USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 588 hydrogens (96 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 17 HIS HE2 : A 17 HIS NE2 : A 69 HECFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 70 HECFE :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 69 HECFE :(H bumps) USER MOD NoAdj-H: A 45 HIS HE2 : A 45 HIS NE2 : A 71 HECFE :(H bumps) USER MOD NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 70 HECFE :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 71 HECFE :(H bumps) USER MOD NoAdj-H: A 69 HEC HAC : A 69 HEC CAC : A 29 CYS SG :(H bumps) USER MOD NoAdj-H: A 69 HEC HAB : A 69 HEC CAB : A 26 CYS SG :(H bumps) USER MOD NoAdj-H: A 70 HEC HAC : A 70 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 70 HEC HAB : A 70 HEC CAB : A 49 CYS SG :(H bumps) USER MOD NoAdj-H: A 71 HEC HAC : A 71 HEC CAC : A 65 CYS SG :(H bumps) USER MOD NoAdj-H: A 71 HEC HAB : A 71 HEC CAB : A 62 CYS SG :(H bumps) USER MOD Set 1.1: A 36 LYS NZ :NH3+ -147:sc= 1.99 (180deg=0) USER MOD Set 1.2: A 69 HEC O2A : rot 170:sc= 0.885 USER MOD Set 1.3: A 69 HEC O2D : rot 168:sc= 0.785 USER MOD Set 2.1: A 8 ASN : amide:sc= -0.938! K(o=-0.012!,f=1.6) USER MOD Set 2.2: A 71 HEC O2D : rot -140:sc= 0.925 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 36:sc= 0.965 USER MOD Single : A 6 TYR OH : rot 50:sc= 0.965 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0.35 X(o=0.35,f=-0.13) USER MOD Single : A 14 THR OG1 : rot -170:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 152:sc= 0.948 (180deg=0.685) USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= 1.27 (180deg=1.08) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00602) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0777 USER MOD Single : A 46 LYS NZ :NH3+ -119:sc= 0.75 (180deg=0.22) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.036) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.693 K(o=-0.69,f=-11!) USER MOD Single : A 57 ASN : amide:sc= -0.0372 K(o=-0.037,f=-3.4!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0183) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HEC O2A : rot 178:sc= 0 USER MOD Single : A 70 HEC O2D : rot 151:sc= -0.139 USER MOD Single : A 71 HEC O2A : rot 179:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.144 4.176 -7.719 1.00 0.00 N ATOM 2 CA ALA A 1 9.640 3.922 -9.084 1.00 0.00 C ATOM 3 C ALA A 1 8.717 2.912 -9.761 1.00 0.00 C ATOM 4 O ALA A 1 7.573 3.263 -10.027 1.00 0.00 O ATOM 5 CB ALA A 1 11.117 3.506 -9.087 1.00 0.00 C ATOM 0 H1 ALA A 1 9.765 4.863 -7.246 1.00 0.00 H new ATOM 0 H2 ALA A 1 8.178 4.558 -7.766 1.00 0.00 H new ATOM 0 H3 ALA A 1 9.139 3.286 -7.180 1.00 0.00 H new ATOM 0 HA ALA A 1 9.614 4.843 -9.666 1.00 0.00 H new ATOM 0 HB1 ALA A 1 11.443 3.328 -10.112 1.00 0.00 H new ATOM 0 HB2 ALA A 1 11.720 4.301 -8.647 1.00 0.00 H new ATOM 0 HB3 ALA A 1 11.239 2.593 -8.504 1.00 0.00 H new ATOM 13 N ASP A 2 9.166 1.673 -9.975 1.00 0.00 N ATOM 14 CA ASP A 2 8.355 0.567 -10.433 1.00 0.00 C ATOM 15 C ASP A 2 7.673 -0.113 -9.242 1.00 0.00 C ATOM 16 O ASP A 2 6.448 -0.076 -9.145 1.00 0.00 O ATOM 17 CB ASP A 2 9.185 -0.390 -11.298 1.00 0.00 C ATOM 18 CG ASP A 2 10.432 -0.936 -10.612 1.00 0.00 C ATOM 19 OD1 ASP A 2 10.829 -0.316 -9.597 1.00 0.00 O ATOM 20 OD2 ASP A 2 10.952 -1.954 -11.109 1.00 0.00 O ATOM 0 H ASP A 2 10.141 1.414 -9.826 1.00 0.00 H new ATOM 0 HA ASP A 2 7.557 0.935 -11.078 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.555 -1.227 -11.600 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.484 0.129 -12.209 1.00 0.00 H new ATOM 25 N VAL A 3 8.463 -0.687 -8.330 1.00 0.00 N ATOM 26 CA VAL A 3 8.025 -1.451 -7.165 1.00 0.00 C ATOM 27 C VAL A 3 9.018 -1.204 -6.025 1.00 0.00 C ATOM 28 O VAL A 3 10.179 -0.896 -6.285 1.00 0.00 O ATOM 29 CB VAL A 3 7.905 -2.946 -7.543 1.00 0.00 C ATOM 30 CG1 VAL A 3 9.199 -3.514 -8.145 1.00 0.00 C ATOM 31 CG2 VAL A 3 7.507 -3.849 -6.366 1.00 0.00 C ATOM 0 H VAL A 3 9.479 -0.626 -8.391 1.00 0.00 H new ATOM 0 HA VAL A 3 7.039 -1.131 -6.828 1.00 0.00 H new ATOM 0 HB VAL A 3 7.109 -2.957 -8.288 1.00 0.00 H new ATOM 0 HG11 VAL A 3 9.055 -4.566 -8.391 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.452 -2.962 -9.050 1.00 0.00 H new ATOM 0 HG13 VAL A 3 10.009 -3.418 -7.422 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.442 -4.883 -6.706 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.257 -3.772 -5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.539 -3.534 -5.977 1.00 0.00 H new ATOM 41 N VAL A 4 8.574 -1.309 -4.768 1.00 0.00 N ATOM 42 CA VAL A 4 9.445 -1.227 -3.598 1.00 0.00 C ATOM 43 C VAL A 4 9.066 -2.348 -2.636 1.00 0.00 C ATOM 44 O VAL A 4 7.984 -2.935 -2.739 1.00 0.00 O ATOM 45 CB VAL A 4 9.350 0.170 -2.953 1.00 0.00 C ATOM 46 CG1 VAL A 4 10.075 0.277 -1.597 1.00 0.00 C ATOM 47 CG2 VAL A 4 9.975 1.229 -3.864 1.00 0.00 C ATOM 0 H VAL A 4 7.592 -1.454 -4.536 1.00 0.00 H new ATOM 0 HA VAL A 4 10.488 -1.359 -3.884 1.00 0.00 H new ATOM 0 HB VAL A 4 8.283 0.334 -2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.965 1.288 -1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.640 -0.434 -0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.133 0.053 -1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.898 2.208 -3.391 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.025 0.990 -4.033 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.448 1.245 -4.818 1.00 0.00 H new ATOM 57 N THR A 5 9.960 -2.633 -1.686 1.00 0.00 N ATOM 58 CA THR A 5 9.566 -3.272 -0.456 1.00 0.00 C ATOM 59 C THR A 5 10.124 -2.541 0.760 1.00 0.00 C ATOM 60 O THR A 5 11.224 -1.996 0.718 1.00 0.00 O ATOM 61 CB THR A 5 9.958 -4.754 -0.456 1.00 0.00 C ATOM 62 OG1 THR A 5 9.437 -5.299 0.728 1.00 0.00 O ATOM 63 CG2 THR A 5 11.468 -5.005 -0.503 1.00 0.00 C ATOM 0 H THR A 5 10.956 -2.427 -1.757 1.00 0.00 H new ATOM 0 HA THR A 5 8.479 -3.219 -0.388 1.00 0.00 H new ATOM 0 HB THR A 5 9.559 -5.215 -1.360 1.00 0.00 H new ATOM 0 HG1 THR A 5 8.574 -4.880 0.929 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.659 -6.078 -0.500 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.882 -4.565 -1.411 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.940 -4.550 0.368 1.00 0.00 H new ATOM 71 N TYR A 6 9.332 -2.564 1.834 1.00 0.00 N ATOM 72 CA TYR A 6 9.709 -2.097 3.157 1.00 0.00 C ATOM 73 C TYR A 6 10.771 -3.004 3.791 1.00 0.00 C ATOM 74 O TYR A 6 11.727 -2.512 4.385 1.00 0.00 O ATOM 75 CB TYR A 6 8.453 -2.041 4.041 1.00 0.00 C ATOM 76 CG TYR A 6 7.375 -1.062 3.595 1.00 0.00 C ATOM 77 CD1 TYR A 6 7.718 0.226 3.145 1.00 0.00 C ATOM 78 CD2 TYR A 6 6.025 -1.459 3.567 1.00 0.00 C ATOM 79 CE1 TYR A 6 6.759 1.016 2.494 1.00 0.00 C ATOM 80 CE2 TYR A 6 5.064 -0.658 2.933 1.00 0.00 C ATOM 81 CZ TYR A 6 5.445 0.551 2.342 1.00 0.00 C ATOM 82 OH TYR A 6 4.602 1.146 1.454 1.00 0.00 O ATOM 0 H TYR A 6 8.378 -2.922 1.798 1.00 0.00 H new ATOM 0 HA TYR A 6 10.145 -1.102 3.069 1.00 0.00 H new ATOM 0 HB2 TYR A 6 8.016 -3.039 4.084 1.00 0.00 H new ATOM 0 HB3 TYR A 6 8.756 -1.782 5.055 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.717 0.606 3.300 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.728 -2.385 4.036 1.00 0.00 H new ATOM 0 HE1 TYR A 6 7.034 1.987 2.108 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.032 -0.974 2.901 1.00 0.00 H new ATOM 0 HH TYR A 6 5.044 1.219 0.582 1.00 0.00 H new ATOM 92 N GLU A 7 10.569 -4.322 3.670 1.00 0.00 N ATOM 93 CA GLU A 7 11.198 -5.369 4.473 1.00 0.00 C ATOM 94 C GLU A 7 10.772 -5.285 5.947 1.00 0.00 C ATOM 95 O GLU A 7 10.749 -4.224 6.561 1.00 0.00 O ATOM 96 CB GLU A 7 12.713 -5.471 4.267 1.00 0.00 C ATOM 97 CG GLU A 7 13.343 -6.619 5.080 1.00 0.00 C ATOM 98 CD GLU A 7 14.332 -7.446 4.274 1.00 0.00 C ATOM 99 OE1 GLU A 7 15.436 -6.926 4.010 1.00 0.00 O ATOM 100 OE2 GLU A 7 13.956 -8.597 3.955 1.00 0.00 O ATOM 0 H GLU A 7 9.929 -4.703 2.973 1.00 0.00 H new ATOM 0 HA GLU A 7 10.818 -6.321 4.101 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.923 -5.622 3.208 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.180 -4.529 4.553 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.850 -6.204 5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 7 12.552 -7.270 5.452 1.00 0.00 H new ATOM 107 N ASN A 8 10.401 -6.439 6.505 1.00 0.00 N ATOM 108 CA ASN A 8 9.835 -6.628 7.832 1.00 0.00 C ATOM 109 C ASN A 8 9.735 -8.135 8.059 1.00 0.00 C ATOM 110 O ASN A 8 9.859 -8.912 7.104 1.00 0.00 O ATOM 111 CB ASN A 8 8.475 -5.931 7.975 1.00 0.00 C ATOM 112 CG ASN A 8 7.568 -6.174 6.780 1.00 0.00 C ATOM 113 OD1 ASN A 8 7.103 -7.292 6.564 1.00 0.00 O ATOM 114 ND2 ASN A 8 7.329 -5.134 5.988 1.00 0.00 N ATOM 0 H ASN A 8 10.497 -7.322 6.004 1.00 0.00 H new ATOM 0 HA ASN A 8 10.472 -6.172 8.590 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.982 -6.286 8.880 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.631 -4.859 8.097 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.739 -5.246 5.163 1.00 0.00 H new ATOM 0 HD22 ASN A 8 7.735 -4.224 6.205 1.00 0.00 H new ATOM 121 N LYS A 9 9.572 -8.550 9.321 1.00 0.00 N ATOM 122 CA LYS A 9 9.924 -9.888 9.785 1.00 0.00 C ATOM 123 C LYS A 9 8.891 -10.941 9.368 1.00 0.00 C ATOM 124 O LYS A 9 9.136 -12.137 9.493 1.00 0.00 O ATOM 125 CB LYS A 9 10.102 -9.849 11.315 1.00 0.00 C ATOM 126 CG LYS A 9 11.004 -10.970 11.861 1.00 0.00 C ATOM 127 CD LYS A 9 12.502 -10.667 11.684 1.00 0.00 C ATOM 128 CE LYS A 9 13.021 -9.719 12.780 1.00 0.00 C ATOM 129 NZ LYS A 9 14.458 -9.413 12.618 1.00 0.00 N ATOM 0 H LYS A 9 9.187 -7.955 10.054 1.00 0.00 H new ATOM 0 HA LYS A 9 10.860 -10.187 9.313 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.524 -8.885 11.598 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.123 -9.920 11.788 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.790 -11.119 12.919 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.764 -11.904 11.353 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.068 -11.598 11.710 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.670 -10.219 10.705 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.449 -8.792 12.757 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.855 -10.171 13.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.764 -8.772 13.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.008 -10.294 12.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.614 -8.957 11.696 1.00 0.00 H new ATOM 143 N LYS A 10 7.720 -10.505 8.904 1.00 0.00 N ATOM 144 CA LYS A 10 6.671 -11.391 8.422 1.00 0.00 C ATOM 145 C LYS A 10 7.149 -12.122 7.173 1.00 0.00 C ATOM 146 O LYS A 10 7.236 -13.347 7.148 1.00 0.00 O ATOM 147 CB LYS A 10 5.417 -10.565 8.112 1.00 0.00 C ATOM 148 CG LYS A 10 4.883 -9.796 9.321 1.00 0.00 C ATOM 149 CD LYS A 10 4.257 -10.707 10.389 1.00 0.00 C ATOM 150 CE LYS A 10 5.212 -10.995 11.561 1.00 0.00 C ATOM 151 NZ LYS A 10 4.536 -11.727 12.652 1.00 0.00 N ATOM 0 H LYS A 10 7.475 -9.516 8.853 1.00 0.00 H new ATOM 0 HA LYS A 10 6.431 -12.130 9.186 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.644 -9.859 7.313 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.637 -11.228 7.739 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.697 -9.227 9.770 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.137 -9.075 8.985 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.350 -10.240 10.772 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.960 -11.649 9.928 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.061 -11.578 11.203 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.610 -10.056 11.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.212 -11.902 13.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.741 -11.160 13.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.179 -12.635 12.292 1.00 0.00 H new ATOM 165 N GLY A 11 7.423 -11.336 6.140 1.00 0.00 N ATOM 166 CA GLY A 11 7.809 -11.793 4.820 1.00 0.00 C ATOM 167 C GLY A 11 7.821 -10.570 3.919 1.00 0.00 C ATOM 168 O GLY A 11 7.210 -10.573 2.849 1.00 0.00 O ATOM 0 H GLY A 11 7.379 -10.319 6.207 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.792 -12.264 4.846 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.107 -12.540 4.449 1.00 0.00 H new ATOM 172 N ASN A 12 8.473 -9.502 4.405 1.00 0.00 N ATOM 173 CA ASN A 12 8.535 -8.219 3.716 1.00 0.00 C ATOM 174 C ASN A 12 7.118 -7.674 3.487 1.00 0.00 C ATOM 175 O ASN A 12 6.133 -8.195 4.022 1.00 0.00 O ATOM 176 CB ASN A 12 9.318 -8.369 2.393 1.00 0.00 C ATOM 177 CG ASN A 12 10.792 -8.756 2.520 1.00 0.00 C ATOM 178 OD1 ASN A 12 11.479 -8.846 1.508 1.00 0.00 O ATOM 179 ND2 ASN A 12 11.300 -8.957 3.734 1.00 0.00 N ATOM 0 H ASN A 12 8.973 -9.512 5.294 1.00 0.00 H new ATOM 0 HA ASN A 12 9.067 -7.497 4.335 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.818 -9.121 1.783 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.257 -7.426 1.850 1.00 0.00 H new ATOM 0 HD21 ASN A 12 12.286 -9.193 3.841 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.703 -8.875 4.557 1.00 0.00 H new ATOM 186 N VAL A 13 7.024 -6.604 2.697 1.00 0.00 N ATOM 187 CA VAL A 13 5.809 -6.175 2.022 1.00 0.00 C ATOM 188 C VAL A 13 6.230 -5.777 0.615 1.00 0.00 C ATOM 189 O VAL A 13 6.847 -4.723 0.464 1.00 0.00 O ATOM 190 CB VAL A 13 5.228 -4.950 2.735 1.00 0.00 C ATOM 191 CG1 VAL A 13 4.222 -4.177 1.865 1.00 0.00 C ATOM 192 CG2 VAL A 13 4.542 -5.338 4.046 1.00 0.00 C ATOM 0 H VAL A 13 7.820 -5.995 2.506 1.00 0.00 H new ATOM 0 HA VAL A 13 5.056 -6.963 2.017 1.00 0.00 H new ATOM 0 HB VAL A 13 6.080 -4.301 2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.843 -3.320 2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 13 4.717 -3.831 0.957 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.392 -4.832 1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.141 -4.445 4.525 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.729 -6.034 3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.266 -5.812 4.709 1.00 0.00 H new ATOM 202 N THR A 14 5.911 -6.562 -0.409 1.00 0.00 N ATOM 203 CA THR A 14 6.071 -6.077 -1.771 1.00 0.00 C ATOM 204 C THR A 14 4.926 -5.101 -2.043 1.00 0.00 C ATOM 205 O THR A 14 3.766 -5.480 -1.884 1.00 0.00 O ATOM 206 CB THR A 14 6.063 -7.262 -2.745 1.00 0.00 C ATOM 207 OG1 THR A 14 6.983 -8.236 -2.293 1.00 0.00 O ATOM 208 CG2 THR A 14 6.464 -6.824 -4.157 1.00 0.00 C ATOM 0 H THR A 14 5.550 -7.512 -0.325 1.00 0.00 H new ATOM 0 HA THR A 14 7.022 -5.562 -1.907 1.00 0.00 H new ATOM 0 HB THR A 14 5.052 -7.669 -2.781 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.102 -8.920 -2.985 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.449 -7.686 -4.824 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.761 -6.073 -4.519 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.468 -6.400 -4.135 1.00 0.00 H new ATOM 216 N PHE A 15 5.228 -3.856 -2.426 1.00 0.00 N ATOM 217 CA PHE A 15 4.208 -2.912 -2.857 1.00 0.00 C ATOM 218 C PHE A 15 4.631 -2.323 -4.199 1.00 0.00 C ATOM 219 O PHE A 15 5.707 -1.736 -4.332 1.00 0.00 O ATOM 220 CB PHE A 15 3.917 -1.860 -1.778 1.00 0.00 C ATOM 221 CG PHE A 15 5.005 -0.850 -1.516 1.00 0.00 C ATOM 222 CD1 PHE A 15 6.059 -1.183 -0.652 1.00 0.00 C ATOM 223 CD2 PHE A 15 4.914 0.447 -2.061 1.00 0.00 C ATOM 224 CE1 PHE A 15 7.004 -0.210 -0.306 1.00 0.00 C ATOM 225 CE2 PHE A 15 5.851 1.426 -1.695 1.00 0.00 C ATOM 226 CZ PHE A 15 6.878 1.101 -0.793 1.00 0.00 C ATOM 0 H PHE A 15 6.177 -3.483 -2.444 1.00 0.00 H new ATOM 0 HA PHE A 15 3.256 -3.422 -3.001 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.012 -1.322 -2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.701 -2.379 -0.844 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.141 -2.184 -0.256 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.125 0.687 -2.759 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.832 -0.468 0.337 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.783 2.423 -2.104 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.573 1.863 -0.473 1.00 0.00 H new ATOM 236 N ASP A 16 3.797 -2.546 -5.217 1.00 0.00 N ATOM 237 CA ASP A 16 4.005 -1.955 -6.520 1.00 0.00 C ATOM 238 C ASP A 16 3.759 -0.448 -6.404 1.00 0.00 C ATOM 239 O ASP A 16 3.005 -0.001 -5.540 1.00 0.00 O ATOM 240 CB ASP A 16 3.118 -2.654 -7.552 1.00 0.00 C ATOM 241 CG ASP A 16 3.584 -2.370 -8.969 1.00 0.00 C ATOM 242 OD1 ASP A 16 3.706 -1.182 -9.323 1.00 0.00 O ATOM 243 OD2 ASP A 16 3.789 -3.335 -9.736 1.00 0.00 O ATOM 0 H ASP A 16 2.969 -3.137 -5.152 1.00 0.00 H new ATOM 0 HA ASP A 16 5.028 -2.092 -6.870 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.128 -3.729 -7.373 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.087 -2.320 -7.433 1.00 0.00 H new ATOM 248 N HIS A 17 4.451 0.328 -7.231 1.00 0.00 N ATOM 249 CA HIS A 17 4.455 1.778 -7.204 1.00 0.00 C ATOM 250 C HIS A 17 3.758 2.245 -8.481 1.00 0.00 C ATOM 251 O HIS A 17 2.710 2.889 -8.442 1.00 0.00 O ATOM 252 CB HIS A 17 5.919 2.257 -7.108 1.00 0.00 C ATOM 253 CG HIS A 17 6.147 3.434 -6.198 1.00 0.00 C ATOM 254 ND1 HIS A 17 7.090 3.505 -5.199 1.00 0.00 N ATOM 255 CD2 HIS A 17 5.402 4.582 -6.148 1.00 0.00 C ATOM 256 CE1 HIS A 17 6.921 4.683 -4.576 1.00 0.00 C ATOM 257 NE2 HIS A 17 5.890 5.366 -5.100 1.00 0.00 N ATOM 0 H HIS A 17 5.046 -0.055 -7.965 1.00 0.00 H new ATOM 0 HA HIS A 17 3.925 2.193 -6.347 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.535 1.426 -6.763 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.266 2.518 -8.108 1.00 0.00 H new ATOM 0 HD1 HIS A 17 7.787 2.796 -4.973 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.582 4.836 -6.803 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.534 5.035 -3.760 1.00 0.00 H new ATOM 265 N LYS A 18 4.340 1.879 -9.623 1.00 0.00 N ATOM 266 CA LYS A 18 3.846 2.228 -10.941 1.00 0.00 C ATOM 267 C LYS A 18 2.435 1.689 -11.160 1.00 0.00 C ATOM 268 O LYS A 18 1.581 2.422 -11.636 1.00 0.00 O ATOM 269 CB LYS A 18 4.890 1.901 -12.007 1.00 0.00 C ATOM 270 CG LYS A 18 4.500 0.807 -12.979 1.00 0.00 C ATOM 271 CD LYS A 18 4.778 -0.592 -12.417 1.00 0.00 C ATOM 272 CE LYS A 18 3.793 -1.620 -12.986 1.00 0.00 C ATOM 273 NZ LYS A 18 3.914 -2.919 -12.295 1.00 0.00 N ATOM 0 H LYS A 18 5.191 1.317 -9.650 1.00 0.00 H new ATOM 0 HA LYS A 18 3.713 3.306 -11.031 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.104 2.808 -12.573 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.815 1.610 -11.509 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.440 0.897 -13.218 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.050 0.938 -13.911 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.799 -0.889 -12.659 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.701 -0.573 -11.330 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.774 -1.245 -12.885 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.979 -1.754 -14.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.001 -3.417 -12.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.641 -3.496 -12.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.185 -2.761 -11.304 1.00 0.00 H new ATOM 287 N ALA A 19 2.170 0.433 -10.809 1.00 0.00 N ATOM 288 CA ALA A 19 0.834 -0.145 -10.908 1.00 0.00 C ATOM 289 C ALA A 19 -0.186 0.733 -10.191 1.00 0.00 C ATOM 290 O ALA A 19 -1.118 1.244 -10.806 1.00 0.00 O ATOM 291 CB ALA A 19 0.804 -1.532 -10.291 1.00 0.00 C ATOM 0 H ALA A 19 2.874 -0.211 -10.449 1.00 0.00 H new ATOM 0 HA ALA A 19 0.580 -0.210 -11.966 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.201 -1.946 -10.375 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.508 -2.179 -10.815 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.084 -1.469 -9.239 1.00 0.00 H new ATOM 297 N HIS A 20 0.021 0.959 -8.893 1.00 0.00 N ATOM 298 CA HIS A 20 -0.894 1.776 -8.115 1.00 0.00 C ATOM 299 C HIS A 20 -0.974 3.166 -8.760 1.00 0.00 C ATOM 300 O HIS A 20 -2.029 3.790 -8.805 1.00 0.00 O ATOM 301 CB HIS A 20 -0.465 1.785 -6.638 1.00 0.00 C ATOM 302 CG HIS A 20 -0.773 0.492 -5.909 1.00 0.00 C ATOM 303 ND1 HIS A 20 -0.802 -0.752 -6.494 1.00 0.00 N ATOM 304 CD2 HIS A 20 -1.317 0.350 -4.651 1.00 0.00 C ATOM 305 CE1 HIS A 20 -1.283 -1.611 -5.586 1.00 0.00 C ATOM 306 NE2 HIS A 20 -1.642 -0.995 -4.448 1.00 0.00 N ATOM 0 H HIS A 20 0.811 0.587 -8.366 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.903 1.365 -8.120 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.606 1.979 -6.581 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.965 2.608 -6.128 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -0.511 -0.979 -7.445 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.468 1.147 -3.938 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.372 -2.675 -5.750 1.00 0.00 H new ATOM 314 N ALA A 21 0.126 3.637 -9.347 1.00 0.00 N ATOM 315 CA ALA A 21 0.092 4.883 -10.101 1.00 0.00 C ATOM 316 C ALA A 21 -0.882 4.806 -11.292 1.00 0.00 C ATOM 317 O ALA A 21 -1.801 5.607 -11.392 1.00 0.00 O ATOM 318 CB ALA A 21 1.507 5.305 -10.506 1.00 0.00 C ATOM 0 H ALA A 21 1.037 3.180 -9.315 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.301 5.667 -9.453 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.462 6.238 -11.068 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.114 5.449 -9.612 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.955 4.529 -11.127 1.00 0.00 H new ATOM 324 N GLU A 22 -0.726 3.839 -12.195 1.00 0.00 N ATOM 325 CA GLU A 22 -1.532 3.747 -13.415 1.00 0.00 C ATOM 326 C GLU A 22 -2.995 3.462 -13.089 1.00 0.00 C ATOM 327 O GLU A 22 -3.890 4.042 -13.701 1.00 0.00 O ATOM 328 CB GLU A 22 -0.980 2.735 -14.443 1.00 0.00 C ATOM 329 CG GLU A 22 -0.632 1.349 -13.890 1.00 0.00 C ATOM 330 CD GLU A 22 -0.492 0.277 -14.959 1.00 0.00 C ATOM 331 OE1 GLU A 22 -1.534 -0.030 -15.583 1.00 0.00 O ATOM 332 OE2 GLU A 22 0.619 -0.277 -15.084 1.00 0.00 O ATOM 0 H GLU A 22 -0.035 3.094 -12.102 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.468 4.725 -13.893 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.716 2.614 -15.238 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.085 3.159 -14.899 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.302 1.415 -13.331 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.405 1.046 -13.184 1.00 0.00 H new ATOM 339 N LYS A 23 -3.248 2.545 -12.154 1.00 0.00 N ATOM 340 CA LYS A 23 -4.602 2.157 -11.814 1.00 0.00 C ATOM 341 C LYS A 23 -5.298 3.281 -11.049 1.00 0.00 C ATOM 342 O LYS A 23 -6.464 3.567 -11.316 1.00 0.00 O ATOM 343 CB LYS A 23 -4.605 0.863 -10.995 1.00 0.00 C ATOM 344 CG LYS A 23 -3.881 -0.332 -11.633 1.00 0.00 C ATOM 345 CD LYS A 23 -4.160 -0.541 -13.124 1.00 0.00 C ATOM 346 CE LYS A 23 -3.466 -1.834 -13.579 1.00 0.00 C ATOM 347 NZ LYS A 23 -3.309 -1.888 -15.044 1.00 0.00 N ATOM 0 H LYS A 23 -2.525 2.061 -11.622 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.152 1.974 -12.737 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.147 1.067 -10.027 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.640 0.578 -10.805 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.808 -0.202 -11.495 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.164 -1.237 -11.096 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.233 -0.606 -13.302 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.792 0.308 -13.700 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.487 -1.906 -13.106 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.046 -2.694 -13.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.094 -2.863 -15.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.191 -1.578 -15.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.531 -1.261 -15.333 1.00 0.00 H new ATOM 361 N LEU A 24 -4.608 3.882 -10.073 1.00 0.00 N ATOM 362 CA LEU A 24 -5.225 4.824 -9.153 1.00 0.00 C ATOM 363 C LEU A 24 -5.027 6.260 -9.642 1.00 0.00 C ATOM 364 O LEU A 24 -6.000 7.000 -9.754 1.00 0.00 O ATOM 365 CB LEU A 24 -4.693 4.626 -7.727 1.00 0.00 C ATOM 366 CG LEU A 24 -4.530 3.154 -7.304 1.00 0.00 C ATOM 367 CD1 LEU A 24 -3.769 3.090 -5.977 1.00 0.00 C ATOM 368 CD2 LEU A 24 -5.869 2.429 -7.210 1.00 0.00 C ATOM 0 H LEU A 24 -3.614 3.726 -9.905 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.297 4.631 -9.125 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.728 5.125 -7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.370 5.119 -7.029 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.957 2.637 -8.074 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.652 2.049 -5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.786 3.545 -6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.326 3.630 -5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.702 1.395 -6.909 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.500 2.925 -6.472 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.362 2.449 -8.182 1.00 0.00 H new ATOM 380 N GLY A 25 -3.783 6.657 -9.936 1.00 0.00 N ATOM 381 CA GLY A 25 -3.447 7.975 -10.440 1.00 0.00 C ATOM 382 C GLY A 25 -2.076 8.326 -9.880 1.00 0.00 C ATOM 383 O GLY A 25 -1.053 8.107 -10.526 1.00 0.00 O ATOM 0 H GLY A 25 -2.971 6.050 -9.824 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.432 7.979 -11.530 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.191 8.709 -10.129 1.00 0.00 H new ATOM 387 N CYS A 26 -2.063 8.840 -8.652 1.00 0.00 N ATOM 388 CA CYS A 26 -0.857 9.210 -7.901 1.00 0.00 C ATOM 389 C CYS A 26 -1.301 9.794 -6.562 1.00 0.00 C ATOM 390 O CYS A 26 -0.942 9.330 -5.476 1.00 0.00 O ATOM 391 CB CYS A 26 -0.033 10.238 -8.663 1.00 0.00 C ATOM 392 SG CYS A 26 1.683 10.224 -8.099 1.00 0.00 S ATOM 0 H CYS A 26 -2.921 9.018 -8.130 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.233 8.329 -7.753 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.072 10.024 -9.731 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.460 11.231 -8.521 1.00 0.00 H new ATOM 397 N ASP A 27 -2.169 10.790 -6.721 1.00 0.00 N ATOM 398 CA ASP A 27 -3.044 11.437 -5.758 1.00 0.00 C ATOM 399 C ASP A 27 -3.524 10.461 -4.691 1.00 0.00 C ATOM 400 O ASP A 27 -3.491 10.760 -3.501 1.00 0.00 O ATOM 401 CB ASP A 27 -4.245 12.000 -6.542 1.00 0.00 C ATOM 402 CG ASP A 27 -5.013 10.958 -7.370 1.00 0.00 C ATOM 403 OD1 ASP A 27 -4.385 9.934 -7.747 1.00 0.00 O ATOM 404 OD2 ASP A 27 -6.210 11.209 -7.611 1.00 0.00 O ATOM 0 H ASP A 27 -2.286 11.211 -7.643 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.503 12.229 -5.240 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.935 12.466 -5.839 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.891 12.786 -7.209 1.00 0.00 H new ATOM 409 N ALA A 28 -3.950 9.286 -5.154 1.00 0.00 N ATOM 410 CA ALA A 28 -4.459 8.169 -4.383 1.00 0.00 C ATOM 411 C ALA A 28 -3.637 7.889 -3.125 1.00 0.00 C ATOM 412 O ALA A 28 -4.198 7.469 -2.115 1.00 0.00 O ATOM 413 CB ALA A 28 -4.492 6.949 -5.299 1.00 0.00 C ATOM 0 H ALA A 28 -3.945 9.082 -6.153 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.460 8.414 -4.026 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.872 6.089 -4.747 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.143 7.150 -6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.485 6.735 -5.656 1.00 0.00 H new ATOM 419 N CYS A 29 -2.321 8.113 -3.194 1.00 0.00 N ATOM 420 CA CYS A 29 -1.444 8.080 -2.030 1.00 0.00 C ATOM 421 C CYS A 29 -0.825 9.459 -1.812 1.00 0.00 C ATOM 422 O CYS A 29 -0.834 10.001 -0.709 1.00 0.00 O ATOM 423 CB CYS A 29 -0.365 7.050 -2.230 1.00 0.00 C ATOM 424 SG CYS A 29 -1.076 5.417 -2.588 1.00 0.00 S ATOM 0 H CYS A 29 -1.836 8.323 -4.066 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.026 7.810 -1.149 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.285 7.355 -3.050 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.256 6.991 -1.336 1.00 0.00 H new ATOM 429 N HIS A 30 -0.233 10.023 -2.865 1.00 0.00 N ATOM 430 CA HIS A 30 0.555 11.231 -2.753 1.00 0.00 C ATOM 431 C HIS A 30 -0.350 12.443 -2.883 1.00 0.00 C ATOM 432 O HIS A 30 -0.340 13.114 -3.915 1.00 0.00 O ATOM 433 CB HIS A 30 1.654 11.225 -3.810 1.00 0.00 C ATOM 434 CG HIS A 30 2.721 10.222 -3.493 1.00 0.00 C ATOM 435 ND1 HIS A 30 3.672 10.333 -2.508 1.00 0.00 N ATOM 436 CD2 HIS A 30 3.016 9.114 -4.217 1.00 0.00 C ATOM 437 CE1 HIS A 30 4.530 9.305 -2.655 1.00 0.00 C ATOM 438 NE2 HIS A 30 4.170 8.543 -3.690 1.00 0.00 N ATOM 0 H HIS A 30 -0.291 9.650 -3.813 1.00 0.00 H new ATOM 0 HA HIS A 30 1.035 11.277 -1.775 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.221 11.000 -4.784 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.097 12.218 -3.880 1.00 0.00 H new ATOM 0 HD1 HIS A 30 3.720 11.061 -1.795 1.00 0.00 H new ATOM 0 HD2 HIS A 30 2.452 8.739 -5.058 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.388 9.123 -2.025 1.00 0.00 H new ATOM 446 N GLU A 31 -1.100 12.716 -1.817 1.00 0.00 N ATOM 447 CA GLU A 31 -1.979 13.870 -1.735 1.00 0.00 C ATOM 448 C GLU A 31 -1.278 15.137 -2.212 1.00 0.00 C ATOM 449 O GLU A 31 -0.287 15.591 -1.642 1.00 0.00 O ATOM 450 CB GLU A 31 -2.539 14.030 -0.322 1.00 0.00 C ATOM 451 CG GLU A 31 -3.778 13.143 -0.225 1.00 0.00 C ATOM 452 CD GLU A 31 -4.251 12.976 1.215 1.00 0.00 C ATOM 453 OE1 GLU A 31 -4.133 13.970 1.964 1.00 0.00 O ATOM 454 OE2 GLU A 31 -4.731 11.870 1.537 1.00 0.00 O ATOM 0 H GLU A 31 -1.111 12.133 -0.980 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.822 13.699 -2.405 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.797 13.738 0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.795 15.071 -0.125 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.581 13.575 -0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.557 12.164 -0.650 1.00 0.00 H new ATOM 461 N GLY A 32 -1.813 15.683 -3.297 1.00 0.00 N ATOM 462 CA GLY A 32 -1.259 16.838 -3.980 1.00 0.00 C ATOM 463 C GLY A 32 0.036 16.496 -4.721 1.00 0.00 C ATOM 464 O GLY A 32 0.070 16.550 -5.949 1.00 0.00 O ATOM 0 H GLY A 32 -2.663 15.325 -3.733 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.991 17.226 -4.688 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.065 17.629 -3.256 1.00 0.00 H new ATOM 468 N THR A 33 1.108 16.193 -3.985 1.00 0.00 N ATOM 469 CA THR A 33 2.447 15.984 -4.528 1.00 0.00 C ATOM 470 C THR A 33 3.193 14.927 -3.699 1.00 0.00 C ATOM 471 O THR A 33 2.899 14.760 -2.516 1.00 0.00 O ATOM 472 CB THR A 33 3.220 17.316 -4.530 1.00 0.00 C ATOM 473 OG1 THR A 33 3.111 17.948 -3.270 1.00 0.00 O ATOM 474 CG2 THR A 33 2.704 18.285 -5.599 1.00 0.00 C ATOM 0 H THR A 33 1.065 16.084 -2.972 1.00 0.00 H new ATOM 0 HA THR A 33 2.368 15.623 -5.554 1.00 0.00 H new ATOM 0 HB THR A 33 4.259 17.073 -4.751 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.608 18.793 -3.284 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.280 19.209 -5.561 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.811 17.831 -6.584 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.653 18.505 -5.414 1.00 0.00 H new ATOM 482 N PRO A 34 4.143 14.185 -4.292 1.00 0.00 N ATOM 483 CA PRO A 34 4.917 13.185 -3.577 1.00 0.00 C ATOM 484 C PRO A 34 6.106 13.793 -2.831 1.00 0.00 C ATOM 485 O PRO A 34 6.761 14.707 -3.330 1.00 0.00 O ATOM 486 CB PRO A 34 5.371 12.177 -4.628 1.00 0.00 C ATOM 487 CG PRO A 34 5.533 13.056 -5.853 1.00 0.00 C ATOM 488 CD PRO A 34 4.424 14.104 -5.715 1.00 0.00 C ATOM 0 HA PRO A 34 4.312 12.711 -2.804 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.305 11.688 -4.349 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.634 11.390 -4.785 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.518 13.521 -5.882 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.425 12.481 -6.773 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.745 15.069 -6.107 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.536 13.812 -6.275 1.00 0.00 H new ATOM 496 N ALA A 35 6.404 13.244 -1.649 1.00 0.00 N ATOM 497 CA ALA A 35 7.557 13.593 -0.830 1.00 0.00 C ATOM 498 C ALA A 35 7.772 12.447 0.164 1.00 0.00 C ATOM 499 O ALA A 35 7.768 12.660 1.374 1.00 0.00 O ATOM 500 CB ALA A 35 7.294 14.927 -0.117 1.00 0.00 C ATOM 0 H ALA A 35 5.825 12.519 -1.226 1.00 0.00 H new ATOM 0 HA ALA A 35 8.456 13.723 -1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.157 15.188 0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.125 15.708 -0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.413 14.833 0.518 1.00 0.00 H new ATOM 506 N LYS A 36 7.897 11.220 -0.363 1.00 0.00 N ATOM 507 CA LYS A 36 7.634 9.980 0.351 1.00 0.00 C ATOM 508 C LYS A 36 6.236 9.942 0.972 1.00 0.00 C ATOM 509 O LYS A 36 5.482 10.912 0.923 1.00 0.00 O ATOM 510 CB LYS A 36 8.745 9.697 1.371 1.00 0.00 C ATOM 511 CG LYS A 36 10.060 9.414 0.635 1.00 0.00 C ATOM 512 CD LYS A 36 11.183 9.025 1.593 1.00 0.00 C ATOM 513 CE LYS A 36 10.991 7.588 2.088 1.00 0.00 C ATOM 514 NZ LYS A 36 11.512 6.562 1.160 1.00 0.00 N ATOM 0 H LYS A 36 8.193 11.068 -1.327 1.00 0.00 H new ATOM 0 HA LYS A 36 7.645 9.170 -0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.866 10.551 2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.473 8.843 1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.906 8.612 -0.086 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.356 10.298 0.070 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.146 9.117 1.091 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.199 9.709 2.441 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.486 7.477 3.053 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.928 7.409 2.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.919 5.709 1.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.495 6.932 0.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.490 6.322 1.421 1.00 0.00 H new ATOM 528 N ILE A 37 5.892 8.772 1.517 1.00 0.00 N ATOM 529 CA ILE A 37 4.831 8.626 2.510 1.00 0.00 C ATOM 530 C ILE A 37 5.461 8.144 3.814 1.00 0.00 C ATOM 531 O ILE A 37 5.230 8.715 4.874 1.00 0.00 O ATOM 532 CB ILE A 37 3.746 7.642 2.047 1.00 0.00 C ATOM 533 CG1 ILE A 37 3.307 7.842 0.591 1.00 0.00 C ATOM 534 CG2 ILE A 37 2.545 7.685 3.001 1.00 0.00 C ATOM 535 CD1 ILE A 37 2.469 9.100 0.355 1.00 0.00 C ATOM 0 H ILE A 37 6.349 7.892 1.277 1.00 0.00 H new ATOM 0 HA ILE A 37 4.343 9.590 2.653 1.00 0.00 H new ATOM 0 HB ILE A 37 4.196 6.650 2.079 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.194 7.886 -0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.732 6.972 0.274 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.784 6.983 2.660 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.868 7.411 4.005 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.128 8.692 3.016 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.201 9.166 -0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.562 9.052 0.958 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.046 9.980 0.638 1.00 0.00 H new ATOM 547 N ALA A 38 6.254 7.077 3.687 1.00 0.00 N ATOM 548 CA ALA A 38 6.866 6.307 4.756 1.00 0.00 C ATOM 549 C ALA A 38 5.783 5.539 5.502 1.00 0.00 C ATOM 550 O ALA A 38 5.274 5.984 6.526 1.00 0.00 O ATOM 551 CB ALA A 38 7.722 7.181 5.665 1.00 0.00 C ATOM 0 H ALA A 38 6.498 6.708 2.768 1.00 0.00 H new ATOM 0 HA ALA A 38 7.558 5.580 4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.162 6.567 6.451 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.516 7.646 5.081 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.101 7.956 6.114 1.00 0.00 H new ATOM 557 N ILE A 39 5.405 4.392 4.941 1.00 0.00 N ATOM 558 CA ILE A 39 4.405 3.523 5.527 1.00 0.00 C ATOM 559 C ILE A 39 5.088 2.462 6.383 1.00 0.00 C ATOM 560 O ILE A 39 5.750 1.565 5.867 1.00 0.00 O ATOM 561 CB ILE A 39 3.514 2.946 4.422 1.00 0.00 C ATOM 562 CG1 ILE A 39 2.647 4.048 3.793 1.00 0.00 C ATOM 563 CG2 ILE A 39 2.653 1.798 4.955 1.00 0.00 C ATOM 564 CD1 ILE A 39 1.774 4.817 4.791 1.00 0.00 C ATOM 0 H ILE A 39 5.790 4.044 4.063 1.00 0.00 H new ATOM 0 HA ILE A 39 3.747 4.081 6.193 1.00 0.00 H new ATOM 0 HB ILE A 39 4.158 2.540 3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.298 4.755 3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.003 3.599 3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.030 1.407 4.151 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.298 1.005 5.333 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.017 2.164 5.761 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.196 5.574 4.261 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.095 4.125 5.289 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.409 5.299 5.534 1.00 0.00 H new ATOM 576 N ASP A 40 4.879 2.583 7.692 1.00 0.00 N ATOM 577 CA ASP A 40 5.321 1.659 8.720 1.00 0.00 C ATOM 578 C ASP A 40 4.161 0.722 9.012 1.00 0.00 C ATOM 579 O ASP A 40 3.007 1.095 8.782 1.00 0.00 O ATOM 580 CB ASP A 40 5.608 2.383 10.051 1.00 0.00 C ATOM 581 CG ASP A 40 6.308 3.724 9.930 1.00 0.00 C ATOM 582 OD1 ASP A 40 5.570 4.701 9.678 1.00 0.00 O ATOM 583 OD2 ASP A 40 7.534 3.752 10.165 1.00 0.00 O ATOM 0 H ASP A 40 4.367 3.375 8.080 1.00 0.00 H new ATOM 0 HA ASP A 40 6.222 1.159 8.366 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.663 2.532 10.574 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.218 1.730 10.675 1.00 0.00 H new ATOM 588 N LYS A 41 4.464 -0.407 9.656 1.00 0.00 N ATOM 589 CA LYS A 41 3.557 -1.266 10.401 1.00 0.00 C ATOM 590 C LYS A 41 2.277 -0.575 10.882 1.00 0.00 C ATOM 591 O LYS A 41 1.174 -1.085 10.687 1.00 0.00 O ATOM 592 CB LYS A 41 4.314 -1.897 11.583 1.00 0.00 C ATOM 593 CG LYS A 41 5.216 -1.011 12.465 1.00 0.00 C ATOM 594 CD LYS A 41 6.674 -0.957 11.968 1.00 0.00 C ATOM 595 CE LYS A 41 7.600 -0.175 12.906 1.00 0.00 C ATOM 596 NZ LYS A 41 7.867 -0.903 14.160 1.00 0.00 N ATOM 0 H LYS A 41 5.419 -0.766 9.668 1.00 0.00 H new ATOM 0 HA LYS A 41 3.216 -2.035 9.707 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.574 -2.361 12.235 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.934 -2.699 11.183 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.809 -0.000 12.492 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.200 -1.389 13.487 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.052 -1.973 11.858 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.698 -0.499 10.979 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.543 0.027 12.398 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.149 0.790 13.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.537 -0.360 14.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.978 -1.029 14.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.275 -1.834 13.941 1.00 0.00 H new ATOM 610 N LYS A 42 2.432 0.572 11.541 1.00 0.00 N ATOM 611 CA LYS A 42 1.332 1.348 12.076 1.00 0.00 C ATOM 612 C LYS A 42 0.409 1.815 10.940 1.00 0.00 C ATOM 613 O LYS A 42 -0.669 1.259 10.742 1.00 0.00 O ATOM 614 CB LYS A 42 1.909 2.496 12.928 1.00 0.00 C ATOM 615 CG LYS A 42 0.990 2.815 14.106 1.00 0.00 C ATOM 616 CD LYS A 42 1.465 4.100 14.800 1.00 0.00 C ATOM 617 CE LYS A 42 0.691 4.397 16.093 1.00 0.00 C ATOM 618 NZ LYS A 42 1.055 3.481 17.193 1.00 0.00 N ATOM 0 H LYS A 42 3.346 0.990 11.717 1.00 0.00 H new ATOM 0 HA LYS A 42 0.704 0.744 12.731 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.897 2.220 13.297 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.036 3.385 12.310 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.036 2.936 13.757 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.990 1.986 14.814 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.527 4.013 15.029 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.355 4.940 14.114 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.885 5.424 16.401 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.379 4.319 15.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.506 3.723 18.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.846 2.502 16.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.070 3.573 17.400 1.00 0.00 H new ATOM 632 N SER A 43 0.829 2.836 10.190 1.00 0.00 N ATOM 633 CA SER A 43 0.077 3.458 9.113 1.00 0.00 C ATOM 634 C SER A 43 -0.490 2.415 8.149 1.00 0.00 C ATOM 635 O SER A 43 -1.677 2.428 7.819 1.00 0.00 O ATOM 636 CB SER A 43 1.035 4.413 8.401 1.00 0.00 C ATOM 637 OG SER A 43 1.743 5.153 9.383 1.00 0.00 O ATOM 0 H SER A 43 1.744 3.266 10.328 1.00 0.00 H new ATOM 0 HA SER A 43 -0.783 3.998 9.508 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.730 3.855 7.773 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.482 5.085 7.745 1.00 0.00 H new ATOM 0 HG SER A 43 2.364 5.770 8.943 1.00 0.00 H new ATOM 643 N ALA A 44 0.390 1.499 7.740 1.00 0.00 N ATOM 644 CA ALA A 44 0.131 0.330 6.920 1.00 0.00 C ATOM 645 C ALA A 44 -1.221 -0.314 7.223 1.00 0.00 C ATOM 646 O ALA A 44 -2.107 -0.378 6.362 1.00 0.00 O ATOM 647 CB ALA A 44 1.259 -0.651 7.208 1.00 0.00 C ATOM 0 H ALA A 44 1.375 1.567 7.997 1.00 0.00 H new ATOM 0 HA ALA A 44 0.093 0.617 5.869 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.116 -1.555 6.615 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.214 -0.194 6.948 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.256 -0.908 8.267 1.00 0.00 H new ATOM 653 N HIS A 45 -1.330 -0.811 8.458 1.00 0.00 N ATOM 654 CA HIS A 45 -2.484 -1.540 8.952 1.00 0.00 C ATOM 655 C HIS A 45 -3.580 -0.581 9.420 1.00 0.00 C ATOM 656 O HIS A 45 -4.738 -0.986 9.494 1.00 0.00 O ATOM 657 CB HIS A 45 -2.063 -2.471 10.099 1.00 0.00 C ATOM 658 CG HIS A 45 -1.650 -3.864 9.686 1.00 0.00 C ATOM 659 ND1 HIS A 45 -2.131 -5.017 10.257 1.00 0.00 N ATOM 660 CD2 HIS A 45 -0.666 -4.227 8.799 1.00 0.00 C ATOM 661 CE1 HIS A 45 -1.452 -6.046 9.726 1.00 0.00 C ATOM 662 NE2 HIS A 45 -0.548 -5.627 8.827 1.00 0.00 N ATOM 0 H HIS A 45 -0.593 -0.710 9.156 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.888 -2.139 8.136 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.234 -2.008 10.634 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.892 -2.550 10.803 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -2.870 -5.080 10.957 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -0.084 -3.554 8.187 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -1.613 -7.081 9.989 1.00 0.00 H new ATOM 670 N LYS A 46 -3.230 0.660 9.771 1.00 0.00 N ATOM 671 CA LYS A 46 -4.190 1.631 10.271 1.00 0.00 C ATOM 672 C LYS A 46 -5.149 1.988 9.137 1.00 0.00 C ATOM 673 O LYS A 46 -6.341 1.703 9.231 1.00 0.00 O ATOM 674 CB LYS A 46 -3.435 2.831 10.866 1.00 0.00 C ATOM 675 CG LYS A 46 -4.298 3.874 11.592 1.00 0.00 C ATOM 676 CD LYS A 46 -5.070 4.779 10.629 1.00 0.00 C ATOM 677 CE LYS A 46 -5.560 6.073 11.293 1.00 0.00 C ATOM 678 NZ LYS A 46 -6.396 6.868 10.368 1.00 0.00 N ATOM 0 H LYS A 46 -2.275 1.013 9.714 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.797 1.229 11.082 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.688 2.455 11.566 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.895 3.331 10.062 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.003 3.363 12.247 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.660 4.488 12.228 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.431 5.030 9.782 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.926 4.233 10.232 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.133 5.831 12.188 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.704 6.666 11.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.951 7.794 10.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.486 6.365 9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.339 7.005 10.784 1.00 0.00 H new ATOM 692 N ASP A 47 -4.635 2.626 8.080 1.00 0.00 N ATOM 693 CA ASP A 47 -5.430 2.998 6.917 1.00 0.00 C ATOM 694 C ASP A 47 -4.620 3.240 5.640 1.00 0.00 C ATOM 695 O ASP A 47 -5.178 3.744 4.671 1.00 0.00 O ATOM 696 CB ASP A 47 -6.288 4.230 7.230 1.00 0.00 C ATOM 697 CG ASP A 47 -5.488 5.501 7.473 1.00 0.00 C ATOM 698 OD1 ASP A 47 -4.242 5.451 7.410 1.00 0.00 O ATOM 699 OD2 ASP A 47 -6.138 6.491 7.879 1.00 0.00 O ATOM 0 H ASP A 47 -3.654 2.897 8.012 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.061 2.133 6.711 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.976 4.400 6.402 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.895 4.022 8.111 1.00 0.00 H new ATOM 704 N ALA A 48 -3.340 2.870 5.579 1.00 0.00 N ATOM 705 CA ALA A 48 -2.581 3.101 4.359 1.00 0.00 C ATOM 706 C ALA A 48 -2.880 2.009 3.333 1.00 0.00 C ATOM 707 O ALA A 48 -3.349 2.290 2.233 1.00 0.00 O ATOM 708 CB ALA A 48 -1.095 3.224 4.663 1.00 0.00 C ATOM 0 H ALA A 48 -2.824 2.423 6.337 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.891 4.049 3.920 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.547 3.396 3.737 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.931 4.060 5.343 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.741 2.304 5.128 1.00 0.00 H new ATOM 714 N CYS A 49 -2.608 0.754 3.689 1.00 0.00 N ATOM 715 CA CYS A 49 -2.860 -0.399 2.846 1.00 0.00 C ATOM 716 C CYS A 49 -4.186 -1.040 3.268 1.00 0.00 C ATOM 717 O CYS A 49 -5.051 -1.323 2.434 1.00 0.00 O ATOM 718 CB CYS A 49 -1.717 -1.381 2.944 1.00 0.00 C ATOM 719 SG CYS A 49 -0.051 -0.640 3.042 1.00 0.00 S ATOM 0 H CYS A 49 -2.198 0.513 4.591 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.934 -0.089 1.804 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -1.871 -2.004 3.825 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.752 -2.040 2.077 1.00 0.00 H new ATOM 724 N LYS A 50 -4.381 -1.281 4.570 1.00 0.00 N ATOM 725 CA LYS A 50 -5.592 -1.933 5.065 1.00 0.00 C ATOM 726 C LYS A 50 -6.757 -0.931 5.137 1.00 0.00 C ATOM 727 O LYS A 50 -7.343 -0.705 6.191 1.00 0.00 O ATOM 728 CB LYS A 50 -5.284 -2.649 6.394 1.00 0.00 C ATOM 729 CG LYS A 50 -6.426 -3.479 7.016 1.00 0.00 C ATOM 730 CD LYS A 50 -6.948 -4.652 6.171 1.00 0.00 C ATOM 731 CE LYS A 50 -5.959 -5.828 6.137 1.00 0.00 C ATOM 732 NZ LYS A 50 -6.531 -7.006 5.451 1.00 0.00 N ATOM 0 H LYS A 50 -3.712 -1.032 5.299 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.922 -2.704 4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.431 -3.309 6.235 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.974 -1.898 7.121 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.083 -3.872 7.973 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.260 -2.810 7.227 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.901 -4.993 6.575 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.137 -4.309 5.154 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.045 -5.520 5.629 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.682 -6.099 7.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.834 -7.778 5.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.389 -7.316 5.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.772 -6.754 4.471 1.00 0.00 H new ATOM 746 N THR A 51 -7.145 -0.372 3.990 1.00 0.00 N ATOM 747 CA THR A 51 -8.431 0.305 3.829 1.00 0.00 C ATOM 748 C THR A 51 -8.900 0.224 2.379 1.00 0.00 C ATOM 749 O THR A 51 -10.047 -0.128 2.115 1.00 0.00 O ATOM 750 CB THR A 51 -8.406 1.746 4.366 1.00 0.00 C ATOM 751 OG1 THR A 51 -9.735 2.201 4.501 1.00 0.00 O ATOM 752 CG2 THR A 51 -7.648 2.723 3.463 1.00 0.00 C ATOM 0 H THR A 51 -6.574 -0.376 3.145 1.00 0.00 H new ATOM 0 HA THR A 51 -9.165 -0.220 4.441 1.00 0.00 H new ATOM 0 HB THR A 51 -7.882 1.719 5.321 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.733 3.119 4.844 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.672 3.719 3.904 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.613 2.396 3.361 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.119 2.750 2.480 1.00 0.00 H new ATOM 760 N CYS A 52 -8.007 0.510 1.430 1.00 0.00 N ATOM 761 CA CYS A 52 -8.322 0.469 0.014 1.00 0.00 C ATOM 762 C CYS A 52 -8.862 -0.899 -0.393 1.00 0.00 C ATOM 763 O CYS A 52 -9.943 -0.995 -0.971 1.00 0.00 O ATOM 764 CB CYS A 52 -7.091 0.811 -0.773 1.00 0.00 C ATOM 765 SG CYS A 52 -6.978 2.609 -0.996 1.00 0.00 S ATOM 0 H CYS A 52 -7.043 0.777 1.630 1.00 0.00 H new ATOM 0 HA CYS A 52 -9.102 1.200 -0.197 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -6.205 0.444 -0.256 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -7.121 0.317 -1.744 1.00 0.00 H new ATOM 770 N HIS A 53 -8.108 -1.957 -0.083 1.00 0.00 N ATOM 771 CA HIS A 53 -8.394 -3.321 -0.515 1.00 0.00 C ATOM 772 C HIS A 53 -9.537 -3.922 0.325 1.00 0.00 C ATOM 773 O HIS A 53 -9.346 -4.917 1.024 1.00 0.00 O ATOM 774 CB HIS A 53 -7.117 -4.191 -0.487 1.00 0.00 C ATOM 775 CG HIS A 53 -5.826 -3.460 -0.750 1.00 0.00 C ATOM 776 ND1 HIS A 53 -5.123 -2.764 0.204 1.00 0.00 N ATOM 777 CD2 HIS A 53 -5.169 -3.294 -1.944 1.00 0.00 C ATOM 778 CE1 HIS A 53 -4.083 -2.193 -0.412 1.00 0.00 C ATOM 779 NE2 HIS A 53 -4.058 -2.482 -1.713 1.00 0.00 N ATOM 0 H HIS A 53 -7.265 -1.884 0.487 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.732 -3.299 -1.551 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -7.049 -4.673 0.488 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -7.222 -4.984 -1.228 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -5.352 -2.696 1.196 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.460 -3.717 -2.894 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.352 -1.573 0.084 1.00 0.00 H new ATOM 787 N LYS A 54 -10.706 -3.278 0.304 1.00 0.00 N ATOM 788 CA LYS A 54 -11.908 -3.638 1.037 1.00 0.00 C ATOM 789 C LYS A 54 -13.078 -3.772 0.066 1.00 0.00 C ATOM 790 O LYS A 54 -13.646 -4.852 -0.077 1.00 0.00 O ATOM 791 CB LYS A 54 -12.205 -2.569 2.094 1.00 0.00 C ATOM 792 CG LYS A 54 -11.137 -2.591 3.190 1.00 0.00 C ATOM 793 CD LYS A 54 -11.315 -3.756 4.168 1.00 0.00 C ATOM 794 CE LYS A 54 -11.833 -3.281 5.535 1.00 0.00 C ATOM 795 NZ LYS A 54 -13.126 -2.570 5.433 1.00 0.00 N ATOM 0 H LYS A 54 -10.840 -2.440 -0.262 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.760 -4.594 1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.235 -1.585 1.627 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -13.188 -2.744 2.532 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.151 -2.657 2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.169 -1.651 3.741 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.012 -4.480 3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.362 -4.269 4.299 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.945 -4.140 6.196 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.094 -2.622 5.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.491 -2.375 6.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.990 -1.673 4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.808 -3.162 4.916 1.00 0.00 H new ATOM 809 N SER A 55 -13.448 -2.659 -0.573 1.00 0.00 N ATOM 810 CA SER A 55 -14.669 -2.531 -1.361 1.00 0.00 C ATOM 811 C SER A 55 -14.343 -2.034 -2.767 1.00 0.00 C ATOM 812 O SER A 55 -15.011 -1.143 -3.286 1.00 0.00 O ATOM 813 CB SER A 55 -15.630 -1.587 -0.629 1.00 0.00 C ATOM 814 OG SER A 55 -15.800 -2.030 0.707 1.00 0.00 O ATOM 0 H SER A 55 -12.892 -1.804 -0.554 1.00 0.00 H new ATOM 0 HA SER A 55 -15.151 -3.502 -1.471 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.237 -0.570 -0.639 1.00 0.00 H new ATOM 0 HB3 SER A 55 -16.592 -1.562 -1.140 1.00 0.00 H new ATOM 0 HG SER A 55 -16.413 -1.426 1.176 1.00 0.00 H new ATOM 820 N ASN A 56 -13.302 -2.615 -3.363 1.00 0.00 N ATOM 821 CA ASN A 56 -12.841 -2.338 -4.718 1.00 0.00 C ATOM 822 C ASN A 56 -12.643 -3.654 -5.472 1.00 0.00 C ATOM 823 O ASN A 56 -13.215 -3.843 -6.542 1.00 0.00 O ATOM 824 CB ASN A 56 -11.571 -1.466 -4.698 1.00 0.00 C ATOM 825 CG ASN A 56 -10.390 -2.052 -3.917 1.00 0.00 C ATOM 826 OD1 ASN A 56 -10.541 -2.997 -3.143 1.00 0.00 O ATOM 827 ND2 ASN A 56 -9.199 -1.497 -4.116 1.00 0.00 N ATOM 0 H ASN A 56 -12.735 -3.321 -2.893 1.00 0.00 H new ATOM 0 HA ASN A 56 -13.598 -1.763 -5.252 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -11.254 -1.290 -5.726 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -11.823 -0.495 -4.271 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.381 -1.853 -3.621 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.103 -0.715 -4.763 1.00 0.00 H new ATOM 834 N ASN A 57 -11.859 -4.569 -4.894 1.00 0.00 N ATOM 835 CA ASN A 57 -11.510 -5.856 -5.474 1.00 0.00 C ATOM 836 C ASN A 57 -12.161 -6.938 -4.617 1.00 0.00 C ATOM 837 O ASN A 57 -13.052 -7.646 -5.077 1.00 0.00 O ATOM 838 CB ASN A 57 -9.979 -6.023 -5.527 1.00 0.00 C ATOM 839 CG ASN A 57 -9.265 -5.012 -6.430 1.00 0.00 C ATOM 840 OD1 ASN A 57 -9.826 -4.005 -6.848 1.00 0.00 O ATOM 841 ND2 ASN A 57 -7.993 -5.261 -6.726 1.00 0.00 N ATOM 0 H ASN A 57 -11.438 -4.422 -3.977 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.872 -5.931 -6.499 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.580 -5.935 -4.516 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.747 -7.030 -5.874 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.468 -4.609 -7.309 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.542 -6.104 -6.370 1.00 0.00 H new ATOM 848 N GLY A 58 -11.738 -7.049 -3.355 1.00 0.00 N ATOM 849 CA GLY A 58 -12.291 -7.995 -2.399 1.00 0.00 C ATOM 850 C GLY A 58 -11.360 -8.109 -1.190 1.00 0.00 C ATOM 851 O GLY A 58 -10.294 -7.491 -1.188 1.00 0.00 O ATOM 0 H GLY A 58 -10.990 -6.473 -2.969 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -13.280 -7.667 -2.079 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.415 -8.971 -2.868 1.00 0.00 H new ATOM 855 N PRO A 59 -11.758 -8.877 -0.163 1.00 0.00 N ATOM 856 CA PRO A 59 -10.943 -9.145 1.012 1.00 0.00 C ATOM 857 C PRO A 59 -9.799 -10.110 0.679 1.00 0.00 C ATOM 858 O PRO A 59 -9.792 -10.734 -0.379 1.00 0.00 O ATOM 859 CB PRO A 59 -11.914 -9.749 2.032 1.00 0.00 C ATOM 860 CG PRO A 59 -12.930 -10.473 1.149 1.00 0.00 C ATOM 861 CD PRO A 59 -13.037 -9.560 -0.073 1.00 0.00 C ATOM 0 HA PRO A 59 -10.463 -8.245 1.397 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.410 -10.434 2.713 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.386 -8.981 2.645 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.589 -11.472 0.878 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.890 -10.589 1.651 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -13.238 -10.136 -0.976 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.855 -8.848 0.040 1.00 0.00 H new ATOM 869 N THR A 60 -8.831 -10.218 1.594 1.00 0.00 N ATOM 870 CA THR A 60 -7.580 -10.943 1.398 1.00 0.00 C ATOM 871 C THR A 60 -7.392 -12.013 2.477 1.00 0.00 C ATOM 872 O THR A 60 -7.106 -13.165 2.168 1.00 0.00 O ATOM 873 CB THR A 60 -6.434 -9.923 1.398 1.00 0.00 C ATOM 874 OG1 THR A 60 -6.574 -9.013 2.483 1.00 0.00 O ATOM 875 CG2 THR A 60 -6.448 -9.125 0.089 1.00 0.00 C ATOM 0 H THR A 60 -8.902 -9.790 2.517 1.00 0.00 H new ATOM 0 HA THR A 60 -7.594 -11.470 0.444 1.00 0.00 H new ATOM 0 HB THR A 60 -5.495 -10.467 1.498 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.834 -8.371 2.469 1.00 0.00 H new ATOM 0 HG21 THR A 60 -5.632 -8.402 0.095 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.324 -9.806 -0.753 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.398 -8.599 -0.006 1.00 0.00 H new ATOM 883 N LYS A 61 -7.599 -11.632 3.744 1.00 0.00 N ATOM 884 CA LYS A 61 -7.516 -12.527 4.899 1.00 0.00 C ATOM 885 C LYS A 61 -6.044 -12.894 5.169 1.00 0.00 C ATOM 886 O LYS A 61 -5.628 -14.047 5.104 1.00 0.00 O ATOM 887 CB LYS A 61 -8.477 -13.726 4.724 1.00 0.00 C ATOM 888 CG LYS A 61 -9.473 -13.881 5.879 1.00 0.00 C ATOM 889 CD LYS A 61 -8.773 -14.222 7.203 1.00 0.00 C ATOM 890 CE LYS A 61 -9.736 -14.842 8.230 1.00 0.00 C ATOM 891 NZ LYS A 61 -10.897 -13.978 8.530 1.00 0.00 N ATOM 0 H LYS A 61 -7.834 -10.672 3.997 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.861 -12.027 5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.029 -13.607 3.792 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.892 -14.641 4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.039 -12.957 5.996 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.190 -14.665 5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.955 -14.916 7.011 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.332 -13.317 7.622 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.092 -15.801 7.853 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.193 -15.044 9.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.454 -14.400 9.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.563 -13.037 8.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.491 -13.888 7.681 1.00 0.00 H new ATOM 905 N CYS A 62 -5.266 -11.853 5.476 1.00 0.00 N ATOM 906 CA CYS A 62 -3.814 -11.801 5.363 1.00 0.00 C ATOM 907 C CYS A 62 -3.369 -12.136 3.937 1.00 0.00 C ATOM 908 O CYS A 62 -4.152 -11.963 3.004 1.00 0.00 O ATOM 909 CB CYS A 62 -3.057 -12.538 6.448 1.00 0.00 C ATOM 910 SG CYS A 62 -3.650 -12.287 8.151 1.00 0.00 S ATOM 0 H CYS A 62 -5.657 -10.979 5.828 1.00 0.00 H new ATOM 0 HA CYS A 62 -3.527 -10.767 5.555 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.092 -13.605 6.226 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.011 -12.237 6.401 1.00 0.00 H new ATOM 915 N GLY A 63 -2.102 -12.512 3.739 1.00 0.00 N ATOM 916 CA GLY A 63 -1.588 -12.998 2.461 1.00 0.00 C ATOM 917 C GLY A 63 -1.276 -11.867 1.479 1.00 0.00 C ATOM 918 O GLY A 63 -0.206 -11.844 0.880 1.00 0.00 O ATOM 0 H GLY A 63 -1.396 -12.486 4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.684 -13.581 2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.319 -13.671 2.013 1.00 0.00 H new ATOM 922 N GLY A 64 -2.214 -10.931 1.324 1.00 0.00 N ATOM 923 CA GLY A 64 -2.222 -9.870 0.327 1.00 0.00 C ATOM 924 C GLY A 64 -0.856 -9.247 0.032 1.00 0.00 C ATOM 925 O GLY A 64 -0.508 -9.044 -1.127 1.00 0.00 O ATOM 0 H GLY A 64 -3.035 -10.895 1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.631 -10.268 -0.602 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.898 -9.083 0.661 1.00 0.00 H new ATOM 929 N CYS A 65 -0.129 -8.880 1.089 1.00 0.00 N ATOM 930 CA CYS A 65 0.967 -7.919 1.030 1.00 0.00 C ATOM 931 C CYS A 65 2.277 -8.560 1.489 1.00 0.00 C ATOM 932 O CYS A 65 3.321 -8.368 0.867 1.00 0.00 O ATOM 933 CB CYS A 65 0.593 -6.736 1.886 1.00 0.00 C ATOM 934 SG CYS A 65 -1.098 -6.182 1.468 1.00 0.00 S ATOM 0 H CYS A 65 -0.291 -9.251 2.025 1.00 0.00 H new ATOM 0 HA CYS A 65 1.128 -7.588 0.004 1.00 0.00 H new ATOM 0 HB2 CYS A 65 0.647 -7.007 2.941 1.00 0.00 H new ATOM 0 HB3 CYS A 65 1.302 -5.923 1.729 1.00 0.00 H new ATOM 939 N HIS A 66 2.223 -9.318 2.590 1.00 0.00 N ATOM 940 CA HIS A 66 3.386 -10.026 3.102 1.00 0.00 C ATOM 941 C HIS A 66 3.616 -11.273 2.269 1.00 0.00 C ATOM 942 O HIS A 66 2.758 -12.155 2.246 1.00 0.00 O ATOM 943 CB HIS A 66 3.185 -10.436 4.562 1.00 0.00 C ATOM 944 CG HIS A 66 3.011 -9.273 5.487 1.00 0.00 C ATOM 945 ND1 HIS A 66 3.975 -8.341 5.795 1.00 0.00 N ATOM 946 CD2 HIS A 66 1.858 -8.932 6.142 1.00 0.00 C ATOM 947 CE1 HIS A 66 3.395 -7.466 6.635 1.00 0.00 C ATOM 948 NE2 HIS A 66 2.103 -7.773 6.859 1.00 0.00 N ATOM 0 H HIS A 66 1.376 -9.453 3.142 1.00 0.00 H new ATOM 0 HA HIS A 66 4.247 -9.360 3.043 1.00 0.00 H new ATOM 0 HB2 HIS A 66 2.310 -11.082 4.633 1.00 0.00 H new ATOM 0 HB3 HIS A 66 4.043 -11.025 4.888 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.936 -8.318 5.455 1.00 0.00 H new ATOM 0 HD2 HIS A 66 0.923 -9.471 6.106 1.00 0.00 H new ATOM 0 HE1 HIS A 66 3.903 -6.621 7.076 1.00 0.00 H new ATOM 956 N ILE A 67 4.785 -11.385 1.647 1.00 0.00 N ATOM 957 CA ILE A 67 5.134 -12.555 0.866 1.00 0.00 C ATOM 958 C ILE A 67 5.677 -13.593 1.849 1.00 0.00 C ATOM 959 O ILE A 67 6.886 -13.803 1.944 1.00 0.00 O ATOM 960 CB ILE A 67 6.104 -12.152 -0.259 1.00 0.00 C ATOM 961 CG1 ILE A 67 5.567 -10.957 -1.077 1.00 0.00 C ATOM 962 CG2 ILE A 67 6.399 -13.342 -1.184 1.00 0.00 C ATOM 963 CD1 ILE A 67 4.175 -11.162 -1.687 1.00 0.00 C ATOM 0 H ILE A 67 5.510 -10.668 1.673 1.00 0.00 H new ATOM 0 HA ILE A 67 4.283 -13.001 0.351 1.00 0.00 H new ATOM 0 HB ILE A 67 7.034 -11.841 0.216 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.539 -10.078 -0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.271 -10.741 -1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.087 -13.030 -1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.850 -14.149 -0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.470 -13.693 -1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.886 -10.269 -2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.196 -12.018 -2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.453 -11.345 -0.892 1.00 0.00 H new ATOM 975 N LYS A 68 4.766 -14.207 2.609 1.00 0.00 N ATOM 976 CA LYS A 68 5.036 -15.339 3.470 1.00 0.00 C ATOM 977 C LYS A 68 4.129 -16.483 3.025 1.00 0.00 C ATOM 978 O LYS A 68 4.566 -17.648 3.161 1.00 0.00 O ATOM 979 CB LYS A 68 4.770 -14.967 4.934 1.00 0.00 C ATOM 980 CG LYS A 68 5.338 -16.063 5.842 1.00 0.00 C ATOM 981 CD LYS A 68 5.007 -15.820 7.315 1.00 0.00 C ATOM 982 CE LYS A 68 5.723 -16.892 8.149 1.00 0.00 C ATOM 983 NZ LYS A 68 5.577 -16.661 9.597 1.00 0.00 N ATOM 984 OXT LYS A 68 3.002 -16.164 2.586 1.00 0.00 O ATOM 0 H LYS A 68 3.790 -13.912 2.636 1.00 0.00 H new ATOM 0 HA LYS A 68 6.081 -15.640 3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.232 -14.008 5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.699 -14.855 5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.938 -17.030 5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.420 -16.112 5.717 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.330 -14.824 7.618 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.930 -15.869 7.476 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.322 -17.874 7.897 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.782 -16.904 7.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.076 -17.409 10.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.983 -15.736 9.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.569 -16.675 9.851 1.00 0.00 H new TER 998 LYS A 68 HETATM 999 FE HEC A 69 5.099 7.030 -4.428 1.00 0.00 FE HETATM 1000 CHA HEC A 69 7.780 7.272 -2.267 1.00 0.00 C HETATM 1001 CHB HEC A 69 6.535 9.351 -6.448 1.00 0.00 C HETATM 1002 CHC HEC A 69 2.513 6.658 -6.624 1.00 0.00 C HETATM 1003 CHD HEC A 69 3.411 5.172 -2.079 1.00 0.00 C HETATM 1004 NA HEC A 69 6.844 8.041 -4.404 1.00 0.00 N HETATM 1005 C1A HEC A 69 7.819 7.960 -3.454 1.00 0.00 C HETATM 1006 C2A HEC A 69 8.922 8.804 -3.870 1.00 0.00 C HETATM 1007 C3A HEC A 69 8.536 9.422 -5.028 1.00 0.00 C HETATM 1008 C4A HEC A 69 7.219 8.934 -5.348 1.00 0.00 C HETATM 1009 CMA HEC A 69 9.373 10.374 -5.856 1.00 0.00 C HETATM 1010 CAA HEC A 69 10.242 9.038 -3.167 1.00 0.00 C HETATM 1011 CBA HEC A 69 11.285 7.943 -3.429 1.00 0.00 C HETATM 1012 CGA HEC A 69 10.964 6.664 -2.654 1.00 0.00 C HETATM 1013 O1A HEC A 69 10.598 5.664 -3.305 1.00 0.00 O HETATM 1014 O2A HEC A 69 11.017 6.746 -1.402 1.00 0.00 O HETATM 1015 NB HEC A 69 4.681 7.755 -6.250 1.00 0.00 N HETATM 1016 C1B HEC A 69 5.377 8.745 -6.861 1.00 0.00 C HETATM 1017 C2B HEC A 69 4.709 9.087 -8.092 1.00 0.00 C HETATM 1018 C3B HEC A 69 3.551 8.349 -8.139 1.00 0.00 C HETATM 1019 C4B HEC A 69 3.567 7.471 -6.985 1.00 0.00 C HETATM 1020 CMB HEC A 69 5.153 10.106 -9.121 1.00 0.00 C HETATM 1021 CAB HEC A 69 2.315 8.731 -8.928 1.00 0.00 C HETATM 1022 CBB HEC A 69 2.519 8.985 -10.427 1.00 0.00 C HETATM 1023 NC HEC A 69 3.329 6.097 -4.370 1.00 0.00 N HETATM 1024 C1C HEC A 69 2.425 6.075 -5.379 1.00 0.00 C HETATM 1025 C2C HEC A 69 1.243 5.387 -4.926 1.00 0.00 C HETATM 1026 C3C HEC A 69 1.462 5.018 -3.617 1.00 0.00 C HETATM 1027 C4C HEC A 69 2.814 5.429 -3.294 1.00 0.00 C HETATM 1028 CMC HEC A 69 -0.037 5.267 -5.721 1.00 0.00 C HETATM 1029 CAC HEC A 69 0.444 4.426 -2.648 1.00 0.00 C HETATM 1030 CBC HEC A 69 0.095 2.971 -2.945 1.00 0.00 C HETATM 1031 ND HEC A 69 5.508 6.387 -2.522 1.00 0.00 N HETATM 1032 C1D HEC A 69 4.674 5.619 -1.773 1.00 0.00 C HETATM 1033 C2D HEC A 69 5.338 5.313 -0.528 1.00 0.00 C HETATM 1034 C3D HEC A 69 6.604 5.859 -0.600 1.00 0.00 C HETATM 1035 C4D HEC A 69 6.673 6.571 -1.856 1.00 0.00 C HETATM 1036 CMD HEC A 69 4.737 4.496 0.594 1.00 0.00 C HETATM 1037 CAD HEC A 69 7.789 5.659 0.332 1.00 0.00 C HETATM 1038 CBD HEC A 69 7.761 4.412 1.219 1.00 0.00 C HETATM 1039 CGD HEC A 69 9.169 3.902 1.527 1.00 0.00 C HETATM 1040 O1D HEC A 69 9.449 2.734 1.189 1.00 0.00 O HETATM 1041 O2D HEC A 69 9.962 4.718 2.051 1.00 0.00 O HETATM 0 HMD3 HEC A 69 3.828 4.980 0.950 1.00 0.00 H new HETATM 0 HMD2 HEC A 69 4.497 3.497 0.229 1.00 0.00 H new HETATM 0 HMD1 HEC A 69 5.453 4.421 1.413 1.00 0.00 H new HETATM 0 HMC3 HEC A 69 -0.431 6.262 -5.928 1.00 0.00 H new HETATM 0 HMC2 HEC A 69 0.165 4.754 -6.661 1.00 0.00 H new HETATM 0 HMC1 HEC A 69 -0.769 4.698 -5.148 1.00 0.00 H new HETATM 0 HMB3 HEC A 69 5.211 11.090 -8.657 1.00 0.00 H new HETATM 0 HMB2 HEC A 69 6.134 9.829 -9.508 1.00 0.00 H new HETATM 0 HMB1 HEC A 69 4.434 10.133 -9.940 1.00 0.00 H new HETATM 0 HMA3 HEC A 69 9.647 11.238 -5.251 1.00 0.00 H new HETATM 0 HMA2 HEC A 69 10.276 9.865 -6.193 1.00 0.00 H new HETATM 0 HMA1 HEC A 69 8.799 10.705 -6.721 1.00 0.00 H new HETATM 0 HBD2 HEC A 69 7.245 4.641 2.152 1.00 0.00 H new HETATM 0 HBD1 HEC A 69 7.190 3.626 0.724 1.00 0.00 H new HETATM 0 HBC3 HEC A 69 -0.327 2.895 -3.947 1.00 0.00 H new HETATM 0 HBC2 HEC A 69 0.996 2.361 -2.884 1.00 0.00 H new HETATM 0 HBC1 HEC A 69 -0.634 2.616 -2.217 1.00 0.00 H new HETATM 0 HBB3 HEC A 69 3.227 9.802 -10.565 1.00 0.00 H new HETATM 0 HBB2 HEC A 69 2.909 8.083 -10.899 1.00 0.00 H new HETATM 0 HBB1 HEC A 69 1.566 9.250 -10.884 1.00 0.00 H new HETATM 0 HBA2 HEC A 69 11.323 7.723 -4.496 1.00 0.00 H new HETATM 0 HBA1 HEC A 69 12.273 8.304 -3.143 1.00 0.00 H new HETATM 0 HAD2 HEC A 69 8.696 5.627 -0.272 1.00 0.00 H new HETATM 0 HAD1 HEC A 69 7.866 6.534 0.977 1.00 0.00 H new HETATM 0 HAA2 HEC A 69 10.648 9.998 -3.486 1.00 0.00 H new HETATM 0 HAA1 HEC A 69 10.064 9.108 -2.094 1.00 0.00 H new HETATM 0 HHD HEC A 69 2.863 4.594 -1.335 1.00 0.00 H new HETATM 0 HHC HEC A 69 1.722 6.470 -7.350 1.00 0.00 H new HETATM 0 HHB HEC A 69 6.921 10.195 -7.020 1.00 0.00 H new HETATM 0 HHA HEC A 69 8.662 7.282 -1.626 1.00 0.00 H new HETATM 0 H2D HEC A 69 10.755 4.242 2.376 1.00 0.00 H new HETATM 0 H2A HEC A 69 10.649 5.929 -1.005 1.00 0.00 H new HETATM 1074 FE HEC A 70 -2.762 -1.802 -3.004 1.00 0.00 FE HETATM 1075 CHA HEC A 70 -3.457 -4.253 -5.306 1.00 0.00 C HETATM 1076 CHB HEC A 70 -0.317 -3.759 -1.621 1.00 0.00 C HETATM 1077 CHC HEC A 70 -2.073 0.669 -0.669 1.00 0.00 C HETATM 1078 CHD HEC A 70 -5.297 0.103 -4.260 1.00 0.00 C HETATM 1079 NA HEC A 70 -2.068 -3.649 -3.357 1.00 0.00 N HETATM 1080 C1A HEC A 70 -2.489 -4.480 -4.355 1.00 0.00 C HETATM 1081 C2A HEC A 70 -1.681 -5.674 -4.323 1.00 0.00 C HETATM 1082 C3A HEC A 70 -0.769 -5.514 -3.309 1.00 0.00 C HETATM 1083 C4A HEC A 70 -1.045 -4.243 -2.684 1.00 0.00 C HETATM 1084 CMA HEC A 70 0.399 -6.413 -2.991 1.00 0.00 C HETATM 1085 CAA HEC A 70 -1.782 -6.834 -5.288 1.00 0.00 C HETATM 1086 CBA HEC A 70 -1.111 -6.554 -6.638 1.00 0.00 C HETATM 1087 CGA HEC A 70 -1.575 -7.550 -7.707 1.00 0.00 C HETATM 1088 O1A HEC A 70 -2.797 -7.545 -7.981 1.00 0.00 O HETATM 1089 O2A HEC A 70 -0.718 -8.311 -8.207 1.00 0.00 O HETATM 1090 NB HEC A 70 -1.398 -1.546 -1.520 1.00 0.00 N HETATM 1091 C1B HEC A 70 -0.511 -2.497 -1.122 1.00 0.00 C HETATM 1092 C2B HEC A 70 0.221 -1.996 0.015 1.00 0.00 C HETATM 1093 C3B HEC A 70 -0.257 -0.733 0.284 1.00 0.00 C HETATM 1094 C4B HEC A 70 -1.282 -0.457 -0.698 1.00 0.00 C HETATM 1095 CMB HEC A 70 1.196 -2.806 0.839 1.00 0.00 C HETATM 1096 CAB HEC A 70 0.162 0.169 1.430 1.00 0.00 C HETATM 1097 CBB HEC A 70 1.588 0.703 1.256 1.00 0.00 C HETATM 1098 NC HEC A 70 -3.512 0.027 -2.567 1.00 0.00 N HETATM 1099 C1C HEC A 70 -3.094 0.863 -1.572 1.00 0.00 C HETATM 1100 C2C HEC A 70 -3.917 2.048 -1.603 1.00 0.00 C HETATM 1101 C3C HEC A 70 -4.891 1.839 -2.551 1.00 0.00 C HETATM 1102 C4C HEC A 70 -4.568 0.594 -3.209 1.00 0.00 C HETATM 1103 CMC HEC A 70 -3.748 3.284 -0.746 1.00 0.00 C HETATM 1104 CAC HEC A 70 -6.228 2.562 -2.642 1.00 0.00 C HETATM 1105 CBC HEC A 70 -6.204 3.931 -3.315 1.00 0.00 C HETATM 1106 ND HEC A 70 -4.147 -2.055 -4.463 1.00 0.00 N HETATM 1107 C1D HEC A 70 -5.038 -1.107 -4.847 1.00 0.00 C HETATM 1108 C2D HEC A 70 -5.750 -1.601 -6.002 1.00 0.00 C HETATM 1109 C3D HEC A 70 -5.118 -2.759 -6.384 1.00 0.00 C HETATM 1110 C4D HEC A 70 -4.197 -3.099 -5.328 1.00 0.00 C HETATM 1111 CMD HEC A 70 -6.895 -0.929 -6.732 1.00 0.00 C HETATM 1112 CAD HEC A 70 -5.119 -3.362 -7.772 1.00 0.00 C HETATM 1113 CBD HEC A 70 -3.770 -3.202 -8.506 1.00 0.00 C HETATM 1114 CGD HEC A 70 -3.225 -1.764 -8.533 1.00 0.00 C HETATM 1115 O1D HEC A 70 -1.988 -1.605 -8.663 1.00 0.00 O HETATM 1116 O2D HEC A 70 -4.058 -0.836 -8.449 1.00 0.00 O HETATM 0 HMD3 HEC A 70 -7.729 -0.783 -6.045 1.00 0.00 H new HETATM 0 HMD2 HEC A 70 -6.566 0.038 -7.113 1.00 0.00 H new HETATM 0 HMD1 HEC A 70 -7.215 -1.557 -7.563 1.00 0.00 H new HETATM 0 HMC3 HEC A 70 -3.835 3.012 0.306 1.00 0.00 H new HETATM 0 HMC2 HEC A 70 -2.766 3.722 -0.928 1.00 0.00 H new HETATM 0 HMC1 HEC A 70 -4.521 4.010 -0.998 1.00 0.00 H new HETATM 0 HMB3 HEC A 70 0.680 -3.661 1.276 1.00 0.00 H new HETATM 0 HMB2 HEC A 70 2.006 -3.158 0.201 1.00 0.00 H new HETATM 0 HMB1 HEC A 70 1.605 -2.183 1.635 1.00 0.00 H new HETATM 0 HMA3 HEC A 70 0.036 -7.416 -2.766 1.00 0.00 H new HETATM 0 HMA2 HEC A 70 1.070 -6.454 -3.849 1.00 0.00 H new HETATM 0 HMA1 HEC A 70 0.936 -6.020 -2.128 1.00 0.00 H new HETATM 0 HBD2 HEC A 70 -3.033 -3.848 -8.029 1.00 0.00 H new HETATM 0 HBD1 HEC A 70 -3.885 -3.553 -9.532 1.00 0.00 H new HETATM 0 HBC3 HEC A 70 -5.538 4.595 -2.764 1.00 0.00 H new HETATM 0 HBC2 HEC A 70 -5.847 3.827 -4.339 1.00 0.00 H new HETATM 0 HBC1 HEC A 70 -7.210 4.350 -3.323 1.00 0.00 H new HETATM 0 HBB3 HEC A 70 2.286 -0.133 1.211 1.00 0.00 H new HETATM 0 HBB2 HEC A 70 1.651 1.279 0.333 1.00 0.00 H new HETATM 0 HBB1 HEC A 70 1.842 1.343 2.101 1.00 0.00 H new HETATM 0 HBA2 HEC A 70 -1.343 -5.538 -6.959 1.00 0.00 H new HETATM 0 HBA1 HEC A 70 -0.028 -6.613 -6.528 1.00 0.00 H new HETATM 0 HAD2 HEC A 70 -5.363 -4.422 -7.700 1.00 0.00 H new HETATM 0 HAD1 HEC A 70 -5.905 -2.893 -8.364 1.00 0.00 H new HETATM 0 HAA2 HEC A 70 -1.324 -7.715 -4.837 1.00 0.00 H new HETATM 0 HAA1 HEC A 70 -2.833 -7.071 -5.454 1.00 0.00 H new HETATM 0 HHD HEC A 70 -6.121 0.703 -4.647 1.00 0.00 H new HETATM 0 HHC HEC A 70 -1.886 1.428 0.090 1.00 0.00 H new HETATM 0 HHB HEC A 70 0.437 -4.399 -1.162 1.00 0.00 H new HETATM 0 HHA HEC A 70 -3.641 -5.014 -6.065 1.00 0.00 H new HETATM 0 H2D HEC A 70 -3.638 -0.056 -8.030 1.00 0.00 H new HETATM 0 H2A HEC A 70 -1.149 -8.911 -8.851 1.00 0.00 H new HETATM 1149 FE HEC A 71 0.764 -6.780 7.895 1.00 0.00 FE HETATM 1150 CHA HEC A 71 3.277 -4.960 9.148 1.00 0.00 C HETATM 1151 CHB HEC A 71 0.880 -8.958 10.557 1.00 0.00 C HETATM 1152 CHC HEC A 71 -1.851 -8.607 6.602 1.00 0.00 C HETATM 1153 CHD HEC A 71 0.607 -4.760 5.095 1.00 0.00 C HETATM 1154 NA HEC A 71 1.852 -6.933 9.523 1.00 0.00 N HETATM 1155 C1A HEC A 71 2.838 -6.054 9.844 1.00 0.00 C HETATM 1156 C2A HEC A 71 3.456 -6.505 11.071 1.00 0.00 C HETATM 1157 C3A HEC A 71 2.715 -7.567 11.523 1.00 0.00 C HETATM 1158 C4A HEC A 71 1.747 -7.883 10.493 1.00 0.00 C HETATM 1159 CMA HEC A 71 2.895 -8.228 12.872 1.00 0.00 C HETATM 1160 CAA HEC A 71 4.743 -5.998 11.696 1.00 0.00 C HETATM 1161 CBA HEC A 71 5.983 -6.187 10.802 1.00 0.00 C HETATM 1162 CGA HEC A 71 7.282 -6.389 11.594 1.00 0.00 C HETATM 1163 O1A HEC A 71 8.096 -7.240 11.157 1.00 0.00 O HETATM 1164 O2A HEC A 71 7.429 -5.705 12.632 1.00 0.00 O HETATM 1165 NB HEC A 71 -0.248 -8.495 8.431 1.00 0.00 N HETATM 1166 C1B HEC A 71 -0.043 -9.198 9.568 1.00 0.00 C HETATM 1167 C2B HEC A 71 -1.018 -10.265 9.626 1.00 0.00 C HETATM 1168 C3B HEC A 71 -1.886 -10.084 8.574 1.00 0.00 C HETATM 1169 C4B HEC A 71 -1.307 -9.026 7.774 1.00 0.00 C HETATM 1170 CMB HEC A 71 -1.089 -11.345 10.680 1.00 0.00 C HETATM 1171 CAB HEC A 71 -3.353 -10.525 8.503 1.00 0.00 C HETATM 1172 CBB HEC A 71 -4.114 -10.191 9.790 1.00 0.00 C HETATM 1173 NC HEC A 71 -0.402 -6.694 6.209 1.00 0.00 N HETATM 1174 C1C HEC A 71 -1.390 -7.543 5.904 1.00 0.00 C HETATM 1175 C2C HEC A 71 -1.936 -7.209 4.616 1.00 0.00 C HETATM 1176 C3C HEC A 71 -1.315 -6.054 4.210 1.00 0.00 C HETATM 1177 C4C HEC A 71 -0.291 -5.782 5.201 1.00 0.00 C HETATM 1178 CMC HEC A 71 -2.906 -8.078 3.845 1.00 0.00 C HETATM 1179 CAC HEC A 71 -1.603 -5.258 2.946 1.00 0.00 C HETATM 1180 CBC HEC A 71 -3.063 -4.813 2.793 1.00 0.00 C HETATM 1181 ND HEC A 71 1.734 -5.146 7.261 1.00 0.00 N HETATM 1182 C1D HEC A 71 1.527 -4.514 6.075 1.00 0.00 C HETATM 1183 C2D HEC A 71 2.465 -3.436 5.978 1.00 0.00 C HETATM 1184 C3D HEC A 71 3.278 -3.492 7.080 1.00 0.00 C HETATM 1185 C4D HEC A 71 2.757 -4.548 7.934 1.00 0.00 C HETATM 1186 CMD HEC A 71 2.544 -2.444 4.844 1.00 0.00 C HETATM 1187 CAD HEC A 71 4.544 -2.672 7.190 1.00 0.00 C HETATM 1188 CBD HEC A 71 5.616 -3.140 8.164 1.00 0.00 C HETATM 1189 CGD HEC A 71 6.874 -2.317 8.007 1.00 0.00 C HETATM 1190 O1D HEC A 71 6.955 -1.316 8.759 1.00 0.00 O HETATM 1191 O2D HEC A 71 7.684 -2.718 7.141 1.00 0.00 O HETATM 0 HMD3 HEC A 71 2.738 -2.973 3.911 1.00 0.00 H new HETATM 0 HMD2 HEC A 71 1.600 -1.905 4.766 1.00 0.00 H new HETATM 0 HMD1 HEC A 71 3.351 -1.736 5.035 1.00 0.00 H new HETATM 0 HMC3 HEC A 71 -2.446 -9.045 3.642 1.00 0.00 H new HETATM 0 HMC2 HEC A 71 -3.812 -8.223 4.434 1.00 0.00 H new HETATM 0 HMC1 HEC A 71 -3.160 -7.592 2.903 1.00 0.00 H new HETATM 0 HMB3 HEC A 71 -0.162 -11.918 10.677 1.00 0.00 H new HETATM 0 HMB2 HEC A 71 -1.230 -10.889 11.660 1.00 0.00 H new HETATM 0 HMB1 HEC A 71 -1.927 -12.009 10.465 1.00 0.00 H new HETATM 0 HMA3 HEC A 71 3.908 -8.622 12.952 1.00 0.00 H new HETATM 0 HMA2 HEC A 71 2.727 -7.495 13.661 1.00 0.00 H new HETATM 0 HMA1 HEC A 71 2.180 -9.044 12.976 1.00 0.00 H new HETATM 0 HBD2 HEC A 71 5.247 -3.058 9.186 1.00 0.00 H new HETATM 0 HBD1 HEC A 71 5.839 -4.192 7.989 1.00 0.00 H new HETATM 0 HBC3 HEC A 71 -3.710 -5.690 2.769 1.00 0.00 H new HETATM 0 HBC2 HEC A 71 -3.341 -4.180 3.636 1.00 0.00 H new HETATM 0 HBC1 HEC A 71 -3.177 -4.252 1.865 1.00 0.00 H new HETATM 0 HBB3 HEC A 71 -3.646 -10.700 10.632 1.00 0.00 H new HETATM 0 HBB2 HEC A 71 -4.090 -9.114 9.958 1.00 0.00 H new HETATM 0 HBB1 HEC A 71 -5.149 -10.520 9.697 1.00 0.00 H new HETATM 0 HBA2 HEC A 71 5.825 -7.048 10.152 1.00 0.00 H new HETATM 0 HBA1 HEC A 71 6.092 -5.316 10.156 1.00 0.00 H new HETATM 0 HAD2 HEC A 71 4.994 -2.618 6.199 1.00 0.00 H new HETATM 0 HAD1 HEC A 71 4.261 -1.657 7.467 1.00 0.00 H new HETATM 0 HAA2 HEC A 71 4.631 -4.939 11.927 1.00 0.00 H new HETATM 0 HAA1 HEC A 71 4.906 -6.515 12.641 1.00 0.00 H new HETATM 0 HHD HEC A 71 0.590 -4.126 4.209 1.00 0.00 H new HETATM 0 HHC HEC A 71 -2.703 -9.156 6.203 1.00 0.00 H new HETATM 0 HHB HEC A 71 0.930 -9.631 11.413 1.00 0.00 H new HETATM 0 HHA HEC A 71 4.090 -4.375 9.579 1.00 0.00 H new HETATM 0 H2D HEC A 71 8.599 -2.619 7.478 1.00 0.00 H new HETATM 0 H2A HEC A 71 8.281 -5.936 13.058 1.00 0.00 H new