USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 746 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 Set 1.1: A 44 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.172) USER MOD Set 1.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -158:sc= -0.0697 (180deg=-0.498) USER MOD Single : A 3 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0954) USER MOD Single : A 9 LYS NZ :NH3+ -162:sc= -0.0164 (180deg=-0.35) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 16 THR OG1 : rot -170:sc=-0.00585 USER MOD Single : A 20 SER OG : rot -170:sc= -1.46 USER MOD Single : A 27 LYS NZ :NH3+ -113:sc= -3.51! (180deg=-7.4!) USER MOD Single : A 36 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.044) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.583 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0846 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -44:sc= 0.0301 USER MOD Single : A 57 LYS NZ :NH3+ -116:sc= 0.718 (180deg=-0.992) USER MOD Single : A 60 LYS NZ :NH3+ -175:sc= -5.49! (180deg=-5.81!) USER MOD Single : A 68 THR OG1 : rot 25:sc= 0.182 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0472 USER MOD Single : A 75 TYR OH : rot -132:sc= 0.415 USER MOD Single : A 82 THR OG1 : rot 138:sc= -0.9 USER MOD Single : A 84 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0921) USER MOD Single : A 85 LYS NZ :NH3+ -161:sc= -0.621 (180deg=-1.75!) USER MOD Single : A 92 SER OG : rot 41:sc= 0.123 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.150 -5.310 -10.843 1.00 0.00 N ATOM 2 CA MET A 1 -14.833 -4.638 -12.137 1.00 0.00 C ATOM 3 C MET A 1 -14.373 -3.204 -11.866 1.00 0.00 C ATOM 4 O MET A 1 -15.130 -2.380 -11.388 1.00 0.00 O ATOM 5 CB MET A 1 -16.086 -4.611 -13.019 1.00 0.00 C ATOM 6 CG MET A 1 -16.437 -6.031 -13.465 1.00 0.00 C ATOM 7 SD MET A 1 -18.049 -6.021 -14.290 1.00 0.00 S ATOM 8 CE MET A 1 -18.513 -7.729 -13.910 1.00 0.00 C ATOM 0 H1 MET A 1 -15.098 -6.341 -10.966 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.464 -5.012 -10.120 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.109 -5.045 -10.540 1.00 0.00 H new ATOM 0 HA MET A 1 -14.040 -5.186 -12.646 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.920 -4.176 -12.468 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.915 -3.978 -13.890 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.672 -6.411 -14.142 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.461 -6.699 -12.604 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.495 -7.942 -14.333 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.777 -8.410 -14.339 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.547 -7.865 -12.829 1.00 0.00 H new ATOM 17 N GLU A 2 -13.139 -2.897 -12.170 1.00 0.00 N ATOM 18 CA GLU A 2 -12.629 -1.515 -11.934 1.00 0.00 C ATOM 19 C GLU A 2 -13.023 -0.621 -13.111 1.00 0.00 C ATOM 20 O GLU A 2 -12.361 -0.593 -14.131 1.00 0.00 O ATOM 21 CB GLU A 2 -11.102 -1.545 -11.804 1.00 0.00 C ATOM 22 CG GLU A 2 -10.704 -2.336 -10.554 1.00 0.00 C ATOM 23 CD GLU A 2 -10.186 -3.716 -10.965 1.00 0.00 C ATOM 24 OE1 GLU A 2 -9.064 -3.790 -11.440 1.00 0.00 O ATOM 25 OE2 GLU A 2 -10.920 -4.676 -10.797 1.00 0.00 O ATOM 0 H GLU A 2 -12.462 -3.545 -12.572 1.00 0.00 H new ATOM 0 HA GLU A 2 -13.062 -1.121 -11.015 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.661 -2.001 -12.690 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -10.713 -0.529 -11.742 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -9.935 -1.798 -10.000 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -11.561 -2.441 -9.889 1.00 0.00 H new ATOM 32 N LYS A 3 -14.096 0.115 -12.977 1.00 0.00 N ATOM 33 CA LYS A 3 -14.535 1.012 -14.086 1.00 0.00 C ATOM 34 C LYS A 3 -13.801 2.352 -13.978 1.00 0.00 C ATOM 35 O LYS A 3 -14.104 3.294 -14.686 1.00 0.00 O ATOM 36 CB LYS A 3 -16.048 1.241 -13.986 1.00 0.00 C ATOM 37 CG LYS A 3 -16.615 1.581 -15.369 1.00 0.00 C ATOM 38 CD LYS A 3 -16.814 0.296 -16.179 1.00 0.00 C ATOM 39 CE LYS A 3 -17.678 0.593 -17.407 1.00 0.00 C ATOM 40 NZ LYS A 3 -16.935 1.494 -18.334 1.00 0.00 N ATOM 0 H LYS A 3 -14.687 0.133 -12.146 1.00 0.00 H new ATOM 0 HA LYS A 3 -14.302 0.550 -15.045 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.535 0.349 -13.593 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -16.257 2.052 -13.288 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.564 2.106 -15.264 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -15.936 2.252 -15.895 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -15.849 -0.104 -16.489 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.291 -0.465 -15.562 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -17.937 -0.336 -17.916 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -18.614 1.061 -17.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -17.437 1.546 -19.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -16.872 2.445 -17.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -15.977 1.120 -18.488 1.00 0.00 H new ATOM 54 N GLY A 4 -12.839 2.445 -13.096 1.00 0.00 N ATOM 55 CA GLY A 4 -12.083 3.721 -12.937 1.00 0.00 C ATOM 56 C GLY A 4 -12.841 4.638 -11.977 1.00 0.00 C ATOM 57 O GLY A 4 -13.809 5.271 -12.348 1.00 0.00 O ATOM 0 H GLY A 4 -12.545 1.689 -12.478 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.083 3.520 -12.553 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.961 4.208 -13.904 1.00 0.00 H new ATOM 61 N GLY A 5 -12.409 4.710 -10.747 1.00 0.00 N ATOM 62 CA GLY A 5 -13.100 5.578 -9.753 1.00 0.00 C ATOM 63 C GLY A 5 -12.840 5.029 -8.350 1.00 0.00 C ATOM 64 O GLY A 5 -13.001 5.719 -7.363 1.00 0.00 O ATOM 0 H GLY A 5 -11.602 4.201 -10.387 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.736 6.603 -9.830 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.171 5.604 -9.955 1.00 0.00 H new ATOM 68 N GLU A 6 -12.433 3.789 -8.264 1.00 0.00 N ATOM 69 CA GLU A 6 -12.151 3.174 -6.939 1.00 0.00 C ATOM 70 C GLU A 6 -10.853 2.374 -7.044 1.00 0.00 C ATOM 71 O GLU A 6 -9.790 2.860 -6.716 1.00 0.00 O ATOM 72 CB GLU A 6 -13.301 2.237 -6.551 1.00 0.00 C ATOM 73 CG GLU A 6 -14.547 3.056 -6.195 1.00 0.00 C ATOM 74 CD GLU A 6 -15.253 3.527 -7.473 1.00 0.00 C ATOM 75 OE1 GLU A 6 -15.386 2.728 -8.386 1.00 0.00 O ATOM 76 OE2 GLU A 6 -15.649 4.680 -7.517 1.00 0.00 O ATOM 0 H GLU A 6 -12.284 3.174 -9.064 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.054 3.950 -6.179 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.524 1.560 -7.376 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.007 1.619 -5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.229 2.453 -5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.265 3.916 -5.588 1.00 0.00 H new ATOM 83 N ALA A 7 -10.952 1.143 -7.481 1.00 0.00 N ATOM 84 CA ALA A 7 -9.754 0.260 -7.607 1.00 0.00 C ATOM 85 C ALA A 7 -9.515 -0.423 -6.257 1.00 0.00 C ATOM 86 O ALA A 7 -10.026 -1.497 -6.006 1.00 0.00 O ATOM 87 CB ALA A 7 -8.517 1.062 -8.037 1.00 0.00 C ATOM 0 H ALA A 7 -11.830 0.706 -7.761 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.933 -0.490 -8.377 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.661 0.393 -8.120 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.706 1.532 -9.002 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.306 1.831 -7.294 1.00 0.00 H new ATOM 93 N LEU A 8 -8.779 0.203 -5.375 1.00 0.00 N ATOM 94 CA LEU A 8 -8.544 -0.395 -4.029 1.00 0.00 C ATOM 95 C LEU A 8 -9.074 0.579 -2.974 1.00 0.00 C ATOM 96 O LEU A 8 -9.059 0.301 -1.790 1.00 0.00 O ATOM 97 CB LEU A 8 -7.046 -0.655 -3.801 1.00 0.00 C ATOM 98 CG LEU A 8 -6.191 0.483 -4.378 1.00 0.00 C ATOM 99 CD1 LEU A 8 -6.541 1.809 -3.691 1.00 0.00 C ATOM 100 CD2 LEU A 8 -4.715 0.162 -4.132 1.00 0.00 C ATOM 0 H LEU A 8 -8.330 1.105 -5.531 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.062 -1.351 -3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.850 -0.755 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.763 -1.599 -4.267 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.386 0.577 -5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.928 2.608 -4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.594 2.036 -3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.349 1.726 -2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.096 0.963 -4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.536 0.072 -3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.460 -0.777 -4.623 1.00 0.00 H new ATOM 112 N LYS A 9 -9.519 1.734 -3.412 1.00 0.00 N ATOM 113 CA LYS A 9 -10.046 2.778 -2.479 1.00 0.00 C ATOM 114 C LYS A 9 -11.023 2.162 -1.464 1.00 0.00 C ATOM 115 O LYS A 9 -11.370 0.998 -1.537 1.00 0.00 O ATOM 116 CB LYS A 9 -10.773 3.851 -3.300 1.00 0.00 C ATOM 117 CG LYS A 9 -10.888 5.146 -2.486 1.00 0.00 C ATOM 118 CD LYS A 9 -11.227 6.311 -3.419 1.00 0.00 C ATOM 119 CE LYS A 9 -11.399 7.591 -2.596 1.00 0.00 C ATOM 120 NZ LYS A 9 -12.636 7.488 -1.769 1.00 0.00 N ATOM 0 H LYS A 9 -9.539 2.000 -4.396 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.213 3.217 -1.930 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.231 4.041 -4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.766 3.497 -3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.660 5.041 -1.724 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.951 5.345 -1.965 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.435 6.443 -4.156 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.142 6.095 -3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.531 7.743 -1.954 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.462 8.455 -3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.922 8.437 -1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.399 7.067 -2.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.450 6.888 -0.940 1.00 0.00 H new ATOM 134 N GLY A 10 -11.471 2.948 -0.519 1.00 0.00 N ATOM 135 CA GLY A 10 -12.422 2.432 0.510 1.00 0.00 C ATOM 136 C GLY A 10 -11.627 1.851 1.680 1.00 0.00 C ATOM 137 O GLY A 10 -12.171 1.555 2.726 1.00 0.00 O ATOM 0 H GLY A 10 -11.217 3.931 -0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.071 3.235 0.859 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.066 1.667 0.077 1.00 0.00 H new ATOM 141 N LEU A 11 -10.341 1.688 1.505 1.00 0.00 N ATOM 142 CA LEU A 11 -9.489 1.128 2.595 1.00 0.00 C ATOM 143 C LEU A 11 -8.325 2.081 2.870 1.00 0.00 C ATOM 144 O LEU A 11 -8.158 3.090 2.208 1.00 0.00 O ATOM 145 CB LEU A 11 -8.945 -0.239 2.167 1.00 0.00 C ATOM 146 CG LEU A 11 -9.962 -1.330 2.516 1.00 0.00 C ATOM 147 CD1 LEU A 11 -9.802 -2.508 1.552 1.00 0.00 C ATOM 148 CD2 LEU A 11 -9.729 -1.809 3.953 1.00 0.00 C ATOM 0 H LEU A 11 -9.841 1.921 0.647 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.084 1.012 3.501 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.746 -0.243 1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.998 -0.438 2.668 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.970 -0.925 2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.526 -3.283 1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.972 -2.168 0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.793 -2.913 1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.453 -2.585 4.200 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.720 -2.212 4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.847 -0.971 4.640 1.00 0.00 H new ATOM 160 N THR A 12 -7.524 1.764 3.849 1.00 0.00 N ATOM 161 CA THR A 12 -6.367 2.637 4.191 1.00 0.00 C ATOM 162 C THR A 12 -5.100 1.784 4.265 1.00 0.00 C ATOM 163 O THR A 12 -5.146 0.620 4.610 1.00 0.00 O ATOM 164 CB THR A 12 -6.630 3.299 5.549 1.00 0.00 C ATOM 165 OG1 THR A 12 -7.658 4.269 5.405 1.00 0.00 O ATOM 166 CG2 THR A 12 -5.356 3.978 6.062 1.00 0.00 C ATOM 0 H THR A 12 -7.622 0.932 4.431 1.00 0.00 H new ATOM 0 HA THR A 12 -6.237 3.407 3.430 1.00 0.00 H new ATOM 0 HB THR A 12 -6.937 2.537 6.265 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.831 4.694 6.271 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.556 4.444 7.027 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.567 3.234 6.175 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.037 4.739 5.350 1.00 0.00 H new ATOM 174 N PHE A 13 -3.971 2.357 3.944 1.00 0.00 N ATOM 175 CA PHE A 13 -2.692 1.592 3.995 1.00 0.00 C ATOM 176 C PHE A 13 -1.723 2.308 4.941 1.00 0.00 C ATOM 177 O PHE A 13 -1.634 3.521 4.947 1.00 0.00 O ATOM 178 CB PHE A 13 -2.085 1.523 2.591 1.00 0.00 C ATOM 179 CG PHE A 13 -2.867 0.545 1.737 1.00 0.00 C ATOM 180 CD1 PHE A 13 -2.694 -0.836 1.910 1.00 0.00 C ATOM 181 CD2 PHE A 13 -3.754 1.019 0.762 1.00 0.00 C ATOM 182 CE1 PHE A 13 -3.408 -1.737 1.111 1.00 0.00 C ATOM 183 CE2 PHE A 13 -4.466 0.115 -0.037 1.00 0.00 C ATOM 184 CZ PHE A 13 -4.291 -1.262 0.136 1.00 0.00 C ATOM 0 H PHE A 13 -3.880 3.328 3.647 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.877 0.580 4.356 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.098 2.511 2.131 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.042 1.213 2.651 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.010 -1.205 2.660 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.889 2.082 0.626 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.277 -2.800 1.248 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.151 0.482 -0.787 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.838 -1.958 -0.483 1.00 0.00 H new ATOM 194 N VAL A 14 -1.008 1.570 5.753 1.00 0.00 N ATOM 195 CA VAL A 14 -0.056 2.212 6.711 1.00 0.00 C ATOM 196 C VAL A 14 1.307 1.520 6.638 1.00 0.00 C ATOM 197 O VAL A 14 1.417 0.369 6.264 1.00 0.00 O ATOM 198 CB VAL A 14 -0.633 2.114 8.137 1.00 0.00 C ATOM 199 CG1 VAL A 14 0.456 1.729 9.147 1.00 0.00 C ATOM 200 CG2 VAL A 14 -1.237 3.462 8.540 1.00 0.00 C ATOM 0 H VAL A 14 -1.042 0.551 5.794 1.00 0.00 H new ATOM 0 HA VAL A 14 0.078 3.261 6.448 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.402 1.341 8.141 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.021 1.667 10.145 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.879 0.762 8.875 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.242 2.484 9.140 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.645 3.391 9.548 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.463 4.230 8.514 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.034 3.726 7.844 1.00 0.00 H new ATOM 210 N ILE A 15 2.343 2.222 7.012 1.00 0.00 N ATOM 211 CA ILE A 15 3.714 1.631 6.998 1.00 0.00 C ATOM 212 C ILE A 15 4.280 1.689 8.421 1.00 0.00 C ATOM 213 O ILE A 15 4.257 2.725 9.058 1.00 0.00 O ATOM 214 CB ILE A 15 4.627 2.420 6.042 1.00 0.00 C ATOM 215 CG1 ILE A 15 3.961 3.748 5.640 1.00 0.00 C ATOM 216 CG2 ILE A 15 4.905 1.583 4.788 1.00 0.00 C ATOM 217 CD1 ILE A 15 2.913 3.508 4.546 1.00 0.00 C ATOM 0 H ILE A 15 2.298 3.190 7.330 1.00 0.00 H new ATOM 0 HA ILE A 15 3.666 0.598 6.652 1.00 0.00 H new ATOM 0 HB ILE A 15 5.566 2.637 6.551 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.490 4.205 6.510 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.716 4.448 5.282 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.551 2.143 4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.397 0.653 5.073 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.964 1.357 4.286 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.450 4.456 4.271 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.394 3.072 3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.149 2.825 4.918 1.00 0.00 H new ATOM 229 N THR A 16 4.768 0.586 8.936 1.00 0.00 N ATOM 230 CA THR A 16 5.314 0.575 10.326 1.00 0.00 C ATOM 231 C THR A 16 6.551 1.477 10.412 1.00 0.00 C ATOM 232 O THR A 16 7.669 1.014 10.324 1.00 0.00 O ATOM 233 CB THR A 16 5.684 -0.872 10.705 1.00 0.00 C ATOM 234 OG1 THR A 16 4.513 -1.561 11.121 1.00 0.00 O ATOM 235 CG2 THR A 16 6.709 -0.879 11.845 1.00 0.00 C ATOM 0 H THR A 16 4.811 -0.310 8.450 1.00 0.00 H new ATOM 0 HA THR A 16 4.563 0.954 11.019 1.00 0.00 H new ATOM 0 HB THR A 16 6.119 -1.366 9.836 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.763 -2.425 11.511 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.961 -1.908 12.102 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.610 -0.354 11.528 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.286 -0.380 12.717 1.00 0.00 H new ATOM 243 N GLY A 17 6.351 2.762 10.596 1.00 0.00 N ATOM 244 CA GLY A 17 7.506 3.708 10.702 1.00 0.00 C ATOM 245 C GLY A 17 8.356 3.640 9.431 1.00 0.00 C ATOM 246 O GLY A 17 8.373 4.556 8.631 1.00 0.00 O ATOM 0 H GLY A 17 5.432 3.197 10.678 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.142 4.724 10.852 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.115 3.456 11.570 1.00 0.00 H new ATOM 250 N GLU A 18 9.044 2.549 9.236 1.00 0.00 N ATOM 251 CA GLU A 18 9.882 2.381 8.022 1.00 0.00 C ATOM 252 C GLU A 18 9.921 0.896 7.661 1.00 0.00 C ATOM 253 O GLU A 18 10.649 0.122 8.252 1.00 0.00 O ATOM 254 CB GLU A 18 11.304 2.886 8.295 1.00 0.00 C ATOM 255 CG GLU A 18 11.358 4.403 8.097 1.00 0.00 C ATOM 256 CD GLU A 18 12.818 4.860 8.025 1.00 0.00 C ATOM 257 OE1 GLU A 18 13.472 4.537 7.046 1.00 0.00 O ATOM 258 OE2 GLU A 18 13.255 5.528 8.947 1.00 0.00 O ATOM 0 H GLU A 18 9.059 1.757 9.878 1.00 0.00 H new ATOM 0 HA GLU A 18 9.460 2.955 7.197 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.602 2.631 9.312 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.010 2.396 7.624 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.834 4.679 7.182 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.849 4.906 8.920 1.00 0.00 H new ATOM 265 N LEU A 19 9.130 0.492 6.703 1.00 0.00 N ATOM 266 CA LEU A 19 9.103 -0.946 6.308 1.00 0.00 C ATOM 267 C LEU A 19 10.466 -1.368 5.750 1.00 0.00 C ATOM 268 O LEU A 19 10.657 -2.515 5.406 1.00 0.00 O ATOM 269 CB LEU A 19 8.036 -1.162 5.229 1.00 0.00 C ATOM 270 CG LEU A 19 6.799 -1.811 5.848 1.00 0.00 C ATOM 271 CD1 LEU A 19 6.203 -0.879 6.903 1.00 0.00 C ATOM 272 CD2 LEU A 19 5.762 -2.077 4.755 1.00 0.00 C ATOM 0 H LEU A 19 8.500 1.097 6.176 1.00 0.00 H new ATOM 0 HA LEU A 19 8.871 -1.546 7.188 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.768 -0.209 4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.432 -1.795 4.435 1.00 0.00 H new ATOM 0 HG LEU A 19 7.081 -2.753 6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.321 -1.344 7.343 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.942 -0.692 7.683 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.921 0.065 6.437 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.879 -2.540 5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.481 -1.135 4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.186 -2.745 4.006 1.00 0.00 H new ATOM 284 N SER A 20 11.396 -0.445 5.620 1.00 0.00 N ATOM 285 CA SER A 20 12.744 -0.767 5.046 1.00 0.00 C ATOM 286 C SER A 20 12.659 -0.639 3.524 1.00 0.00 C ATOM 287 O SER A 20 13.261 -1.389 2.781 1.00 0.00 O ATOM 288 CB SER A 20 13.202 -2.177 5.438 1.00 0.00 C ATOM 289 OG SER A 20 12.985 -2.369 6.830 1.00 0.00 O ATOM 0 H SER A 20 11.274 0.531 5.892 1.00 0.00 H new ATOM 0 HA SER A 20 13.480 -0.070 5.446 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.651 -2.923 4.866 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.258 -2.308 5.201 1.00 0.00 H new ATOM 0 HG SER A 20 13.417 -3.201 7.117 1.00 0.00 H new ATOM 295 N ARG A 21 11.900 0.322 3.072 1.00 0.00 N ATOM 296 CA ARG A 21 11.729 0.552 1.609 1.00 0.00 C ATOM 297 C ARG A 21 11.400 2.037 1.398 1.00 0.00 C ATOM 298 O ARG A 21 11.254 2.774 2.354 1.00 0.00 O ATOM 299 CB ARG A 21 10.571 -0.321 1.103 1.00 0.00 C ATOM 300 CG ARG A 21 11.116 -1.424 0.192 1.00 0.00 C ATOM 301 CD ARG A 21 9.952 -2.230 -0.392 1.00 0.00 C ATOM 302 NE ARG A 21 9.125 -1.351 -1.268 1.00 0.00 N ATOM 303 CZ ARG A 21 9.365 -1.289 -2.550 1.00 0.00 C ATOM 304 NH1 ARG A 21 9.272 -2.364 -3.285 1.00 0.00 N ATOM 305 NH2 ARG A 21 9.697 -0.154 -3.096 1.00 0.00 N ATOM 0 H ARG A 21 11.382 0.969 3.666 1.00 0.00 H new ATOM 0 HA ARG A 21 12.636 0.292 1.062 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.040 -0.762 1.947 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.852 0.291 0.559 1.00 0.00 H new ATOM 0 HG2 ARG A 21 11.708 -0.986 -0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 21 11.779 -2.080 0.755 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.333 -3.076 -0.964 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.340 -2.639 0.412 1.00 0.00 H new ATOM 0 HE ARG A 21 8.370 -0.797 -0.865 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.012 -3.253 -2.858 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.460 -2.315 -4.286 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.769 0.686 -2.522 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.885 -0.105 -4.097 1.00 0.00 H new ATOM 319 N PRO A 22 11.276 2.483 0.169 1.00 0.00 N ATOM 320 CA PRO A 22 10.946 3.907 -0.125 1.00 0.00 C ATOM 321 C PRO A 22 9.487 4.227 0.233 1.00 0.00 C ATOM 322 O PRO A 22 8.779 4.883 -0.505 1.00 0.00 O ATOM 323 CB PRO A 22 11.198 4.042 -1.628 1.00 0.00 C ATOM 324 CG PRO A 22 11.040 2.665 -2.182 1.00 0.00 C ATOM 325 CD PRO A 22 11.432 1.693 -1.066 1.00 0.00 C ATOM 0 HA PRO A 22 11.544 4.605 0.461 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.489 4.733 -2.085 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.196 4.433 -1.825 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.012 2.492 -2.502 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.674 2.525 -3.057 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.789 0.813 -1.060 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.456 1.339 -1.187 1.00 0.00 H new ATOM 333 N ARG A 23 9.041 3.711 1.354 1.00 0.00 N ATOM 334 CA ARG A 23 7.627 3.902 1.808 1.00 0.00 C ATOM 335 C ARG A 23 7.151 5.347 1.597 1.00 0.00 C ATOM 336 O ARG A 23 5.968 5.606 1.593 1.00 0.00 O ATOM 337 CB ARG A 23 7.527 3.555 3.297 1.00 0.00 C ATOM 338 CG ARG A 23 8.652 4.252 4.070 1.00 0.00 C ATOM 339 CD ARG A 23 8.141 4.687 5.446 1.00 0.00 C ATOM 340 NE ARG A 23 7.090 5.730 5.282 1.00 0.00 N ATOM 341 CZ ARG A 23 6.761 6.489 6.293 1.00 0.00 C ATOM 342 NH1 ARG A 23 5.965 6.032 7.221 1.00 0.00 N ATOM 343 NH2 ARG A 23 7.228 7.703 6.376 1.00 0.00 N ATOM 0 H ARG A 23 9.612 3.152 1.988 1.00 0.00 H new ATOM 0 HA ARG A 23 6.991 3.246 1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.558 3.866 3.688 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.594 2.476 3.433 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.501 3.577 4.183 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.006 5.119 3.512 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.736 3.829 5.982 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.964 5.077 6.044 1.00 0.00 H new ATOM 0 HE ARG A 23 6.628 5.851 4.381 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.600 5.082 7.157 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.708 6.625 8.010 1.00 0.00 H new ATOM 0 HH21 ARG A 23 7.850 8.061 5.651 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.971 8.295 7.166 1.00 0.00 H new ATOM 357 N GLU A 24 8.042 6.280 1.389 1.00 0.00 N ATOM 358 CA GLU A 24 7.599 7.685 1.146 1.00 0.00 C ATOM 359 C GLU A 24 7.193 7.817 -0.326 1.00 0.00 C ATOM 360 O GLU A 24 6.122 8.292 -0.653 1.00 0.00 O ATOM 361 CB GLU A 24 8.750 8.651 1.453 1.00 0.00 C ATOM 362 CG GLU A 24 9.202 8.473 2.907 1.00 0.00 C ATOM 363 CD GLU A 24 8.384 9.397 3.815 1.00 0.00 C ATOM 364 OE1 GLU A 24 7.229 9.089 4.053 1.00 0.00 O ATOM 365 OE2 GLU A 24 8.928 10.396 4.254 1.00 0.00 O ATOM 0 H GLU A 24 9.051 6.132 1.377 1.00 0.00 H new ATOM 0 HA GLU A 24 6.755 7.928 1.791 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.585 8.464 0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.429 9.679 1.285 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.072 7.435 3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.264 8.702 2.999 1.00 0.00 H new ATOM 372 N GLU A 25 8.059 7.392 -1.207 1.00 0.00 N ATOM 373 CA GLU A 25 7.758 7.477 -2.667 1.00 0.00 C ATOM 374 C GLU A 25 6.455 6.718 -2.962 1.00 0.00 C ATOM 375 O GLU A 25 5.545 7.244 -3.579 1.00 0.00 O ATOM 376 CB GLU A 25 8.932 6.893 -3.479 1.00 0.00 C ATOM 377 CG GLU A 25 8.682 5.419 -3.833 1.00 0.00 C ATOM 378 CD GLU A 25 9.841 4.882 -4.683 1.00 0.00 C ATOM 379 OE1 GLU A 25 10.964 5.305 -4.464 1.00 0.00 O ATOM 380 OE2 GLU A 25 9.582 4.051 -5.539 1.00 0.00 O ATOM 0 H GLU A 25 8.967 6.987 -0.977 1.00 0.00 H new ATOM 0 HA GLU A 25 7.629 8.520 -2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.069 7.471 -4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.854 6.981 -2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.584 4.829 -2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.744 5.321 -4.379 1.00 0.00 H new ATOM 387 N VAL A 26 6.354 5.488 -2.524 1.00 0.00 N ATOM 388 CA VAL A 26 5.111 4.705 -2.779 1.00 0.00 C ATOM 389 C VAL A 26 3.946 5.339 -2.016 1.00 0.00 C ATOM 390 O VAL A 26 2.809 5.259 -2.437 1.00 0.00 O ATOM 391 CB VAL A 26 5.310 3.253 -2.325 1.00 0.00 C ATOM 392 CG1 VAL A 26 5.644 3.214 -0.831 1.00 0.00 C ATOM 393 CG2 VAL A 26 4.028 2.452 -2.580 1.00 0.00 C ATOM 0 H VAL A 26 7.078 4.995 -2.002 1.00 0.00 H new ATOM 0 HA VAL A 26 4.888 4.713 -3.846 1.00 0.00 H new ATOM 0 HB VAL A 26 6.133 2.815 -2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.784 2.180 -0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.560 3.776 -0.648 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.826 3.658 -0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.173 1.421 -2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.204 2.896 -2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.794 2.469 -3.644 1.00 0.00 H new ATOM 403 N LYS A 27 4.217 5.976 -0.902 1.00 0.00 N ATOM 404 CA LYS A 27 3.118 6.623 -0.126 1.00 0.00 C ATOM 405 C LYS A 27 2.465 7.696 -0.997 1.00 0.00 C ATOM 406 O LYS A 27 1.256 7.816 -1.050 1.00 0.00 O ATOM 407 CB LYS A 27 3.680 7.269 1.147 1.00 0.00 C ATOM 408 CG LYS A 27 3.486 6.324 2.340 1.00 0.00 C ATOM 409 CD LYS A 27 2.032 6.382 2.820 1.00 0.00 C ATOM 410 CE LYS A 27 1.253 5.183 2.264 1.00 0.00 C ATOM 411 NZ LYS A 27 0.243 4.735 3.264 1.00 0.00 N ATOM 0 H LYS A 27 5.149 6.074 -0.500 1.00 0.00 H new ATOM 0 HA LYS A 27 2.382 5.871 0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.739 7.491 1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.177 8.217 1.337 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.743 5.304 2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.157 6.606 3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.999 6.376 3.909 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.568 7.312 2.492 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.759 5.458 1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.938 4.367 2.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.501 3.792 3.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.217 5.408 4.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.694 4.692 2.815 1.00 0.00 H new ATOM 425 N ALA A 28 3.261 8.467 -1.694 1.00 0.00 N ATOM 426 CA ALA A 28 2.695 9.525 -2.580 1.00 0.00 C ATOM 427 C ALA A 28 1.885 8.852 -3.690 1.00 0.00 C ATOM 428 O ALA A 28 0.897 9.379 -4.161 1.00 0.00 O ATOM 429 CB ALA A 28 3.833 10.339 -3.197 1.00 0.00 C ATOM 0 H ALA A 28 4.279 8.408 -1.687 1.00 0.00 H new ATOM 0 HA ALA A 28 2.054 10.191 -2.003 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.418 11.112 -3.844 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.418 10.805 -2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.475 9.681 -3.783 1.00 0.00 H new ATOM 435 N LEU A 29 2.295 7.677 -4.094 1.00 0.00 N ATOM 436 CA LEU A 29 1.551 6.946 -5.159 1.00 0.00 C ATOM 437 C LEU A 29 0.365 6.210 -4.526 1.00 0.00 C ATOM 438 O LEU A 29 -0.633 5.948 -5.170 1.00 0.00 O ATOM 439 CB LEU A 29 2.486 5.933 -5.834 1.00 0.00 C ATOM 440 CG LEU A 29 2.699 6.322 -7.301 1.00 0.00 C ATOM 441 CD1 LEU A 29 3.585 7.568 -7.380 1.00 0.00 C ATOM 442 CD2 LEU A 29 3.377 5.166 -8.044 1.00 0.00 C ATOM 0 H LEU A 29 3.115 7.192 -3.730 1.00 0.00 H new ATOM 0 HA LEU A 29 1.188 7.652 -5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.443 5.904 -5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.059 4.932 -5.772 1.00 0.00 H new ATOM 0 HG LEU A 29 1.734 6.535 -7.761 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.735 7.842 -8.424 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.102 8.392 -6.854 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.550 7.358 -6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.528 5.443 -9.087 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.341 4.952 -7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.745 4.280 -7.992 1.00 0.00 H new ATOM 454 N LEU A 30 0.475 5.875 -3.266 1.00 0.00 N ATOM 455 CA LEU A 30 -0.629 5.154 -2.571 1.00 0.00 C ATOM 456 C LEU A 30 -1.826 6.094 -2.398 1.00 0.00 C ATOM 457 O LEU A 30 -2.941 5.768 -2.761 1.00 0.00 O ATOM 458 CB LEU A 30 -0.137 4.689 -1.194 1.00 0.00 C ATOM 459 CG LEU A 30 -0.403 3.192 -1.014 1.00 0.00 C ATOM 460 CD1 LEU A 30 0.107 2.747 0.359 1.00 0.00 C ATOM 461 CD2 LEU A 30 -1.907 2.919 -1.112 1.00 0.00 C ATOM 0 H LEU A 30 1.290 6.073 -2.686 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.933 4.290 -3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.929 4.891 -1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.643 5.252 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 30 0.116 2.636 -1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.081 1.681 0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.178 2.937 0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.412 3.305 1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.092 1.853 -0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.429 3.475 -0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.271 3.235 -2.089 1.00 0.00 H new ATOM 473 N ARG A 31 -1.600 7.262 -1.850 1.00 0.00 N ATOM 474 CA ARG A 31 -2.717 8.234 -1.657 1.00 0.00 C ATOM 475 C ARG A 31 -3.321 8.575 -3.018 1.00 0.00 C ATOM 476 O ARG A 31 -4.524 8.611 -3.186 1.00 0.00 O ATOM 477 CB ARG A 31 -2.180 9.509 -0.995 1.00 0.00 C ATOM 478 CG ARG A 31 -3.347 10.436 -0.634 1.00 0.00 C ATOM 479 CD ARG A 31 -2.881 11.482 0.384 1.00 0.00 C ATOM 480 NE ARG A 31 -1.597 12.088 -0.073 1.00 0.00 N ATOM 481 CZ ARG A 31 -0.644 12.326 0.789 1.00 0.00 C ATOM 482 NH1 ARG A 31 -0.677 13.411 1.514 1.00 0.00 N ATOM 483 NH2 ARG A 31 0.340 11.481 0.921 1.00 0.00 N ATOM 0 H ARG A 31 -0.687 7.584 -1.528 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.482 7.795 -1.016 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.615 9.254 -0.098 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.493 10.019 -1.670 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.723 10.929 -1.530 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.171 9.855 -0.221 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.640 12.256 0.498 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.748 11.019 1.362 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.463 12.317 -1.058 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.446 14.072 1.408 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.066 13.597 2.187 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.366 10.635 0.352 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.084 11.666 1.594 1.00 0.00 H new ATOM 497 N ARG A 32 -2.481 8.809 -3.990 1.00 0.00 N ATOM 498 CA ARG A 32 -2.984 9.128 -5.356 1.00 0.00 C ATOM 499 C ARG A 32 -3.970 8.036 -5.779 1.00 0.00 C ATOM 500 O ARG A 32 -4.923 8.283 -6.491 1.00 0.00 O ATOM 501 CB ARG A 32 -1.810 9.169 -6.339 1.00 0.00 C ATOM 502 CG ARG A 32 -2.307 9.619 -7.716 1.00 0.00 C ATOM 503 CD ARG A 32 -1.142 9.619 -8.709 1.00 0.00 C ATOM 504 NE ARG A 32 -1.675 9.651 -10.100 1.00 0.00 N ATOM 505 CZ ARG A 32 -2.061 10.782 -10.627 1.00 0.00 C ATOM 506 NH1 ARG A 32 -1.180 11.589 -11.152 1.00 0.00 N ATOM 507 NH2 ARG A 32 -3.325 11.105 -10.625 1.00 0.00 N ATOM 0 H ARG A 32 -1.465 8.793 -3.896 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.480 10.099 -5.354 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.043 9.854 -5.977 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.349 8.184 -6.412 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.095 8.952 -8.065 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.741 10.617 -7.649 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.501 10.483 -8.534 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.527 8.731 -8.564 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.738 8.789 -10.641 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.192 11.336 -11.150 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.480 12.473 -11.564 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.012 10.474 -10.212 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.626 11.988 -11.037 1.00 0.00 H new ATOM 521 N LEU A 33 -3.726 6.825 -5.348 1.00 0.00 N ATOM 522 CA LEU A 33 -4.617 5.687 -5.714 1.00 0.00 C ATOM 523 C LEU A 33 -5.965 5.788 -4.981 1.00 0.00 C ATOM 524 O LEU A 33 -6.726 4.841 -4.942 1.00 0.00 O ATOM 525 CB LEU A 33 -3.917 4.374 -5.340 1.00 0.00 C ATOM 526 CG LEU A 33 -4.390 3.224 -6.249 1.00 0.00 C ATOM 527 CD1 LEU A 33 -4.510 3.694 -7.704 1.00 0.00 C ATOM 528 CD2 LEU A 33 -3.373 2.083 -6.181 1.00 0.00 C ATOM 0 H LEU A 33 -2.938 6.575 -4.751 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.814 5.717 -6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.837 4.494 -5.430 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.125 4.129 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.368 2.888 -5.905 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.845 2.865 -8.328 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.231 4.509 -7.765 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.539 4.042 -8.055 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.701 1.265 -6.822 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.401 2.442 -6.519 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.292 1.729 -5.153 1.00 0.00 H new ATOM 540 N GLY A 34 -6.281 6.931 -4.424 1.00 0.00 N ATOM 541 CA GLY A 34 -7.594 7.092 -3.727 1.00 0.00 C ATOM 542 C GLY A 34 -7.511 6.616 -2.271 1.00 0.00 C ATOM 543 O GLY A 34 -7.898 7.325 -1.363 1.00 0.00 O ATOM 0 H GLY A 34 -5.686 7.760 -4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.897 8.139 -3.753 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.361 6.525 -4.255 1.00 0.00 H new ATOM 547 N ALA A 35 -7.033 5.418 -2.043 1.00 0.00 N ATOM 548 CA ALA A 35 -6.948 4.891 -0.643 1.00 0.00 C ATOM 549 C ALA A 35 -6.236 5.899 0.268 1.00 0.00 C ATOM 550 O ALA A 35 -5.365 6.631 -0.161 1.00 0.00 O ATOM 551 CB ALA A 35 -6.173 3.571 -0.645 1.00 0.00 C ATOM 0 H ALA A 35 -6.697 4.781 -2.765 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.958 4.729 -0.265 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.109 3.185 0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.689 2.847 -1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.168 3.740 -1.033 1.00 0.00 H new ATOM 557 N LYS A 36 -6.602 5.936 1.526 1.00 0.00 N ATOM 558 CA LYS A 36 -5.951 6.890 2.475 1.00 0.00 C ATOM 559 C LYS A 36 -4.571 6.354 2.857 1.00 0.00 C ATOM 560 O LYS A 36 -4.310 5.170 2.753 1.00 0.00 O ATOM 561 CB LYS A 36 -6.813 7.030 3.733 1.00 0.00 C ATOM 562 CG LYS A 36 -6.564 8.397 4.382 1.00 0.00 C ATOM 563 CD LYS A 36 -7.644 9.387 3.932 1.00 0.00 C ATOM 564 CE LYS A 36 -7.131 10.821 4.097 1.00 0.00 C ATOM 565 NZ LYS A 36 -6.968 11.130 5.546 1.00 0.00 N ATOM 0 H LYS A 36 -7.325 5.345 1.937 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.847 7.866 2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.867 6.925 3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.576 6.233 4.438 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.574 8.302 5.468 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.578 8.768 4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.909 9.203 2.891 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.550 9.245 4.521 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.179 10.939 3.580 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.830 11.523 3.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.718 12.133 5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.860 10.936 6.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.212 10.537 5.945 1.00 0.00 H new ATOM 579 N VAL A 37 -3.678 7.210 3.286 1.00 0.00 N ATOM 580 CA VAL A 37 -2.311 6.744 3.658 1.00 0.00 C ATOM 581 C VAL A 37 -1.975 7.179 5.085 1.00 0.00 C ATOM 582 O VAL A 37 -2.502 8.152 5.590 1.00 0.00 O ATOM 583 CB VAL A 37 -1.297 7.358 2.692 1.00 0.00 C ATOM 584 CG1 VAL A 37 -1.524 6.794 1.289 1.00 0.00 C ATOM 585 CG2 VAL A 37 -1.466 8.881 2.662 1.00 0.00 C ATOM 0 H VAL A 37 -3.838 8.211 3.394 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.274 5.656 3.601 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.289 7.114 3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.802 7.231 0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.399 5.711 1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.534 7.037 0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.741 9.314 1.972 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.475 9.129 2.331 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.302 9.285 3.661 1.00 0.00 H new ATOM 595 N THR A 38 -1.088 6.466 5.733 1.00 0.00 N ATOM 596 CA THR A 38 -0.690 6.822 7.130 1.00 0.00 C ATOM 597 C THR A 38 0.485 5.931 7.552 1.00 0.00 C ATOM 598 O THR A 38 1.073 5.241 6.740 1.00 0.00 O ATOM 599 CB THR A 38 -1.875 6.605 8.087 1.00 0.00 C ATOM 600 OG1 THR A 38 -2.954 6.000 7.384 1.00 0.00 O ATOM 601 CG2 THR A 38 -2.329 7.950 8.662 1.00 0.00 C ATOM 0 H THR A 38 -0.618 5.645 5.351 1.00 0.00 H new ATOM 0 HA THR A 38 -0.395 7.870 7.170 1.00 0.00 H new ATOM 0 HB THR A 38 -1.562 5.952 8.902 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.707 5.862 7.996 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.168 7.792 9.339 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.505 8.409 9.207 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.638 8.608 7.849 1.00 0.00 H new ATOM 609 N ASP A 39 0.834 5.932 8.811 1.00 0.00 N ATOM 610 CA ASP A 39 1.971 5.077 9.269 1.00 0.00 C ATOM 611 C ASP A 39 1.776 4.671 10.737 1.00 0.00 C ATOM 612 O ASP A 39 2.628 4.033 11.324 1.00 0.00 O ATOM 613 CB ASP A 39 3.284 5.850 9.118 1.00 0.00 C ATOM 614 CG ASP A 39 3.188 7.176 9.877 1.00 0.00 C ATOM 615 OD1 ASP A 39 2.702 8.133 9.297 1.00 0.00 O ATOM 616 OD2 ASP A 39 3.599 7.211 11.026 1.00 0.00 O ATOM 0 H ASP A 39 0.384 6.485 9.540 1.00 0.00 H new ATOM 0 HA ASP A 39 2.005 4.175 8.658 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.113 5.257 9.504 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.489 6.037 8.064 1.00 0.00 H new ATOM 621 N SER A 40 0.666 5.032 11.334 1.00 0.00 N ATOM 622 CA SER A 40 0.423 4.666 12.761 1.00 0.00 C ATOM 623 C SER A 40 -0.874 3.859 12.861 1.00 0.00 C ATOM 624 O SER A 40 -1.561 3.649 11.879 1.00 0.00 O ATOM 625 CB SER A 40 0.297 5.942 13.597 1.00 0.00 C ATOM 626 OG SER A 40 -0.769 6.735 13.091 1.00 0.00 O ATOM 0 H SER A 40 -0.083 5.565 10.892 1.00 0.00 H new ATOM 0 HA SER A 40 1.254 4.068 13.134 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.113 5.689 14.641 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.230 6.504 13.565 1.00 0.00 H new ATOM 0 HG SER A 40 -0.852 7.552 13.626 1.00 0.00 H new ATOM 632 N VAL A 41 -1.213 3.402 14.040 1.00 0.00 N ATOM 633 CA VAL A 41 -2.464 2.604 14.204 1.00 0.00 C ATOM 634 C VAL A 41 -3.132 2.957 15.535 1.00 0.00 C ATOM 635 O VAL A 41 -2.473 3.214 16.523 1.00 0.00 O ATOM 636 CB VAL A 41 -2.130 1.108 14.187 1.00 0.00 C ATOM 637 CG1 VAL A 41 -1.619 0.710 12.800 1.00 0.00 C ATOM 638 CG2 VAL A 41 -1.050 0.806 15.232 1.00 0.00 C ATOM 0 H VAL A 41 -0.677 3.547 14.896 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.143 2.835 13.383 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.030 0.539 14.421 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.382 -0.354 12.791 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.388 0.917 12.056 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.722 1.283 12.564 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.816 -0.258 15.216 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.151 1.379 15.002 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.414 1.083 16.222 1.00 0.00 H new ATOM 648 N SER A 42 -4.438 2.970 15.562 1.00 0.00 N ATOM 649 CA SER A 42 -5.163 3.302 16.821 1.00 0.00 C ATOM 650 C SER A 42 -6.419 2.434 16.924 1.00 0.00 C ATOM 651 O SER A 42 -6.745 1.921 17.977 1.00 0.00 O ATOM 652 CB SER A 42 -5.565 4.779 16.805 1.00 0.00 C ATOM 653 OG SER A 42 -6.430 5.021 15.702 1.00 0.00 O ATOM 0 H SER A 42 -5.036 2.764 14.762 1.00 0.00 H new ATOM 0 HA SER A 42 -4.515 3.112 17.677 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.065 5.041 17.738 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.678 5.408 16.731 1.00 0.00 H new ATOM 0 HG SER A 42 -6.690 5.966 15.691 1.00 0.00 H new ATOM 659 N ARG A 43 -7.118 2.270 15.832 1.00 0.00 N ATOM 660 CA ARG A 43 -8.359 1.441 15.829 1.00 0.00 C ATOM 661 C ARG A 43 -8.957 1.483 14.422 1.00 0.00 C ATOM 662 O ARG A 43 -8.984 0.495 13.714 1.00 0.00 O ATOM 663 CB ARG A 43 -9.368 2.011 16.838 1.00 0.00 C ATOM 664 CG ARG A 43 -10.737 1.348 16.640 1.00 0.00 C ATOM 665 CD ARG A 43 -11.601 1.574 17.882 1.00 0.00 C ATOM 666 NE ARG A 43 -11.863 3.034 18.045 1.00 0.00 N ATOM 667 CZ ARG A 43 -12.287 3.503 19.188 1.00 0.00 C ATOM 668 NH1 ARG A 43 -12.910 2.723 20.029 1.00 0.00 N ATOM 669 NH2 ARG A 43 -12.091 4.758 19.491 1.00 0.00 N ATOM 0 H ARG A 43 -6.878 2.681 14.930 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.126 0.414 16.110 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.015 1.839 17.855 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.455 3.090 16.709 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.230 1.764 15.761 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.613 0.280 16.461 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.542 1.033 17.787 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.096 1.183 18.766 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.710 3.668 17.261 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -13.067 1.743 19.795 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.239 3.094 20.920 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.607 5.371 18.835 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.422 5.125 20.383 1.00 0.00 H new ATOM 683 N LYS A 44 -9.427 2.632 14.017 1.00 0.00 N ATOM 684 CA LYS A 44 -10.021 2.769 12.654 1.00 0.00 C ATOM 685 C LYS A 44 -8.918 2.596 11.602 1.00 0.00 C ATOM 686 O LYS A 44 -9.185 2.482 10.421 1.00 0.00 O ATOM 687 CB LYS A 44 -10.662 4.154 12.509 1.00 0.00 C ATOM 688 CG LYS A 44 -9.650 5.240 12.889 1.00 0.00 C ATOM 689 CD LYS A 44 -10.252 6.622 12.614 1.00 0.00 C ATOM 690 CE LYS A 44 -9.346 7.705 13.202 1.00 0.00 C ATOM 691 NZ LYS A 44 -8.040 7.706 12.484 1.00 0.00 N ATOM 0 H LYS A 44 -9.425 3.487 14.574 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.785 2.005 12.509 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.000 4.302 11.483 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.542 4.226 13.148 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.384 5.151 13.942 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.731 5.112 12.316 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.366 6.773 11.540 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.248 6.690 13.053 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.823 8.681 13.112 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.188 7.524 14.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.491 8.544 12.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.509 6.846 12.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.208 7.729 11.458 1.00 0.00 H new ATOM 705 N THR A 45 -7.681 2.572 12.031 1.00 0.00 N ATOM 706 CA THR A 45 -6.545 2.406 11.076 1.00 0.00 C ATOM 707 C THR A 45 -5.703 1.200 11.497 1.00 0.00 C ATOM 708 O THR A 45 -4.927 1.267 12.430 1.00 0.00 O ATOM 709 CB THR A 45 -5.680 3.671 11.093 1.00 0.00 C ATOM 710 OG1 THR A 45 -6.506 4.809 10.890 1.00 0.00 O ATOM 711 CG2 THR A 45 -4.631 3.597 9.979 1.00 0.00 C ATOM 0 H THR A 45 -7.408 2.661 13.010 1.00 0.00 H new ATOM 0 HA THR A 45 -6.930 2.245 10.069 1.00 0.00 H new ATOM 0 HB THR A 45 -5.176 3.751 12.056 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.955 5.619 10.902 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.019 4.499 9.995 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.996 2.724 10.134 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.131 3.515 9.014 1.00 0.00 H new ATOM 719 N SER A 46 -5.853 0.099 10.810 1.00 0.00 N ATOM 720 CA SER A 46 -5.063 -1.117 11.155 1.00 0.00 C ATOM 721 C SER A 46 -4.806 -1.919 9.884 1.00 0.00 C ATOM 722 O SER A 46 -5.354 -2.985 9.671 1.00 0.00 O ATOM 723 CB SER A 46 -5.828 -1.966 12.163 1.00 0.00 C ATOM 724 OG SER A 46 -7.218 -1.922 11.867 1.00 0.00 O ATOM 0 H SER A 46 -6.491 -0.010 10.022 1.00 0.00 H new ATOM 0 HA SER A 46 -4.112 -0.823 11.599 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.472 -2.996 12.131 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.649 -1.598 13.173 1.00 0.00 H new ATOM 0 HG SER A 46 -7.708 -2.470 12.515 1.00 0.00 H new ATOM 730 N TYR A 47 -3.961 -1.399 9.044 1.00 0.00 N ATOM 731 CA TYR A 47 -3.624 -2.094 7.765 1.00 0.00 C ATOM 732 C TYR A 47 -2.176 -1.769 7.392 1.00 0.00 C ATOM 733 O TYR A 47 -1.789 -0.620 7.341 1.00 0.00 O ATOM 734 CB TYR A 47 -4.552 -1.609 6.645 1.00 0.00 C ATOM 735 CG TYR A 47 -5.970 -1.496 7.159 1.00 0.00 C ATOM 736 CD1 TYR A 47 -6.802 -2.622 7.173 1.00 0.00 C ATOM 737 CD2 TYR A 47 -6.450 -0.265 7.622 1.00 0.00 C ATOM 738 CE1 TYR A 47 -8.113 -2.517 7.651 1.00 0.00 C ATOM 739 CE2 TYR A 47 -7.762 -0.160 8.100 1.00 0.00 C ATOM 740 CZ TYR A 47 -8.593 -1.287 8.114 1.00 0.00 C ATOM 741 OH TYR A 47 -9.887 -1.184 8.586 1.00 0.00 O ATOM 0 H TYR A 47 -3.481 -0.511 9.187 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.749 -3.169 7.893 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -4.213 -0.642 6.274 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.515 -2.303 5.805 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.432 -3.571 6.815 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -5.808 0.604 7.610 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.755 -3.386 7.663 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -8.133 0.789 8.458 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.059 -0.262 8.870 1.00 0.00 H new ATOM 751 N LEU A 48 -1.373 -2.768 7.128 1.00 0.00 N ATOM 752 CA LEU A 48 0.048 -2.505 6.760 1.00 0.00 C ATOM 753 C LEU A 48 0.334 -3.076 5.372 1.00 0.00 C ATOM 754 O LEU A 48 -0.071 -4.172 5.052 1.00 0.00 O ATOM 755 CB LEU A 48 0.978 -3.169 7.780 1.00 0.00 C ATOM 756 CG LEU A 48 2.430 -3.067 7.299 1.00 0.00 C ATOM 757 CD1 LEU A 48 3.323 -2.612 8.456 1.00 0.00 C ATOM 758 CD2 LEU A 48 2.899 -4.436 6.796 1.00 0.00 C ATOM 0 H LEU A 48 -1.641 -3.752 7.152 1.00 0.00 H new ATOM 0 HA LEU A 48 0.221 -1.429 6.755 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.872 -2.686 8.751 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.701 -4.215 7.912 1.00 0.00 H new ATOM 0 HG LEU A 48 2.493 -2.342 6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.355 -2.540 8.113 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.990 -1.637 8.811 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.261 -3.335 9.269 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.931 -4.364 6.454 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.835 -5.163 7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.265 -4.757 5.970 1.00 0.00 H new ATOM 770 N VAL A 49 1.046 -2.339 4.559 1.00 0.00 N ATOM 771 CA VAL A 49 1.386 -2.825 3.188 1.00 0.00 C ATOM 772 C VAL A 49 2.615 -3.735 3.267 1.00 0.00 C ATOM 773 O VAL A 49 3.732 -3.268 3.340 1.00 0.00 O ATOM 774 CB VAL A 49 1.706 -1.629 2.281 1.00 0.00 C ATOM 775 CG1 VAL A 49 0.411 -1.057 1.709 1.00 0.00 C ATOM 776 CG2 VAL A 49 2.425 -0.540 3.086 1.00 0.00 C ATOM 0 H VAL A 49 1.409 -1.414 4.788 1.00 0.00 H new ATOM 0 HA VAL A 49 0.539 -3.376 2.779 1.00 0.00 H new ATOM 0 HB VAL A 49 2.350 -1.964 1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.641 -0.208 1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.100 -1.825 1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.234 -0.730 2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.649 0.305 2.435 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.784 -0.209 3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.354 -0.941 3.492 1.00 0.00 H new ATOM 786 N VAL A 50 2.425 -5.027 3.255 1.00 0.00 N ATOM 787 CA VAL A 50 3.600 -5.944 3.335 1.00 0.00 C ATOM 788 C VAL A 50 4.312 -5.980 1.981 1.00 0.00 C ATOM 789 O VAL A 50 3.932 -6.720 1.094 1.00 0.00 O ATOM 790 CB VAL A 50 3.116 -7.357 3.682 1.00 0.00 C ATOM 791 CG1 VAL A 50 4.320 -8.287 3.860 1.00 0.00 C ATOM 792 CG2 VAL A 50 2.307 -7.321 4.983 1.00 0.00 C ATOM 0 H VAL A 50 1.516 -5.485 3.194 1.00 0.00 H new ATOM 0 HA VAL A 50 4.287 -5.588 4.102 1.00 0.00 H new ATOM 0 HB VAL A 50 2.487 -7.727 2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.972 -9.290 4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.895 -8.320 2.934 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.952 -7.914 4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.965 -8.327 5.227 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.934 -6.946 5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.446 -6.665 4.858 1.00 0.00 H new ATOM 802 N GLY A 51 5.333 -5.181 1.807 1.00 0.00 N ATOM 803 CA GLY A 51 6.057 -5.167 0.503 1.00 0.00 C ATOM 804 C GLY A 51 7.391 -5.900 0.644 1.00 0.00 C ATOM 805 O GLY A 51 7.656 -6.857 -0.057 1.00 0.00 O ATOM 0 H GLY A 51 5.696 -4.539 2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.449 -5.644 -0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.228 -4.139 0.183 1.00 0.00 H new ATOM 809 N GLU A 52 8.236 -5.455 1.539 1.00 0.00 N ATOM 810 CA GLU A 52 9.559 -6.125 1.715 1.00 0.00 C ATOM 811 C GLU A 52 9.391 -7.413 2.536 1.00 0.00 C ATOM 812 O GLU A 52 8.310 -7.960 2.643 1.00 0.00 O ATOM 813 CB GLU A 52 10.518 -5.169 2.438 1.00 0.00 C ATOM 814 CG GLU A 52 11.971 -5.555 2.123 1.00 0.00 C ATOM 815 CD GLU A 52 12.577 -4.543 1.145 1.00 0.00 C ATOM 816 OE1 GLU A 52 12.168 -4.540 -0.005 1.00 0.00 O ATOM 817 OE2 GLU A 52 13.444 -3.793 1.561 1.00 0.00 O ATOM 0 H GLU A 52 8.067 -4.659 2.154 1.00 0.00 H new ATOM 0 HA GLU A 52 9.967 -6.382 0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 52 10.328 -4.143 2.124 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.346 -5.211 3.513 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.557 -5.582 3.042 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.006 -6.556 1.693 1.00 0.00 H new ATOM 824 N ASN A 53 10.463 -7.888 3.121 1.00 0.00 N ATOM 825 CA ASN A 53 10.397 -9.129 3.949 1.00 0.00 C ATOM 826 C ASN A 53 10.907 -8.817 5.363 1.00 0.00 C ATOM 827 O ASN A 53 10.146 -8.834 6.311 1.00 0.00 O ATOM 828 CB ASN A 53 11.241 -10.233 3.300 1.00 0.00 C ATOM 829 CG ASN A 53 10.324 -11.197 2.543 1.00 0.00 C ATOM 830 OD1 ASN A 53 9.806 -12.137 3.115 1.00 0.00 O ATOM 831 ND2 ASN A 53 10.097 -11.002 1.273 1.00 0.00 N ATOM 0 H ASN A 53 11.389 -7.464 3.059 1.00 0.00 H new ATOM 0 HA ASN A 53 9.367 -9.479 4.012 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.969 -9.795 2.617 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.803 -10.772 4.063 1.00 0.00 H new ATOM 0 HD21 ASN A 53 9.486 -11.638 0.761 1.00 0.00 H new ATOM 0 HD22 ASN A 53 10.531 -10.214 0.792 1.00 0.00 H new ATOM 838 N PRO A 54 12.179 -8.509 5.511 1.00 0.00 N ATOM 839 CA PRO A 54 12.766 -8.166 6.839 1.00 0.00 C ATOM 840 C PRO A 54 12.354 -6.757 7.279 1.00 0.00 C ATOM 841 O PRO A 54 12.932 -6.178 8.178 1.00 0.00 O ATOM 842 CB PRO A 54 14.277 -8.232 6.602 1.00 0.00 C ATOM 843 CG PRO A 54 14.462 -7.974 5.143 1.00 0.00 C ATOM 844 CD PRO A 54 13.191 -8.456 4.439 1.00 0.00 C ATOM 0 HA PRO A 54 12.428 -8.839 7.627 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.801 -7.488 7.202 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.676 -9.207 6.882 1.00 0.00 H new ATOM 0 HG2 PRO A 54 14.627 -6.913 4.957 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.337 -8.504 4.765 1.00 0.00 H new ATOM 0 HD2 PRO A 54 12.893 -7.773 3.644 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.337 -9.434 3.981 1.00 0.00 H new ATOM 852 N GLY A 55 11.360 -6.206 6.631 1.00 0.00 N ATOM 853 CA GLY A 55 10.893 -4.832 6.973 1.00 0.00 C ATOM 854 C GLY A 55 10.505 -4.750 8.449 1.00 0.00 C ATOM 855 O GLY A 55 10.123 -5.730 9.058 1.00 0.00 O ATOM 0 H GLY A 55 10.848 -6.655 5.872 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.680 -4.110 6.757 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.038 -4.567 6.351 1.00 0.00 H new ATOM 859 N SER A 56 10.590 -3.575 9.023 1.00 0.00 N ATOM 860 CA SER A 56 10.214 -3.407 10.457 1.00 0.00 C ATOM 861 C SER A 56 8.735 -3.765 10.628 1.00 0.00 C ATOM 862 O SER A 56 8.242 -3.914 11.730 1.00 0.00 O ATOM 863 CB SER A 56 10.444 -1.954 10.876 1.00 0.00 C ATOM 864 OG SER A 56 10.386 -1.858 12.294 1.00 0.00 O ATOM 0 H SER A 56 10.905 -2.724 8.557 1.00 0.00 H new ATOM 0 HA SER A 56 10.824 -4.061 11.080 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.413 -1.609 10.516 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.689 -1.310 10.425 1.00 0.00 H new ATOM 0 HG SER A 56 9.624 -2.376 12.626 1.00 0.00 H new ATOM 870 N LYS A 57 8.034 -3.913 9.534 1.00 0.00 N ATOM 871 CA LYS A 57 6.589 -4.272 9.590 1.00 0.00 C ATOM 872 C LYS A 57 6.408 -5.587 10.350 1.00 0.00 C ATOM 873 O LYS A 57 5.323 -5.910 10.780 1.00 0.00 O ATOM 874 CB LYS A 57 6.043 -4.426 8.168 1.00 0.00 C ATOM 875 CG LYS A 57 6.987 -5.303 7.336 1.00 0.00 C ATOM 876 CD LYS A 57 6.332 -5.626 5.989 1.00 0.00 C ATOM 877 CE LYS A 57 7.352 -6.304 5.070 1.00 0.00 C ATOM 878 NZ LYS A 57 7.575 -7.707 5.521 1.00 0.00 N ATOM 0 H LYS A 57 8.408 -3.798 8.592 1.00 0.00 H new ATOM 0 HA LYS A 57 6.045 -3.481 10.106 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.049 -4.873 8.198 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.938 -3.446 7.702 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.934 -4.787 7.177 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.212 -6.224 7.873 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.472 -6.279 6.139 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.961 -4.712 5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.992 -6.295 4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.292 -5.753 5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.561 -7.819 5.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.937 -7.923 6.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.383 -8.359 4.734 1.00 0.00 H new ATOM 892 N LEU A 58 7.463 -6.349 10.506 1.00 0.00 N ATOM 893 CA LEU A 58 7.360 -7.654 11.231 1.00 0.00 C ATOM 894 C LEU A 58 6.516 -7.489 12.502 1.00 0.00 C ATOM 895 O LEU A 58 5.950 -8.438 13.007 1.00 0.00 O ATOM 896 CB LEU A 58 8.770 -8.124 11.612 1.00 0.00 C ATOM 897 CG LEU A 58 8.739 -9.598 12.036 1.00 0.00 C ATOM 898 CD1 LEU A 58 8.709 -10.494 10.794 1.00 0.00 C ATOM 899 CD2 LEU A 58 9.991 -9.914 12.862 1.00 0.00 C ATOM 0 H LEU A 58 8.396 -6.122 10.161 1.00 0.00 H new ATOM 0 HA LEU A 58 6.882 -8.390 10.584 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.445 -7.995 10.766 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.158 -7.512 12.426 1.00 0.00 H new ATOM 0 HG LEU A 58 7.847 -9.783 12.634 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.687 -11.540 11.100 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.820 -10.270 10.205 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.599 -10.311 10.192 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.972 -10.961 13.165 1.00 0.00 H new ATOM 0 HD22 LEU A 58 10.881 -9.726 12.261 1.00 0.00 H new ATOM 0 HD23 LEU A 58 10.012 -9.280 13.748 1.00 0.00 H new ATOM 911 N GLU A 59 6.413 -6.289 13.011 1.00 0.00 N ATOM 912 CA GLU A 59 5.593 -6.064 14.237 1.00 0.00 C ATOM 913 C GLU A 59 4.115 -5.983 13.852 1.00 0.00 C ATOM 914 O GLU A 59 3.307 -6.768 14.313 1.00 0.00 O ATOM 915 CB GLU A 59 6.027 -4.758 14.912 1.00 0.00 C ATOM 916 CG GLU A 59 5.439 -4.688 16.325 1.00 0.00 C ATOM 917 CD GLU A 59 5.403 -3.230 16.794 1.00 0.00 C ATOM 918 OE1 GLU A 59 4.497 -2.519 16.389 1.00 0.00 O ATOM 919 OE2 GLU A 59 6.282 -2.849 17.550 1.00 0.00 O ATOM 0 H GLU A 59 6.861 -5.456 12.630 1.00 0.00 H new ATOM 0 HA GLU A 59 5.740 -6.891 14.931 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.115 -4.704 14.957 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.690 -3.904 14.324 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.433 -5.108 16.333 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.040 -5.286 17.010 1.00 0.00 H new ATOM 926 N LYS A 60 3.747 -5.048 13.011 1.00 0.00 N ATOM 927 CA LYS A 60 2.315 -4.941 12.611 1.00 0.00 C ATOM 928 C LYS A 60 1.989 -6.031 11.588 1.00 0.00 C ATOM 929 O LYS A 60 0.898 -6.566 11.570 1.00 0.00 O ATOM 930 CB LYS A 60 2.047 -3.567 11.992 1.00 0.00 C ATOM 931 CG LYS A 60 0.601 -3.516 11.487 1.00 0.00 C ATOM 932 CD LYS A 60 0.177 -2.062 11.255 1.00 0.00 C ATOM 933 CE LYS A 60 -1.300 -2.019 10.845 1.00 0.00 C ATOM 934 NZ LYS A 60 -1.617 -3.190 9.979 1.00 0.00 N ATOM 0 H LYS A 60 4.372 -4.361 12.589 1.00 0.00 H new ATOM 0 HA LYS A 60 1.687 -5.065 13.493 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.215 -2.783 12.730 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.739 -3.384 11.170 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.511 -4.082 10.560 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.063 -3.986 12.213 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.331 -1.478 12.162 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.794 -1.612 10.478 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.934 -2.029 11.732 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.512 -1.092 10.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.595 -3.112 9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.965 -3.209 9.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.512 -4.067 10.529 1.00 0.00 H new ATOM 948 N ALA A 61 2.929 -6.367 10.742 1.00 0.00 N ATOM 949 CA ALA A 61 2.680 -7.424 9.721 1.00 0.00 C ATOM 950 C ALA A 61 2.430 -8.756 10.424 1.00 0.00 C ATOM 951 O ALA A 61 1.551 -9.503 10.042 1.00 0.00 O ATOM 952 CB ALA A 61 3.880 -7.547 8.787 1.00 0.00 C ATOM 0 H ALA A 61 3.861 -5.952 10.716 1.00 0.00 H new ATOM 0 HA ALA A 61 1.805 -7.154 9.130 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.686 -8.322 8.046 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.047 -6.596 8.282 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.765 -7.811 9.365 1.00 0.00 H new ATOM 958 N ARG A 62 3.164 -9.058 11.470 1.00 0.00 N ATOM 959 CA ARG A 62 2.910 -10.333 12.196 1.00 0.00 C ATOM 960 C ARG A 62 1.533 -10.214 12.837 1.00 0.00 C ATOM 961 O ARG A 62 0.777 -11.162 12.900 1.00 0.00 O ATOM 962 CB ARG A 62 3.977 -10.538 13.277 1.00 0.00 C ATOM 963 CG ARG A 62 3.765 -11.888 13.968 1.00 0.00 C ATOM 964 CD ARG A 62 4.969 -12.200 14.859 1.00 0.00 C ATOM 965 NE ARG A 62 4.895 -13.616 15.322 1.00 0.00 N ATOM 966 CZ ARG A 62 5.261 -14.584 14.525 1.00 0.00 C ATOM 967 NH1 ARG A 62 6.513 -14.707 14.175 1.00 0.00 N ATOM 968 NH2 ARG A 62 4.374 -15.432 14.082 1.00 0.00 N ATOM 0 H ARG A 62 3.918 -8.482 11.845 1.00 0.00 H new ATOM 0 HA ARG A 62 2.949 -11.185 11.517 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.971 -10.500 12.831 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.925 -9.732 14.009 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.854 -11.864 14.565 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.637 -12.674 13.223 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.895 -12.035 14.308 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.984 -11.527 15.716 1.00 0.00 H new ATOM 0 HE ARG A 62 4.559 -13.828 16.261 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.207 -14.046 14.524 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.797 -15.464 13.553 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.397 -15.338 14.358 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.658 -16.189 13.460 1.00 0.00 H new ATOM 982 N ALA A 63 1.201 -9.022 13.274 1.00 0.00 N ATOM 983 CA ALA A 63 -0.138 -8.756 13.879 1.00 0.00 C ATOM 984 C ALA A 63 -0.368 -9.576 15.150 1.00 0.00 C ATOM 985 O ALA A 63 0.082 -10.697 15.287 1.00 0.00 O ATOM 986 CB ALA A 63 -1.236 -9.082 12.862 1.00 0.00 C ATOM 0 H ALA A 63 1.815 -8.209 13.235 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.172 -7.701 14.150 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.212 -8.887 13.306 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.109 -8.459 11.977 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.169 -10.132 12.579 1.00 0.00 H new ATOM 992 N LEU A 64 -1.110 -9.009 16.060 1.00 0.00 N ATOM 993 CA LEU A 64 -1.456 -9.706 17.331 1.00 0.00 C ATOM 994 C LEU A 64 -2.980 -9.681 17.467 1.00 0.00 C ATOM 995 O LEU A 64 -3.538 -10.032 18.489 1.00 0.00 O ATOM 996 CB LEU A 64 -0.807 -8.980 18.521 1.00 0.00 C ATOM 997 CG LEU A 64 -0.985 -7.462 18.379 1.00 0.00 C ATOM 998 CD1 LEU A 64 -2.381 -7.053 18.861 1.00 0.00 C ATOM 999 CD2 LEU A 64 0.073 -6.747 19.225 1.00 0.00 C ATOM 0 H LEU A 64 -1.500 -8.070 15.974 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.089 -10.732 17.320 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.258 -9.320 19.453 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.254 -9.226 18.571 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.871 -7.183 17.331 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.500 -5.975 18.757 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.136 -7.561 18.261 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.501 -7.332 19.908 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.050 -5.668 19.127 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.044 -7.032 20.271 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.067 -7.031 18.881 1.00 0.00 H new ATOM 1011 N GLY A 65 -3.645 -9.252 16.425 1.00 0.00 N ATOM 1012 CA GLY A 65 -5.130 -9.166 16.431 1.00 0.00 C ATOM 1013 C GLY A 65 -5.551 -8.247 15.280 1.00 0.00 C ATOM 1014 O GLY A 65 -6.616 -8.387 14.710 1.00 0.00 O ATOM 0 H GLY A 65 -3.208 -8.952 15.553 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.570 -10.156 16.310 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.486 -8.773 17.383 1.00 0.00 H new ATOM 1018 N VAL A 66 -4.703 -7.307 14.942 1.00 0.00 N ATOM 1019 CA VAL A 66 -5.015 -6.359 13.830 1.00 0.00 C ATOM 1020 C VAL A 66 -4.680 -7.015 12.482 1.00 0.00 C ATOM 1021 O VAL A 66 -3.753 -7.793 12.380 1.00 0.00 O ATOM 1022 CB VAL A 66 -4.184 -5.078 13.995 1.00 0.00 C ATOM 1023 CG1 VAL A 66 -4.756 -4.237 15.139 1.00 0.00 C ATOM 1024 CG2 VAL A 66 -2.725 -5.440 14.309 1.00 0.00 C ATOM 0 H VAL A 66 -3.801 -7.156 15.393 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.076 -6.110 13.858 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.223 -4.506 13.068 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.164 -3.329 15.254 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.789 -3.971 14.914 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.722 -4.811 16.065 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.141 -4.527 14.425 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.684 -6.017 15.233 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.313 -6.033 13.492 1.00 0.00 H new ATOM 1034 N PRO A 67 -5.433 -6.703 11.454 1.00 0.00 N ATOM 1035 CA PRO A 67 -5.215 -7.269 10.090 1.00 0.00 C ATOM 1036 C PRO A 67 -4.073 -6.578 9.328 1.00 0.00 C ATOM 1037 O PRO A 67 -3.753 -5.430 9.569 1.00 0.00 O ATOM 1038 CB PRO A 67 -6.545 -7.020 9.378 1.00 0.00 C ATOM 1039 CG PRO A 67 -7.165 -5.846 10.068 1.00 0.00 C ATOM 1040 CD PRO A 67 -6.580 -5.780 11.483 1.00 0.00 C ATOM 0 HA PRO A 67 -4.926 -8.319 10.141 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.389 -6.813 8.319 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.191 -7.896 9.440 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.954 -4.926 9.523 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.249 -5.953 10.106 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.267 -4.767 11.736 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.314 -6.083 12.230 1.00 0.00 H new ATOM 1048 N THR A 68 -3.471 -7.282 8.402 1.00 0.00 N ATOM 1049 CA THR A 68 -2.355 -6.703 7.590 1.00 0.00 C ATOM 1050 C THR A 68 -2.695 -6.883 6.108 1.00 0.00 C ATOM 1051 O THR A 68 -3.077 -7.958 5.688 1.00 0.00 O ATOM 1052 CB THR A 68 -1.054 -7.440 7.914 1.00 0.00 C ATOM 1053 OG1 THR A 68 -1.229 -8.834 7.697 1.00 0.00 O ATOM 1054 CG2 THR A 68 -0.682 -7.189 9.376 1.00 0.00 C ATOM 0 H THR A 68 -3.708 -8.247 8.171 1.00 0.00 H new ATOM 0 HA THR A 68 -2.229 -5.645 7.819 1.00 0.00 H new ATOM 0 HB THR A 68 -0.256 -7.074 7.268 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.951 -8.976 7.049 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.245 -7.713 9.611 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.546 -6.120 9.538 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.479 -7.555 10.022 1.00 0.00 H new ATOM 1062 N LEU A 69 -2.580 -5.850 5.312 1.00 0.00 N ATOM 1063 CA LEU A 69 -2.920 -5.985 3.864 1.00 0.00 C ATOM 1064 C LEU A 69 -1.638 -6.123 3.040 1.00 0.00 C ATOM 1065 O LEU A 69 -0.776 -5.270 3.066 1.00 0.00 O ATOM 1066 CB LEU A 69 -3.694 -4.740 3.408 1.00 0.00 C ATOM 1067 CG LEU A 69 -5.031 -5.159 2.785 1.00 0.00 C ATOM 1068 CD1 LEU A 69 -5.992 -5.618 3.886 1.00 0.00 C ATOM 1069 CD2 LEU A 69 -5.645 -3.969 2.039 1.00 0.00 C ATOM 0 H LEU A 69 -2.267 -4.923 5.601 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.535 -6.873 3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.869 -4.078 4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.104 -4.179 2.683 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.860 -5.979 2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.941 -5.915 3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.559 -6.466 4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.161 -4.800 4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.595 -4.268 1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.812 -3.149 2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.965 -3.643 1.252 1.00 0.00 H new ATOM 1081 N THR A 70 -1.511 -7.192 2.303 1.00 0.00 N ATOM 1082 CA THR A 70 -0.288 -7.391 1.473 1.00 0.00 C ATOM 1083 C THR A 70 -0.105 -6.203 0.524 1.00 0.00 C ATOM 1084 O THR A 70 -1.043 -5.748 -0.101 1.00 0.00 O ATOM 1085 CB THR A 70 -0.438 -8.670 0.647 1.00 0.00 C ATOM 1086 OG1 THR A 70 -1.079 -9.671 1.428 1.00 0.00 O ATOM 1087 CG2 THR A 70 0.941 -9.167 0.209 1.00 0.00 C ATOM 0 H THR A 70 -2.203 -7.939 2.239 1.00 0.00 H new ATOM 0 HA THR A 70 0.580 -7.470 2.128 1.00 0.00 H new ATOM 0 HB THR A 70 -1.041 -8.458 -0.236 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.176 -10.489 0.896 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.830 -10.078 -0.379 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.428 -8.402 -0.396 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.549 -9.375 1.089 1.00 0.00 H new ATOM 1095 N GLU A 71 1.103 -5.713 0.392 1.00 0.00 N ATOM 1096 CA GLU A 71 1.349 -4.575 -0.540 1.00 0.00 C ATOM 1097 C GLU A 71 1.143 -5.079 -1.969 1.00 0.00 C ATOM 1098 O GLU A 71 0.865 -4.322 -2.879 1.00 0.00 O ATOM 1099 CB GLU A 71 2.787 -4.075 -0.367 1.00 0.00 C ATOM 1100 CG GLU A 71 2.986 -2.772 -1.153 1.00 0.00 C ATOM 1101 CD GLU A 71 4.085 -2.970 -2.201 1.00 0.00 C ATOM 1102 OE1 GLU A 71 3.773 -3.464 -3.272 1.00 0.00 O ATOM 1103 OE2 GLU A 71 5.221 -2.629 -1.912 1.00 0.00 O ATOM 0 H GLU A 71 1.926 -6.053 0.889 1.00 0.00 H new ATOM 0 HA GLU A 71 0.664 -3.754 -0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.999 -3.909 0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.489 -4.832 -0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.054 -2.482 -1.638 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.257 -1.963 -0.474 1.00 0.00 H new ATOM 1110 N GLU A 72 1.279 -6.365 -2.157 1.00 0.00 N ATOM 1111 CA GLU A 72 1.094 -6.961 -3.513 1.00 0.00 C ATOM 1112 C GLU A 72 -0.273 -6.549 -4.067 1.00 0.00 C ATOM 1113 O GLU A 72 -0.375 -6.035 -5.165 1.00 0.00 O ATOM 1114 CB GLU A 72 1.169 -8.488 -3.415 1.00 0.00 C ATOM 1115 CG GLU A 72 2.594 -8.910 -3.047 1.00 0.00 C ATOM 1116 CD GLU A 72 3.536 -8.623 -4.220 1.00 0.00 C ATOM 1117 OE1 GLU A 72 3.542 -9.406 -5.155 1.00 0.00 O ATOM 1118 OE2 GLU A 72 4.234 -7.624 -4.163 1.00 0.00 O ATOM 0 H GLU A 72 1.512 -7.034 -1.423 1.00 0.00 H new ATOM 0 HA GLU A 72 1.879 -6.603 -4.179 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.467 -8.849 -2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.879 -8.938 -4.365 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.926 -8.370 -2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.617 -9.972 -2.801 1.00 0.00 H new ATOM 1125 N GLU A 73 -1.321 -6.765 -3.314 1.00 0.00 N ATOM 1126 CA GLU A 73 -2.683 -6.382 -3.793 1.00 0.00 C ATOM 1127 C GLU A 73 -2.710 -4.880 -4.086 1.00 0.00 C ATOM 1128 O GLU A 73 -3.291 -4.438 -5.059 1.00 0.00 O ATOM 1129 CB GLU A 73 -3.717 -6.706 -2.708 1.00 0.00 C ATOM 1130 CG GLU A 73 -4.011 -8.211 -2.704 1.00 0.00 C ATOM 1131 CD GLU A 73 -4.603 -8.630 -4.054 1.00 0.00 C ATOM 1132 OE1 GLU A 73 -5.572 -8.015 -4.471 1.00 0.00 O ATOM 1133 OE2 GLU A 73 -4.079 -9.558 -4.648 1.00 0.00 O ATOM 0 H GLU A 73 -1.292 -7.190 -2.387 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.921 -6.938 -4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.343 -6.397 -1.732 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.635 -6.147 -2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.095 -8.769 -2.510 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.707 -8.452 -1.901 1.00 0.00 H new ATOM 1140 N LEU A 74 -2.080 -4.098 -3.251 1.00 0.00 N ATOM 1141 CA LEU A 74 -2.055 -2.624 -3.472 1.00 0.00 C ATOM 1142 C LEU A 74 -1.328 -2.325 -4.786 1.00 0.00 C ATOM 1143 O LEU A 74 -1.790 -1.546 -5.597 1.00 0.00 O ATOM 1144 CB LEU A 74 -1.327 -1.954 -2.295 1.00 0.00 C ATOM 1145 CG LEU A 74 -0.641 -0.655 -2.745 1.00 0.00 C ATOM 1146 CD1 LEU A 74 -1.695 0.383 -3.141 1.00 0.00 C ATOM 1147 CD2 LEU A 74 0.199 -0.105 -1.591 1.00 0.00 C ATOM 0 H LEU A 74 -1.580 -4.419 -2.422 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.071 -2.234 -3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.038 -1.738 -1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.585 -2.638 -1.883 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.003 -0.864 -3.604 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.200 1.301 -3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.299 -0.006 -3.961 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.337 0.594 -2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.688 0.817 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.446 0.099 -0.736 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.954 -0.839 -1.309 1.00 0.00 H new ATOM 1159 N TYR A 75 -0.199 -2.945 -5.006 1.00 0.00 N ATOM 1160 CA TYR A 75 0.552 -2.701 -6.270 1.00 0.00 C ATOM 1161 C TYR A 75 -0.230 -3.288 -7.445 1.00 0.00 C ATOM 1162 O TYR A 75 -0.129 -2.819 -8.563 1.00 0.00 O ATOM 1163 CB TYR A 75 1.929 -3.364 -6.189 1.00 0.00 C ATOM 1164 CG TYR A 75 2.829 -2.783 -7.255 1.00 0.00 C ATOM 1165 CD1 TYR A 75 3.421 -1.528 -7.067 1.00 0.00 C ATOM 1166 CD2 TYR A 75 3.068 -3.498 -8.436 1.00 0.00 C ATOM 1167 CE1 TYR A 75 4.250 -0.988 -8.056 1.00 0.00 C ATOM 1168 CE2 TYR A 75 3.896 -2.958 -9.425 1.00 0.00 C ATOM 1169 CZ TYR A 75 4.488 -1.703 -9.237 1.00 0.00 C ATOM 1170 OH TYR A 75 5.306 -1.171 -10.214 1.00 0.00 O ATOM 0 H TYR A 75 0.235 -3.609 -4.365 1.00 0.00 H new ATOM 0 HA TYR A 75 0.679 -1.628 -6.415 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.365 -3.204 -5.203 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.835 -4.441 -6.325 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.237 -0.976 -6.157 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.613 -4.466 -8.582 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.706 -0.020 -7.909 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.079 -3.510 -10.335 1.00 0.00 H new ATOM 0 HH TYR A 75 4.866 -1.248 -11.086 1.00 0.00 H new ATOM 1180 N ARG A 76 -1.011 -4.308 -7.201 1.00 0.00 N ATOM 1181 CA ARG A 76 -1.804 -4.921 -8.301 1.00 0.00 C ATOM 1182 C ARG A 76 -2.774 -3.877 -8.859 1.00 0.00 C ATOM 1183 O ARG A 76 -2.568 -3.342 -9.931 1.00 0.00 O ATOM 1184 CB ARG A 76 -2.585 -6.123 -7.761 1.00 0.00 C ATOM 1185 CG ARG A 76 -3.237 -6.880 -8.922 1.00 0.00 C ATOM 1186 CD ARG A 76 -4.263 -7.875 -8.375 1.00 0.00 C ATOM 1187 NE ARG A 76 -4.418 -9.004 -9.334 1.00 0.00 N ATOM 1188 CZ ARG A 76 -5.310 -8.937 -10.286 1.00 0.00 C ATOM 1189 NH1 ARG A 76 -5.242 -7.989 -11.181 1.00 0.00 N ATOM 1190 NH2 ARG A 76 -6.268 -9.821 -10.342 1.00 0.00 N ATOM 0 H ARG A 76 -1.132 -4.741 -6.286 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.137 -5.259 -9.095 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.917 -6.786 -7.212 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.348 -5.787 -7.059 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.722 -6.178 -9.600 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.477 -7.407 -9.499 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.940 -8.250 -7.404 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.221 -7.379 -8.222 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.827 -9.831 -9.247 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.492 -7.299 -11.137 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.939 -7.938 -11.924 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.319 -10.562 -9.643 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.966 -9.771 -11.084 1.00 0.00 H new ATOM 1204 N LEU A 77 -3.838 -3.596 -8.146 1.00 0.00 N ATOM 1205 CA LEU A 77 -4.831 -2.600 -8.639 1.00 0.00 C ATOM 1206 C LEU A 77 -4.117 -1.324 -9.092 1.00 0.00 C ATOM 1207 O LEU A 77 -4.600 -0.616 -9.947 1.00 0.00 O ATOM 1208 CB LEU A 77 -5.825 -2.273 -7.522 1.00 0.00 C ATOM 1209 CG LEU A 77 -6.478 -3.567 -7.013 1.00 0.00 C ATOM 1210 CD1 LEU A 77 -7.632 -3.223 -6.068 1.00 0.00 C ATOM 1211 CD2 LEU A 77 -7.018 -4.378 -8.198 1.00 0.00 C ATOM 0 H LEU A 77 -4.059 -4.016 -7.243 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.368 -3.021 -9.489 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.313 -1.767 -6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.590 -1.590 -7.891 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.732 -4.157 -6.480 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.094 -4.142 -5.708 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.251 -2.653 -5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.374 -2.629 -6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.480 -5.295 -7.831 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.760 -3.787 -8.735 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.198 -4.629 -8.871 1.00 0.00 H new ATOM 1223 N LEU A 78 -2.964 -1.031 -8.545 1.00 0.00 N ATOM 1224 CA LEU A 78 -2.226 0.194 -8.977 1.00 0.00 C ATOM 1225 C LEU A 78 -2.018 0.127 -10.491 1.00 0.00 C ATOM 1226 O LEU A 78 -2.674 0.814 -11.245 1.00 0.00 O ATOM 1227 CB LEU A 78 -0.868 0.249 -8.270 1.00 0.00 C ATOM 1228 CG LEU A 78 -0.344 1.691 -8.245 1.00 0.00 C ATOM 1229 CD1 LEU A 78 0.220 2.007 -6.856 1.00 0.00 C ATOM 1230 CD2 LEU A 78 0.766 1.849 -9.290 1.00 0.00 C ATOM 0 H LEU A 78 -2.504 -1.584 -7.822 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.796 1.087 -8.719 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.964 -0.129 -7.252 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.155 -0.396 -8.784 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.161 2.377 -8.472 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.592 3.031 -6.839 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.566 1.894 -6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.036 1.321 -6.630 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.139 2.873 -9.273 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.581 1.162 -9.062 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.369 1.624 -10.280 1.00 0.00 H new ATOM 1242 N GLU A 79 -1.116 -0.708 -10.939 1.00 0.00 N ATOM 1243 CA GLU A 79 -0.874 -0.837 -12.405 1.00 0.00 C ATOM 1244 C GLU A 79 -2.189 -1.223 -13.090 1.00 0.00 C ATOM 1245 O GLU A 79 -2.594 -0.623 -14.066 1.00 0.00 O ATOM 1246 CB GLU A 79 0.177 -1.920 -12.661 1.00 0.00 C ATOM 1247 CG GLU A 79 1.396 -1.674 -11.765 1.00 0.00 C ATOM 1248 CD GLU A 79 2.633 -2.326 -12.388 1.00 0.00 C ATOM 1249 OE1 GLU A 79 2.602 -3.528 -12.601 1.00 0.00 O ATOM 1250 OE2 GLU A 79 3.591 -1.613 -12.639 1.00 0.00 O ATOM 0 H GLU A 79 -0.536 -1.307 -10.351 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.512 0.110 -12.805 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.244 -2.905 -12.458 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.476 -1.911 -13.709 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.560 -0.603 -11.643 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.218 -2.085 -10.771 1.00 0.00 H new ATOM 1257 N ALA A 80 -2.851 -2.225 -12.572 1.00 0.00 N ATOM 1258 CA ALA A 80 -4.149 -2.685 -13.156 1.00 0.00 C ATOM 1259 C ALA A 80 -5.152 -1.526 -13.223 1.00 0.00 C ATOM 1260 O ALA A 80 -6.174 -1.626 -13.875 1.00 0.00 O ATOM 1261 CB ALA A 80 -4.725 -3.806 -12.289 1.00 0.00 C ATOM 0 H ALA A 80 -2.543 -2.753 -11.756 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.969 -3.050 -14.167 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.671 -4.143 -12.712 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.023 -4.640 -12.259 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.892 -3.435 -11.278 1.00 0.00 H new ATOM 1267 N ARG A 81 -4.865 -0.425 -12.577 1.00 0.00 N ATOM 1268 CA ARG A 81 -5.797 0.742 -12.625 1.00 0.00 C ATOM 1269 C ARG A 81 -5.112 1.886 -13.373 1.00 0.00 C ATOM 1270 O ARG A 81 -5.739 2.607 -14.127 1.00 0.00 O ATOM 1271 CB ARG A 81 -6.152 1.193 -11.204 1.00 0.00 C ATOM 1272 CG ARG A 81 -7.282 2.227 -11.258 1.00 0.00 C ATOM 1273 CD ARG A 81 -6.966 3.385 -10.307 1.00 0.00 C ATOM 1274 NE ARG A 81 -5.772 4.123 -10.807 1.00 0.00 N ATOM 1275 CZ ARG A 81 -5.789 5.427 -10.869 1.00 0.00 C ATOM 1276 NH1 ARG A 81 -6.539 6.028 -11.751 1.00 0.00 N ATOM 1277 NH2 ARG A 81 -5.056 6.128 -10.049 1.00 0.00 N ATOM 0 H ARG A 81 -4.024 -0.283 -12.017 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.715 0.456 -13.139 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.459 0.335 -10.606 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.276 1.623 -10.719 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.398 2.600 -12.275 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.228 1.762 -10.979 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.821 4.058 -10.239 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.778 3.005 -9.303 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.941 3.609 -11.101 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -7.112 5.479 -12.392 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.552 7.047 -11.800 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.470 5.657 -9.360 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.069 7.147 -10.097 1.00 0.00 H new ATOM 1291 N THR A 82 -3.826 2.047 -13.189 1.00 0.00 N ATOM 1292 CA THR A 82 -3.102 3.133 -13.912 1.00 0.00 C ATOM 1293 C THR A 82 -3.060 2.780 -15.401 1.00 0.00 C ATOM 1294 O THR A 82 -3.274 3.617 -16.257 1.00 0.00 O ATOM 1295 CB THR A 82 -1.669 3.257 -13.379 1.00 0.00 C ATOM 1296 OG1 THR A 82 -0.948 2.070 -13.674 1.00 0.00 O ATOM 1297 CG2 THR A 82 -1.687 3.481 -11.862 1.00 0.00 C ATOM 0 H THR A 82 -3.249 1.475 -12.572 1.00 0.00 H new ATOM 0 HA THR A 82 -3.617 4.082 -13.760 1.00 0.00 H new ATOM 0 HB THR A 82 -1.185 4.108 -13.858 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.047 2.302 -13.982 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.664 3.568 -11.495 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.232 4.397 -11.636 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.177 2.638 -11.375 1.00 0.00 H new ATOM 1305 N GLY A 83 -2.773 1.542 -15.703 1.00 0.00 N ATOM 1306 CA GLY A 83 -2.699 1.106 -17.127 1.00 0.00 C ATOM 1307 C GLY A 83 -1.281 1.344 -17.645 1.00 0.00 C ATOM 1308 O GLY A 83 -1.033 1.334 -18.835 1.00 0.00 O ATOM 0 H GLY A 83 -2.585 0.809 -15.019 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.959 0.051 -17.212 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.418 1.661 -17.729 1.00 0.00 H new ATOM 1312 N LYS A 84 -0.348 1.556 -16.751 1.00 0.00 N ATOM 1313 CA LYS A 84 1.065 1.796 -17.163 1.00 0.00 C ATOM 1314 C LYS A 84 1.983 1.424 -15.990 1.00 0.00 C ATOM 1315 O LYS A 84 1.548 1.361 -14.856 1.00 0.00 O ATOM 1316 CB LYS A 84 1.241 3.278 -17.513 1.00 0.00 C ATOM 1317 CG LYS A 84 2.693 3.551 -17.914 1.00 0.00 C ATOM 1318 CD LYS A 84 2.765 4.836 -18.748 1.00 0.00 C ATOM 1319 CE LYS A 84 3.015 4.484 -20.217 1.00 0.00 C ATOM 1320 NZ LYS A 84 1.865 3.693 -20.740 1.00 0.00 N ATOM 0 H LYS A 84 -0.509 1.573 -15.744 1.00 0.00 H new ATOM 0 HA LYS A 84 1.317 1.191 -18.034 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.572 3.549 -18.330 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.968 3.897 -16.658 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.314 3.648 -17.024 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.086 2.711 -18.487 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.835 5.396 -18.651 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.564 5.478 -18.377 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.141 5.394 -20.804 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.938 3.912 -20.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.932 3.627 -21.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.886 2.737 -20.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.974 4.162 -20.480 1.00 0.00 H new ATOM 1334 N LYS A 85 3.243 1.169 -16.245 1.00 0.00 N ATOM 1335 CA LYS A 85 4.160 0.793 -15.128 1.00 0.00 C ATOM 1336 C LYS A 85 4.265 1.943 -14.127 1.00 0.00 C ATOM 1337 O LYS A 85 4.348 3.100 -14.495 1.00 0.00 O ATOM 1338 CB LYS A 85 5.553 0.439 -15.665 1.00 0.00 C ATOM 1339 CG LYS A 85 6.049 1.526 -16.622 1.00 0.00 C ATOM 1340 CD LYS A 85 7.574 1.683 -16.501 1.00 0.00 C ATOM 1341 CE LYS A 85 8.248 0.312 -16.348 1.00 0.00 C ATOM 1342 NZ LYS A 85 9.589 0.344 -16.999 1.00 0.00 N ATOM 0 H LYS A 85 3.672 1.205 -17.170 1.00 0.00 H new ATOM 0 HA LYS A 85 3.749 -0.083 -14.626 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.252 0.329 -14.836 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.518 -0.520 -16.181 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.783 1.268 -17.647 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.559 2.473 -16.394 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.964 2.189 -17.384 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.813 2.310 -15.642 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.350 0.060 -15.292 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.630 -0.462 -16.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.908 -0.628 -17.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.527 0.866 -17.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.269 0.817 -16.370 1.00 0.00 H new ATOM 1356 N ALA A 86 4.264 1.622 -12.860 1.00 0.00 N ATOM 1357 CA ALA A 86 4.371 2.671 -11.807 1.00 0.00 C ATOM 1358 C ALA A 86 5.614 3.523 -12.062 1.00 0.00 C ATOM 1359 O ALA A 86 5.729 4.629 -11.569 1.00 0.00 O ATOM 1360 CB ALA A 86 4.484 2.006 -10.433 1.00 0.00 C ATOM 0 H ALA A 86 4.193 0.667 -12.508 1.00 0.00 H new ATOM 0 HA ALA A 86 3.484 3.303 -11.833 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.562 2.773 -9.663 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.599 1.397 -10.250 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.371 1.374 -10.407 1.00 0.00 H new ATOM 1366 N GLU A 87 6.543 3.024 -12.837 1.00 0.00 N ATOM 1367 CA GLU A 87 7.771 3.812 -13.126 1.00 0.00 C ATOM 1368 C GLU A 87 7.461 4.838 -14.219 1.00 0.00 C ATOM 1369 O GLU A 87 7.761 6.004 -14.069 1.00 0.00 O ATOM 1370 CB GLU A 87 8.888 2.875 -13.596 1.00 0.00 C ATOM 1371 CG GLU A 87 9.991 2.812 -12.537 1.00 0.00 C ATOM 1372 CD GLU A 87 11.008 1.736 -12.927 1.00 0.00 C ATOM 1373 OE1 GLU A 87 11.861 2.026 -13.750 1.00 0.00 O ATOM 1374 OE2 GLU A 87 10.914 0.641 -12.398 1.00 0.00 O ATOM 0 H GLU A 87 6.501 2.106 -13.280 1.00 0.00 H new ATOM 0 HA GLU A 87 8.098 4.327 -12.223 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.487 1.878 -13.776 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.299 3.229 -14.542 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.484 3.780 -12.451 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.561 2.586 -11.561 1.00 0.00 H new ATOM 1381 N GLU A 88 6.842 4.407 -15.304 1.00 0.00 N ATOM 1382 CA GLU A 88 6.481 5.349 -16.426 1.00 0.00 C ATOM 1383 C GLU A 88 6.402 4.581 -17.756 1.00 0.00 C ATOM 1384 O GLU A 88 5.412 3.946 -18.048 1.00 0.00 O ATOM 1385 CB GLU A 88 7.521 6.479 -16.562 1.00 0.00 C ATOM 1386 CG GLU A 88 6.978 7.761 -15.918 1.00 0.00 C ATOM 1387 CD GLU A 88 6.125 8.526 -16.934 1.00 0.00 C ATOM 1388 OE1 GLU A 88 5.042 8.055 -17.245 1.00 0.00 O ATOM 1389 OE2 GLU A 88 6.567 9.572 -17.384 1.00 0.00 O ATOM 0 H GLU A 88 6.570 3.436 -15.461 1.00 0.00 H new ATOM 0 HA GLU A 88 5.512 5.788 -16.191 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.455 6.187 -16.082 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.745 6.656 -17.614 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.381 7.514 -15.040 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.803 8.386 -15.577 1.00 0.00 H new ATOM 1396 N LEU A 89 7.425 4.671 -18.578 1.00 0.00 N ATOM 1397 CA LEU A 89 7.414 3.984 -19.912 1.00 0.00 C ATOM 1398 C LEU A 89 6.932 2.529 -19.782 1.00 0.00 C ATOM 1399 O LEU A 89 5.745 2.268 -19.793 1.00 0.00 O ATOM 1400 CB LEU A 89 8.833 4.031 -20.509 1.00 0.00 C ATOM 1401 CG LEU A 89 8.773 4.014 -22.045 1.00 0.00 C ATOM 1402 CD1 LEU A 89 8.036 2.762 -22.530 1.00 0.00 C ATOM 1403 CD2 LEU A 89 8.046 5.266 -22.549 1.00 0.00 C ATOM 0 H LEU A 89 8.276 5.197 -18.378 1.00 0.00 H new ATOM 0 HA LEU A 89 6.719 4.501 -20.574 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.347 4.930 -20.169 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.412 3.179 -20.153 1.00 0.00 H new ATOM 0 HG LEU A 89 9.790 4.003 -22.438 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.999 2.760 -23.619 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.562 1.873 -22.183 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.021 2.761 -22.133 1.00 0.00 H new ATOM 0 HD21 LEU A 89 8.006 5.250 -23.638 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.032 5.284 -22.149 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.582 6.156 -22.219 1.00 0.00 H new ATOM 1415 N VAL A 90 7.834 1.581 -19.667 1.00 0.00 N ATOM 1416 CA VAL A 90 7.427 0.145 -19.543 1.00 0.00 C ATOM 1417 C VAL A 90 8.670 -0.742 -19.690 1.00 0.00 C ATOM 1418 O VAL A 90 9.582 -0.430 -20.432 1.00 0.00 O ATOM 1419 CB VAL A 90 6.385 -0.206 -20.629 1.00 0.00 C ATOM 1420 CG1 VAL A 90 6.841 -1.416 -21.451 1.00 0.00 C ATOM 1421 CG2 VAL A 90 5.048 -0.538 -19.955 1.00 0.00 C ATOM 0 H VAL A 90 8.841 1.743 -19.654 1.00 0.00 H new ATOM 0 HA VAL A 90 6.975 -0.025 -18.566 1.00 0.00 H new ATOM 0 HB VAL A 90 6.275 0.650 -21.295 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.092 -1.644 -22.209 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.790 -1.189 -21.936 1.00 0.00 H new ATOM 0 HG13 VAL A 90 6.966 -2.276 -20.794 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.309 -0.787 -20.716 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.179 -1.388 -19.285 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.705 0.324 -19.384 1.00 0.00 H new ATOM 1431 N GLY A 91 8.708 -1.846 -18.989 1.00 0.00 N ATOM 1432 CA GLY A 91 9.886 -2.759 -19.087 1.00 0.00 C ATOM 1433 C GLY A 91 9.850 -3.491 -20.431 1.00 0.00 C ATOM 1434 O GLY A 91 10.848 -3.599 -21.116 1.00 0.00 O ATOM 0 H GLY A 91 7.973 -2.155 -18.352 1.00 0.00 H new ATOM 0 HA2 GLY A 91 10.811 -2.189 -18.995 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.872 -3.478 -18.268 1.00 0.00 H new ATOM 1438 N SER A 92 8.702 -3.991 -20.810 1.00 0.00 N ATOM 1439 CA SER A 92 8.585 -4.717 -22.109 1.00 0.00 C ATOM 1440 C SER A 92 7.156 -4.579 -22.641 1.00 0.00 C ATOM 1441 O SER A 92 6.234 -4.818 -21.879 1.00 0.00 O ATOM 1442 CB SER A 92 8.913 -6.197 -21.900 1.00 0.00 C ATOM 1443 OG SER A 92 8.256 -6.664 -20.728 1.00 0.00 O ATOM 0 H SER A 92 7.837 -3.927 -20.273 1.00 0.00 H new ATOM 0 HA SER A 92 9.284 -4.291 -22.828 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.594 -6.778 -22.765 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.990 -6.333 -21.805 1.00 0.00 H new ATOM 0 HG SER A 92 7.353 -6.285 -20.686 1.00 0.00 H new TER 1449 SER A 92