USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 610 hydrogens (32 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 NoAdj-H: A 15 HIS HE2 : A 15 HIS NE2 : A 90 HECFE :(H bumps) USER MOD NoAdj-H: A 90 HEC HAC : A 90 HEC CAC : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC HAB : A 90 HEC CAB : A 11 CYS SG :(H bumps) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 1.28 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 9 LYS NZ :NH3+ 170:sc= 0.743 (180deg=0.371) USER MOD Single : A -3 ALA N :NH3+ -144:sc= 0.112 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -35:sc= 0.555 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.075) USER MOD Single : A 27 ASN : amide:sc= 0.747 K(o=0.75,f=-1.8!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.884 X(o=-0.88,f=-0.55) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0352 USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00339) USER MOD Single : A 48 THR OG1 : rot 7:sc= 0.358 USER MOD Single : A 51 ASN : amide:sc= -1.56! K(o=-1.6!,f=0.095) USER MOD Single : A 53 MET CE :methyl 144:sc= -1.4 (180deg=-2.61) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.027 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 71:sc= -0.18 USER MOD Single : A 68 LYS NZ :NH3+ 159:sc= 1.32 (180deg=1.1) USER MOD Single : A 74 MET CE :methyl 154:sc= 0 (180deg=-0.293) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 152:sc= 1.15! (180deg=-2.75!) USER MOD Single : A 90 HEC O2A : rot -140:sc= -0.17 USER MOD Single : A 90 HEC O2D : rot 178:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -3 1.440 -2.313 -16.260 1.00 10.00 N ATOM 2 CA ALA A -3 2.512 -1.991 -15.294 1.00 10.00 C ATOM 3 C ALA A -3 3.606 -3.057 -15.413 1.00 10.00 C ATOM 4 O ALA A -3 3.809 -3.525 -16.532 1.00 10.00 O ATOM 5 CB ALA A -3 1.941 -1.824 -13.880 1.00 10.00 C ATOM 0 H1 ALA A -3 1.048 -1.432 -16.650 1.00 10.00 H new ATOM 0 H2 ALA A -3 1.830 -2.891 -17.032 1.00 10.00 H new ATOM 0 H3 ALA A -3 0.686 -2.843 -15.778 1.00 10.00 H new ATOM 0 HA ALA A -3 2.970 -1.029 -15.522 1.00 10.00 H new ATOM 0 HB1 ALA A -3 2.749 -1.588 -13.187 1.00 10.00 H new ATOM 0 HB2 ALA A -3 1.211 -1.015 -13.876 1.00 10.00 H new ATOM 0 HB3 ALA A -3 1.458 -2.751 -13.571 1.00 10.00 H new ATOM 13 N ASP A -2 4.254 -3.462 -14.316 1.00 10.00 N ATOM 14 CA ASP A -2 5.461 -4.273 -14.369 1.00 10.00 C ATOM 15 C ASP A -2 5.755 -4.936 -13.006 1.00 10.00 C ATOM 16 O ASP A -2 6.533 -4.445 -12.189 1.00 10.00 O ATOM 17 CB ASP A -2 6.627 -3.452 -14.974 1.00 10.00 C ATOM 18 CG ASP A -2 6.662 -1.961 -14.636 1.00 10.00 C ATOM 19 OD1 ASP A -2 5.716 -1.225 -15.000 1.00 10.00 O ATOM 20 OD2 ASP A -2 7.685 -1.458 -14.126 1.00 10.00 O ATOM 0 H ASP A -2 3.951 -3.233 -13.369 1.00 10.00 H new ATOM 0 HA ASP A -2 5.316 -5.115 -15.046 1.00 10.00 H new ATOM 0 HB2 ASP A -2 7.565 -3.898 -14.644 1.00 10.00 H new ATOM 0 HB3 ASP A -2 6.589 -3.555 -16.058 1.00 10.00 H new ATOM 25 N LEU A -1 5.130 -6.099 -12.779 1.00 10.00 N ATOM 26 CA LEU A -1 5.330 -6.959 -11.611 1.00 10.00 C ATOM 27 C LEU A -1 6.682 -7.678 -11.709 1.00 10.00 C ATOM 28 O LEU A -1 6.778 -8.862 -12.015 1.00 10.00 O ATOM 29 CB LEU A -1 4.143 -7.928 -11.523 1.00 10.00 C ATOM 30 CG LEU A -1 4.294 -9.012 -10.439 1.00 10.00 C ATOM 31 CD1 LEU A -1 3.172 -8.904 -9.411 1.00 10.00 C ATOM 32 CD2 LEU A -1 4.241 -10.411 -11.065 1.00 10.00 C ATOM 0 H LEU A -1 4.444 -6.479 -13.432 1.00 10.00 H new ATOM 0 HA LEU A -1 5.363 -6.373 -10.692 1.00 10.00 H new ATOM 0 HB2 LEU A -1 3.236 -7.357 -11.326 1.00 10.00 H new ATOM 0 HB3 LEU A -1 4.011 -8.413 -12.490 1.00 10.00 H new ATOM 0 HG LEU A -1 5.257 -8.859 -9.953 1.00 10.00 H new ATOM 0 HD11 LEU A -1 3.296 -9.678 -8.654 1.00 10.00 H new ATOM 0 HD12 LEU A -1 3.207 -7.923 -8.936 1.00 10.00 H new ATOM 0 HD13 LEU A -1 2.210 -9.033 -9.907 1.00 10.00 H new ATOM 0 HD21 LEU A -1 4.349 -11.163 -10.284 1.00 10.00 H new ATOM 0 HD22 LEU A -1 3.285 -10.548 -11.570 1.00 10.00 H new ATOM 0 HD23 LEU A -1 5.051 -10.518 -11.786 1.00 10.00 H new ATOM 44 N GLN A 1 7.742 -6.901 -11.504 1.00 10.00 N ATOM 45 CA GLN A 1 9.131 -7.360 -11.454 1.00 10.00 C ATOM 46 C GLN A 1 9.818 -7.213 -10.088 1.00 10.00 C ATOM 47 O GLN A 1 10.861 -7.830 -9.872 1.00 10.00 O ATOM 48 CB GLN A 1 9.915 -6.739 -12.626 1.00 10.00 C ATOM 49 CG GLN A 1 10.398 -7.820 -13.608 1.00 10.00 C ATOM 50 CD GLN A 1 10.532 -7.297 -15.033 1.00 10.00 C ATOM 51 OE1 GLN A 1 9.694 -7.563 -15.885 1.00 10.00 O ATOM 52 NE2 GLN A 1 11.588 -6.556 -15.332 1.00 10.00 N ATOM 0 H GLN A 1 7.656 -5.895 -11.362 1.00 10.00 H new ATOM 0 HA GLN A 1 9.121 -8.443 -11.580 1.00 10.00 H new ATOM 0 HB2 GLN A 1 9.282 -6.023 -13.151 1.00 10.00 H new ATOM 0 HB3 GLN A 1 10.771 -6.185 -12.241 1.00 10.00 H new ATOM 0 HG2 GLN A 1 11.361 -8.205 -13.274 1.00 10.00 H new ATOM 0 HG3 GLN A 1 9.699 -8.656 -13.596 1.00 10.00 H new ATOM 0 HE21 GLN A 1 12.280 -6.341 -14.614 1.00 10.00 H new ATOM 0 HE22 GLN A 1 11.710 -6.200 -16.280 1.00 10.00 H new ATOM 61 N ASP A 2 9.290 -6.354 -9.210 1.00 10.00 N ATOM 62 CA ASP A 2 9.874 -5.989 -7.933 1.00 10.00 C ATOM 63 C ASP A 2 8.755 -5.368 -7.080 1.00 10.00 C ATOM 64 O ASP A 2 7.695 -5.000 -7.582 1.00 10.00 O ATOM 65 CB ASP A 2 11.044 -5.012 -8.188 1.00 10.00 C ATOM 66 CG ASP A 2 11.998 -4.791 -7.014 1.00 10.00 C ATOM 67 OD1 ASP A 2 11.504 -4.562 -5.886 1.00 10.00 O ATOM 68 OD2 ASP A 2 13.218 -4.806 -7.280 1.00 10.00 O ATOM 0 H ASP A 2 8.405 -5.878 -9.386 1.00 10.00 H new ATOM 0 HA ASP A 2 10.282 -6.846 -7.397 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.621 -5.381 -9.036 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.629 -4.047 -8.480 1.00 10.00 H new ATOM 73 N ALA A 3 9.027 -5.198 -5.799 1.00 10.00 N ATOM 74 CA ALA A 3 8.223 -4.514 -4.807 1.00 10.00 C ATOM 75 C ALA A 3 8.373 -2.995 -4.890 1.00 10.00 C ATOM 76 O ALA A 3 7.371 -2.272 -4.919 1.00 10.00 O ATOM 77 CB ALA A 3 8.720 -5.031 -3.466 1.00 10.00 C ATOM 0 H ALA A 3 9.888 -5.566 -5.394 1.00 10.00 H new ATOM 0 HA ALA A 3 7.162 -4.711 -4.961 1.00 10.00 H new ATOM 0 HB1 ALA A 3 8.157 -4.557 -2.662 1.00 10.00 H new ATOM 0 HB2 ALA A 3 8.581 -6.111 -3.418 1.00 10.00 H new ATOM 0 HB3 ALA A 3 9.779 -4.796 -3.355 1.00 10.00 H new ATOM 83 N GLU A 4 9.619 -2.498 -4.938 1.00 10.00 N ATOM 84 CA GLU A 4 9.840 -1.054 -5.005 1.00 10.00 C ATOM 85 C GLU A 4 9.152 -0.461 -6.235 1.00 10.00 C ATOM 86 O GLU A 4 8.412 0.517 -6.140 1.00 10.00 O ATOM 87 CB GLU A 4 11.328 -0.687 -4.936 1.00 10.00 C ATOM 88 CG GLU A 4 11.536 0.821 -5.200 1.00 10.00 C ATOM 89 CD GLU A 4 12.481 1.498 -4.216 1.00 10.00 C ATOM 90 OE1 GLU A 4 13.661 1.095 -4.180 1.00 10.00 O ATOM 91 OE2 GLU A 4 11.993 2.416 -3.518 1.00 10.00 O ATOM 0 H GLU A 4 10.468 -3.063 -4.932 1.00 10.00 H new ATOM 0 HA GLU A 4 9.383 -0.608 -4.122 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.726 -0.947 -3.955 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.885 -1.269 -5.670 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.925 0.952 -6.210 1.00 10.00 H new ATOM 0 HG3 GLU A 4 10.569 1.323 -5.163 1.00 10.00 H new ATOM 98 N ALA A 5 9.319 -1.113 -7.387 1.00 10.00 N ATOM 99 CA ALA A 5 8.773 -0.607 -8.636 1.00 10.00 C ATOM 100 C ALA A 5 7.248 -0.637 -8.588 1.00 10.00 C ATOM 101 O ALA A 5 6.597 0.286 -9.064 1.00 10.00 O ATOM 102 CB ALA A 5 9.302 -1.444 -9.799 1.00 10.00 C ATOM 0 H ALA A 5 9.829 -1.992 -7.475 1.00 10.00 H new ATOM 0 HA ALA A 5 9.086 0.427 -8.782 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.893 -1.065 -10.736 1.00 10.00 H new ATOM 0 HB2 ALA A 5 10.390 -1.382 -9.827 1.00 10.00 H new ATOM 0 HB3 ALA A 5 9.001 -2.483 -9.666 1.00 10.00 H new ATOM 108 N ILE A 6 6.664 -1.632 -7.920 1.00 10.00 N ATOM 109 CA ILE A 6 5.220 -1.695 -7.774 1.00 10.00 C ATOM 110 C ILE A 6 4.710 -0.537 -6.910 1.00 10.00 C ATOM 111 O ILE A 6 3.834 0.196 -7.371 1.00 10.00 O ATOM 112 CB ILE A 6 4.825 -3.083 -7.245 1.00 10.00 C ATOM 113 CG1 ILE A 6 4.798 -4.121 -8.387 1.00 10.00 C ATOM 114 CG2 ILE A 6 3.494 -3.068 -6.478 1.00 10.00 C ATOM 115 CD1 ILE A 6 3.935 -3.754 -9.599 1.00 10.00 C ATOM 0 H ILE A 6 7.170 -2.398 -7.476 1.00 10.00 H new ATOM 0 HA ILE A 6 4.735 -1.570 -8.742 1.00 10.00 H new ATOM 0 HB ILE A 6 5.592 -3.377 -6.529 1.00 10.00 H new ATOM 0 HG12 ILE A 6 5.820 -4.285 -8.728 1.00 10.00 H new ATOM 0 HG13 ILE A 6 4.441 -5.069 -7.984 1.00 10.00 H new ATOM 0 HG21 ILE A 6 3.265 -4.074 -6.128 1.00 10.00 H new ATOM 0 HG22 ILE A 6 3.574 -2.396 -5.624 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.698 -2.723 -7.138 1.00 10.00 H new ATOM 0 HD11 ILE A 6 3.989 -4.552 -10.339 1.00 10.00 H new ATOM 0 HD12 ILE A 6 2.900 -3.622 -9.282 1.00 10.00 H new ATOM 0 HD13 ILE A 6 4.301 -2.826 -10.039 1.00 10.00 H new ATOM 127 N TYR A 7 5.267 -0.281 -5.717 1.00 10.00 N ATOM 128 CA TYR A 7 4.729 0.857 -4.960 1.00 10.00 C ATOM 129 C TYR A 7 5.039 2.188 -5.668 1.00 10.00 C ATOM 130 O TYR A 7 4.181 3.062 -5.754 1.00 10.00 O ATOM 131 CB TYR A 7 5.122 0.850 -3.469 1.00 10.00 C ATOM 132 CG TYR A 7 6.357 1.648 -3.111 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.298 3.053 -3.018 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.587 0.993 -2.945 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.487 3.800 -2.937 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.773 1.743 -2.877 1.00 10.00 C ATOM 137 CZ TYR A 7 8.727 3.143 -2.919 1.00 10.00 C ATOM 138 OH TYR A 7 9.876 3.868 -2.941 1.00 10.00 O ATOM 0 H TYR A 7 6.030 -0.800 -5.282 1.00 10.00 H new ATOM 0 HA TYR A 7 3.645 0.744 -4.949 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.283 1.235 -2.889 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.277 -0.183 -3.158 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.342 3.555 -3.009 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.622 -0.084 -2.870 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.446 4.878 -2.889 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.724 1.239 -2.792 1.00 10.00 H new ATOM 0 HH TYR A 7 10.646 3.262 -2.923 1.00 10.00 H new ATOM 148 N ASN A 8 6.239 2.310 -6.238 1.00 10.00 N ATOM 149 CA ASN A 8 6.735 3.499 -6.919 1.00 10.00 C ATOM 150 C ASN A 8 6.010 3.781 -8.246 1.00 10.00 C ATOM 151 O ASN A 8 6.023 4.909 -8.723 1.00 10.00 O ATOM 152 CB ASN A 8 8.247 3.328 -7.089 1.00 10.00 C ATOM 153 CG ASN A 8 8.968 4.584 -7.549 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.601 5.702 -7.220 1.00 10.00 O ATOM 155 ND2 ASN A 8 10.043 4.407 -8.302 1.00 10.00 N ATOM 0 H ASN A 8 6.918 1.549 -6.236 1.00 10.00 H new ATOM 0 HA ASN A 8 6.526 4.383 -6.317 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.674 3.005 -6.140 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.433 2.532 -7.810 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.582 5.213 -8.619 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.332 3.465 -8.565 1.00 10.00 H new ATOM 162 N LYS A 9 5.390 2.770 -8.864 1.00 10.00 N ATOM 163 CA LYS A 9 4.505 2.932 -10.021 1.00 10.00 C ATOM 164 C LYS A 9 3.021 3.084 -9.633 1.00 10.00 C ATOM 165 O LYS A 9 2.263 3.695 -10.384 1.00 10.00 O ATOM 166 CB LYS A 9 4.703 1.748 -10.976 1.00 10.00 C ATOM 167 CG LYS A 9 4.409 2.075 -12.450 1.00 10.00 C ATOM 168 CD LYS A 9 5.659 2.649 -13.143 1.00 10.00 C ATOM 169 CE LYS A 9 6.754 1.576 -13.318 1.00 10.00 C ATOM 170 NZ LYS A 9 6.853 1.058 -14.694 1.00 10.00 N ATOM 0 H LYS A 9 5.491 1.799 -8.568 1.00 10.00 H new ATOM 0 HA LYS A 9 4.778 3.863 -10.518 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.731 1.394 -10.891 1.00 10.00 H new ATOM 0 HB3 LYS A 9 4.057 0.929 -10.661 1.00 10.00 H new ATOM 0 HG2 LYS A 9 4.082 1.174 -12.969 1.00 10.00 H new ATOM 0 HG3 LYS A 9 3.591 2.793 -12.512 1.00 10.00 H new ATOM 0 HD2 LYS A 9 5.383 3.051 -14.118 1.00 10.00 H new ATOM 0 HD3 LYS A 9 6.052 3.479 -12.556 1.00 10.00 H new ATOM 0 HE2 LYS A 9 7.716 1.998 -13.027 1.00 10.00 H new ATOM 0 HE3 LYS A 9 6.552 0.747 -12.640 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 7.708 0.473 -14.784 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 6.015 0.481 -14.909 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 6.906 1.854 -15.362 1.00 10.00 H new ATOM 184 N ALA A 10 2.589 2.498 -8.506 1.00 10.00 N ATOM 185 CA ALA A 10 1.173 2.369 -8.134 1.00 10.00 C ATOM 186 C ALA A 10 0.803 3.219 -6.911 1.00 10.00 C ATOM 187 O ALA A 10 0.045 4.183 -7.024 1.00 10.00 O ATOM 188 CB ALA A 10 0.831 0.893 -7.914 1.00 10.00 C ATOM 0 H ALA A 10 3.224 2.094 -7.817 1.00 10.00 H new ATOM 0 HA ALA A 10 0.574 2.756 -8.959 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.219 0.800 -7.638 1.00 10.00 H new ATOM 0 HB2 ALA A 10 1.016 0.336 -8.832 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.453 0.491 -7.114 1.00 10.00 H new ATOM 194 N CYS A 11 1.369 2.919 -5.737 1.00 10.00 N ATOM 195 CA CYS A 11 1.156 3.660 -4.489 1.00 10.00 C ATOM 196 C CYS A 11 1.946 4.993 -4.496 1.00 10.00 C ATOM 197 O CYS A 11 2.551 5.401 -3.505 1.00 10.00 O ATOM 198 CB CYS A 11 1.492 2.792 -3.285 1.00 10.00 C ATOM 199 SG CYS A 11 1.421 0.988 -3.528 1.00 10.00 S ATOM 0 H CYS A 11 2.007 2.131 -5.626 1.00 10.00 H new ATOM 0 HA CYS A 11 0.100 3.919 -4.412 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.496 3.050 -2.950 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.809 3.053 -2.477 1.00 10.00 H new ATOM 204 N THR A 12 1.933 5.691 -5.636 1.00 10.00 N ATOM 205 CA THR A 12 2.857 6.773 -5.965 1.00 10.00 C ATOM 206 C THR A 12 2.174 8.068 -6.378 1.00 10.00 C ATOM 207 O THR A 12 2.845 9.061 -6.653 1.00 10.00 O ATOM 208 CB THR A 12 3.811 6.305 -7.066 1.00 10.00 C ATOM 209 OG1 THR A 12 4.881 7.210 -7.151 1.00 10.00 O ATOM 210 CG2 THR A 12 3.117 6.227 -8.433 1.00 10.00 C ATOM 0 H THR A 12 1.256 5.510 -6.377 1.00 10.00 H new ATOM 0 HA THR A 12 3.404 7.006 -5.051 1.00 10.00 H new ATOM 0 HB THR A 12 4.159 5.305 -6.809 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.558 8.117 -6.967 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.831 5.891 -9.185 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.287 5.522 -8.380 1.00 10.00 H new ATOM 0 HG23 THR A 12 2.740 7.212 -8.706 1.00 10.00 H new ATOM 218 N VAL A 13 0.845 8.047 -6.440 1.00 10.00 N ATOM 219 CA VAL A 13 0.037 9.150 -6.929 1.00 10.00 C ATOM 220 C VAL A 13 -0.574 9.885 -5.732 1.00 10.00 C ATOM 221 O VAL A 13 -0.420 11.091 -5.562 1.00 10.00 O ATOM 222 CB VAL A 13 -1.029 8.575 -7.876 1.00 10.00 C ATOM 223 CG1 VAL A 13 -1.755 9.735 -8.543 1.00 10.00 C ATOM 224 CG2 VAL A 13 -0.418 7.678 -8.964 1.00 10.00 C ATOM 0 H VAL A 13 0.292 7.243 -6.144 1.00 10.00 H new ATOM 0 HA VAL A 13 0.631 9.875 -7.486 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.711 7.962 -7.287 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.516 9.347 -9.220 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -2.228 10.354 -7.781 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -1.041 10.335 -9.106 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -1.210 7.296 -9.608 1.00 10.00 H new ATOM 0 HG22 VAL A 13 0.286 8.258 -9.561 1.00 10.00 H new ATOM 0 HG23 VAL A 13 0.104 6.843 -8.496 1.00 10.00 H new ATOM 234 N CYS A 14 -1.231 9.108 -4.872 1.00 10.00 N ATOM 235 CA CYS A 14 -1.823 9.541 -3.622 1.00 10.00 C ATOM 236 C CYS A 14 -0.756 9.625 -2.524 1.00 10.00 C ATOM 237 O CYS A 14 -0.451 10.703 -2.027 1.00 10.00 O ATOM 238 CB CYS A 14 -2.874 8.522 -3.284 1.00 10.00 C ATOM 239 SG CYS A 14 -4.424 8.882 -4.148 1.00 10.00 S ATOM 0 H CYS A 14 -1.368 8.112 -5.043 1.00 10.00 H new ATOM 0 HA CYS A 14 -2.260 10.536 -3.707 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.523 7.527 -3.558 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -3.046 8.514 -2.208 1.00 10.00 H new ATOM 244 N HIS A 15 -0.175 8.480 -2.155 1.00 10.00 N ATOM 245 CA HIS A 15 0.601 8.289 -0.928 1.00 10.00 C ATOM 246 C HIS A 15 1.994 8.939 -0.946 1.00 10.00 C ATOM 247 O HIS A 15 2.650 9.036 0.093 1.00 10.00 O ATOM 248 CB HIS A 15 0.775 6.781 -0.742 1.00 10.00 C ATOM 249 CG HIS A 15 -0.426 6.052 -0.215 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.496 5.533 1.046 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.466 5.540 -0.936 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.526 4.673 1.078 1.00 10.00 C ATOM 253 NE2 HIS A 15 -2.196 4.689 -0.091 1.00 10.00 N ATOM 0 H HIS A 15 -0.234 7.633 -2.721 1.00 10.00 H new ATOM 0 HA HIS A 15 0.055 8.771 -0.117 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.052 6.344 -1.701 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.609 6.610 -0.062 1.00 10.00 H new ATOM 0 HD1 HIS A 15 0.124 5.758 1.824 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.688 5.752 -1.972 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.783 4.053 1.924 1.00 10.00 H new ATOM 261 N SER A 16 2.456 9.361 -2.125 1.00 10.00 N ATOM 262 CA SER A 16 3.769 9.979 -2.294 1.00 10.00 C ATOM 263 C SER A 16 3.772 11.406 -1.731 1.00 10.00 C ATOM 264 O SER A 16 4.736 11.834 -1.101 1.00 10.00 O ATOM 265 CB SER A 16 4.157 9.942 -3.778 1.00 10.00 C ATOM 266 OG SER A 16 5.563 9.955 -3.919 1.00 10.00 O ATOM 0 H SER A 16 1.926 9.282 -2.993 1.00 10.00 H new ATOM 0 HA SER A 16 4.516 9.419 -1.732 1.00 10.00 H new ATOM 0 HB2 SER A 16 3.746 9.047 -4.246 1.00 10.00 H new ATOM 0 HB3 SER A 16 3.725 10.799 -4.295 1.00 10.00 H new ATOM 0 HG SER A 16 5.797 9.929 -4.870 1.00 10.00 H new ATOM 272 N MET A 17 2.660 12.124 -1.946 1.00 10.00 N ATOM 273 CA MET A 17 2.476 13.520 -1.551 1.00 10.00 C ATOM 274 C MET A 17 1.332 13.713 -0.535 1.00 10.00 C ATOM 275 O MET A 17 1.408 14.586 0.326 1.00 10.00 O ATOM 276 CB MET A 17 2.241 14.349 -2.824 1.00 10.00 C ATOM 277 CG MET A 17 2.897 15.729 -2.701 1.00 10.00 C ATOM 278 SD MET A 17 4.707 15.710 -2.817 1.00 10.00 S ATOM 279 CE MET A 17 5.063 17.449 -2.520 1.00 10.00 C ATOM 0 H MET A 17 1.842 11.734 -2.414 1.00 10.00 H new ATOM 0 HA MET A 17 3.375 13.859 -1.037 1.00 10.00 H new ATOM 0 HB2 MET A 17 2.649 13.823 -3.687 1.00 10.00 H new ATOM 0 HB3 MET A 17 1.171 14.464 -2.997 1.00 10.00 H new ATOM 0 HG2 MET A 17 2.502 16.377 -3.483 1.00 10.00 H new ATOM 0 HG3 MET A 17 2.611 16.170 -1.746 1.00 10.00 H new ATOM 0 HE1 MET A 17 6.140 17.611 -2.557 1.00 10.00 H new ATOM 0 HE2 MET A 17 4.578 18.055 -3.285 1.00 10.00 H new ATOM 0 HE3 MET A 17 4.687 17.735 -1.538 1.00 10.00 H new ATOM 289 N GLY A 18 0.269 12.910 -0.648 1.00 10.00 N ATOM 290 CA GLY A 18 -0.903 12.917 0.228 1.00 10.00 C ATOM 291 C GLY A 18 -2.043 13.809 -0.285 1.00 10.00 C ATOM 292 O GLY A 18 -2.562 14.644 0.449 1.00 10.00 O ATOM 0 H GLY A 18 0.201 12.208 -1.385 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -1.271 11.897 0.338 1.00 10.00 H new ATOM 0 HA3 GLY A 18 -0.604 13.257 1.220 1.00 10.00 H new ATOM 296 N VAL A 19 -2.466 13.616 -1.541 1.00 10.00 N ATOM 297 CA VAL A 19 -3.465 14.478 -2.191 1.00 10.00 C ATOM 298 C VAL A 19 -4.879 14.216 -1.689 1.00 10.00 C ATOM 299 O VAL A 19 -5.548 15.100 -1.163 1.00 10.00 O ATOM 300 CB VAL A 19 -3.386 14.366 -3.726 1.00 10.00 C ATOM 301 CG1 VAL A 19 -4.448 15.249 -4.402 1.00 10.00 C ATOM 302 CG2 VAL A 19 -2.005 14.792 -4.235 1.00 10.00 C ATOM 0 H VAL A 19 -2.127 12.860 -2.135 1.00 10.00 H new ATOM 0 HA VAL A 19 -3.221 15.503 -1.914 1.00 10.00 H new ATOM 0 HB VAL A 19 -3.566 13.321 -3.979 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -4.368 15.150 -5.485 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -5.441 14.934 -4.081 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -4.289 16.290 -4.120 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -1.974 14.704 -5.321 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.815 15.827 -3.949 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -1.242 14.149 -3.797 1.00 10.00 H new ATOM 312 N ALA A 20 -5.326 12.970 -1.791 1.00 10.00 N ATOM 313 CA ALA A 20 -6.658 12.551 -1.373 1.00 10.00 C ATOM 314 C ALA A 20 -6.700 12.273 0.136 1.00 10.00 C ATOM 315 O ALA A 20 -7.367 11.352 0.596 1.00 10.00 O ATOM 316 CB ALA A 20 -7.029 11.336 -2.212 1.00 10.00 C ATOM 0 H ALA A 20 -4.763 12.210 -2.173 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.391 13.340 -1.539 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -8.023 10.989 -1.930 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -7.026 11.608 -3.268 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -6.304 10.540 -2.040 1.00 10.00 H new ATOM 322 N GLY A 21 -5.914 13.041 0.891 1.00 10.00 N ATOM 323 CA GLY A 21 -5.660 12.817 2.315 1.00 10.00 C ATOM 324 C GLY A 21 -4.906 11.506 2.581 1.00 10.00 C ATOM 325 O GLY A 21 -4.953 10.963 3.680 1.00 10.00 O ATOM 0 H GLY A 21 -5.424 13.856 0.521 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.082 13.651 2.713 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -6.609 12.802 2.852 1.00 10.00 H new ATOM 329 N ALA A 22 -4.211 10.986 1.563 1.00 10.00 N ATOM 330 CA ALA A 22 -3.581 9.676 1.622 1.00 10.00 C ATOM 331 C ALA A 22 -2.433 9.592 2.654 1.00 10.00 C ATOM 332 O ALA A 22 -1.643 10.529 2.784 1.00 10.00 O ATOM 333 CB ALA A 22 -3.130 9.282 0.216 1.00 10.00 C ATOM 0 H ALA A 22 -4.073 11.469 0.675 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.319 8.958 1.980 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.656 8.301 0.248 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.995 9.246 -0.447 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.417 10.018 -0.157 1.00 10.00 H new ATOM 339 N PRO A 23 -2.329 8.462 3.374 1.00 10.00 N ATOM 340 CA PRO A 23 -1.347 8.223 4.432 1.00 10.00 C ATOM 341 C PRO A 23 0.060 8.042 3.847 1.00 10.00 C ATOM 342 O PRO A 23 0.218 7.460 2.772 1.00 10.00 O ATOM 343 CB PRO A 23 -1.857 6.957 5.101 1.00 10.00 C ATOM 344 CG PRO A 23 -2.552 6.182 4.002 1.00 10.00 C ATOM 345 CD PRO A 23 -3.176 7.294 3.181 1.00 10.00 C ATOM 0 HA PRO A 23 -1.252 9.053 5.132 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -1.038 6.381 5.532 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -2.544 7.190 5.914 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -1.852 5.586 3.417 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -3.301 5.496 4.397 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -3.227 7.019 2.127 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -4.196 7.494 3.508 1.00 10.00 H new ATOM 353 N LYS A 24 1.099 8.535 4.528 1.00 10.00 N ATOM 354 CA LYS A 24 2.413 8.663 3.889 1.00 10.00 C ATOM 355 C LYS A 24 3.064 7.313 3.556 1.00 10.00 C ATOM 356 O LYS A 24 3.010 6.359 4.337 1.00 10.00 O ATOM 357 CB LYS A 24 3.410 9.464 4.736 1.00 10.00 C ATOM 358 CG LYS A 24 3.194 10.981 4.799 1.00 10.00 C ATOM 359 CD LYS A 24 4.551 11.594 5.187 1.00 10.00 C ATOM 360 CE LYS A 24 4.473 13.089 5.503 1.00 10.00 C ATOM 361 NZ LYS A 24 5.815 13.611 5.847 1.00 10.00 N ATOM 0 H LYS A 24 1.060 8.846 5.499 1.00 10.00 H new ATOM 0 HA LYS A 24 2.199 9.197 2.963 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.384 9.074 5.753 1.00 10.00 H new ATOM 0 HB3 LYS A 24 4.412 9.278 4.349 1.00 10.00 H new ATOM 0 HG2 LYS A 24 2.854 11.366 3.837 1.00 10.00 H new ATOM 0 HG3 LYS A 24 2.429 11.235 5.532 1.00 10.00 H new ATOM 0 HD2 LYS A 24 4.945 11.066 6.056 1.00 10.00 H new ATOM 0 HD3 LYS A 24 5.258 11.439 4.372 1.00 10.00 H new ATOM 0 HE2 LYS A 24 4.074 13.629 4.644 1.00 10.00 H new ATOM 0 HE3 LYS A 24 3.786 13.257 6.332 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 5.748 14.627 6.059 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 6.181 13.106 6.680 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 6.460 13.467 5.044 1.00 10.00 H new ATOM 375 N SER A 25 3.791 7.287 2.433 1.00 10.00 N ATOM 376 CA SER A 25 4.796 6.270 2.113 1.00 10.00 C ATOM 377 C SER A 25 5.671 5.873 3.317 1.00 10.00 C ATOM 378 O SER A 25 5.949 4.691 3.500 1.00 10.00 O ATOM 379 CB SER A 25 5.667 6.789 0.965 1.00 10.00 C ATOM 380 OG SER A 25 6.294 7.996 1.363 1.00 10.00 O ATOM 0 H SER A 25 3.693 7.992 1.703 1.00 10.00 H new ATOM 0 HA SER A 25 4.268 5.362 1.820 1.00 10.00 H new ATOM 0 HB2 SER A 25 6.419 6.046 0.698 1.00 10.00 H new ATOM 0 HB3 SER A 25 5.057 6.958 0.078 1.00 10.00 H new ATOM 0 HG SER A 25 6.854 8.331 0.631 1.00 10.00 H new ATOM 386 N HIS A 26 6.074 6.841 4.153 1.00 10.00 N ATOM 387 CA HIS A 26 6.754 6.618 5.421 1.00 10.00 C ATOM 388 C HIS A 26 6.115 7.470 6.533 1.00 10.00 C ATOM 389 O HIS A 26 6.005 8.689 6.434 1.00 10.00 O ATOM 390 CB HIS A 26 8.269 6.847 5.275 1.00 10.00 C ATOM 391 CG HIS A 26 8.734 8.275 5.434 1.00 10.00 C ATOM 392 ND1 HIS A 26 9.566 8.733 6.430 1.00 10.00 N ATOM 393 CD2 HIS A 26 8.327 9.363 4.706 1.00 10.00 C ATOM 394 CE1 HIS A 26 9.658 10.067 6.303 1.00 10.00 C ATOM 395 NE2 HIS A 26 8.914 10.502 5.273 1.00 10.00 N ATOM 0 H HIS A 26 5.927 7.830 3.951 1.00 10.00 H new ATOM 0 HA HIS A 26 6.629 5.577 5.718 1.00 10.00 H new ATOM 0 HB2 HIS A 26 8.784 6.232 6.014 1.00 10.00 H new ATOM 0 HB3 HIS A 26 8.579 6.491 4.293 1.00 10.00 H new ATOM 0 HD2 HIS A 26 7.671 9.345 3.848 1.00 10.00 H new ATOM 0 HE1 HIS A 26 10.250 10.704 6.943 1.00 10.00 H new ATOM 0 HE2 HIS A 26 8.799 11.468 4.965 1.00 10.00 H new ATOM 403 N ASN A 27 5.663 6.802 7.588 1.00 10.00 N ATOM 404 CA ASN A 27 5.158 7.369 8.830 1.00 10.00 C ATOM 405 C ASN A 27 5.355 6.319 9.939 1.00 10.00 C ATOM 406 O ASN A 27 5.656 5.167 9.627 1.00 10.00 O ATOM 407 CB ASN A 27 3.662 7.687 8.639 1.00 10.00 C ATOM 408 CG ASN A 27 3.318 9.169 8.531 1.00 10.00 C ATOM 409 OD1 ASN A 27 4.077 10.037 8.945 1.00 10.00 O ATOM 410 ND2 ASN A 27 2.144 9.494 8.004 1.00 10.00 N ATOM 0 H ASN A 27 5.639 5.782 7.598 1.00 10.00 H new ATOM 0 HA ASN A 27 5.683 8.285 9.102 1.00 10.00 H new ATOM 0 HB2 ASN A 27 3.313 7.184 7.737 1.00 10.00 H new ATOM 0 HB3 ASN A 27 3.108 7.263 9.476 1.00 10.00 H new ATOM 0 HD21 ASN A 27 1.867 10.474 7.941 1.00 10.00 H new ATOM 0 HD22 ASN A 27 1.519 8.764 7.662 1.00 10.00 H new ATOM 417 N THR A 28 5.144 6.681 11.210 1.00 10.00 N ATOM 418 CA THR A 28 5.087 5.683 12.292 1.00 10.00 C ATOM 419 C THR A 28 3.670 5.537 12.863 1.00 10.00 C ATOM 420 O THR A 28 3.179 4.425 13.020 1.00 10.00 O ATOM 421 CB THR A 28 6.052 6.122 13.407 1.00 10.00 C ATOM 422 OG1 THR A 28 7.348 6.296 12.877 1.00 10.00 O ATOM 423 CG2 THR A 28 6.144 5.107 14.545 1.00 10.00 C ATOM 0 H THR A 28 5.011 7.645 11.515 1.00 10.00 H new ATOM 0 HA THR A 28 5.375 4.713 11.887 1.00 10.00 H new ATOM 0 HB THR A 28 5.655 7.055 13.808 1.00 10.00 H new ATOM 0 HG1 THR A 28 7.958 6.577 13.590 1.00 10.00 H new ATOM 0 HG21 THR A 28 6.839 5.471 15.302 1.00 10.00 H new ATOM 0 HG22 THR A 28 5.159 4.971 14.992 1.00 10.00 H new ATOM 0 HG23 THR A 28 6.499 4.154 14.154 1.00 10.00 H new ATOM 431 N ALA A 29 2.927 6.641 12.986 1.00 10.00 N ATOM 432 CA ALA A 29 1.594 6.630 13.599 1.00 10.00 C ATOM 433 C ALA A 29 0.493 6.205 12.621 1.00 10.00 C ATOM 434 O ALA A 29 -0.597 5.811 13.019 1.00 10.00 O ATOM 435 CB ALA A 29 1.300 8.020 14.145 1.00 10.00 C ATOM 0 H ALA A 29 3.229 7.561 12.666 1.00 10.00 H new ATOM 0 HA ALA A 29 1.597 5.891 14.400 1.00 10.00 H new ATOM 0 HB1 ALA A 29 0.312 8.029 14.605 1.00 10.00 H new ATOM 0 HB2 ALA A 29 2.049 8.284 14.891 1.00 10.00 H new ATOM 0 HB3 ALA A 29 1.328 8.744 13.331 1.00 10.00 H new ATOM 441 N ASP A 30 0.795 6.308 11.328 1.00 10.00 N ATOM 442 CA ASP A 30 -0.057 5.945 10.213 1.00 10.00 C ATOM 443 C ASP A 30 -0.030 4.414 9.999 1.00 10.00 C ATOM 444 O ASP A 30 -1.038 3.785 9.668 1.00 10.00 O ATOM 445 CB ASP A 30 0.537 6.743 9.046 1.00 10.00 C ATOM 446 CG ASP A 30 -0.402 7.097 7.941 1.00 10.00 C ATOM 447 OD1 ASP A 30 -1.494 6.495 7.907 1.00 10.00 O ATOM 448 OD2 ASP A 30 0.057 7.952 7.143 1.00 10.00 O ATOM 0 H ASP A 30 1.697 6.670 11.020 1.00 10.00 H new ATOM 0 HA ASP A 30 -1.113 6.178 10.351 1.00 10.00 H new ATOM 0 HB2 ASP A 30 0.961 7.665 9.443 1.00 10.00 H new ATOM 0 HB3 ASP A 30 1.362 6.169 8.624 1.00 10.00 H new ATOM 453 N TRP A 31 1.152 3.829 10.240 1.00 10.00 N ATOM 454 CA TRP A 31 1.491 2.412 10.122 1.00 10.00 C ATOM 455 C TRP A 31 1.216 1.621 11.423 1.00 10.00 C ATOM 456 O TRP A 31 0.730 0.487 11.358 1.00 10.00 O ATOM 457 CB TRP A 31 2.959 2.314 9.662 1.00 10.00 C ATOM 458 CG TRP A 31 3.255 2.850 8.282 1.00 10.00 C ATOM 459 CD1 TRP A 31 3.385 4.154 7.950 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.389 2.130 7.020 1.00 10.00 C ATOM 461 NE1 TRP A 31 3.536 4.308 6.590 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.526 3.087 5.968 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.352 0.769 6.644 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.544 2.728 4.621 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.328 0.401 5.288 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.400 1.378 4.291 1.00 10.00 C ATOM 0 H TRP A 31 1.954 4.380 10.546 1.00 10.00 H new ATOM 0 HA TRP A 31 0.845 1.942 9.380 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.581 2.849 10.380 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.261 1.267 9.697 1.00 10.00 H new ATOM 0 HD1 TRP A 31 3.372 4.969 8.659 1.00 10.00 H new ATOM 0 HE1 TRP A 31 3.640 5.204 6.113 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.342 0.004 7.406 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 3.666 3.475 3.851 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.254 -0.641 5.015 1.00 10.00 H new ATOM 0 HH2 TRP A 31 3.344 1.086 3.253 1.00 10.00 H new ATOM 477 N GLU A 32 1.469 2.209 12.606 1.00 10.00 N ATOM 478 CA GLU A 32 1.128 1.619 13.911 1.00 10.00 C ATOM 479 C GLU A 32 -0.244 0.909 13.940 1.00 10.00 C ATOM 480 O GLU A 32 -0.291 -0.304 14.151 1.00 10.00 O ATOM 481 CB GLU A 32 1.231 2.692 15.007 1.00 10.00 C ATOM 482 CG GLU A 32 2.608 2.700 15.689 1.00 10.00 C ATOM 483 CD GLU A 32 2.802 3.896 16.617 1.00 10.00 C ATOM 484 OE1 GLU A 32 1.801 4.602 16.867 1.00 10.00 O ATOM 485 OE2 GLU A 32 3.958 4.088 17.048 1.00 10.00 O ATOM 0 H GLU A 32 1.922 3.120 12.682 1.00 10.00 H new ATOM 0 HA GLU A 32 1.855 0.830 14.102 1.00 10.00 H new ATOM 0 HB2 GLU A 32 1.038 3.672 14.571 1.00 10.00 H new ATOM 0 HB3 GLU A 32 0.458 2.518 15.756 1.00 10.00 H new ATOM 0 HG2 GLU A 32 2.731 1.780 16.260 1.00 10.00 H new ATOM 0 HG3 GLU A 32 3.386 2.708 14.926 1.00 10.00 H new ATOM 492 N PRO A 33 -1.364 1.605 13.666 1.00 10.00 N ATOM 493 CA PRO A 33 -2.708 1.022 13.644 1.00 10.00 C ATOM 494 C PRO A 33 -2.973 0.052 12.470 1.00 10.00 C ATOM 495 O PRO A 33 -4.127 -0.168 12.099 1.00 10.00 O ATOM 496 CB PRO A 33 -3.653 2.234 13.631 1.00 10.00 C ATOM 497 CG PRO A 33 -2.830 3.315 12.936 1.00 10.00 C ATOM 498 CD PRO A 33 -1.427 3.039 13.450 1.00 10.00 C ATOM 0 HA PRO A 33 -2.859 0.379 14.511 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.574 2.020 13.089 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -3.938 2.532 14.640 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -2.888 3.235 11.851 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -3.170 4.317 13.200 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.675 3.360 12.729 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -1.234 3.583 14.375 1.00 10.00 H new ATOM 506 N ARG A 34 -1.928 -0.526 11.868 1.00 10.00 N ATOM 507 CA ARG A 34 -1.981 -1.644 10.926 1.00 10.00 C ATOM 508 C ARG A 34 -1.056 -2.779 11.408 1.00 10.00 C ATOM 509 O ARG A 34 -1.488 -3.927 11.562 1.00 10.00 O ATOM 510 CB ARG A 34 -1.625 -1.143 9.521 1.00 10.00 C ATOM 511 CG ARG A 34 -2.744 -0.287 8.914 1.00 10.00 C ATOM 512 CD ARG A 34 -2.647 1.181 9.351 1.00 10.00 C ATOM 513 NE ARG A 34 -3.871 1.617 10.038 1.00 10.00 N ATOM 514 CZ ARG A 34 -4.450 2.803 9.833 1.00 10.00 C ATOM 515 NH1 ARG A 34 -3.755 3.830 9.364 1.00 10.00 N ATOM 516 NH2 ARG A 34 -5.747 2.966 10.031 1.00 10.00 N ATOM 0 H ARG A 34 -0.973 -0.208 12.035 1.00 10.00 H new ATOM 0 HA ARG A 34 -2.989 -2.056 10.879 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -0.706 -0.559 9.567 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.428 -1.996 8.871 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -2.696 -0.345 7.827 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -3.712 -0.691 9.212 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -1.791 1.309 10.013 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -2.473 1.811 8.479 1.00 10.00 H new ATOM 0 HE ARG A 34 -4.302 0.979 10.708 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -2.763 3.721 9.154 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -4.213 4.729 9.213 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -6.318 2.181 10.344 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -6.177 3.877 9.871 1.00 10.00 H new ATOM 530 N LEU A 35 0.179 -2.425 11.790 1.00 10.00 N ATOM 531 CA LEU A 35 1.145 -3.271 12.506 1.00 10.00 C ATOM 532 C LEU A 35 0.606 -3.870 13.822 1.00 10.00 C ATOM 533 O LEU A 35 1.279 -4.688 14.445 1.00 10.00 O ATOM 534 CB LEU A 35 2.404 -2.426 12.793 1.00 10.00 C ATOM 535 CG LEU A 35 3.539 -2.650 11.780 1.00 10.00 C ATOM 536 CD1 LEU A 35 4.412 -1.393 11.703 1.00 10.00 C ATOM 537 CD2 LEU A 35 4.398 -3.844 12.213 1.00 10.00 C ATOM 0 H LEU A 35 0.550 -1.494 11.599 1.00 10.00 H new ATOM 0 HA LEU A 35 1.366 -4.124 11.865 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.131 -1.371 12.793 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.769 -2.661 13.793 1.00 10.00 H new ATOM 0 HG LEU A 35 3.108 -2.856 10.800 1.00 10.00 H new ATOM 0 HD11 LEU A 35 5.216 -1.552 10.985 1.00 10.00 H new ATOM 0 HD12 LEU A 35 3.804 -0.546 11.385 1.00 10.00 H new ATOM 0 HD13 LEU A 35 4.838 -1.185 12.685 1.00 10.00 H new ATOM 0 HD21 LEU A 35 5.200 -3.996 11.491 1.00 10.00 H new ATOM 0 HD22 LEU A 35 4.827 -3.646 13.195 1.00 10.00 H new ATOM 0 HD23 LEU A 35 3.778 -4.739 12.262 1.00 10.00 H new ATOM 549 N ALA A 36 -0.606 -3.494 14.245 1.00 10.00 N ATOM 550 CA ALA A 36 -1.266 -3.990 15.436 1.00 10.00 C ATOM 551 C ALA A 36 -1.858 -5.373 15.162 1.00 10.00 C ATOM 552 O ALA A 36 -1.932 -6.208 16.061 1.00 10.00 O ATOM 553 CB ALA A 36 -2.360 -2.997 15.840 1.00 10.00 C ATOM 0 H ALA A 36 -1.168 -2.808 13.740 1.00 10.00 H new ATOM 0 HA ALA A 36 -0.550 -4.085 16.253 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -2.866 -3.357 16.736 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -1.912 -2.024 16.043 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -3.082 -2.901 15.029 1.00 10.00 H new ATOM 559 N LYS A 37 -2.271 -5.608 13.908 1.00 10.00 N ATOM 560 CA LYS A 37 -2.647 -6.931 13.438 1.00 10.00 C ATOM 561 C LYS A 37 -1.437 -7.650 12.834 1.00 10.00 C ATOM 562 O LYS A 37 -1.077 -8.739 13.273 1.00 10.00 O ATOM 563 CB LYS A 37 -3.803 -6.825 12.439 1.00 10.00 C ATOM 564 CG LYS A 37 -5.149 -6.724 13.166 1.00 10.00 C ATOM 565 CD LYS A 37 -6.277 -6.495 12.143 1.00 10.00 C ATOM 566 CE LYS A 37 -7.510 -7.387 12.384 1.00 10.00 C ATOM 567 NZ LYS A 37 -8.733 -6.594 12.634 1.00 10.00 N ATOM 0 H LYS A 37 -2.351 -4.880 13.198 1.00 10.00 H new ATOM 0 HA LYS A 37 -2.991 -7.527 14.283 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -3.661 -5.950 11.805 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -3.804 -7.696 11.784 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -5.337 -7.637 13.731 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -5.125 -5.904 13.884 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -6.582 -5.449 12.177 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -5.892 -6.682 11.141 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -7.666 -8.029 11.517 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -7.322 -8.041 13.236 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -9.537 -7.235 12.791 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -8.595 -6.000 13.476 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -8.929 -5.989 11.811 1.00 10.00 H new ATOM 581 N GLY A 38 -0.814 -7.035 11.825 1.00 10.00 N ATOM 582 CA GLY A 38 0.441 -7.518 11.253 1.00 10.00 C ATOM 583 C GLY A 38 0.547 -7.163 9.771 1.00 10.00 C ATOM 584 O GLY A 38 0.568 -5.987 9.417 1.00 10.00 O ATOM 0 H GLY A 38 -1.168 -6.187 11.383 1.00 10.00 H new ATOM 0 HA2 GLY A 38 1.281 -7.083 11.794 1.00 10.00 H new ATOM 0 HA3 GLY A 38 0.507 -8.599 11.376 1.00 10.00 H new ATOM 588 N VAL A 39 0.552 -8.183 8.911 1.00 10.00 N ATOM 589 CA VAL A 39 0.581 -8.066 7.458 1.00 10.00 C ATOM 590 C VAL A 39 -0.554 -8.866 6.833 1.00 10.00 C ATOM 591 O VAL A 39 -1.344 -9.475 7.551 1.00 10.00 O ATOM 592 CB VAL A 39 1.950 -8.490 6.902 1.00 10.00 C ATOM 593 CG1 VAL A 39 2.842 -7.257 6.933 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.592 -9.664 7.653 1.00 10.00 C ATOM 0 H VAL A 39 0.535 -9.153 9.225 1.00 10.00 H new ATOM 0 HA VAL A 39 0.432 -7.020 7.192 1.00 10.00 H new ATOM 0 HB VAL A 39 1.817 -8.864 5.887 1.00 10.00 H new ATOM 0 HG11 VAL A 39 3.828 -7.512 6.546 1.00 10.00 H new ATOM 0 HG12 VAL A 39 2.401 -6.474 6.317 1.00 10.00 H new ATOM 0 HG13 VAL A 39 2.936 -6.902 7.959 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.554 -9.903 7.200 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.740 -9.390 8.698 1.00 10.00 H new ATOM 0 HG23 VAL A 39 1.938 -10.534 7.595 1.00 10.00 H new ATOM 604 N ASP A 40 -0.693 -8.771 5.506 1.00 10.00 N ATOM 605 CA ASP A 40 -1.778 -9.358 4.726 1.00 10.00 C ATOM 606 C ASP A 40 -3.107 -8.598 4.915 1.00 10.00 C ATOM 607 O ASP A 40 -3.788 -8.257 3.947 1.00 10.00 O ATOM 608 CB ASP A 40 -1.881 -10.860 5.020 1.00 10.00 C ATOM 609 CG ASP A 40 -2.609 -11.583 3.906 1.00 10.00 C ATOM 610 OD1 ASP A 40 -3.840 -11.388 3.826 1.00 10.00 O ATOM 611 OD2 ASP A 40 -1.913 -12.305 3.164 1.00 10.00 O ATOM 0 H ASP A 40 -0.024 -8.262 4.927 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.547 -9.253 3.666 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -0.882 -11.280 5.139 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.406 -11.014 5.963 1.00 10.00 H new ATOM 616 N ASN A 41 -3.423 -8.210 6.160 1.00 10.00 N ATOM 617 CA ASN A 41 -4.686 -7.547 6.515 1.00 10.00 C ATOM 618 C ASN A 41 -4.958 -6.284 5.689 1.00 10.00 C ATOM 619 O ASN A 41 -6.091 -5.812 5.635 1.00 10.00 O ATOM 620 CB ASN A 41 -4.762 -7.145 8.004 1.00 10.00 C ATOM 621 CG ASN A 41 -3.799 -7.843 8.952 1.00 10.00 C ATOM 622 OD1 ASN A 41 -4.102 -8.895 9.495 1.00 10.00 O ATOM 623 ND2 ASN A 41 -2.656 -7.227 9.222 1.00 10.00 N ATOM 0 H ASN A 41 -2.802 -8.350 6.957 1.00 10.00 H new ATOM 0 HA ASN A 41 -5.441 -8.302 6.295 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -4.590 -6.071 8.075 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -5.778 -7.329 8.354 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -2.006 -7.631 9.897 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -2.427 -6.350 8.755 1.00 10.00 H new ATOM 630 N LEU A 42 -3.906 -5.720 5.097 1.00 10.00 N ATOM 631 CA LEU A 42 -3.941 -4.540 4.258 1.00 10.00 C ATOM 632 C LEU A 42 -3.824 -4.902 2.768 1.00 10.00 C ATOM 633 O LEU A 42 -4.581 -4.353 1.974 1.00 10.00 O ATOM 634 CB LEU A 42 -2.859 -3.576 4.743 1.00 10.00 C ATOM 635 CG LEU A 42 -3.116 -2.984 6.149 1.00 10.00 C ATOM 636 CD1 LEU A 42 -4.573 -2.564 6.383 1.00 10.00 C ATOM 637 CD2 LEU A 42 -2.628 -3.883 7.296 1.00 10.00 C ATOM 0 H LEU A 42 -2.964 -6.098 5.199 1.00 10.00 H new ATOM 0 HA LEU A 42 -4.906 -4.040 4.344 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -1.902 -4.097 4.751 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -2.771 -2.758 4.028 1.00 10.00 H new ATOM 0 HG LEU A 42 -2.508 -2.079 6.162 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -4.678 -2.158 7.389 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -4.854 -1.804 5.654 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -5.224 -3.431 6.272 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -2.842 -3.403 8.251 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -3.142 -4.843 7.249 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -1.554 -4.041 7.202 1.00 10.00 H new ATOM 649 N VAL A 43 -2.967 -5.861 2.385 1.00 10.00 N ATOM 650 CA VAL A 43 -2.947 -6.479 1.052 1.00 10.00 C ATOM 651 C VAL A 43 -4.358 -6.917 0.601 1.00 10.00 C ATOM 652 O VAL A 43 -4.727 -6.763 -0.560 1.00 10.00 O ATOM 653 CB VAL A 43 -1.875 -7.588 0.907 1.00 10.00 C ATOM 654 CG1 VAL A 43 -2.456 -9.008 0.927 1.00 10.00 C ATOM 655 CG2 VAL A 43 -1.117 -7.444 -0.426 1.00 10.00 C ATOM 0 H VAL A 43 -2.252 -6.236 3.009 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.632 -5.704 0.353 1.00 10.00 H new ATOM 0 HB VAL A 43 -1.219 -7.456 1.768 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.649 -9.733 0.821 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.973 -9.176 1.872 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -3.159 -9.125 0.103 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.369 -8.233 -0.506 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.820 -7.524 -1.255 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.624 -6.472 -0.461 1.00 10.00 H new ATOM 665 N LYS A 44 -5.203 -7.385 1.526 1.00 10.00 N ATOM 666 CA LYS A 44 -6.619 -7.593 1.215 1.00 10.00 C ATOM 667 C LYS A 44 -7.403 -6.287 0.938 1.00 10.00 C ATOM 668 O LYS A 44 -8.198 -6.238 0.001 1.00 10.00 O ATOM 669 CB LYS A 44 -7.313 -8.478 2.256 1.00 10.00 C ATOM 670 CG LYS A 44 -6.967 -8.075 3.687 1.00 10.00 C ATOM 671 CD LYS A 44 -8.163 -8.181 4.631 1.00 10.00 C ATOM 672 CE LYS A 44 -9.047 -6.936 4.490 1.00 10.00 C ATOM 673 NZ LYS A 44 -10.360 -7.115 5.143 1.00 10.00 N ATOM 0 H LYS A 44 -4.936 -7.623 2.481 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.629 -8.135 0.269 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -8.392 -8.420 2.116 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -7.026 -9.517 2.095 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -6.161 -8.710 4.055 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -6.594 -7.051 3.692 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -8.741 -9.076 4.402 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -7.818 -8.279 5.660 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -8.538 -6.078 4.928 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -9.195 -6.713 3.433 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -10.927 -6.251 5.025 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -10.857 -7.918 4.708 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -10.221 -7.302 6.157 1.00 10.00 H new ATOM 687 N SER A 45 -7.213 -5.223 1.728 1.00 10.00 N ATOM 688 CA SER A 45 -7.968 -3.974 1.566 1.00 10.00 C ATOM 689 C SER A 45 -7.521 -3.204 0.316 1.00 10.00 C ATOM 690 O SER A 45 -8.309 -2.543 -0.356 1.00 10.00 O ATOM 691 CB SER A 45 -7.822 -3.104 2.820 1.00 10.00 C ATOM 692 OG SER A 45 -8.362 -3.783 3.941 1.00 10.00 O ATOM 0 H SER A 45 -6.537 -5.203 2.492 1.00 10.00 H new ATOM 0 HA SER A 45 -9.019 -4.229 1.433 1.00 10.00 H new ATOM 0 HB2 SER A 45 -6.771 -2.874 2.994 1.00 10.00 H new ATOM 0 HB3 SER A 45 -8.336 -2.154 2.676 1.00 10.00 H new ATOM 0 HG SER A 45 -8.265 -3.224 4.740 1.00 10.00 H new ATOM 698 N VAL A 46 -6.231 -3.289 -0.004 1.00 10.00 N ATOM 699 CA VAL A 46 -5.682 -2.720 -1.218 1.00 10.00 C ATOM 700 C VAL A 46 -6.193 -3.465 -2.451 1.00 10.00 C ATOM 701 O VAL A 46 -6.658 -2.824 -3.393 1.00 10.00 O ATOM 702 CB VAL A 46 -4.153 -2.656 -1.109 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.541 -4.034 -1.207 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.503 -1.862 -2.219 1.00 10.00 C ATOM 0 H VAL A 46 -5.539 -3.759 0.580 1.00 10.00 H new ATOM 0 HA VAL A 46 -6.029 -1.694 -1.343 1.00 10.00 H new ATOM 0 HB VAL A 46 -3.974 -2.181 -0.144 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.457 -3.957 -1.127 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -3.921 -4.659 -0.399 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.803 -4.481 -2.166 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.422 -1.858 -2.079 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.743 -2.317 -3.180 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -3.875 -0.838 -2.199 1.00 10.00 H new ATOM 714 N LYS A 47 -6.160 -4.807 -2.438 1.00 10.00 N ATOM 715 CA LYS A 47 -6.627 -5.589 -3.575 1.00 10.00 C ATOM 716 C LYS A 47 -8.076 -5.229 -3.926 1.00 10.00 C ATOM 717 O LYS A 47 -8.414 -5.057 -5.096 1.00 10.00 O ATOM 718 CB LYS A 47 -6.298 -7.082 -3.415 1.00 10.00 C ATOM 719 CG LYS A 47 -7.382 -7.995 -2.844 1.00 10.00 C ATOM 720 CD LYS A 47 -8.516 -8.147 -3.864 1.00 10.00 C ATOM 721 CE LYS A 47 -8.984 -9.598 -4.017 1.00 10.00 C ATOM 722 NZ LYS A 47 -7.983 -10.414 -4.738 1.00 10.00 N ATOM 0 H LYS A 47 -5.816 -5.363 -1.655 1.00 10.00 H new ATOM 0 HA LYS A 47 -6.067 -5.316 -4.470 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -6.016 -7.469 -4.394 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -5.420 -7.164 -2.775 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -6.961 -8.972 -2.605 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -7.769 -7.579 -1.914 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -9.359 -7.528 -3.558 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -8.181 -7.774 -4.832 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -9.166 -10.029 -3.033 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -9.931 -9.622 -4.556 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -8.351 -11.378 -4.870 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -7.790 -9.987 -5.666 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -7.103 -10.452 -4.185 1.00 10.00 H new ATOM 736 N THR A 48 -8.924 -5.065 -2.906 1.00 10.00 N ATOM 737 CA THR A 48 -10.330 -4.688 -3.095 1.00 10.00 C ATOM 738 C THR A 48 -10.510 -3.221 -3.512 1.00 10.00 C ATOM 739 O THR A 48 -11.414 -2.930 -4.290 1.00 10.00 O ATOM 740 CB THR A 48 -11.149 -4.966 -1.826 1.00 10.00 C ATOM 741 OG1 THR A 48 -10.520 -4.377 -0.714 1.00 10.00 O ATOM 742 CG2 THR A 48 -11.294 -6.462 -1.546 1.00 10.00 C ATOM 0 H THR A 48 -8.657 -5.189 -1.929 1.00 10.00 H new ATOM 0 HA THR A 48 -10.698 -5.307 -3.913 1.00 10.00 H new ATOM 0 HB THR A 48 -12.140 -4.542 -1.991 1.00 10.00 H new ATOM 0 HG1 THR A 48 -9.769 -3.826 -1.017 1.00 10.00 H new ATOM 0 HG21 THR A 48 -11.881 -6.607 -0.639 1.00 10.00 H new ATOM 0 HG22 THR A 48 -11.798 -6.942 -2.385 1.00 10.00 H new ATOM 0 HG23 THR A 48 -10.307 -6.905 -1.414 1.00 10.00 H new ATOM 750 N GLY A 49 -9.674 -2.301 -3.016 1.00 10.00 N ATOM 751 CA GLY A 49 -9.831 -0.867 -3.263 1.00 10.00 C ATOM 752 C GLY A 49 -10.760 -0.192 -2.244 1.00 10.00 C ATOM 753 O GLY A 49 -11.979 -0.335 -2.296 1.00 10.00 O ATOM 0 H GLY A 49 -8.870 -2.532 -2.432 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -8.853 -0.387 -3.231 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.228 -0.716 -4.267 1.00 10.00 H new ATOM 757 N LEU A 50 -10.176 0.569 -1.314 1.00 10.00 N ATOM 758 CA LEU A 50 -10.904 1.434 -0.384 1.00 10.00 C ATOM 759 C LEU A 50 -11.636 2.573 -1.122 1.00 10.00 C ATOM 760 O LEU A 50 -11.432 2.801 -2.304 1.00 10.00 O ATOM 761 CB LEU A 50 -9.893 1.963 0.646 1.00 10.00 C ATOM 762 CG LEU A 50 -10.495 2.419 1.986 1.00 10.00 C ATOM 763 CD1 LEU A 50 -9.805 1.688 3.144 1.00 10.00 C ATOM 764 CD2 LEU A 50 -10.306 3.930 2.175 1.00 10.00 C ATOM 0 H LEU A 50 -9.165 0.601 -1.185 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.685 0.869 0.125 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -9.159 1.182 0.844 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -9.355 2.802 0.204 1.00 10.00 H new ATOM 0 HG LEU A 50 -11.560 2.185 1.978 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -10.236 2.016 4.090 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -9.949 0.613 3.033 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -8.739 1.915 3.134 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -10.738 4.234 3.128 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -9.242 4.168 2.166 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -10.803 4.463 1.365 1.00 10.00 H new ATOM 776 N ASN A 51 -12.493 3.317 -0.427 1.00 10.00 N ATOM 777 CA ASN A 51 -13.431 4.285 -1.024 1.00 10.00 C ATOM 778 C ASN A 51 -12.756 5.284 -1.967 1.00 10.00 C ATOM 779 O ASN A 51 -13.054 5.362 -3.154 1.00 10.00 O ATOM 780 CB ASN A 51 -14.190 5.055 0.070 1.00 10.00 C ATOM 781 CG ASN A 51 -14.598 4.110 1.179 1.00 10.00 C ATOM 782 OD1 ASN A 51 -15.622 3.443 1.126 1.00 10.00 O ATOM 783 ND2 ASN A 51 -13.694 3.948 2.134 1.00 10.00 N ATOM 0 H ASN A 51 -12.562 3.268 0.589 1.00 10.00 H new ATOM 0 HA ASN A 51 -14.126 3.694 -1.620 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -13.560 5.849 0.471 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -15.073 5.532 -0.355 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -13.839 3.247 2.860 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -12.853 4.525 2.143 1.00 10.00 H new ATOM 790 N ALA A 52 -11.819 6.045 -1.401 1.00 10.00 N ATOM 791 CA ALA A 52 -10.961 6.977 -2.121 1.00 10.00 C ATOM 792 C ALA A 52 -9.759 6.282 -2.788 1.00 10.00 C ATOM 793 O ALA A 52 -8.798 6.959 -3.152 1.00 10.00 O ATOM 794 CB ALA A 52 -10.514 8.062 -1.133 1.00 10.00 C ATOM 0 H ALA A 52 -11.633 6.027 -0.398 1.00 10.00 H new ATOM 0 HA ALA A 52 -11.523 7.423 -2.942 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.869 8.776 -1.644 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -11.389 8.580 -0.741 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.966 7.602 -0.311 1.00 10.00 H new ATOM 800 N MET A 53 -9.786 4.947 -2.931 1.00 10.00 N ATOM 801 CA MET A 53 -8.653 4.179 -3.456 1.00 10.00 C ATOM 802 C MET A 53 -9.012 3.282 -4.664 1.00 10.00 C ATOM 803 O MET A 53 -9.964 2.508 -4.598 1.00 10.00 O ATOM 804 CB MET A 53 -8.106 3.369 -2.283 1.00 10.00 C ATOM 805 CG MET A 53 -6.662 2.923 -2.469 1.00 10.00 C ATOM 806 SD MET A 53 -5.894 2.566 -0.870 1.00 10.00 S ATOM 807 CE MET A 53 -5.833 0.773 -0.938 1.00 10.00 C ATOM 0 H MET A 53 -10.593 4.374 -2.686 1.00 10.00 H new ATOM 0 HA MET A 53 -7.902 4.860 -3.857 1.00 10.00 H new ATOM 0 HB2 MET A 53 -8.178 3.967 -1.375 1.00 10.00 H new ATOM 0 HB3 MET A 53 -8.733 2.489 -2.136 1.00 10.00 H new ATOM 0 HG2 MET A 53 -6.628 2.035 -3.101 1.00 10.00 H new ATOM 0 HG3 MET A 53 -6.099 3.702 -2.983 1.00 10.00 H new ATOM 0 HE1 MET A 53 -4.921 0.421 -0.456 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.699 0.360 -0.421 1.00 10.00 H new ATOM 0 HE3 MET A 53 -5.842 0.448 -1.978 1.00 10.00 H new ATOM 817 N PRO A 54 -8.261 3.333 -5.781 1.00 10.00 N ATOM 818 CA PRO A 54 -8.549 2.485 -6.932 1.00 10.00 C ATOM 819 C PRO A 54 -8.395 0.993 -6.590 1.00 10.00 C ATOM 820 O PRO A 54 -7.669 0.644 -5.654 1.00 10.00 O ATOM 821 CB PRO A 54 -7.588 2.938 -8.038 1.00 10.00 C ATOM 822 CG PRO A 54 -6.451 3.631 -7.291 1.00 10.00 C ATOM 823 CD PRO A 54 -7.102 4.176 -6.023 1.00 10.00 C ATOM 0 HA PRO A 54 -9.584 2.589 -7.257 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -7.224 2.091 -8.620 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -8.077 3.617 -8.736 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -5.647 2.933 -7.056 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -6.014 4.431 -7.888 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.410 4.141 -5.182 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -7.396 5.218 -6.151 1.00 10.00 H new ATOM 831 N PRO A 55 -9.058 0.100 -7.346 1.00 10.00 N ATOM 832 CA PRO A 55 -8.945 -1.334 -7.137 1.00 10.00 C ATOM 833 C PRO A 55 -7.478 -1.743 -7.253 1.00 10.00 C ATOM 834 O PRO A 55 -6.720 -1.194 -8.057 1.00 10.00 O ATOM 835 CB PRO A 55 -9.832 -1.986 -8.201 1.00 10.00 C ATOM 836 CG PRO A 55 -9.821 -0.956 -9.328 1.00 10.00 C ATOM 837 CD PRO A 55 -9.804 0.371 -8.566 1.00 10.00 C ATOM 0 HA PRO A 55 -9.273 -1.651 -6.147 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -9.433 -2.947 -8.527 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -10.840 -2.169 -7.830 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -8.947 -1.066 -9.970 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -10.699 -1.045 -9.968 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -9.327 1.156 -9.153 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -10.816 0.710 -8.342 1.00 10.00 H new ATOM 845 N GLY A 56 -7.039 -2.643 -6.374 1.00 10.00 N ATOM 846 CA GLY A 56 -5.638 -3.013 -6.315 1.00 10.00 C ATOM 847 C GLY A 56 -4.700 -1.849 -6.000 1.00 10.00 C ATOM 848 O GLY A 56 -3.511 -1.903 -6.327 1.00 10.00 O ATOM 0 H GLY A 56 -7.634 -3.123 -5.699 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -5.509 -3.786 -5.557 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -5.348 -3.451 -7.270 1.00 10.00 H new ATOM 852 N GLY A 57 -5.202 -0.785 -5.364 1.00 10.00 N ATOM 853 CA GLY A 57 -4.419 0.419 -5.130 1.00 10.00 C ATOM 854 C GLY A 57 -3.737 0.899 -6.419 1.00 10.00 C ATOM 855 O GLY A 57 -2.589 1.333 -6.376 1.00 10.00 O ATOM 0 H GLY A 57 -6.155 -0.740 -5.002 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -5.066 1.207 -4.743 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.665 0.223 -4.368 1.00 10.00 H new ATOM 859 N MET A 58 -4.438 0.763 -7.557 1.00 10.00 N ATOM 860 CA MET A 58 -3.996 1.072 -8.918 1.00 10.00 C ATOM 861 C MET A 58 -3.360 -0.140 -9.632 1.00 10.00 C ATOM 862 O MET A 58 -3.410 -0.225 -10.859 1.00 10.00 O ATOM 863 CB MET A 58 -3.108 2.329 -8.963 1.00 10.00 C ATOM 864 CG MET A 58 -3.186 3.038 -10.320 1.00 10.00 C ATOM 865 SD MET A 58 -1.782 4.117 -10.704 1.00 10.00 S ATOM 866 CE MET A 58 -1.357 3.470 -12.333 1.00 10.00 C ATOM 0 H MET A 58 -5.395 0.409 -7.544 1.00 10.00 H new ATOM 0 HA MET A 58 -4.893 1.307 -9.490 1.00 10.00 H new ATOM 0 HB2 MET A 58 -3.414 3.018 -8.176 1.00 10.00 H new ATOM 0 HB3 MET A 58 -2.074 2.050 -8.758 1.00 10.00 H new ATOM 0 HG2 MET A 58 -3.270 2.284 -11.102 1.00 10.00 H new ATOM 0 HG3 MET A 58 -4.100 3.632 -10.351 1.00 10.00 H new ATOM 0 HE1 MET A 58 -0.504 4.019 -12.731 1.00 10.00 H new ATOM 0 HE2 MET A 58 -1.102 2.414 -12.250 1.00 10.00 H new ATOM 0 HE3 MET A 58 -2.208 3.586 -13.004 1.00 10.00 H new ATOM 876 N CYS A 59 -2.773 -1.093 -8.896 1.00 10.00 N ATOM 877 CA CYS A 59 -2.085 -2.245 -9.477 1.00 10.00 C ATOM 878 C CYS A 59 -2.978 -3.493 -9.575 1.00 10.00 C ATOM 879 O CYS A 59 -2.723 -4.508 -8.927 1.00 10.00 O ATOM 880 CB CYS A 59 -0.815 -2.559 -8.685 1.00 10.00 C ATOM 881 SG CYS A 59 0.240 -3.744 -9.556 1.00 10.00 S ATOM 0 H CYS A 59 -2.764 -1.083 -7.876 1.00 10.00 H new ATOM 0 HA CYS A 59 -1.820 -1.970 -10.498 1.00 10.00 H new ATOM 0 HB2 CYS A 59 -0.259 -1.638 -8.508 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -1.085 -2.961 -7.708 1.00 10.00 H new ATOM 886 N THR A 60 -3.975 -3.470 -10.463 1.00 10.00 N ATOM 887 CA THR A 60 -4.774 -4.654 -10.811 1.00 10.00 C ATOM 888 C THR A 60 -3.912 -5.855 -11.255 1.00 10.00 C ATOM 889 O THR A 60 -4.348 -7.000 -11.180 1.00 10.00 O ATOM 890 CB THR A 60 -5.791 -4.269 -11.898 1.00 10.00 C ATOM 891 OG1 THR A 60 -6.403 -3.044 -11.544 1.00 10.00 O ATOM 892 CG2 THR A 60 -6.897 -5.315 -12.062 1.00 10.00 C ATOM 0 H THR A 60 -4.254 -2.627 -10.965 1.00 10.00 H new ATOM 0 HA THR A 60 -5.296 -4.983 -9.913 1.00 10.00 H new ATOM 0 HB THR A 60 -5.245 -4.194 -12.838 1.00 10.00 H new ATOM 0 HG1 THR A 60 -7.052 -2.791 -12.234 1.00 10.00 H new ATOM 0 HG21 THR A 60 -7.588 -4.995 -12.842 1.00 10.00 H new ATOM 0 HG22 THR A 60 -6.455 -6.272 -12.340 1.00 10.00 H new ATOM 0 HG23 THR A 60 -7.437 -5.424 -11.121 1.00 10.00 H new ATOM 900 N ASP A 61 -2.683 -5.582 -11.704 1.00 10.00 N ATOM 901 CA ASP A 61 -1.699 -6.535 -12.201 1.00 10.00 C ATOM 902 C ASP A 61 -0.967 -7.293 -11.061 1.00 10.00 C ATOM 903 O ASP A 61 -0.461 -8.394 -11.266 1.00 10.00 O ATOM 904 CB ASP A 61 -0.738 -5.691 -13.060 1.00 10.00 C ATOM 905 CG ASP A 61 0.016 -6.480 -14.115 1.00 10.00 C ATOM 906 OD1 ASP A 61 -0.546 -6.595 -15.225 1.00 10.00 O ATOM 907 OD2 ASP A 61 1.170 -6.858 -13.829 1.00 10.00 O ATOM 0 H ASP A 61 -2.331 -4.625 -11.729 1.00 10.00 H new ATOM 0 HA ASP A 61 -2.168 -7.331 -12.779 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -1.307 -4.902 -13.551 1.00 10.00 H new ATOM 0 HB3 ASP A 61 -0.017 -5.203 -12.404 1.00 10.00 H new ATOM 912 N CYS A 62 -0.899 -6.716 -9.852 1.00 10.00 N ATOM 913 CA CYS A 62 -0.121 -7.263 -8.732 1.00 10.00 C ATOM 914 C CYS A 62 -0.731 -8.547 -8.150 1.00 10.00 C ATOM 915 O CYS A 62 -1.954 -8.656 -8.077 1.00 10.00 O ATOM 916 CB CYS A 62 0.027 -6.203 -7.637 1.00 10.00 C ATOM 917 SG CYS A 62 1.154 -4.848 -8.011 1.00 10.00 S ATOM 0 H CYS A 62 -1.387 -5.850 -9.623 1.00 10.00 H new ATOM 0 HA CYS A 62 0.860 -7.533 -9.124 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -0.957 -5.785 -7.426 1.00 10.00 H new ATOM 0 HB3 CYS A 62 0.367 -6.694 -6.725 1.00 10.00 H new ATOM 922 N THR A 63 0.102 -9.504 -7.696 1.00 10.00 N ATOM 923 CA THR A 63 -0.404 -10.806 -7.239 1.00 10.00 C ATOM 924 C THR A 63 -0.472 -10.849 -5.708 1.00 10.00 C ATOM 925 O THR A 63 -1.477 -10.449 -5.130 1.00 10.00 O ATOM 926 CB THR A 63 0.421 -11.949 -7.859 1.00 10.00 C ATOM 927 OG1 THR A 63 0.365 -11.843 -9.263 1.00 10.00 O ATOM 928 CG2 THR A 63 -0.139 -13.326 -7.487 1.00 10.00 C ATOM 0 H THR A 63 1.115 -9.399 -7.637 1.00 10.00 H new ATOM 0 HA THR A 63 -1.427 -10.948 -7.588 1.00 10.00 H new ATOM 0 HB THR A 63 1.439 -11.861 -7.479 1.00 10.00 H new ATOM 0 HG1 THR A 63 0.889 -12.566 -9.667 1.00 10.00 H new ATOM 0 HG21 THR A 63 0.473 -14.103 -7.945 1.00 10.00 H new ATOM 0 HG22 THR A 63 -0.124 -13.444 -6.404 1.00 10.00 H new ATOM 0 HG23 THR A 63 -1.164 -13.411 -7.847 1.00 10.00 H new ATOM 936 N ASP A 64 0.601 -11.305 -5.055 1.00 10.00 N ATOM 937 CA ASP A 64 0.712 -11.396 -3.615 1.00 10.00 C ATOM 938 C ASP A 64 2.187 -11.285 -3.205 1.00 10.00 C ATOM 939 O ASP A 64 2.536 -10.452 -2.375 1.00 10.00 O ATOM 940 CB ASP A 64 0.071 -12.715 -3.184 1.00 10.00 C ATOM 941 CG ASP A 64 -1.360 -12.522 -2.694 1.00 10.00 C ATOM 942 OD1 ASP A 64 -1.530 -11.717 -1.754 1.00 10.00 O ATOM 943 OD2 ASP A 64 -2.247 -13.193 -3.263 1.00 10.00 O ATOM 0 H ASP A 64 1.438 -11.629 -5.540 1.00 10.00 H new ATOM 0 HA ASP A 64 0.191 -10.580 -3.115 1.00 10.00 H new ATOM 0 HB2 ASP A 64 0.076 -13.411 -4.022 1.00 10.00 H new ATOM 0 HB3 ASP A 64 0.668 -13.166 -2.391 1.00 10.00 H new ATOM 948 N GLU A 65 3.080 -12.066 -3.826 1.00 10.00 N ATOM 949 CA GLU A 65 4.516 -11.971 -3.576 1.00 10.00 C ATOM 950 C GLU A 65 5.058 -10.538 -3.739 1.00 10.00 C ATOM 951 O GLU A 65 5.576 -9.974 -2.771 1.00 10.00 O ATOM 952 CB GLU A 65 5.279 -13.000 -4.422 1.00 10.00 C ATOM 953 CG GLU A 65 4.931 -14.437 -3.989 1.00 10.00 C ATOM 954 CD GLU A 65 6.009 -15.446 -4.368 1.00 10.00 C ATOM 955 OE1 GLU A 65 7.114 -15.325 -3.796 1.00 10.00 O ATOM 956 OE2 GLU A 65 5.699 -16.327 -5.199 1.00 10.00 O ATOM 0 H GLU A 65 2.825 -12.777 -4.512 1.00 10.00 H new ATOM 0 HA GLU A 65 4.686 -12.218 -2.528 1.00 10.00 H new ATOM 0 HB2 GLU A 65 5.033 -12.864 -5.475 1.00 10.00 H new ATOM 0 HB3 GLU A 65 6.352 -12.836 -4.321 1.00 10.00 H new ATOM 0 HG2 GLU A 65 4.782 -14.460 -2.910 1.00 10.00 H new ATOM 0 HG3 GLU A 65 3.987 -14.731 -4.448 1.00 10.00 H new ATOM 963 N ASP A 66 4.897 -9.901 -4.909 1.00 10.00 N ATOM 964 CA ASP A 66 5.428 -8.549 -5.077 1.00 10.00 C ATOM 965 C ASP A 66 4.556 -7.537 -4.316 1.00 10.00 C ATOM 966 O ASP A 66 5.034 -6.515 -3.828 1.00 10.00 O ATOM 967 CB ASP A 66 5.553 -8.239 -6.573 1.00 10.00 C ATOM 968 CG ASP A 66 6.598 -9.122 -7.225 1.00 10.00 C ATOM 969 OD1 ASP A 66 7.775 -8.708 -7.204 1.00 10.00 O ATOM 970 OD2 ASP A 66 6.184 -10.192 -7.717 1.00 10.00 O ATOM 0 H ASP A 66 4.420 -10.287 -5.724 1.00 10.00 H new ATOM 0 HA ASP A 66 6.426 -8.474 -4.646 1.00 10.00 H new ATOM 0 HB2 ASP A 66 4.590 -8.389 -7.061 1.00 10.00 H new ATOM 0 HB3 ASP A 66 5.820 -7.191 -6.710 1.00 10.00 H new ATOM 975 N TYR A 67 3.267 -7.849 -4.164 1.00 10.00 N ATOM 976 CA TYR A 67 2.283 -6.995 -3.525 1.00 10.00 C ATOM 977 C TYR A 67 2.597 -6.805 -2.034 1.00 10.00 C ATOM 978 O TYR A 67 2.727 -5.689 -1.533 1.00 10.00 O ATOM 979 CB TYR A 67 0.912 -7.655 -3.728 1.00 10.00 C ATOM 980 CG TYR A 67 -0.253 -6.711 -3.890 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.234 -5.423 -3.325 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.332 -7.104 -4.702 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.229 -4.502 -3.670 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.361 -6.202 -4.990 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.285 -4.899 -4.497 1.00 10.00 C ATOM 986 OH TYR A 67 -3.262 -4.025 -4.805 1.00 10.00 O ATOM 0 H TYR A 67 2.875 -8.731 -4.495 1.00 10.00 H new ATOM 0 HA TYR A 67 2.295 -5.999 -3.968 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.964 -8.293 -4.610 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.713 -8.305 -2.876 1.00 10.00 H new ATOM 0 HD1 TYR A 67 0.544 -5.147 -2.629 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.366 -8.106 -5.104 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.182 -3.489 -3.299 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -3.206 -6.511 -5.588 1.00 10.00 H new ATOM 0 HH TYR A 67 -2.909 -3.340 -5.411 1.00 10.00 H new ATOM 996 N LYS A 68 2.751 -7.919 -1.322 1.00 10.00 N ATOM 997 CA LYS A 68 3.062 -7.930 0.093 1.00 10.00 C ATOM 998 C LYS A 68 4.421 -7.270 0.264 1.00 10.00 C ATOM 999 O LYS A 68 4.541 -6.310 1.012 1.00 10.00 O ATOM 1000 CB LYS A 68 2.966 -9.349 0.690 1.00 10.00 C ATOM 1001 CG LYS A 68 4.254 -10.173 0.573 1.00 10.00 C ATOM 1002 CD LYS A 68 4.051 -11.611 1.056 1.00 10.00 C ATOM 1003 CE LYS A 68 5.419 -12.225 1.382 1.00 10.00 C ATOM 1004 NZ LYS A 68 5.750 -12.059 2.818 1.00 10.00 N ATOM 0 H LYS A 68 2.660 -8.852 -1.725 1.00 10.00 H new ATOM 0 HA LYS A 68 2.327 -7.360 0.661 1.00 10.00 H new ATOM 0 HB2 LYS A 68 2.694 -9.270 1.743 1.00 10.00 H new ATOM 0 HB3 LYS A 68 2.159 -9.886 0.192 1.00 10.00 H new ATOM 0 HG2 LYS A 68 4.588 -10.181 -0.465 1.00 10.00 H new ATOM 0 HG3 LYS A 68 5.043 -9.700 1.158 1.00 10.00 H new ATOM 0 HD2 LYS A 68 3.412 -11.625 1.939 1.00 10.00 H new ATOM 0 HD3 LYS A 68 3.548 -12.199 0.288 1.00 10.00 H new ATOM 0 HE2 LYS A 68 5.416 -13.285 1.126 1.00 10.00 H new ATOM 0 HE3 LYS A 68 6.188 -11.752 0.771 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 6.468 -12.759 3.092 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 6.121 -11.101 2.980 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 4.893 -12.200 3.390 1.00 10.00 H new ATOM 1018 N ALA A 69 5.417 -7.700 -0.522 1.00 10.00 N ATOM 1019 CA ALA A 69 6.739 -7.100 -0.527 1.00 10.00 C ATOM 1020 C ALA A 69 6.687 -5.580 -0.743 1.00 10.00 C ATOM 1021 O ALA A 69 7.478 -4.853 -0.151 1.00 10.00 O ATOM 1022 CB ALA A 69 7.593 -7.802 -1.577 1.00 10.00 C ATOM 0 H ALA A 69 5.318 -8.479 -1.173 1.00 10.00 H new ATOM 0 HA ALA A 69 7.195 -7.237 0.453 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.589 -7.360 -1.591 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.670 -8.862 -1.334 1.00 10.00 H new ATOM 0 HB3 ALA A 69 7.132 -7.687 -2.558 1.00 10.00 H new ATOM 1028 N ALA A 70 5.744 -5.081 -1.550 1.00 10.00 N ATOM 1029 CA ALA A 70 5.578 -3.647 -1.784 1.00 10.00 C ATOM 1030 C ALA A 70 5.194 -2.928 -0.487 1.00 10.00 C ATOM 1031 O ALA A 70 5.839 -1.960 -0.103 1.00 10.00 O ATOM 1032 CB ALA A 70 4.578 -3.395 -2.918 1.00 10.00 C ATOM 0 H ALA A 70 5.076 -5.661 -2.058 1.00 10.00 H new ATOM 0 HA ALA A 70 6.531 -3.228 -2.106 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.469 -2.322 -3.076 1.00 10.00 H new ATOM 0 HB2 ALA A 70 4.941 -3.861 -3.834 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.611 -3.822 -2.652 1.00 10.00 H new ATOM 1038 N ILE A 71 4.186 -3.430 0.228 1.00 10.00 N ATOM 1039 CA ILE A 71 3.773 -2.873 1.525 1.00 10.00 C ATOM 1040 C ILE A 71 4.848 -3.093 2.611 1.00 10.00 C ATOM 1041 O ILE A 71 5.143 -2.202 3.412 1.00 10.00 O ATOM 1042 CB ILE A 71 2.399 -3.464 1.892 1.00 10.00 C ATOM 1043 CG1 ILE A 71 1.307 -2.915 0.967 1.00 10.00 C ATOM 1044 CG2 ILE A 71 2.010 -3.230 3.354 1.00 10.00 C ATOM 1045 CD1 ILE A 71 0.318 -4.023 0.598 1.00 10.00 C ATOM 0 H ILE A 71 3.632 -4.232 -0.071 1.00 10.00 H new ATOM 0 HA ILE A 71 3.671 -1.790 1.453 1.00 10.00 H new ATOM 0 HB ILE A 71 2.489 -4.542 1.756 1.00 10.00 H new ATOM 0 HG12 ILE A 71 0.781 -2.097 1.460 1.00 10.00 H new ATOM 0 HG13 ILE A 71 1.758 -2.505 0.063 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.032 -3.671 3.545 1.00 10.00 H new ATOM 0 HG22 ILE A 71 2.751 -3.693 4.006 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.970 -2.159 3.553 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -0.452 -3.619 -0.059 1.00 10.00 H new ATOM 0 HD12 ILE A 71 0.847 -4.827 0.086 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -0.146 -4.413 1.504 1.00 10.00 H new ATOM 1057 N GLU A 72 5.463 -4.280 2.620 1.00 10.00 N ATOM 1058 CA GLU A 72 6.604 -4.625 3.466 1.00 10.00 C ATOM 1059 C GLU A 72 7.789 -3.671 3.229 1.00 10.00 C ATOM 1060 O GLU A 72 8.445 -3.279 4.192 1.00 10.00 O ATOM 1061 CB GLU A 72 6.970 -6.127 3.393 1.00 10.00 C ATOM 1062 CG GLU A 72 5.864 -7.095 3.894 1.00 10.00 C ATOM 1063 CD GLU A 72 6.345 -8.517 4.221 1.00 10.00 C ATOM 1064 OE1 GLU A 72 7.065 -8.637 5.233 1.00 10.00 O ATOM 1065 OE2 GLU A 72 5.965 -9.474 3.499 1.00 10.00 O ATOM 0 H GLU A 72 5.169 -5.050 2.019 1.00 10.00 H new ATOM 0 HA GLU A 72 6.304 -4.472 4.503 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.211 -6.377 2.360 1.00 10.00 H new ATOM 0 HB3 GLU A 72 7.873 -6.295 3.980 1.00 10.00 H new ATOM 0 HG2 GLU A 72 5.406 -6.668 4.786 1.00 10.00 H new ATOM 0 HG3 GLU A 72 5.085 -7.157 3.134 1.00 10.00 H new ATOM 1072 N PHE A 73 8.027 -3.242 1.982 1.00 10.00 N ATOM 1073 CA PHE A 73 9.084 -2.281 1.657 1.00 10.00 C ATOM 1074 C PHE A 73 8.985 -0.986 2.483 1.00 10.00 C ATOM 1075 O PHE A 73 9.993 -0.493 2.984 1.00 10.00 O ATOM 1076 CB PHE A 73 9.074 -1.975 0.154 1.00 10.00 C ATOM 1077 CG PHE A 73 10.238 -1.121 -0.304 1.00 10.00 C ATOM 1078 CD1 PHE A 73 10.161 0.283 -0.225 1.00 10.00 C ATOM 1079 CD2 PHE A 73 11.419 -1.731 -0.769 1.00 10.00 C ATOM 1080 CE1 PHE A 73 11.261 1.071 -0.603 1.00 10.00 C ATOM 1081 CE2 PHE A 73 12.512 -0.940 -1.164 1.00 10.00 C ATOM 1082 CZ PHE A 73 12.433 0.460 -1.077 1.00 10.00 C ATOM 0 H PHE A 73 7.491 -3.553 1.172 1.00 10.00 H new ATOM 0 HA PHE A 73 10.035 -2.743 1.923 1.00 10.00 H new ATOM 0 HB2 PHE A 73 9.085 -2.914 -0.399 1.00 10.00 H new ATOM 0 HB3 PHE A 73 8.142 -1.468 -0.098 1.00 10.00 H new ATOM 0 HD1 PHE A 73 9.255 0.755 0.127 1.00 10.00 H new ATOM 0 HD2 PHE A 73 11.485 -2.808 -0.822 1.00 10.00 H new ATOM 0 HE1 PHE A 73 11.205 2.147 -0.529 1.00 10.00 H new ATOM 0 HE2 PHE A 73 13.412 -1.408 -1.534 1.00 10.00 H new ATOM 0 HZ PHE A 73 13.275 1.067 -1.375 1.00 10.00 H new ATOM 1092 N MET A 74 7.776 -0.429 2.623 1.00 10.00 N ATOM 1093 CA MET A 74 7.558 0.791 3.397 1.00 10.00 C ATOM 1094 C MET A 74 7.757 0.557 4.907 1.00 10.00 C ATOM 1095 O MET A 74 8.737 1.014 5.490 1.00 10.00 O ATOM 1096 CB MET A 74 6.149 1.335 3.132 1.00 10.00 C ATOM 1097 CG MET A 74 5.898 1.927 1.731 1.00 10.00 C ATOM 1098 SD MET A 74 5.074 0.863 0.507 1.00 10.00 S ATOM 1099 CE MET A 74 3.373 1.495 0.390 1.00 10.00 C ATOM 0 H MET A 74 6.928 -0.811 2.204 1.00 10.00 H new ATOM 0 HA MET A 74 8.299 1.523 3.076 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.434 0.528 3.296 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.935 2.106 3.873 1.00 10.00 H new ATOM 0 HG2 MET A 74 5.299 2.830 1.849 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.859 2.234 1.318 1.00 10.00 H new ATOM 0 HE1 MET A 74 2.962 1.254 -0.590 1.00 10.00 H new ATOM 0 HE2 MET A 74 2.760 1.034 1.164 1.00 10.00 H new ATOM 0 HE3 MET A 74 3.377 2.576 0.526 1.00 10.00 H new ATOM 1109 N SER A 75 6.797 -0.116 5.558 1.00 10.00 N ATOM 1110 CA SER A 75 6.869 -0.439 6.989 1.00 10.00 C ATOM 1111 C SER A 75 5.913 -1.582 7.379 1.00 10.00 C ATOM 1112 O SER A 75 5.310 -1.559 8.448 1.00 10.00 O ATOM 1113 CB SER A 75 6.649 0.826 7.842 1.00 10.00 C ATOM 1114 OG SER A 75 7.333 0.716 9.078 1.00 10.00 O ATOM 0 H SER A 75 5.947 -0.452 5.105 1.00 10.00 H new ATOM 0 HA SER A 75 7.873 -0.808 7.196 1.00 10.00 H new ATOM 0 HB2 SER A 75 7.003 1.703 7.300 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.584 0.970 8.021 1.00 10.00 H new ATOM 0 HG SER A 75 7.185 1.527 9.607 1.00 10.00 H new ATOM 1120 N LYS A 76 5.771 -2.585 6.502 1.00 10.00 N ATOM 1121 CA LYS A 76 5.007 -3.823 6.705 1.00 10.00 C ATOM 1122 C LYS A 76 3.647 -3.633 7.383 1.00 10.00 C ATOM 1123 O LYS A 76 3.329 -4.260 8.390 1.00 10.00 O ATOM 1124 CB LYS A 76 5.918 -4.915 7.303 1.00 10.00 C ATOM 1125 CG LYS A 76 6.071 -4.863 8.829 1.00 10.00 C ATOM 1126 CD LYS A 76 7.383 -5.495 9.308 1.00 10.00 C ATOM 1127 CE LYS A 76 8.579 -4.588 8.984 1.00 10.00 C ATOM 1128 NZ LYS A 76 9.713 -4.853 9.893 1.00 10.00 N ATOM 0 H LYS A 76 6.210 -2.552 5.582 1.00 10.00 H new ATOM 0 HA LYS A 76 4.693 -4.189 5.728 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.521 -5.891 7.025 1.00 10.00 H new ATOM 0 HB3 LYS A 76 6.906 -4.832 6.850 1.00 10.00 H new ATOM 0 HG2 LYS A 76 6.029 -3.825 9.160 1.00 10.00 H new ATOM 0 HG3 LYS A 76 5.231 -5.380 9.293 1.00 10.00 H new ATOM 0 HD2 LYS A 76 7.335 -5.671 10.383 1.00 10.00 H new ATOM 0 HD3 LYS A 76 7.519 -6.466 8.832 1.00 10.00 H new ATOM 0 HE2 LYS A 76 8.892 -4.749 7.952 1.00 10.00 H new ATOM 0 HE3 LYS A 76 8.279 -3.543 9.067 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 10.506 -4.226 9.650 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 9.420 -4.676 10.875 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 10.013 -5.844 9.794 1.00 10.00 H new ATOM 1142 N ALA A 77 2.823 -2.770 6.786 1.00 10.00 N ATOM 1143 CA ALA A 77 1.485 -2.505 7.287 1.00 10.00 C ATOM 1144 C ALA A 77 0.564 -1.917 6.210 1.00 10.00 C ATOM 1145 O ALA A 77 -0.154 -2.659 5.552 1.00 10.00 O ATOM 1146 CB ALA A 77 1.573 -1.685 8.586 1.00 10.00 C ATOM 0 H ALA A 77 3.067 -2.242 5.948 1.00 10.00 H new ATOM 0 HA ALA A 77 1.001 -3.446 7.547 1.00 10.00 H new ATOM 0 HB1 ALA A 77 0.569 -1.487 8.960 1.00 10.00 H new ATOM 0 HB2 ALA A 77 2.135 -2.246 9.333 1.00 10.00 H new ATOM 0 HB3 ALA A 77 2.078 -0.740 8.386 1.00 10.00 H new ATOM 1152 N LYS A 78 0.560 -0.596 6.046 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.473 0.147 5.334 1.00 10.00 C ATOM 1154 C LYS A 78 -0.110 0.592 3.903 1.00 10.00 C ATOM 1155 O LYS A 78 -0.854 1.417 3.333 1.00 10.00 O ATOM 1156 CB LYS A 78 -0.870 1.329 6.226 1.00 10.00 C ATOM 1157 CG LYS A 78 0.122 2.492 6.133 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.411 3.645 5.273 1.00 10.00 C ATOM 1159 CE LYS A 78 0.636 4.177 4.286 1.00 10.00 C ATOM 1160 NZ LYS A 78 0.935 3.191 3.220 1.00 10.00 N ATOM 1161 OXT LYS A 78 0.971 0.252 3.390 1.00 10.00 O ATOM 0 H LYS A 78 1.298 0.003 6.416 1.00 10.00 H new ATOM 0 HA LYS A 78 -1.312 -0.527 5.160 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -1.862 1.678 5.941 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -0.936 0.993 7.261 1.00 10.00 H new ATOM 0 HG2 LYS A 78 0.341 2.861 7.135 1.00 10.00 H new ATOM 0 HG3 LYS A 78 1.061 2.133 5.713 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -1.287 3.306 4.720 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -0.738 4.457 5.923 1.00 10.00 H new ATOM 0 HE2 LYS A 78 0.275 5.102 3.836 1.00 10.00 H new ATOM 0 HE3 LYS A 78 1.552 4.421 4.824 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 1.236 3.691 2.359 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 1.697 2.558 3.537 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 0.082 2.632 3.015 1.00 10.00 H new TER 1175 LYS A 78 HETATM 1176 FE HEC A 90 -3.796 3.607 -0.535 1.00 10.00 FE HETATM 1177 CHA HEC A 90 -5.479 4.188 2.502 1.00 10.00 C HETATM 1178 CHB HEC A 90 -2.255 0.823 0.828 1.00 10.00 C HETATM 1179 CHC HEC A 90 -2.418 3.001 -3.600 1.00 10.00 C HETATM 1180 CHD HEC A 90 -5.279 6.557 -1.771 1.00 10.00 C HETATM 1181 NA HEC A 90 -3.885 2.657 1.319 1.00 10.00 N HETATM 1182 C1A HEC A 90 -4.666 3.055 2.378 1.00 10.00 C HETATM 1183 C2A HEC A 90 -4.511 2.067 3.414 1.00 10.00 C HETATM 1184 C3A HEC A 90 -3.663 1.096 2.921 1.00 10.00 C HETATM 1185 C4A HEC A 90 -3.203 1.513 1.619 1.00 10.00 C HETATM 1186 CMA HEC A 90 -3.359 -0.234 3.549 1.00 10.00 C HETATM 1187 CAA HEC A 90 -5.224 2.071 4.751 1.00 10.00 C HETATM 1188 CBA HEC A 90 -4.790 3.187 5.719 1.00 10.00 C HETATM 1189 CGA HEC A 90 -5.606 3.169 7.004 1.00 10.00 C HETATM 1190 O1A HEC A 90 -5.705 4.239 7.648 1.00 10.00 O HETATM 1191 O2A HEC A 90 -6.065 2.070 7.378 1.00 10.00 O HETATM 1192 NB HEC A 90 -2.580 2.158 -1.262 1.00 10.00 N HETATM 1193 C1B HEC A 90 -2.013 1.161 -0.512 1.00 10.00 C HETATM 1194 C2B HEC A 90 -1.056 0.486 -1.355 1.00 10.00 C HETATM 1195 C3B HEC A 90 -1.158 1.036 -2.619 1.00 10.00 C HETATM 1196 C4B HEC A 90 -2.103 2.132 -2.540 1.00 10.00 C HETATM 1197 CMB HEC A 90 -0.087 -0.575 -0.876 1.00 10.00 C HETATM 1198 CAB HEC A 90 -0.332 0.654 -3.835 1.00 10.00 C HETATM 1199 CBB HEC A 90 -0.535 -0.796 -4.296 1.00 10.00 C HETATM 1200 NC HEC A 90 -3.869 4.589 -2.382 1.00 10.00 N HETATM 1201 C1C HEC A 90 -3.247 4.129 -3.496 1.00 10.00 C HETATM 1202 C2C HEC A 90 -3.542 5.057 -4.571 1.00 10.00 C HETATM 1203 C3C HEC A 90 -4.368 6.043 -4.053 1.00 10.00 C HETATM 1204 C4C HEC A 90 -4.536 5.755 -2.647 1.00 10.00 C HETATM 1205 CMC HEC A 90 -2.982 4.984 -5.977 1.00 10.00 C HETATM 1206 CAC HEC A 90 -4.990 7.252 -4.753 1.00 10.00 C HETATM 1207 CBC HEC A 90 -4.928 7.299 -6.283 1.00 10.00 C HETATM 1208 ND HEC A 90 -5.052 5.173 0.270 1.00 10.00 N HETATM 1209 C1D HEC A 90 -5.498 6.247 -0.433 1.00 10.00 C HETATM 1210 C2D HEC A 90 -6.313 7.036 0.455 1.00 10.00 C HETATM 1211 C3D HEC A 90 -6.445 6.333 1.629 1.00 10.00 C HETATM 1212 C4D HEC A 90 -5.606 5.163 1.518 1.00 10.00 C HETATM 1213 CMD HEC A 90 -6.959 8.358 0.130 1.00 10.00 C HETATM 1214 CAD HEC A 90 -7.419 6.657 2.741 1.00 10.00 C HETATM 1215 CBD HEC A 90 -6.839 7.500 3.877 1.00 10.00 C HETATM 1216 CGD HEC A 90 -7.951 7.967 4.802 1.00 10.00 C HETATM 1217 O1D HEC A 90 -8.163 7.283 5.824 1.00 10.00 O HETATM 1218 O2D HEC A 90 -8.592 8.978 4.443 1.00 10.00 O HETATM 0 HMD3 HEC A 90 -6.190 9.084 -0.133 1.00 10.00 H new HETATM 0 HMD2 HEC A 90 -7.642 8.232 -0.710 1.00 10.00 H new HETATM 0 HMD1 HEC A 90 -7.513 8.715 0.998 1.00 10.00 H new HETATM 0 HMC3 HEC A 90 -1.895 5.051 -5.939 1.00 10.00 H new HETATM 0 HMC2 HEC A 90 -3.272 4.039 -6.435 1.00 10.00 H new HETATM 0 HMC1 HEC A 90 -3.376 5.810 -6.569 1.00 10.00 H new HETATM 0 HMB3 HEC A 90 0.560 -0.155 -0.106 1.00 10.00 H new HETATM 0 HMB2 HEC A 90 -0.644 -1.416 -0.463 1.00 10.00 H new HETATM 0 HMB1 HEC A 90 0.520 -0.918 -1.714 1.00 10.00 H new HETATM 0 HMA3 HEC A 90 -2.924 -0.079 4.536 1.00 10.00 H new HETATM 0 HMA2 HEC A 90 -4.279 -0.810 3.644 1.00 10.00 H new HETATM 0 HMA1 HEC A 90 -2.653 -0.779 2.923 1.00 10.00 H new HETATM 0 HBD2 HEC A 90 -6.110 6.915 4.438 1.00 10.00 H new HETATM 0 HBD1 HEC A 90 -6.310 8.361 3.468 1.00 10.00 H new HETATM 0 HBC3 HEC A 90 -3.887 7.287 -6.606 1.00 10.00 H new HETATM 0 HBC2 HEC A 90 -5.446 6.433 -6.695 1.00 10.00 H new HETATM 0 HBC1 HEC A 90 -5.407 8.211 -6.639 1.00 10.00 H new HETATM 0 HBB3 HEC A 90 -0.256 -1.476 -3.491 1.00 10.00 H new HETATM 0 HBB2 HEC A 90 -1.582 -0.952 -4.556 1.00 10.00 H new HETATM 0 HBB1 HEC A 90 0.089 -0.991 -5.168 1.00 10.00 H new HETATM 0 HBA2 HEC A 90 -3.733 3.070 5.958 1.00 10.00 H new HETATM 0 HBA1 HEC A 90 -4.901 4.155 5.231 1.00 10.00 H new HETATM 0 HAD2 HEC A 90 -8.272 7.185 2.315 1.00 10.00 H new HETATM 0 HAD1 HEC A 90 -7.797 5.723 3.157 1.00 10.00 H new HETATM 0 HAA2 HEC A 90 -6.296 2.162 4.574 1.00 10.00 H new HETATM 0 HAA1 HEC A 90 -5.061 1.108 5.235 1.00 10.00 H new HETATM 0 HHD HEC A 90 -5.711 7.479 -2.161 1.00 10.00 H new HETATM 0 HHC HEC A 90 -1.986 2.782 -4.576 1.00 10.00 H new HETATM 0 HHB HEC A 90 -1.694 0.002 1.274 1.00 10.00 H new HETATM 0 HHA HEC A 90 -6.046 4.314 3.424 1.00 10.00 H new HETATM 0 H2D HEC A 90 -9.303 9.162 5.092 1.00 10.00 H new HETATM 0 H2A HEC A 90 -6.972 2.196 7.728 1.00 10.00 H new