.551 2.691 16.092 1.00 99.99 O ATOM 0 H ASP A 24 4.084 5.184 14.764 1.00 99.99 H new ATOM 0 HA ASP A 24 6.540 6.603 15.336 1.00 99.99 H new ATOM 0 HB2 ASP A 24 5.989 3.950 13.918 1.00 99.99 H new ATOM 0 HB3 ASP A 24 7.586 4.583 14.262 1.00 99.99 H new ATOM 34 N PRO A 25 7.228 7.214 12.813 1.00 99.99 N ATOM 35 CA PRO A 25 7.264 8.060 11.629 1.00 99.99 C ATOM 36 C PRO A 25 7.279 7.268 10.340 1.00 99.99 C ATOM 37 O PRO A 25 6.857 7.826 9.339 1.00 99.99 O ATOM 38 CB PRO A 25 8.553 8.885 11.779 1.00 99.99 C ATOM 39 CG PRO A 25 9.436 8.044 12.705 1.00 99.99 C ATOM 40 CD PRO A 25 8.416 7.403 13.642 1.00 99.99 C ATOM 0 HA PRO A 25 6.368 8.678 11.565 1.00 99.99 H new ATOM 0 HB2 PRO A 25 9.033 9.051 10.815 1.00 99.99 H new ATOM 0 HB3 PRO A 25 8.349 9.867 12.207 1.00 99.99 H new ATOM 0 HG2 PRO A 25 10.006 7.296 12.153 1.00 99.99 H new ATOM 0 HG3 PRO A 25 10.156 8.658 13.247 1.00 99.99 H new ATOM 0 HD2 PRO A 25 8.780 6.454 14.036 1.00 99.99 H new ATOM 0 HD3 PRO A 25 8.205 8.044 14.498 1.00 99.99 H new ATOM 48 N LEU A 26 7.763 6.005 10.345 1.00 99.99 N ATOM 49 CA LEU A 26 7.754 5.044 9.250 1.00 99.99 C ATOM 50 C LEU A 26 6.327 4.584 8.994 1.00 99.99 C ATOM 51 O LEU A 26 5.937 4.492 7.857 1.00 99.99 O ATOM 52 CB LEU A 26 8.568 3.779 9.556 1.00 99.99 C ATOM 53 CG LEU A 26 8.433 2.617 8.546 1.00 99.99 C ATOM 54 CD1 LEU A 26 8.968 2.976 7.157 1.00 99.99 C ATOM 55 CD2 LEU A 26 9.130 1.361 9.086 1.00 99.99 C ATOM 0 H LEU A 26 8.199 5.616 11.181 1.00 99.99 H new ATOM 0 HA LEU A 26 8.194 5.555 8.393 1.00 99.99 H new ATOM 0 HB2 LEU A 26 9.620 4.056 9.620 1.00 99.99 H new ATOM 0 HB3 LEU A 26 8.275 3.413 10.540 1.00 99.99 H new ATOM 0 HG LEU A 26 7.368 2.416 8.429 1.00 99.99 H new ATOM 0 HD11 LEU A 26 8.848 2.123 6.489 1.00 99.99 H new ATOM 0 HD12 LEU A 26 8.413 3.827 6.762 1.00 99.99 H new ATOM 0 HD13 LEU A 26 10.025 3.234 7.230 1.00 99.99 H new ATOM 0 HD21 LEU A 26 9.028 0.550 8.365 1.00 99.99 H new ATOM 0 HD22 LEU A 26 10.187 1.572 9.247 1.00 99.99 H new ATOM 0 HD23 LEU A 26 8.671 1.068 10.030 1.00 99.99 H new ATOM 67 N VAL A 27 5.631 4.317 10.012 1.00 99.99 N ATOM 68 CA VAL A 27 4.255 3.842 9.913 1.00 99.99 C ATOM 69 C VAL A 27 3.370 4.966 9.394 1.00 99.99 C ATOM 70 O VAL A 27 2.579 4.729 8.516 1.00 99.99 O ATOM 71 CB VAL A 27 3.670 3.422 11.268 1.00 99.99 C ATOM 72 CG1 VAL A 27 2.182 3.045 11.128 1.00 99.99 C ATOM 73 CG2 VAL A 27 4.456 2.210 11.816 1.00 99.99 C ATOM 0 H VAL A 27 5.971 4.411 10.969 1.00 99.99 H new ATOM 0 HA VAL A 27 4.276 2.979 9.247 1.00 99.99 H new ATOM 0 HB VAL A 27 3.754 4.262 11.957 1.00 99.99 H new ATOM 0 HG11 VAL A 27 1.788 2.751 12.101 1.00 99.99 H new ATOM 0 HG12 VAL A 27 1.623 3.903 10.755 1.00 99.99 H new ATOM 0 HG13 VAL A 27 2.081 2.214 10.429 1.00 99.99 H new ATOM 0 HG21 VAL A 27 4.040 1.912 12.779 1.00 99.99 H new ATOM 0 HG22 VAL A 27 4.379 1.379 11.115 1.00 99.99 H new ATOM 0 HG23 VAL A 27 5.504 2.483 11.942 1.00 99.99 H new ATOM 83 N VAL A 28 3.519 6.098 9.932 1.00 99.99 N ATOM 84 CA VAL A 28 2.721 7.256 9.551 1.00 99.99 C ATOM 85 C VAL A 28 3.118 7.702 8.152 1.00 99.99 C ATOM 86 O VAL A 28 2.255 7.994 7.363 1.00 99.99 O ATOM 87 CB VAL A 28 2.942 8.463 10.471 1.00 99.99 C ATOM 88 CG1 VAL A 28 2.220 9.716 9.935 1.00 99.99 C ATOM 89 CG2 VAL A 28 2.445 8.132 11.892 1.00 99.99 C ATOM 0 H VAL A 28 4.201 6.287 10.666 1.00 99.99 H new ATOM 0 HA VAL A 28 1.679 6.944 9.615 1.00 99.99 H new ATOM 0 HB VAL A 28 4.010 8.679 10.500 1.00 99.99 H new ATOM 0 HG11 VAL A 28 2.396 10.554 10.609 1.00 99.99 H new ATOM 0 HG12 VAL A 28 2.603 9.961 8.944 1.00 99.99 H new ATOM 0 HG13 VAL A 28 1.150 9.520 9.872 1.00 99.99 H new ATOM 0 HG21 VAL A 28 2.604 8.992 12.543 1.00 99.99 H new ATOM 0 HG22 VAL A 28 1.382 7.893 11.859 1.00 99.99 H new ATOM 0 HG23 VAL A 28 2.997 7.276 12.281 1.00 99.99 H new ATOM 99 N ALA A 29 4.354 7.747 7.904 1.00 99.99 N ATOM 100 CA ALA A 29 4.878 8.183 6.613 1.00 99.99 C ATOM 101 C ALA A 29 4.385 7.238 5.527 1.00 99.99 C ATOM 102 O ALA A 29 4.012 7.701 4.477 1.00 99.99 O ATOM 103 CB ALA A 29 6.410 8.153 6.549 1.00 99.99 C ATOM 0 H ALA A 29 5.074 7.486 8.578 1.00 99.99 H new ATOM 0 HA ALA A 29 4.533 9.207 6.472 1.00 99.99 H new ATOM 0 HB1 ALA A 29 6.740 8.488 5.565 1.00 99.99 H new ATOM 0 HB2 ALA A 29 6.819 8.814 7.313 1.00 99.99 H new ATOM 0 HB3 ALA A 29 6.762 7.136 6.723 1.00 99.99 H new ATOM 109 N ALA A 30 4.404 6.006 5.797 1.00 99.99 N ATOM 110 CA ALA A 30 3.983 4.991 4.839 1.00 99.99 C ATOM 111 C ALA A 30 2.509 5.178 4.519 1.00 99.99 C ATOM 112 O ALA A 30 2.122 4.958 3.397 1.00 99.99 O ATOM 113 CB ALA A 30 4.129 3.563 5.382 1.00 99.99 C ATOM 0 H ALA A 30 4.711 5.630 6.694 1.00 99.99 H new ATOM 0 HA ALA A 30 4.623 5.112 3.965 1.00 99.99 H new ATOM 0 HB1 ALA A 30 3.801 2.851 4.625 1.00 99.99 H new ATOM 0 HB2 ALA A 30 5.173 3.373 5.630 1.00 99.99 H new ATOM 0 HB3 ALA A 30 3.517 3.450 6.277 1.00 99.99 H new ATOM 119 N SER A 31 1.770 5.558 5.466 1.00 99.99 N ATOM 120 CA SER A 31 0.333 5.754 5.307 1.00 99.99 C ATOM 121 C SER A 31 0.087 6.838 4.268 1.00 99.99 C ATOM 122 O SER A 31 -0.746 6.654 3.415 1.00 99.99 O ATOM 123 CB SER A 31 -0.353 6.224 6.596 1.00 99.99 C ATOM 124 OG SER A 31 -0.292 5.213 7.600 1.00 99.99 O ATOM 0 H SER A 31 2.115 5.756 6.405 1.00 99.99 H new ATOM 0 HA SER A 31 -0.078 4.787 5.016 1.00 99.99 H new ATOM 0 HB2 SER A 31 0.128 7.132 6.959 1.00 99.99 H new ATOM 0 HB3 SER A 31 -1.393 6.475 6.389 1.00 99.99 H new ATOM 0 HG SER A 31 0.638 5.090 7.884 1.00 99.99 H new ATOM 130 N ILE A 32 0.779 7.888 4.372 1.00 99.99 N ATOM 131 CA ILE A 32 0.628 9.016 3.462 1.00 99.99 C ATOM 132 C ILE A 32 1.021 8.588 2.056 1.00 99.99 C ATOM 133 O ILE A 32 0.401 9.016 1.117 1.00 99.99 O ATOM 134 CB ILE A 32 1.534 10.201 3.823 1.00 99.99 C ATOM 135 CG1 ILE A 32 1.112 10.799 5.184 1.00 99.99 C ATOM 136 CG2 ILE A 32 1.482 11.288 2.730 1.00 99.99 C ATOM 137 CD1 ILE A 32 2.169 11.739 5.780 1.00 99.99 C ATOM 0 H ILE A 32 1.488 8.027 5.092 1.00 99.99 H new ATOM 0 HA ILE A 32 -0.415 9.326 3.533 1.00 99.99 H new ATOM 0 HB ILE A 32 2.559 9.836 3.895 1.00 99.99 H new ATOM 0 HG12 ILE A 32 0.177 11.345 5.060 1.00 99.99 H new ATOM 0 HG13 ILE A 32 0.917 9.988 5.886 1.00 99.99 H new ATOM 0 HG21 ILE A 32 2.132 12.117 3.010 1.00 99.99 H new ATOM 0 HG22 ILE A 32 1.818 10.867 1.782 1.00 99.99 H new ATOM 0 HG23 ILE A 32 0.459 11.649 2.625 1.00 99.99 H new ATOM 0 HD11 ILE A 32 1.814 12.127 6.735 1.00 99.99 H new ATOM 0 HD12 ILE A 32 3.098 11.191 5.934 1.00 99.99 H new ATOM 0 HD13 ILE A 32 2.346 12.568 5.095 1.00 99.99 H new ATOM 149 N ILE A 33 1.999 7.797 1.963 1.00 99.99 N ATOM 150 CA ILE A 33 2.503 7.325 0.678 1.00 99.99 C ATOM 151 C ILE A 33 1.407 6.548 -0.038 1.00 99.99 C ATOM 152 O ILE A 33 1.193 6.775 -1.202 1.00 99.99 O ATOM 153 CB ILE A 33 3.692 6.363 0.817 1.00 99.99 C ATOM 154 CG1 ILE A 33 4.983 7.200 0.998 1.00 99.99 C ATOM 155 CG2 ILE A 33 3.816 5.415 -0.389 1.00 99.99 C ATOM 156 CD1 ILE A 33 6.189 6.411 1.521 1.00 99.99 C ATOM 0 H ILE A 33 2.507 7.431 2.768 1.00 99.99 H new ATOM 0 HA ILE A 33 2.821 8.213 0.131 1.00 99.99 H new ATOM 0 HB ILE A 33 3.531 5.729 1.689 1.00 99.99 H new ATOM 0 HG12 ILE A 33 5.247 7.648 0.040 1.00 99.99 H new ATOM 0 HG13 ILE A 33 4.775 8.019 1.687 1.00 99.99 H new ATOM 0 HG21 ILE A 33 4.671 4.754 -0.246 1.00 99.99 H new ATOM 0 HG22 ILE A 33 2.907 4.820 -0.479 1.00 99.99 H new ATOM 0 HG23 ILE A 33 3.958 5.999 -1.298 1.00 99.99 H new ATOM 0 HD11 ILE A 33 7.046 7.077 1.616 1.00 99.99 H new ATOM 0 HD12 ILE A 33 5.950 5.985 2.496 1.00 99.99 H new ATOM 0 HD13 ILE A 33 6.429 5.609 0.823 1.00 99.99 H new ATOM 168 N GLY A 34 0.779 5.696 0.649 1.00 99.99 N ATOM 169 CA GLY A 34 -0.280 4.865 0.084 1.00 99.99 C ATOM 170 C GLY A 34 -1.452 5.745 -0.314 1.00 99.99 C ATOM 171 O GLY A 34 -2.071 5.479 -1.314 1.00 99.99 O ATOM 0 H GLY A 34 0.960 5.524 1.638 1.00 99.99 H new ATOM 0 HA2 GLY A 34 0.093 4.322 -0.784 1.00 99.99 H new ATOM 0 HA3 GLY A 34 -0.601 4.120 0.812 1.00 99.99 H new ATOM 175 N ILE A 35 -1.407 7.013 0.063 1.00 99.99 N ATOM 176 CA ILE A 35 -2.461 7.890 -0.442 1.00 99.99 C ATOM 177 C ILE A 35 -1.962 8.619 -1.679 1.00 99.99 C ATOM 178 O ILE A 35 -2.674 8.680 -2.648 1.00 99.99 O ATOM 179 CB ILE A 35 -2.868 8.973 0.565 1.00 99.99 C ATOM 180 CG1 ILE A 35 -3.383 8.326 1.875 1.00 99.99 C ATOM 181 CG2 ILE A 35 -3.955 9.879 -0.052 1.00 99.99 C ATOM 182 CD1 ILE A 35 -3.522 9.290 3.058 1.00 99.99 C ATOM 0 H ILE A 35 -0.709 7.439 0.672 1.00 99.99 H new ATOM 0 HA ILE A 35 -3.319 7.250 -0.648 1.00 99.99 H new ATOM 0 HB ILE A 35 -1.995 9.581 0.803 1.00 99.99 H new ATOM 0 HG12 ILE A 35 -4.354 7.870 1.681 1.00 99.99 H new ATOM 0 HG13 ILE A 35 -2.704 7.522 2.158 1.00 99.99 H new ATOM 0 HG21 ILE A 35 -4.240 10.646 0.667 1.00 99.99 H new ATOM 0 HG22 ILE A 35 -3.565 10.353 -0.953 1.00 99.99 H new ATOM 0 HG23 ILE A 35 -4.828 9.278 -0.307 1.00 99.99 H new ATOM 0 HD11 ILE A 35 -3.888 8.747 3.929 1.00 99.99 H new ATOM 0 HD12 ILE A 35 -2.551 9.729 3.286 1.00 99.99 H new ATOM 0 HD13 ILE A 35 -4.226 10.081 2.802 1.00 99.99 H new ATOM 194 N LEU A 36 -0.809 9.125 -1.608 1.00 99.99 N ATOM 195 CA LEU A 36 -0.217 9.877 -2.711 1.00 99.99 C ATOM 196 C LEU A 36 -0.106 8.973 -3.930 1.00 99.99 C ATOM 197 O LEU A 36 -0.398 9.413 -5.013 1.00 99.99 O ATOM 198 CB LEU A 36 1.204 10.366 -2.404 1.00 99.99 C ATOM 199 CG LEU A 36 1.936 11.053 -3.576 1.00 99.99 C ATOM 200 CD1 LEU A 36 1.213 12.337 -4.006 1.00 99.99 C ATOM 201 CD2 LEU A 36 3.399 11.344 -3.216 1.00 99.99 C ATOM 0 H LEU A 36 -0.209 9.049 -0.787 1.00 99.99 H new ATOM 0 HA LEU A 36 -0.864 10.738 -2.879 1.00 99.99 H new ATOM 0 HB2 LEU A 36 1.157 11.064 -1.568 1.00 99.99 H new ATOM 0 HB3 LEU A 36 1.800 9.515 -2.075 1.00 99.99 H new ATOM 0 HG LEU A 36 1.926 10.365 -4.421 1.00 99.99 H new ATOM 0 HD11 LEU A 36 1.752 12.799 -4.833 1.00 99.99 H new ATOM 0 HD12 LEU A 36 0.199 12.095 -4.324 1.00 99.99 H new ATOM 0 HD13 LEU A 36 1.174 13.031 -3.166 1.00 99.99 H new ATOM 0 HD21 LEU A 36 3.892 11.828 -4.059 1.00 99.99 H new ATOM 0 HD22 LEU A 36 3.436 12.002 -2.348 1.00 99.99 H new ATOM 0 HD23 LEU A 36 3.910 10.409 -2.985 1.00 99.99 H new ATOM 213 N HIS A 37 0.338 7.707 -3.758 1.00 99.99 N ATOM 214 CA HIS A 37 0.547 6.754 -4.821 1.00 99.99 C ATOM 215 C HIS A 37 -0.757 6.454 -5.510 1.00 99.99 C ATOM 216 O HIS A 37 -0.778 6.115 -6.691 1.00 99.99 O ATOM 217 CB HIS A 37 1.150 5.432 -4.288 1.00 99.99 C ATOM 218 CG HIS A 37 1.569 4.465 -5.365 1.00 99.99 C ATOM 219 ND1 HIS A 37 1.807 3.141 -5.111 1.00 99.99 N ATOM 220 CD2 HIS A 37 1.835 4.672 -6.676 1.00 99.99 C ATOM 221 CE1 HIS A 37 2.195 2.562 -6.239 1.00 99.99 C ATOM 222 NE2 HIS A 37 2.219 3.470 -7.205 1.00 99.99 N ATOM 0 H HIS A 37 0.562 7.329 -2.837 1.00 99.99 H new ATOM 0 HA HIS A 37 1.250 7.198 -5.526 1.00 99.99 H new ATOM 0 HB2 HIS A 37 2.016 5.665 -3.668 1.00 99.99 H new ATOM 0 HB3 HIS A 37 0.418 4.946 -3.644 1.00 99.99 H new ATOM 0 HD2 HIS A 37 1.758 5.610 -7.205 1.00 99.99 H new ATOM 0 HE1 HIS A 37 2.450 1.519 -6.353 1.00 99.99 H new ATOM 0 HE2 HIS A 37 2.479 3.301 -8.177 1.00 99.99 H new ATOM 230 N LEU A 38 -1.884 6.618 -4.775 1.00 99.99 N ATOM 231 CA LEU A 38 -3.222 6.388 -5.307 1.00 99.99 C ATOM 232 C LEU A 38 -3.581 7.512 -6.268 1.00 99.99 C ATOM 233 O LEU A 38 -4.100 7.239 -7.321 1.00 99.99 O ATOM 234 CB LEU A 38 -4.306 6.386 -4.220 1.00 99.99 C ATOM 235 CG LEU A 38 -5.735 6.168 -4.775 1.00 99.99 C ATOM 236 CD1 LEU A 38 -5.857 4.835 -5.525 1.00 99.99 C ATOM 237 CD2 LEU A 38 -6.799 6.264 -3.681 1.00 99.99 C ATOM 0 H LEU A 38 -1.876 6.914 -3.799 1.00 99.99 H new ATOM 0 HA LEU A 38 -3.195 5.411 -5.789 1.00 99.99 H new ATOM 0 HB2 LEU A 38 -4.082 5.602 -3.496 1.00 99.99 H new ATOM 0 HB3 LEU A 38 -4.274 7.334 -3.684 1.00 99.99 H new ATOM 0 HG LEU A 38 -5.914 6.975 -5.485 1.00 99.99 H new ATOM 0 HD11 LEU A 38 -6.874 4.720 -5.899 1.00 99.99 H new ATOM 0 HD12 LEU A 38 -5.159 4.823 -6.362 1.00 99.99 H new ATOM 0 HD13 LEU A 38 -5.624 4.014 -4.847 1.00 99.99 H new ATOM 0 HD21 LEU A 38 -7.785 6.104 -4.117 1.00 99.99 H new ATOM 0 HD22 LEU A 38 -6.611 5.504 -2.923 1.00 99.99 H new ATOM 0 HD23 LEU A 38 -6.761 7.252 -3.222 1.00 99.99 H new ATOM 249 N ILE A 39 -3.311 8.683 -5.892 1.00 99.99 N ATOM 250 CA ILE A 39 -3.625 9.857 -6.700 1.00 99.99 C ATOM 251 C ILE A 39 -2.809 9.814 -7.983 1.00 99.99 C ATOM 252 O ILE A 39 -3.346 10.081 -9.029 1.00 99.99 O ATOM 253 CB ILE A 39 -3.267 11.177 -6.003 1.00 99.99 C ATOM 254 CG1 ILE A 39 -4.185 11.389 -4.779 1.00 99.99 C ATOM 255 CG2 ILE A 39 -3.400 12.356 -6.990 1.00 99.99 C ATOM 256 CD1 ILE A 39 -3.788 12.590 -3.909 1.00 99.99 C ATOM 0 H ILE A 39 -2.857 8.899 -5.004 1.00 99.99 H new ATOM 0 HA ILE A 39 -4.700 9.827 -6.879 1.00 99.99 H new ATOM 0 HB ILE A 39 -2.233 11.130 -5.662 1.00 99.99 H new ATOM 0 HG12 ILE A 39 -5.210 11.525 -5.124 1.00 99.99 H new ATOM 0 HG13 ILE A 39 -4.172 10.488 -4.166 1.00 99.99 H new ATOM 0 HG21 ILE A 39 -3.143 13.286 -6.483 1.00 99.99 H new ATOM 0 HG22 ILE A 39 -2.725 12.204 -7.832 1.00 99.99 H new ATOM 0 HG23 ILE A 39 -4.426 12.412 -7.353 1.00 99.99 H new ATOM 0 HD11 ILE A 39 -4.478 12.675 -3.069 1.00 99.99 H new ATOM 0 HD12 ILE A 39 -2.775 12.448 -3.533 1.00 99.99 H new ATOM 0 HD13 ILE A 39 -3.829 13.501 -4.506 1.00 99.99 H new ATOM 268 N LEU A 40 -1.593 9.504 -7.869 1.00 99.99 N ATOM 269 CA LEU A 40 -0.688 9.449 -9.011 1.00 99.99 C ATOM 270 C LEU A 40 -1.177 8.394 -9.992 1.00 99.99 C ATOM 271 O LEU A 40 -1.176 8.644 -11.171 1.00 99.99 O ATOM 272 CB LEU A 40 0.742 9.051 -8.625 1.00 99.99 C ATOM 273 CG LEU A 40 1.538 10.112 -7.834 1.00 99.99 C ATOM 274 CD1 LEU A 40 2.904 9.532 -7.418 1.00 99.99 C ATOM 275 CD2 LEU A 40 1.741 11.406 -8.635 1.00 99.99 C ATOM 0 H LEU A 40 -1.153 9.270 -6.979 1.00 99.99 H new ATOM 0 HA LEU A 40 -0.677 10.452 -9.438 1.00 99.99 H new ATOM 0 HB2 LEU A 40 0.698 8.138 -8.031 1.00 99.99 H new ATOM 0 HB3 LEU A 40 1.292 8.813 -9.535 1.00 99.99 H new ATOM 0 HG LEU A 40 0.955 10.367 -6.949 1.00 99.99 H new ATOM 0 HD11 LEU A 40 3.463 10.283 -6.860 1.00 99.99 H new ATOM 0 HD12 LEU A 40 2.751 8.654 -6.791 1.00 99.99 H new ATOM 0 HD13 LEU A 40 3.465 9.249 -8.308 1.00 99.99 H new ATOM 0 HD21 LEU A 40 2.306 12.120 -8.036 1.00 99.99 H new ATOM 0 HD22 LEU A 40 2.291 11.185 -9.550 1.00 99.99 H new ATOM 0 HD23 LEU A 40 0.771 11.833 -8.889 1.00 99.99 H new ATOM 287 N TRP A 41 -1.557 7.296 -9.497 1.00 99.99 N ATOM 288 CA TRP A 41 -2.024 6.188 -10.320 1.00 99.99 C ATOM 289 C TRP A 41 -3.343 6.571 -10.975 1.00 99.99 C ATOM 290 O TRP A 41 -3.519 6.309 -12.138 1.00 99.99 O ATOM 291 CB TRP A 41 -2.294 4.914 -9.509 1.00 99.99 C ATOM 292 CG TRP A 41 -2.680 3.713 -10.354 1.00 99.99 C ATOM 293 CD1 TRP A 41 -1.847 2.923 -11.086 1.00 99.99 C ATOM 294 CD2 TRP A 41 -4.018 3.261 -10.623 1.00 99.99 C ATOM 295 NE1 TRP A 41 -2.561 1.953 -11.730 1.00 99.99 N ATOM 296 CE2 TRP A 41 -3.899 2.164 -11.496 1.00 99.99 C ATOM 297 CE3 TRP A 41 -5.264 3.708 -10.173 1.00 99.99 C ATOM 298 CZ2 TRP A 41 -5.023 1.476 -11.927 1.00 99.99 C ATOM 299 CZ3 TRP A 41 -6.393 3.020 -10.622 1.00 99.99 C ATOM 300 CH2 TRP A 41 -6.282 1.917 -11.487 1.00 99.99 C ATOM 0 H TRP A 41 -1.566 7.102 -8.496 1.00 99.99 H new ATOM 0 HA TRP A 41 -1.234 5.989 -11.045 1.00 99.99 H new ATOM 0 HB2 TRP A 41 -1.403 4.668 -8.932 1.00 99.99 H new ATOM 0 HB3 TRP A 41 -3.092 5.113 -8.794 1.00 99.99 H new ATOM 0 HD1 TRP A 41 -0.776 3.046 -11.148 1.00 99.99 H new ATOM 0 HE1 TRP A 41 -2.167 1.198 -12.291 1.00 99.99 H new ATOM 0 HE3 TRP A 41 -5.350 4.552 -9.505 1.00 99.99 H new ATOM 0 HZ2 TRP A 41 -4.933 0.623 -12.584 1.00 99.99 H new ATOM 0 HZ3 TRP A 41 -7.372 3.342 -10.298 1.00 99.99 H new ATOM 0 HH2 TRP A 41 -7.173 1.404 -11.816 1.00 99.99 H new ATOM 311 N ILE A 42 -4.194 7.140 -10.236 1.00 99.99 N ATOM 312 CA ILE A 42 -5.511 7.537 -10.724 1.00 99.99 C ATOM 313 C ILE A 42 -5.351 8.644 -11.756 1.00 99.99 C ATOM 314 O ILE A 42 -6.026 8.615 -12.754 1.00 99.99 O ATOM 315 CB ILE A 42 -6.412 8.103 -9.621 1.00 99.99 C ATOM 316 CG1 ILE A 42 -6.856 6.970 -8.665 1.00 99.99 C ATOM 317 CG2 ILE A 42 -7.646 8.807 -10.224 1.00 99.99 C ATOM 318 CD1 ILE A 42 -7.686 7.463 -7.470 1.00 99.99 C ATOM 0 H ILE A 42 -4.029 7.363 -9.254 1.00 99.99 H new ATOM 0 HA ILE A 42 -5.969 6.637 -11.134 1.00 99.99 H new ATOM 0 HB ILE A 42 -5.842 8.841 -9.057 1.00 99.99 H new ATOM 0 HG12 ILE A 42 -7.440 6.241 -9.226 1.00 99.99 H new ATOM 0 HG13 ILE A 42 -5.972 6.452 -8.293 1.00 99.99 H new ATOM 0 HG21 ILE A 42 -8.269 9.200 -9.421 1.00 99.99 H new ATOM 0 HG22 ILE A 42 -7.320 9.627 -10.865 1.00 99.99 H new ATOM 0 HG23 ILE A 42 -8.221 8.092 -10.813 1.00 99.99 H new ATOM 0 HD11 ILE A 42 -7.962 6.615 -6.844 1.00 99.99 H new ATOM 0 HD12 ILE A 42 -7.097 8.170 -6.885 1.00 99.99 H new ATOM 0 HD13 ILE A 42 -8.589 7.955 -7.832 1.00 99.99 H new ATOM 330 N LEU A 43 -4.510 9.547 -11.491 1.00 99.99 N ATOM 331 CA LEU A 43 -4.276 10.679 -12.379 1.00 99.99 C ATOM 332 C LEU A 43 -3.677 10.180 -13.686 1.00 99.99 C ATOM 333 O LEU A 43 -3.989 10.720 -14.717 1.00 99.99 O ATOM 334 CB LEU A 43 -3.275 11.690 -11.804 1.00 99.99 C ATOM 335 CG LEU A 43 -3.801 12.485 -10.585 1.00 99.99 C ATOM 336 CD1 LEU A 43 -2.650 13.265 -9.922 1.00 99.99 C ATOM 337 CD2 LEU A 43 -4.935 13.448 -10.971 1.00 99.99 C ATOM 0 H LEU A 43 -3.937 9.555 -10.647 1.00 99.99 H new ATOM 0 HA LEU A 43 -5.242 11.165 -12.515 1.00 99.99 H new ATOM 0 HB2 LEU A 43 -2.368 11.160 -11.513 1.00 99.99 H new ATOM 0 HB3 LEU A 43 -2.996 12.393 -12.589 1.00 99.99 H new ATOM 0 HG LEU A 43 -4.208 11.764 -9.876 1.00 99.99 H new ATOM 0 HD11 LEU A 43 -3.033 13.820 -9.066 1.00 99.99 H new ATOM 0 HD12 LEU A 43 -1.882 12.567 -9.588 1.00 99.99 H new ATOM 0 HD13 LEU A 43 -2.219 13.960 -10.642 1.00 99.99 H new ATOM 0 HD21 LEU A 43 -5.274 13.985 -10.085 1.00 99.99 H new ATOM 0 HD22 LEU A 43 -4.571 14.161 -11.710 1.00 99.99 H new ATOM 0 HD23 LEU A 43 -5.766 12.882 -11.392 1.00 99.99 H new ATOM 349 N ASP A 44 -2.866 9.217 -13.604 1.00 99.99 N ATOM 350 CA ASP A 44 -2.199 8.657 -14.771 1.00 99.99 C ATOM 351 C ASP A 44 -3.231 7.990 -15.670 1.00 99.99 C ATOM 352 O ASP A 44 -3.137 8.119 -16.865 1.00 99.99 O ATOM 353 CB ASP A 44 -1.173 7.572 -14.413 1.00 99.99 C ATOM 354 CG ASP A 44 -0.411 7.051 -15.647 1.00 99.99 C ATOM 355 OD1 ASP A 44 0.364 7.837 -16.243 1.00 99.99 O ATOM 356 OD2 ASP A 44 -0.549 5.840 -15.992 1.00 99.99 O ATOM 0 H ASP A 44 -2.618 8.762 -12.725 1.00 99.99 H new ATOM 0 HA ASP A 44 -1.688 9.488 -15.257 1.00 99.99 H new ATOM 0 HB2 ASP A 44 -0.460 7.974 -13.693 1.00 99.99 H new ATOM 0 HB3 ASP A 44 -1.683 6.740 -13.927 1.00 99.99 H new ATOM 361 N ARG A 45 -4.135 7.326 -15.095 1.00 99.99 N ATOM 362 CA ARG A 45 -5.174 6.617 -15.833 1.00 99.99 C ATOM 363 C ARG A 45 -6.030 7.620 -16.591 1.00 99.99 C ATOM 364 O ARG A 45 -6.342 7.381 -17.730 1.00 99.99 O ATOM 365 CB ARG A 45 -6.130 5.838 -14.920 1.00 99.99 C ATOM 366 CG ARG A 45 -5.453 4.681 -14.155 1.00 99.99 C ATOM 367 CD ARG A 45 -5.171 3.458 -15.038 1.00 99.99 C ATOM 368 NE ARG A 45 -3.767 3.569 -15.576 1.00 99.99 N ATOM 369 CZ ARG A 45 -3.391 2.908 -16.687 1.00 99.99 C ATOM 370 NH1 ARG A 45 -4.241 2.104 -17.350 1.00 99.99 N ATOM 371 NH2 ARG A 45 -2.123 3.043 -17.110 1.00 99.99 N ATOM 0 H ARG A 45 -4.209 7.234 -14.082 1.00 99.99 H new ATOM 0 HA ARG A 45 -4.657 5.920 -16.492 1.00 99.99 H new ATOM 0 HB2 ARG A 45 -6.573 6.527 -14.201 1.00 99.99 H new ATOM 0 HB3 ARG A 45 -6.946 5.436 -15.521 1.00 99.99 H new ATOM 0 HG2 ARG A 45 -4.516 5.036 -13.727 1.00 99.99 H new ATOM 0 HG3 ARG A 45 -6.090 4.382 -13.323 1.00 99.99 H new ATOM 0 HD2 ARG A 45 -5.284 2.540 -14.461 1.00 99.99 H new ATOM 0 HD3 ARG A 45 -5.888 3.409 -15.858 1.00 99.99 H new ATOM 0 HE ARG A 45 -3.089 4.156 -15.089 1.00 99.99 H new ATOM 0 HH11 ARG A 45 -5.196 1.983 -17.014 1.00 99.99 H new ATOM 0 HH12 ARG A 45 -3.930 1.615 -18.189 1.00 99.99 H new ATOM 0 HH21 ARG A 45 -1.473 3.635 -16.592 1.00 99.99 H new ATOM 0 HH22 ARG A 45 -1.810 2.554 -17.949 1.00 99.99 H new ATOM 385 N LEU A 46 -6.370 8.660 -15.963 1.00 99.99 N ATOM 386 CA LEU A 46 -7.209 9.693 -16.559 1.00 99.99 C ATOM 387 C LEU A 46 -6.438 10.389 -17.670 1.00 99.99 C ATOM 388 O LEU A 46 -5.453 11.081 -17.420 1.00 99.99 O ATOM 389 CB LEU A 46 -7.612 10.786 -15.561 1.00 99.99 C ATOM 390 CG LEU A 46 -8.409 10.347 -14.308 1.00 99.99 C ATOM 391 CD1 LEU A 46 -8.490 11.544 -13.340 1.00 99.99 C ATOM 392 CD2 LEU A 46 -9.816 9.833 -14.633 1.00 99.99 C ATOM 0 H LEU A 46 -6.088 8.856 -15.003 1.00 99.99 H new ATOM 0 HA LEU A 46 -8.105 9.188 -16.919 1.00 99.99 H new ATOM 0 HB2 LEU A 46 -6.704 11.287 -15.225 1.00 99.99 H new ATOM 0 HB3 LEU A 46 -8.206 11.528 -16.095 1.00 99.99 H new ATOM 0 HG LEU A 46 -7.882 9.509 -13.853 1.00 99.99 H new ATOM 0 HD11 LEU A 46 -9.048 11.255 -12.450 1.00 99.99 H new ATOM 0 HD12 LEU A 46 -7.484 11.849 -13.054 1.00 99.99 H new ATOM 0 HD13 LEU A 46 -8.995 12.376 -13.831 1.00 99.99 H new ATOM 0 HD21 LEU A 46 -10.319 9.542 -13.711 1.00 99.99 H new ATOM 0 HD22 LEU A 46 -10.387 10.621 -15.125 1.00 99.99 H new ATOM 0 HD23 LEU A 46 -9.744 8.970 -15.295 1.00 99.99 H new ATOM 405 N SER B 22 -10.406 0.577 18.973 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 -7.867 1.440 18.465 1.00 99.99 O ATOM 409 CB SER B 22 -11.009 2.520 17.482 1.00 99.99 C ATOM 410 OG SER B 22 -10.774 3.529 18.462 1.00 99.99 O ATOM 0 HA SER B 22 -10.363 0.543 16.886 1.00 99.99 H new ATOM 0 HB2 SER B 22 -10.828 2.936 16.491 1.00 99.99 H new ATOM 0 HB3 SER B 22 -12.058 2.226 17.517 1.00 99.99 H new ATOM 0 HG SER B 22 -11.359 4.296 18.289 1.00 99.99 H new ATOM 415 N SER B 23 -8.274 2.078 16.326 1.00 99.99 N ATOM 416 CA SER B 23 -6.944 2.557 16.033 1.00 99.99 C ATOM 417 C SER B 23 -7.118 3.978 15.560 1.00 99.99 C ATOM 418 O SER B 23 -8.187 4.565 15.727 1.00 99.99 O ATOM 419 CB SER B 23 -6.220 1.698 14.968 1.00 99.99 C ATOM 420 OG SER B 23 -6.040 0.372 15.445 1.00 99.99 O ATOM 0 H SER B 23 -8.909 2.138 15.530 1.00 99.99 H new ATOM 0 HA SER B 23 -6.313 2.495 16.919 1.00 99.99 H new ATOM 0 HB2 SER B 23 -6.800 1.684 14.046 1.00 99.99 H new ATOM 0 HB3 SER B 23 -5.253 2.141 14.730 1.00 99.99 H new ATOM 0 HG SER B 23 -5.583 -0.162 14.762 1.00 99.99 H new ATOM 426 N ASP B 24 -6.048 4.581 14.980 1.00 99.99 N ATOM 427 CA ASP B 24 -6.014 5.984 14.607 1.00 99.99 C ATOM 428 C ASP B 24 -6.575 6.125 13.209 1.00 99.99 C ATOM 429 O ASP B 24 -6.449 5.180 12.437 1.00 99.99 O ATOM 430 CB ASP B 24 -4.569 6.555 14.614 1.00 99.99 C ATOM 431 CG ASP B 24 -3.947 6.500 16.013 1.00 99.99 C ATOM 432 OD1 ASP B 24 -4.704 6.417 17.019 1.00 99.99 O ATOM 433 OD2 ASP B 24 -2.691 6.551 16.092 1.00 99.99 O ATOM 0 H ASP B 24 -5.184 4.084 14.764 1.00 99.99 H new ATOM 0 HA ASP B 24 -6.603 6.540 15.336 1.00 99.99 H new ATOM 0 HB2 ASP B 24 -3.950 5.989 13.918 1.00 99.99 H new ATOM 0 HB3 ASP B 24 -4.583 7.586 14.262 1.00 99.99 H new ATOM 438 N PRO B 25 -7.214 7.228 12.813 1.00 99.99 N ATOM 439 CA PRO B 25 -8.060 7.264 11.629 1.00 99.99 C ATOM 440 C PRO B 25 -7.268 7.279 10.340 1.00 99.99 C ATOM 441 O PRO B 25 -7.826 6.857 9.339 1.00 99.99 O ATOM 442 CB PRO B 25 -8.885 8.553 11.779 1.00 99.99 C ATOM 443 CG PRO B 25 -8.044 9.436 12.705 1.00 99.99 C ATOM 444 CD PRO B 25 -7.403 8.416 13.642 1.00 99.99 C ATOM 0 HA PRO B 25 -8.678 6.368 11.565 1.00 99.99 H new ATOM 0 HB2 PRO B 25 -9.051 9.033 10.815 1.00 99.99 H new ATOM 0 HB3 PRO B 25 -9.867 8.349 12.207 1.00 99.99 H new ATOM 0 HG2 PRO B 25 -7.296 10.006 12.153 1.00 99.99 H new ATOM 0 HG3 PRO B 25 -8.658 10.156 13.247 1.00 99.99 H new ATOM 0 HD2 PRO B 25 -6.454 8.780 14.036 1.00 99.99 H new ATOM 0 HD3 PRO B 25 -8.044 8.205 14.498 1.00 99.99 H new ATOM 452 N LEU B 26 -6.005 7.763 10.345 1.00 99.99 N ATOM 453 CA LEU B 26 -5.044 7.754 9.250 1.00 99.99 C ATOM 454 C LEU B 26 -4.584 6.327 8.994 1.00 99.99 C ATOM 455 O LEU B 26 -4.492 5.937 7.857 1.00 99.99 O ATOM 456 CB LEU B 26 -3.779 8.568 9.556 1.00 99.99 C ATOM 457 CG LEU B 26 -2.617 8.433 8.546 1.00 99.99 C ATOM 458 CD1 LEU B 26 -2.976 8.968 7.157 1.00 99.99 C ATOM 459 CD2 LEU B 26 -1.361 9.130 9.086 1.00 99.99 C ATOM 0 H LEU B 26 -5.616 8.199 11.181 1.00 99.99 H new ATOM 0 HA LEU B 26 -5.555 8.194 8.393 1.00 99.99 H new ATOM 0 HB2 LEU B 26 -4.056 9.620 9.620 1.00 99.99 H new ATOM 0 HB3 LEU B 26 -3.413 8.275 10.540 1.00 99.99 H new ATOM 0 HG LEU B 26 -2.416 7.368 8.429 1.00 99.99 H new ATOM 0 HD11 LEU B 26 -2.123 8.848 6.489 1.00 99.99 H new ATOM 0 HD12 LEU B 26 -3.827 8.413 6.762 1.00 99.99 H new ATOM 0 HD13 LEU B 26 -3.234 10.025 7.230 1.00 99.99 H new ATOM 0 HD21 LEU B 26 -0.550 9.028 8.365 1.00 99.99 H new ATOM 0 HD22 LEU B 26 -1.572 10.187 9.247 1.00 99.99 H new ATOM 0 HD23 LEU B 26 -1.068 8.671 10.030 1.00 99.99 H new ATOM 471 N VAL B 27 -4.317 5.631 10.012 1.00 99.99 N ATOM 472 CA VAL B 27 -3.842 4.255 9.913 1.00 99.99 C ATOM 473 C VAL B 27 -4.966 3.370 9.394 1.00 99.99 C ATOM 474 O VAL B 27 -4.729 2.579 8.516 1.00 99.99 O ATOM 475 CB VAL B 27 -3.422 3.670 11.268 1.00 99.99 C ATOM 476 CG1 VAL B 27 -3.045 2.182 11.128 1.00 99.99 C ATOM 477 CG2 VAL B 27 -2.210 4.456 11.816 1.00 99.99 C ATOM 0 H VAL B 27 -4.411 5.971 10.969 1.00 99.99 H new ATOM 0 HA VAL B 27 -2.979 4.276 9.247 1.00 99.99 H new ATOM 0 HB VAL B 27 -4.262 3.754 11.957 1.00 99.99 H new ATOM 0 HG11 VAL B 27 -2.751 1.788 12.101 1.00 99.99 H new ATOM 0 HG12 VAL B 27 -3.903 1.623 10.755 1.00 99.99 H new ATOM 0 HG13 VAL B 27 -2.214 2.081 10.429 1.00 99.99 H new ATOM 0 HG21 VAL B 27 -1.912 4.040 12.779 1.00 99.99 H new ATOM 0 HG22 VAL B 27 -1.379 4.379 11.115 1.00 99.99 H new ATOM 0 HG23 VAL B 27 -2.483 5.504 11.942 1.00 99.99 H new ATOM 487 N VAL B 28 -6.098 3.519 9.932 1.00 99.99 N ATOM 488 CA VAL B 28 -7.256 2.721 9.551 1.00 99.99 C ATOM 489 C VAL B 28 -7.702 3.118 8.152 1.00 99.99 C ATOM 490 O VAL B 28 -7.994 2.255 7.363 1.00 99.99 O ATOM 491 CB VAL B 28 -8.463 2.942 10.471 1.00 99.99 C ATOM 492 CG1 VAL B 28 -9.716 2.220 9.935 1.00 99.99 C ATOM 493 CG2 VAL B 28 -8.132 2.445 11.892 1.00 99.99 C ATOM 0 H VAL B 28 -6.287 4.201 10.666 1.00 99.99 H new ATOM 0 HA VAL B 28 -6.944 1.679 9.615 1.00 99.99 H new ATOM 0 HB VAL B 28 -8.679 4.010 10.500 1.00 99.99 H new ATOM 0 HG11 VAL B 28 -10.554 2.396 10.609 1.00 99.99 H new ATOM 0 HG12 VAL B 28 -9.961 2.603 8.944 1.00 99.99 H new ATOM 0 HG13 VAL B 28 -9.520 1.150 9.872 1.00 99.99 H new ATOM 0 HG21 VAL B 28 -8.992 2.604 12.543 1.00 99.99 H new ATOM 0 HG22 VAL B 28 -7.893 1.382 11.859 1.00 99.99 H new ATOM 0 HG23 VAL B 28 -7.276 2.997 12.281 1.00 99.99 H new ATOM 503 N ALA B 29 -7.747 4.354 7.904 1.00 99.99 N ATOM 504 CA ALA B 29 -8.183 4.878 6.613 1.00 99.99 C ATOM 505 C ALA B 29 -7.238 4.385 5.527 1.00 99.99 C ATOM 506 O ALA B 29 -7.701 4.012 4.477 1.00 99.99 O ATOM 507 CB ALA B 29 -8.153 6.410 6.549 1.00 99.99 C ATOM 0 H ALA B 29 -7.486 5.074 8.578 1.00 99.99 H new ATOM 0 HA ALA B 29 -9.207 4.533 6.472 1.00 99.99 H new ATOM 0 HB1 ALA B 29 -8.488 6.740 5.565 1.00 99.99 H new ATOM 0 HB2 ALA B 29 -8.814 6.819 7.313 1.00 99.99 H new ATOM 0 HB3 ALA B 29 -7.136 6.762 6.723 1.00 99.99 H new ATOM 513 N ALA B 30 -6.006 4.404 5.797 1.00 99.99 N ATOM 514 CA ALA B 30 -4.991 3.983 4.839 1.00 99.99 C ATOM 515 C ALA B 30 -5.178 2.509 4.519 1.00 99.99 C ATOM 516 O ALA B 30 -4.958 2.122 3.397 1.00 99.99 O ATOM 517 CB ALA B 30 -3.563 4.129 5.382 1.00 99.99 C ATOM 0 H ALA B 30 -5.630 4.711 6.694 1.00 99.99 H new ATOM 0 HA ALA B 30 -5.112 4.623 3.965 1.00 99.99 H new ATOM 0 HB1 ALA B 30 -2.851 3.801 4.625 1.00 99.99 H new ATOM 0 HB2 ALA B 30 -3.373 5.173 5.630 1.00 99.99 H new ATOM 0 HB3 ALA B 30 -3.450 3.517 6.277 1.00 99.99 H new ATOM 523 N SER B 31 -5.558 1.770 5.466 1.00 99.99 N ATOM 524 CA SER B 31 -5.754 0.333 5.307 1.00 99.99 C ATOM 525 C SER B 31 -6.838 0.087 4.268 1.00 99.99 C ATOM 526 O SER B 31 -6.654 -0.746 3.415 1.00 99.99 O ATOM 527 CB SER B 31 -6.224 -0.353 6.596 1.00 99.99 C ATOM 528 OG SER B 31 -5.213 -0.292 7.600 1.00 99.99 O ATOM 0 H SER B 31 -5.756 2.115 6.405 1.00 99.99 H new ATOM 0 HA SER B 31 -4.787 -0.078 5.016 1.00 99.99 H new ATOM 0 HB2 SER B 31 -7.132 0.128 6.959 1.00 99.99 H new ATOM 0 HB3 SER B 31 -6.475 -1.393 6.389 1.00 99.99 H new ATOM 0 HG SER B 31 -5.090 0.638 7.884 1.00 99.99 H new ATOM 534 N ILE B 32 -7.888 0.779 4.372 1.00 99.99 N ATOM 535 CA ILE B 32 -9.016 0.628 3.462 1.00 99.99 C ATOM 536 C ILE B 32 -8.588 1.021 2.056 1.00 99.99 C ATOM 537 O ILE B 32 -9.016 0.401 1.117 1.00 99.99 O ATOM 538 CB ILE B 32 -10.201 1.534 3.823 1.00 99.99 C ATOM 539 CG1 ILE B 32 -10.799 1.112 5.184 1.00 99.99 C ATOM 540 CG2 ILE B 32 -11.288 1.482 2.730 1.00 99.99 C ATOM 541 CD1 ILE B 32 -11.739 2.169 5.780 1.00 99.99 C ATOM 0 H ILE B 32 -8.027 1.488 5.092 1.00 99.99 H new ATOM 0 HA ILE B 32 -9.326 -0.415 3.533 1.00 99.99 H new ATOM 0 HB ILE B 32 -9.836 2.559 3.895 1.00 99.99 H new ATOM 0 HG12 ILE B 32 -11.345 0.177 5.060 1.00 99.99 H new ATOM 0 HG13 ILE B 32 -9.988 0.917 5.886 1.00 99.99 H new ATOM 0 HG21 ILE B 32 -12.117 2.132 3.010 1.00 99.99 H new ATOM 0 HG22 ILE B 32 -10.867 1.818 1.782 1.00 99.99 H new ATOM 0 HG23 ILE B 32 -11.649 0.459 2.625 1.00 99.99 H new ATOM 0 HD11 ILE B 32 -12.127 1.814 6.735 1.00 99.99 H new ATOM 0 HD12 ILE B 32 -11.191 3.098 5.934 1.00 99.99 H new ATOM 0 HD13 ILE B 32 -12.568 2.346 5.095 1.00 99.99 H new ATOM 553 N ILE B 33 -7.797 1.999 1.963 1.00 99.99 N ATOM 554 CA ILE B 33 -7.325 2.503 0.678 1.00 99.99 C ATOM 555 C ILE B 33 -6.548 1.407 -0.038 1.00 99.99 C ATOM 556 O ILE B 33 -6.775 1.193 -1.202 1.00 99.99 O ATOM 557 CB ILE B 33 -6.363 3.692 0.817 1.00 99.99 C ATOM 558 CG1 ILE B 33 -7.200 4.983 0.998 1.00 99.99 C ATOM 559 CG2 ILE B 33 -5.415 3.816 -0.389 1.00 99.99 C ATOM 560 CD1 ILE B 33 -6.411 6.189 1.521 1.00 99.99 C ATOM 0 H ILE B 33 -7.431 2.507 2.768 1.00 99.99 H new ATOM 0 HA ILE B 33 -8.213 2.821 0.131 1.00 99.99 H new ATOM 0 HB ILE B 33 -5.729 3.531 1.689 1.00 99.99 H new ATOM 0 HG12 ILE B 33 -7.648 5.247 0.040 1.00 99.99 H new ATOM 0 HG13 ILE B 33 -8.019 4.775 1.687 1.00 99.99 H new ATOM 0 HG21 ILE B 33 -4.754 4.671 -0.246 1.00 99.99 H new ATOM 0 HG22 ILE B 33 -4.820 2.907 -0.479 1.00 99.99 H new ATOM 0 HG23 ILE B 33 -5.999 3.958 -1.298 1.00 99.99 H new ATOM 0 HD11 ILE B 33 -7.077 7.046 1.616 1.00 99.99 H new ATOM 0 HD12 ILE B 33 -5.985 5.950 2.496 1.00 99.99 H new ATOM 0 HD13 ILE B 33 -5.609 6.429 0.823 1.00 99.99 H new ATOM 572 N GLY B 34 -5.696 0.779 0.649 1.00 99.99 N ATOM 573 CA GLY B 34 -4.865 -0.280 0.084 1.00 99.99 C ATOM 574 C GLY B 34 -5.745 -1.452 -0.314 1.00 99.99 C ATOM 575 O GLY B 34 -5.479 -2.071 -1.314 1.00 99.99 O ATOM 0 H GLY B 34 -5.524 0.960 1.638 1.00 99.99 H new ATOM 0 HA2 GLY B 34 -4.322 0.093 -0.784 1.00 99.99 H new ATOM 0 HA3 GLY B 34 -4.120 -0.601 0.812 1.00 99.99 H new ATOM 579 N ILE B 35 -7.013 -1.407 0.063 1.00 99.99 N ATOM 580 CA ILE B 35 -7.890 -2.461 -0.442 1.00 99.99 C ATOM 581 C ILE B 35 -8.619 -1.962 -1.679 1.00 99.99 C ATOM 582 O ILE B 35 -8.680 -2.674 -2.648 1.00 99.99 O ATOM 583 CB ILE B 35 -8.973 -2.868 0.565 1.00 99.99 C ATOM 584 CG1 ILE B 35 -8.326 -3.383 1.875 1.00 99.99 C ATOM 585 CG2 ILE B 35 -9.879 -3.955 -0.052 1.00 99.99 C ATOM 586 CD1 ILE B 35 -9.290 -3.522 3.058 1.00 99.99 C ATOM 0 H ILE B 35 -7.439 -0.709 0.672 1.00 99.99 H new ATOM 0 HA ILE B 35 -7.250 -3.319 -0.648 1.00 99.99 H new ATOM 0 HB ILE B 35 -9.581 -1.995 0.803 1.00 99.99 H new ATOM 0 HG12 ILE B 35 -7.870 -4.354 1.681 1.00 99.99 H new ATOM 0 HG13 ILE B 35 -7.522 -2.704 2.158 1.00 99.99 H new ATOM 0 HG21 ILE B 35 -10.646 -4.240 0.667 1.00 99.99 H new ATOM 0 HG22 ILE B 35 -10.353 -3.565 -0.953 1.00 99.99 H new ATOM 0 HG23 ILE B 35 -9.278 -4.828 -0.307 1.00 99.99 H new ATOM 0 HD11 ILE B 35 -8.747 -3.888 3.929 1.00 99.99 H new ATOM 0 HD12 ILE B 35 -9.729 -2.551 3.286 1.00 99.99 H new ATOM 0 HD13 ILE B 35 -10.081 -4.226 2.802 1.00 99.99 H new ATOM 598 N LEU B 36 -9.125 -0.809 -1.608 1.00 99.99 N ATOM 599 CA LEU B 36 -9.877 -0.217 -2.711 1.00 99.99 C ATOM 600 C LEU B 36 -8.973 -0.106 -3.930 1.00 99.99 C ATOM 601 O LEU B 36 -9.413 -0.398 -5.013 1.00 99.99 O ATOM 602 CB LEU B 36 -10.366 1.204 -2.404 1.00 99.99 C ATOM 603 CG LEU B 36 -11.053 1.936 -3.576 1.00 99.99 C ATOM 604 CD1 LEU B 36 -12.337 1.213 -4.006 1.00 99.99 C ATOM 605 CD2 LEU B 36 -11.344 3.399 -3.216 1.00 99.99 C ATOM 0 H LEU B 36 -9.049 -0.209 -0.787 1.00 99.99 H new ATOM 0 HA LEU B 36 -10.738 -0.864 -2.879 1.00 99.99 H new ATOM 0 HB2 LEU B 36 -11.064 1.157 -1.568 1.00 99.99 H new ATOM 0 HB3 LEU B 36 -9.515 1.800 -2.075 1.00 99.99 H new ATOM 0 HG LEU B 36 -10.365 1.926 -4.421 1.00 99.99 H new ATOM 0 HD11 LEU B 36 -12.799 1.752 -4.833 1.00 99.99 H new ATOM 0 HD12 LEU B 36 -12.095 0.199 -4.324 1.00 99.99 H new ATOM 0 HD13 LEU B 36 -13.031 1.174 -3.166 1.00 99.99 H new ATOM 0 HD21 LEU B 36 -11.828 3.892 -4.059 1.00 99.99 H new ATOM 0 HD22 LEU B 36 -12.002 3.436 -2.348 1.00 99.99 H new ATOM 0 HD23 LEU B 36 -10.409 3.910 -2.985 1.00 99.99 H new ATOM 617 N HIS B 37 -7.707 0.338 -3.758 1.00 99.99 N ATOM 618 CA HIS B 37 -6.754 0.547 -4.821 1.00 99.99 C ATOM 619 C HIS B 37 -6.454 -0.757 -5.510 1.00 99.99 C ATOM 620 O HIS B 37 -6.115 -0.778 -6.691 1.00 99.99 O ATOM 621 CB HIS B 37 -5.432 1.150 -4.288 1.00 99.99 C ATOM 622 CG HIS B 37 -4.465 1.569 -5.365 1.00 99.99 C ATOM 623 ND1 HIS B 37 -3.141 1.807 -5.111 1.00 99.99 N ATOM 624 CD2 HIS B 37 -4.672 1.835 -6.676 1.00 99.99 C ATOM 625 CE1 HIS B 37 -2.562 2.195 -6.239 1.00 99.99 C ATOM 626 NE2 HIS B 37 -3.470 2.219 -7.205 1.00 99.99 N ATOM 0 H HIS B 37 -7.329 0.562 -2.837 1.00 99.99 H new ATOM 0 HA HIS B 37 -7.198 1.250 -5.526 1.00 99.99 H new ATOM 0 HB2 HIS B 37 -5.665 2.016 -3.668 1.00 99.99 H new ATOM 0 HB3 HIS B 37 -4.946 0.418 -3.644 1.00 99.99 H new ATOM 0 HD2 HIS B 37 -5.610 1.758 -7.205 1.00 99.99 H new ATOM 0 HE1 HIS B 37 -1.519 2.450 -6.353 1.00 99.99 H new ATOM 0 HE2 HIS B 37 -3.301 2.479 -8.177 1.00 99.99 H new ATOM 634 N LEU B 38 -6.618 -1.884 -4.775 1.00 99.99 N ATOM 635 CA LEU B 38 -6.388 -3.222 -5.307 1.00 99.99 C ATOM 636 C LEU B 38 -7.512 -3.581 -6.268 1.00 99.99 C ATOM 637 O LEU B 38 -7.239 -4.100 -7.321 1.00 99.99 O ATOM 638 CB LEU B 38 -6.386 -4.306 -4.220 1.00 99.99 C ATOM 639 CG LEU B 38 -6.168 -5.735 -4.775 1.00 99.99 C ATOM 640 CD1 LEU B 38 -4.835 -5.857 -5.525 1.00 99.99 C ATOM 641 CD2 LEU B 38 -6.264 -6.799 -3.681 1.00 99.99 C ATOM 0 H LEU B 38 -6.914 -1.876 -3.799 1.00 99.99 H new ATOM 0 HA LEU B 38 -5.411 -3.195 -5.789 1.00 99.99 H new ATOM 0 HB2 LEU B 38 -5.602 -4.082 -3.496 1.00 99.99 H new ATOM 0 HB3 LEU B 38 -7.334 -4.274 -3.684 1.00 99.99 H new ATOM 0 HG LEU B 38 -6.975 -5.914 -5.485 1.00 99.99 H new ATOM 0 HD11 LEU B 38 -4.720 -6.874 -5.899 1.00 99.99 H new ATOM 0 HD12 LEU B 38 -4.823 -5.159 -6.362 1.00 99.99 H new ATOM 0 HD13 LEU B 38 -4.014 -5.624 -4.847 1.00 99.99 H new ATOM 0 HD21 LEU B 38 -6.104 -7.785 -4.117 1.00 99.99 H new ATOM 0 HD22 LEU B 38 -5.504 -6.611 -2.923 1.00 99.99 H new ATOM 0 HD23 LEU B 38 -7.252 -6.761 -3.222 1.00 99.99 H new ATOM 653 N ILE B 39 -8.683 -3.311 -5.892 1.00 99.99 N ATOM 654 CA ILE B 39 -9.857 -3.625 -6.700 1.00 99.99 C ATOM 655 C ILE B 39 -9.814 -2.809 -7.983 1.00 99.99 C ATOM 656 O ILE B 39 -10.081 -3.346 -9.029 1.00 99.99 O ATOM 657 CB ILE B 39 -11.177 -3.267 -6.003 1.00 99.99 C ATOM 658 CG1 ILE B 39 -11.389 -4.185 -4.779 1.00 99.99 C ATOM 659 CG2 ILE B 39 -12.356 -3.400 -6.990 1.00 99.99 C ATOM 660 CD1 ILE B 39 -12.590 -3.788 -3.909 1.00 99.99 C ATOM 0 H ILE B 39 -8.899 -2.857 -5.004 1.00 99.99 H new ATOM 0 HA ILE B 39 -9.827 -4.700 -6.879 1.00 99.99 H new ATOM 0 HB ILE B 39 -11.130 -2.233 -5.662 1.00 99.99 H new ATOM 0 HG12 ILE B 39 -11.525 -5.210 -5.124 1.00 99.99 H new ATOM 0 HG13 ILE B 39 -10.488 -4.172 -4.166 1.00 99.99 H new ATOM 0 HG21 ILE B 39 -13.286 -3.143 -6.483 1.00 99.99 H new ATOM 0 HG22 ILE B 39 -12.204 -2.725 -7.832 1.00 99.99 H new ATOM 0 HG23 ILE B 39 -12.412 -4.426 -7.353 1.00 99.99 H new ATOM 0 HD11 ILE B 39 -12.675 -4.478 -3.069 1.00 99.99 H new ATOM 0 HD12 ILE B 39 -12.448 -2.775 -3.533 1.00 99.99 H new ATOM 0 HD13 ILE B 39 -13.501 -3.829 -4.506 1.00 99.99 H new ATOM 672 N LEU B 40 -9.504 -1.593 -7.869 1.00 99.99 N ATOM 673 CA LEU B 40 -9.449 -0.688 -9.011 1.00 99.99 C ATOM 674 C LEU B 40 -8.394 -1.177 -9.992 1.00 99.99 C ATOM 675 O LEU B 40 -8.644 -1.176 -11.171 1.00 99.99 O ATOM 676 CB LEU B 40 -9.051 0.742 -8.625 1.00 99.99 C ATOM 677 CG LEU B 40 -10.112 1.538 -7.834 1.00 99.99 C ATOM 678 CD1 LEU B 40 -9.532 2.904 -7.418 1.00 99.99 C ATOM 679 CD2 LEU B 40 -11.406 1.741 -8.635 1.00 99.99 C ATOM 0 H LEU B 40 -9.270 -1.153 -6.979 1.00 99.99 H new ATOM 0 HA LEU B 40 -10.452 -0.677 -9.438 1.00 99.99 H new ATOM 0 HB2 LEU B 40 -8.138 0.698 -8.031 1.00 99.99 H new ATOM 0 HB3 LEU B 40 -8.813 1.292 -9.535 1.00 99.99 H new ATOM 0 HG LEU B 40 -10.367 0.955 -6.949 1.00 99.99 H new ATOM 0 HD11 LEU B 40 -10.283 3.463 -6.860 1.00 99.99 H new ATOM 0 HD12 LEU B 40 -8.654 2.751 -6.791 1.00 99.99 H new ATOM 0 HD13 LEU B 40 -9.249 3.465 -8.308 1.00 99.99 H new ATOM 0 HD21 LEU B 40 -12.120 2.306 -8.036 1.00 99.99 H new ATOM 0 HD22 LEU B 40 -11.185 2.291 -9.550 1.00 99.99 H new ATOM 0 HD23 LEU B 40 -11.833 0.771 -8.889 1.00 99.99 H new ATOM 691 N TRP B 41 -7.296 -1.557 -9.497 1.00 99.99 N ATOM 692 CA TRP B 41 -6.188 -2.024 -10.320 1.00 99.99 C ATOM 693 C TRP B 41 -6.571 -3.343 -10.975 1.00 99.99 C ATOM 694 O TRP B 41 -6.309 -3.519 -12.138 1.00 99.99 O ATOM 695 CB TRP B 41 -4.914 -2.294 -9.509 1.00 99.99 C ATOM 696 CG TRP B 41 -3.713 -2.680 -10.354 1.00 99.99 C ATOM 697 CD1 TRP B 41 -2.923 -1.847 -11.086 1.00 99.99 C ATOM 698 CD2 TRP B 41 -3.261 -4.018 -10.623 1.00 99.99 C ATOM 699 NE1 TRP B 41 -1.953 -2.561 -11.730 1.00 99.99 N ATOM 700 CE2 TRP B 41 -2.164 -3.899 -11.496 1.00 99.99 C ATOM 701 CE3 TRP B 41 -3.708 -5.264 -10.173 1.00 99.99 C ATOM 702 CZ2 TRP B 41 -1.476 -5.023 -11.927 1.00 99.99 C ATOM 703 CZ3 TRP B 41 -3.020 -6.393 -10.622 1.00 99.99 C ATOM 704 CH2 TRP B 41 -1.917 -6.282 -11.487 1.00 99.99 C ATOM 0 H TRP B 41 -7.102 -1.566 -8.496 1.00 99.99 H new ATOM 0 HA TRP B 41 -5.989 -1.234 -11.045 1.00 99.99 H new ATOM 0 HB2 TRP B 41 -4.668 -1.403 -8.932 1.00 99.99 H new ATOM 0 HB3 TRP B 41 -5.113 -3.092 -8.794 1.00 99.99 H new ATOM 0 HD1 TRP B 41 -3.046 -0.776 -11.148 1.00 99.99 H new ATOM 0 HE1 TRP B 41 -1.198 -2.167 -12.291 1.00 99.99 H new ATOM 0 HE3 TRP B 41 -4.552 -5.350 -9.505 1.00 99.99 H new ATOM 0 HZ2 TRP B 41 -0.623 -4.933 -12.584 1.00 99.99 H new ATOM 0 HZ3 TRP B 41 -3.342 -7.372 -10.298 1.00 99.99 H new ATOM 0 HH2 TRP B 41 -1.404 -7.173 -11.816 1.00 99.99 H new ATOM 715 N ILE B 42 -7.140 -4.194 -10.236 1.00 99.99 N ATOM 716 CA ILE B 42 -7.537 -5.511 -10.724 1.00 99.99 C ATOM 717 C ILE B 42 -8.644 -5.351 -11.756 1.00 99.99 C ATOM 718 O ILE B 42 -8.615 -6.026 -12.754 1.00 99.99 O ATOM 719 CB ILE B 42 -8.103 -6.412 -9.621 1.00 99.99 C ATOM 720 CG1 ILE B 42 -6.970 -6.856 -8.665 1.00 99.99 C ATOM 721 CG2 ILE B 42 -8.807 -7.646 -10.224 1.00 99.99 C ATOM 722 CD1 ILE B 42 -7.463 -7.686 -7.470 1.00 99.99 C ATOM 0 H ILE B 42 -7.363 -4.029 -9.254 1.00 99.99 H new ATOM 0 HA ILE B 42 -6.637 -5.969 -11.134 1.00 99.99 H new ATOM 0 HB ILE B 42 -8.841 -5.842 -9.057 1.00 99.99 H new ATOM 0 HG12 ILE B 42 -6.241 -7.440 -9.226 1.00 99.99 H new ATOM 0 HG13 ILE B 42 -6.452 -5.972 -8.293 1.00 99.99 H new ATOM 0 HG21 ILE B 42 -9.200 -8.269 -9.421 1.00 99.99 H new ATOM 0 HG22 ILE B 42 -9.627 -7.320 -10.865 1.00 99.99 H new ATOM 0 HG23 ILE B 42 -8.092 -8.221 -10.813 1.00 99.99 H new ATOM 0 HD11 ILE B 42 -6.615 -7.962 -6.844 1.00 99.99 H new ATOM 0 HD12 ILE B 42 -8.170 -7.097 -6.885 1.00 99.99 H new ATOM 0 HD13 ILE B 42 -7.955 -8.589 -7.832 1.00 99.99 H new ATOM 734 N LEU B 43 -9.547 -4.510 -11.491 1.00 99.99 N ATOM 735 CA LEU B 43 -10.679 -4.276 -12.379 1.00 99.99 C ATOM 736 C LEU B 43 -10.180 -3.677 -13.686 1.00 99.99 C ATOM 737 O LEU B 43 -10.720 -3.989 -14.717 1.00 99.99 O ATOM 738 CB LEU B 43 -11.690 -3.275 -11.804 1.00 99.99 C ATOM 739 CG LEU B 43 -12.485 -3.801 -10.585 1.00 99.99 C ATOM 740 CD1 LEU B 43 -13.265 -2.650 -9.922 1.00 99.99 C ATOM 741 CD2 LEU B 43 -13.448 -4.935 -10.971 1.00 99.99 C ATOM 0 H LEU B 43 -9.555 -3.937 -10.647 1.00 99.99 H new ATOM 0 HA LEU B 43 -11.165 -5.242 -12.515 1.00 99.99 H new ATOM 0 HB2 LEU B 43 -11.160 -2.368 -11.513 1.00 99.99 H new ATOM 0 HB3 LEU B 43 -12.393 -2.996 -12.589 1.00 99.99 H new ATOM 0 HG LEU B 43 -11.764 -4.208 -9.876 1.00 99.99 H new ATOM 0 HD11 LEU B 43 -13.820 -3.033 -9.066 1.00 99.99 H new ATOM 0 HD12 LEU B 43 -12.567 -1.882 -9.588 1.00 99.99 H new ATOM 0 HD13 LEU B 43 -13.960 -2.219 -10.642 1.00 99.99 H new ATOM 0 HD21 LEU B 43 -13.985 -5.274 -10.085 1.00 99.99 H new ATOM 0 HD22 LEU B 43 -14.161 -4.571 -11.710 1.00 99.99 H new ATOM 0 HD23 LEU B 43 -12.882 -5.766 -11.392 1.00 99.99 H new ATOM 753 N ASP B 44 -9.217 -2.866 -13.604 1.00 99.99 N ATOM 754 CA ASP B 44 -8.657 -2.199 -14.771 1.00 99.99 C ATOM 755 C ASP B 44 -7.990 -3.231 -15.670 1.00 99.99 C ATOM 756 O ASP B 44 -8.119 -3.137 -16.865 1.00 99.99 O ATOM 757 CB ASP B 44 -7.572 -1.173 -14.413 1.00 99.99 C ATOM 758 CG ASP B 44 -7.051 -0.411 -15.647 1.00 99.99 C ATOM 759 OD1 ASP B 44 -7.837 0.364 -16.243 1.00 99.99 O ATOM 760 OD2 ASP B 44 -5.840 -0.549 -15.992 1.00 99.99 O ATOM 0 H ASP B 44 -8.762 -2.618 -12.725 1.00 99.99 H new ATOM 0 HA ASP B 44 -9.488 -1.688 -15.257 1.00 99.99 H new ATOM 0 HB2 ASP B 44 -7.974 -0.460 -13.693 1.00 99.99 H new ATOM 0 HB3 ASP B 44 -6.740 -1.683 -13.927 1.00 99.99 H new ATOM 765 N ARG B 45 -7.326 -4.135 -15.095 1.00 99.99 N ATOM 766 CA ARG B 45 -6.617 -5.174 -15.833 1.00 99.99 C ATOM 767 C ARG B 45 -7.620 -6.030 -16.591 1.00 99.99 C ATOM 768 O ARG B 45 -7.381 -6.342 -17.730 1.00 99.99 O ATOM 769 CB ARG B 45 -5.838 -6.130 -14.920 1.00 99.99 C ATOM 770 CG ARG B 45 -4.681 -5.453 -14.155 1.00 99.99 C ATOM 771 CD ARG B 45 -3.458 -5.171 -15.038 1.00 99.99 C ATOM 772 NE ARG B 45 -3.569 -3.767 -15.576 1.00 99.99 N ATOM 773 CZ ARG B 45 -2.908 -3.391 -16.687 1.00 99.99 C ATOM 774 NH1 ARG B 45 -2.104 -4.241 -17.350 1.00 99.99 N ATOM 775 NH2 ARG B 45 -3.043 -2.123 -17.110 1.00 99.99 N ATOM 0 H ARG B 45 -7.234 -4.209 -14.082 1.00 99.99 H new ATOM 0 HA ARG B 45 -5.920 -4.657 -16.492 1.00 99.99 H new ATOM 0 HB2 ARG B 45 -6.527 -6.573 -14.201 1.00 99.99 H new ATOM 0 HB3 ARG B 45 -5.436 -6.946 -15.521 1.00 99.99 H new ATOM 0 HG2 ARG B 45 -5.036 -4.516 -13.727 1.00 99.99 H new ATOM 0 HG3 ARG B 45 -4.382 -6.090 -13.323 1.00 99.99 H new ATOM 0 HD2 ARG B 45 -2.540 -5.284 -14.461 1.00 99.99 H new ATOM 0 HD3 ARG B 45 -3.409 -5.888 -15.858 1.00 99.99 H new ATOM 0 HE ARG B 45 -4.156 -3.089 -15.089 1.00 99.99 H new ATOM 0 HH11 ARG B 45 -1.983 -5.196 -17.014 1.00 99.99 H new ATOM 0 HH12 ARG B 45 -1.615 -3.930 -18.189 1.00 99.99 H new ATOM 0 HH21 ARG B 45 -3.635 -1.473 -16.592 1.00 99.99 H new ATOM 0 HH22 ARG B 45 -2.554 -1.810 -17.949 1.00 99.99 H new ATOM 789 N LEU B 46 -8.660 -6.370 -15.963 1.00 99.99 N ATOM 790 CA LEU B 46 -9.693 -7.209 -16.559 1.00 99.99 C ATOM 791 C LEU B 46 -10.389 -6.438 -17.670 1.00 99.99 C ATOM 792 O LEU B 46 -11.081 -5.453 -17.420 1.00 99.99 O ATOM 793 CB LEU B 46 -10.786 -7.612 -15.561 1.00 99.99 C ATOM 794 CG LEU B 46 -10.347 -8.409 -14.308 1.00 99.99 C ATOM 795 CD1 LEU B 46 -11.544 -8.490 -13.340 1.00 99.99 C ATOM 796 CD2 LEU B 46 -9.833 -9.816 -14.633 1.00 99.99 C ATOM 0 H LEU B 46 -8.856 -6.088 -15.003 1.00 99.99 H new ATOM 0 HA LEU B 46 -9.188 -8.105 -16.919 1.00 99.99 H new ATOM 0 HB2 LEU B 46 -11.287 -6.704 -15.225 1.00 99.99 H new ATOM 0 HB3 LEU B 46 -11.528 -8.206 -16.095 1.00 99.99 H new ATOM 0 HG LEU B 46 -9.509 -7.882 -13.853 1.00 99.99 H new ATOM 0 HD11 LEU B 46 -11.255 -9.048 -12.450 1.00 99.99 H new ATOM 0 HD12 LEU B 46 -11.849 -7.484 -13.054 1.00 99.99 H new ATOM 0 HD13 LEU B 46 -12.376 -8.995 -13.831 1.00 99.99 H new ATOM 0 HD21 LEU B 46 -9.542 -10.319 -13.711 1.00 99.99 H new ATOM 0 HD22 LEU B 46 -10.621 -10.387 -15.125 1.00 99.99 H new ATOM 0 HD23 LEU B 46 -8.970 -9.744 -15.295 1.00 99.99 H new ATOM 809 N SER C 22 -0.577 -10.406 18.973 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 -1.440 -7.867 18.465 1.00 99.99 O ATOM 813 CB SER C 22 -2.520 -11.009 17.482 1.00 99.99 C ATOM 814 OG SER C 22 -3.529 -10.774 18.462 1.00 99.99 O ATOM 0 HA SER C 22 -0.543 -10.363 16.886 1.00 99.99 H new ATOM 0 HB2 SER C 22 -2.936 -10.828 16.491 1.00 99.99 H new ATOM 0 HB3 SER C 22 -2.226 -12.058 17.517 1.00 99.99 H new ATOM 0 HG SER C 22 -4.296 -11.359 18.289 1.00 99.99 H new ATOM 819 N SER C 23 -2.078 -8.274 16.326 1.00 99.99 N ATOM 820 CA SER C 23 -2.557 -6.944 16.033 1.00 99.99 C ATOM 821 C SER C 23 -3.978 -7.118 15.560 1.00 99.99 C ATOM 822 O SER C 23 -4.565 -8.187 15.727 1.00 99.99 O ATOM 823 CB SER C 23 -1.698 -6.220 14.968 1.00 99.99 C ATOM 824 OG SER C 23 -0.372 -6.040 15.445 1.00 99.99 O ATOM 0 H SER C 23 -2.138 -8.909 15.530 1.00 99.99 H new ATOM 0 HA SER C 23 -2.495 -6.313 16.919 1.00 99.99 H new ATOM 0 HB2 SER C 23 -1.684 -6.800 14.046 1.00 99.99 H new ATOM 0 HB3 SER C 23 -2.141 -5.253 14.730 1.00 99.99 H new ATOM 0 HG SER C 23 0.162 -5.583 14.762 1.00 99.99 H new ATOM 830 N ASP C 24 -4.581 -6.048 14.980 1.00 99.99 N ATOM 831 CA ASP C 24 -5.984 -6.014 14.607 1.00 99.99 C ATOM 832 C ASP C 24 -6.125 -6.575 13.209 1.00 99.99 C ATOM 833 O ASP C 24 -5.180 -6.449 12.437 1.00 99.99 O ATOM 834 CB ASP C 24 -6.555 -4.569 14.614 1.00 99.99 C ATOM 835 CG ASP C 24 -6.500 -3.947 16.013 1.00 99.99 C ATOM 836 OD1 ASP C 24 -6.417 -4.704 17.019 1.00 99.99 O ATOM 837 OD2 ASP C 24 -6.551 -2.691 16.092 1.00 99.99 O ATOM 0 H ASP C 24 -4.084 -5.184 14.764 1.00 99.99 H new ATOM 0 HA ASP C 24 -6.540 -6.603 15.336 1.00 99.99 H new ATOM 0 HB2 ASP C 24 -5.989 -3.950 13.918 1.00 99.99 H new ATOM 0 HB3 ASP C 24 -7.586 -4.583 14.262 1.00 99.99 H new ATOM 842 N PRO C 25 -7.228 -7.214 12.813 1.00 99.99 N ATOM 843 CA PRO C 25 -7.264 -8.060 11.629 1.00 99.99 C ATOM 844 C PRO C 25 -7.279 -7.268 10.340 1.00 99.99 C ATOM 845 O PRO C 25 -6.857 -7.826 9.339 1.00 99.99 O ATOM 846 CB PRO C 25 -8.553 -8.885 11.779 1.00 99.99 C ATOM 847 CG PRO C 25 -9.436 -8.044 12.705 1.00 99.99 C ATOM 848 CD PRO C 25 -8.416 -7.403 13.642 1.00 99.99 C ATOM 0 HA PRO C 25 -6.368 -8.678 11.565 1.00 99.99 H new ATOM 0 HB2 PRO C 25 -9.033 -9.051 10.815 1.00 99.99 H new ATOM 0 HB3 PRO C 25 -8.349 -9.867 12.207 1.00 99.99 H new ATOM 0 HG2 PRO C 25 -10.006 -7.296 12.153 1.00 99.99 H new ATOM 0 HG3 PRO C 25 -10.156 -8.658 13.247 1.00 99.99 H new ATOM 0 HD2 PRO C 25 -8.780 -6.454 14.036 1.00 99.99 H new ATOM 0 HD3 PRO C 25 -8.205 -8.044 14.498 1.00 99.99 H new ATOM 856 N LEU C 26 -7.763 -6.005 10.345 1.00 99.99 N ATOM 857 CA LEU C 26 -7.754 -5.044 9.250 1.00 99.99 C ATOM 858 C LEU C 26 -6.327 -4.584 8.994 1.00 99.99 C ATOM 859 O LEU C 26 -5.937 -4.492 7.857 1.00 99.99 O ATOM 860 CB LEU C 26 -8.568 -3.779 9.556 1.00 99.99 C ATOM 861 CG LEU C 26 -8.433 -2.617 8.546 1.00 99.99 C ATOM 862 CD1 LEU C 26 -8.968 -2.976 7.157 1.00 99.99 C ATOM 863 CD2 LEU C 26 -9.130 -1.361 9.086 1.00 99.99 C ATOM 0 H LEU C 26 -8.199 -5.616 11.181 1.00 99.99 H new ATOM 0 HA LEU C 26 -8.194 -5.555 8.393 1.00 99.99 H new ATOM 0 HB2 LEU C 26 -9.620 -4.056 9.620 1.00 99.99 H new ATOM 0 HB3 LEU C 26 -8.275 -3.413 10.540 1.00 99.99 H new ATOM 0 HG LEU C 26 -7.368 -2.416 8.429 1.00 99.99 H new ATOM 0 HD11 LEU C 26 -8.848 -2.123 6.489 1.00 99.99 H new ATOM 0 HD12 LEU C 26 -8.413 -3.827 6.762 1.00 99.99 H new ATOM 0 HD13 LEU C 26 -10.025 -3.234 7.230 1.00 99.99 H new ATOM 0 HD21 LEU C 26 -9.028 -0.550 8.365 1.00 99.99 H new ATOM 0 HD22 LEU C 26 -10.187 -1.572 9.247 1.00 99.99 H new ATOM 0 HD23 LEU C 26 -8.671 -1.068 10.030 1.00 99.99 H new ATOM 875 N VAL C 27 -5.631 -4.317 10.012 1.00 99.99 N ATOM 876 CA VAL C 27 -4.255 -3.842 9.913 1.00 99.99 C ATOM 877 C VAL C 27 -3.370 -4.966 9.394 1.00 99.99 C ATOM 878 O VAL C 27 -2.579 -4.729 8.516 1.00 99.99 O ATOM 879 CB VAL C 27 -3.670 -3.422 11.268 1.00 99.99 C ATOM 880 CG1 VAL C 27 -2.182 -3.045 11.128 1.00 99.99 C ATOM 881 CG2 VAL C 27 -4.456 -2.210 11.816 1.00 99.99 C ATOM 0 H VAL C 27 -5.971 -4.411 10.969 1.00 99.99 H new ATOM 0 HA VAL C 27 -4.276 -2.979 9.247 1.00 99.99 H new ATOM 0 HB VAL C 27 -3.754 -4.262 11.957 1.00 99.99 H new ATOM 0 HG11 VAL C 27 -1.788 -2.751 12.101 1.00 99.99 H new ATOM 0 HG12 VAL C 27 -1.623 -3.903 10.755 1.00 99.99 H new ATOM 0 HG13 VAL C 27 -2.081 -2.214 10.429 1.00 99.99 H new ATOM 0 HG21 VAL C 27 -4.040 -1.912 12.779 1.00 99.99 H new ATOM 0 HG22 VAL C 27 -4.379 -1.379 11.115 1.00 99.99 H new ATOM 0 HG23 VAL C 27 -5.504 -2.483 11.942 1.00 99.99 H new ATOM 891 N VAL C 28 -3.519 -6.098 9.932 1.00 99.99 N ATOM 892 CA VAL C 28 -2.721 -7.256 9.551 1.00 99.99 C ATOM 893 C VAL C 28 -3.118 -7.702 8.152 1.00 99.99 C ATOM 894 O VAL C 28 -2.255 -7.994 7.363 1.00 99.99 O ATOM 895 CB VAL C 28 -2.942 -8.463 10.471 1.00 99.99 C ATOM 896 CG1 VAL C 28 -2.220 -9.716 9.935 1.00 99.99 C ATOM 897 CG2 VAL C 28 -2.445 -8.132 11.892 1.00 99.99 C ATOM 0 H VAL C 28 -4.201 -6.287 10.666 1.00 99.99 H new ATOM 0 HA VAL C 28 -1.679 -6.944 9.615 1.00 99.99 H new ATOM 0 HB VAL C 28 -4.010 -8.679 10.500 1.00 99.99 H new ATOM 0 HG11 VAL C 28 -2.396 -10.554 10.609 1.00 99.99 H new ATOM 0 HG12 VAL C 28 -2.603 -9.961 8.944 1.00 99.99 H new ATOM 0 HG13 VAL C 28 -1.150 -9.520 9.872 1.00 99.99 H new ATOM 0 HG21 VAL C 28 -2.604 -8.992 12.543 1.00 99.99 H new ATOM 0 HG22 VAL C 28 -1.382 -7.893 11.859 1.00 99.99 H new ATOM 0 HG23 VAL C 28 -2.997 -7.276 12.281 1.00 99.99 H new ATOM 907 N ALA C 29 -4.354 -7.747 7.904 1.00 99.99 N ATOM 908 CA ALA C 29 -4.878 -8.183 6.613 1.00 99.99 C ATOM 909 C ALA C 29 -4.385 -7.238 5.527 1.00 99.99 C ATOM 910 O ALA C 29 -4.012 -7.701 4.477 1.00 99.99 O ATOM 911 CB ALA C 29 -6.410 -8.153 6.549 1.00 99.99 C ATOM 0 H ALA C 29 -5.074 -7.486 8.578 1.00 99.99 H new ATOM 0 HA ALA C 29 -4.533 -9.207 6.472 1.00 99.99 H new ATOM 0 HB1 ALA C 29 -6.740 -8.488 5.565 1.00 99.99 H new ATOM 0 HB2 ALA C 29 -6.819 -8.814 7.313 1.00 99.99 H new ATOM 0 HB3 ALA C 29 -6.762 -7.136 6.723 1.00 99.99 H new ATOM 917 N ALA C 30 -4.404 -6.006 5.797 1.00 99.99 N ATOM 918 CA ALA C 30 -3.983 -4.991 4.839 1.00 99.99 C ATOM 919 C ALA C 30 -2.509 -5.178 4.519 1.00 99.99 C ATOM 920 O ALA C 30 -2.122 -4.958 3.397 1.00 99.99 O ATOM 921 CB ALA C 30 -4.129 -3.563 5.382 1.00 99.99 C ATOM 0 H ALA C 30 -4.711 -5.630 6.694 1.00 99.99 H new ATOM 0 HA ALA C 30 -4.623 -5.112 3.965 1.00 99.99 H new ATOM 0 HB1 ALA C 30 -3.801 -2.851 4.625 1.00 99.99 H new ATOM 0 HB2 ALA C 30 -5.173 -3.373 5.630 1.00 99.99 H new ATOM 0 HB3 ALA C 30 -3.517 -3.450 6.277 1.00 99.99 H new ATOM 927 N SER C 31 -1.770 -5.558 5.466 1.00 99.99 N ATOM 928 CA SER C 31 -0.333 -5.754 5.307 1.00 99.99 C ATOM 929 C SER C 31 -0.087 -6.838 4.268 1.00 99.99 C ATOM 930 O SER C 31 0.746 -6.654 3.415 1.00 99.99 O ATOM 931 CB SER C 31 0.353 -6.224 6.596 1.00 99.99 C ATOM 932 OG SER C 31 0.292 -5.213 7.600 1.00 99.99 O ATOM 0 H SER C 31 -2.115 -5.756 6.405 1.00 99.99 H new ATOM 0 HA SER C 31 0.078 -4.787 5.016 1.00 99.99 H new ATOM 0 HB2 SER C 31 -0.128 -7.132 6.959 1.00 99.99 H new ATOM 0 HB3 SER C 31 1.393 -6.475 6.389 1.00 99.99 H new ATOM 0 HG SER C 31 -0.640 -5.079 7.873 1.00 99.99 H new ATOM 938 N ILE C 32 -0.779 -7.888 4.372 1.00 99.99 N ATOM 939 CA ILE C 32 -0.628 -9.016 3.462 1.00 99.99 C ATOM 940 C ILE C 32 -1.021 -8.588 2.056 1.00 99.99 C ATOM 941 O ILE C 32 -0.401 -9.016 1.117 1.00 99.99 O ATOM 942 CB ILE C 32 -1.534 -10.201 3.823 1.00 99.99 C ATOM 943 CG1 ILE C 32 -1.112 -10.799 5.184 1.00 99.99 C ATOM 944 CG2 ILE C 32 -1.482 -11.288 2.730 1.00 99.99 C ATOM 945 CD1 ILE C 32 -2.169 -11.739 5.780 1.00 99.99 C ATOM 0 H ILE C 32 -1.488 -8.027 5.092 1.00 99.99 H new ATOM 0 HA ILE C 32 0.415 -9.326 3.533 1.00 99.99 H new ATOM 0 HB ILE C 32 -2.559 -9.836 3.895 1.00 99.99 H new ATOM 0 HG12 ILE C 32 -0.177 -11.345 5.060 1.00 99.99 H new ATOM 0 HG13 ILE C 32 -0.917 -9.988 5.886 1.00 99.99 H new ATOM 0 HG21 ILE C 32 -2.132 -12.117 3.010 1.00 99.99 H new ATOM 0 HG22 ILE C 32 -1.818 -10.867 1.782 1.00 99.99 H new ATOM 0 HG23 ILE C 32 -0.459 -11.649 2.625 1.00 99.99 H new ATOM 0 HD11 ILE C 32 -1.814 -12.127 6.735 1.00 99.99 H new ATOM 0 HD12 ILE C 32 -3.098 -11.191 5.934 1.00 99.99 H new ATOM 0 HD13 ILE C 32 -2.346 -12.568 5.095 1.00 99.99 H new ATOM 957 N ILE C 33 -1.999 -7.797 1.963 1.00 99.99 N ATOM 958 CA ILE C 33 -2.503 -7.325 0.678 1.00 99.99 C ATOM 959 C ILE C 33 -1.407 -6.548 -0.038 1.00 99.99 C ATOM 960 O ILE C 33 -1.193 -6.775 -1.202 1.00 99.99 O ATOM 961 CB ILE C 33 -3.692 -6.363 0.817 1.00 99.99 C ATOM 962 CG1 ILE C 33 -4.983 -7.200 0.998 1.00 99.99 C ATOM 963 CG2 ILE C 33 -3.816 -5.415 -0.389 1.00 99.99 C ATOM 964 CD1 ILE C 33 -6.189 -6.411 1.521 1.00 99.99 C ATOM 0 H ILE C 33 -2.507 -7.431 2.768 1.00 99.99 H new ATOM 0 HA ILE C 33 -2.821 -8.213 0.131 1.00 99.99 H new ATOM 0 HB ILE C 33 -3.531 -5.729 1.689 1.00 99.99 H new ATOM 0 HG12 ILE C 33 -5.247 -7.648 0.040 1.00 99.99 H new ATOM 0 HG13 ILE C 33 -4.775 -8.019 1.687 1.00 99.99 H new ATOM 0 HG21 ILE C 33 -4.671 -4.754 -0.246 1.00 99.99 H new ATOM 0 HG22 ILE C 33 -2.907 -4.820 -0.479 1.00 99.99 H new ATOM 0 HG23 ILE C 33 -3.958 -5.999 -1.298 1.00 99.99 H new ATOM 0 HD11 ILE C 33 -7.046 -7.077 1.616 1.00 99.99 H new ATOM 0 HD12 ILE C 33 -5.950 -5.985 2.496 1.00 99.99 H new ATOM 0 HD13 ILE C 33 -6.429 -5.609 0.823 1.00 99.99 H new ATOM 976 N GLY C 34 -0.779 -5.696 0.649 1.00 99.99 N ATOM 977 CA GLY C 34 0.280 -4.865 0.084 1.00 99.99 C ATOM 978 C GLY C 34 1.452 -5.745 -0.314 1.00 99.99 C ATOM 979 O GLY C 34 2.071 -5.479 -1.314 1.00 99.99 O ATOM 0 H GLY C 34 -0.960 -5.524 1.638 1.00 99.99 H new ATOM 0 HA2 GLY C 34 -0.093 -4.322 -0.784 1.00 99.99 H new ATOM 0 HA3 GLY C 34 0.601 -4.120 0.812 1.00 99.99 H new ATOM 983 N ILE C 35 1.407 -7.013 0.063 1.00 99.99 N ATOM 984 CA ILE C 35 2.461 -7.890 -0.442 1.00 99.99 C ATOM 985 C ILE C 35 1.962 -8.619 -1.679 1.00 99.99 C ATOM 986 O ILE C 35 2.674 -8.680 -2.648 1.00 99.99 O ATOM 987 CB ILE C 35 2.868 -8.973 0.565 1.00 99.99 C ATOM 988 CG1 ILE C 35 3.383 -8.326 1.875 1.00 99.99 C ATOM 989 CG2 ILE C 35 3.955 -9.879 -0.052 1.00 99.99 C ATOM 990 CD1 ILE C 35 3.522 -9.290 3.058 1.00 99.99 C ATOM 0 H ILE C 35 0.709 -7.439 0.672 1.00 99.99 H new ATOM 0 HA ILE C 35 3.319 -7.250 -0.648 1.00 99.99 H new ATOM 0 HB ILE C 35 1.995 -9.581 0.803 1.00 99.99 H new ATOM 0 HG12 ILE C 35 4.354 -7.870 1.681 1.00 99.99 H new ATOM 0 HG13 ILE C 35 2.704 -7.522 2.158 1.00 99.99 H new ATOM 0 HG21 ILE C 35 4.240 -10.646 0.667 1.00 99.99 H new ATOM 0 HG22 ILE C 35 3.565 -10.353 -0.953 1.00 99.99 H new ATOM 0 HG23 ILE C 35 4.828 -9.278 -0.307 1.00 99.99 H new ATOM 0 HD11 ILE C 35 3.888 -8.747 3.929 1.00 99.99 H new ATOM 0 HD12 ILE C 35 2.551 -9.729 3.286 1.00 99.99 H new ATOM 0 HD13 ILE C 35 4.226 -10.081 2.802 1.00 99.99 H new ATOM 1002 N LEU C 36 0.809 -9.125 -1.608 1.00 99.99 N ATOM 1003 CA LEU C 36 0.217 -9.877 -2.711 1.00 99.99 C ATOM 1004 C LEU C 36 0.106 -8.973 -3.930 1.00 99.99 C ATOM 1005 O LEU C 36 0.398 -9.413 -5.013 1.00 99.99 O ATOM 1006 CB LEU C 36 -1.204 -10.366 -2.404 1.00 99.99 C ATOM 1007 CG LEU C 36 -1.936 -11.053 -3.576 1.00 99.99 C ATOM 1008 CD1 LEU C 36 -1.213 -12.337 -4.006 1.00 99.99 C ATOM 1009 CD2 LEU C 36 -3.399 -11.344 -3.216 1.00 99.99 C ATOM 0 H LEU C 36 0.209 -9.049 -0.787 1.00 99.99 H new ATOM 0 HA LEU C 36 0.864 -10.738 -2.879 1.00 99.99 H new ATOM 0 HB2 LEU C 36 -1.157 -11.064 -1.568 1.00 99.99 H new ATOM 0 HB3 LEU C 36 -1.800 -9.515 -2.075 1.00 99.99 H new ATOM 0 HG LEU C 36 -1.926 -10.365 -4.421 1.00 99.99 H new ATOM 0 HD11 LEU C 36 -1.752 -12.799 -4.833 1.00 99.99 H new ATOM 0 HD12 LEU C 36 -0.199 -12.095 -4.324 1.00 99.99 H new ATOM 0 HD13 LEU C 36 -1.174 -13.031 -3.166 1.00 99.99 H new ATOM 0 HD21 LEU C 36 -3.892 -11.828 -4.059 1.00 99.99 H new ATOM 0 HD22 LEU C 36 -3.436 -12.002 -2.348 1.00 99.99 H new ATOM 0 HD23 LEU C 36 -3.910 -10.409 -2.985 1.00 99.99 H new ATOM 1021 N HIS C 37 -0.338 -7.707 -3.758 1.00 99.99 N ATOM 1022 CA HIS C 37 -0.547 -6.754 -4.821 1.00 99.99 C ATOM 1023 C HIS C 37 0.757 -6.454 -5.510 1.00 99.99 C ATOM 1024 O HIS C 37 0.778 -6.115 -6.691 1.00 99.99 O ATOM 1025 CB HIS C 37 -1.150 -5.432 -4.288 1.00 99.99 C ATOM 1026 CG HIS C 37 -1.569 -4.465 -5.365 1.00 99.99 C ATOM 1027 ND1 HIS C 37 -1.807 -3.141 -5.111 1.00 99.99 N ATOM 1028 CD2 HIS C 37 -1.835 -4.672 -6.676 1.00 99.99 C ATOM 1029 CE1 HIS C 37 -2.195 -2.562 -6.239 1.00 99.99 C ATOM 1030 NE2 HIS C 37 -2.219 -3.470 -7.205 1.00 99.99 N ATOM 0 H HIS C 37 -0.562 -7.329 -2.837 1.00 99.99 H new ATOM 0 HA HIS C 37 -1.250 -7.198 -5.526 1.00 99.99 H new ATOM 0 HB2 HIS C 37 -2.016 -5.665 -3.668 1.00 99.99 H new ATOM 0 HB3 HIS C 37 -0.418 -4.946 -3.644 1.00 99.99 H new ATOM 0 HD2 HIS C 37 -1.758 -5.610 -7.205 1.00 99.99 H new ATOM 0 HE1 HIS C 37 -2.450 -1.519 -6.353 1.00 99.99 H new ATOM 0 HE2 HIS C 37 -2.479 -3.301 -8.177 1.00 99.99 H new ATOM 1038 N LEU C 38 1.884 -6.618 -4.775 1.00 99.99 N ATOM 1039 CA LEU C 38 3.222 -6.388 -5.307 1.00 99.99 C ATOM 1040 C LEU C 38 3.581 -7.512 -6.268 1.00 99.99 C ATOM 1041 O LEU C 38 4.100 -7.239 -7.321 1.00 99.99 O ATOM 1042 CB LEU C 38 4.306 -6.386 -4.220 1.00 99.99 C ATOM 1043 CG LEU C 38 5.735 -6.168 -4.775 1.00 99.99 C ATOM 1044 CD1 LEU C 38 5.857 -4.835 -5.525 1.00 99.99 C ATOM 1045 CD2 LEU C 38 6.799 -6.264 -3.681 1.00 99.99 C ATOM 0 H LEU C 38 1.876 -6.914 -3.799 1.00 99.99 H new ATOM 0 HA LEU C 38 3.195 -5.411 -5.789 1.00 99.99 H new ATOM 0 HB2 LEU C 38 4.082 -5.602 -3.496 1.00 99.99 H new ATOM 0 HB3 LEU C 38 4.274 -7.334 -3.684 1.00 99.99 H new ATOM 0 HG LEU C 38 5.914 -6.975 -5.485 1.00 99.99 H new ATOM 0 HD11 LEU C 38 6.874 -4.720 -5.899 1.00 99.99 H new ATOM 0 HD12 LEU C 38 5.159 -4.823 -6.362 1.00 99.99 H new ATOM 0 HD13 LEU C 38 5.624 -4.014 -4.847 1.00 99.99 H new ATOM 0 HD21 LEU C 38 7.785 -6.104 -4.117 1.00 99.99 H new ATOM 0 HD22 LEU C 38 6.611 -5.504 -2.923 1.00 99.99 H new ATOM 0 HD23 LEU C 38 6.761 -7.252 -3.222 1.00 99.99 H new ATOM 1057 N ILE C 39 3.311 -8.683 -5.892 1.00 99.99 N ATOM 1058 CA ILE C 39 3.625 -9.857 -6.700 1.00 99.99 C ATOM 1059 C ILE C 39 2.809 -9.814 -7.983 1.00 99.99 C ATOM 1060 O ILE C 39 3.346 -10.081 -9.029 1.00 99.99 O ATOM 1061 CB ILE C 39 3.267 -11.177 -6.003 1.00 99.99 C ATOM 1062 CG1 ILE C 39 4.185 -11.389 -4.779 1.00 99.99 C ATOM 1063 CG2 ILE C 39 3.400 -12.356 -6.990 1.00 99.99 C ATOM 1064 CD1 ILE C 39 3.788 -12.590 -3.909 1.00 99.99 C ATOM 0 H ILE C 39 2.857 -8.899 -5.004 1.00 99.99 H new ATOM 0 HA ILE C 39 4.700 -9.827 -6.879 1.00 99.99 H new ATOM 0 HB ILE C 39 2.233 -11.130 -5.662 1.00 99.99 H new ATOM 0 HG12 ILE C 39 5.210 -11.525 -5.124 1.00 99.99 H new ATOM 0 HG13 ILE C 39 4.172 -10.488 -4.166 1.00 99.99 H new ATOM 0 HG21 ILE C 39 3.143 -13.286 -6.483 1.00 99.99 H new ATOM 0 HG22 ILE C 39 2.725 -12.204 -7.832 1.00 99.99 H new ATOM 0 HG23 ILE C 39 4.426 -12.412 -7.353 1.00 99.99 H new ATOM 0 HD11 ILE C 39 4.478 -12.675 -3.069 1.00 99.99 H new ATOM 0 HD12 ILE C 39 2.775 -12.448 -3.533 1.00 99.99 H new ATOM 0 HD13 ILE C 39 3.829 -13.501 -4.506 1.00 99.99 H new ATOM 1076 N LEU C 40 1.593 -9.504 -7.869 1.00 99.99 N ATOM 1077 CA LEU C 40 0.688 -9.449 -9.011 1.00 99.99 C ATOM 1078 C LEU C 40 1.177 -8.394 -9.992 1.00 99.99 C ATOM 1079 O LEU C 40 1.176 -8.644 -11.171 1.00 99.99 O ATOM 1080 CB LEU C 40 -0.742 -9.051 -8.625 1.00 99.99 C ATOM 1081 CG LEU C 40 -1.538 -10.112 -7.834 1.00 99.99 C ATOM 1082 CD1 LEU C 40 -2.904 -9.532 -7.418 1.00 99.99 C ATOM 1083 CD2 LEU C 40 -1.741 -11.406 -8.635 1.00 99.99 C ATOM 0 H LEU C 40 1.153 -9.270 -6.979 1.00 99.99 H new ATOM 0 HA LEU C 40 0.677 -10.452 -9.438 1.00 99.99 H new ATOM 0 HB2 LEU C 40 -0.698 -8.138 -8.031 1.00 99.99 H new ATOM 0 HB3 LEU C 40 -1.292 -8.813 -9.535 1.00 99.99 H new ATOM 0 HG LEU C 40 -0.955 -10.367 -6.949 1.00 99.99 H new ATOM 0 HD11 LEU C 40 -3.463 -10.283 -6.860 1.00 99.99 H new ATOM 0 HD12 LEU C 40 -2.751 -8.654 -6.791 1.00 99.99 H new ATOM 0 HD13 LEU C 40 -3.465 -9.249 -8.308 1.00 99.99 H new ATOM 0 HD21 LEU C 40 -2.306 -12.120 -8.036 1.00 99.99 H new ATOM 0 HD22 LEU C 40 -2.291 -11.185 -9.550 1.00 99.99 H new ATOM 0 HD23 LEU C 40 -0.771 -11.833 -8.889 1.00 99.99 H new ATOM 1095 N TRP C 41 1.557 -7.296 -9.497 1.00 99.99 N ATOM 1096 CA TRP C 41 2.024 -6.188 -10.320 1.00 99.99 C ATOM 1097 C TRP C 41 3.343 -6.571 -10.975 1.00 99.99 C ATOM 1098 O TRP C 41 3.519 -6.309 -12.138 1.00 99.99 O ATOM 1099 CB TRP C 41 2.294 -4.914 -9.509 1.00 99.99 C ATOM 1100 CG TRP C 41 2.680 -3.713 -10.354 1.00 99.99 C ATOM 1101 CD1 TRP C 41 1.847 -2.923 -11.086 1.00 99.99 C ATOM 1102 CD2 TRP C 41 4.018 -3.261 -10.623 1.00 99.99 C ATOM 1103 NE1 TRP C 41 2.561 -1.953 -11.730 1.00 99.99 N ATOM 1104 CE2 TRP C 41 3.899 -2.164 -11.496 1.00 99.99 C ATOM 1105 CE3 TRP C 41 5.264 -3.708 -10.173 1.00 99.99 C ATOM 1106 CZ2 TRP C 41 5.023 -1.476 -11.927 1.00 99.99 C ATOM 1107 CZ3 TRP C 41 6.393 -3.020 -10.622 1.00 99.99 C ATOM 1108 CH2 TRP C 41 6.282 -1.917 -11.487 1.00 99.99 C ATOM 0 H TRP C 41 1.566 -7.102 -8.496 1.00 99.99 H new ATOM 0 HA TRP C 41 1.234 -5.989 -11.045 1.00 99.99 H new ATOM 0 HB2 TRP C 41 1.403 -4.668 -8.932 1.00 99.99 H new ATOM 0 HB3 TRP C 41 3.092 -5.113 -8.794 1.00 99.99 H new ATOM 0 HD1 TRP C 41 0.776 -3.046 -11.148 1.00 99.99 H new ATOM 0 HE1 TRP C 41 2.167 -1.198 -12.291 1.00 99.99 H new ATOM 0 HE3 TRP C 41 5.350 -4.552 -9.505 1.00 99.99 H new ATOM 0 HZ2 TRP C 41 4.933 -0.623 -12.584 1.00 99.99 H new ATOM 0 HZ3 TRP C 41 7.372 -3.342 -10.298 1.00 99.99 H new ATOM 0 HH2 TRP C 41 7.173 -1.404 -11.816 1.00 99.99 H new ATOM 1119 N ILE C 42 4.194 -7.140 -10.236 1.00 99.99 N ATOM 1120 CA ILE C 42 5.511 -7.537 -10.724 1.00 99.99 C ATOM 1121 C ILE C 42 5.351 -8.644 -11.756 1.00 99.99 C ATOM 1122 O ILE C 42 6.026 -8.615 -12.754 1.00 99.99 O ATOM 1123 CB ILE C 42 6.412 -8.103 -9.621 1.00 99.99 C ATOM 1124 CG1 ILE C 42 6.856 -6.970 -8.665 1.00 99.99 C ATOM 1125 CG2 ILE C 42 7.646 -8.807 -10.224 1.00 99.99 C ATOM 1126 CD1 ILE C 42 7.686 -7.463 -7.470 1.00 99.99 C ATOM 0 H ILE C 42 4.029 -7.363 -9.254 1.00 99.99 H new ATOM 0 HA ILE C 42 5.969 -6.637 -11.134 1.00 99.99 H new ATOM 0 HB ILE C 42 5.842 -8.841 -9.057 1.00 99.99 H new ATOM 0 HG12 ILE C 42 7.440 -6.241 -9.226 1.00 99.99 H new ATOM 0 HG13 ILE C 42 5.972 -6.452 -8.293 1.00 99.99 H new ATOM 0 HG21 ILE C 42 8.269 -9.200 -9.421 1.00 99.99 H new ATOM 0 HG22 ILE C 42 7.320 -9.627 -10.865 1.00 99.99 H new ATOM 0 HG23 ILE C 42 8.221 -8.092 -10.813 1.00 99.99 H new ATOM 0 HD11 ILE C 42 7.962 -6.615 -6.844 1.00 99.99 H new ATOM 0 HD12 ILE C 42 7.097 -8.170 -6.885 1.00 99.99 H new ATOM 0 HD13 ILE C 42 8.589 -7.955 -7.832 1.00 99.99 H new ATOM 1138 N LEU C 43 4.510 -9.547 -11.491 1.00 99.99 N ATOM 1139 CA LEU C 43 4.276 -10.679 -12.379 1.00 99.99 C ATOM 1140 C LEU C 43 3.677 -10.180 -13.686 1.00 99.99 C ATOM 1141 O LEU C 43 3.989 -10.720 -14.717 1.00 99.99 O ATOM 1142 CB LEU C 43 3.275 -11.690 -11.804 1.00 99.99 C ATOM 1143 CG LEU C 43 3.801 -12.485 -10.585 1.00 99.99 C ATOM 1144 CD1 LEU C 43 2.650 -13.265 -9.922 1.00 99.99 C ATOM 1145 CD2 LEU C 43 4.935 -13.448 -10.971 1.00 99.99 C ATOM 0 H LEU C 43 3.937 -9.555 -10.647 1.00 99.99 H new ATOM 0 HA LEU C 43 5.242 -11.165 -12.515 1.00 99.99 H new ATOM 0 HB2 LEU C 43 2.368 -11.160 -11.513 1.00 99.99 H new ATOM 0 HB3 LEU C 43 2.996 -12.393 -12.589 1.00 99.99 H new ATOM 0 HG LEU C 43 4.208 -11.764 -9.876 1.00 99.99 H new ATOM 0 HD11 LEU C 43 3.033 -13.820 -9.066 1.00 99.99 H new ATOM 0 HD12 LEU C 43 1.882 -12.567 -9.588 1.00 99.99 H new ATOM 0 HD13 LEU C 43 2.219 -13.960 -10.642 1.00 99.99 H new ATOM 0 HD21 LEU C 43 5.274 -13.985 -10.085 1.00 99.99 H new ATOM 0 HD22 LEU C 43 4.571 -14.161 -11.710 1.00 99.99 H new ATOM 0 HD23 LEU C 43 5.766 -12.882 -11.392 1.00 99.99 H new ATOM 1157 N ASP C 44 2.866 -9.217 -13.604 1.00 99.99 N ATOM 1158 CA ASP C 44 2.199 -8.657 -14.771 1.00 99.99 C ATOM 1159 C ASP C 44 3.231 -7.990 -15.670 1.00 99.99 C ATOM 1160 O ASP C 44 3.137 -8.119 -16.865 1.00 99.99 O ATOM 1161 CB ASP C 44 1.173 -7.572 -14.413 1.00 99.99 C ATOM 1162 CG ASP C 44 0.411 -7.051 -15.647 1.00 99.99 C ATOM 1163 OD1 ASP C 44 -0.364 -7.837 -16.243 1.00 99.99 O ATOM 1164 OD2 ASP C 44 0.549 -5.840 -15.992 1.00 99.99 O ATOM 0 H ASP C 44 2.618 -8.762 -12.725 1.00 99.99 H new ATOM 0 HA ASP C 44 1.688 -9.488 -15.257 1.00 99.99 H new ATOM 0 HB2 ASP C 44 0.460 -7.974 -13.693 1.00 99.99 H new ATOM 0 HB3 ASP C 44 1.683 -6.740 -13.927 1.00 99.99 H new ATOM 1169 N ARG C 45 4.135 -7.326 -15.095 1.00 99.99 N ATOM 1170 CA ARG C 45 5.174 -6.617 -15.833 1.00 99.99 C ATOM 1171 C ARG C 45 6.030 -7.620 -16.591 1.00 99.99 C ATOM 1172 O ARG C 45 6.342 -7.381 -17.730 1.00 99.99 O ATOM 1173 CB ARG C 45 6.130 -5.838 -14.920 1.00 99.99 C ATOM 1174 CG ARG C 45 5.453 -4.681 -14.155 1.00 99.99 C ATOM 1175 CD ARG C 45 5.171 -3.458 -15.038 1.00 99.99 C ATOM 1176 NE ARG C 45 3.767 -3.569 -15.576 1.00 99.99 N ATOM 1177 CZ ARG C 45 3.391 -2.908 -16.687 1.00 99.99 C ATOM 1178 NH1 ARG C 45 4.241 -2.104 -17.350 1.00 99.99 N ATOM 1179 NH2 ARG C 45 2.123 -3.043 -17.110 1.00 99.99 N ATOM 0 H ARG C 45 4.209 -7.234 -14.082 1.00 99.99 H new ATOM 0 HA ARG C 45 4.657 -5.920 -16.492 1.00 99.99 H new ATOM 0 HB2 ARG C 45 6.573 -6.527 -14.201 1.00 99.99 H new ATOM 0 HB3 ARG C 45 6.946 -5.436 -15.521 1.00 99.99 H new ATOM 0 HG2 ARG C 45 4.516 -5.036 -13.727 1.00 99.99 H new ATOM 0 HG3 ARG C 45 6.090 -4.382 -13.323 1.00 99.99 H new ATOM 0 HD2 ARG C 45 5.284 -2.540 -14.461 1.00 99.99 H new ATOM 0 HD3 ARG C 45 5.888 -3.409 -15.858 1.00 99.99 H new ATOM 0 HE ARG C 45 3.089 -4.156 -15.089 1.00 99.99 H new ATOM 0 HH11 ARG C 45 5.196 -1.983 -17.014 1.00 99.99 H new ATOM 0 HH12 ARG C 45 3.930 -1.615 -18.189 1.00 99.99 H new ATOM 0 HH21 ARG C 45 1.473 -3.635 -16.592 1.00 99.99 H new ATOM 0 HH22 ARG C 45 1.810 -2.554 -17.949 1.00 99.99 H new ATOM 1193 N LEU C 46 6.370 -8.660 -15.963 1.00 99.99 N ATOM 1194 CA LEU C 46 7.209 -9.693 -16.559 1.00 99.99 C ATOM 1195 C LEU C 46 6.438 -10.389 -17.670 1.00 99.99 C ATOM 1196 O LEU C 46 5.453 -11.081 -17.420 1.00 99.99 O ATOM 1197 CB LEU C 46 7.612 -10.786 -15.561 1.00 99.99 C ATOM 1198 CG LEU C 46 8.409 -10.347 -14.308 1.00 99.99 C ATOM 1199 CD1 LEU C 46 8.490 -11.544 -13.340 1.00 99.99 C ATOM 1200 CD2 LEU C 46 9.816 -9.833 -14.633 1.00 99.99 C ATOM 0 H LEU C 46 6.088 -8.856 -15.003 1.00 99.99 H new ATOM 0 HA LEU C 46 8.105 -9.188 -16.919 1.00 99.99 H new ATOM 0 HB2 LEU C 46 6.704 -11.287 -15.225 1.00 99.99 H new ATOM 0 HB3 LEU C 46 8.206 -11.528 -16.095 1.00 99.99 H new ATOM 0 HG LEU C 46 7.882 -9.509 -13.853 1.00 99.99 H new ATOM 0 HD11 LEU C 46 9.048 -11.255 -12.450 1.00 99.99 H new ATOM 0 HD12 LEU C 46 7.484 -11.849 -13.054 1.00 99.99 H new ATOM 0 HD13 LEU C 46 8.995 -12.376 -13.831 1.00 99.99 H new ATOM 0 HD21 LEU C 46 10.319 -9.542 -13.711 1.00 99.99 H new ATOM 0 HD22 LEU C 46 10.387 -10.621 -15.125 1.00 99.99 H new ATOM 0 HD23 LEU C 46 9.744 -8.970 -15.295 1.00 99.99 H new ATOM 1213 N SER D 22 10.406 -0.577 18.973 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 7.867 -1.440 18.465 1.00 99.99 O ATOM 1217 CB SER D 22 11.009 -2.520 17.482 1.00 99.99 C ATOM 1218 OG SER D 22 10.774 -3.529 18.462 1.00 99.99 O ATOM 0 HA SER D 22 10.363 -0.543 16.886 1.00 99.99 H new ATOM 0 HB2 SER D 22 10.828 -2.936 16.491 1.00 99.99 H new ATOM 0 HB3 SER D 22 12.058 -2.226 17.517 1.00 99.99 H new ATOM 0 HG SER D 22 11.359 -4.296 18.289 1.00 99.99 H new ATOM 1223 N SER D 23 8.274 -2.078 16.326 1.00 99.99 N ATOM 1224 CA SER D 23 6.944 -2.557 16.033 1.00 99.99 C ATOM 1225 C SER D 23 7.118 -3.978 15.560 1.00 99.99 C ATOM 1226 O SER D 23 8.187 -4.565 15.727 1.00 99.99 O ATOM 1227 CB SER D 23 6.220 -1.698 14.968 1.00 99.99 C ATOM 1228 OG SER D 23 6.040 -0.372 15.445 1.00 99.99 O ATOM 0 H SER D 23 8.909 -2.138 15.530 1.00 99.99 H new ATOM 0 HA SER D 23 6.313 -2.495 16.919 1.00 99.99 H new ATOM 0 HB2 SER D 23 6.800 -1.684 14.046 1.00 99.99 H new ATOM 0 HB3 SER D 23 5.253 -2.141 14.730 1.00 99.99 H new ATOM 0 HG SER D 23 5.583 0.162 14.762 1.00 99.99 H new ATOM 1234 N ASP D 24 6.048 -4.581 14.980 1.00 99.99 N ATOM 1235 CA ASP D 24 6.014 -5.984 14.607 1.00 99.99 C ATOM 1236 C ASP D 24 6.575 -6.125 13.209 1.00 99.99 C ATOM 1237 O ASP D 24 6.449 -5.180 12.437 1.00 99.99 O ATOM 1238 CB ASP D 24 4.569 -6.555 14.614 1.00 99.99 C ATOM 1239 CG ASP D 24 3.947 -6.500 16.013 1.00 99.99 C ATOM 1240 OD1 ASP D 24 4.704 -6.417 17.019 1.00 99.99 O ATOM 1241 OD2 ASP D 24 2.691 -6.551 16.092 1.00 99.99 O ATOM 0 H ASP D 24 5.184 -4.084 14.764 1.00 99.99 H new ATOM 0 HA ASP D 24 6.603 -6.540 15.336 1.00 99.99 H new ATOM 0 HB2 ASP D 24 3.950 -5.989 13.918 1.00 99.99 H new ATOM 0 HB3 ASP D 24 4.583 -7.586 14.262 1.00 99.99 H new ATOM 1246 N PRO D 25 7.214 -7.228 12.813 1.00 99.99 N ATOM 1247 CA PRO D 25 8.060 -7.264 11.629 1.00 99.99 C ATOM 1248 C PRO D 25 7.268 -7.279 10.340 1.00 99.99 C ATOM 1249 O PRO D 25 7.826 -6.857 9.339 1.00 99.99 O ATOM 1250 CB PRO D 25 8.885 -8.553 11.779 1.00 99.99 C ATOM 1251 CG PRO D 25 8.044 -9.436 12.705 1.00 99.99 C ATOM 1252 CD PRO D 25 7.403 -8.416 13.642 1.00 99.99 C ATOM 0 HA PRO D 25 8.678 -6.368 11.565 1.00 99.99 H new ATOM 0 HB2 PRO D 25 9.051 -9.033 10.815 1.00 99.99 H new ATOM 0 HB3 PRO D 25 9.867 -8.349 12.207 1.00 99.99 H new ATOM 0 HG2 PRO D 25 7.296 -10.006 12.153 1.00 99.99 H new ATOM 0 HG3 PRO D 25 8.658 -10.156 13.247 1.00 99.99 H new ATOM 0 HD2 PRO D 25 6.454 -8.780 14.036 1.00 99.99 H new ATOM 0 HD3 PRO D 25 8.044 -8.205 14.498 1.00 99.99 H new ATOM 1260 N LEU D 26 6.005 -7.763 10.345 1.00 99.99 N ATOM 1261 CA LEU D 26 5.044 -7.754 9.250 1.00 99.99 C ATOM 1262 C LEU D 26 4.584 -6.327 8.994 1.00 99.99 C ATOM 1263 O LEU D 26 4.492 -5.937 7.857 1.00 99.99 O ATOM 1264 CB LEU D 26 3.779 -8.568 9.556 1.00 99.99 C ATOM 1265 CG LEU D 26 2.617 -8.433 8.546 1.00 99.99 C ATOM 1266 CD1 LEU D 26 2.976 -8.968 7.157 1.00 99.99 C ATOM 1267 CD2 LEU D 26 1.361 -9.130 9.086 1.00 99.99 C ATOM 0 H LEU D 26 5.616 -8.199 11.181 1.00 99.99 H new ATOM 0 HA LEU D 26 5.555 -8.194 8.393 1.00 99.99 H new ATOM 0 HB2 LEU D 26 4.056 -9.620 9.620 1.00 99.99 H new ATOM 0 HB3 LEU D 26 3.413 -8.275 10.540 1.00 99.99 H new ATOM 0 HG LEU D 26 2.416 -7.368 8.429 1.00 99.99 H new ATOM 0 HD11 LEU D 26 2.123 -8.848 6.489 1.00 99.99 H new ATOM 0 HD12 LEU D 26 3.827 -8.413 6.762 1.00 99.99 H new ATOM 0 HD13 LEU D 26 3.234 -10.025 7.230 1.00 99.99 H new ATOM 0 HD21 LEU D 26 0.550 -9.028 8.365 1.00 99.99 H new ATOM 0 HD22 LEU D 26 1.572 -10.187 9.247 1.00 99.99 H new ATOM 0 HD23 LEU D 26 1.068 -8.671 10.030 1.00 99.99 H new ATOM 1279 N VAL D 27 4.317 -5.631 10.012 1.00 99.99 N ATOM 1280 CA VAL D 27 3.842 -4.255 9.913 1.00 99.99 C ATOM 1281 C VAL D 27 4.966 -3.370 9.394 1.00 99.99 C ATOM 1282 O VAL D 27 4.729 -2.579 8.516 1.00 99.99 O ATOM 1283 CB VAL D 27 3.422 -3.670 11.268 1.00 99.99 C ATOM 1284 CG1 VAL D 27 3.045 -2.182 11.128 1.00 99.99 C ATOM 1285 CG2 VAL D 27 2.210 -4.456 11.816 1.00 99.99 C ATOM 0 H VAL D 27 4.411 -5.971 10.969 1.00 99.99 H new ATOM 0 HA VAL D 27 2.979 -4.276 9.247 1.00 99.99 H new ATOM 0 HB VAL D 27 4.262 -3.754 11.957 1.00 99.99 H new ATOM 0 HG11 VAL D 27 2.751 -1.788 12.101 1.00 99.99 H new ATOM 0 HG12 VAL D 27 3.903 -1.623 10.755 1.00 99.99 H new ATOM 0 HG13 VAL D 27 2.214 -2.081 10.429 1.00 99.99 H new ATOM 0 HG21 VAL D 27 1.912 -4.040 12.779 1.00 99.99 H new ATOM 0 HG22 VAL D 27 1.379 -4.379 11.115 1.00 99.99 H new ATOM 0 HG23 VAL D 27 2.483 -5.504 11.942 1.00 99.99 H new ATOM 1295 N VAL D 28 6.098 -3.519 9.932 1.00 99.99 N ATOM 1296 CA VAL D 28 7.256 -2.721 9.551 1.00 99.99 C ATOM 1297 C VAL D 28 7.702 -3.118 8.152 1.00 99.99 C ATOM 1298 O VAL D 28 7.994 -2.255 7.363 1.00 99.99 O ATOM 1299 CB VAL D 28 8.463 -2.942 10.471 1.00 99.99 C ATOM 1300 CG1 VAL D 28 9.716 -2.220 9.935 1.00 99.99 C ATOM 1301 CG2 VAL D 28 8.132 -2.445 11.892 1.00 99.99 C ATOM 0 H VAL D 28 6.287 -4.201 10.666 1.00 99.99 H new ATOM 0 HA VAL D 28 6.944 -1.679 9.615 1.00 99.99 H new ATOM 0 HB VAL D 28 8.679 -4.010 10.500 1.00 99.99 H new ATOM 0 HG11 VAL D 28 10.554 -2.396 10.609 1.00 99.99 H new ATOM 0 HG12 VAL D 28 9.961 -2.603 8.944 1.00 99.99 H new ATOM 0 HG13 VAL D 28 9.520 -1.150 9.872 1.00 99.99 H new ATOM 0 HG21 VAL D 28 8.992 -2.604 12.543 1.00 99.99 H new ATOM 0 HG22 VAL D 28 7.893 -1.382 11.859 1.00 99.99 H new ATOM 0 HG23 VAL D 28 7.276 -2.997 12.281 1.00 99.99 H new ATOM 1311 N ALA D 29 7.747 -4.354 7.904 1.00 99.99 N ATOM 1312 CA ALA D 29 8.183 -4.878 6.613 1.00 99.99 C ATOM 1313 C ALA D 29 7.238 -4.385 5.527 1.00 99.99 C ATOM 1314 O ALA D 29 7.701 -4.012 4.477 1.00 99.99 O ATOM 1315 CB ALA D 29 8.153 -6.410 6.549 1.00 99.99 C ATOM 0 H ALA D 29 7.486 -5.074 8.578 1.00 99.99 H new ATOM 0 HA ALA D 29 9.207 -4.533 6.472 1.00 99.99 H new ATOM 0 HB1 ALA D 29 8.488 -6.740 5.565 1.00 99.99 H new ATOM 0 HB2 ALA D 29 8.814 -6.819 7.313 1.00 99.99 H new ATOM 0 HB3 ALA D 29 7.136 -6.762 6.723 1.00 99.99 H new ATOM 1321 N ALA D 30 6.006 -4.404 5.797 1.00 99.99 N ATOM 1322 CA ALA D 30 4.991 -3.983 4.839 1.00 99.99 C ATOM 1323 C ALA D 30 5.178 -2.509 4.519 1.00 99.99 C ATOM 1324 O ALA D 30 4.958 -2.122 3.397 1.00 99.99 O ATOM 1325 CB ALA D 30 3.563 -4.129 5.382 1.00 99.99 C ATOM 0 H ALA D 30 5.630 -4.711 6.694 1.00 99.99 H new ATOM 0 HA ALA D 30 5.112 -4.623 3.965 1.00 99.99 H new ATOM 0 HB1 ALA D 30 2.851 -3.801 4.625 1.00 99.99 H new ATOM 0 HB2 ALA D 30 3.373 -5.173 5.630 1.00 99.99 H new ATOM 0 HB3 ALA D 30 3.450 -3.517 6.277 1.00 99.99 H new ATOM 1331 N SER D 31 5.558 -1.770 5.466 1.00 99.99 N ATOM 1332 CA SER D 31 5.754 -0.333 5.307 1.00 99.99 C ATOM 1333 C SER D 31 6.838 -0.087 4.268 1.00 99.99 C ATOM 1334 O SER D 31 6.654 0.746 3.415 1.00 99.99 O ATOM 1335 CB SER D 31 6.224 0.353 6.596 1.00 99.99 C ATOM 1336 OG SER D 31 5.213 0.292 7.600 1.00 99.99 O ATOM 0 H SER D 31 5.756 -2.115 6.405 1.00 99.99 H new ATOM 0 HA SER D 31 4.787 0.078 5.016 1.00 99.99 H new ATOM 0 HB2 SER D 31 7.132 -0.128 6.959 1.00 99.99 H new ATOM 0 HB3 SER D 31 6.475 1.393 6.389 1.00 99.99 H new ATOM 0 HG SER D 31 5.090 -0.638 7.884 1.00 99.99 H new ATOM 1342 N ILE D 32 7.888 -0.779 4.372 1.00 99.99 N ATOM 1343 CA ILE D 32 9.016 -0.628 3.462 1.00 99.99 C ATOM 1344 C ILE D 32 8.588 -1.021 2.056 1.00 99.99 C ATOM 1345 O ILE D 32 9.016 -0.401 1.117 1.00 99.99 O ATOM 1346 CB ILE D 32 10.201 -1.534 3.823 1.00 99.99 C ATOM 1347 CG1 ILE D 32 10.799 -1.112 5.184 1.00 99.99 C ATOM 1348 CG2 ILE D 32 11.288 -1.482 2.730 1.00 99.99 C ATOM 1349 CD1 ILE D 32 11.739 -2.169 5.780 1.00 99.99 C ATOM 0 H ILE D 32 8.027 -1.488 5.092 1.00 99.99 H new ATOM 0 HA ILE D 32 9.326 0.415 3.533 1.00 99.99 H new ATOM 0 HB ILE D 32 9.836 -2.559 3.895 1.00 99.99 H new ATOM 0 HG12 ILE D 32 11.345 -0.177 5.060 1.00 99.99 H new ATOM 0 HG13 ILE D 32 9.988 -0.917 5.886 1.00 99.99 H new ATOM 0 HG21 ILE D 32 12.117 -2.132 3.010 1.00 99.99 H new ATOM 0 HG22 ILE D 32 10.867 -1.818 1.782 1.00 99.99 H new ATOM 0 HG23 ILE D 32 11.649 -0.459 2.625 1.00 99.99 H new ATOM 0 HD11 ILE D 32 12.127 -1.814 6.735 1.00 99.99 H new ATOM 0 HD12 ILE D 32 11.191 -3.098 5.934 1.00 99.99 H new ATOM 0 HD13 ILE D 32 12.568 -2.346 5.095 1.00 99.99 H new ATOM 1361 N ILE D 33 7.797 -1.999 1.963 1.00 99.99 N ATOM 1362 CA ILE D 33 7.325 -2.503 0.678 1.00 99.99 C ATOM 1363 C ILE D 33 6.548 -1.407 -0.038 1.00 99.99 C ATOM 1364 O ILE D 33 6.775 -1.193 -1.202 1.00 99.99 O ATOM 1365 CB ILE D 33 6.363 -3.692 0.817 1.00 99.99 C ATOM 1366 CG1 ILE D 33 7.200 -4.983 0.998 1.00 99.99 C ATOM 1367 CG2 ILE D 33 5.415 -3.816 -0.389 1.00 99.99 C ATOM 1368 CD1 ILE D 33 6.411 -6.189 1.521 1.00 99.99 C ATOM 0 H ILE D 33 7.431 -2.507 2.768 1.00 99.99 H new ATOM 0 HA ILE D 33 8.213 -2.821 0.131 1.00 99.99 H new ATOM 0 HB ILE D 33 5.729 -3.531 1.689 1.00 99.99 H new ATOM 0 HG12 ILE D 33 7.648 -5.247 0.040 1.00 99.99 H new ATOM 0 HG13 ILE D 33 8.019 -4.775 1.687 1.00 99.99 H new ATOM 0 HG21 ILE D 33 4.754 -4.671 -0.246 1.00 99.99 H new ATOM 0 HG22 ILE D 33 4.820 -2.907 -0.479 1.00 99.99 H new ATOM 0 HG23 ILE D 33 5.999 -3.958 -1.298 1.00 99.99 H new ATOM 0 HD11 ILE D 33 7.077 -7.046 1.616 1.00 99.99 H new ATOM 0 HD12 ILE D 33 5.985 -5.950 2.496 1.00 99.99 H new ATOM 0 HD13 ILE D 33 5.609 -6.429 0.823 1.00 99.99 H new ATOM 1380 N GLY D 34 5.696 -0.779 0.649 1.00 99.99 N ATOM 1381 CA GLY D 34 4.865 0.280 0.084 1.00 99.99 C ATOM 1382 C GLY D 34 5.745 1.452 -0.314 1.00 99.99 C ATOM 1383 O GLY D 34 5.479 2.071 -1.314 1.00 99.99 O ATOM 0 H GLY D 34 5.524 -0.960 1.638 1.00 99.99 H new ATOM 0 HA2 GLY D 34 4.322 -0.093 -0.784 1.00 99.99 H new ATOM 0 HA3 GLY D 34 4.120 0.601 0.812 1.00 99.99 H new ATOM 1387 N ILE D 35 7.013 1.407 0.063 1.00 99.99 N ATOM 1388 CA ILE D 35 7.890 2.461 -0.442 1.00 99.99 C ATOM 1389 C ILE D 35 8.619 1.962 -1.679 1.00 99.99 C ATOM 1390 O ILE D 35 8.680 2.674 -2.648 1.00 99.99 O ATOM 1391 CB ILE D 35 8.973 2.868 0.565 1.00 99.99 C ATOM 1392 CG1 ILE D 35 8.326 3.383 1.875 1.00 99.99 C ATOM 1393 CG2 ILE D 35 9.879 3.955 -0.052 1.00 99.99 C ATOM 1394 CD1 ILE D 35 9.290 3.522 3.058 1.00 99.99 C ATOM 0 H ILE D 35 7.439 0.709 0.672 1.00 99.99 H new ATOM 0 HA ILE D 35 7.250 3.319 -0.648 1.00 99.99 H new ATOM 0 HB ILE D 35 9.581 1.995 0.803 1.00 99.99 H new ATOM 0 HG12 ILE D 35 7.870 4.354 1.681 1.00 99.99 H new ATOM 0 HG13 ILE D 35 7.522 2.704 2.158 1.00 99.99 H new ATOM 0 HG21 ILE D 35 10.646 4.240 0.667 1.00 99.99 H new ATOM 0 HG22 ILE D 35 10.353 3.565 -0.953 1.00 99.99 H new ATOM 0 HG23 ILE D 35 9.278 4.828 -0.307 1.00 99.99 H new ATOM 0 HD11 ILE D 35 8.747 3.888 3.929 1.00 99.99 H new ATOM 0 HD12 ILE D 35 9.729 2.551 3.286 1.00 99.99 H new ATOM 0 HD13 ILE D 35 10.081 4.226 2.802 1.00 99.99 H new ATOM 1406 N LEU D 36 9.125 0.809 -1.608 1.00 99.99 N ATOM 1407 CA LEU D 36 9.877 0.217 -2.711 1.00 99.99 C ATOM 1408 C LEU D 36 8.973 0.106 -3.930 1.00 99.99 C ATOM 1409 O LEU D 36 9.413 0.398 -5.013 1.00 99.99 O ATOM 1410 CB LEU D 36 10.366 -1.204 -2.404 1.00 99.99 C ATOM 1411 CG LEU D 36 11.053 -1.936 -3.576 1.00 99.99 C ATOM 1412 CD1 LEU D 36 12.337 -1.213 -4.006 1.00 99.99 C ATOM 1413 CD2 LEU D 36 11.344 -3.399 -3.216 1.00 99.99 C ATOM 0 H LEU D 36 9.049 0.209 -0.787 1.00 99.99 H new ATOM 0 HA LEU D 36 10.738 0.864 -2.879 1.00 99.99 H new ATOM 0 HB2 LEU D 36 11.064 -1.157 -1.568 1.00 99.99 H new ATOM 0 HB3 LEU D 36 9.515 -1.800 -2.075 1.00 99.99 H new ATOM 0 HG LEU D 36 10.365 -1.926 -4.421 1.00 99.99 H new ATOM 0 HD11 LEU D 36 12.799 -1.752 -4.833 1.00 99.99 H new ATOM 0 HD12 LEU D 36 12.095 -0.199 -4.324 1.00 99.99 H new ATOM 0 HD13 LEU D 36 13.031 -1.174 -3.166 1.00 99.99 H new ATOM 0 HD21 LEU D 36 11.828 -3.892 -4.059 1.00 99.99 H new ATOM 0 HD22 LEU D 36 12.002 -3.436 -2.348 1.00 99.99 H new ATOM 0 HD23 LEU D 36 10.409 -3.910 -2.985 1.00 99.99 H new ATOM 1425 N HIS D 37 7.707 -0.338 -3.758 1.00 99.99 N ATOM 1426 CA HIS D 37 6.754 -0.547 -4.821 1.00 99.99 C ATOM 1427 C HIS D 37 6.454 0.757 -5.510 1.00 99.99 C ATOM 1428 O HIS D 37 6.115 0.778 -6.691 1.00 99.99 O ATOM 1429 CB HIS D 37 5.432 -1.150 -4.288 1.00 99.99 C ATOM 1430 CG HIS D 37 4.465 -1.569 -5.365 1.00 99.99 C ATOM 1431 ND1 HIS D 37 3.141 -1.807 -5.111 1.00 99.99 N ATOM 1432 CD2 HIS D 37 4.672 -1.835 -6.676 1.00 99.99 C ATOM 1433 CE1 HIS D 37 2.562 -2.195 -6.239 1.00 99.99 C ATOM 1434 NE2 HIS D 37 3.470 -2.219 -7.205 1.00 99.99 N ATOM 0 H HIS D 37 7.329 -0.562 -2.837 1.00 99.99 H new ATOM 0 HA HIS D 37 7.198 -1.250 -5.526 1.00 99.99 H new ATOM 0 HB2 HIS D 37 5.665 -2.016 -3.668 1.00 99.99 H new ATOM 0 HB3 HIS D 37 4.946 -0.418 -3.644 1.00 99.99 H new ATOM 0 HD2 HIS D 37 5.610 -1.758 -7.205 1.00 99.99 H new ATOM 0 HE1 HIS D 37 1.519 -2.450 -6.353 1.00 99.99 H new ATOM 0 HE2 HIS D 37 3.301 -2.479 -8.177 1.00 99.99 H new ATOM 1442 N LEU D 38 6.618 1.884 -4.775 1.00 99.99 N ATOM 1443 CA LEU D 38 6.388 3.222 -5.307 1.00 99.99 C ATOM 1444 C LEU D 38 7.512 3.581 -6.268 1.00 99.99 C ATOM 1445 O LEU D 38 7.239 4.100 -7.321 1.00 99.99 O ATOM 1446 CB LEU D 38 6.386 4.306 -4.220 1.00 99.99 C ATOM 1447 CG LEU D 38 6.168 5.735 -4.775 1.00 99.99 C ATOM 1448 CD1 LEU D 38 4.835 5.857 -5.525 1.00 99.99 C ATOM 1449 CD2 LEU D 38 6.264 6.799 -3.681 1.00 99.99 C ATOM 0 H LEU D 38 6.914 1.876 -3.799 1.00 99.99 H new ATOM 0 HA LEU D 38 5.411 3.195 -5.789 1.00 99.99 H new ATOM 0 HB2 LEU D 38 5.602 4.082 -3.496 1.00 99.99 H new ATOM 0 HB3 LEU D 38 7.334 4.274 -3.684 1.00 99.99 H new ATOM 0 HG LEU D 38 6.975 5.914 -5.485 1.00 99.99 H new ATOM 0 HD11 LEU D 38 4.720 6.874 -5.899 1.00 99.99 H new ATOM 0 HD12 LEU D 38 4.823 5.159 -6.362 1.00 99.99 H new ATOM 0 HD13 LEU D 38 4.014 5.624 -4.847 1.00 99.99 H new ATOM 0 HD21 LEU D 38 6.104 7.785 -4.117 1.00 99.99 H new ATOM 0 HD22 LEU D 38 5.504 6.611 -2.923 1.00 99.99 H new ATOM 0 HD23 LEU D 38 7.252 6.761 -3.222 1.00 99.99 H new ATOM 1461 N ILE D 39 8.683 3.311 -5.892 1.00 99.99 N ATOM 1462 CA ILE D 39 9.857 3.625 -6.700 1.00 99.99 C ATOM 1463 C ILE D 39 9.814 2.809 -7.983 1.00 99.99 C ATOM 1464 O ILE D 39 10.081 3.346 -9.029 1.00 99.99 O ATOM 1465 CB ILE D 39 11.177 3.267 -6.003 1.00 99.99 C ATOM 1466 CG1 ILE D 39 11.389 4.185 -4.779 1.00 99.99 C ATOM 1467 CG2 ILE D 39 12.356 3.400 -6.990 1.00 99.99 C ATOM 1468 CD1 ILE D 39 12.590 3.788 -3.909 1.00 99.99 C ATOM 0 H ILE D 39 8.899 2.857 -5.004 1.00 99.99 H new ATOM 0 HA ILE D 39 9.827 4.700 -6.879 1.00 99.99 H new ATOM 0 HB ILE D 39 11.130 2.233 -5.662 1.00 99.99 H new ATOM 0 HG12 ILE D 39 11.525 5.210 -5.124 1.00 99.99 H new ATOM 0 HG13 ILE D 39 10.488 4.172 -4.166 1.00 99.99 H new ATOM 0 HG21 ILE D 39 13.286 3.143 -6.483 1.00 99.99 H new ATOM 0 HG22 ILE D 39 12.204 2.725 -7.832 1.00 99.99 H new ATOM 0 HG23 ILE D 39 12.412 4.426 -7.353 1.00 99.99 H new ATOM 0 HD11 ILE D 39 12.675 4.478 -3.069 1.00 99.99 H new ATOM 0 HD12 ILE D 39 12.448 2.775 -3.533 1.00 99.99 H new ATOM 0 HD13 ILE D 39 13.501 3.829 -4.506 1.00 99.99 H new ATOM 1480 N LEU D 40 9.504 1.593 -7.869 1.00 99.99 N ATOM 1481 CA LEU D 40 9.449 0.688 -9.011 1.00 99.99 C ATOM 1482 C LEU D 40 8.394 1.177 -9.992 1.00 99.99 C ATOM 1483 O LEU D 40 8.644 1.176 -11.171 1.00 99.99 O ATOM 1484 CB LEU D 40 9.051 -0.742 -8.625 1.00 99.99 C ATOM 1485 CG LEU D 40 10.112 -1.538 -7.834 1.00 99.99 C ATOM 1486 CD1 LEU D 40 9.532 -2.904 -7.418 1.00 99.99 C ATOM 1487 CD2 LEU D 40 11.406 -1.741 -8.635 1.00 99.99 C ATOM 0 H LEU D 40 9.270 1.153 -6.979 1.00 99.99 H new ATOM 0 HA LEU D 40 10.452 0.677 -9.438 1.00 99.99 H new ATOM 0 HB2 LEU D 40 8.138 -0.698 -8.031 1.00 99.99 H new ATOM 0 HB3 LEU D 40 8.813 -1.292 -9.535 1.00 99.99 H new ATOM 0 HG LEU D 40 10.367 -0.955 -6.949 1.00 99.99 H new ATOM 0 HD11 LEU D 40 10.283 -3.463 -6.860 1.00 99.99 H new ATOM 0 HD12 LEU D 40 8.654 -2.751 -6.791 1.00 99.99 H new ATOM 0 HD13 LEU D 40 9.249 -3.465 -8.308 1.00 99.99 H new ATOM 0 HD21 LEU D 40 12.120 -2.306 -8.036 1.00 99.99 H new ATOM 0 HD22 LEU D 40 11.185 -2.291 -9.550 1.00 99.99 H new ATOM 0 HD23 LEU D 40 11.833 -0.771 -8.889 1.00 99.99 H new ATOM 1499 N TRP D 41 7.296 1.557 -9.497 1.00 99.99 N ATOM 1500 CA TRP D 41 6.188 2.024 -10.320 1.00 99.99 C ATOM 1501 C TRP D 41 6.571 3.343 -10.975 1.00 99.99 C ATOM 1502 O TRP D 41 6.309 3.519 -12.138 1.00 99.99 O ATOM 1503 CB TRP D 41 4.914 2.294 -9.509 1.00 99.99 C ATOM 1504 CG TRP D 41 3.713 2.680 -10.354 1.00 99.99 C ATOM 1505 CD1 TRP D 41 2.923 1.847 -11.086 1.00 99.99 C ATOM 1506 CD2 TRP D 41 3.261 4.018 -10.623 1.00 99.99 C ATOM 1507 NE1 TRP D 41 1.953 2.561 -11.730 1.00 99.99 N ATOM 1508 CE2 TRP D 41 2.164 3.899 -11.496 1.00 99.99 C ATOM 1509 CE3 TRP D 41 3.708 5.264 -10.173 1.00 99.99 C ATOM 1510 CZ2 TRP D 41 1.476 5.023 -11.927 1.00 99.99 C ATOM 1511 CZ3 TRP D 41 3.020 6.393 -10.622 1.00 99.99 C ATOM 1512 CH2 TRP D 41 1.917 6.282 -11.487 1.00 99.99 C ATOM 0 H TRP D 41 7.102 1.566 -8.496 1.00 99.99 H new ATOM 0 HA TRP D 41 5.989 1.234 -11.045 1.00 99.99 H new ATOM 0 HB2 TRP D 41 4.668 1.403 -8.932 1.00 99.99 H new ATOM 0 HB3 TRP D 41 5.113 3.092 -8.794 1.00 99.99 H new ATOM 0 HD1 TRP D 41 3.046 0.776 -11.148 1.00 99.99 H new ATOM 0 HE1 TRP D 41 1.198 2.167 -12.291 1.00 99.99 H new ATOM 0 HE3 TRP D 41 4.552 5.350 -9.505 1.00 99.99 H new ATOM 0 HZ2 TRP D 41 0.623 4.933 -12.584 1.00 99.99 H new ATOM 0 HZ3 TRP D 41 3.342 7.372 -10.298 1.00 99.99 H new ATOM 0 HH2 TRP D 41 1.404 7.173 -11.816 1.00 99.99 H new ATOM 1523 N ILE D 42 7.140 4.194 -10.236 1.00 99.99 N ATOM 1524 CA ILE D 42 7.537 5.511 -10.724 1.00 99.99 C ATOM 1525 C ILE D 42 8.644 5.351 -11.756 1.00 99.99 C ATOM 1526 O ILE D 42 8.615 6.026 -12.754 1.00 99.99 O ATOM 1527 CB ILE D 42 8.103 6.412 -9.621 1.00 99.99 C ATOM 1528 CG1 ILE D 42 6.970 6.856 -8.665 1.00 99.99 C ATOM 1529 CG2 ILE D 42 8.807 7.646 -10.224 1.00 99.99 C ATOM 1530 CD1 ILE D 42 7.463 7.686 -7.470 1.00 99.99 C ATOM 0 H ILE D 42 7.363 4.029 -9.254 1.00 99.99 H new ATOM 0 HA ILE D 42 6.637 5.969 -11.134 1.00 99.99 H new ATOM 0 HB ILE D 42 8.841 5.842 -9.057 1.00 99.99 H new ATOM 0 HG12 ILE D 42 6.241 7.440 -9.226 1.00 99.99 H new ATOM 0 HG13 ILE D 42 6.452 5.972 -8.293 1.00 99.99 H new ATOM 0 HG21 ILE D 42 9.200 8.269 -9.421 1.00 99.99 H new ATOM 0 HG22 ILE D 42 9.627 7.320 -10.865 1.00 99.99 H new ATOM 0 HG23 ILE D 42 8.092 8.221 -10.813 1.00 99.99 H new ATOM 0 HD11 ILE D 42 6.615 7.962 -6.844 1.00 99.99 H new ATOM 0 HD12 ILE D 42 8.170 7.097 -6.885 1.00 99.99 H new ATOM 0 HD13 ILE D 42 7.955 8.589 -7.832 1.00 99.99 H new ATOM 1542 N LEU D 43 9.547 4.510 -11.491 1.00 99.99 N ATOM 1543 CA LEU D 43 10.679 4.276 -12.379 1.00 99.99 C ATOM 1544 C LEU D 43 10.180 3.677 -13.686 1.00 99.99 C ATOM 1545 O LEU D 43 10.720 3.989 -14.717 1.00 99.99 O ATOM 1546 CB LEU D 43 11.690 3.275 -11.804 1.00 99.99 C ATOM 1547 CG LEU D 43 12.485 3.801 -10.585 1.00 99.99 C ATOM 1548 CD1 LEU D 43 13.265 2.650 -9.922 1.00 99.99 C ATOM 1549 CD2 LEU D 43 13.448 4.935 -10.971 1.00 99.99 C ATOM 0 H LEU D 43 9.555 3.937 -10.647 1.00 99.99 H new ATOM 0 HA LEU D 43 11.165 5.242 -12.515 1.00 99.99 H new ATOM 0 HB2 LEU D 43 11.160 2.368 -11.513 1.00 99.99 H new ATOM 0 HB3 LEU D 43 12.393 2.996 -12.589 1.00 99.99 H new ATOM 0 HG LEU D 43 11.764 4.208 -9.876 1.00 99.99 H new ATOM 0 HD11 LEU D 43 13.820 3.033 -9.066 1.00 99.99 H new ATOM 0 HD12 LEU D 43 12.567 1.882 -9.588 1.00 99.99 H new ATOM 0 HD13 LEU D 43 13.960 2.219 -10.642 1.00 99.99 H new ATOM 0 HD21 LEU D 43 13.985 5.274 -10.085 1.00 99.99 H new ATOM 0 HD22 LEU D 43 14.161 4.571 -11.710 1.00 99.99 H new ATOM 0 HD23 LEU D 43 12.882 5.766 -11.392 1.00 99.99 H new ATOM 1561 N ASP D 44 9.217 2.866 -13.604 1.00 99.99 N ATOM 1562 CA ASP D 44 8.657 2.199 -14.771 1.00 99.99 C ATOM 1563 C ASP D 44 7.990 3.231 -15.670 1.00 99.99 C ATOM 1564 O ASP D 44 8.119 3.137 -16.865 1.00 99.99 O ATOM 1565 CB ASP D 44 7.572 1.173 -14.413 1.00 99.99 C ATOM 1566 CG ASP D 44 7.051 0.411 -15.647 1.00 99.99 C ATOM 1567 OD1 ASP D 44 7.837 -0.364 -16.243 1.00 99.99 O ATOM 1568 OD2 ASP D 44 5.840 0.549 -15.992 1.00 99.99 O ATOM 0 H ASP D 44 8.762 2.618 -12.725 1.00 99.99 H new ATOM 0 HA ASP D 44 9.488 1.688 -15.257 1.00 99.99 H new ATOM 0 HB2 ASP D 44 7.974 0.460 -13.693 1.00 99.99 H new ATOM 0 HB3 ASP D 44 6.740 1.683 -13.927 1.00 99.99 H new ATOM 1573 N ARG D 45 7.326 4.135 -15.095 1.00 99.99 N ATOM 1574 CA ARG D 45 6.617 5.174 -15.833 1.00 99.99 C ATOM 1575 C ARG D 45 7.620 6.030 -16.591 1.00 99.99 C ATOM 1576 O ARG D 45 7.381 6.342 -17.730 1.00 99.99 O ATOM 1577 CB ARG D 45 5.838 6.130 -14.920 1.00 99.99 C ATOM 1578 CG ARG D 45 4.681 5.453 -14.155 1.00 99.99 C ATOM 1579 CD ARG D 45 3.458 5.171 -15.038 1.00 99.99 C ATOM 1580 NE ARG D 45 3.569 3.767 -15.576 1.00 99.99 N ATOM 1581 CZ ARG D 45 2.908 3.391 -16.687 1.00 99.99 C ATOM 1582 NH1 ARG D 45 2.104 4.241 -17.350 1.00 99.99 N ATOM 1583 NH2 ARG D 45 3.043 2.123 -17.110 1.00 99.99 N ATOM 0 H ARG D 45 7.234 4.209 -14.082 1.00 99.99 H new ATOM 0 HA ARG D 45 5.920 4.657 -16.492 1.00 99.99 H new ATOM 0 HB2 ARG D 45 6.527 6.573 -14.201 1.00 99.99 H new ATOM 0 HB3 ARG D 45 5.436 6.946 -15.521 1.00 99.99 H new ATOM 0 HG2 ARG D 45 5.036 4.516 -13.727 1.00 99.99 H new ATOM 0 HG3 ARG D 45 4.382 6.090 -13.323 1.00 99.99 H new ATOM 0 HD2 ARG D 45 2.540 5.284 -14.461 1.00 99.99 H new ATOM 0 HD3 ARG D 45 3.409 5.888 -15.858 1.00 99.99 H new ATOM 0 HE ARG D 45 4.156 3.089 -15.089 1.00 99.99 H new ATOM 0 HH11 ARG D 45 1.983 5.196 -17.014 1.00 99.99 H new ATOM 0 HH12 ARG D 45 1.615 3.930 -18.189 1.00 99.99 H new ATOM 0 HH21 ARG D 45 3.635 1.473 -16.592 1.00 99.99 H new ATOM 0 HH22 ARG D 45 2.554 1.810 -17.949 1.00 99.99 H new ATOM 1597 N LEU D 46 8.660 6.370 -15.963 1.00 99.99 N ATOM 1598 CA LEU D 46 9.693 7.209 -16.559 1.00 99.99 C ATOM 1599 C LEU D 46 10.389 6.438 -17.670 1.00 99.99 C ATOM 1600 O LEU D 46 11.081 5.453 -17.420 1.00 99.99 O ATOM 1601 CB LEU D 46 10.786 7.612 -15.561 1.00 99.99 C ATOM 1602 CG LEU D 46 10.347 8.409 -14.308 1.00 99.99 C ATOM 1603 CD1 LEU D 46 11.544 8.490 -13.340 1.00 99.99 C ATOM 1604 CD2 LEU D 46 9.833 9.816 -14.633 1.00 99.99 C ATOM 0 H LEU D 46 8.856 6.088 -15.003 1.00 99.99 H new ATOM 0 HA LEU D 46 9.188 8.105 -16.919 1.00 99.99 H new ATOM 0 HB2 LEU D 46 11.287 6.704 -15.225 1.00 99.99 H new ATOM 0 HB3 LEU D 46 11.528 8.206 -16.095 1.00 99.99 H new ATOM 0 HG LEU D 46 9.509 7.882 -13.853 1.00 99.99 H new ATOM 0 HD11 LEU D 46 11.255 9.048 -12.450 1.00 99.99 H new ATOM 0 HD12 LEU D 46 11.849 7.484 -13.054 1.00 99.99 H new ATOM 0 HD13 LEU D 46 12.376 8.995 -13.831 1.00 99.99 H new ATOM 0 HD21 LEU D 46 9.542 10.319 -13.711 1.00 99.99 H new ATOM 0 HD22 LEU D 46 10.621 10.387 -15.125 1.00 99.99 H new ATOM 0 HD23 LEU D 46 8.970 9.744 -15.295 1.00 99.99 H new