USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=6 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+ -111:sc= 0.0645 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.397) USER MOD Single : A 6 SER OG : rot 64:sc= -0.526 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -132:sc= 0.814 (180deg=-1.99!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -134:sc= 0.133 USER MOD Single : A 50 HIS : no HD1:sc= -7.99! C(o=-8!,f=-9.6!) USER MOD Single : A 52 HIS : no HE2:sc= -0.766 K(o=-0.77,f=-4.1!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.0561 X(o=-0.056,f=-0.043) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.262 -4.173 -4.710 1.00 0.00 N ATOM 2 CA ALA A 1 -0.433 -2.870 -4.855 1.00 0.00 C ATOM 3 C ALA A 1 -0.272 -2.040 -3.592 1.00 0.00 C ATOM 4 O ALA A 1 -0.031 -2.578 -2.512 1.00 0.00 O ATOM 5 CB ALA A 1 -1.909 -3.077 -5.161 1.00 0.00 C ATOM 0 H1 ALA A 1 1.088 -4.198 -5.341 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.575 -4.292 -3.725 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.389 -4.944 -4.962 1.00 0.00 H new ATOM 0 HA ALA A 1 0.020 -2.334 -5.689 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.399 -2.109 -5.263 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.013 -3.636 -6.091 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.374 -3.635 -4.348 1.00 0.00 H new ATOM 13 N MET A 2 -0.412 -0.728 -3.729 1.00 0.00 N ATOM 14 CA MET A 2 -0.285 0.176 -2.595 1.00 0.00 C ATOM 15 C MET A 2 -1.563 0.177 -1.759 1.00 0.00 C ATOM 16 O MET A 2 -1.653 -0.492 -0.731 1.00 0.00 O ATOM 17 CB MET A 2 0.021 1.599 -3.081 1.00 0.00 C ATOM 18 CG MET A 2 1.328 1.733 -3.846 1.00 0.00 C ATOM 19 SD MET A 2 2.769 1.387 -2.818 1.00 0.00 S ATOM 20 CE MET A 2 4.094 1.803 -3.948 1.00 0.00 C ATOM 0 H MET A 2 -0.614 -0.266 -4.616 1.00 0.00 H new ATOM 0 HA MET A 2 0.539 -0.173 -1.972 1.00 0.00 H new ATOM 0 HB2 MET A 2 -0.796 1.936 -3.719 1.00 0.00 H new ATOM 0 HB3 MET A 2 0.048 2.266 -2.220 1.00 0.00 H new ATOM 0 HG2 MET A 2 1.320 1.050 -4.696 1.00 0.00 H new ATOM 0 HG3 MET A 2 1.407 2.743 -4.249 1.00 0.00 H new ATOM 0 HE1 MET A 2 5.054 1.641 -3.458 1.00 0.00 H new ATOM 0 HE2 MET A 2 4.028 1.172 -4.834 1.00 0.00 H new ATOM 0 HE3 MET A 2 4.008 2.849 -4.241 1.00 0.00 H new ATOM 30 N GLY A 3 -2.545 0.936 -2.213 1.00 0.00 N ATOM 31 CA GLY A 3 -3.808 1.036 -1.511 1.00 0.00 C ATOM 32 C GLY A 3 -4.905 1.517 -2.415 1.00 0.00 C ATOM 33 O GLY A 3 -4.659 1.843 -3.574 1.00 0.00 O ATOM 0 H GLY A 3 -2.490 1.492 -3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.075 0.062 -1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.704 1.720 -0.669 1.00 0.00 H new ATOM 37 N LYS A 4 -6.110 1.608 -1.870 1.00 0.00 N ATOM 38 CA LYS A 4 -7.253 2.116 -2.613 1.00 0.00 C ATOM 39 C LYS A 4 -7.094 3.626 -2.729 1.00 0.00 C ATOM 40 O LYS A 4 -7.939 4.346 -3.261 1.00 0.00 O ATOM 41 CB LYS A 4 -8.549 1.779 -1.864 1.00 0.00 C ATOM 42 CG LYS A 4 -9.809 2.111 -2.655 1.00 0.00 C ATOM 43 CD LYS A 4 -11.060 1.563 -1.994 1.00 0.00 C ATOM 44 CE LYS A 4 -12.306 2.300 -2.464 1.00 0.00 C ATOM 45 NZ LYS A 4 -12.246 2.652 -3.907 1.00 0.00 N ATOM 0 H LYS A 4 -6.321 1.335 -0.910 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.302 1.662 -3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.552 0.717 -1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.567 2.324 -0.920 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.898 3.193 -2.757 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.723 1.702 -3.662 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.157 0.501 -2.220 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.970 1.652 -0.911 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.183 1.679 -2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.430 3.209 -1.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.198 2.900 -4.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.610 3.464 -4.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.888 1.839 -4.448 1.00 0.00 H new ATOM 59 N CYS A 5 -5.993 4.080 -2.165 1.00 0.00 N ATOM 60 CA CYS A 5 -5.642 5.470 -2.096 1.00 0.00 C ATOM 61 C CYS A 5 -4.170 5.680 -2.486 1.00 0.00 C ATOM 62 O CYS A 5 -3.328 5.882 -1.615 1.00 0.00 O ATOM 63 CB CYS A 5 -5.879 5.881 -0.651 1.00 0.00 C ATOM 64 SG CYS A 5 -7.639 5.816 -0.144 1.00 0.00 S ATOM 0 H CYS A 5 -5.302 3.467 -1.731 1.00 0.00 H new ATOM 0 HA CYS A 5 -6.236 6.068 -2.787 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.298 5.230 0.002 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -5.506 6.895 -0.505 1.00 0.00 H new ATOM 69 N SER A 6 -3.859 5.604 -3.786 1.00 0.00 N ATOM 70 CA SER A 6 -2.481 5.760 -4.261 1.00 0.00 C ATOM 71 C SER A 6 -2.213 7.140 -4.872 1.00 0.00 C ATOM 72 O SER A 6 -3.097 7.735 -5.461 1.00 0.00 O ATOM 73 CB SER A 6 -2.150 4.669 -5.281 1.00 0.00 C ATOM 74 OG SER A 6 -2.280 3.381 -4.701 1.00 0.00 O ATOM 0 H SER A 6 -4.542 5.436 -4.525 1.00 0.00 H new ATOM 0 HA SER A 6 -1.835 5.665 -3.388 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.815 4.755 -6.140 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.133 4.806 -5.650 1.00 0.00 H new ATOM 0 HG SER A 6 -3.215 3.228 -4.450 1.00 0.00 H new ATOM 80 N VAL A 7 -0.952 7.582 -4.721 1.00 0.00 N ATOM 81 CA VAL A 7 -0.371 8.849 -5.194 1.00 0.00 C ATOM 82 C VAL A 7 -1.278 10.060 -5.030 1.00 0.00 C ATOM 83 O VAL A 7 -1.073 10.904 -4.158 1.00 0.00 O ATOM 84 CB VAL A 7 0.160 8.734 -6.655 1.00 0.00 C ATOM 85 CG1 VAL A 7 -0.846 8.082 -7.589 1.00 0.00 C ATOM 86 CG2 VAL A 7 0.588 10.089 -7.198 1.00 0.00 C ATOM 0 H VAL A 7 -0.260 7.019 -4.227 1.00 0.00 H new ATOM 0 HA VAL A 7 0.476 9.030 -4.532 1.00 0.00 H new ATOM 0 HB VAL A 7 1.035 8.085 -6.613 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.427 8.026 -8.594 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.073 7.077 -7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.760 8.675 -7.610 1.00 0.00 H new ATOM 0 HG21 VAL A 7 0.953 9.973 -8.218 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.264 10.769 -7.192 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.382 10.497 -6.573 1.00 0.00 H new ATOM 96 N LEU A 8 -2.255 10.124 -5.872 1.00 0.00 N ATOM 97 CA LEU A 8 -3.219 11.228 -5.871 1.00 0.00 C ATOM 98 C LEU A 8 -4.362 10.936 -4.915 1.00 0.00 C ATOM 99 O LEU A 8 -4.979 11.846 -4.364 1.00 0.00 O ATOM 100 CB LEU A 8 -3.694 11.557 -7.310 1.00 0.00 C ATOM 101 CG LEU A 8 -4.708 10.625 -8.019 1.00 0.00 C ATOM 102 CD1 LEU A 8 -4.306 9.160 -7.942 1.00 0.00 C ATOM 103 CD2 LEU A 8 -6.123 10.837 -7.495 1.00 0.00 C ATOM 0 H LEU A 8 -2.427 9.421 -6.591 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.726 12.128 -5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.131 12.555 -7.288 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.807 11.611 -7.941 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.696 10.900 -9.074 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.051 8.551 -8.454 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.335 9.024 -8.419 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.243 8.854 -6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.808 10.167 -8.015 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.150 10.626 -6.426 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.424 11.870 -7.669 1.00 0.00 H new ATOM 115 N LYS A 9 -4.604 9.664 -4.680 1.00 0.00 N ATOM 116 CA LYS A 9 -5.615 9.247 -3.757 1.00 0.00 C ATOM 117 C LYS A 9 -4.977 9.139 -2.372 1.00 0.00 C ATOM 118 O LYS A 9 -5.648 8.878 -1.379 1.00 0.00 O ATOM 119 CB LYS A 9 -6.242 7.939 -4.233 1.00 0.00 C ATOM 120 CG LYS A 9 -6.877 8.064 -5.609 1.00 0.00 C ATOM 121 CD LYS A 9 -7.377 6.736 -6.148 1.00 0.00 C ATOM 122 CE LYS A 9 -8.800 6.449 -5.695 1.00 0.00 C ATOM 123 NZ LYS A 9 -9.544 5.625 -6.691 1.00 0.00 N ATOM 0 H LYS A 9 -4.101 8.898 -5.127 1.00 0.00 H new ATOM 0 HA LYS A 9 -6.427 9.972 -3.699 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.478 7.162 -4.258 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.998 7.620 -3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.709 8.767 -5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.149 8.482 -6.304 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.336 6.746 -7.237 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.719 5.935 -5.812 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.778 5.929 -4.737 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.327 7.390 -5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.509 5.451 -6.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.587 6.132 -7.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.055 4.717 -6.825 1.00 0.00 H new ATOM 137 N LYS A 10 -3.663 9.430 -2.323 1.00 0.00 N ATOM 138 CA LYS A 10 -2.905 9.462 -1.066 1.00 0.00 C ATOM 139 C LYS A 10 -3.276 10.740 -0.328 1.00 0.00 C ATOM 140 O LYS A 10 -2.939 10.946 0.834 1.00 0.00 O ATOM 141 CB LYS A 10 -1.391 9.453 -1.323 1.00 0.00 C ATOM 142 CG LYS A 10 -0.822 8.088 -1.674 1.00 0.00 C ATOM 143 CD LYS A 10 -0.648 7.209 -0.444 1.00 0.00 C ATOM 144 CE LYS A 10 0.488 7.687 0.448 1.00 0.00 C ATOM 145 NZ LYS A 10 0.688 6.786 1.616 1.00 0.00 N ATOM 0 H LYS A 10 -3.105 9.647 -3.148 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.151 8.577 -0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.168 10.146 -2.135 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.882 9.828 -0.435 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.483 7.591 -2.384 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.141 8.213 -2.169 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.576 7.198 0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.455 6.183 -0.757 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.409 7.740 -0.133 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.275 8.696 0.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.755 7.354 2.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.117 6.131 1.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.566 6.243 1.489 1.00 0.00 H new ATOM 159 N VAL A 11 -3.987 11.581 -1.051 1.00 0.00 N ATOM 160 CA VAL A 11 -4.463 12.845 -0.560 1.00 0.00 C ATOM 161 C VAL A 11 -5.881 12.660 -0.025 1.00 0.00 C ATOM 162 O VAL A 11 -6.376 13.440 0.790 1.00 0.00 O ATOM 163 CB VAL A 11 -4.424 13.856 -1.734 1.00 0.00 C ATOM 164 CG1 VAL A 11 -5.809 14.257 -2.210 1.00 0.00 C ATOM 165 CG2 VAL A 11 -3.597 15.067 -1.379 1.00 0.00 C ATOM 0 H VAL A 11 -4.253 11.394 -2.018 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.842 13.223 0.252 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.945 13.346 -2.570 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.720 14.966 -3.033 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.347 13.372 -2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.356 14.721 -1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.587 15.760 -2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.029 15.560 -0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.577 14.757 -1.152 1.00 0.00 H new ATOM 175 N ALA A 12 -6.516 11.602 -0.515 1.00 0.00 N ATOM 176 CA ALA A 12 -7.882 11.257 -0.143 1.00 0.00 C ATOM 177 C ALA A 12 -7.958 10.351 1.086 1.00 0.00 C ATOM 178 O ALA A 12 -9.042 10.141 1.623 1.00 0.00 O ATOM 179 CB ALA A 12 -8.588 10.591 -1.313 1.00 0.00 C ATOM 0 H ALA A 12 -6.096 10.957 -1.184 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.380 12.191 0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.608 10.337 -1.025 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.610 11.275 -2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.053 9.683 -1.592 1.00 0.00 H new ATOM 185 N CYS A 13 -6.828 9.804 1.545 1.00 0.00 N ATOM 186 CA CYS A 13 -6.856 8.934 2.722 1.00 0.00 C ATOM 187 C CYS A 13 -7.288 9.722 3.932 1.00 0.00 C ATOM 188 O CYS A 13 -7.870 9.176 4.857 1.00 0.00 O ATOM 189 CB CYS A 13 -5.502 8.294 2.995 1.00 0.00 C ATOM 190 SG CYS A 13 -4.358 8.412 1.591 1.00 0.00 S ATOM 0 H CYS A 13 -5.906 9.943 1.132 1.00 0.00 H new ATOM 0 HA CYS A 13 -7.569 8.135 2.518 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.050 8.772 3.864 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.648 7.244 3.249 1.00 0.00 H new ATOM 195 N ALA A 14 -7.021 11.019 3.908 1.00 0.00 N ATOM 196 CA ALA A 14 -7.409 11.889 4.994 1.00 0.00 C ATOM 197 C ALA A 14 -8.923 12.041 5.010 1.00 0.00 C ATOM 198 O ALA A 14 -9.542 12.121 6.062 1.00 0.00 O ATOM 199 CB ALA A 14 -6.728 13.244 4.858 1.00 0.00 C ATOM 0 H ALA A 14 -6.535 11.488 3.143 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.091 11.448 5.939 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.031 13.888 5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.646 13.111 4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.019 13.704 3.914 1.00 0.00 H new ATOM 205 N ALA A 15 -9.522 12.049 3.834 1.00 0.00 N ATOM 206 CA ALA A 15 -10.966 12.165 3.729 1.00 0.00 C ATOM 207 C ALA A 15 -11.653 10.943 4.321 1.00 0.00 C ATOM 208 O ALA A 15 -12.810 11.005 4.734 1.00 0.00 O ATOM 209 CB ALA A 15 -11.380 12.356 2.279 1.00 0.00 C ATOM 0 H ALA A 15 -9.034 11.977 2.941 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.279 13.040 4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.465 12.441 2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.922 13.264 1.887 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.050 11.500 1.691 1.00 0.00 H new ATOM 215 N ALA A 16 -10.929 9.835 4.352 1.00 0.00 N ATOM 216 CA ALA A 16 -11.456 8.594 4.879 1.00 0.00 C ATOM 217 C ALA A 16 -11.015 8.333 6.319 1.00 0.00 C ATOM 218 O ALA A 16 -11.839 7.987 7.166 1.00 0.00 O ATOM 219 CB ALA A 16 -11.040 7.433 3.991 1.00 0.00 C ATOM 0 H ALA A 16 -9.968 9.774 4.015 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.542 8.685 4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.441 6.504 4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.428 7.588 2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.952 7.374 3.956 1.00 0.00 H new ATOM 225 N ILE A 17 -9.713 8.437 6.592 1.00 0.00 N ATOM 226 CA ILE A 17 -9.211 8.140 7.920 1.00 0.00 C ATOM 227 C ILE A 17 -9.061 9.358 8.839 1.00 0.00 C ATOM 228 O ILE A 17 -9.296 9.230 10.030 1.00 0.00 O ATOM 229 CB ILE A 17 -7.898 7.309 7.869 1.00 0.00 C ATOM 230 CG1 ILE A 17 -7.664 6.662 9.205 1.00 0.00 C ATOM 231 CG2 ILE A 17 -6.658 8.121 7.535 1.00 0.00 C ATOM 232 CD1 ILE A 17 -7.015 7.587 10.195 1.00 0.00 C ATOM 0 H ILE A 17 -9.002 8.721 5.918 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.992 7.532 8.377 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.043 6.582 7.070 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.616 6.316 9.608 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.036 5.781 9.072 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.787 7.466 7.520 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.780 8.585 6.556 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.516 8.895 8.289 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.871 7.065 11.141 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.049 7.912 9.810 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.654 8.456 10.354 1.00 0.00 H new ATOM 244 N ALA A 18 -8.666 10.517 8.328 1.00 0.00 N ATOM 245 CA ALA A 18 -8.507 11.706 9.198 1.00 0.00 C ATOM 246 C ALA A 18 -9.743 11.922 10.068 1.00 0.00 C ATOM 247 O ALA A 18 -9.644 12.394 11.196 1.00 0.00 O ATOM 248 CB ALA A 18 -8.225 12.966 8.402 1.00 0.00 C ATOM 0 H ALA A 18 -8.451 10.672 7.343 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.646 11.506 9.836 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.116 13.810 9.083 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.304 12.838 7.833 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.051 13.156 7.717 1.00 0.00 H new ATOM 254 N GLY A 19 -10.903 11.544 9.546 1.00 0.00 N ATOM 255 CA GLY A 19 -12.134 11.671 10.304 1.00 0.00 C ATOM 256 C GLY A 19 -12.217 10.638 11.419 1.00 0.00 C ATOM 257 O GLY A 19 -12.884 10.855 12.428 1.00 0.00 O ATOM 0 H GLY A 19 -11.014 11.152 8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.198 12.672 10.730 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.987 11.554 9.635 1.00 0.00 H new ATOM 261 N ALA A 20 -11.514 9.521 11.238 1.00 0.00 N ATOM 262 CA ALA A 20 -11.478 8.452 12.221 1.00 0.00 C ATOM 263 C ALA A 20 -10.517 8.787 13.344 1.00 0.00 C ATOM 264 O ALA A 20 -10.827 8.578 14.516 1.00 0.00 O ATOM 265 CB ALA A 20 -11.090 7.134 11.575 1.00 0.00 C ATOM 0 H ALA A 20 -10.955 9.337 10.405 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.479 8.349 12.639 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.070 6.350 12.332 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.818 6.878 10.806 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.102 7.227 11.123 1.00 0.00 H new ATOM 271 N VAL A 21 -9.354 9.333 12.996 1.00 0.00 N ATOM 272 CA VAL A 21 -8.396 9.717 14.023 1.00 0.00 C ATOM 273 C VAL A 21 -8.993 10.845 14.827 1.00 0.00 C ATOM 274 O VAL A 21 -8.865 10.890 16.034 1.00 0.00 O ATOM 275 CB VAL A 21 -7.026 10.173 13.488 1.00 0.00 C ATOM 276 CG1 VAL A 21 -6.306 9.054 12.764 1.00 0.00 C ATOM 277 CG2 VAL A 21 -7.142 11.399 12.613 1.00 0.00 C ATOM 0 H VAL A 21 -9.059 9.515 12.037 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.208 8.823 14.618 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.425 10.446 14.356 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.344 9.415 12.401 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.146 8.221 13.449 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.909 8.719 11.920 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.153 11.687 12.257 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.784 11.178 11.761 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.573 12.218 13.189 1.00 0.00 H new ATOM 287 N ALA A 22 -9.670 11.737 14.123 1.00 0.00 N ATOM 288 CA ALA A 22 -10.340 12.873 14.733 1.00 0.00 C ATOM 289 C ALA A 22 -11.372 12.388 15.739 1.00 0.00 C ATOM 290 O ALA A 22 -11.672 13.071 16.717 1.00 0.00 O ATOM 291 CB ALA A 22 -11.010 13.724 13.665 1.00 0.00 C ATOM 0 H ALA A 22 -9.771 11.693 13.109 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.599 13.482 15.251 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.508 14.572 14.135 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.258 14.088 12.965 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.744 13.123 13.129 1.00 0.00 H new ATOM 297 N ALA A 23 -11.907 11.193 15.496 1.00 0.00 N ATOM 298 CA ALA A 23 -12.894 10.611 16.386 1.00 0.00 C ATOM 299 C ALA A 23 -12.236 10.098 17.665 1.00 0.00 C ATOM 300 O ALA A 23 -12.879 10.025 18.713 1.00 0.00 O ATOM 301 CB ALA A 23 -13.648 9.488 15.688 1.00 0.00 C ATOM 0 H ALA A 23 -11.670 10.614 14.690 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.607 11.390 16.657 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -14.384 9.064 16.371 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.156 9.883 14.808 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.945 8.712 15.384 1.00 0.00 H new ATOM 307 N CYS A 24 -10.958 9.736 17.579 1.00 0.00 N ATOM 308 CA CYS A 24 -10.238 9.224 18.740 1.00 0.00 C ATOM 309 C CYS A 24 -9.340 10.292 19.374 1.00 0.00 C ATOM 310 O CYS A 24 -9.328 10.449 20.595 1.00 0.00 O ATOM 311 CB CYS A 24 -9.410 8.004 18.346 1.00 0.00 C ATOM 312 SG CYS A 24 -8.760 7.062 19.762 1.00 0.00 S ATOM 0 H CYS A 24 -10.404 9.787 16.724 1.00 0.00 H new ATOM 0 HA CYS A 24 -10.978 8.935 19.486 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -10.024 7.343 17.734 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -8.575 8.329 17.725 1.00 0.00 H new ATOM 317 N GLY A 25 -8.584 11.023 18.554 1.00 0.00 N ATOM 318 CA GLY A 25 -7.705 12.048 19.076 1.00 0.00 C ATOM 319 C GLY A 25 -6.314 11.974 18.480 1.00 0.00 C ATOM 320 O GLY A 25 -5.320 11.942 19.205 1.00 0.00 O ATOM 0 H GLY A 25 -8.568 10.920 17.539 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.133 13.029 18.871 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.639 11.949 20.159 1.00 0.00 H new ATOM 324 N GLY A 26 -6.241 11.934 17.157 1.00 0.00 N ATOM 325 CA GLY A 26 -4.957 11.846 16.484 1.00 0.00 C ATOM 326 C GLY A 26 -4.732 10.466 15.907 1.00 0.00 C ATOM 327 O GLY A 26 -5.619 9.615 16.002 1.00 0.00 O ATOM 0 H GLY A 26 -7.049 11.961 16.535 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.910 12.588 15.687 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.159 12.083 17.187 1.00 0.00 H new ATOM 331 N ILE A 27 -3.560 10.236 15.312 1.00 0.00 N ATOM 332 CA ILE A 27 -3.235 8.937 14.721 1.00 0.00 C ATOM 333 C ILE A 27 -3.087 7.851 15.800 1.00 0.00 C ATOM 334 O ILE A 27 -1.988 7.396 16.130 1.00 0.00 O ATOM 335 CB ILE A 27 -1.956 9.010 13.837 1.00 0.00 C ATOM 336 CG1 ILE A 27 -2.231 9.843 12.593 1.00 0.00 C ATOM 337 CG2 ILE A 27 -1.495 7.622 13.405 1.00 0.00 C ATOM 338 CD1 ILE A 27 -3.130 9.132 11.601 1.00 0.00 C ATOM 0 H ILE A 27 -2.820 10.933 15.227 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.070 8.663 14.076 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.170 9.470 14.435 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.694 10.785 12.886 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.286 10.089 12.109 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.600 7.711 12.789 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.271 7.022 14.287 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.285 7.139 12.829 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.293 9.772 10.734 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.657 8.203 11.283 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.087 8.909 12.072 1.00 0.00 H new ATOM 350 N ASP A 28 -4.220 7.394 16.301 1.00 0.00 N ATOM 351 CA ASP A 28 -4.244 6.304 17.252 1.00 0.00 C ATOM 352 C ASP A 28 -4.572 5.135 16.374 1.00 0.00 C ATOM 353 O ASP A 28 -5.725 4.760 16.228 1.00 0.00 O ATOM 354 CB ASP A 28 -5.315 6.487 18.332 1.00 0.00 C ATOM 355 CG ASP A 28 -5.001 5.712 19.590 1.00 0.00 C ATOM 356 OD1 ASP A 28 -4.839 4.482 19.512 1.00 0.00 O ATOM 357 OD2 ASP A 28 -4.919 6.337 20.661 1.00 0.00 O ATOM 0 H ASP A 28 -5.139 7.765 16.062 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.312 6.208 17.809 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.406 7.546 18.574 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.280 6.165 17.941 1.00 0.00 H new ATOM 362 N LEU A 29 -3.548 4.660 15.696 1.00 0.00 N ATOM 363 CA LEU A 29 -3.668 3.632 14.704 1.00 0.00 C ATOM 364 C LEU A 29 -4.546 2.428 15.112 1.00 0.00 C ATOM 365 O LEU A 29 -5.353 1.989 14.293 1.00 0.00 O ATOM 366 CB LEU A 29 -2.243 3.349 14.185 1.00 0.00 C ATOM 367 CG LEU A 29 -1.841 1.944 13.776 1.00 0.00 C ATOM 368 CD1 LEU A 29 -1.389 1.968 12.339 1.00 0.00 C ATOM 369 CD2 LEU A 29 -0.693 1.466 14.641 1.00 0.00 C ATOM 0 H LEU A 29 -2.592 4.990 15.828 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.268 3.967 13.858 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.080 3.995 13.322 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.548 3.671 14.960 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.691 1.273 13.897 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.097 0.964 12.033 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.205 2.318 11.707 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.537 2.640 12.237 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.409 0.457 14.343 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.159 2.135 14.517 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.002 1.462 15.686 1.00 0.00 H new ATOM 381 N PRO A 30 -4.502 1.906 16.366 1.00 0.00 N ATOM 382 CA PRO A 30 -5.398 0.814 16.757 1.00 0.00 C ATOM 383 C PRO A 30 -6.827 1.311 16.985 1.00 0.00 C ATOM 384 O PRO A 30 -7.790 0.542 16.937 1.00 0.00 O ATOM 385 CB PRO A 30 -4.825 0.290 18.080 1.00 0.00 C ATOM 386 CG PRO A 30 -3.762 1.252 18.515 1.00 0.00 C ATOM 387 CD PRO A 30 -3.657 2.352 17.488 1.00 0.00 C ATOM 0 HA PRO A 30 -5.451 0.053 15.979 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -5.608 0.214 18.835 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.410 -0.709 17.950 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.006 1.669 19.492 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.806 0.738 18.618 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.005 3.303 17.891 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.625 2.499 17.171 1.00 0.00 H new ATOM 395 N CYS A 31 -6.931 2.602 17.266 1.00 0.00 N ATOM 396 CA CYS A 31 -8.196 3.263 17.557 1.00 0.00 C ATOM 397 C CYS A 31 -8.976 3.663 16.306 1.00 0.00 C ATOM 398 O CYS A 31 -10.171 3.393 16.204 1.00 0.00 O ATOM 399 CB CYS A 31 -7.917 4.539 18.348 1.00 0.00 C ATOM 400 SG CYS A 31 -9.302 5.147 19.359 1.00 0.00 S ATOM 0 H CYS A 31 -6.127 3.229 17.299 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.798 2.546 18.115 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.062 4.362 19.001 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.627 5.324 17.649 1.00 0.00 H new ATOM 405 N VAL A 32 -8.315 4.370 15.383 1.00 0.00 N ATOM 406 CA VAL A 32 -8.995 4.871 14.182 1.00 0.00 C ATOM 407 C VAL A 32 -9.532 3.753 13.312 1.00 0.00 C ATOM 408 O VAL A 32 -10.557 3.928 12.666 1.00 0.00 O ATOM 409 CB VAL A 32 -8.090 5.805 13.331 1.00 0.00 C ATOM 410 CG1 VAL A 32 -6.989 6.388 14.187 1.00 0.00 C ATOM 411 CG2 VAL A 32 -7.548 5.120 12.092 1.00 0.00 C ATOM 0 H VAL A 32 -7.324 4.606 15.441 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.838 5.454 14.553 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.709 6.625 12.967 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.362 7.040 13.579 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.428 6.963 15.002 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.382 5.581 14.598 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.923 5.818 11.535 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.954 4.255 12.385 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.377 4.795 11.464 1.00 0.00 H new ATOM 421 N LEU A 33 -8.846 2.618 13.276 1.00 0.00 N ATOM 422 CA LEU A 33 -9.278 1.516 12.446 1.00 0.00 C ATOM 423 C LEU A 33 -10.621 0.945 12.905 1.00 0.00 C ATOM 424 O LEU A 33 -11.241 0.182 12.185 1.00 0.00 O ATOM 425 CB LEU A 33 -8.211 0.431 12.414 1.00 0.00 C ATOM 426 CG LEU A 33 -8.202 -0.399 11.133 1.00 0.00 C ATOM 427 CD1 LEU A 33 -7.102 0.058 10.180 1.00 0.00 C ATOM 428 CD2 LEU A 33 -8.054 -1.863 11.470 1.00 0.00 C ATOM 0 H LEU A 33 -7.995 2.443 13.810 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.422 1.899 11.436 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.233 0.895 12.540 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.360 -0.235 13.264 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.153 -0.251 10.621 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.124 -0.554 9.278 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.262 1.103 9.913 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.132 -0.047 10.666 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.048 -2.449 10.551 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.118 -2.020 12.006 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.888 -2.178 12.096 1.00 0.00 H new ATOM 440 N ALA A 34 -11.094 1.345 14.081 1.00 0.00 N ATOM 441 CA ALA A 34 -12.390 0.879 14.564 1.00 0.00 C ATOM 442 C ALA A 34 -13.487 1.515 13.730 1.00 0.00 C ATOM 443 O ALA A 34 -14.409 0.850 13.262 1.00 0.00 O ATOM 444 CB ALA A 34 -12.573 1.223 16.036 1.00 0.00 C ATOM 0 H ALA A 34 -10.607 1.983 14.711 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.441 -0.205 14.467 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.546 0.866 16.375 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.787 0.746 16.622 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.517 2.304 16.167 1.00 0.00 H new ATOM 450 N ALA A 35 -13.355 2.818 13.527 1.00 0.00 N ATOM 451 CA ALA A 35 -14.307 3.572 12.730 1.00 0.00 C ATOM 452 C ALA A 35 -13.902 3.568 11.265 1.00 0.00 C ATOM 453 O ALA A 35 -14.749 3.496 10.376 1.00 0.00 O ATOM 454 CB ALA A 35 -14.403 5.000 13.232 1.00 0.00 C ATOM 0 H ALA A 35 -12.591 3.377 13.907 1.00 0.00 H new ATOM 0 HA ALA A 35 -15.282 3.095 12.826 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -15.120 5.552 12.624 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -14.732 4.999 14.271 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -13.425 5.477 13.162 1.00 0.00 H new ATOM 460 N LEU A 36 -12.599 3.650 11.015 1.00 0.00 N ATOM 461 CA LEU A 36 -12.086 3.663 9.660 1.00 0.00 C ATOM 462 C LEU A 36 -12.277 2.333 8.978 1.00 0.00 C ATOM 463 O LEU A 36 -12.204 2.236 7.759 1.00 0.00 O ATOM 464 CB LEU A 36 -10.601 3.978 9.620 1.00 0.00 C ATOM 465 CG LEU A 36 -10.006 3.809 8.227 1.00 0.00 C ATOM 466 CD1 LEU A 36 -10.462 4.918 7.325 1.00 0.00 C ATOM 467 CD2 LEU A 36 -8.520 3.750 8.251 1.00 0.00 C ATOM 0 H LEU A 36 -11.882 3.708 11.738 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.650 4.439 9.142 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.441 5.002 9.958 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.076 3.326 10.318 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.365 2.855 7.840 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -10.028 4.783 6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.549 4.903 7.250 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.140 5.876 7.734 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.144 3.629 7.235 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.126 4.673 8.676 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.199 2.904 8.859 1.00 0.00 H new ATOM 479 N LYS A 37 -12.496 1.283 9.730 1.00 0.00 N ATOM 480 CA LYS A 37 -12.649 0.013 9.069 1.00 0.00 C ATOM 481 C LYS A 37 -13.962 -0.015 8.301 1.00 0.00 C ATOM 482 O LYS A 37 -14.155 -0.830 7.404 1.00 0.00 O ATOM 483 CB LYS A 37 -12.583 -1.169 10.035 1.00 0.00 C ATOM 484 CG LYS A 37 -11.364 -2.061 9.835 1.00 0.00 C ATOM 485 CD LYS A 37 -11.460 -3.326 10.676 1.00 0.00 C ATOM 486 CE LYS A 37 -12.599 -4.222 10.204 1.00 0.00 C ATOM 487 NZ LYS A 37 -12.969 -5.245 11.220 1.00 0.00 N ATOM 0 H LYS A 37 -12.569 1.277 10.747 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.811 -0.093 8.380 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.581 -0.791 11.057 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.484 -1.771 9.920 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.275 -2.328 8.782 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.461 -1.512 10.102 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.519 -3.873 10.622 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.614 -3.059 11.721 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.470 -3.608 9.975 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.308 -4.720 9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.747 -5.831 10.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.146 -5.848 11.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.273 -4.772 12.095 1.00 0.00 H new ATOM 501 N ALA A 38 -14.847 0.916 8.640 1.00 0.00 N ATOM 502 CA ALA A 38 -16.124 1.041 7.966 1.00 0.00 C ATOM 503 C ALA A 38 -15.954 1.908 6.723 1.00 0.00 C ATOM 504 O ALA A 38 -16.923 2.215 6.025 1.00 0.00 O ATOM 505 CB ALA A 38 -17.163 1.635 8.907 1.00 0.00 C ATOM 0 H ALA A 38 -14.697 1.598 9.384 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.475 0.054 7.663 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -18.117 1.723 8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.281 0.986 9.775 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.836 2.622 9.234 1.00 0.00 H new ATOM 511 N ALA A 39 -14.700 2.286 6.450 1.00 0.00 N ATOM 512 CA ALA A 39 -14.366 3.102 5.286 1.00 0.00 C ATOM 513 C ALA A 39 -14.570 2.302 4.011 1.00 0.00 C ATOM 514 O ALA A 39 -14.847 1.101 4.054 1.00 0.00 O ATOM 515 CB ALA A 39 -12.912 3.598 5.340 1.00 0.00 C ATOM 0 H ALA A 39 -13.897 2.035 7.027 1.00 0.00 H new ATOM 0 HA ALA A 39 -15.028 3.968 5.294 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.700 4.202 4.457 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.767 4.202 6.236 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.237 2.743 5.365 1.00 0.00 H new ATOM 521 N GLU A 40 -14.397 2.957 2.876 1.00 0.00 N ATOM 522 CA GLU A 40 -14.530 2.297 1.587 1.00 0.00 C ATOM 523 C GLU A 40 -13.369 1.327 1.385 1.00 0.00 C ATOM 524 O GLU A 40 -13.407 0.452 0.519 1.00 0.00 O ATOM 525 CB GLU A 40 -14.566 3.336 0.455 1.00 0.00 C ATOM 526 CG GLU A 40 -13.233 4.036 0.189 1.00 0.00 C ATOM 527 CD GLU A 40 -12.848 5.076 1.222 1.00 0.00 C ATOM 528 OE1 GLU A 40 -13.661 5.373 2.117 1.00 0.00 O ATOM 529 OE2 GLU A 40 -11.727 5.611 1.123 1.00 0.00 O ATOM 0 H GLU A 40 -14.163 3.948 2.820 1.00 0.00 H new ATOM 0 HA GLU A 40 -15.466 1.739 1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -14.892 2.844 -0.461 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -15.315 4.090 0.696 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.446 3.283 0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.278 4.514 -0.789 1.00 0.00 H new ATOM 536 N GLY A 41 -12.332 1.493 2.200 1.00 0.00 N ATOM 537 CA GLY A 41 -11.164 0.644 2.113 1.00 0.00 C ATOM 538 C GLY A 41 -9.908 1.458 1.909 1.00 0.00 C ATOM 539 O GLY A 41 -9.109 1.166 1.024 1.00 0.00 O ATOM 0 H GLY A 41 -12.283 2.209 2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.073 0.053 3.024 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.283 -0.058 1.288 1.00 0.00 H new ATOM 543 N CYS A 42 -9.725 2.489 2.726 1.00 0.00 N ATOM 544 CA CYS A 42 -8.555 3.340 2.607 1.00 0.00 C ATOM 545 C CYS A 42 -7.675 3.188 3.833 1.00 0.00 C ATOM 546 O CYS A 42 -6.769 3.990 4.070 1.00 0.00 O ATOM 547 CB CYS A 42 -8.963 4.802 2.438 1.00 0.00 C ATOM 548 SG CYS A 42 -7.606 5.900 1.887 1.00 0.00 S ATOM 0 H CYS A 42 -10.369 2.752 3.472 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.996 3.033 1.723 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.778 4.859 1.716 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.352 5.171 3.387 1.00 0.00 H new ATOM 553 N ALA A 43 -7.937 2.140 4.603 1.00 0.00 N ATOM 554 CA ALA A 43 -7.161 1.858 5.797 1.00 0.00 C ATOM 555 C ALA A 43 -5.729 1.557 5.414 1.00 0.00 C ATOM 556 O ALA A 43 -4.797 1.811 6.180 1.00 0.00 O ATOM 557 CB ALA A 43 -7.764 0.695 6.550 1.00 0.00 C ATOM 0 H ALA A 43 -8.684 1.471 4.419 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.176 2.732 6.448 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.173 0.494 7.443 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.786 0.939 6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.769 -0.188 5.912 1.00 0.00 H new ATOM 563 N SER A 44 -5.572 1.043 4.200 1.00 0.00 N ATOM 564 CA SER A 44 -4.269 0.727 3.656 1.00 0.00 C ATOM 565 C SER A 44 -3.462 2.010 3.473 1.00 0.00 C ATOM 566 O SER A 44 -2.238 1.985 3.474 1.00 0.00 O ATOM 567 CB SER A 44 -4.424 -0.016 2.322 1.00 0.00 C ATOM 568 OG SER A 44 -3.163 -0.352 1.769 1.00 0.00 O ATOM 0 H SER A 44 -6.347 0.836 3.570 1.00 0.00 H new ATOM 0 HA SER A 44 -3.734 0.077 4.349 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.010 -0.923 2.474 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.977 0.607 1.619 1.00 0.00 H new ATOM 0 HG SER A 44 -3.151 -0.119 0.817 1.00 0.00 H new ATOM 574 N CYS A 45 -4.161 3.142 3.357 1.00 0.00 N ATOM 575 CA CYS A 45 -3.486 4.431 3.214 1.00 0.00 C ATOM 576 C CYS A 45 -3.172 4.987 4.583 1.00 0.00 C ATOM 577 O CYS A 45 -2.112 5.564 4.804 1.00 0.00 O ATOM 578 CB CYS A 45 -4.323 5.456 2.459 1.00 0.00 C ATOM 579 SG CYS A 45 -3.294 6.685 1.594 1.00 0.00 S ATOM 0 H CYS A 45 -5.180 3.191 3.359 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.578 4.251 2.639 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.957 4.943 1.736 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.985 5.967 3.158 1.00 0.00 H new ATOM 584 N PHE A 46 -4.109 4.790 5.503 1.00 0.00 N ATOM 585 CA PHE A 46 -3.948 5.242 6.873 1.00 0.00 C ATOM 586 C PHE A 46 -2.653 4.682 7.430 1.00 0.00 C ATOM 587 O PHE A 46 -1.709 5.425 7.690 1.00 0.00 O ATOM 588 CB PHE A 46 -5.167 4.800 7.697 1.00 0.00 C ATOM 589 CG PHE A 46 -4.930 4.557 9.165 1.00 0.00 C ATOM 590 CD1 PHE A 46 -4.761 5.590 10.082 1.00 0.00 C ATOM 591 CD2 PHE A 46 -4.907 3.260 9.636 1.00 0.00 C ATOM 592 CE1 PHE A 46 -4.582 5.332 11.391 1.00 0.00 C ATOM 593 CE2 PHE A 46 -4.719 2.997 10.962 1.00 0.00 C ATOM 594 CZ PHE A 46 -4.565 4.030 11.847 1.00 0.00 C ATOM 0 H PHE A 46 -4.993 4.316 5.319 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.891 6.330 6.918 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.941 5.561 7.597 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.562 3.884 7.258 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.774 6.614 9.738 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -5.040 2.441 8.945 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.451 6.147 12.087 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.692 1.976 11.312 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.431 3.826 12.899 1.00 0.00 H new ATOM 604 N CYS A 47 -2.595 3.368 7.589 1.00 0.00 N ATOM 605 CA CYS A 47 -1.397 2.733 8.105 1.00 0.00 C ATOM 606 C CYS A 47 -0.341 2.514 7.012 1.00 0.00 C ATOM 607 O CYS A 47 0.462 1.588 7.091 1.00 0.00 O ATOM 608 CB CYS A 47 -1.761 1.415 8.774 1.00 0.00 C ATOM 609 SG CYS A 47 -0.383 0.616 9.648 1.00 0.00 S ATOM 0 H CYS A 47 -3.358 2.727 7.370 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.954 3.403 8.842 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.571 1.591 9.481 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.142 0.730 8.017 1.00 0.00 H new ATOM 614 N GLU A 48 -0.311 3.383 6.010 1.00 0.00 N ATOM 615 CA GLU A 48 0.688 3.271 4.955 1.00 0.00 C ATOM 616 C GLU A 48 1.929 4.029 5.400 1.00 0.00 C ATOM 617 O GLU A 48 3.063 3.621 5.144 1.00 0.00 O ATOM 618 CB GLU A 48 0.154 3.835 3.635 1.00 0.00 C ATOM 619 CG GLU A 48 0.878 3.320 2.403 1.00 0.00 C ATOM 620 CD GLU A 48 0.179 3.708 1.121 1.00 0.00 C ATOM 621 OE1 GLU A 48 -0.802 4.475 1.186 1.00 0.00 O ATOM 622 OE2 GLU A 48 0.621 3.261 0.045 1.00 0.00 O ATOM 0 H GLU A 48 -0.958 4.164 5.905 1.00 0.00 H new ATOM 0 HA GLU A 48 0.930 2.222 4.783 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.905 3.591 3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.229 4.922 3.660 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.895 3.712 2.392 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.955 2.234 2.457 1.00 0.00 H new ATOM 629 N ASP A 49 1.685 5.125 6.109 1.00 0.00 N ATOM 630 CA ASP A 49 2.746 5.959 6.651 1.00 0.00 C ATOM 631 C ASP A 49 3.314 5.319 7.914 1.00 0.00 C ATOM 632 O ASP A 49 4.529 5.254 8.106 1.00 0.00 O ATOM 633 CB ASP A 49 2.195 7.353 6.976 1.00 0.00 C ATOM 634 CG ASP A 49 3.206 8.241 7.665 1.00 0.00 C ATOM 635 OD1 ASP A 49 4.217 8.599 7.031 1.00 0.00 O ATOM 636 OD2 ASP A 49 2.989 8.580 8.843 1.00 0.00 O ATOM 0 H ASP A 49 0.745 5.459 6.323 1.00 0.00 H new ATOM 0 HA ASP A 49 3.541 6.052 5.911 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.867 7.832 6.054 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.316 7.251 7.612 1.00 0.00 H new ATOM 641 N HIS A 50 2.414 4.848 8.770 1.00 0.00 N ATOM 642 CA HIS A 50 2.795 4.212 10.031 1.00 0.00 C ATOM 643 C HIS A 50 2.471 2.723 10.047 1.00 0.00 C ATOM 644 O HIS A 50 1.793 2.245 10.956 1.00 0.00 O ATOM 645 CB HIS A 50 2.095 4.898 11.210 1.00 0.00 C ATOM 646 CG HIS A 50 0.704 5.352 10.913 1.00 0.00 C ATOM 647 ND1 HIS A 50 -0.370 4.500 10.853 1.00 0.00 N ATOM 648 CD2 HIS A 50 0.224 6.584 10.635 1.00 0.00 C ATOM 649 CE1 HIS A 50 -1.453 5.188 10.556 1.00 0.00 C ATOM 650 NE2 HIS A 50 -1.122 6.459 10.416 1.00 0.00 N ATOM 0 H HIS A 50 1.407 4.894 8.614 1.00 0.00 H new ATOM 0 HA HIS A 50 3.875 4.322 10.127 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.068 4.209 12.054 1.00 0.00 H new ATOM 0 HB3 HIS A 50 2.688 5.758 11.520 1.00 0.00 H new ATOM 0 HD2 HIS A 50 0.796 7.499 10.593 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -2.447 4.780 10.445 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -1.761 7.219 10.184 1.00 0.00 H new ATOM 659 N CYS A 51 2.967 1.992 9.059 1.00 0.00 N ATOM 660 CA CYS A 51 2.737 0.546 8.987 1.00 0.00 C ATOM 661 C CYS A 51 3.569 -0.174 10.044 1.00 0.00 C ATOM 662 O CYS A 51 4.645 -0.699 9.754 1.00 0.00 O ATOM 663 CB CYS A 51 3.072 -0.005 7.594 1.00 0.00 C ATOM 664 SG CYS A 51 2.794 -1.803 7.429 1.00 0.00 S ATOM 0 H CYS A 51 3.530 2.369 8.296 1.00 0.00 H new ATOM 0 HA CYS A 51 1.679 0.367 9.177 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.468 0.517 6.852 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.115 0.215 7.367 1.00 0.00 H new ATOM 669 N HIS A 52 3.071 -0.171 11.275 1.00 0.00 N ATOM 670 CA HIS A 52 3.761 -0.798 12.396 1.00 0.00 C ATOM 671 C HIS A 52 2.799 -0.965 13.565 1.00 0.00 C ATOM 672 O HIS A 52 1.598 -0.727 13.425 1.00 0.00 O ATOM 673 CB HIS A 52 4.955 0.074 12.836 1.00 0.00 C ATOM 674 CG HIS A 52 4.559 1.320 13.586 1.00 0.00 C ATOM 675 ND1 HIS A 52 3.644 2.230 13.105 1.00 0.00 N ATOM 676 CD2 HIS A 52 4.936 1.781 14.804 1.00 0.00 C ATOM 677 CE1 HIS A 52 3.473 3.194 13.992 1.00 0.00 C ATOM 678 NE2 HIS A 52 4.244 2.947 15.035 1.00 0.00 N ATOM 0 H HIS A 52 2.182 0.264 11.523 1.00 0.00 H new ATOM 0 HA HIS A 52 4.126 -1.776 12.083 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.615 -0.523 13.466 1.00 0.00 H new ATOM 0 HB3 HIS A 52 5.528 0.360 11.954 1.00 0.00 H new ATOM 0 HD1 HIS A 52 3.171 2.169 12.203 1.00 0.00 H new ATOM 0 HD2 HIS A 52 5.649 1.318 15.470 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.813 4.042 13.882 1.00 0.00 H new ATOM 687 N GLY A 53 3.353 -1.328 14.716 1.00 0.00 N ATOM 688 CA GLY A 53 2.572 -1.476 15.929 1.00 0.00 C ATOM 689 C GLY A 53 1.373 -2.389 15.808 1.00 0.00 C ATOM 690 O GLY A 53 1.515 -3.612 15.762 1.00 0.00 O ATOM 0 H GLY A 53 4.347 -1.525 14.830 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.221 -1.856 16.718 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.229 -0.491 16.245 1.00 0.00 H new ATOM 694 N VAL A 54 0.182 -1.797 15.805 1.00 0.00 N ATOM 695 CA VAL A 54 -1.033 -2.556 15.758 1.00 0.00 C ATOM 696 C VAL A 54 -1.524 -2.825 14.328 1.00 0.00 C ATOM 697 O VAL A 54 -2.504 -3.503 14.165 1.00 0.00 O ATOM 698 CB VAL A 54 -2.117 -1.838 16.575 1.00 0.00 C ATOM 699 CG1 VAL A 54 -2.695 -0.709 15.761 1.00 0.00 C ATOM 700 CG2 VAL A 54 -3.199 -2.804 17.039 1.00 0.00 C ATOM 0 H VAL A 54 0.048 -0.786 15.835 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.822 -3.533 16.193 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.662 -1.424 17.475 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.464 -0.199 16.341 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.905 -0.003 15.506 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.134 -1.108 14.846 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.949 -2.261 17.614 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.671 -3.266 16.172 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.753 -3.577 17.664 1.00 0.00 H new ATOM 710 N CYS A 55 -0.818 -2.348 13.296 1.00 0.00 N ATOM 711 CA CYS A 55 -1.193 -2.632 11.878 1.00 0.00 C ATOM 712 C CYS A 55 -1.240 -4.147 11.696 1.00 0.00 C ATOM 713 O CYS A 55 -1.938 -4.673 10.830 1.00 0.00 O ATOM 714 CB CYS A 55 -0.110 -2.058 10.972 1.00 0.00 C ATOM 715 SG CYS A 55 -0.720 -1.364 9.414 1.00 0.00 S ATOM 0 H CYS A 55 0.013 -1.766 13.400 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.159 -2.190 11.634 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.426 -1.280 11.516 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.611 -2.844 10.747 1.00 0.00 H new ATOM 720 N LYS A 56 -0.498 -4.819 12.571 1.00 0.00 N ATOM 721 CA LYS A 56 -0.406 -6.270 12.613 1.00 0.00 C ATOM 722 C LYS A 56 -1.717 -6.864 13.145 1.00 0.00 C ATOM 723 O LYS A 56 -2.152 -7.930 12.709 1.00 0.00 O ATOM 724 CB LYS A 56 0.786 -6.635 13.507 1.00 0.00 C ATOM 725 CG LYS A 56 1.223 -8.087 13.435 1.00 0.00 C ATOM 726 CD LYS A 56 2.635 -8.261 13.988 1.00 0.00 C ATOM 727 CE LYS A 56 2.765 -7.711 15.405 1.00 0.00 C ATOM 728 NZ LYS A 56 4.184 -7.624 15.857 1.00 0.00 N ATOM 0 H LYS A 56 0.067 -4.358 13.284 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.250 -6.682 11.616 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.631 -6.003 13.235 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.531 -6.399 14.540 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.528 -8.708 14.000 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.189 -8.430 12.401 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.898 -9.319 13.984 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.345 -7.753 13.335 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.312 -6.721 15.450 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.207 -8.348 16.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.217 -7.245 16.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.612 -8.572 15.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.713 -6.995 15.220 1.00 0.00 H new ATOM 742 N ASP A 57 -2.356 -6.135 14.064 1.00 0.00 N ATOM 743 CA ASP A 57 -3.644 -6.538 14.641 1.00 0.00 C ATOM 744 C ASP A 57 -4.775 -5.906 13.846 1.00 0.00 C ATOM 745 O ASP A 57 -5.882 -6.431 13.769 1.00 0.00 O ATOM 746 CB ASP A 57 -3.767 -6.071 16.088 1.00 0.00 C ATOM 747 CG ASP A 57 -4.135 -7.201 17.020 1.00 0.00 C ATOM 748 OD1 ASP A 57 -4.242 -8.351 16.555 1.00 0.00 O ATOM 749 OD2 ASP A 57 -4.327 -6.939 18.221 1.00 0.00 O ATOM 0 H ASP A 57 -1.998 -5.252 14.429 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.702 -7.626 14.606 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.823 -5.631 16.408 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.522 -5.288 16.153 1.00 0.00 H new ATOM 754 N LEU A 58 -4.452 -4.762 13.266 1.00 0.00 N ATOM 755 CA LEU A 58 -5.338 -3.979 12.453 1.00 0.00 C ATOM 756 C LEU A 58 -5.753 -4.846 11.268 1.00 0.00 C ATOM 757 O LEU A 58 -6.942 -5.109 11.078 1.00 0.00 O ATOM 758 CB LEU A 58 -4.544 -2.739 12.038 1.00 0.00 C ATOM 759 CG LEU A 58 -5.026 -1.364 12.530 1.00 0.00 C ATOM 760 CD1 LEU A 58 -5.199 -1.345 14.029 1.00 0.00 C ATOM 761 CD2 LEU A 58 -4.031 -0.294 12.128 1.00 0.00 C ATOM 0 H LEU A 58 -3.526 -4.346 13.359 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.249 -3.660 12.960 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.517 -2.873 12.379 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.517 -2.711 10.949 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.993 -1.166 12.068 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.540 -0.359 14.343 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.936 -2.094 14.320 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.246 -1.569 14.508 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.379 0.677 12.480 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.060 -0.514 12.572 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.937 -0.274 11.042 1.00 0.00 H new ATOM 773 N HIS A 59 -4.739 -5.302 10.503 1.00 0.00 N ATOM 774 CA HIS A 59 -4.914 -6.194 9.346 1.00 0.00 C ATOM 775 C HIS A 59 -5.139 -5.387 8.109 1.00 0.00 C ATOM 776 O HIS A 59 -6.221 -5.397 7.520 1.00 0.00 O ATOM 777 CB HIS A 59 -6.047 -7.220 9.525 1.00 0.00 C ATOM 778 CG HIS A 59 -5.812 -8.214 10.623 1.00 0.00 C ATOM 779 ND1 HIS A 59 -4.691 -9.010 10.692 1.00 0.00 N ATOM 780 CD2 HIS A 59 -6.566 -8.536 11.700 1.00 0.00 C ATOM 781 CE1 HIS A 59 -4.767 -9.779 11.763 1.00 0.00 C ATOM 782 NE2 HIS A 59 -5.894 -9.511 12.397 1.00 0.00 N ATOM 0 H HIS A 59 -3.765 -5.056 10.677 1.00 0.00 H new ATOM 0 HA HIS A 59 -3.993 -6.770 9.256 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -6.976 -6.686 9.727 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -6.186 -7.758 8.587 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -7.521 -8.105 11.963 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -4.030 -10.506 12.069 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -6.212 -9.953 13.259 1.00 0.00 H new ATOM 791 N LEU A 60 -4.108 -4.674 7.725 1.00 0.00 N ATOM 792 CA LEU A 60 -4.184 -3.840 6.562 1.00 0.00 C ATOM 793 C LEU A 60 -2.790 -3.650 5.950 1.00 0.00 C ATOM 794 O LEU A 60 -2.656 -3.272 4.785 1.00 0.00 O ATOM 795 CB LEU A 60 -4.937 -2.528 6.945 1.00 0.00 C ATOM 796 CG LEU A 60 -4.228 -1.405 7.705 1.00 0.00 C ATOM 797 CD1 LEU A 60 -3.974 -1.808 9.124 1.00 0.00 C ATOM 798 CD2 LEU A 60 -2.953 -1.002 7.058 1.00 0.00 C ATOM 0 H LEU A 60 -3.208 -4.658 8.205 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.765 -4.304 5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.317 -2.096 6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.803 -2.819 7.540 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.894 -0.542 7.686 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.469 -0.996 9.648 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.922 -2.023 9.616 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.345 -2.698 9.142 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.489 -0.203 7.635 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.279 -1.858 7.017 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.154 -0.649 6.046 1.00 0.00 H new ATOM 810 N CYS A 61 -1.761 -3.924 6.759 1.00 0.00 N ATOM 811 CA CYS A 61 -0.363 -3.803 6.345 1.00 0.00 C ATOM 812 C CYS A 61 0.520 -4.519 7.364 1.00 0.00 C ATOM 813 O CYS A 61 0.056 -4.705 8.509 1.00 0.00 O ATOM 814 CB CYS A 61 0.039 -2.322 6.237 1.00 0.00 C ATOM 815 SG CYS A 61 1.755 -2.016 5.694 1.00 0.00 S ATOM 816 OXT CYS A 61 1.653 -4.903 7.017 1.00 0.00 O ATOM 0 H CYS A 61 -1.877 -4.237 7.723 1.00 0.00 H new ATOM 0 HA CYS A 61 -0.234 -4.261 5.364 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.638 -1.829 5.540 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.106 -1.851 7.209 1.00 0.00 H new TER 821 CYS A 61