USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 411 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 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 140:sc= -2.41! (180deg=-5.55!) USER MOD Single : A 4 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00281) USER MOD Single : A 6 SER OG : rot 180:sc= 0.163 USER MOD Single : A 9 LYS NZ :NH3+ 174:sc= 0.434 (180deg=0.431) USER MOD Single : A 10 LYS NZ :NH3+ -139:sc= 1.21 (180deg=-0.629) USER MOD Single : A 37 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.034) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -4.45! C(o=-4.5!,f=-6.3!) USER MOD Single : A 52 HIS : no HD1:sc= -0.189 K(o=-0.19,f=-3.9!) USER MOD Single : A 56 LYS NZ :NH3+ -146:sc= -0.236 (180deg=-0.892) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.520 -0.694 -5.879 1.00 0.00 N ATOM 2 CA ALA A 1 -1.523 0.264 -6.421 1.00 0.00 C ATOM 3 C ALA A 1 -1.147 1.294 -5.363 1.00 0.00 C ATOM 4 O ALA A 1 -1.951 2.171 -5.042 1.00 0.00 O ATOM 5 CB ALA A 1 -2.064 0.956 -7.664 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.767 -1.390 -6.611 1.00 0.00 H new ATOM 0 H2 ALA A 1 -2.117 -1.186 -5.056 1.00 0.00 H new ATOM 0 H3 ALA A 1 -3.375 -0.178 -5.590 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.628 -0.293 -6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.319 1.654 -8.046 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.288 0.211 -8.427 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.974 1.500 -7.411 1.00 0.00 H new ATOM 13 N MET A 2 0.071 1.166 -4.824 1.00 0.00 N ATOM 14 CA MET A 2 0.578 2.067 -3.783 1.00 0.00 C ATOM 15 C MET A 2 -0.313 2.022 -2.546 1.00 0.00 C ATOM 16 O MET A 2 -0.590 3.053 -1.928 1.00 0.00 O ATOM 17 CB MET A 2 0.676 3.507 -4.301 1.00 0.00 C ATOM 18 CG MET A 2 1.666 3.706 -5.447 1.00 0.00 C ATOM 19 SD MET A 2 3.396 3.697 -4.917 1.00 0.00 S ATOM 20 CE MET A 2 3.684 1.962 -4.566 1.00 0.00 C ATOM 0 H MET A 2 0.731 0.437 -5.096 1.00 0.00 H new ATOM 0 HA MET A 2 1.577 1.726 -3.510 1.00 0.00 H new ATOM 0 HB2 MET A 2 -0.312 3.828 -4.632 1.00 0.00 H new ATOM 0 HB3 MET A 2 0.962 4.158 -3.475 1.00 0.00 H new ATOM 0 HG2 MET A 2 1.517 2.919 -6.186 1.00 0.00 H new ATOM 0 HG3 MET A 2 1.451 4.653 -5.942 1.00 0.00 H new ATOM 0 HE1 MET A 2 4.676 1.679 -4.918 1.00 0.00 H new ATOM 0 HE2 MET A 2 3.618 1.792 -3.491 1.00 0.00 H new ATOM 0 HE3 MET A 2 2.933 1.358 -5.075 1.00 0.00 H new ATOM 30 N GLY A 3 -0.778 0.827 -2.200 1.00 0.00 N ATOM 31 CA GLY A 3 -1.653 0.687 -1.054 1.00 0.00 C ATOM 32 C GLY A 3 -3.075 0.412 -1.467 1.00 0.00 C ATOM 33 O GLY A 3 -3.378 0.296 -2.657 1.00 0.00 O ATOM 0 H GLY A 3 -0.566 -0.042 -2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.295 -0.124 -0.420 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -1.618 1.598 -0.456 1.00 0.00 H new ATOM 37 N LYS A 4 -3.963 0.362 -0.482 1.00 0.00 N ATOM 38 CA LYS A 4 -5.384 0.168 -0.723 1.00 0.00 C ATOM 39 C LYS A 4 -5.952 1.526 -1.121 1.00 0.00 C ATOM 40 O LYS A 4 -7.159 1.760 -1.138 1.00 0.00 O ATOM 41 CB LYS A 4 -6.055 -0.339 0.562 1.00 0.00 C ATOM 42 CG LYS A 4 -7.443 -0.943 0.375 1.00 0.00 C ATOM 43 CD LYS A 4 -7.385 -2.287 -0.333 1.00 0.00 C ATOM 44 CE LYS A 4 -7.645 -3.438 0.628 1.00 0.00 C ATOM 45 NZ LYS A 4 -6.604 -3.536 1.691 1.00 0.00 N ATOM 0 H LYS A 4 -3.717 0.455 0.504 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.562 -0.567 -1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.409 -1.088 1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.129 0.490 1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.920 -1.065 1.347 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.064 -0.256 -0.200 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.123 -2.308 -1.135 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.406 -2.413 -0.796 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.623 -3.307 1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.680 -4.373 0.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.806 -4.355 2.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.669 -3.654 1.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.610 -2.668 2.264 1.00 0.00 H new ATOM 59 N CYS A 5 -5.022 2.425 -1.391 1.00 0.00 N ATOM 60 CA CYS A 5 -5.307 3.788 -1.742 1.00 0.00 C ATOM 61 C CYS A 5 -4.489 4.202 -2.963 1.00 0.00 C ATOM 62 O CYS A 5 -3.265 4.280 -2.884 1.00 0.00 O ATOM 63 CB CYS A 5 -4.917 4.650 -0.549 1.00 0.00 C ATOM 64 SG CYS A 5 -5.710 4.151 1.020 1.00 0.00 S ATOM 0 H CYS A 5 -4.025 2.213 -1.369 1.00 0.00 H new ATOM 0 HA CYS A 5 -6.363 3.907 -1.985 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -3.835 4.612 -0.425 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -5.178 5.687 -0.762 1.00 0.00 H new ATOM 69 N SER A 6 -5.158 4.466 -4.084 1.00 0.00 N ATOM 70 CA SER A 6 -4.471 4.875 -5.309 1.00 0.00 C ATOM 71 C SER A 6 -3.922 6.299 -5.177 1.00 0.00 C ATOM 72 O SER A 6 -3.959 6.887 -4.098 1.00 0.00 O ATOM 73 CB SER A 6 -5.424 4.783 -6.508 1.00 0.00 C ATOM 74 OG SER A 6 -4.734 4.957 -7.737 1.00 0.00 O ATOM 0 H SER A 6 -6.173 4.404 -4.170 1.00 0.00 H new ATOM 0 HA SER A 6 -3.632 4.199 -5.472 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.923 3.814 -6.504 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.201 5.542 -6.415 1.00 0.00 H new ATOM 0 HG SER A 6 -5.369 4.891 -8.481 1.00 0.00 H new ATOM 80 N VAL A 7 -3.424 6.839 -6.289 1.00 0.00 N ATOM 81 CA VAL A 7 -2.864 8.193 -6.335 1.00 0.00 C ATOM 82 C VAL A 7 -3.804 9.216 -5.707 1.00 0.00 C ATOM 83 O VAL A 7 -3.453 9.893 -4.740 1.00 0.00 O ATOM 84 CB VAL A 7 -2.540 8.602 -7.795 1.00 0.00 C ATOM 85 CG1 VAL A 7 -3.696 8.283 -8.745 1.00 0.00 C ATOM 86 CG2 VAL A 7 -2.134 10.075 -7.885 1.00 0.00 C ATOM 0 H VAL A 7 -3.397 6.351 -7.185 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.942 8.180 -5.753 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.687 8.004 -8.115 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.429 8.585 -9.758 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.897 7.212 -8.727 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.587 8.825 -8.428 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.914 10.329 -8.922 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.951 10.700 -7.524 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.248 10.246 -7.273 1.00 0.00 H new ATOM 96 N LEU A 8 -4.990 9.318 -6.269 1.00 0.00 N ATOM 97 CA LEU A 8 -6.001 10.252 -5.782 1.00 0.00 C ATOM 98 C LEU A 8 -6.488 9.854 -4.391 1.00 0.00 C ATOM 99 O LEU A 8 -6.906 10.700 -3.608 1.00 0.00 O ATOM 100 CB LEU A 8 -7.186 10.327 -6.753 1.00 0.00 C ATOM 101 CG LEU A 8 -7.958 9.019 -6.973 1.00 0.00 C ATOM 102 CD1 LEU A 8 -9.403 9.316 -7.340 1.00 0.00 C ATOM 103 CD2 LEU A 8 -7.317 8.199 -8.081 1.00 0.00 C ATOM 0 H LEU A 8 -5.286 8.763 -7.072 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.539 11.237 -5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.883 11.080 -6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.818 10.676 -7.718 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.929 8.448 -6.045 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.939 8.380 -7.493 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.875 9.877 -6.533 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.432 9.905 -8.257 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.879 7.276 -8.222 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.323 8.772 -9.008 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.289 7.960 -7.809 1.00 0.00 H new ATOM 115 N LYS A 9 -6.417 8.566 -4.073 1.00 0.00 N ATOM 116 CA LYS A 9 -6.839 8.093 -2.770 1.00 0.00 C ATOM 117 C LYS A 9 -5.766 8.358 -1.721 1.00 0.00 C ATOM 118 O LYS A 9 -5.998 8.190 -0.525 1.00 0.00 O ATOM 119 CB LYS A 9 -7.210 6.621 -2.834 1.00 0.00 C ATOM 120 CG LYS A 9 -8.555 6.383 -3.502 1.00 0.00 C ATOM 121 CD LYS A 9 -9.655 7.184 -2.811 1.00 0.00 C ATOM 122 CE LYS A 9 -10.968 7.151 -3.584 1.00 0.00 C ATOM 123 NZ LYS A 9 -12.085 6.596 -2.774 1.00 0.00 N ATOM 0 H LYS A 9 -6.072 7.838 -4.699 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.728 8.648 -2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.437 6.079 -3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.233 6.212 -1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.499 6.666 -4.553 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.798 5.321 -3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.816 6.786 -1.809 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.330 8.218 -2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.223 8.160 -3.907 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.842 6.551 -4.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.976 6.687 -3.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.903 5.592 -2.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.159 7.121 -1.879 1.00 0.00 H new ATOM 137 N LYS A 10 -4.612 8.837 -2.177 1.00 0.00 N ATOM 138 CA LYS A 10 -3.525 9.208 -1.281 1.00 0.00 C ATOM 139 C LYS A 10 -3.828 10.590 -0.735 1.00 0.00 C ATOM 140 O LYS A 10 -3.220 11.058 0.226 1.00 0.00 O ATOM 141 CB LYS A 10 -2.185 9.214 -2.014 1.00 0.00 C ATOM 142 CG LYS A 10 -1.453 7.886 -1.964 1.00 0.00 C ATOM 143 CD LYS A 10 -0.226 7.971 -1.066 1.00 0.00 C ATOM 144 CE LYS A 10 0.441 6.611 -0.894 1.00 0.00 C ATOM 145 NZ LYS A 10 1.678 6.685 -0.070 1.00 0.00 N ATOM 0 H LYS A 10 -4.407 8.977 -3.166 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.449 8.481 -0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.353 9.487 -3.056 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.548 9.986 -1.581 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.124 7.111 -1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.152 7.595 -2.970 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.488 8.676 -1.492 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.515 8.361 -0.090 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.262 5.921 -0.427 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.685 6.203 -1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.410 6.076 -0.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.018 7.667 -0.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.471 6.363 0.897 1.00 0.00 H new ATOM 159 N VAL A 11 -4.807 11.219 -1.369 1.00 0.00 N ATOM 160 CA VAL A 11 -5.277 12.527 -0.996 1.00 0.00 C ATOM 161 C VAL A 11 -6.580 12.348 -0.225 1.00 0.00 C ATOM 162 O VAL A 11 -6.926 13.137 0.656 1.00 0.00 O ATOM 163 CB VAL A 11 -5.498 13.385 -2.272 1.00 0.00 C ATOM 164 CG1 VAL A 11 -6.967 13.664 -2.540 1.00 0.00 C ATOM 165 CG2 VAL A 11 -4.714 14.673 -2.202 1.00 0.00 C ATOM 0 H VAL A 11 -5.299 10.821 -2.169 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.548 13.043 -0.371 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.127 12.797 -3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.064 14.267 -3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.498 12.721 -2.674 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.395 14.204 -1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.887 15.254 -3.108 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.037 15.249 -1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.651 14.448 -2.113 1.00 0.00 H new ATOM 175 N ALA A 12 -7.298 11.287 -0.588 1.00 0.00 N ATOM 176 CA ALA A 12 -8.577 10.963 0.025 1.00 0.00 C ATOM 177 C ALA A 12 -8.431 10.190 1.331 1.00 0.00 C ATOM 178 O ALA A 12 -9.413 10.022 2.052 1.00 0.00 O ATOM 179 CB ALA A 12 -9.444 10.179 -0.941 1.00 0.00 C ATOM 0 H ALA A 12 -7.007 10.632 -1.314 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.055 11.913 0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.397 9.945 -0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.621 10.775 -1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.938 9.253 -1.215 1.00 0.00 H new ATOM 185 N CYS A 13 -7.225 9.725 1.664 1.00 0.00 N ATOM 186 CA CYS A 13 -7.055 9.002 2.921 1.00 0.00 C ATOM 187 C CYS A 13 -7.185 9.960 4.085 1.00 0.00 C ATOM 188 O CYS A 13 -7.393 9.542 5.218 1.00 0.00 O ATOM 189 CB CYS A 13 -5.737 8.227 3.009 1.00 0.00 C ATOM 190 SG CYS A 13 -4.258 9.101 2.423 1.00 0.00 S ATOM 0 H CYS A 13 -6.380 9.831 1.102 1.00 0.00 H new ATOM 0 HA CYS A 13 -7.847 8.254 2.962 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.577 7.939 4.048 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.841 7.306 2.436 1.00 0.00 H new ATOM 195 N ALA A 14 -7.110 11.250 3.792 1.00 0.00 N ATOM 196 CA ALA A 14 -7.275 12.266 4.806 1.00 0.00 C ATOM 197 C ALA A 14 -8.763 12.466 5.054 1.00 0.00 C ATOM 198 O ALA A 14 -9.198 12.838 6.138 1.00 0.00 O ATOM 199 CB ALA A 14 -6.622 13.564 4.373 1.00 0.00 C ATOM 0 H ALA A 14 -6.935 11.613 2.855 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.790 11.948 5.729 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.757 14.316 5.150 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.557 13.399 4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.082 13.911 3.448 1.00 0.00 H new ATOM 205 N ALA A 15 -9.549 12.186 4.033 1.00 0.00 N ATOM 206 CA ALA A 15 -10.985 12.304 4.135 1.00 0.00 C ATOM 207 C ALA A 15 -11.546 11.070 4.803 1.00 0.00 C ATOM 208 O ALA A 15 -12.638 11.083 5.370 1.00 0.00 O ATOM 209 CB ALA A 15 -11.601 12.495 2.760 1.00 0.00 C ATOM 0 H ALA A 15 -9.213 11.874 3.122 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.231 13.178 4.739 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.683 12.582 2.855 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.202 13.402 2.306 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.360 11.638 2.131 1.00 0.00 H new ATOM 215 N ALA A 16 -10.789 9.994 4.714 1.00 0.00 N ATOM 216 CA ALA A 16 -11.194 8.735 5.290 1.00 0.00 C ATOM 217 C ALA A 16 -10.614 8.533 6.687 1.00 0.00 C ATOM 218 O ALA A 16 -11.351 8.265 7.635 1.00 0.00 O ATOM 219 CB ALA A 16 -10.794 7.589 4.372 1.00 0.00 C ATOM 0 H ALA A 16 -9.884 9.971 4.244 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.279 8.750 5.392 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.104 6.643 4.815 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.279 7.712 3.404 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.712 7.590 4.239 1.00 0.00 H new ATOM 225 N ILE A 17 -9.293 8.610 6.803 1.00 0.00 N ATOM 226 CA ILE A 17 -8.636 8.379 8.074 1.00 0.00 C ATOM 227 C ILE A 17 -8.315 9.652 8.871 1.00 0.00 C ATOM 228 O ILE A 17 -8.450 9.646 10.089 1.00 0.00 O ATOM 229 CB ILE A 17 -7.383 7.488 7.891 1.00 0.00 C ATOM 230 CG1 ILE A 17 -7.402 6.416 8.926 1.00 0.00 C ATOM 231 CG2 ILE A 17 -6.071 8.217 8.010 1.00 0.00 C ATOM 232 CD1 ILE A 17 -7.749 6.918 10.281 1.00 0.00 C ATOM 0 H ILE A 17 -8.662 8.830 6.032 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.364 7.847 8.687 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.439 7.100 6.874 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.121 5.650 8.634 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.423 5.937 8.962 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.250 7.514 7.868 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.017 8.996 7.250 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.994 8.669 8.999 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.746 6.089 10.988 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.016 7.663 10.592 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.740 7.371 10.258 1.00 0.00 H new ATOM 244 N ALA A 18 -7.903 10.733 8.234 1.00 0.00 N ATOM 245 CA ALA A 18 -7.606 11.963 8.993 1.00 0.00 C ATOM 246 C ALA A 18 -8.822 12.371 9.826 1.00 0.00 C ATOM 247 O ALA A 18 -8.698 13.009 10.871 1.00 0.00 O ATOM 248 CB ALA A 18 -7.173 13.091 8.082 1.00 0.00 C ATOM 0 H ALA A 18 -7.765 10.799 7.225 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.773 11.753 9.664 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.963 13.980 8.678 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.274 12.797 7.540 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.969 13.311 7.371 1.00 0.00 H new ATOM 254 N GLY A 19 -9.999 11.952 9.368 1.00 0.00 N ATOM 255 CA GLY A 19 -11.227 12.224 10.087 1.00 0.00 C ATOM 256 C GLY A 19 -11.536 11.129 11.102 1.00 0.00 C ATOM 257 O GLY A 19 -12.243 11.363 12.083 1.00 0.00 O ATOM 0 H GLY A 19 -10.122 11.424 8.504 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.145 13.183 10.599 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.052 12.309 9.380 1.00 0.00 H new ATOM 261 N ALA A 20 -10.983 9.934 10.875 1.00 0.00 N ATOM 262 CA ALA A 20 -11.174 8.800 11.781 1.00 0.00 C ATOM 263 C ALA A 20 -10.257 8.923 12.982 1.00 0.00 C ATOM 264 O ALA A 20 -10.661 8.661 14.114 1.00 0.00 O ATOM 265 CB ALA A 20 -10.919 7.474 11.083 1.00 0.00 C ATOM 0 H ALA A 20 -10.396 9.727 10.067 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.213 8.819 12.110 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.071 6.657 11.788 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.609 7.365 10.246 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.894 7.449 10.713 1.00 0.00 H new ATOM 271 N VAL A 21 -9.022 9.341 12.732 1.00 0.00 N ATOM 272 CA VAL A 21 -8.063 9.526 13.810 1.00 0.00 C ATOM 273 C VAL A 21 -8.575 10.632 14.710 1.00 0.00 C ATOM 274 O VAL A 21 -8.508 10.550 15.930 1.00 0.00 O ATOM 275 CB VAL A 21 -6.644 9.882 13.306 1.00 0.00 C ATOM 276 CG1 VAL A 21 -6.092 8.820 12.360 1.00 0.00 C ATOM 277 CG2 VAL A 21 -6.616 11.250 12.656 1.00 0.00 C ATOM 0 H VAL A 21 -8.665 9.556 11.801 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.972 8.581 14.346 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.995 9.910 14.181 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.094 9.110 12.030 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.039 7.863 12.879 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.748 8.728 11.494 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.605 11.469 12.313 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.298 11.263 11.806 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.925 12.003 13.381 1.00 0.00 H new ATOM 287 N ALA A 22 -9.112 11.653 14.059 1.00 0.00 N ATOM 288 CA ALA A 22 -9.692 12.811 14.718 1.00 0.00 C ATOM 289 C ALA A 22 -10.879 12.397 15.576 1.00 0.00 C ATOM 290 O ALA A 22 -11.145 13.002 16.614 1.00 0.00 O ATOM 291 CB ALA A 22 -10.127 13.831 13.680 1.00 0.00 C ATOM 0 H ALA A 22 -9.157 11.700 13.041 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.939 13.260 15.365 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.561 14.697 14.180 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.263 14.145 13.095 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.870 13.384 13.019 1.00 0.00 H new ATOM 297 N ALA A 23 -11.581 11.346 15.144 1.00 0.00 N ATOM 298 CA ALA A 23 -12.725 10.842 15.888 1.00 0.00 C ATOM 299 C ALA A 23 -12.275 10.320 17.243 1.00 0.00 C ATOM 300 O ALA A 23 -13.035 10.333 18.210 1.00 0.00 O ATOM 301 CB ALA A 23 -13.441 9.750 15.108 1.00 0.00 C ATOM 0 H ALA A 23 -11.374 10.834 14.287 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.427 11.662 16.040 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -14.292 9.389 15.685 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.791 10.152 14.157 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.753 8.925 14.922 1.00 0.00 H new ATOM 307 N CYS A 24 -11.024 9.874 17.311 1.00 0.00 N ATOM 308 CA CYS A 24 -10.472 9.369 18.554 1.00 0.00 C ATOM 309 C CYS A 24 -9.641 10.453 19.242 1.00 0.00 C ATOM 310 O CYS A 24 -9.785 10.678 20.444 1.00 0.00 O ATOM 311 CB CYS A 24 -9.624 8.123 18.302 1.00 0.00 C ATOM 312 SG CYS A 24 -9.259 7.163 19.807 1.00 0.00 S ATOM 0 H CYS A 24 -10.379 9.854 16.521 1.00 0.00 H new ATOM 0 HA CYS A 24 -11.296 9.092 19.211 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -10.142 7.481 17.590 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -8.685 8.422 17.837 1.00 0.00 H new ATOM 317 N GLY A 25 -8.779 11.133 18.480 1.00 0.00 N ATOM 318 CA GLY A 25 -7.960 12.181 19.052 1.00 0.00 C ATOM 319 C GLY A 25 -6.512 12.110 18.604 1.00 0.00 C ATOM 320 O GLY A 25 -5.601 12.393 19.382 1.00 0.00 O ATOM 0 H GLY A 25 -8.638 10.973 17.482 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.374 13.151 18.775 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.002 12.116 20.139 1.00 0.00 H new ATOM 324 N GLY A 26 -6.293 11.731 17.351 1.00 0.00 N ATOM 325 CA GLY A 26 -4.939 11.630 16.831 1.00 0.00 C ATOM 326 C GLY A 26 -4.676 10.282 16.201 1.00 0.00 C ATOM 327 O GLY A 26 -5.598 9.478 16.059 1.00 0.00 O ATOM 0 H GLY A 26 -7.027 11.491 16.684 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.775 12.414 16.092 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.227 11.798 17.639 1.00 0.00 H new ATOM 331 N ILE A 27 -3.427 10.024 15.819 1.00 0.00 N ATOM 332 CA ILE A 27 -3.070 8.751 15.201 1.00 0.00 C ATOM 333 C ILE A 27 -3.068 7.607 16.225 1.00 0.00 C ATOM 334 O ILE A 27 -2.028 7.081 16.629 1.00 0.00 O ATOM 335 CB ILE A 27 -1.714 8.832 14.440 1.00 0.00 C ATOM 336 CG1 ILE A 27 -1.885 9.698 13.200 1.00 0.00 C ATOM 337 CG2 ILE A 27 -1.221 7.454 14.003 1.00 0.00 C ATOM 338 CD1 ILE A 27 -2.745 9.031 12.147 1.00 0.00 C ATOM 0 H ILE A 27 -2.650 10.676 15.926 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.841 8.531 14.462 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.979 9.261 15.121 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.334 10.650 13.483 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.905 9.921 12.778 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.272 7.557 13.476 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.082 6.822 14.880 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.956 6.998 13.340 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.837 9.688 11.282 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.283 8.092 11.841 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.735 8.832 12.558 1.00 0.00 H new ATOM 350 N ASP A 28 -4.265 7.186 16.588 1.00 0.00 N ATOM 351 CA ASP A 28 -4.445 6.052 17.469 1.00 0.00 C ATOM 352 C ASP A 28 -4.862 4.963 16.522 1.00 0.00 C ATOM 353 O ASP A 28 -6.046 4.709 16.341 1.00 0.00 O ATOM 354 CB ASP A 28 -5.526 6.283 18.529 1.00 0.00 C ATOM 355 CG ASP A 28 -5.410 5.309 19.679 1.00 0.00 C ATOM 356 OD1 ASP A 28 -4.458 4.508 19.686 1.00 0.00 O ATOM 357 OD2 ASP A 28 -6.264 5.350 20.579 1.00 0.00 O ATOM 0 H ASP A 28 -5.136 7.620 16.281 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.544 5.832 18.042 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.450 7.302 18.908 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.510 6.186 18.070 1.00 0.00 H new ATOM 362 N LEU A 29 -3.871 4.406 15.847 1.00 0.00 N ATOM 363 CA LEU A 29 -4.062 3.420 14.812 1.00 0.00 C ATOM 364 C LEU A 29 -5.089 2.329 15.199 1.00 0.00 C ATOM 365 O LEU A 29 -5.967 2.026 14.390 1.00 0.00 O ATOM 366 CB LEU A 29 -2.647 2.946 14.381 1.00 0.00 C ATOM 367 CG LEU A 29 -2.471 1.969 13.210 1.00 0.00 C ATOM 368 CD1 LEU A 29 -0.986 1.763 12.952 1.00 0.00 C ATOM 369 CD2 LEU A 29 -3.131 0.643 13.464 1.00 0.00 C ATOM 0 H LEU A 29 -2.891 4.636 16.012 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.547 3.837 13.930 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.068 3.839 14.144 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.183 2.487 15.254 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.955 2.406 12.337 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.854 1.070 12.121 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.524 2.719 12.704 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.515 1.353 13.845 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.977 -0.011 12.605 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.696 0.184 14.352 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.200 0.792 13.619 1.00 0.00 H new ATOM 381 N PRO A 30 -5.064 1.754 16.430 1.00 0.00 N ATOM 382 CA PRO A 30 -6.073 0.756 16.825 1.00 0.00 C ATOM 383 C PRO A 30 -7.463 1.374 16.988 1.00 0.00 C ATOM 384 O PRO A 30 -8.481 0.702 16.838 1.00 0.00 O ATOM 385 CB PRO A 30 -5.576 0.248 18.180 1.00 0.00 C ATOM 386 CG PRO A 30 -4.718 1.341 18.719 1.00 0.00 C ATOM 387 CD PRO A 30 -4.112 2.035 17.529 1.00 0.00 C ATOM 0 HA PRO A 30 -6.178 -0.024 16.071 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.409 0.035 18.850 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.011 -0.678 18.070 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.307 2.038 19.316 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.942 0.939 19.371 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.006 3.106 17.702 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.118 1.649 17.305 1.00 0.00 H new ATOM 395 N CYS A 31 -7.486 2.654 17.324 1.00 0.00 N ATOM 396 CA CYS A 31 -8.725 3.386 17.549 1.00 0.00 C ATOM 397 C CYS A 31 -9.388 3.822 16.246 1.00 0.00 C ATOM 398 O CYS A 31 -10.605 3.711 16.087 1.00 0.00 O ATOM 399 CB CYS A 31 -8.430 4.640 18.372 1.00 0.00 C ATOM 400 SG CYS A 31 -9.839 5.277 19.331 1.00 0.00 S ATOM 0 H CYS A 31 -6.645 3.217 17.449 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.404 2.713 18.073 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.611 4.422 19.058 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.083 5.425 17.700 1.00 0.00 H new ATOM 405 N VAL A 32 -8.591 4.378 15.340 1.00 0.00 N ATOM 406 CA VAL A 32 -9.115 4.898 14.081 1.00 0.00 C ATOM 407 C VAL A 32 -9.692 3.816 13.188 1.00 0.00 C ATOM 408 O VAL A 32 -10.679 4.059 12.512 1.00 0.00 O ATOM 409 CB VAL A 32 -8.044 5.682 13.285 1.00 0.00 C ATOM 410 CG1 VAL A 32 -7.109 6.408 14.220 1.00 0.00 C ATOM 411 CG2 VAL A 32 -7.286 4.789 12.330 1.00 0.00 C ATOM 0 H VAL A 32 -7.582 4.480 15.453 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.920 5.574 14.370 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.562 6.425 12.679 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.364 6.952 13.639 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.677 7.110 14.830 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.609 5.687 14.867 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.544 5.379 11.791 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.785 4.000 12.890 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.982 4.344 11.619 1.00 0.00 H new ATOM 421 N LEU A 33 -9.067 2.642 13.139 1.00 0.00 N ATOM 422 CA LEU A 33 -9.535 1.599 12.258 1.00 0.00 C ATOM 423 C LEU A 33 -10.777 0.891 12.783 1.00 0.00 C ATOM 424 O LEU A 33 -11.220 -0.098 12.212 1.00 0.00 O ATOM 425 CB LEU A 33 -8.410 0.623 11.951 1.00 0.00 C ATOM 426 CG LEU A 33 -8.382 0.175 10.496 1.00 0.00 C ATOM 427 CD1 LEU A 33 -6.982 0.261 9.914 1.00 0.00 C ATOM 428 CD2 LEU A 33 -8.929 -1.227 10.396 1.00 0.00 C ATOM 0 H LEU A 33 -8.247 2.400 13.695 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.842 2.074 11.326 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.456 1.089 12.199 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.513 -0.253 12.592 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.009 0.846 9.909 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.999 -0.066 8.874 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.630 1.291 9.964 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.311 -0.380 10.485 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.911 -1.551 9.356 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.317 -1.900 10.997 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.955 -1.244 10.763 1.00 0.00 H new ATOM 440 N ALA A 34 -11.384 1.438 13.825 1.00 0.00 N ATOM 441 CA ALA A 34 -12.623 0.882 14.338 1.00 0.00 C ATOM 442 C ALA A 34 -13.757 1.592 13.621 1.00 0.00 C ATOM 443 O ALA A 34 -14.865 1.082 13.488 1.00 0.00 O ATOM 444 CB ALA A 34 -12.733 1.057 15.847 1.00 0.00 C ATOM 0 H ALA A 34 -11.042 2.258 14.326 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.661 -0.192 14.155 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.673 0.629 16.195 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.900 0.549 16.334 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.704 2.118 16.093 1.00 0.00 H new ATOM 450 N ALA A 35 -13.425 2.775 13.124 1.00 0.00 N ATOM 451 CA ALA A 35 -14.348 3.597 12.368 1.00 0.00 C ATOM 452 C ALA A 35 -13.873 3.681 10.930 1.00 0.00 C ATOM 453 O ALA A 35 -14.672 3.699 9.997 1.00 0.00 O ATOM 454 CB ALA A 35 -14.439 4.987 12.966 1.00 0.00 C ATOM 0 H ALA A 35 -12.500 3.191 13.237 1.00 0.00 H new ATOM 0 HA ALA A 35 -15.340 3.146 12.403 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -15.137 5.589 12.384 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -14.790 4.918 13.995 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -13.455 5.455 12.949 1.00 0.00 H new ATOM 460 N LEU A 36 -12.551 3.718 10.760 1.00 0.00 N ATOM 461 CA LEU A 36 -11.953 3.785 9.446 1.00 0.00 C ATOM 462 C LEU A 36 -12.168 2.506 8.694 1.00 0.00 C ATOM 463 O LEU A 36 -12.073 2.465 7.471 1.00 0.00 O ATOM 464 CB LEU A 36 -10.448 3.983 9.503 1.00 0.00 C ATOM 465 CG LEU A 36 -9.828 3.894 8.120 1.00 0.00 C ATOM 466 CD1 LEU A 36 -10.122 5.137 7.377 1.00 0.00 C ATOM 467 CD2 LEU A 36 -8.357 3.668 8.143 1.00 0.00 C ATOM 0 H LEU A 36 -11.879 3.702 11.527 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.431 4.633 8.955 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.223 4.955 9.943 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.004 3.229 10.152 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.270 3.027 7.629 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.679 5.080 6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.201 5.261 7.287 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.702 5.989 7.912 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.981 3.615 7.121 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.871 4.491 8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.141 2.732 8.658 1.00 0.00 H new ATOM 479 N LYS A 37 -12.399 1.439 9.409 1.00 0.00 N ATOM 480 CA LYS A 37 -12.557 0.183 8.734 1.00 0.00 C ATOM 481 C LYS A 37 -13.783 0.257 7.824 1.00 0.00 C ATOM 482 O LYS A 37 -13.845 -0.387 6.776 1.00 0.00 O ATOM 483 CB LYS A 37 -12.676 -0.973 9.738 1.00 0.00 C ATOM 484 CG LYS A 37 -12.166 -2.318 9.221 1.00 0.00 C ATOM 485 CD LYS A 37 -13.142 -2.970 8.248 1.00 0.00 C ATOM 486 CE LYS A 37 -12.681 -4.360 7.836 1.00 0.00 C ATOM 487 NZ LYS A 37 -11.422 -4.313 7.047 1.00 0.00 N ATOM 0 H LYS A 37 -12.480 1.412 10.425 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.674 -0.014 8.127 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.123 -0.712 10.640 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.722 -1.082 10.025 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.205 -2.174 8.727 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.994 -2.988 10.064 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.127 -3.035 8.710 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.246 -2.344 7.362 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.530 -4.971 8.726 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.461 -4.842 7.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.195 -5.266 6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.542 -3.669 6.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.647 -3.971 7.650 1.00 0.00 H new ATOM 501 N ALA A 38 -14.737 1.095 8.221 1.00 0.00 N ATOM 502 CA ALA A 38 -15.950 1.313 7.451 1.00 0.00 C ATOM 503 C ALA A 38 -15.742 2.411 6.409 1.00 0.00 C ATOM 504 O ALA A 38 -16.707 2.979 5.892 1.00 0.00 O ATOM 505 CB ALA A 38 -17.100 1.676 8.375 1.00 0.00 C ATOM 0 H ALA A 38 -14.688 1.638 9.083 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.195 0.388 6.929 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -18.003 1.837 7.786 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.268 0.864 9.083 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.855 2.588 8.920 1.00 0.00 H new ATOM 511 N ALA A 39 -14.479 2.700 6.096 1.00 0.00 N ATOM 512 CA ALA A 39 -14.144 3.716 5.102 1.00 0.00 C ATOM 513 C ALA A 39 -14.531 3.219 3.718 1.00 0.00 C ATOM 514 O ALA A 39 -14.990 2.084 3.568 1.00 0.00 O ATOM 515 CB ALA A 39 -12.648 4.053 5.138 1.00 0.00 C ATOM 0 H ALA A 39 -13.671 2.243 6.518 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.700 4.624 5.335 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.428 4.812 4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.384 4.432 6.125 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.068 3.155 4.927 1.00 0.00 H new ATOM 521 N GLU A 40 -14.329 4.043 2.700 1.00 0.00 N ATOM 522 CA GLU A 40 -14.649 3.636 1.339 1.00 0.00 C ATOM 523 C GLU A 40 -13.547 2.736 0.776 1.00 0.00 C ATOM 524 O GLU A 40 -13.462 2.505 -0.433 1.00 0.00 O ATOM 525 CB GLU A 40 -14.879 4.856 0.443 1.00 0.00 C ATOM 526 CG GLU A 40 -13.769 5.889 0.493 1.00 0.00 C ATOM 527 CD GLU A 40 -14.032 7.057 -0.429 1.00 0.00 C ATOM 528 OE1 GLU A 40 -15.129 7.113 -1.026 1.00 0.00 O ATOM 529 OE2 GLU A 40 -13.137 7.911 -0.570 1.00 0.00 O ATOM 0 H GLU A 40 -13.950 4.986 2.788 1.00 0.00 H new ATOM 0 HA GLU A 40 -15.576 3.063 1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -14.998 4.518 -0.586 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -15.816 5.333 0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.660 6.253 1.515 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.825 5.418 0.219 1.00 0.00 H new ATOM 536 N GLY A 41 -12.717 2.214 1.674 1.00 0.00 N ATOM 537 CA GLY A 41 -11.651 1.326 1.281 1.00 0.00 C ATOM 538 C GLY A 41 -10.320 2.017 1.092 1.00 0.00 C ATOM 539 O GLY A 41 -9.854 2.155 -0.038 1.00 0.00 O ATOM 0 H GLY A 41 -12.770 2.396 2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.542 0.548 2.036 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.928 0.830 0.351 1.00 0.00 H new ATOM 543 N CYS A 42 -9.675 2.423 2.184 1.00 0.00 N ATOM 544 CA CYS A 42 -8.375 3.044 2.078 1.00 0.00 C ATOM 545 C CYS A 42 -7.493 2.412 3.131 1.00 0.00 C ATOM 546 O CYS A 42 -6.833 1.423 2.847 1.00 0.00 O ATOM 547 CB CYS A 42 -8.452 4.555 2.264 1.00 0.00 C ATOM 548 SG CYS A 42 -7.207 5.490 1.308 1.00 0.00 S ATOM 0 H CYS A 42 -10.032 2.331 3.135 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.965 2.884 1.081 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.446 4.895 1.975 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.331 4.786 3.322 1.00 0.00 H new ATOM 553 N ALA A 43 -7.573 2.941 4.361 1.00 0.00 N ATOM 554 CA ALA A 43 -6.864 2.429 5.533 1.00 0.00 C ATOM 555 C ALA A 43 -5.351 2.275 5.385 1.00 0.00 C ATOM 556 O ALA A 43 -4.609 2.781 6.213 1.00 0.00 O ATOM 557 CB ALA A 43 -7.504 1.140 5.932 1.00 0.00 C ATOM 0 H ALA A 43 -8.148 3.757 4.569 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.959 3.186 6.311 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.993 0.735 6.806 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.553 1.314 6.173 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.434 0.429 5.109 1.00 0.00 H new ATOM 563 N SER A 44 -4.899 1.579 4.358 1.00 0.00 N ATOM 564 CA SER A 44 -3.480 1.374 4.130 1.00 0.00 C ATOM 565 C SER A 44 -2.751 2.713 4.043 1.00 0.00 C ATOM 566 O SER A 44 -1.618 2.815 4.477 1.00 0.00 O ATOM 567 CB SER A 44 -3.266 0.546 2.861 1.00 0.00 C ATOM 568 OG SER A 44 -1.889 0.361 2.578 1.00 0.00 O ATOM 0 H SER A 44 -5.502 1.142 3.661 1.00 0.00 H new ATOM 0 HA SER A 44 -3.064 0.823 4.973 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.747 -0.425 2.976 1.00 0.00 H new ATOM 0 HB3 SER A 44 -3.747 1.042 2.018 1.00 0.00 H new ATOM 0 HG SER A 44 -1.792 -0.173 1.762 1.00 0.00 H new ATOM 574 N CYS A 45 -3.425 3.749 3.525 1.00 0.00 N ATOM 575 CA CYS A 45 -2.813 5.088 3.444 1.00 0.00 C ATOM 576 C CYS A 45 -2.515 5.562 4.848 1.00 0.00 C ATOM 577 O CYS A 45 -1.468 6.145 5.124 1.00 0.00 O ATOM 578 CB CYS A 45 -3.745 6.100 2.773 1.00 0.00 C ATOM 579 SG CYS A 45 -2.908 7.601 2.145 1.00 0.00 S ATOM 0 H CYS A 45 -4.376 3.692 3.161 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.905 5.015 2.845 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.256 5.610 1.944 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.512 6.399 3.488 1.00 0.00 H new ATOM 584 N PHE A 46 -3.451 5.254 5.734 1.00 0.00 N ATOM 585 CA PHE A 46 -3.330 5.573 7.135 1.00 0.00 C ATOM 586 C PHE A 46 -2.145 4.810 7.691 1.00 0.00 C ATOM 587 O PHE A 46 -1.134 5.411 8.043 1.00 0.00 O ATOM 588 CB PHE A 46 -4.641 5.213 7.850 1.00 0.00 C ATOM 589 CG PHE A 46 -4.526 4.790 9.286 1.00 0.00 C ATOM 590 CD1 PHE A 46 -4.352 5.692 10.338 1.00 0.00 C ATOM 591 CD2 PHE A 46 -4.627 3.451 9.585 1.00 0.00 C ATOM 592 CE1 PHE A 46 -4.282 5.251 11.611 1.00 0.00 C ATOM 593 CE2 PHE A 46 -4.550 3.012 10.866 1.00 0.00 C ATOM 594 CZ PHE A 46 -4.386 3.910 11.880 1.00 0.00 C ATOM 0 H PHE A 46 -4.317 4.773 5.492 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.158 6.638 7.290 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.305 6.076 7.801 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.123 4.408 7.295 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.273 6.749 10.131 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -4.770 2.738 8.787 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.144 5.954 12.419 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.618 1.956 11.082 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.338 3.563 12.901 1.00 0.00 H new ATOM 604 N CYS A 47 -2.242 3.484 7.752 1.00 0.00 N ATOM 605 CA CYS A 47 -1.126 2.716 8.266 1.00 0.00 C ATOM 606 C CYS A 47 -0.120 2.360 7.179 1.00 0.00 C ATOM 607 O CYS A 47 -0.069 1.221 6.719 1.00 0.00 O ATOM 608 CB CYS A 47 -1.581 1.448 8.970 1.00 0.00 C ATOM 609 SG CYS A 47 -0.226 0.601 9.837 1.00 0.00 S ATOM 0 H CYS A 47 -3.054 2.940 7.462 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.634 3.362 8.993 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.365 1.696 9.685 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.019 0.769 8.239 1.00 0.00 H new ATOM 614 N GLU A 48 0.706 3.330 6.809 1.00 0.00 N ATOM 615 CA GLU A 48 1.760 3.115 5.827 1.00 0.00 C ATOM 616 C GLU A 48 3.097 3.381 6.487 1.00 0.00 C ATOM 617 O GLU A 48 3.969 2.515 6.522 1.00 0.00 O ATOM 618 CB GLU A 48 1.611 4.016 4.598 1.00 0.00 C ATOM 619 CG GLU A 48 1.011 3.314 3.396 1.00 0.00 C ATOM 620 CD GLU A 48 1.238 4.070 2.112 1.00 0.00 C ATOM 621 OE1 GLU A 48 0.850 5.249 2.041 1.00 0.00 O ATOM 622 OE2 GLU A 48 1.809 3.484 1.175 1.00 0.00 O ATOM 0 H GLU A 48 0.665 4.280 7.178 1.00 0.00 H new ATOM 0 HA GLU A 48 1.690 2.084 5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.986 4.870 4.858 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.591 4.409 4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.444 2.317 3.308 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.060 3.184 3.553 1.00 0.00 H new ATOM 629 N ASP A 49 3.245 4.583 7.031 1.00 0.00 N ATOM 630 CA ASP A 49 4.474 4.953 7.711 1.00 0.00 C ATOM 631 C ASP A 49 4.498 4.326 9.096 1.00 0.00 C ATOM 632 O ASP A 49 5.498 3.743 9.507 1.00 0.00 O ATOM 633 CB ASP A 49 4.614 6.470 7.812 1.00 0.00 C ATOM 634 CG ASP A 49 6.036 6.887 8.107 1.00 0.00 C ATOM 635 OD1 ASP A 49 6.547 6.546 9.191 1.00 0.00 O ATOM 636 OD2 ASP A 49 6.648 7.545 7.246 1.00 0.00 O ATOM 0 H ASP A 49 2.532 5.312 7.013 1.00 0.00 H new ATOM 0 HA ASP A 49 5.317 4.580 7.130 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.288 6.927 6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.956 6.844 8.597 1.00 0.00 H new ATOM 641 N HIS A 50 3.379 4.417 9.812 1.00 0.00 N ATOM 642 CA HIS A 50 3.291 3.821 11.140 1.00 0.00 C ATOM 643 C HIS A 50 2.793 2.383 11.055 1.00 0.00 C ATOM 644 O HIS A 50 1.939 1.958 11.831 1.00 0.00 O ATOM 645 CB HIS A 50 2.419 4.652 12.098 1.00 0.00 C ATOM 646 CG HIS A 50 1.133 5.162 11.526 1.00 0.00 C ATOM 647 ND1 HIS A 50 0.006 4.386 11.362 1.00 0.00 N ATOM 648 CD2 HIS A 50 0.797 6.401 11.102 1.00 0.00 C ATOM 649 CE1 HIS A 50 -0.964 5.128 10.869 1.00 0.00 C ATOM 650 NE2 HIS A 50 -0.511 6.359 10.700 1.00 0.00 N ATOM 0 H HIS A 50 2.532 4.891 9.499 1.00 0.00 H new ATOM 0 HA HIS A 50 4.298 3.815 11.556 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.190 4.043 12.973 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.004 5.503 12.446 1.00 0.00 H new ATOM 0 HD2 HIS A 50 1.443 7.266 11.084 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.963 4.788 10.641 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -1.046 7.145 10.332 1.00 0.00 H new ATOM 659 N CYS A 51 3.358 1.640 10.113 1.00 0.00 N ATOM 660 CA CYS A 51 3.021 0.233 9.905 1.00 0.00 C ATOM 661 C CYS A 51 3.613 -0.632 11.016 1.00 0.00 C ATOM 662 O CYS A 51 4.606 -1.332 10.809 1.00 0.00 O ATOM 663 CB CYS A 51 3.542 -0.243 8.544 1.00 0.00 C ATOM 664 SG CYS A 51 2.264 -0.389 7.266 1.00 0.00 S ATOM 0 H CYS A 51 4.065 1.994 9.469 1.00 0.00 H new ATOM 0 HA CYS A 51 1.936 0.136 9.925 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.308 0.451 8.198 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.024 -1.212 8.671 1.00 0.00 H new ATOM 669 N HIS A 52 3.006 -0.565 12.197 1.00 0.00 N ATOM 670 CA HIS A 52 3.469 -1.321 13.356 1.00 0.00 C ATOM 671 C HIS A 52 2.398 -1.318 14.442 1.00 0.00 C ATOM 672 O HIS A 52 1.288 -0.822 14.225 1.00 0.00 O ATOM 673 CB HIS A 52 4.771 -0.703 13.901 1.00 0.00 C ATOM 674 CG HIS A 52 4.581 0.630 14.574 1.00 0.00 C ATOM 675 ND1 HIS A 52 3.828 1.650 14.031 1.00 0.00 N ATOM 676 CD2 HIS A 52 5.039 1.097 15.759 1.00 0.00 C ATOM 677 CE1 HIS A 52 3.828 2.684 14.852 1.00 0.00 C ATOM 678 NE2 HIS A 52 4.556 2.375 15.910 1.00 0.00 N ATOM 0 H HIS A 52 2.184 0.011 12.377 1.00 0.00 H new ATOM 0 HA HIS A 52 3.664 -2.350 13.053 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.221 -1.396 14.612 1.00 0.00 H new ATOM 0 HB3 HIS A 52 5.477 -0.586 13.079 1.00 0.00 H new ATOM 0 HD2 HIS A 52 5.668 0.564 16.457 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.320 3.622 14.687 1.00 0.00 H new ATOM 0 HE2 HIS A 52 4.731 2.985 16.708 1.00 0.00 H new ATOM 687 N GLY A 53 2.744 -1.843 15.610 1.00 0.00 N ATOM 688 CA GLY A 53 1.819 -1.867 16.725 1.00 0.00 C ATOM 689 C GLY A 53 0.619 -2.760 16.498 1.00 0.00 C ATOM 690 O GLY A 53 0.746 -3.983 16.435 1.00 0.00 O ATOM 0 H GLY A 53 3.656 -2.256 15.805 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.347 -2.203 17.617 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.474 -0.852 16.922 1.00 0.00 H new ATOM 694 N VAL A 54 -0.554 -2.152 16.388 1.00 0.00 N ATOM 695 CA VAL A 54 -1.774 -2.896 16.194 1.00 0.00 C ATOM 696 C VAL A 54 -2.099 -3.036 14.712 1.00 0.00 C ATOM 697 O VAL A 54 -3.067 -3.692 14.348 1.00 0.00 O ATOM 698 CB VAL A 54 -2.935 -2.216 16.936 1.00 0.00 C ATOM 699 CG1 VAL A 54 -3.435 -1.034 16.143 1.00 0.00 C ATOM 700 CG2 VAL A 54 -4.063 -3.195 17.219 1.00 0.00 C ATOM 0 H VAL A 54 -0.678 -1.141 16.431 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.632 -3.896 16.604 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.563 -1.862 17.897 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.258 -0.559 16.677 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.626 -0.316 16.011 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.783 -1.372 15.167 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.868 -2.681 17.745 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.442 -3.595 16.279 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.690 -4.012 17.837 1.00 0.00 H new ATOM 710 N CYS A 55 -1.265 -2.450 13.853 1.00 0.00 N ATOM 711 CA CYS A 55 -1.458 -2.551 12.403 1.00 0.00 C ATOM 712 C CYS A 55 -1.388 -4.019 11.995 1.00 0.00 C ATOM 713 O CYS A 55 -1.840 -4.415 10.920 1.00 0.00 O ATOM 714 CB CYS A 55 -0.383 -1.763 11.670 1.00 0.00 C ATOM 715 SG CYS A 55 -0.824 -1.327 9.961 1.00 0.00 S ATOM 0 H CYS A 55 -0.452 -1.902 14.133 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.431 -2.138 12.139 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -0.175 -0.849 12.225 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.538 -2.346 11.660 1.00 0.00 H new ATOM 720 N LYS A 56 -0.842 -4.819 12.902 1.00 0.00 N ATOM 721 CA LYS A 56 -0.724 -6.248 12.714 1.00 0.00 C ATOM 722 C LYS A 56 -2.092 -6.887 12.936 1.00 0.00 C ATOM 723 O LYS A 56 -2.431 -7.896 12.316 1.00 0.00 O ATOM 724 CB LYS A 56 0.294 -6.809 13.714 1.00 0.00 C ATOM 725 CG LYS A 56 0.697 -8.250 13.461 1.00 0.00 C ATOM 726 CD LYS A 56 2.092 -8.339 12.871 1.00 0.00 C ATOM 727 CE LYS A 56 2.566 -9.780 12.815 1.00 0.00 C ATOM 728 NZ LYS A 56 2.453 -10.452 14.137 1.00 0.00 N ATOM 0 H LYS A 56 -0.469 -4.487 13.791 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.382 -6.470 11.703 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.188 -6.186 13.691 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.122 -6.733 14.718 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.659 -8.809 14.396 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.017 -8.715 12.782 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.095 -7.912 11.868 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.783 -7.748 13.471 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.978 -10.327 12.078 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.603 -9.808 12.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.233 -11.130 14.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.502 -9.740 14.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.545 -10.956 14.194 1.00 0.00 H new ATOM 742 N ASP A 57 -2.874 -6.276 13.830 1.00 0.00 N ATOM 743 CA ASP A 57 -4.212 -6.763 14.152 1.00 0.00 C ATOM 744 C ASP A 57 -5.219 -6.393 13.070 1.00 0.00 C ATOM 745 O ASP A 57 -5.903 -7.267 12.537 1.00 0.00 O ATOM 746 CB ASP A 57 -4.697 -6.196 15.484 1.00 0.00 C ATOM 747 CG ASP A 57 -5.560 -7.185 16.235 1.00 0.00 C ATOM 748 OD1 ASP A 57 -5.766 -8.302 15.722 1.00 0.00 O ATOM 749 OD2 ASP A 57 -6.027 -6.847 17.337 1.00 0.00 O ATOM 0 H ASP A 57 -2.599 -5.439 14.344 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.141 -7.849 14.219 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.838 -5.924 16.097 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.263 -5.282 15.305 1.00 0.00 H new ATOM 754 N LEU A 58 -5.334 -5.094 12.753 1.00 0.00 N ATOM 755 CA LEU A 58 -6.295 -4.669 11.739 1.00 0.00 C ATOM 756 C LEU A 58 -5.879 -5.140 10.338 1.00 0.00 C ATOM 757 O LEU A 58 -6.712 -5.232 9.440 1.00 0.00 O ATOM 758 CB LEU A 58 -6.626 -3.150 11.799 1.00 0.00 C ATOM 759 CG LEU A 58 -5.495 -2.107 11.876 1.00 0.00 C ATOM 760 CD1 LEU A 58 -5.044 -1.904 13.306 1.00 0.00 C ATOM 761 CD2 LEU A 58 -4.331 -2.468 10.988 1.00 0.00 C ATOM 0 H LEU A 58 -4.788 -4.343 13.174 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.236 -5.166 11.975 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.221 -2.915 10.916 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.267 -2.994 12.667 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.900 -1.164 11.507 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.245 -1.163 13.334 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.884 -1.554 13.906 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.678 -2.848 13.709 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.557 -1.705 11.074 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.925 -3.432 11.294 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.668 -2.528 9.953 1.00 0.00 H new ATOM 773 N HIS A 59 -4.598 -5.491 10.196 1.00 0.00 N ATOM 774 CA HIS A 59 -4.035 -6.030 8.952 1.00 0.00 C ATOM 775 C HIS A 59 -4.167 -5.078 7.762 1.00 0.00 C ATOM 776 O HIS A 59 -5.144 -5.136 7.009 1.00 0.00 O ATOM 777 CB HIS A 59 -4.704 -7.372 8.632 1.00 0.00 C ATOM 778 CG HIS A 59 -3.981 -8.202 7.619 1.00 0.00 C ATOM 779 ND1 HIS A 59 -2.654 -8.560 7.742 1.00 0.00 N ATOM 780 CD2 HIS A 59 -4.421 -8.779 6.478 1.00 0.00 C ATOM 781 CE1 HIS A 59 -2.313 -9.326 6.719 1.00 0.00 C ATOM 782 NE2 HIS A 59 -3.367 -9.473 5.938 1.00 0.00 N ATOM 0 H HIS A 59 -3.914 -5.409 10.948 1.00 0.00 H new ATOM 0 HA HIS A 59 -2.966 -6.165 9.116 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -4.796 -7.946 9.554 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -5.715 -7.182 8.272 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -5.417 -8.707 6.068 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.337 -9.758 6.551 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -3.394 -10.014 5.074 1.00 0.00 H new ATOM 791 N LEU A 60 -3.165 -4.218 7.583 1.00 0.00 N ATOM 792 CA LEU A 60 -3.158 -3.276 6.467 1.00 0.00 C ATOM 793 C LEU A 60 -1.967 -3.516 5.552 1.00 0.00 C ATOM 794 O LEU A 60 -2.103 -3.515 4.328 1.00 0.00 O ATOM 795 CB LEU A 60 -3.113 -1.834 6.964 1.00 0.00 C ATOM 796 CG LEU A 60 -4.282 -1.411 7.842 1.00 0.00 C ATOM 797 CD1 LEU A 60 -4.345 0.089 7.938 1.00 0.00 C ATOM 798 CD2 LEU A 60 -5.593 -1.963 7.319 1.00 0.00 C ATOM 0 H LEU A 60 -2.351 -4.155 8.194 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.080 -3.438 5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.189 -1.689 7.523 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.070 -1.171 6.100 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.121 -1.823 8.838 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.186 0.378 8.569 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.419 0.465 8.373 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.476 0.512 6.942 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.408 -1.643 7.969 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.767 -1.592 6.309 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.549 -3.052 7.303 1.00 0.00 H new ATOM 810 N CYS A 61 -0.796 -3.696 6.150 1.00 0.00 N ATOM 811 CA CYS A 61 0.426 -3.912 5.391 1.00 0.00 C ATOM 812 C CYS A 61 1.129 -5.189 5.842 1.00 0.00 C ATOM 813 O CYS A 61 0.469 -6.044 6.466 1.00 0.00 O ATOM 814 CB CYS A 61 1.360 -2.711 5.558 1.00 0.00 C ATOM 815 SG CYS A 61 1.800 -2.361 7.289 1.00 0.00 S ATOM 816 OXT CYS A 61 2.337 -5.330 5.567 1.00 0.00 O ATOM 0 H CYS A 61 -0.668 -3.696 7.162 1.00 0.00 H new ATOM 0 HA CYS A 61 0.164 -4.021 4.339 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.273 -2.890 4.990 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.884 -1.830 5.128 1.00 0.00 H new TER 821 CYS A 61