USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=22 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= 0.99 (180deg=0) USER MOD Set 1.2: A 69 HEC O2D : rot 126:sc= 0.544 USER MOD Set 2.1: A 41 LYS NZ :NH3+ 162:sc= 1.07 (180deg=0) USER MOD Set 2.2: A 71 HEC O2A : rot 109:sc= 0.777 USER MOD Set 3.1: A 23 LYS NZ :NH3+ 152:sc= 1.05 (180deg=0) USER MOD Set 3.2: A 70 HEC O2D : rot 128:sc= 1.09 USER MOD Single : A 1 ALA N :NH3+ -176:sc= 1.2 (180deg=1.14) USER MOD Single : A 5 THR OG1 : rot 49:sc= 1.56 USER MOD Single : A 6 TYR OH : rot 68:sc= 0.732 USER MOD Single : A 8 ASN : amide:sc= -0.936 K(o=-0.94,f=-5.5!) USER MOD Single : A 9 LYS NZ :NH3+ -174:sc= 1.17 (180deg=1.01) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.8 K(o=-1.8,f=-0.36) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 178:sc= 1.28 (180deg=1.14) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 91:sc= 1.27 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -171:sc= 2.15 (180deg=2.12) USER MOD Single : A 51 THR OG1 : rot -139:sc= 1.14 USER MOD Single : A 54 LYS NZ :NH3+ -169:sc= -0.0205 (180deg=-0.136) USER MOD Single : A 55 SER OG : rot -43:sc= 0.681 USER MOD Single : A 56 ASN : amide:sc= -0.641 K(o=-0.64,f=-3!) USER MOD Single : A 57 ASN : amide:sc= 0.155 K(o=0.15,f=-4.9!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.16 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HEC O2A : rot 174:sc= 0 USER MOD Single : A 70 HEC O2A : rot 168:sc= 0 USER MOD Single : A 71 HEC O2D : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.174 0.301 -13.404 1.00 0.00 N ATOM 2 CA ALA A 1 11.444 0.275 -11.951 1.00 0.00 C ATOM 3 C ALA A 1 10.137 0.513 -11.199 1.00 0.00 C ATOM 4 O ALA A 1 9.950 1.522 -10.530 1.00 0.00 O ATOM 5 CB ALA A 1 12.530 1.286 -11.562 1.00 0.00 C ATOM 0 H1 ALA A 1 12.046 0.072 -13.923 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.441 -0.400 -13.633 1.00 0.00 H new ATOM 0 H3 ALA A 1 10.846 1.249 -13.679 1.00 0.00 H new ATOM 0 HA ALA A 1 11.833 -0.704 -11.672 1.00 0.00 H new ATOM 0 HB1 ALA A 1 12.702 1.239 -10.487 1.00 0.00 H new ATOM 0 HB2 ALA A 1 13.454 1.048 -12.088 1.00 0.00 H new ATOM 0 HB3 ALA A 1 12.206 2.291 -11.834 1.00 0.00 H new ATOM 13 N ASP A 2 9.209 -0.410 -11.423 1.00 0.00 N ATOM 14 CA ASP A 2 7.786 -0.204 -11.328 1.00 0.00 C ATOM 15 C ASP A 2 7.286 -0.464 -9.917 1.00 0.00 C ATOM 16 O ASP A 2 6.361 0.206 -9.468 1.00 0.00 O ATOM 17 CB ASP A 2 7.168 -1.177 -12.348 1.00 0.00 C ATOM 18 CG ASP A 2 7.685 -0.948 -13.769 1.00 0.00 C ATOM 19 OD1 ASP A 2 8.932 -1.020 -13.929 1.00 0.00 O ATOM 20 OD2 ASP A 2 6.850 -0.677 -14.656 1.00 0.00 O ATOM 0 H ASP A 2 9.450 -1.365 -11.688 1.00 0.00 H new ATOM 0 HA ASP A 2 7.506 0.827 -11.546 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.388 -2.201 -12.046 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.084 -1.067 -12.338 1.00 0.00 H new ATOM 25 N VAL A 3 7.906 -1.438 -9.245 1.00 0.00 N ATOM 26 CA VAL A 3 7.473 -2.027 -7.989 1.00 0.00 C ATOM 27 C VAL A 3 8.515 -1.806 -6.896 1.00 0.00 C ATOM 28 O VAL A 3 9.710 -1.743 -7.184 1.00 0.00 O ATOM 29 CB VAL A 3 7.147 -3.520 -8.237 1.00 0.00 C ATOM 30 CG1 VAL A 3 8.285 -4.263 -8.956 1.00 0.00 C ATOM 31 CG2 VAL A 3 6.812 -4.303 -6.961 1.00 0.00 C ATOM 0 H VAL A 3 8.771 -1.855 -9.588 1.00 0.00 H new ATOM 0 HA VAL A 3 6.568 -1.540 -7.627 1.00 0.00 H new ATOM 0 HB VAL A 3 6.261 -3.485 -8.871 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.003 -5.305 -9.104 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.470 -3.796 -9.923 1.00 0.00 H new ATOM 0 HG13 VAL A 3 9.190 -4.215 -8.351 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.595 -5.340 -7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.661 -4.267 -6.279 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.941 -3.859 -6.479 1.00 0.00 H new ATOM 41 N VAL A 4 8.054 -1.682 -5.648 1.00 0.00 N ATOM 42 CA VAL A 4 8.888 -1.540 -4.464 1.00 0.00 C ATOM 43 C VAL A 4 8.489 -2.636 -3.481 1.00 0.00 C ATOM 44 O VAL A 4 7.420 -3.240 -3.600 1.00 0.00 O ATOM 45 CB VAL A 4 8.708 -0.128 -3.874 1.00 0.00 C ATOM 46 CG1 VAL A 4 9.386 0.058 -2.507 1.00 0.00 C ATOM 47 CG2 VAL A 4 9.304 0.913 -4.824 1.00 0.00 C ATOM 0 H VAL A 4 7.057 -1.678 -5.433 1.00 0.00 H new ATOM 0 HA VAL A 4 9.946 -1.651 -4.702 1.00 0.00 H new ATOM 0 HB VAL A 4 7.634 0.002 -3.744 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.218 1.075 -2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.965 -0.649 -1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.457 -0.120 -2.605 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.173 1.909 -4.401 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.367 0.714 -4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.797 0.859 -5.787 1.00 0.00 H new ATOM 57 N THR A 5 9.344 -2.873 -2.484 1.00 0.00 N ATOM 58 CA THR A 5 8.885 -3.403 -1.225 1.00 0.00 C ATOM 59 C THR A 5 9.384 -2.555 -0.068 1.00 0.00 C ATOM 60 O THR A 5 10.460 -1.966 -0.134 1.00 0.00 O ATOM 61 CB THR A 5 9.304 -4.872 -1.059 1.00 0.00 C ATOM 62 OG1 THR A 5 8.803 -5.323 0.178 1.00 0.00 O ATOM 63 CG2 THR A 5 10.820 -5.088 -1.091 1.00 0.00 C ATOM 0 H THR A 5 10.349 -2.704 -2.535 1.00 0.00 H new ATOM 0 HA THR A 5 7.796 -3.368 -1.220 1.00 0.00 H new ATOM 0 HB THR A 5 8.897 -5.429 -1.903 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.857 -5.081 0.256 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.039 -6.149 -0.968 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.216 -4.744 -2.046 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.285 -4.525 -0.282 1.00 0.00 H new ATOM 71 N TYR A 6 8.573 -2.538 0.989 1.00 0.00 N ATOM 72 CA TYR A 6 8.947 -2.024 2.293 1.00 0.00 C ATOM 73 C TYR A 6 10.069 -2.865 2.912 1.00 0.00 C ATOM 74 O TYR A 6 10.849 -2.342 3.702 1.00 0.00 O ATOM 75 CB TYR A 6 7.706 -2.003 3.200 1.00 0.00 C ATOM 76 CG TYR A 6 6.561 -1.147 2.683 1.00 0.00 C ATOM 77 CD1 TYR A 6 6.796 0.154 2.200 1.00 0.00 C ATOM 78 CD2 TYR A 6 5.280 -1.707 2.542 1.00 0.00 C ATOM 79 CE1 TYR A 6 5.800 0.811 1.461 1.00 0.00 C ATOM 80 CE2 TYR A 6 4.292 -1.048 1.795 1.00 0.00 C ATOM 81 CZ TYR A 6 4.558 0.206 1.239 1.00 0.00 C ATOM 82 OH TYR A 6 3.700 0.722 0.317 1.00 0.00 O ATOM 0 H TYR A 6 7.617 -2.891 0.955 1.00 0.00 H new ATOM 0 HA TYR A 6 9.327 -1.008 2.185 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.349 -3.025 3.330 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.998 -1.640 4.185 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.738 0.644 2.397 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.054 -2.652 3.013 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.994 1.794 1.059 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.327 -1.510 1.650 1.00 0.00 H new ATOM 0 HH TYR A 6 4.070 0.594 -0.582 1.00 0.00 H new ATOM 92 N GLU A 7 10.101 -4.162 2.564 1.00 0.00 N ATOM 93 CA GLU A 7 10.739 -5.256 3.286 1.00 0.00 C ATOM 94 C GLU A 7 10.325 -5.330 4.763 1.00 0.00 C ATOM 95 O GLU A 7 9.892 -4.352 5.362 1.00 0.00 O ATOM 96 CB GLU A 7 12.249 -5.391 3.014 1.00 0.00 C ATOM 97 CG GLU A 7 13.171 -4.466 3.816 1.00 0.00 C ATOM 98 CD GLU A 7 14.622 -4.904 3.664 1.00 0.00 C ATOM 99 OE1 GLU A 7 15.243 -4.491 2.662 1.00 0.00 O ATOM 100 OE2 GLU A 7 15.068 -5.680 4.538 1.00 0.00 O ATOM 0 H GLU A 7 9.648 -4.488 1.710 1.00 0.00 H new ATOM 0 HA GLU A 7 10.332 -6.171 2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.541 -6.422 3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 7 12.423 -5.210 1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.056 -3.439 3.471 1.00 0.00 H new ATOM 0 HG3 GLU A 7 12.888 -4.482 4.868 1.00 0.00 H new ATOM 107 N ASN A 8 10.365 -6.532 5.342 1.00 0.00 N ATOM 108 CA ASN A 8 9.905 -6.779 6.706 1.00 0.00 C ATOM 109 C ASN A 8 10.478 -8.082 7.228 1.00 0.00 C ATOM 110 O ASN A 8 10.667 -9.024 6.460 1.00 0.00 O ATOM 111 CB ASN A 8 8.386 -6.962 6.748 1.00 0.00 C ATOM 112 CG ASN A 8 7.603 -5.683 6.553 1.00 0.00 C ATOM 113 OD1 ASN A 8 7.733 -4.773 7.357 1.00 0.00 O ATOM 114 ND2 ASN A 8 6.759 -5.641 5.525 1.00 0.00 N ATOM 0 H ASN A 8 10.720 -7.365 4.873 1.00 0.00 H new ATOM 0 HA ASN A 8 10.222 -5.922 7.301 1.00 0.00 H new ATOM 0 HB2 ASN A 8 8.095 -7.674 5.976 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.110 -7.401 7.707 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.177 -4.817 5.376 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.694 -6.433 4.886 1.00 0.00 H new ATOM 121 N LYS A 9 10.610 -8.160 8.555 1.00 0.00 N ATOM 122 CA LYS A 9 10.829 -9.407 9.272 1.00 0.00 C ATOM 123 C LYS A 9 9.579 -10.296 9.183 1.00 0.00 C ATOM 124 O LYS A 9 9.676 -11.514 9.075 1.00 0.00 O ATOM 125 CB LYS A 9 11.234 -9.087 10.722 1.00 0.00 C ATOM 126 CG LYS A 9 10.086 -8.533 11.584 1.00 0.00 C ATOM 127 CD LYS A 9 10.572 -8.009 12.942 1.00 0.00 C ATOM 128 CE LYS A 9 11.370 -6.700 12.802 1.00 0.00 C ATOM 129 NZ LYS A 9 10.907 -5.673 13.757 1.00 0.00 N ATOM 0 H LYS A 9 10.566 -7.344 9.165 1.00 0.00 H new ATOM 0 HA LYS A 9 11.643 -9.972 8.817 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.621 -9.993 11.189 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.048 -8.362 10.710 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.587 -7.728 11.045 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.345 -9.316 11.744 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.715 -7.843 13.595 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.195 -8.764 13.420 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.429 -6.900 12.967 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.272 -6.321 11.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.396 -4.775 13.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.881 -5.538 13.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.117 -5.982 14.728 1.00 0.00 H new ATOM 143 N LYS A 10 8.394 -9.674 9.247 1.00 0.00 N ATOM 144 CA LYS A 10 7.098 -10.337 9.177 1.00 0.00 C ATOM 145 C LYS A 10 6.943 -11.096 7.857 1.00 0.00 C ATOM 146 O LYS A 10 6.569 -12.266 7.841 1.00 0.00 O ATOM 147 CB LYS A 10 6.002 -9.266 9.355 1.00 0.00 C ATOM 148 CG LYS A 10 4.562 -9.714 9.047 1.00 0.00 C ATOM 149 CD LYS A 10 4.113 -11.012 9.739 1.00 0.00 C ATOM 150 CE LYS A 10 4.206 -10.941 11.269 1.00 0.00 C ATOM 151 NZ LYS A 10 3.933 -12.248 11.901 1.00 0.00 N ATOM 0 H LYS A 10 8.316 -8.662 9.352 1.00 0.00 H new ATOM 0 HA LYS A 10 7.010 -11.079 9.971 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.037 -8.907 10.383 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.243 -8.419 8.713 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.881 -8.914 9.336 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.462 -9.844 7.969 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.084 -11.232 9.453 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.727 -11.839 9.381 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.201 -10.600 11.556 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.496 -10.203 11.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.006 -12.156 12.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.974 -12.562 11.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.626 -12.947 11.566 1.00 0.00 H new ATOM 165 N GLY A 11 7.169 -10.389 6.753 1.00 0.00 N ATOM 166 CA GLY A 11 6.926 -10.872 5.408 1.00 0.00 C ATOM 167 C GLY A 11 6.949 -9.657 4.496 1.00 0.00 C ATOM 168 O GLY A 11 6.238 -8.679 4.759 1.00 0.00 O ATOM 0 H GLY A 11 7.537 -9.438 6.776 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.689 -11.592 5.112 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.965 -11.383 5.348 1.00 0.00 H new ATOM 172 N ASN A 12 7.817 -9.672 3.482 1.00 0.00 N ATOM 173 CA ASN A 12 7.980 -8.527 2.596 1.00 0.00 C ATOM 174 C ASN A 12 6.638 -8.209 1.945 1.00 0.00 C ATOM 175 O ASN A 12 5.889 -9.110 1.560 1.00 0.00 O ATOM 176 CB ASN A 12 9.037 -8.788 1.513 1.00 0.00 C ATOM 177 CG ASN A 12 10.488 -8.677 1.982 1.00 0.00 C ATOM 178 OD1 ASN A 12 11.365 -8.357 1.189 1.00 0.00 O ATOM 179 ND2 ASN A 12 10.776 -8.918 3.260 1.00 0.00 N ATOM 0 H ASN A 12 8.416 -10.467 3.257 1.00 0.00 H new ATOM 0 HA ASN A 12 8.324 -7.680 3.190 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.879 -9.787 1.106 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.880 -8.083 0.697 1.00 0.00 H new ATOM 0 HD21 ASN A 12 11.738 -8.837 3.590 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.035 -9.184 3.909 1.00 0.00 H new ATOM 186 N VAL A 13 6.345 -6.914 1.855 1.00 0.00 N ATOM 187 CA VAL A 13 5.164 -6.393 1.202 1.00 0.00 C ATOM 188 C VAL A 13 5.611 -5.876 -0.153 1.00 0.00 C ATOM 189 O VAL A 13 6.182 -4.788 -0.223 1.00 0.00 O ATOM 190 CB VAL A 13 4.587 -5.255 2.047 1.00 0.00 C ATOM 191 CG1 VAL A 13 3.535 -4.482 1.240 1.00 0.00 C ATOM 192 CG2 VAL A 13 3.979 -5.789 3.345 1.00 0.00 C ATOM 0 H VAL A 13 6.942 -6.186 2.247 1.00 0.00 H new ATOM 0 HA VAL A 13 4.393 -7.154 1.086 1.00 0.00 H new ATOM 0 HB VAL A 13 5.399 -4.577 2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.130 -3.674 1.850 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.997 -4.065 0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.730 -5.157 0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.576 -4.960 3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.178 -6.490 3.110 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.749 -6.298 3.925 1.00 0.00 H new ATOM 202 N THR A 14 5.379 -6.639 -1.217 1.00 0.00 N ATOM 203 CA THR A 14 5.573 -6.110 -2.553 1.00 0.00 C ATOM 204 C THR A 14 4.386 -5.191 -2.838 1.00 0.00 C ATOM 205 O THR A 14 3.247 -5.556 -2.549 1.00 0.00 O ATOM 206 CB THR A 14 5.756 -7.247 -3.572 1.00 0.00 C ATOM 207 OG1 THR A 14 6.088 -6.715 -4.837 1.00 0.00 O ATOM 208 CG2 THR A 14 4.531 -8.156 -3.729 1.00 0.00 C ATOM 0 H THR A 14 5.062 -7.608 -1.178 1.00 0.00 H new ATOM 0 HA THR A 14 6.490 -5.527 -2.637 1.00 0.00 H new ATOM 0 HB THR A 14 6.562 -7.865 -3.176 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.204 -7.446 -5.479 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.745 -8.930 -4.466 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.298 -8.621 -2.771 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.679 -7.564 -4.062 1.00 0.00 H new ATOM 216 N PHE A 15 4.640 -3.983 -3.338 1.00 0.00 N ATOM 217 CA PHE A 15 3.594 -3.088 -3.796 1.00 0.00 C ATOM 218 C PHE A 15 4.087 -2.453 -5.087 1.00 0.00 C ATOM 219 O PHE A 15 5.176 -1.874 -5.134 1.00 0.00 O ATOM 220 CB PHE A 15 3.229 -2.058 -2.718 1.00 0.00 C ATOM 221 CG PHE A 15 4.279 -1.011 -2.434 1.00 0.00 C ATOM 222 CD1 PHE A 15 5.369 -1.334 -1.611 1.00 0.00 C ATOM 223 CD2 PHE A 15 4.162 0.282 -2.982 1.00 0.00 C ATOM 224 CE1 PHE A 15 6.307 -0.346 -1.283 1.00 0.00 C ATOM 225 CE2 PHE A 15 5.094 1.276 -2.639 1.00 0.00 C ATOM 226 CZ PHE A 15 6.144 0.966 -1.759 1.00 0.00 C ATOM 0 H PHE A 15 5.581 -3.602 -3.435 1.00 0.00 H new ATOM 0 HA PHE A 15 2.668 -3.629 -3.990 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.311 -1.554 -3.019 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.012 -2.590 -1.792 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.484 -2.339 -1.232 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.357 0.509 -3.665 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.156 -0.593 -0.663 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.004 2.271 -3.049 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.829 1.740 -1.447 1.00 0.00 H new ATOM 236 N ASP A 16 3.313 -2.616 -6.160 1.00 0.00 N ATOM 237 CA ASP A 16 3.632 -1.938 -7.398 1.00 0.00 C ATOM 238 C ASP A 16 3.423 -0.435 -7.171 1.00 0.00 C ATOM 239 O ASP A 16 2.577 -0.048 -6.367 1.00 0.00 O ATOM 240 CB ASP A 16 2.851 -2.553 -8.557 1.00 0.00 C ATOM 241 CG ASP A 16 3.406 -2.115 -9.912 1.00 0.00 C ATOM 242 OD1 ASP A 16 3.680 -0.906 -10.067 1.00 0.00 O ATOM 243 OD2 ASP A 16 3.531 -2.990 -10.794 1.00 0.00 O ATOM 0 H ASP A 16 2.478 -3.201 -6.190 1.00 0.00 H new ATOM 0 HA ASP A 16 4.674 -2.068 -7.691 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.888 -3.640 -8.484 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.803 -2.264 -8.483 1.00 0.00 H new ATOM 248 N HIS A 17 4.224 0.409 -7.808 1.00 0.00 N ATOM 249 CA HIS A 17 4.215 1.855 -7.651 1.00 0.00 C ATOM 250 C HIS A 17 3.549 2.424 -8.898 1.00 0.00 C ATOM 251 O HIS A 17 2.480 3.029 -8.846 1.00 0.00 O ATOM 252 CB HIS A 17 5.669 2.350 -7.507 1.00 0.00 C ATOM 253 CG HIS A 17 5.859 3.405 -6.455 1.00 0.00 C ATOM 254 ND1 HIS A 17 6.859 3.414 -5.514 1.00 0.00 N ATOM 255 CD2 HIS A 17 5.122 4.547 -6.295 1.00 0.00 C ATOM 256 CE1 HIS A 17 6.719 4.539 -4.798 1.00 0.00 C ATOM 257 NE2 HIS A 17 5.668 5.259 -5.224 1.00 0.00 N ATOM 0 H HIS A 17 4.926 0.090 -8.475 1.00 0.00 H new ATOM 0 HA HIS A 17 3.670 2.175 -6.763 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.309 1.499 -7.272 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.003 2.745 -8.466 1.00 0.00 H new ATOM 0 HD1 HIS A 17 7.574 2.699 -5.384 1.00 0.00 H new ATOM 0 HD2 HIS A 17 4.271 4.844 -6.890 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.367 4.829 -3.984 1.00 0.00 H new ATOM 265 N LYS A 18 4.205 2.167 -10.027 1.00 0.00 N ATOM 266 CA LYS A 18 3.777 2.448 -11.383 1.00 0.00 C ATOM 267 C LYS A 18 2.320 2.039 -11.585 1.00 0.00 C ATOM 268 O LYS A 18 1.501 2.838 -12.026 1.00 0.00 O ATOM 269 CB LYS A 18 4.757 1.685 -12.279 1.00 0.00 C ATOM 270 CG LYS A 18 4.345 1.425 -13.726 1.00 0.00 C ATOM 271 CD LYS A 18 3.619 0.091 -13.923 1.00 0.00 C ATOM 272 CE LYS A 18 3.493 -0.240 -15.412 1.00 0.00 C ATOM 273 NZ LYS A 18 2.427 -1.231 -15.637 1.00 0.00 N ATOM 0 H LYS A 18 5.122 1.721 -10.009 1.00 0.00 H new ATOM 0 HA LYS A 18 3.798 3.511 -11.625 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.697 2.236 -12.293 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.959 0.722 -11.810 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.698 2.235 -14.063 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.233 1.443 -14.357 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.163 -0.704 -13.413 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.628 0.140 -13.471 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.276 0.668 -15.974 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.441 -0.627 -15.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.335 -1.417 -16.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.665 -2.115 -15.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.527 -0.862 -15.270 1.00 0.00 H new ATOM 287 N ALA A 19 1.992 0.796 -11.258 1.00 0.00 N ATOM 288 CA ALA A 19 0.635 0.282 -11.386 1.00 0.00 C ATOM 289 C ALA A 19 -0.357 1.126 -10.597 1.00 0.00 C ATOM 290 O ALA A 19 -1.311 1.649 -11.163 1.00 0.00 O ATOM 291 CB ALA A 19 0.545 -1.139 -10.872 1.00 0.00 C ATOM 0 H ALA A 19 2.660 0.115 -10.896 1.00 0.00 H new ATOM 0 HA ALA A 19 0.387 0.317 -12.447 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.478 -1.500 -10.978 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.217 -1.777 -11.446 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.831 -1.164 -9.821 1.00 0.00 H new ATOM 297 N HIS A 20 -0.156 1.250 -9.280 1.00 0.00 N ATOM 298 CA HIS A 20 -1.047 2.047 -8.449 1.00 0.00 C ATOM 299 C HIS A 20 -1.154 3.447 -9.061 1.00 0.00 C ATOM 300 O HIS A 20 -2.236 4.020 -9.140 1.00 0.00 O ATOM 301 CB HIS A 20 -0.555 2.079 -6.992 1.00 0.00 C ATOM 302 CG HIS A 20 -0.886 0.843 -6.180 1.00 0.00 C ATOM 303 ND1 HIS A 20 -0.081 -0.257 -6.016 1.00 0.00 N ATOM 304 CD2 HIS A 20 -1.971 0.663 -5.357 1.00 0.00 C ATOM 305 CE1 HIS A 20 -0.669 -1.076 -5.129 1.00 0.00 C ATOM 306 NE2 HIS A 20 -1.831 -0.564 -4.698 1.00 0.00 N ATOM 0 H HIS A 20 0.613 0.809 -8.775 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.041 1.600 -8.422 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.526 2.217 -6.992 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -0.988 2.948 -6.497 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.809 -0.423 -6.486 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.794 1.352 -5.238 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.260 -2.022 -4.806 1.00 0.00 H new ATOM 314 N ALA A 21 -0.039 3.974 -9.564 1.00 0.00 N ATOM 315 CA ALA A 21 -0.021 5.288 -10.191 1.00 0.00 C ATOM 316 C ALA A 21 -0.933 5.339 -11.427 1.00 0.00 C ATOM 317 O ALA A 21 -1.832 6.160 -11.502 1.00 0.00 O ATOM 318 CB ALA A 21 1.418 5.713 -10.500 1.00 0.00 C ATOM 0 H ALA A 21 0.867 3.505 -9.548 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.429 6.013 -9.487 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.414 6.697 -10.968 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.992 5.754 -9.574 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.873 4.991 -11.178 1.00 0.00 H new ATOM 324 N GLU A 22 -0.742 4.461 -12.403 1.00 0.00 N ATOM 325 CA GLU A 22 -1.473 4.500 -13.670 1.00 0.00 C ATOM 326 C GLU A 22 -2.950 4.152 -13.452 1.00 0.00 C ATOM 327 O GLU A 22 -3.835 4.786 -14.021 1.00 0.00 O ATOM 328 CB GLU A 22 -0.785 3.633 -14.745 1.00 0.00 C ATOM 329 CG GLU A 22 -0.871 2.122 -14.484 1.00 0.00 C ATOM 330 CD GLU A 22 0.047 1.281 -15.364 1.00 0.00 C ATOM 331 OE1 GLU A 22 0.585 1.812 -16.357 1.00 0.00 O ATOM 332 OE2 GLU A 22 0.225 0.088 -15.025 1.00 0.00 O ATOM 0 H GLU A 22 -0.071 3.695 -12.341 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.451 5.518 -14.059 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.236 3.849 -15.714 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.264 3.920 -14.810 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.628 1.931 -13.439 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.900 1.797 -14.637 1.00 0.00 H new ATOM 339 N LYS A 23 -3.212 3.146 -12.615 1.00 0.00 N ATOM 340 CA LYS A 23 -4.546 2.715 -12.238 1.00 0.00 C ATOM 341 C LYS A 23 -5.301 3.848 -11.543 1.00 0.00 C ATOM 342 O LYS A 23 -6.463 4.097 -11.857 1.00 0.00 O ATOM 343 CB LYS A 23 -4.430 1.498 -11.307 1.00 0.00 C ATOM 344 CG LYS A 23 -3.740 0.300 -11.981 1.00 0.00 C ATOM 345 CD LYS A 23 -4.693 -0.515 -12.853 1.00 0.00 C ATOM 346 CE LYS A 23 -5.611 -1.390 -11.982 1.00 0.00 C ATOM 347 NZ LYS A 23 -6.183 -2.541 -12.706 1.00 0.00 N ATOM 0 H LYS A 23 -2.475 2.597 -12.172 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.105 2.440 -13.132 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.871 1.780 -10.415 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.426 1.201 -10.978 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.912 0.659 -12.592 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.313 -0.346 -11.214 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.295 0.155 -13.467 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.122 -1.145 -13.535 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.046 -1.754 -11.124 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.423 -0.776 -11.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.374 -3.313 -12.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.071 -2.255 -13.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.509 -2.868 -13.427 1.00 0.00 H new ATOM 361 N LEU A 24 -4.660 4.480 -10.556 1.00 0.00 N ATOM 362 CA LEU A 24 -5.310 5.429 -9.661 1.00 0.00 C ATOM 363 C LEU A 24 -5.056 6.876 -10.087 1.00 0.00 C ATOM 364 O LEU A 24 -6.005 7.623 -10.308 1.00 0.00 O ATOM 365 CB LEU A 24 -4.854 5.200 -8.216 1.00 0.00 C ATOM 366 CG LEU A 24 -4.968 3.736 -7.761 1.00 0.00 C ATOM 367 CD1 LEU A 24 -4.242 3.584 -6.423 1.00 0.00 C ATOM 368 CD2 LEU A 24 -6.435 3.307 -7.674 1.00 0.00 C ATOM 0 H LEU A 24 -3.669 4.344 -10.358 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.385 5.257 -9.720 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.818 5.524 -8.115 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.450 5.826 -7.552 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.497 3.078 -8.491 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.313 2.550 -6.086 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.193 3.854 -6.545 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.701 4.240 -5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.492 2.268 -7.350 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.957 3.940 -6.956 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.902 3.408 -8.654 1.00 0.00 H new ATOM 380 N GLY A 25 -3.786 7.283 -10.177 1.00 0.00 N ATOM 381 CA GLY A 25 -3.381 8.624 -10.535 1.00 0.00 C ATOM 382 C GLY A 25 -2.013 8.859 -9.907 1.00 0.00 C ATOM 383 O GLY A 25 -0.983 8.602 -10.526 1.00 0.00 O ATOM 0 H GLY A 25 -2.997 6.662 -9.995 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.332 8.736 -11.618 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.103 9.355 -10.171 1.00 0.00 H new ATOM 387 N CYS A 26 -2.012 9.318 -8.655 1.00 0.00 N ATOM 388 CA CYS A 26 -0.815 9.643 -7.869 1.00 0.00 C ATOM 389 C CYS A 26 -1.268 10.221 -6.529 1.00 0.00 C ATOM 390 O CYS A 26 -0.914 9.747 -5.444 1.00 0.00 O ATOM 391 CB CYS A 26 0.061 10.656 -8.595 1.00 0.00 C ATOM 392 SG CYS A 26 1.775 10.544 -8.038 1.00 0.00 S ATOM 0 H CYS A 26 -2.876 9.481 -8.138 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.225 8.739 -7.721 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.012 10.481 -9.670 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.318 11.663 -8.418 1.00 0.00 H new ATOM 397 N ASP A 27 -2.132 11.223 -6.680 1.00 0.00 N ATOM 398 CA ASP A 27 -3.020 11.850 -5.714 1.00 0.00 C ATOM 399 C ASP A 27 -3.490 10.856 -4.659 1.00 0.00 C ATOM 400 O ASP A 27 -3.453 11.136 -3.465 1.00 0.00 O ATOM 401 CB ASP A 27 -4.227 12.400 -6.502 1.00 0.00 C ATOM 402 CG ASP A 27 -4.987 11.350 -7.325 1.00 0.00 C ATOM 403 OD1 ASP A 27 -4.344 10.343 -7.721 1.00 0.00 O ATOM 404 OD2 ASP A 27 -6.193 11.572 -7.542 1.00 0.00 O ATOM 0 H ASP A 27 -2.235 11.664 -7.594 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.495 12.646 -5.186 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.921 12.864 -5.801 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.879 13.185 -7.173 1.00 0.00 H new ATOM 409 N ALA A 28 -3.903 9.683 -5.136 1.00 0.00 N ATOM 410 CA ALA A 28 -4.383 8.545 -4.379 1.00 0.00 C ATOM 411 C ALA A 28 -3.575 8.294 -3.106 1.00 0.00 C ATOM 412 O ALA A 28 -4.143 7.894 -2.092 1.00 0.00 O ATOM 413 CB ALA A 28 -4.337 7.327 -5.297 1.00 0.00 C ATOM 0 H ALA A 28 -3.908 9.497 -6.139 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.401 8.747 -4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.693 6.450 -4.756 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.973 7.501 -6.165 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.312 7.158 -5.627 1.00 0.00 H new ATOM 419 N CYS A 29 -2.258 8.511 -3.174 1.00 0.00 N ATOM 420 CA CYS A 29 -1.365 8.395 -2.028 1.00 0.00 C ATOM 421 C CYS A 29 -0.657 9.728 -1.771 1.00 0.00 C ATOM 422 O CYS A 29 -0.559 10.184 -0.632 1.00 0.00 O ATOM 423 CB CYS A 29 -0.377 7.283 -2.270 1.00 0.00 C ATOM 424 SG CYS A 29 -1.242 5.726 -2.666 1.00 0.00 S ATOM 0 H CYS A 29 -1.782 8.774 -4.037 1.00 0.00 H new ATOM 0 HA CYS A 29 -1.943 8.152 -1.137 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.289 7.553 -3.090 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.246 7.144 -1.386 1.00 0.00 H new ATOM 429 N HIS A 30 -0.114 10.350 -2.819 1.00 0.00 N ATOM 430 CA HIS A 30 0.807 11.462 -2.665 1.00 0.00 C ATOM 431 C HIS A 30 0.085 12.797 -2.735 1.00 0.00 C ATOM 432 O HIS A 30 0.266 13.549 -3.691 1.00 0.00 O ATOM 433 CB HIS A 30 1.909 11.371 -3.717 1.00 0.00 C ATOM 434 CG HIS A 30 2.873 10.267 -3.417 1.00 0.00 C ATOM 435 ND1 HIS A 30 3.812 10.268 -2.419 1.00 0.00 N ATOM 436 CD2 HIS A 30 3.080 9.162 -4.173 1.00 0.00 C ATOM 437 CE1 HIS A 30 4.597 9.183 -2.604 1.00 0.00 C ATOM 438 NE2 HIS A 30 4.184 8.484 -3.665 1.00 0.00 N ATOM 0 H HIS A 30 -0.302 10.095 -3.788 1.00 0.00 H new ATOM 0 HA HIS A 30 1.262 11.399 -1.677 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.463 11.207 -4.698 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.445 12.319 -3.765 1.00 0.00 H new ATOM 0 HD1 HIS A 30 3.902 10.959 -1.674 1.00 0.00 H new ATOM 0 HD2 HIS A 30 2.489 8.859 -5.025 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.439 8.919 -1.982 1.00 0.00 H new ATOM 446 N GLU A 31 -0.661 13.121 -1.681 1.00 0.00 N ATOM 447 CA GLU A 31 -1.216 14.461 -1.538 1.00 0.00 C ATOM 448 C GLU A 31 -0.069 15.420 -1.225 1.00 0.00 C ATOM 449 O GLU A 31 0.300 16.295 -2.006 1.00 0.00 O ATOM 450 CB GLU A 31 -2.278 14.522 -0.423 1.00 0.00 C ATOM 451 CG GLU A 31 -3.170 13.285 -0.385 1.00 0.00 C ATOM 452 CD GLU A 31 -4.407 13.559 0.459 1.00 0.00 C ATOM 453 OE1 GLU A 31 -5.323 14.220 -0.074 1.00 0.00 O ATOM 454 OE2 GLU A 31 -4.387 13.153 1.641 1.00 0.00 O ATOM 0 H GLU A 31 -0.892 12.480 -0.922 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.711 14.743 -2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.780 14.635 0.540 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.898 15.407 -0.567 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.465 13.008 -1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.618 12.441 0.028 1.00 0.00 H new ATOM 461 N GLY A 32 0.510 15.224 -0.043 1.00 0.00 N ATOM 462 CA GLY A 32 1.435 16.161 0.577 1.00 0.00 C ATOM 463 C GLY A 32 2.863 16.036 0.047 1.00 0.00 C ATOM 464 O GLY A 32 3.795 15.995 0.842 1.00 0.00 O ATOM 0 H GLY A 32 0.344 14.390 0.520 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.080 17.178 0.409 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.439 15.999 1.655 1.00 0.00 H new ATOM 468 N THR A 33 3.032 16.037 -1.281 1.00 0.00 N ATOM 469 CA THR A 33 4.317 15.959 -1.982 1.00 0.00 C ATOM 470 C THR A 33 4.950 14.559 -1.862 1.00 0.00 C ATOM 471 O THR A 33 5.074 14.032 -0.759 1.00 0.00 O ATOM 472 CB THR A 33 5.284 17.056 -1.490 1.00 0.00 C ATOM 473 OG1 THR A 33 4.620 18.302 -1.477 1.00 0.00 O ATOM 474 CG2 THR A 33 6.513 17.198 -2.393 1.00 0.00 C ATOM 0 H THR A 33 2.242 16.095 -1.923 1.00 0.00 H new ATOM 0 HA THR A 33 4.122 16.133 -3.040 1.00 0.00 H new ATOM 0 HB THR A 33 5.611 16.763 -0.492 1.00 0.00 H new ATOM 0 HG1 THR A 33 5.235 18.997 -1.163 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.162 17.983 -2.004 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.058 16.254 -2.416 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.195 17.458 -3.403 1.00 0.00 H new ATOM 482 N PRO A 34 5.409 13.933 -2.959 1.00 0.00 N ATOM 483 CA PRO A 34 6.066 12.631 -2.915 1.00 0.00 C ATOM 484 C PRO A 34 7.515 12.726 -2.440 1.00 0.00 C ATOM 485 O PRO A 34 8.416 12.117 -3.019 1.00 0.00 O ATOM 486 CB PRO A 34 5.949 12.071 -4.330 1.00 0.00 C ATOM 487 CG PRO A 34 6.026 13.339 -5.168 1.00 0.00 C ATOM 488 CD PRO A 34 5.267 14.372 -4.336 1.00 0.00 C ATOM 0 HA PRO A 34 5.592 11.971 -2.189 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.755 11.376 -4.564 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.012 11.535 -4.483 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.059 13.643 -5.339 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.568 13.200 -6.147 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.681 15.371 -4.475 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.218 14.418 -4.628 1.00 0.00 H new ATOM 496 N ALA A 35 7.745 13.415 -1.325 1.00 0.00 N ATOM 497 CA ALA A 35 9.039 13.430 -0.668 1.00 0.00 C ATOM 498 C ALA A 35 9.141 12.179 0.208 1.00 0.00 C ATOM 499 O ALA A 35 9.361 12.283 1.414 1.00 0.00 O ATOM 500 CB ALA A 35 9.161 14.732 0.125 1.00 0.00 C ATOM 0 H ALA A 35 7.036 13.977 -0.855 1.00 0.00 H new ATOM 0 HA ALA A 35 9.867 13.404 -1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.128 14.763 0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.077 15.581 -0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.365 14.782 0.868 1.00 0.00 H new ATOM 506 N LYS A 36 8.948 11.005 -0.411 1.00 0.00 N ATOM 507 CA LYS A 36 8.719 9.738 0.276 1.00 0.00 C ATOM 508 C LYS A 36 7.409 9.747 1.068 1.00 0.00 C ATOM 509 O LYS A 36 6.807 10.793 1.298 1.00 0.00 O ATOM 510 CB LYS A 36 9.922 9.360 1.175 1.00 0.00 C ATOM 511 CG LYS A 36 10.647 8.128 0.634 1.00 0.00 C ATOM 512 CD LYS A 36 11.585 7.425 1.620 1.00 0.00 C ATOM 513 CE LYS A 36 10.843 6.979 2.890 1.00 0.00 C ATOM 514 NZ LYS A 36 11.218 5.619 3.321 1.00 0.00 N ATOM 0 H LYS A 36 8.948 10.915 -1.427 1.00 0.00 H new ATOM 0 HA LYS A 36 8.624 8.968 -0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.616 10.199 1.231 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.575 9.165 2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.901 7.409 0.295 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.225 8.424 -0.241 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.036 6.557 1.138 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.399 8.098 1.891 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.055 7.682 3.695 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.769 7.015 2.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.180 5.561 4.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.555 4.930 2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.183 5.406 2.997 1.00 0.00 H new ATOM 528 N ILE A 37 6.969 8.552 1.478 1.00 0.00 N ATOM 529 CA ILE A 37 6.079 8.409 2.624 1.00 0.00 C ATOM 530 C ILE A 37 6.925 7.729 3.709 1.00 0.00 C ATOM 531 O ILE A 37 8.005 8.216 4.032 1.00 0.00 O ATOM 532 CB ILE A 37 4.789 7.644 2.243 1.00 0.00 C ATOM 533 CG1 ILE A 37 4.185 8.093 0.916 1.00 0.00 C ATOM 534 CG2 ILE A 37 3.702 7.726 3.335 1.00 0.00 C ATOM 535 CD1 ILE A 37 3.490 9.459 0.936 1.00 0.00 C ATOM 0 H ILE A 37 7.218 7.671 1.029 1.00 0.00 H new ATOM 0 HA ILE A 37 5.706 9.364 2.994 1.00 0.00 H new ATOM 0 HB ILE A 37 5.117 6.610 2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.976 8.118 0.167 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.464 7.343 0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.820 7.172 3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.083 7.296 4.261 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.433 8.769 3.503 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.097 9.682 -0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.671 9.440 1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.207 10.228 1.223 1.00 0.00 H new ATOM 547 N ALA A 38 6.451 6.593 4.218 1.00 0.00 N ATOM 548 CA ALA A 38 6.999 5.763 5.280 1.00 0.00 C ATOM 549 C ALA A 38 5.821 4.975 5.838 1.00 0.00 C ATOM 550 O ALA A 38 5.355 5.227 6.947 1.00 0.00 O ATOM 551 CB ALA A 38 7.610 6.609 6.394 1.00 0.00 C ATOM 0 H ALA A 38 5.585 6.194 3.857 1.00 0.00 H new ATOM 0 HA ALA A 38 7.791 5.122 4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.009 5.956 7.170 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.414 7.222 5.986 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.844 7.255 6.823 1.00 0.00 H new ATOM 557 N ILE A 39 5.280 4.068 5.031 1.00 0.00 N ATOM 558 CA ILE A 39 4.129 3.292 5.446 1.00 0.00 C ATOM 559 C ILE A 39 4.588 2.280 6.487 1.00 0.00 C ATOM 560 O ILE A 39 5.394 1.405 6.180 1.00 0.00 O ATOM 561 CB ILE A 39 3.483 2.638 4.223 1.00 0.00 C ATOM 562 CG1 ILE A 39 2.846 3.707 3.324 1.00 0.00 C ATOM 563 CG2 ILE A 39 2.469 1.561 4.616 1.00 0.00 C ATOM 564 CD1 ILE A 39 1.568 4.360 3.860 1.00 0.00 C ATOM 0 H ILE A 39 5.621 3.857 4.093 1.00 0.00 H new ATOM 0 HA ILE A 39 3.366 3.923 5.902 1.00 0.00 H new ATOM 0 HB ILE A 39 4.268 2.134 3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.583 4.490 3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.622 3.255 2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.035 1.124 3.717 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.970 0.783 5.193 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.679 2.008 5.219 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.208 5.098 3.143 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.805 3.597 4.010 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.781 4.851 4.809 1.00 0.00 H new ATOM 576 N ASP A 40 4.044 2.409 7.695 1.00 0.00 N ATOM 577 CA ASP A 40 4.228 1.460 8.777 1.00 0.00 C ATOM 578 C ASP A 40 2.954 0.661 8.967 1.00 0.00 C ATOM 579 O ASP A 40 1.907 0.969 8.402 1.00 0.00 O ATOM 580 CB ASP A 40 4.560 2.140 10.108 1.00 0.00 C ATOM 581 CG ASP A 40 3.317 2.619 10.848 1.00 0.00 C ATOM 582 OD1 ASP A 40 2.534 3.389 10.242 1.00 0.00 O ATOM 583 OD2 ASP A 40 3.103 2.109 11.972 1.00 0.00 O ATOM 0 H ASP A 40 3.449 3.198 7.949 1.00 0.00 H new ATOM 0 HA ASP A 40 5.067 0.822 8.499 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.109 1.443 10.741 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.218 2.989 9.924 1.00 0.00 H new ATOM 588 N LYS A 41 3.073 -0.332 9.832 1.00 0.00 N ATOM 589 CA LYS A 41 2.015 -1.185 10.318 1.00 0.00 C ATOM 590 C LYS A 41 0.754 -0.403 10.663 1.00 0.00 C ATOM 591 O LYS A 41 -0.328 -0.746 10.187 1.00 0.00 O ATOM 592 CB LYS A 41 2.554 -1.984 11.505 1.00 0.00 C ATOM 593 CG LYS A 41 3.219 -1.179 12.636 1.00 0.00 C ATOM 594 CD LYS A 41 4.152 -2.140 13.378 1.00 0.00 C ATOM 595 CE LYS A 41 4.874 -1.528 14.578 1.00 0.00 C ATOM 596 NZ LYS A 41 5.797 -2.518 15.171 1.00 0.00 N ATOM 0 H LYS A 41 3.976 -0.576 10.238 1.00 0.00 H new ATOM 0 HA LYS A 41 1.710 -1.873 9.530 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.730 -2.555 11.933 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.280 -2.705 11.128 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.777 -0.334 12.232 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.468 -0.771 13.312 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.572 -2.998 13.719 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.896 -2.517 12.676 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.428 -0.643 14.267 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.148 -1.204 15.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.492 -2.029 15.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.257 -3.194 15.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.293 -3.029 14.412 1.00 0.00 H new ATOM 610 N LYS A 42 0.887 0.642 11.486 1.00 0.00 N ATOM 611 CA LYS A 42 -0.235 1.517 11.789 1.00 0.00 C ATOM 612 C LYS A 42 -0.839 2.012 10.480 1.00 0.00 C ATOM 613 O LYS A 42 -1.950 1.620 10.150 1.00 0.00 O ATOM 614 CB LYS A 42 0.166 2.712 12.665 1.00 0.00 C ATOM 615 CG LYS A 42 0.715 2.321 14.040 1.00 0.00 C ATOM 616 CD LYS A 42 1.364 3.558 14.686 1.00 0.00 C ATOM 617 CE LYS A 42 0.908 3.810 16.128 1.00 0.00 C ATOM 618 NZ LYS A 42 1.253 2.695 17.032 1.00 0.00 N ATOM 0 H LYS A 42 1.759 0.897 11.949 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.965 0.941 12.358 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.919 3.299 12.138 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.702 3.356 12.802 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.088 1.942 14.673 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.447 1.520 13.940 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.447 3.438 14.672 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.133 4.436 14.082 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.367 4.727 16.496 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.171 3.965 16.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.924 2.913 17.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.794 1.823 16.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.284 2.562 17.041 1.00 0.00 H new ATOM 632 N SER A 43 -0.126 2.860 9.739 1.00 0.00 N ATOM 633 CA SER A 43 -0.650 3.502 8.540 1.00 0.00 C ATOM 634 C SER A 43 -1.332 2.479 7.628 1.00 0.00 C ATOM 635 O SER A 43 -2.527 2.575 7.346 1.00 0.00 O ATOM 636 CB SER A 43 0.497 4.217 7.819 1.00 0.00 C ATOM 637 OG SER A 43 1.175 5.078 8.713 1.00 0.00 O ATOM 0 H SER A 43 0.836 3.120 9.957 1.00 0.00 H new ATOM 0 HA SER A 43 -1.407 4.235 8.818 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.193 3.484 7.411 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.107 4.789 6.977 1.00 0.00 H new ATOM 0 HG SER A 43 1.917 4.595 9.133 1.00 0.00 H new ATOM 643 N ALA A 44 -0.541 1.484 7.226 1.00 0.00 N ATOM 644 CA ALA A 44 -0.876 0.351 6.388 1.00 0.00 C ATOM 645 C ALA A 44 -2.220 -0.264 6.758 1.00 0.00 C ATOM 646 O ALA A 44 -3.146 -0.294 5.939 1.00 0.00 O ATOM 647 CB ALA A 44 0.241 -0.682 6.528 1.00 0.00 C ATOM 0 H ALA A 44 0.439 1.456 7.509 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.967 0.688 5.355 1.00 0.00 H new ATOM 0 HB1 ALA A 44 0.015 -1.549 5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.186 -0.242 6.208 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.320 -0.993 7.570 1.00 0.00 H new ATOM 653 N HIS A 45 -2.298 -0.777 7.990 1.00 0.00 N ATOM 654 CA HIS A 45 -3.452 -1.521 8.457 1.00 0.00 C ATOM 655 C HIS A 45 -4.586 -0.580 8.874 1.00 0.00 C ATOM 656 O HIS A 45 -5.730 -1.021 8.969 1.00 0.00 O ATOM 657 CB HIS A 45 -3.080 -2.421 9.643 1.00 0.00 C ATOM 658 CG HIS A 45 -1.829 -3.264 9.532 1.00 0.00 C ATOM 659 ND1 HIS A 45 -1.006 -3.528 10.598 1.00 0.00 N ATOM 660 CD2 HIS A 45 -1.352 -3.981 8.459 1.00 0.00 C ATOM 661 CE1 HIS A 45 -0.062 -4.383 10.183 1.00 0.00 C ATOM 662 NE2 HIS A 45 -0.221 -4.697 8.889 1.00 0.00 N ATOM 0 H HIS A 45 -1.558 -0.683 8.685 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.793 -2.141 7.628 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.978 -1.787 10.524 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.919 -3.092 9.829 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -1.097 -3.142 11.538 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.772 -3.992 7.464 1.00 0.00 H new ATOM 0 HE1 HIS A 45 0.727 -4.770 10.811 1.00 0.00 H new ATOM 670 N LYS A 46 -4.296 0.691 9.167 1.00 0.00 N ATOM 671 CA LYS A 46 -5.271 1.638 9.686 1.00 0.00 C ATOM 672 C LYS A 46 -6.048 2.172 8.488 1.00 0.00 C ATOM 673 O LYS A 46 -7.176 1.738 8.262 1.00 0.00 O ATOM 674 CB LYS A 46 -4.541 2.704 10.532 1.00 0.00 C ATOM 675 CG LYS A 46 -5.377 3.778 11.242 1.00 0.00 C ATOM 676 CD LYS A 46 -5.933 4.796 10.243 1.00 0.00 C ATOM 677 CE LYS A 46 -6.296 6.158 10.845 1.00 0.00 C ATOM 678 NZ LYS A 46 -5.106 7.018 11.016 1.00 0.00 N ATOM 0 H LYS A 46 -3.365 1.090 9.047 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.996 1.192 10.367 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.959 2.182 11.291 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.831 3.214 9.881 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.199 3.306 11.780 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.763 4.290 11.983 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.197 4.948 9.454 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.821 4.374 9.773 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.017 6.660 10.200 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.780 6.011 11.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.393 7.930 11.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.428 6.551 11.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.658 7.179 10.091 1.00 0.00 H new ATOM 692 N ASP A 47 -5.415 3.066 7.723 1.00 0.00 N ATOM 693 CA ASP A 47 -5.971 3.734 6.557 1.00 0.00 C ATOM 694 C ASP A 47 -4.808 4.105 5.652 1.00 0.00 C ATOM 695 O ASP A 47 -4.393 5.261 5.585 1.00 0.00 O ATOM 696 CB ASP A 47 -6.791 4.992 6.903 1.00 0.00 C ATOM 697 CG ASP A 47 -8.194 4.709 7.417 1.00 0.00 C ATOM 698 OD1 ASP A 47 -8.906 3.940 6.735 1.00 0.00 O ATOM 699 OD2 ASP A 47 -8.534 5.293 8.469 1.00 0.00 O ATOM 0 H ASP A 47 -4.455 3.353 7.915 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.668 3.053 6.069 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.251 5.566 7.656 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.863 5.619 6.014 1.00 0.00 H new ATOM 704 N ALA A 48 -4.293 3.107 4.940 1.00 0.00 N ATOM 705 CA ALA A 48 -3.460 3.337 3.779 1.00 0.00 C ATOM 706 C ALA A 48 -3.717 2.205 2.800 1.00 0.00 C ATOM 707 O ALA A 48 -4.258 2.419 1.719 1.00 0.00 O ATOM 708 CB ALA A 48 -1.985 3.473 4.160 1.00 0.00 C ATOM 0 H ALA A 48 -4.445 2.122 5.156 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.715 4.285 3.306 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.392 3.645 3.262 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.862 4.314 4.843 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.649 2.558 4.647 1.00 0.00 H new ATOM 714 N CYS A 49 -3.374 0.983 3.199 1.00 0.00 N ATOM 715 CA CYS A 49 -3.569 -0.187 2.369 1.00 0.00 C ATOM 716 C CYS A 49 -4.916 -0.836 2.709 1.00 0.00 C ATOM 717 O CYS A 49 -5.740 -1.084 1.826 1.00 0.00 O ATOM 718 CB CYS A 49 -2.420 -1.144 2.554 1.00 0.00 C ATOM 719 SG CYS A 49 -0.783 -0.390 2.785 1.00 0.00 S ATOM 0 H CYS A 49 -2.954 0.783 4.107 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.591 0.100 1.318 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.633 -1.773 3.418 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.376 -1.800 1.685 1.00 0.00 H new ATOM 724 N LYS A 50 -5.179 -1.122 3.990 1.00 0.00 N ATOM 725 CA LYS A 50 -6.348 -1.902 4.404 1.00 0.00 C ATOM 726 C LYS A 50 -7.639 -1.063 4.413 1.00 0.00 C ATOM 727 O LYS A 50 -8.421 -1.150 5.356 1.00 0.00 O ATOM 728 CB LYS A 50 -6.063 -2.508 5.788 1.00 0.00 C ATOM 729 CG LYS A 50 -7.049 -3.622 6.187 1.00 0.00 C ATOM 730 CD LYS A 50 -7.284 -3.676 7.706 1.00 0.00 C ATOM 731 CE LYS A 50 -8.422 -2.765 8.216 1.00 0.00 C ATOM 732 NZ LYS A 50 -8.189 -1.318 8.001 1.00 0.00 N ATOM 0 H LYS A 50 -4.589 -0.820 4.765 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.517 -2.697 3.678 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.050 -2.910 5.798 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.099 -1.717 6.537 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.000 -3.461 5.680 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.665 -4.584 5.846 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.506 -4.705 7.989 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.360 -3.398 8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.349 -3.049 7.719 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.564 -2.944 9.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.918 -0.771 8.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.250 -1.060 8.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.235 -1.106 6.984 1.00 0.00 H new ATOM 746 N THR A 51 -7.878 -0.273 3.369 1.00 0.00 N ATOM 747 CA THR A 51 -8.997 0.662 3.282 1.00 0.00 C ATOM 748 C THR A 51 -9.420 0.850 1.835 1.00 0.00 C ATOM 749 O THR A 51 -10.613 0.879 1.547 1.00 0.00 O ATOM 750 CB THR A 51 -8.636 1.989 3.957 1.00 0.00 C ATOM 751 OG1 THR A 51 -8.575 1.719 5.335 1.00 0.00 O ATOM 752 CG2 THR A 51 -9.673 3.093 3.711 1.00 0.00 C ATOM 0 H THR A 51 -7.284 -0.265 2.540 1.00 0.00 H new ATOM 0 HA THR A 51 -9.852 0.248 3.817 1.00 0.00 H new ATOM 0 HB THR A 51 -7.696 2.356 3.546 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.988 2.456 5.831 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.359 4.007 4.216 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.758 3.280 2.641 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.640 2.777 4.102 1.00 0.00 H new ATOM 760 N CYS A 52 -8.459 0.949 0.919 1.00 0.00 N ATOM 761 CA CYS A 52 -8.778 0.916 -0.492 1.00 0.00 C ATOM 762 C CYS A 52 -9.356 -0.443 -0.875 1.00 0.00 C ATOM 763 O CYS A 52 -10.495 -0.530 -1.324 1.00 0.00 O ATOM 764 CB CYS A 52 -7.549 1.217 -1.293 1.00 0.00 C ATOM 765 SG CYS A 52 -7.422 3.005 -1.561 1.00 0.00 S ATOM 0 H CYS A 52 -7.467 1.051 1.132 1.00 0.00 H new ATOM 0 HA CYS A 52 -9.531 1.674 -0.707 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -6.664 0.853 -0.771 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -7.590 0.697 -2.250 1.00 0.00 H new ATOM 770 N HIS A 53 -8.588 -1.521 -0.687 1.00 0.00 N ATOM 771 CA HIS A 53 -8.860 -2.804 -1.338 1.00 0.00 C ATOM 772 C HIS A 53 -10.095 -3.551 -0.798 1.00 0.00 C ATOM 773 O HIS A 53 -10.208 -4.750 -1.052 1.00 0.00 O ATOM 774 CB HIS A 53 -7.633 -3.734 -1.259 1.00 0.00 C ATOM 775 CG HIS A 53 -6.296 -3.070 -1.426 1.00 0.00 C ATOM 776 ND1 HIS A 53 -5.587 -2.508 -0.396 1.00 0.00 N ATOM 777 CD2 HIS A 53 -5.592 -2.855 -2.582 1.00 0.00 C ATOM 778 CE1 HIS A 53 -4.487 -1.968 -0.929 1.00 0.00 C ATOM 779 NE2 HIS A 53 -4.439 -2.143 -2.251 1.00 0.00 N ATOM 0 H HIS A 53 -7.766 -1.528 -0.083 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.081 -2.545 -2.374 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -7.647 -4.242 -0.294 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -7.734 -4.503 -2.025 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -5.849 -2.503 0.590 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.878 -3.179 -3.572 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.729 -1.452 -0.359 1.00 0.00 H new ATOM 787 N LYS A 54 -10.981 -2.877 -0.051 1.00 0.00 N ATOM 788 CA LYS A 54 -12.142 -3.400 0.669 1.00 0.00 C ATOM 789 C LYS A 54 -12.773 -4.650 0.053 1.00 0.00 C ATOM 790 O LYS A 54 -12.962 -5.640 0.755 1.00 0.00 O ATOM 791 CB LYS A 54 -13.188 -2.287 0.807 1.00 0.00 C ATOM 792 CG LYS A 54 -12.706 -1.220 1.799 1.00 0.00 C ATOM 793 CD LYS A 54 -13.186 -1.437 3.241 1.00 0.00 C ATOM 794 CE LYS A 54 -14.682 -1.151 3.461 1.00 0.00 C ATOM 795 NZ LYS A 54 -15.041 0.252 3.162 1.00 0.00 N ATOM 0 H LYS A 54 -10.893 -1.868 0.073 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.777 -3.722 1.644 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -13.374 -1.831 -0.166 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.134 -2.708 1.147 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.616 -1.198 1.790 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.047 -0.243 1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.979 -2.468 3.529 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.604 -0.798 3.905 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.272 -1.816 2.830 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.943 -1.377 4.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.006 0.443 3.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.374 0.891 3.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.995 0.411 2.135 1.00 0.00 H new ATOM 809 N SER A 55 -13.138 -4.589 -1.231 1.00 0.00 N ATOM 810 CA SER A 55 -13.740 -5.711 -1.945 1.00 0.00 C ATOM 811 C SER A 55 -13.016 -5.936 -3.273 1.00 0.00 C ATOM 812 O SER A 55 -13.638 -6.356 -4.246 1.00 0.00 O ATOM 813 CB SER A 55 -15.238 -5.434 -2.145 1.00 0.00 C ATOM 814 OG SER A 55 -15.876 -6.545 -2.740 1.00 0.00 O ATOM 0 H SER A 55 -13.022 -3.754 -1.805 1.00 0.00 H new ATOM 0 HA SER A 55 -13.638 -6.627 -1.363 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.703 -5.212 -1.185 1.00 0.00 H new ATOM 0 HB3 SER A 55 -15.369 -4.553 -2.774 1.00 0.00 H new ATOM 0 HG SER A 55 -15.313 -6.899 -3.460 1.00 0.00 H new ATOM 820 N ASN A 56 -11.713 -5.645 -3.314 1.00 0.00 N ATOM 821 CA ASN A 56 -10.916 -5.736 -4.532 1.00 0.00 C ATOM 822 C ASN A 56 -10.238 -7.099 -4.564 1.00 0.00 C ATOM 823 O ASN A 56 -10.288 -7.801 -5.570 1.00 0.00 O ATOM 824 CB ASN A 56 -9.850 -4.633 -4.594 1.00 0.00 C ATOM 825 CG ASN A 56 -10.401 -3.208 -4.572 1.00 0.00 C ATOM 826 OD1 ASN A 56 -11.451 -2.931 -4.000 1.00 0.00 O ATOM 827 ND2 ASN A 56 -9.652 -2.269 -5.142 1.00 0.00 N ATOM 0 H ASN A 56 -11.183 -5.339 -2.498 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.575 -5.609 -5.391 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.169 -4.757 -3.752 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -9.262 -4.766 -5.502 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.946 -1.293 -5.110 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.783 -2.525 -5.611 1.00 0.00 H new ATOM 834 N ASN A 57 -9.585 -7.453 -3.453 1.00 0.00 N ATOM 835 CA ASN A 57 -8.872 -8.714 -3.276 1.00 0.00 C ATOM 836 C ASN A 57 -9.449 -9.452 -2.065 1.00 0.00 C ATOM 837 O ASN A 57 -10.046 -8.828 -1.194 1.00 0.00 O ATOM 838 CB ASN A 57 -7.372 -8.428 -3.117 1.00 0.00 C ATOM 839 CG ASN A 57 -6.530 -9.702 -3.142 1.00 0.00 C ATOM 840 OD1 ASN A 57 -7.001 -10.759 -3.554 1.00 0.00 O ATOM 841 ND2 ASN A 57 -5.281 -9.622 -2.696 1.00 0.00 N ATOM 0 H ASN A 57 -9.539 -6.851 -2.631 1.00 0.00 H new ATOM 0 HA ASN A 57 -8.998 -9.355 -4.148 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.045 -7.764 -3.917 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -7.203 -7.902 -2.177 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.687 -10.452 -2.690 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.916 -8.731 -2.360 1.00 0.00 H new ATOM 848 N GLY A 58 -9.292 -10.777 -2.023 1.00 0.00 N ATOM 849 CA GLY A 58 -9.883 -11.656 -1.016 1.00 0.00 C ATOM 850 C GLY A 58 -9.239 -11.527 0.371 1.00 0.00 C ATOM 851 O GLY A 58 -9.928 -11.149 1.323 1.00 0.00 O ATOM 0 H GLY A 58 -8.733 -11.282 -2.711 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -10.947 -11.436 -0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -9.796 -12.689 -1.352 1.00 0.00 H new ATOM 855 N PRO A 59 -7.947 -11.888 0.520 1.00 0.00 N ATOM 856 CA PRO A 59 -7.213 -11.838 1.783 1.00 0.00 C ATOM 857 C PRO A 59 -7.093 -10.402 2.315 1.00 0.00 C ATOM 858 O PRO A 59 -6.074 -9.729 2.174 1.00 0.00 O ATOM 859 CB PRO A 59 -5.863 -12.510 1.505 1.00 0.00 C ATOM 860 CG PRO A 59 -5.689 -12.385 -0.005 1.00 0.00 C ATOM 861 CD PRO A 59 -7.122 -12.515 -0.502 1.00 0.00 C ATOM 0 HA PRO A 59 -7.734 -12.366 2.581 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.054 -12.015 2.042 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.864 -13.553 1.821 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -5.245 -11.430 -0.287 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.045 -13.167 -0.407 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -7.249 -12.022 -1.466 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.396 -13.561 -0.640 1.00 0.00 H new ATOM 869 N THR A 60 -8.179 -9.948 2.937 1.00 0.00 N ATOM 870 CA THR A 60 -8.449 -8.590 3.372 1.00 0.00 C ATOM 871 C THR A 60 -7.880 -8.367 4.768 1.00 0.00 C ATOM 872 O THR A 60 -7.362 -7.292 5.062 1.00 0.00 O ATOM 873 CB THR A 60 -9.976 -8.389 3.373 1.00 0.00 C ATOM 874 OG1 THR A 60 -10.628 -9.634 3.573 1.00 0.00 O ATOM 875 CG2 THR A 60 -10.468 -7.798 2.053 1.00 0.00 C ATOM 0 H THR A 60 -8.951 -10.575 3.165 1.00 0.00 H new ATOM 0 HA THR A 60 -7.978 -7.872 2.700 1.00 0.00 H new ATOM 0 HB THR A 60 -10.211 -7.696 4.181 1.00 0.00 H new ATOM 0 HG1 THR A 60 -11.599 -9.499 3.574 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.550 -7.671 2.092 1.00 0.00 H new ATOM 0 HG22 THR A 60 -9.995 -6.830 1.889 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.211 -8.471 1.235 1.00 0.00 H new ATOM 883 N LYS A 61 -8.009 -9.381 5.631 1.00 0.00 N ATOM 884 CA LYS A 61 -7.425 -9.356 6.959 1.00 0.00 C ATOM 885 C LYS A 61 -5.905 -9.428 6.824 1.00 0.00 C ATOM 886 O LYS A 61 -5.262 -8.384 6.848 1.00 0.00 O ATOM 887 CB LYS A 61 -8.020 -10.464 7.842 1.00 0.00 C ATOM 888 CG LYS A 61 -9.520 -10.222 8.071 1.00 0.00 C ATOM 889 CD LYS A 61 -10.058 -11.165 9.156 1.00 0.00 C ATOM 890 CE LYS A 61 -11.557 -10.919 9.383 1.00 0.00 C ATOM 891 NZ LYS A 61 -12.101 -11.748 10.481 1.00 0.00 N ATOM 0 H LYS A 61 -8.522 -10.237 5.420 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.669 -8.424 7.468 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.870 -11.434 7.369 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.500 -10.493 8.799 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.686 -9.186 8.366 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.066 -10.380 7.141 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.894 -12.201 8.861 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.512 -11.008 10.086 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.720 -9.866 9.611 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.102 -11.134 8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.115 -11.548 10.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.970 -12.754 10.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.601 -11.525 11.365 1.00 0.00 H new ATOM 905 N CYS A 62 -5.339 -10.626 6.635 1.00 0.00 N ATOM 906 CA CYS A 62 -3.928 -10.812 6.309 1.00 0.00 C ATOM 907 C CYS A 62 -3.826 -11.576 4.995 1.00 0.00 C ATOM 908 O CYS A 62 -4.838 -12.061 4.495 1.00 0.00 O ATOM 909 CB CYS A 62 -3.115 -11.497 7.387 1.00 0.00 C ATOM 910 SG CYS A 62 -3.569 -11.190 9.122 1.00 0.00 S ATOM 0 H CYS A 62 -5.858 -11.501 6.706 1.00 0.00 H new ATOM 0 HA CYS A 62 -3.492 -9.817 6.221 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.167 -12.572 7.213 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.073 -11.204 7.257 1.00 0.00 H new ATOM 915 N GLY A 63 -2.611 -11.664 4.441 1.00 0.00 N ATOM 916 CA GLY A 63 -2.325 -12.342 3.182 1.00 0.00 C ATOM 917 C GLY A 63 -2.278 -11.354 2.015 1.00 0.00 C ATOM 918 O GLY A 63 -1.541 -11.558 1.056 1.00 0.00 O ATOM 0 H GLY A 63 -1.782 -11.254 4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.372 -12.865 3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.088 -13.097 2.992 1.00 0.00 H new ATOM 922 N GLY A 64 -3.053 -10.271 2.105 1.00 0.00 N ATOM 923 CA GLY A 64 -3.221 -9.276 1.057 1.00 0.00 C ATOM 924 C GLY A 64 -1.913 -8.732 0.482 1.00 0.00 C ATOM 925 O GLY A 64 -1.839 -8.447 -0.711 1.00 0.00 O ATOM 0 H GLY A 64 -3.598 -10.060 2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.804 -9.715 0.247 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.802 -8.444 1.454 1.00 0.00 H new ATOM 929 N CYS A 65 -0.921 -8.519 1.351 1.00 0.00 N ATOM 930 CA CYS A 65 0.225 -7.658 1.083 1.00 0.00 C ATOM 931 C CYS A 65 1.510 -8.397 1.449 1.00 0.00 C ATOM 932 O CYS A 65 2.399 -8.554 0.617 1.00 0.00 O ATOM 933 CB CYS A 65 0.067 -6.380 1.876 1.00 0.00 C ATOM 934 SG CYS A 65 -1.613 -5.708 1.646 1.00 0.00 S ATOM 0 H CYS A 65 -0.895 -8.949 2.275 1.00 0.00 H new ATOM 0 HA CYS A 65 0.279 -7.402 0.025 1.00 0.00 H new ATOM 0 HB2 CYS A 65 0.249 -6.573 2.933 1.00 0.00 H new ATOM 0 HB3 CYS A 65 0.808 -5.648 1.554 1.00 0.00 H new ATOM 939 N HIS A 66 1.605 -8.865 2.699 1.00 0.00 N ATOM 940 CA HIS A 66 2.732 -9.666 3.147 1.00 0.00 C ATOM 941 C HIS A 66 2.772 -10.967 2.361 1.00 0.00 C ATOM 942 O HIS A 66 1.876 -11.794 2.525 1.00 0.00 O ATOM 943 CB HIS A 66 2.592 -10.022 4.632 1.00 0.00 C ATOM 944 CG HIS A 66 2.630 -8.835 5.540 1.00 0.00 C ATOM 945 ND1 HIS A 66 3.736 -8.067 5.810 1.00 0.00 N ATOM 946 CD2 HIS A 66 1.564 -8.290 6.195 1.00 0.00 C ATOM 947 CE1 HIS A 66 3.326 -7.061 6.605 1.00 0.00 C ATOM 948 NE2 HIS A 66 2.013 -7.161 6.859 1.00 0.00 N ATOM 0 H HIS A 66 0.903 -8.696 3.419 1.00 0.00 H new ATOM 0 HA HIS A 66 3.641 -9.085 2.992 1.00 0.00 H new ATOM 0 HB2 HIS A 66 1.652 -10.553 4.782 1.00 0.00 H new ATOM 0 HB3 HIS A 66 3.393 -10.707 4.910 1.00 0.00 H new ATOM 0 HD1 HIS A 66 4.685 -8.228 5.473 1.00 0.00 H new ATOM 0 HD2 HIS A 66 0.553 -8.670 6.195 1.00 0.00 H new ATOM 0 HE1 HIS A 66 3.967 -6.280 6.986 1.00 0.00 H new ATOM 956 N ILE A 67 3.830 -11.190 1.585 1.00 0.00 N ATOM 957 CA ILE A 67 4.057 -12.492 0.987 1.00 0.00 C ATOM 958 C ILE A 67 4.568 -13.419 2.095 1.00 0.00 C ATOM 959 O ILE A 67 5.766 -13.461 2.372 1.00 0.00 O ATOM 960 CB ILE A 67 5.011 -12.368 -0.214 1.00 0.00 C ATOM 961 CG1 ILE A 67 4.527 -11.307 -1.225 1.00 0.00 C ATOM 962 CG2 ILE A 67 5.189 -13.732 -0.898 1.00 0.00 C ATOM 963 CD1 ILE A 67 3.119 -11.545 -1.784 1.00 0.00 C ATOM 0 H ILE A 67 4.536 -10.489 1.360 1.00 0.00 H new ATOM 0 HA ILE A 67 3.141 -12.921 0.579 1.00 0.00 H new ATOM 0 HB ILE A 67 5.978 -12.036 0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.551 -10.329 -0.743 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.231 -11.270 -2.056 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.866 -13.628 -1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.605 -14.445 -0.186 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.222 -14.092 -1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.867 -10.749 -2.485 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.090 -12.505 -2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.399 -11.550 -0.966 1.00 0.00 H new ATOM 975 N LYS A 68 3.647 -14.113 2.763 1.00 0.00 N ATOM 976 CA LYS A 68 3.907 -15.085 3.805 1.00 0.00 C ATOM 977 C LYS A 68 2.758 -16.084 3.732 1.00 0.00 C ATOM 978 O LYS A 68 1.634 -15.616 3.443 1.00 0.00 O ATOM 979 CB LYS A 68 3.955 -14.371 5.169 1.00 0.00 C ATOM 980 CG LYS A 68 4.293 -15.309 6.342 1.00 0.00 C ATOM 981 CD LYS A 68 3.142 -15.497 7.346 1.00 0.00 C ATOM 982 CE LYS A 68 1.974 -16.287 6.734 1.00 0.00 C ATOM 983 NZ LYS A 68 0.920 -16.630 7.705 1.00 0.00 N ATOM 984 OXT LYS A 68 3.004 -17.276 4.015 1.00 0.00 O ATOM 0 H LYS A 68 2.651 -14.001 2.576 1.00 0.00 H new ATOM 0 HA LYS A 68 4.863 -15.593 3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.697 -13.573 5.127 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.990 -13.900 5.357 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.577 -16.283 5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.161 -14.915 6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.511 -16.019 8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.787 -14.522 7.678 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.535 -15.702 5.926 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.360 -17.205 6.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.165 -17.161 7.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.325 -17.214 8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.525 -15.758 8.111 1.00 0.00 H new TER 998 LYS A 68 HETATM 999 FE HEC A 69 5.001 6.931 -4.471 1.00 0.00 FE HETATM 1000 CHA HEC A 69 7.723 6.829 -2.321 1.00 0.00 C HETATM 1001 CHB HEC A 69 6.662 9.154 -6.438 1.00 0.00 C HETATM 1002 CHC HEC A 69 2.385 6.867 -6.672 1.00 0.00 C HETATM 1003 CHD HEC A 69 3.173 5.125 -2.199 1.00 0.00 C HETATM 1004 NA HEC A 69 6.826 7.784 -4.411 1.00 0.00 N HETATM 1005 C1A HEC A 69 7.794 7.578 -3.470 1.00 0.00 C HETATM 1006 C2A HEC A 69 8.967 8.327 -3.857 1.00 0.00 C HETATM 1007 C3A HEC A 69 8.649 9.017 -4.996 1.00 0.00 C HETATM 1008 C4A HEC A 69 7.297 8.652 -5.339 1.00 0.00 C HETATM 1009 CMA HEC A 69 9.557 9.954 -5.761 1.00 0.00 C HETATM 1010 CAA HEC A 69 10.291 8.357 -3.133 1.00 0.00 C HETATM 1011 CBA HEC A 69 11.147 7.107 -3.383 1.00 0.00 C HETATM 1012 CGA HEC A 69 11.715 6.567 -2.069 1.00 0.00 C HETATM 1013 O1A HEC A 69 10.926 5.916 -1.350 1.00 0.00 O HETATM 1014 O2A HEC A 69 12.878 6.900 -1.750 1.00 0.00 O HETATM 1015 NB HEC A 69 4.635 7.772 -6.258 1.00 0.00 N HETATM 1016 C1B HEC A 69 5.427 8.708 -6.842 1.00 0.00 C HETATM 1017 C2B HEC A 69 4.750 9.215 -8.012 1.00 0.00 C HETATM 1018 C3B HEC A 69 3.545 8.559 -8.097 1.00 0.00 C HETATM 1019 C4B HEC A 69 3.498 7.621 -6.994 1.00 0.00 C HETATM 1020 CMB HEC A 69 5.213 10.341 -8.915 1.00 0.00 C HETATM 1021 CAB HEC A 69 2.345 9.039 -8.893 1.00 0.00 C HETATM 1022 CBB HEC A 69 2.590 9.293 -10.387 1.00 0.00 C HETATM 1023 NC HEC A 69 3.157 6.126 -4.457 1.00 0.00 N HETATM 1024 C1C HEC A 69 2.257 6.219 -5.465 1.00 0.00 C HETATM 1025 C2C HEC A 69 1.029 5.587 -5.049 1.00 0.00 C HETATM 1026 C3C HEC A 69 1.221 5.136 -3.762 1.00 0.00 C HETATM 1027 C4C HEC A 69 2.594 5.453 -3.410 1.00 0.00 C HETATM 1028 CMC HEC A 69 -0.259 5.604 -5.844 1.00 0.00 C HETATM 1029 CAC HEC A 69 0.153 4.573 -2.830 1.00 0.00 C HETATM 1030 CBC HEC A 69 -0.366 3.183 -3.217 1.00 0.00 C HETATM 1031 ND HEC A 69 5.376 6.161 -2.599 1.00 0.00 N HETATM 1032 C1D HEC A 69 4.472 5.455 -1.879 1.00 0.00 C HETATM 1033 C2D HEC A 69 5.099 5.059 -0.642 1.00 0.00 C HETATM 1034 C3D HEC A 69 6.411 5.476 -0.682 1.00 0.00 C HETATM 1035 C4D HEC A 69 6.562 6.209 -1.921 1.00 0.00 C HETATM 1036 CMD HEC A 69 4.414 4.315 0.476 1.00 0.00 C HETATM 1037 CAD HEC A 69 7.468 5.253 0.390 1.00 0.00 C HETATM 1038 CBD HEC A 69 7.730 3.793 0.765 1.00 0.00 C HETATM 1039 CGD HEC A 69 8.948 3.630 1.670 1.00 0.00 C HETATM 1040 O1D HEC A 69 9.723 2.674 1.473 1.00 0.00 O HETATM 1041 O2D HEC A 69 9.103 4.483 2.573 1.00 0.00 O HETATM 0 HMD3 HEC A 69 3.574 4.904 0.843 1.00 0.00 H new HETATM 0 HMD2 HEC A 69 4.051 3.356 0.106 1.00 0.00 H new HETATM 0 HMD1 HEC A 69 5.121 4.146 1.288 1.00 0.00 H new HETATM 0 HMC3 HEC A 69 -0.584 6.634 -5.988 1.00 0.00 H new HETATM 0 HMC2 HEC A 69 -0.094 5.137 -6.815 1.00 0.00 H new HETATM 0 HMC1 HEC A 69 -1.028 5.053 -5.303 1.00 0.00 H new HETATM 0 HMB3 HEC A 69 5.306 11.258 -8.334 1.00 0.00 H new HETATM 0 HMB2 HEC A 69 6.180 10.086 -9.348 1.00 0.00 H new HETATM 0 HMB1 HEC A 69 4.486 10.489 -9.713 1.00 0.00 H new HETATM 0 HMA3 HEC A 69 9.863 10.774 -5.112 1.00 0.00 H new HETATM 0 HMA2 HEC A 69 10.439 9.410 -6.099 1.00 0.00 H new HETATM 0 HMA1 HEC A 69 9.024 10.353 -6.624 1.00 0.00 H new HETATM 0 HBD2 HEC A 69 6.852 3.387 1.267 1.00 0.00 H new HETATM 0 HBD1 HEC A 69 7.876 3.209 -0.144 1.00 0.00 H new HETATM 0 HBC3 HEC A 69 -0.807 3.224 -4.213 1.00 0.00 H new HETATM 0 HBC2 HEC A 69 0.460 2.472 -3.215 1.00 0.00 H new HETATM 0 HBC1 HEC A 69 -1.121 2.864 -2.499 1.00 0.00 H new HETATM 0 HBB3 HEC A 69 3.358 10.058 -10.505 1.00 0.00 H new HETATM 0 HBB2 HEC A 69 2.921 8.370 -10.864 1.00 0.00 H new HETATM 0 HBB1 HEC A 69 1.666 9.632 -10.855 1.00 0.00 H new HETATM 0 HBA2 HEC A 69 10.544 6.339 -3.867 1.00 0.00 H new HETATM 0 HBA1 HEC A 69 11.962 7.349 -4.065 1.00 0.00 H new HETATM 0 HAD2 HEC A 69 8.404 5.696 0.050 1.00 0.00 H new HETATM 0 HAD1 HEC A 69 7.168 5.792 1.289 1.00 0.00 H new HETATM 0 HAA2 HEC A 69 10.849 9.240 -3.446 1.00 0.00 H new HETATM 0 HAA1 HEC A 69 10.110 8.457 -2.063 1.00 0.00 H new HETATM 0 HHD HEC A 69 2.577 4.582 -1.466 1.00 0.00 H new HETATM 0 HHC HEC A 69 1.579 6.783 -7.401 1.00 0.00 H new HETATM 0 HHB HEC A 69 7.153 9.937 -7.016 1.00 0.00 H new HETATM 0 HHA HEC A 69 8.616 6.722 -1.706 1.00 0.00 H new HETATM 0 H2D HEC A 69 9.191 4.031 3.438 1.00 0.00 H new HETATM 0 H2A HEC A 69 13.076 6.573 -0.848 1.00 0.00 H new HETATM 1074 FE HEC A 70 -3.069 -1.421 -3.430 1.00 0.00 FE HETATM 1075 CHA HEC A 70 -3.508 -3.780 -5.887 1.00 0.00 C HETATM 1076 CHB HEC A 70 -0.722 -3.412 -1.886 1.00 0.00 C HETATM 1077 CHC HEC A 70 -2.552 1.013 -1.075 1.00 0.00 C HETATM 1078 CHD HEC A 70 -5.656 0.405 -4.745 1.00 0.00 C HETATM 1079 NA HEC A 70 -2.308 -3.245 -3.783 1.00 0.00 N HETATM 1080 C1A HEC A 70 -2.627 -4.033 -4.855 1.00 0.00 C HETATM 1081 C2A HEC A 70 -1.856 -5.250 -4.761 1.00 0.00 C HETATM 1082 C3A HEC A 70 -1.088 -5.163 -3.624 1.00 0.00 C HETATM 1083 C4A HEC A 70 -1.366 -3.882 -3.016 1.00 0.00 C HETATM 1084 CMA HEC A 70 -0.099 -6.200 -3.146 1.00 0.00 C HETATM 1085 CAA HEC A 70 -1.871 -6.395 -5.747 1.00 0.00 C HETATM 1086 CBA HEC A 70 -1.018 -6.126 -6.992 1.00 0.00 C HETATM 1087 CGA HEC A 70 -1.173 -7.253 -8.016 1.00 0.00 C HETATM 1088 O1A HEC A 70 -0.647 -8.352 -7.735 1.00 0.00 O HETATM 1089 O2A HEC A 70 -1.852 -7.009 -9.037 1.00 0.00 O HETATM 1090 NB HEC A 70 -1.810 -1.195 -1.871 1.00 0.00 N HETATM 1091 C1B HEC A 70 -0.951 -2.144 -1.406 1.00 0.00 C HETATM 1092 C2B HEC A 70 -0.291 -1.627 -0.233 1.00 0.00 C HETATM 1093 C3B HEC A 70 -0.813 -0.377 0.013 1.00 0.00 C HETATM 1094 C4B HEC A 70 -1.755 -0.105 -1.050 1.00 0.00 C HETATM 1095 CMB HEC A 70 0.694 -2.394 0.615 1.00 0.00 C HETATM 1096 CAB HEC A 70 -0.562 0.501 1.231 1.00 0.00 C HETATM 1097 CBB HEC A 70 0.802 1.182 1.216 1.00 0.00 C HETATM 1098 NC HEC A 70 -3.899 0.374 -3.027 1.00 0.00 N HETATM 1099 C1C HEC A 70 -3.530 1.206 -2.019 1.00 0.00 C HETATM 1100 C2C HEC A 70 -4.359 2.386 -2.077 1.00 0.00 C HETATM 1101 C3C HEC A 70 -5.315 2.160 -3.038 1.00 0.00 C HETATM 1102 C4C HEC A 70 -4.965 0.913 -3.678 1.00 0.00 C HETATM 1103 CMC HEC A 70 -4.199 3.637 -1.239 1.00 0.00 C HETATM 1104 CAC HEC A 70 -6.643 2.890 -3.186 1.00 0.00 C HETATM 1105 CBC HEC A 70 -6.601 4.238 -3.892 1.00 0.00 C HETATM 1106 ND HEC A 70 -4.348 -1.652 -5.000 1.00 0.00 N HETATM 1107 C1D HEC A 70 -5.304 -0.762 -5.355 1.00 0.00 C HETATM 1108 C2D HEC A 70 -5.939 -1.231 -6.560 1.00 0.00 C HETATM 1109 C3D HEC A 70 -5.286 -2.378 -6.933 1.00 0.00 C HETATM 1110 C4D HEC A 70 -4.307 -2.665 -5.907 1.00 0.00 C HETATM 1111 CMD HEC A 70 -7.024 -0.520 -7.341 1.00 0.00 C HETATM 1112 CAD HEC A 70 -5.503 -3.098 -8.243 1.00 0.00 C HETATM 1113 CBD HEC A 70 -6.768 -3.964 -8.307 1.00 0.00 C HETATM 1114 CGD HEC A 70 -7.396 -3.893 -9.703 1.00 0.00 C HETATM 1115 O1D HEC A 70 -8.590 -3.540 -9.797 1.00 0.00 O HETATM 1116 O2D HEC A 70 -6.647 -4.071 -10.693 1.00 0.00 O HETATM 0 HMD3 HEC A 70 -7.896 -0.374 -6.703 1.00 0.00 H new HETATM 0 HMD2 HEC A 70 -6.655 0.449 -7.677 1.00 0.00 H new HETATM 0 HMD1 HEC A 70 -7.304 -1.122 -8.206 1.00 0.00 H new HETATM 0 HMC3 HEC A 70 -4.291 3.382 -0.183 1.00 0.00 H new HETATM 0 HMC2 HEC A 70 -3.218 4.075 -1.423 1.00 0.00 H new HETATM 0 HMC1 HEC A 70 -4.973 4.356 -1.507 1.00 0.00 H new HETATM 0 HMB3 HEC A 70 0.211 -3.284 1.018 1.00 0.00 H new HETATM 0 HMB2 HEC A 70 1.547 -2.689 0.004 1.00 0.00 H new HETATM 0 HMB1 HEC A 70 1.036 -1.763 1.436 1.00 0.00 H new HETATM 0 HMA3 HEC A 70 -0.617 -7.143 -2.972 1.00 0.00 H new HETATM 0 HMA2 HEC A 70 0.672 -6.344 -3.903 1.00 0.00 H new HETATM 0 HMA1 HEC A 70 0.362 -5.862 -2.218 1.00 0.00 H new HETATM 0 HBD2 HEC A 70 -6.521 -4.998 -8.065 1.00 0.00 H new HETATM 0 HBD1 HEC A 70 -7.486 -3.625 -7.561 1.00 0.00 H new HETATM 0 HBC3 HEC A 70 -5.948 4.916 -3.343 1.00 0.00 H new HETATM 0 HBC2 HEC A 70 -6.219 4.107 -4.904 1.00 0.00 H new HETATM 0 HBC1 HEC A 70 -7.606 4.658 -3.935 1.00 0.00 H new HETATM 0 HBB3 HEC A 70 1.586 0.425 1.191 1.00 0.00 H new HETATM 0 HBB2 HEC A 70 0.882 1.817 0.333 1.00 0.00 H new HETATM 0 HBB1 HEC A 70 0.914 1.792 2.113 1.00 0.00 H new HETATM 0 HBA2 HEC A 70 -1.313 -5.178 -7.442 1.00 0.00 H new HETATM 0 HBA1 HEC A 70 0.030 -6.031 -6.706 1.00 0.00 H new HETATM 0 HAD2 HEC A 70 -5.546 -2.359 -9.043 1.00 0.00 H new HETATM 0 HAD1 HEC A 70 -4.638 -3.731 -8.440 1.00 0.00 H new HETATM 0 HAA2 HEC A 70 -1.509 -7.297 -5.253 1.00 0.00 H new HETATM 0 HAA1 HEC A 70 -2.899 -6.590 -6.053 1.00 0.00 H new HETATM 0 HHD HEC A 70 -6.520 0.954 -5.121 1.00 0.00 H new HETATM 0 HHC HEC A 70 -2.402 1.779 -0.314 1.00 0.00 H new HETATM 0 HHB HEC A 70 -0.018 -4.061 -1.365 1.00 0.00 H new HETATM 0 HHA HEC A 70 -3.571 -4.489 -6.713 1.00 0.00 H new HETATM 0 H2D HEC A 70 -7.031 -4.760 -11.274 1.00 0.00 H new HETATM 0 H2A HEC A 70 -1.716 -7.720 -9.698 1.00 0.00 H new HETATM 1149 FE HEC A 71 0.916 -5.990 7.915 1.00 0.00 FE HETATM 1150 CHA HEC A 71 3.600 -4.131 8.825 1.00 0.00 C HETATM 1151 CHB HEC A 71 1.352 -8.039 10.629 1.00 0.00 C HETATM 1152 CHC HEC A 71 -1.981 -7.609 7.154 1.00 0.00 C HETATM 1153 CHD HEC A 71 0.659 -4.230 4.943 1.00 0.00 C HETATM 1154 NA HEC A 71 2.257 -6.106 9.400 1.00 0.00 N HETATM 1155 C1A HEC A 71 3.276 -5.219 9.593 1.00 0.00 C HETATM 1156 C2A HEC A 71 3.988 -5.617 10.792 1.00 0.00 C HETATM 1157 C3A HEC A 71 3.342 -6.718 11.296 1.00 0.00 C HETATM 1158 C4A HEC A 71 2.249 -7.022 10.403 1.00 0.00 C HETATM 1159 CMA HEC A 71 3.684 -7.419 12.592 1.00 0.00 C HETATM 1160 CAA HEC A 71 5.117 -4.897 11.500 1.00 0.00 C HETATM 1161 CBA HEC A 71 6.412 -5.700 11.701 1.00 0.00 C HETATM 1162 CGA HEC A 71 7.274 -5.160 12.854 1.00 0.00 C HETATM 1163 O1A HEC A 71 8.422 -5.641 12.995 1.00 0.00 O HETATM 1164 O2A HEC A 71 6.786 -4.305 13.634 1.00 0.00 O HETATM 1165 NB HEC A 71 -0.098 -7.539 8.709 1.00 0.00 N HETATM 1166 C1B HEC A 71 0.245 -8.211 9.831 1.00 0.00 C HETATM 1167 C2B HEC A 71 -0.785 -9.182 10.119 1.00 0.00 C HETATM 1168 C3B HEC A 71 -1.797 -8.978 9.212 1.00 0.00 C HETATM 1169 C4B HEC A 71 -1.300 -7.997 8.271 1.00 0.00 C HETATM 1170 CMB HEC A 71 -0.768 -10.187 11.246 1.00 0.00 C HETATM 1171 CAB HEC A 71 -3.249 -9.419 9.352 1.00 0.00 C HETATM 1172 CBB HEC A 71 -3.882 -8.968 10.668 1.00 0.00 C HETATM 1173 NC HEC A 71 -0.390 -5.951 6.353 1.00 0.00 N HETATM 1174 C1C HEC A 71 -1.507 -6.693 6.276 1.00 0.00 C HETATM 1175 C2C HEC A 71 -2.153 -6.448 5.016 1.00 0.00 C HETATM 1176 C3C HEC A 71 -1.460 -5.436 4.399 1.00 0.00 C HETATM 1177 C4C HEC A 71 -0.301 -5.168 5.235 1.00 0.00 C HETATM 1178 CMC HEC A 71 -3.281 -7.281 4.455 1.00 0.00 C HETATM 1179 CAC HEC A 71 -1.884 -4.705 3.135 1.00 0.00 C HETATM 1180 CBC HEC A 71 -3.359 -4.272 3.145 1.00 0.00 C HETATM 1181 ND HEC A 71 1.926 -4.464 7.064 1.00 0.00 N HETATM 1182 C1D HEC A 71 1.653 -3.912 5.850 1.00 0.00 C HETATM 1183 C2D HEC A 71 2.597 -2.848 5.625 1.00 0.00 C HETATM 1184 C3D HEC A 71 3.440 -2.792 6.713 1.00 0.00 C HETATM 1185 C4D HEC A 71 2.991 -3.824 7.629 1.00 0.00 C HETATM 1186 CMD HEC A 71 2.604 -1.966 4.402 1.00 0.00 C HETATM 1187 CAD HEC A 71 4.566 -1.784 6.912 1.00 0.00 C HETATM 1188 CBD HEC A 71 5.904 -2.281 7.487 1.00 0.00 C HETATM 1189 CGD HEC A 71 6.304 -1.624 8.829 1.00 0.00 C HETATM 1190 O1D HEC A 71 5.420 -1.511 9.713 1.00 0.00 O HETATM 1191 O2D HEC A 71 7.484 -1.242 8.971 1.00 0.00 O HETATM 0 HMD3 HEC A 71 2.746 -2.579 3.512 1.00 0.00 H new HETATM 0 HMD2 HEC A 71 1.654 -1.437 4.330 1.00 0.00 H new HETATM 0 HMD1 HEC A 71 3.417 -1.244 4.479 1.00 0.00 H new HETATM 0 HMC3 HEC A 71 -2.946 -8.311 4.330 1.00 0.00 H new HETATM 0 HMC2 HEC A 71 -4.128 -7.256 5.141 1.00 0.00 H new HETATM 0 HMC1 HEC A 71 -3.585 -6.878 3.489 1.00 0.00 H new HETATM 0 HMB3 HEC A 71 0.099 -10.839 11.139 1.00 0.00 H new HETATM 0 HMB2 HEC A 71 -0.713 -9.663 12.200 1.00 0.00 H new HETATM 0 HMB1 HEC A 71 -1.678 -10.786 11.213 1.00 0.00 H new HETATM 0 HMA3 HEC A 71 4.711 -7.782 12.549 1.00 0.00 H new HETATM 0 HMA2 HEC A 71 3.581 -6.720 13.422 1.00 0.00 H new HETATM 0 HMA1 HEC A 71 3.007 -8.260 12.740 1.00 0.00 H new HETATM 0 HBD2 HEC A 71 5.847 -3.360 7.627 1.00 0.00 H new HETATM 0 HBD1 HEC A 71 6.691 -2.096 6.756 1.00 0.00 H new HETATM 0 HBC3 HEC A 71 -3.996 -5.151 3.243 1.00 0.00 H new HETATM 0 HBC2 HEC A 71 -3.535 -3.601 3.985 1.00 0.00 H new HETATM 0 HBC1 HEC A 71 -3.593 -3.757 2.214 1.00 0.00 H new HETATM 0 HBB3 HEC A 71 -3.324 -9.391 11.504 1.00 0.00 H new HETATM 0 HBB2 HEC A 71 -3.858 -7.880 10.729 1.00 0.00 H new HETATM 0 HBB1 HEC A 71 -4.916 -9.311 10.711 1.00 0.00 H new HETATM 0 HBA2 HEC A 71 6.161 -6.742 11.898 1.00 0.00 H new HETATM 0 HBA1 HEC A 71 6.993 -5.681 10.779 1.00 0.00 H new HETATM 0 HAD2 HEC A 71 4.772 -1.322 5.946 1.00 0.00 H new HETATM 0 HAD1 HEC A 71 4.195 -0.998 7.569 1.00 0.00 H new HETATM 0 HAA2 HEC A 71 5.356 -3.996 10.935 1.00 0.00 H new HETATM 0 HAA1 HEC A 71 4.758 -4.575 12.477 1.00 0.00 H new HETATM 0 HHD HEC A 71 0.637 -3.726 3.977 1.00 0.00 H new HETATM 0 HHC HEC A 71 -2.955 -8.058 6.959 1.00 0.00 H new HETATM 0 HHB HEC A 71 1.522 -8.724 11.459 1.00 0.00 H new HETATM 0 HHA HEC A 71 4.388 -3.468 9.183 1.00 0.00 H new HETATM 0 H2D HEC A 71 7.544 -0.646 9.746 1.00 0.00 H new HETATM 0 H2A HEC A 71 6.623 -4.715 14.509 1.00 0.00 H new