USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 797 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 96 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 89 LYS NZ :NH3+ -165:sc= -0.498 (180deg=-0.77) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -55:sc= -0.129 USER MOD Single : A 36 TYR OH : rot 137:sc= 0.61 USER MOD Single : A 38 SER OG : rot 176:sc= -0.84 USER MOD Single : A 40 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.103) USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= 0.801 (180deg=0.665) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 38:sc= 0.759 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 156:sc= -0.0785 (180deg=-0.471) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= -0.569 (180deg=-0.569) USER MOD Single : A 79 ASN : amide:sc= -0.332 K(o=-0.33,f=-2.9) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -70:sc= 0.175 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -7.53! C(o=-7.5!,f=-10!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -79:sc= 0.978 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl -148:sc= -0.19 (180deg=-0.928) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 40:sc= 0.0582 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 6.815 8.998 -5.246 1.00 0.00 N ATOM 2 CA MET A 23 6.358 7.635 -5.033 1.00 0.00 C ATOM 3 C MET A 23 6.693 7.159 -3.619 1.00 0.00 C ATOM 4 O MET A 23 7.490 7.786 -2.921 1.00 0.00 O ATOM 5 CB MET A 23 7.020 6.708 -6.055 1.00 0.00 C ATOM 6 CG MET A 23 5.974 5.868 -6.791 1.00 0.00 C ATOM 7 SD MET A 23 6.737 4.408 -7.479 1.00 0.00 S ATOM 8 CE MET A 23 7.162 5.015 -9.102 1.00 0.00 C ATOM 0 HA MET A 23 5.275 7.612 -5.157 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.588 7.299 -6.773 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.729 6.052 -5.550 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.177 5.583 -6.105 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.516 6.457 -7.585 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.651 4.224 -9.670 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.257 5.328 -9.622 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.838 5.865 -9.007 1.00 0.00 H new ATOM 18 N ARG A 24 6.069 6.054 -3.237 1.00 0.00 N ATOM 19 CA ARG A 24 6.292 5.488 -1.918 1.00 0.00 C ATOM 20 C ARG A 24 6.905 4.091 -2.037 1.00 0.00 C ATOM 21 O ARG A 24 6.787 3.444 -3.077 1.00 0.00 O ATOM 22 CB ARG A 24 4.984 5.397 -1.129 1.00 0.00 C ATOM 23 CG ARG A 24 4.350 6.779 -0.958 1.00 0.00 C ATOM 24 CD ARG A 24 4.707 7.380 0.402 1.00 0.00 C ATOM 25 NE ARG A 24 5.650 8.507 0.226 1.00 0.00 N ATOM 26 CZ ARG A 24 5.287 9.741 -0.150 1.00 0.00 C ATOM 27 NH1 ARG A 24 3.998 10.013 -0.392 1.00 0.00 N ATOM 28 NH2 ARG A 24 6.213 10.700 -0.284 1.00 0.00 N ATOM 0 H ARG A 24 5.410 5.536 -3.818 1.00 0.00 H new ATOM 0 HA ARG A 24 6.979 6.147 -1.387 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.289 4.735 -1.646 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.175 4.957 -0.150 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.692 7.441 -1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.267 6.701 -1.052 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.804 7.726 0.904 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.154 6.617 1.040 1.00 0.00 H new ATOM 0 HE ARG A 24 6.640 8.333 0.402 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.295 9.281 -0.290 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.720 10.952 -0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.194 10.491 -0.100 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.937 11.639 -0.570 1.00 0.00 H new ATOM 42 N GLU A 25 7.547 3.666 -0.958 1.00 0.00 N ATOM 43 CA GLU A 25 8.177 2.358 -0.928 1.00 0.00 C ATOM 44 C GLU A 25 7.941 1.685 0.424 1.00 0.00 C ATOM 45 O GLU A 25 8.344 2.210 1.461 1.00 0.00 O ATOM 46 CB GLU A 25 9.673 2.465 -1.235 1.00 0.00 C ATOM 47 CG GLU A 25 9.947 3.567 -2.259 1.00 0.00 C ATOM 48 CD GLU A 25 10.146 4.919 -1.569 1.00 0.00 C ATOM 49 OE1 GLU A 25 11.102 5.011 -0.769 1.00 0.00 O ATOM 50 OE2 GLU A 25 9.338 5.827 -1.857 1.00 0.00 O ATOM 0 H GLU A 25 7.644 4.206 -0.098 1.00 0.00 H new ATOM 0 HA GLU A 25 7.723 1.739 -1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.222 2.673 -0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.038 1.511 -1.616 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.835 3.317 -2.839 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.115 3.632 -2.961 1.00 0.00 H new ATOM 57 N TYR A 26 7.290 0.532 0.370 1.00 0.00 N ATOM 58 CA TYR A 26 6.995 -0.219 1.578 1.00 0.00 C ATOM 59 C TYR A 26 7.544 -1.645 1.486 1.00 0.00 C ATOM 60 O TYR A 26 7.519 -2.255 0.418 1.00 0.00 O ATOM 61 CB TYR A 26 5.470 -0.278 1.676 1.00 0.00 C ATOM 62 CG TYR A 26 4.792 1.094 1.662 1.00 0.00 C ATOM 63 CD1 TYR A 26 5.109 2.031 2.623 1.00 0.00 C ATOM 64 CD2 TYR A 26 3.863 1.394 0.686 1.00 0.00 C ATOM 65 CE1 TYR A 26 4.471 3.321 2.609 1.00 0.00 C ATOM 66 CE2 TYR A 26 3.224 2.685 0.672 1.00 0.00 C ATOM 67 CZ TYR A 26 3.560 3.584 1.635 1.00 0.00 C ATOM 68 OH TYR A 26 2.957 4.804 1.621 1.00 0.00 O ATOM 0 H TYR A 26 6.958 0.100 -0.492 1.00 0.00 H new ATOM 0 HA TYR A 26 7.452 0.256 2.446 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.085 -0.870 0.846 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.195 -0.799 2.593 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.836 1.797 3.386 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.615 0.661 -0.067 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.711 4.064 3.356 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.495 2.933 -0.086 1.00 0.00 H new ATOM 0 HH TYR A 26 2.331 4.851 0.869 1.00 0.00 H new ATOM 78 N PRO A 27 8.040 -2.146 2.648 1.00 0.00 N ATOM 79 CA PRO A 27 8.593 -3.489 2.709 1.00 0.00 C ATOM 80 C PRO A 27 7.484 -4.540 2.686 1.00 0.00 C ATOM 81 O PRO A 27 6.305 -4.208 2.799 1.00 0.00 O ATOM 82 CB PRO A 27 9.415 -3.517 3.988 1.00 0.00 C ATOM 83 CG PRO A 27 8.918 -2.352 4.829 1.00 0.00 C ATOM 84 CD PRO A 27 8.085 -1.451 3.932 1.00 0.00 C ATOM 0 HA PRO A 27 9.215 -3.728 1.847 1.00 0.00 H new ATOM 0 HB2 PRO A 27 9.285 -4.462 4.515 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.478 -3.416 3.771 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.322 -2.713 5.667 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.758 -1.800 5.250 1.00 0.00 H new ATOM 0 HD2 PRO A 27 7.084 -1.304 4.338 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.537 -0.464 3.833 1.00 0.00 H new ATOM 92 N VAL A 28 7.900 -5.791 2.543 1.00 0.00 N ATOM 93 CA VAL A 28 6.954 -6.894 2.506 1.00 0.00 C ATOM 94 C VAL A 28 7.320 -7.910 3.589 1.00 0.00 C ATOM 95 O VAL A 28 8.469 -8.344 3.676 1.00 0.00 O ATOM 96 CB VAL A 28 6.917 -7.503 1.103 1.00 0.00 C ATOM 97 CG1 VAL A 28 6.503 -8.976 1.156 1.00 0.00 C ATOM 98 CG2 VAL A 28 5.993 -6.706 0.182 1.00 0.00 C ATOM 0 H VAL A 28 8.878 -6.065 2.452 1.00 0.00 H new ATOM 0 HA VAL A 28 5.945 -6.540 2.720 1.00 0.00 H new ATOM 0 HB VAL A 28 7.924 -7.452 0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.484 -9.385 0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.219 -9.534 1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.511 -9.059 1.600 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.986 -7.161 -0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.982 -6.709 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.351 -5.679 0.107 1.00 0.00 H new ATOM 108 N LYS A 29 6.323 -8.260 4.388 1.00 0.00 N ATOM 109 CA LYS A 29 6.525 -9.216 5.463 1.00 0.00 C ATOM 110 C LYS A 29 6.708 -10.614 4.868 1.00 0.00 C ATOM 111 O LYS A 29 6.120 -10.935 3.836 1.00 0.00 O ATOM 112 CB LYS A 29 5.388 -9.125 6.482 1.00 0.00 C ATOM 113 CG LYS A 29 5.686 -9.984 7.714 1.00 0.00 C ATOM 114 CD LYS A 29 6.055 -9.111 8.914 1.00 0.00 C ATOM 115 CE LYS A 29 7.451 -8.507 8.746 1.00 0.00 C ATOM 116 NZ LYS A 29 8.234 -8.658 9.992 1.00 0.00 N ATOM 0 H LYS A 29 5.372 -7.898 4.312 1.00 0.00 H new ATOM 0 HA LYS A 29 7.435 -8.982 6.015 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.247 -8.087 6.783 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.456 -9.453 6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.815 -10.593 7.957 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.504 -10.671 7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.321 -8.313 9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.020 -9.707 9.826 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.969 -8.998 7.922 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.368 -7.451 8.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.179 -8.243 9.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.746 -8.170 10.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.329 -9.668 10.222 1.00 0.00 H new ATOM 130 N LYS A 30 7.526 -11.407 5.545 1.00 0.00 N ATOM 131 CA LYS A 30 7.792 -12.764 5.096 1.00 0.00 C ATOM 132 C LYS A 30 6.512 -13.594 5.202 1.00 0.00 C ATOM 133 O LYS A 30 6.117 -13.996 6.294 1.00 0.00 O ATOM 134 CB LYS A 30 8.976 -13.358 5.862 1.00 0.00 C ATOM 135 CG LYS A 30 10.286 -13.138 5.104 1.00 0.00 C ATOM 136 CD LYS A 30 11.437 -12.855 6.072 1.00 0.00 C ATOM 137 CE LYS A 30 12.501 -13.951 5.994 1.00 0.00 C ATOM 138 NZ LYS A 30 13.322 -13.966 7.226 1.00 0.00 N ATOM 0 H LYS A 30 8.013 -11.137 6.400 1.00 0.00 H new ATOM 0 HA LYS A 30 8.086 -12.767 4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.042 -12.900 6.849 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.816 -14.425 6.016 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.517 -14.020 4.506 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.174 -12.303 4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.886 -11.890 5.837 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.053 -12.788 7.090 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.023 -14.921 5.857 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.140 -13.785 5.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.039 -14.716 7.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.793 -13.046 7.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.711 -14.147 8.048 1.00 0.00 H new ATOM 152 N GLY A 31 5.896 -13.823 4.051 1.00 0.00 N ATOM 153 CA GLY A 31 4.668 -14.598 4.000 1.00 0.00 C ATOM 154 C GLY A 31 3.506 -13.749 3.480 1.00 0.00 C ATOM 155 O GLY A 31 2.652 -14.243 2.747 1.00 0.00 O ATOM 0 H GLY A 31 6.225 -13.485 3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.807 -15.465 3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.431 -14.976 4.994 1.00 0.00 H new ATOM 159 N PHE A 32 3.512 -12.487 3.882 1.00 0.00 N ATOM 160 CA PHE A 32 2.469 -11.564 3.465 1.00 0.00 C ATOM 161 C PHE A 32 2.257 -11.622 1.951 1.00 0.00 C ATOM 162 O PHE A 32 3.133 -12.075 1.216 1.00 0.00 O ATOM 163 CB PHE A 32 2.936 -10.159 3.849 1.00 0.00 C ATOM 164 CG PHE A 32 2.225 -9.580 5.074 1.00 0.00 C ATOM 165 CD1 PHE A 32 2.291 -10.227 6.268 1.00 0.00 C ATOM 166 CD2 PHE A 32 1.526 -8.418 4.969 1.00 0.00 C ATOM 167 CE1 PHE A 32 1.632 -9.689 7.405 1.00 0.00 C ATOM 168 CE2 PHE A 32 0.866 -7.881 6.106 1.00 0.00 C ATOM 169 CZ PHE A 32 0.934 -8.528 7.300 1.00 0.00 C ATOM 0 H PHE A 32 4.222 -12.081 4.492 1.00 0.00 H new ATOM 0 HA PHE A 32 1.527 -11.826 3.946 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.008 -10.184 4.042 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.780 -9.491 3.002 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.845 -11.150 6.352 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.473 -7.904 4.021 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.686 -10.203 8.353 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.310 -6.959 6.022 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.433 -8.119 8.165 1.00 0.00 H new ATOM 179 N PRO A 33 1.059 -11.147 1.519 1.00 0.00 N ATOM 180 CA PRO A 33 0.721 -11.141 0.106 1.00 0.00 C ATOM 181 C PRO A 33 1.468 -10.028 -0.632 1.00 0.00 C ATOM 182 O PRO A 33 1.408 -8.866 -0.234 1.00 0.00 O ATOM 183 CB PRO A 33 -0.789 -10.972 0.063 1.00 0.00 C ATOM 184 CG PRO A 33 -1.186 -10.426 1.425 1.00 0.00 C ATOM 185 CD PRO A 33 -0.002 -10.604 2.362 1.00 0.00 C ATOM 0 HA PRO A 33 1.021 -12.058 -0.402 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.083 -10.288 -0.733 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.283 -11.923 -0.136 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.458 -9.373 1.350 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.059 -10.954 1.808 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.294 -9.656 2.810 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.243 -11.282 3.181 1.00 0.00 H new ATOM 193 N THR A 34 2.155 -10.423 -1.694 1.00 0.00 N ATOM 194 CA THR A 34 2.913 -9.474 -2.490 1.00 0.00 C ATOM 195 C THR A 34 2.703 -9.741 -3.981 1.00 0.00 C ATOM 196 O THR A 34 3.613 -9.546 -4.785 1.00 0.00 O ATOM 197 CB THR A 34 4.378 -9.557 -2.059 1.00 0.00 C ATOM 198 OG1 THR A 34 4.959 -8.359 -2.568 1.00 0.00 O ATOM 199 CG2 THR A 34 5.137 -10.675 -2.777 1.00 0.00 C ATOM 0 H THR A 34 2.202 -11.388 -2.021 1.00 0.00 H new ATOM 0 HA THR A 34 2.568 -8.454 -2.322 1.00 0.00 H new ATOM 0 HB THR A 34 4.431 -9.716 -0.982 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.799 -8.302 -3.533 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.172 -10.690 -2.435 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.667 -11.634 -2.556 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.113 -10.499 -3.852 1.00 0.00 H new ATOM 207 N ASP A 35 1.496 -10.183 -4.306 1.00 0.00 N ATOM 208 CA ASP A 35 1.155 -10.479 -5.687 1.00 0.00 C ATOM 209 C ASP A 35 -0.128 -9.736 -6.062 1.00 0.00 C ATOM 210 O ASP A 35 -0.960 -9.453 -5.201 1.00 0.00 O ATOM 211 CB ASP A 35 0.908 -11.977 -5.885 1.00 0.00 C ATOM 212 CG ASP A 35 1.951 -12.695 -6.744 1.00 0.00 C ATOM 213 OD1 ASP A 35 1.877 -12.531 -7.980 1.00 0.00 O ATOM 214 OD2 ASP A 35 2.796 -13.394 -6.144 1.00 0.00 O ATOM 0 H ASP A 35 0.743 -10.343 -3.637 1.00 0.00 H new ATOM 0 HA ASP A 35 1.989 -10.164 -6.314 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.872 -12.457 -4.907 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.072 -12.111 -6.342 1.00 0.00 H new ATOM 219 N TYR A 36 -0.250 -9.440 -7.348 1.00 0.00 N ATOM 220 CA TYR A 36 -1.419 -8.734 -7.846 1.00 0.00 C ATOM 221 C TYR A 36 -2.708 -9.419 -7.392 1.00 0.00 C ATOM 222 O TYR A 36 -3.571 -8.786 -6.786 1.00 0.00 O ATOM 223 CB TYR A 36 -1.331 -8.799 -9.372 1.00 0.00 C ATOM 224 CG TYR A 36 -0.468 -7.698 -9.994 1.00 0.00 C ATOM 225 CD1 TYR A 36 0.906 -7.743 -9.867 1.00 0.00 C ATOM 226 CD2 TYR A 36 -1.065 -6.660 -10.682 1.00 0.00 C ATOM 227 CE1 TYR A 36 1.717 -6.707 -10.452 1.00 0.00 C ATOM 228 CE2 TYR A 36 -0.253 -5.625 -11.267 1.00 0.00 C ATOM 229 CZ TYR A 36 1.097 -5.699 -11.123 1.00 0.00 C ATOM 230 OH TYR A 36 1.864 -4.721 -11.675 1.00 0.00 O ATOM 0 H TYR A 36 0.441 -9.676 -8.060 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.438 -7.711 -7.471 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.928 -9.769 -9.661 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.337 -8.736 -9.787 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.372 -8.555 -9.329 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.140 -6.625 -10.781 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.793 -6.730 -10.360 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.706 -4.808 -11.808 1.00 0.00 H new ATOM 0 HH TYR A 36 1.535 -4.517 -12.575 1.00 0.00 H new ATOM 240 N ASP A 37 -2.799 -10.705 -7.701 1.00 0.00 N ATOM 241 CA ASP A 37 -3.969 -11.482 -7.332 1.00 0.00 C ATOM 242 C ASP A 37 -4.138 -11.453 -5.812 1.00 0.00 C ATOM 243 O ASP A 37 -5.212 -11.133 -5.309 1.00 0.00 O ATOM 244 CB ASP A 37 -3.818 -12.942 -7.763 1.00 0.00 C ATOM 245 CG ASP A 37 -4.978 -13.495 -8.593 1.00 0.00 C ATOM 246 OD1 ASP A 37 -6.105 -13.510 -8.055 1.00 0.00 O ATOM 247 OD2 ASP A 37 -4.710 -13.893 -9.748 1.00 0.00 O ATOM 0 H ASP A 37 -2.081 -11.227 -8.203 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.834 -11.046 -7.831 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.899 -13.041 -8.340 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.703 -13.558 -6.871 1.00 0.00 H new ATOM 252 N SER A 38 -3.058 -11.791 -5.123 1.00 0.00 N ATOM 253 CA SER A 38 -3.071 -11.807 -3.669 1.00 0.00 C ATOM 254 C SER A 38 -3.634 -10.488 -3.137 1.00 0.00 C ATOM 255 O SER A 38 -4.562 -10.485 -2.331 1.00 0.00 O ATOM 256 CB SER A 38 -1.669 -12.051 -3.108 1.00 0.00 C ATOM 257 OG SER A 38 -1.673 -13.026 -2.068 1.00 0.00 O ATOM 0 H SER A 38 -2.168 -12.056 -5.544 1.00 0.00 H new ATOM 0 HA SER A 38 -3.711 -12.626 -3.341 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.009 -12.380 -3.911 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.263 -11.114 -2.726 1.00 0.00 H new ATOM 0 HG SER A 38 -0.753 -13.202 -1.781 1.00 0.00 H new ATOM 263 N ILE A 39 -3.050 -9.398 -3.611 1.00 0.00 N ATOM 264 CA ILE A 39 -3.481 -8.074 -3.193 1.00 0.00 C ATOM 265 C ILE A 39 -4.907 -7.827 -3.690 1.00 0.00 C ATOM 266 O ILE A 39 -5.737 -7.287 -2.961 1.00 0.00 O ATOM 267 CB ILE A 39 -2.478 -7.013 -3.651 1.00 0.00 C ATOM 268 CG1 ILE A 39 -1.174 -7.114 -2.857 1.00 0.00 C ATOM 269 CG2 ILE A 39 -3.088 -5.612 -3.576 1.00 0.00 C ATOM 270 CD1 ILE A 39 -0.037 -6.384 -3.575 1.00 0.00 C ATOM 0 H ILE A 39 -2.281 -9.404 -4.281 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.505 -8.007 -2.105 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.235 -7.202 -4.697 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.315 -6.688 -1.864 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.908 -8.162 -2.719 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.354 -4.877 -3.907 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.966 -5.563 -4.220 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.379 -5.396 -2.548 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.878 -6.471 -2.990 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.117 -6.829 -4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.296 -5.331 -3.690 1.00 0.00 H new ATOM 282 N LYS A 40 -5.146 -8.233 -4.927 1.00 0.00 N ATOM 283 CA LYS A 40 -6.457 -8.063 -5.532 1.00 0.00 C ATOM 284 C LYS A 40 -7.523 -8.643 -4.597 1.00 0.00 C ATOM 285 O LYS A 40 -8.514 -7.981 -4.295 1.00 0.00 O ATOM 286 CB LYS A 40 -6.481 -8.661 -6.938 1.00 0.00 C ATOM 287 CG LYS A 40 -6.241 -7.582 -7.997 1.00 0.00 C ATOM 288 CD LYS A 40 -6.705 -8.054 -9.377 1.00 0.00 C ATOM 289 CE LYS A 40 -5.972 -7.302 -10.488 1.00 0.00 C ATOM 290 NZ LYS A 40 -4.967 -8.175 -11.133 1.00 0.00 N ATOM 0 H LYS A 40 -4.454 -8.680 -5.528 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.684 -7.004 -5.659 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.717 -9.434 -7.021 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.442 -9.143 -7.116 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.775 -6.672 -7.722 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.181 -7.331 -8.032 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.526 -9.124 -9.478 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.779 -7.899 -9.476 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.688 -6.952 -11.231 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.484 -6.419 -10.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.324 -7.596 -11.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.421 -8.675 -10.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.448 -8.869 -11.740 1.00 0.00 H new ATOM 304 N ARG A 41 -7.282 -9.874 -4.169 1.00 0.00 N ATOM 305 CA ARG A 41 -8.208 -10.549 -3.278 1.00 0.00 C ATOM 306 C ARG A 41 -8.251 -9.844 -1.921 1.00 0.00 C ATOM 307 O ARG A 41 -9.295 -9.795 -1.275 1.00 0.00 O ATOM 308 CB ARG A 41 -7.806 -12.012 -3.071 1.00 0.00 C ATOM 309 CG ARG A 41 -8.365 -12.896 -4.188 1.00 0.00 C ATOM 310 CD ARG A 41 -7.549 -12.739 -5.473 1.00 0.00 C ATOM 311 NE ARG A 41 -8.080 -13.638 -6.522 1.00 0.00 N ATOM 312 CZ ARG A 41 -9.258 -13.461 -7.136 1.00 0.00 C ATOM 313 NH1 ARG A 41 -10.036 -12.421 -6.808 1.00 0.00 N ATOM 314 NH2 ARG A 41 -9.659 -14.328 -8.076 1.00 0.00 N ATOM 0 H ARG A 41 -6.459 -10.420 -4.423 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.195 -10.516 -3.740 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.719 -12.095 -3.046 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.174 -12.361 -2.107 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.354 -13.939 -3.871 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.405 -12.632 -4.379 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.588 -11.705 -5.815 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.502 -12.971 -5.279 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.514 -14.442 -6.794 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.732 -11.763 -6.090 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.932 -12.287 -7.276 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.068 -15.122 -8.323 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.555 -14.194 -8.544 1.00 0.00 H new ATOM 328 N LYS A 42 -7.101 -9.315 -1.528 1.00 0.00 N ATOM 329 CA LYS A 42 -6.992 -8.614 -0.260 1.00 0.00 C ATOM 330 C LYS A 42 -7.817 -7.328 -0.323 1.00 0.00 C ATOM 331 O LYS A 42 -8.500 -6.976 0.638 1.00 0.00 O ATOM 332 CB LYS A 42 -5.523 -8.388 0.102 1.00 0.00 C ATOM 333 CG LYS A 42 -5.394 -7.739 1.482 1.00 0.00 C ATOM 334 CD LYS A 42 -4.118 -8.201 2.188 1.00 0.00 C ATOM 335 CE LYS A 42 -4.436 -8.811 3.554 1.00 0.00 C ATOM 336 NZ LYS A 42 -3.209 -8.915 4.375 1.00 0.00 N ATOM 0 H LYS A 42 -6.236 -9.358 -2.066 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.405 -9.218 0.548 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.991 -9.340 0.092 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.053 -7.752 -0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.384 -6.654 1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.262 -7.993 2.090 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.602 -8.935 1.569 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.441 -7.356 2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.174 -8.197 4.070 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.878 -9.799 3.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.468 -9.103 5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.618 -9.693 4.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.678 -8.023 4.320 1.00 0.00 H new ATOM 350 N ILE A 43 -7.727 -6.658 -1.463 1.00 0.00 N ATOM 351 CA ILE A 43 -8.455 -5.419 -1.663 1.00 0.00 C ATOM 352 C ILE A 43 -9.955 -5.684 -1.516 1.00 0.00 C ATOM 353 O ILE A 43 -10.633 -5.020 -0.732 1.00 0.00 O ATOM 354 CB ILE A 43 -8.072 -4.780 -3.000 1.00 0.00 C ATOM 355 CG1 ILE A 43 -6.585 -4.418 -3.028 1.00 0.00 C ATOM 356 CG2 ILE A 43 -8.961 -3.574 -3.308 1.00 0.00 C ATOM 357 CD1 ILE A 43 -6.024 -4.517 -4.447 1.00 0.00 C ATOM 0 H ILE A 43 -7.160 -6.952 -2.258 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.182 -4.691 -0.899 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.241 -5.513 -3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.446 -3.406 -2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.032 -5.085 -2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.667 -3.140 -4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.002 -3.893 -3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.849 -2.829 -2.521 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.966 -4.255 -4.439 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.142 -5.536 -4.815 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.563 -3.831 -5.100 1.00 0.00 H new ATOM 369 N SER A 44 -10.428 -6.655 -2.283 1.00 0.00 N ATOM 370 CA SER A 44 -11.836 -7.017 -2.247 1.00 0.00 C ATOM 371 C SER A 44 -12.184 -7.634 -0.892 1.00 0.00 C ATOM 372 O SER A 44 -13.254 -7.374 -0.344 1.00 0.00 O ATOM 373 CB SER A 44 -12.184 -7.987 -3.378 1.00 0.00 C ATOM 374 OG SER A 44 -13.586 -8.227 -3.463 1.00 0.00 O ATOM 0 H SER A 44 -9.863 -7.202 -2.932 1.00 0.00 H new ATOM 0 HA SER A 44 -12.426 -6.111 -2.387 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.827 -7.582 -4.325 1.00 0.00 H new ATOM 0 HB3 SER A 44 -11.664 -8.931 -3.219 1.00 0.00 H new ATOM 0 HG SER A 44 -13.767 -8.850 -4.198 1.00 0.00 H new ATOM 380 N GLU A 45 -11.260 -8.440 -0.389 1.00 0.00 N ATOM 381 CA GLU A 45 -11.456 -9.097 0.892 1.00 0.00 C ATOM 382 C GLU A 45 -11.708 -8.058 1.987 1.00 0.00 C ATOM 383 O GLU A 45 -12.360 -8.353 2.988 1.00 0.00 O ATOM 384 CB GLU A 45 -10.261 -9.984 1.242 1.00 0.00 C ATOM 385 CG GLU A 45 -10.405 -11.372 0.614 1.00 0.00 C ATOM 386 CD GLU A 45 -10.523 -12.451 1.691 1.00 0.00 C ATOM 387 OE1 GLU A 45 -9.467 -12.812 2.253 1.00 0.00 O ATOM 388 OE2 GLU A 45 -11.669 -12.891 1.931 1.00 0.00 O ATOM 0 H GLU A 45 -10.373 -8.653 -0.846 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.333 -9.740 0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.341 -9.516 0.891 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.178 -10.078 2.325 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.286 -11.395 -0.027 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.543 -11.579 -0.021 1.00 0.00 H new ATOM 395 N LEU A 46 -11.176 -6.866 1.761 1.00 0.00 N ATOM 396 CA LEU A 46 -11.335 -5.783 2.716 1.00 0.00 C ATOM 397 C LEU A 46 -12.646 -5.046 2.433 1.00 0.00 C ATOM 398 O LEU A 46 -13.233 -4.446 3.332 1.00 0.00 O ATOM 399 CB LEU A 46 -10.105 -4.873 2.706 1.00 0.00 C ATOM 400 CG LEU A 46 -10.191 -3.639 1.806 1.00 0.00 C ATOM 401 CD1 LEU A 46 -10.551 -2.393 2.618 1.00 0.00 C ATOM 402 CD2 LEU A 46 -8.899 -3.450 1.008 1.00 0.00 C ATOM 0 H LEU A 46 -10.634 -6.626 0.930 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.403 -6.178 3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.915 -4.541 3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.243 -5.464 2.397 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.993 -3.797 1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.606 -1.530 1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.516 -2.541 3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.788 -2.220 3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.987 -2.566 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.062 -3.323 1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.726 -4.326 0.383 1.00 0.00 H new ATOM 414 N GLY A 47 -13.068 -5.117 1.179 1.00 0.00 N ATOM 415 CA GLY A 47 -14.299 -4.464 0.766 1.00 0.00 C ATOM 416 C GLY A 47 -14.013 -3.326 -0.215 1.00 0.00 C ATOM 417 O GLY A 47 -14.748 -2.339 -0.258 1.00 0.00 O ATOM 0 H GLY A 47 -12.580 -5.616 0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.963 -5.192 0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.819 -4.073 1.641 1.00 0.00 H new ATOM 421 N PHE A 48 -12.944 -3.499 -0.979 1.00 0.00 N ATOM 422 CA PHE A 48 -12.553 -2.499 -1.957 1.00 0.00 C ATOM 423 C PHE A 48 -12.568 -3.078 -3.371 1.00 0.00 C ATOM 424 O PHE A 48 -12.794 -4.274 -3.555 1.00 0.00 O ATOM 425 CB PHE A 48 -11.126 -2.069 -1.610 1.00 0.00 C ATOM 426 CG PHE A 48 -11.032 -1.148 -0.391 1.00 0.00 C ATOM 427 CD1 PHE A 48 -12.163 -0.631 0.159 1.00 0.00 C ATOM 428 CD2 PHE A 48 -9.818 -0.848 0.143 1.00 0.00 C ATOM 429 CE1 PHE A 48 -12.077 0.223 1.291 1.00 0.00 C ATOM 430 CE2 PHE A 48 -9.731 0.006 1.275 1.00 0.00 C ATOM 431 CZ PHE A 48 -10.863 0.522 1.824 1.00 0.00 C ATOM 0 H PHE A 48 -12.337 -4.317 -0.940 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.249 -1.661 -1.930 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.524 -2.959 -1.427 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.691 -1.561 -2.471 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -13.127 -0.870 -0.265 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.920 -1.259 -0.294 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.975 0.634 1.728 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.767 0.245 1.699 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.797 1.171 2.685 1.00 0.00 H new ATOM 441 N ASP A 49 -12.326 -2.205 -4.338 1.00 0.00 N ATOM 442 CA ASP A 49 -12.308 -2.616 -5.732 1.00 0.00 C ATOM 443 C ASP A 49 -10.886 -2.483 -6.280 1.00 0.00 C ATOM 444 O ASP A 49 -10.053 -1.794 -5.695 1.00 0.00 O ATOM 445 CB ASP A 49 -13.226 -1.732 -6.579 1.00 0.00 C ATOM 446 CG ASP A 49 -14.453 -2.439 -7.156 1.00 0.00 C ATOM 447 OD1 ASP A 49 -14.256 -3.234 -8.101 1.00 0.00 O ATOM 448 OD2 ASP A 49 -15.559 -2.171 -6.639 1.00 0.00 O ATOM 0 H ASP A 49 -12.141 -1.214 -4.184 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.654 -3.648 -5.784 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.562 -0.894 -5.969 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.645 -1.315 -7.402 1.00 0.00 H new ATOM 453 N VAL A 50 -10.652 -3.153 -7.399 1.00 0.00 N ATOM 454 CA VAL A 50 -9.345 -3.119 -8.034 1.00 0.00 C ATOM 455 C VAL A 50 -9.522 -3.069 -9.552 1.00 0.00 C ATOM 456 O VAL A 50 -10.236 -3.890 -10.126 1.00 0.00 O ATOM 457 CB VAL A 50 -8.506 -4.311 -7.568 1.00 0.00 C ATOM 458 CG1 VAL A 50 -9.299 -5.616 -7.677 1.00 0.00 C ATOM 459 CG2 VAL A 50 -7.195 -4.399 -8.353 1.00 0.00 C ATOM 0 H VAL A 50 -11.346 -3.723 -7.883 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.801 -2.221 -7.741 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.258 -4.156 -6.518 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.680 -6.447 -7.340 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.192 -5.552 -7.055 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.591 -5.779 -8.714 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.618 -5.254 -8.002 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.414 -4.519 -9.414 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.619 -3.486 -8.202 1.00 0.00 H new ATOM 469 N LYS A 51 -8.859 -2.097 -10.160 1.00 0.00 N ATOM 470 CA LYS A 51 -8.933 -1.930 -11.602 1.00 0.00 C ATOM 471 C LYS A 51 -7.593 -2.321 -12.228 1.00 0.00 C ATOM 472 O LYS A 51 -6.537 -2.078 -11.645 1.00 0.00 O ATOM 473 CB LYS A 51 -9.384 -0.509 -11.954 1.00 0.00 C ATOM 474 CG LYS A 51 -10.608 -0.103 -11.131 1.00 0.00 C ATOM 475 CD LYS A 51 -11.824 -0.956 -11.498 1.00 0.00 C ATOM 476 CE LYS A 51 -13.116 -0.142 -11.399 1.00 0.00 C ATOM 477 NZ LYS A 51 -14.285 -0.981 -11.743 1.00 0.00 N ATOM 0 H LYS A 51 -8.268 -1.417 -9.681 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.687 -2.595 -12.023 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.569 0.191 -11.770 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.620 -0.451 -13.017 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.389 -0.213 -10.069 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.833 0.950 -11.302 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.710 -1.341 -12.511 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.882 -1.818 -10.834 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.228 0.252 -10.389 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.065 0.715 -12.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -15.153 -0.413 -11.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.183 -1.336 -12.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.341 -1.785 -11.085 1.00 0.00 H new ATOM 491 N SER A 52 -7.678 -2.920 -13.405 1.00 0.00 N ATOM 492 CA SER A 52 -6.485 -3.349 -14.116 1.00 0.00 C ATOM 493 C SER A 52 -6.180 -2.378 -15.259 1.00 0.00 C ATOM 494 O SER A 52 -6.839 -2.410 -16.297 1.00 0.00 O ATOM 495 CB SER A 52 -6.646 -4.771 -14.656 1.00 0.00 C ATOM 496 OG SER A 52 -7.733 -4.875 -15.570 1.00 0.00 O ATOM 0 H SER A 52 -8.555 -3.119 -13.886 1.00 0.00 H new ATOM 0 HA SER A 52 -5.651 -3.349 -13.415 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.725 -5.077 -15.152 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.804 -5.459 -13.825 1.00 0.00 H new ATOM 0 HG SER A 52 -7.771 -4.069 -16.126 1.00 0.00 H new ATOM 502 N GLU A 53 -5.182 -1.537 -15.030 1.00 0.00 N ATOM 503 CA GLU A 53 -4.783 -0.561 -16.028 1.00 0.00 C ATOM 504 C GLU A 53 -3.516 -1.026 -16.750 1.00 0.00 C ATOM 505 O GLU A 53 -2.405 -0.782 -16.282 1.00 0.00 O ATOM 506 CB GLU A 53 -4.577 0.816 -15.394 1.00 0.00 C ATOM 507 CG GLU A 53 -5.877 1.624 -15.403 1.00 0.00 C ATOM 508 CD GLU A 53 -5.622 3.067 -15.842 1.00 0.00 C ATOM 509 OE1 GLU A 53 -5.535 3.281 -17.069 1.00 0.00 O ATOM 510 OE2 GLU A 53 -5.522 3.925 -14.937 1.00 0.00 O ATOM 0 H GLU A 53 -4.638 -1.512 -14.167 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.584 -0.472 -16.762 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.224 0.699 -14.369 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.804 1.359 -15.938 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.595 1.157 -16.077 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.321 1.616 -14.408 1.00 0.00 H new ATOM 517 N GLY A 54 -3.727 -1.690 -17.877 1.00 0.00 N ATOM 518 CA GLY A 54 -2.616 -2.192 -18.668 1.00 0.00 C ATOM 519 C GLY A 54 -1.885 -3.319 -17.934 1.00 0.00 C ATOM 520 O GLY A 54 -2.365 -4.451 -17.893 1.00 0.00 O ATOM 0 H GLY A 54 -4.650 -1.892 -18.261 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.983 -2.556 -19.627 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.920 -1.380 -18.881 1.00 0.00 H new ATOM 524 N ASP A 55 -0.737 -2.969 -17.374 1.00 0.00 N ATOM 525 CA ASP A 55 0.064 -3.936 -16.643 1.00 0.00 C ATOM 526 C ASP A 55 0.202 -3.485 -15.188 1.00 0.00 C ATOM 527 O ASP A 55 0.783 -4.191 -14.367 1.00 0.00 O ATOM 528 CB ASP A 55 1.469 -4.048 -17.238 1.00 0.00 C ATOM 529 CG ASP A 55 1.593 -4.993 -18.435 1.00 0.00 C ATOM 530 OD1 ASP A 55 1.519 -6.218 -18.199 1.00 0.00 O ATOM 531 OD2 ASP A 55 1.758 -4.468 -19.557 1.00 0.00 O ATOM 0 H ASP A 55 -0.342 -2.029 -17.412 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.435 -4.903 -16.708 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.798 -3.055 -17.543 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.152 -4.384 -16.457 1.00 0.00 H new ATOM 536 N LEU A 56 -0.344 -2.308 -14.913 1.00 0.00 N ATOM 537 CA LEU A 56 -0.291 -1.755 -13.571 1.00 0.00 C ATOM 538 C LEU A 56 -1.578 -2.111 -12.825 1.00 0.00 C ATOM 539 O LEU A 56 -2.592 -2.430 -13.445 1.00 0.00 O ATOM 540 CB LEU A 56 -0.006 -0.252 -13.623 1.00 0.00 C ATOM 541 CG LEU A 56 1.262 0.164 -14.372 1.00 0.00 C ATOM 542 CD1 LEU A 56 1.850 1.448 -13.782 1.00 0.00 C ATOM 543 CD2 LEU A 56 2.283 -0.975 -14.396 1.00 0.00 C ATOM 0 H LEU A 56 -0.825 -1.723 -15.597 1.00 0.00 H new ATOM 0 HA LEU A 56 0.534 -2.194 -13.010 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.858 0.244 -14.088 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.061 0.121 -12.601 1.00 0.00 H new ATOM 0 HG LEU A 56 0.993 0.378 -15.407 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.750 1.722 -14.332 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.118 2.252 -13.859 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.101 1.285 -12.734 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.175 -0.653 -14.934 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.553 -1.243 -13.375 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.850 -1.841 -14.896 1.00 0.00 H new ATOM 555 N ILE A 57 -1.498 -2.042 -11.504 1.00 0.00 N ATOM 556 CA ILE A 57 -2.644 -2.353 -10.667 1.00 0.00 C ATOM 557 C ILE A 57 -3.148 -1.070 -10.003 1.00 0.00 C ATOM 558 O ILE A 57 -2.353 -0.223 -9.599 1.00 0.00 O ATOM 559 CB ILE A 57 -2.297 -3.464 -9.674 1.00 0.00 C ATOM 560 CG1 ILE A 57 -3.441 -4.471 -9.556 1.00 0.00 C ATOM 561 CG2 ILE A 57 -1.903 -2.882 -8.315 1.00 0.00 C ATOM 562 CD1 ILE A 57 -3.194 -5.453 -8.410 1.00 0.00 C ATOM 0 H ILE A 57 -0.657 -1.775 -10.993 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.463 -2.743 -11.272 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.431 -4.004 -10.056 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.379 -3.942 -9.390 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.545 -5.019 -10.492 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.661 -3.693 -7.628 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.033 -2.236 -8.434 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.734 -2.302 -7.913 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.023 -6.158 -8.349 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.268 -5.998 -8.591 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.115 -4.904 -7.471 1.00 0.00 H new ATOM 574 N ILE A 58 -4.465 -0.968 -9.911 1.00 0.00 N ATOM 575 CA ILE A 58 -5.085 0.198 -9.302 1.00 0.00 C ATOM 576 C ILE A 58 -5.998 -0.253 -8.160 1.00 0.00 C ATOM 577 O ILE A 58 -6.664 -1.281 -8.262 1.00 0.00 O ATOM 578 CB ILE A 58 -5.797 1.041 -10.361 1.00 0.00 C ATOM 579 CG1 ILE A 58 -4.862 1.354 -11.532 1.00 0.00 C ATOM 580 CG2 ILE A 58 -6.388 2.310 -9.745 1.00 0.00 C ATOM 581 CD1 ILE A 58 -3.946 2.534 -11.202 1.00 0.00 C ATOM 0 H ILE A 58 -5.121 -1.673 -10.248 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.326 0.849 -8.867 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.628 0.459 -10.759 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.260 0.476 -11.766 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.450 1.583 -12.421 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.889 2.891 -10.519 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.108 2.038 -8.973 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.589 2.906 -9.303 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.292 2.735 -12.050 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.551 3.416 -10.992 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.342 2.292 -10.328 1.00 0.00 H new ATOM 593 N ALA A 59 -5.999 0.540 -7.097 1.00 0.00 N ATOM 594 CA ALA A 59 -6.819 0.235 -5.937 1.00 0.00 C ATOM 595 C ALA A 59 -7.956 1.254 -5.840 1.00 0.00 C ATOM 596 O ALA A 59 -7.781 2.419 -6.193 1.00 0.00 O ATOM 597 CB ALA A 59 -5.942 0.217 -4.683 1.00 0.00 C ATOM 0 H ALA A 59 -5.445 1.393 -7.016 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.270 -0.753 -6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.557 -0.012 -3.812 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.168 -0.543 -4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.475 1.193 -4.551 1.00 0.00 H new ATOM 603 N SER A 60 -9.095 0.778 -5.361 1.00 0.00 N ATOM 604 CA SER A 60 -10.261 1.632 -5.211 1.00 0.00 C ATOM 605 C SER A 60 -10.614 1.783 -3.731 1.00 0.00 C ATOM 606 O SER A 60 -11.207 0.883 -3.137 1.00 0.00 O ATOM 607 CB SER A 60 -11.454 1.074 -5.990 1.00 0.00 C ATOM 608 OG SER A 60 -12.065 2.065 -6.812 1.00 0.00 O ATOM 0 H SER A 60 -9.236 -0.190 -5.071 1.00 0.00 H new ATOM 0 HA SER A 60 -10.022 2.614 -5.620 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.124 0.241 -6.611 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.191 0.678 -5.291 1.00 0.00 H new ATOM 0 HG SER A 60 -12.821 1.669 -7.294 1.00 0.00 H new ATOM 614 N ILE A 61 -10.238 2.926 -3.179 1.00 0.00 N ATOM 615 CA ILE A 61 -10.506 3.206 -1.779 1.00 0.00 C ATOM 616 C ILE A 61 -11.286 4.519 -1.667 1.00 0.00 C ATOM 617 O ILE A 61 -11.157 5.395 -2.519 1.00 0.00 O ATOM 618 CB ILE A 61 -9.209 3.191 -0.969 1.00 0.00 C ATOM 619 CG1 ILE A 61 -8.382 4.451 -1.233 1.00 0.00 C ATOM 620 CG2 ILE A 61 -8.409 1.914 -1.239 1.00 0.00 C ATOM 621 CD1 ILE A 61 -7.084 4.435 -0.425 1.00 0.00 C ATOM 0 H ILE A 61 -9.749 3.670 -3.676 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.131 2.424 -1.348 1.00 0.00 H new ATOM 0 HB ILE A 61 -9.468 3.192 0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.152 4.523 -2.296 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.965 5.334 -0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.491 1.928 -0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.005 1.045 -0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.160 1.858 -2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.516 5.342 -0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.318 4.388 0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.492 3.564 -0.705 1.00 0.00 H new ATOM 633 N PRO A 62 -12.098 4.613 -0.581 1.00 0.00 N ATOM 634 CA PRO A 62 -12.899 5.803 -0.345 1.00 0.00 C ATOM 635 C PRO A 62 -12.029 6.957 0.160 1.00 0.00 C ATOM 636 O PRO A 62 -11.202 6.771 1.052 1.00 0.00 O ATOM 637 CB PRO A 62 -13.957 5.374 0.656 1.00 0.00 C ATOM 638 CG PRO A 62 -13.433 4.098 1.296 1.00 0.00 C ATOM 639 CD PRO A 62 -12.276 3.593 0.450 1.00 0.00 C ATOM 0 HA PRO A 62 -13.364 6.185 -1.254 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.122 6.148 1.406 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -14.913 5.199 0.163 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.104 4.291 2.317 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -14.221 3.347 1.352 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -11.372 3.471 1.047 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.501 2.621 0.011 1.00 0.00 H new ATOM 647 N GLY A 63 -12.247 8.122 -0.432 1.00 0.00 N ATOM 648 CA GLY A 63 -11.494 9.306 -0.052 1.00 0.00 C ATOM 649 C GLY A 63 -10.381 9.594 -1.062 1.00 0.00 C ATOM 650 O GLY A 63 -9.957 10.739 -1.212 1.00 0.00 O ATOM 0 H GLY A 63 -12.934 8.272 -1.171 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.164 10.163 0.011 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.063 9.165 0.939 1.00 0.00 H new ATOM 654 N ILE A 64 -9.941 8.538 -1.728 1.00 0.00 N ATOM 655 CA ILE A 64 -8.886 8.664 -2.720 1.00 0.00 C ATOM 656 C ILE A 64 -9.484 8.494 -4.117 1.00 0.00 C ATOM 657 O ILE A 64 -10.472 7.783 -4.293 1.00 0.00 O ATOM 658 CB ILE A 64 -7.747 7.690 -2.417 1.00 0.00 C ATOM 659 CG1 ILE A 64 -6.922 8.168 -1.219 1.00 0.00 C ATOM 660 CG2 ILE A 64 -6.878 7.459 -3.655 1.00 0.00 C ATOM 661 CD1 ILE A 64 -7.365 7.470 0.066 1.00 0.00 C ATOM 0 H ILE A 64 -10.296 7.590 -1.601 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.443 9.659 -2.681 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.183 6.728 -2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.865 7.970 -1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.029 9.247 -1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.076 6.762 -3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.489 7.043 -4.456 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.449 8.407 -3.981 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.763 7.828 0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.416 7.690 0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.233 6.393 -0.041 1.00 0.00 H new ATOM 673 N SER A 65 -8.859 9.160 -5.079 1.00 0.00 N ATOM 674 CA SER A 65 -9.317 9.091 -6.456 1.00 0.00 C ATOM 675 C SER A 65 -8.784 7.822 -7.122 1.00 0.00 C ATOM 676 O SER A 65 -9.560 6.956 -7.526 1.00 0.00 O ATOM 677 CB SER A 65 -8.880 10.328 -7.244 1.00 0.00 C ATOM 678 OG SER A 65 -9.242 10.240 -8.619 1.00 0.00 O ATOM 0 H SER A 65 -8.040 9.749 -4.931 1.00 0.00 H new ATOM 0 HA SER A 65 -10.407 9.061 -6.453 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.335 11.216 -6.806 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.800 10.448 -7.160 1.00 0.00 H new ATOM 0 HG SER A 65 -8.947 11.049 -9.087 1.00 0.00 H new ATOM 684 N ARG A 66 -7.466 7.750 -7.214 1.00 0.00 N ATOM 685 CA ARG A 66 -6.820 6.600 -7.826 1.00 0.00 C ATOM 686 C ARG A 66 -5.392 6.448 -7.294 1.00 0.00 C ATOM 687 O ARG A 66 -4.730 7.440 -6.994 1.00 0.00 O ATOM 688 CB ARG A 66 -6.778 6.735 -9.348 1.00 0.00 C ATOM 689 CG ARG A 66 -8.038 6.146 -9.986 1.00 0.00 C ATOM 690 CD ARG A 66 -7.698 5.392 -11.274 1.00 0.00 C ATOM 691 NE ARG A 66 -7.951 6.257 -12.447 1.00 0.00 N ATOM 692 CZ ARG A 66 -9.167 6.673 -12.826 1.00 0.00 C ATOM 693 NH1 ARG A 66 -10.250 6.307 -12.125 1.00 0.00 N ATOM 694 NH2 ARG A 66 -9.303 7.457 -13.904 1.00 0.00 N ATOM 0 H ARG A 66 -6.826 8.469 -6.875 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.404 5.717 -7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.685 7.786 -9.621 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.897 6.226 -9.738 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.525 5.471 -9.282 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.747 6.945 -10.204 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.653 5.082 -11.259 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.299 4.485 -11.344 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.149 6.556 -13.002 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.148 5.712 -11.303 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.176 6.624 -12.414 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.480 7.738 -14.437 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.229 7.773 -14.191 1.00 0.00 H new ATOM 708 N ILE A 67 -4.961 5.199 -7.195 1.00 0.00 N ATOM 709 CA ILE A 67 -3.625 4.906 -6.706 1.00 0.00 C ATOM 710 C ILE A 67 -3.020 3.772 -7.536 1.00 0.00 C ATOM 711 O ILE A 67 -3.743 2.916 -8.043 1.00 0.00 O ATOM 712 CB ILE A 67 -3.655 4.620 -5.203 1.00 0.00 C ATOM 713 CG1 ILE A 67 -4.689 3.540 -4.871 1.00 0.00 C ATOM 714 CG2 ILE A 67 -3.892 5.903 -4.406 1.00 0.00 C ATOM 715 CD1 ILE A 67 -6.028 4.166 -4.475 1.00 0.00 C ATOM 0 H ILE A 67 -5.513 4.379 -7.445 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.976 5.773 -6.829 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.679 4.234 -4.909 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.829 2.888 -5.733 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.320 2.916 -4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.909 5.672 -3.341 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.090 6.612 -4.611 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.847 6.341 -4.697 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.744 3.377 -4.244 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.889 4.798 -3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.406 4.769 -5.300 1.00 0.00 H new ATOM 727 N GLU A 68 -1.700 3.803 -7.649 1.00 0.00 N ATOM 728 CA GLU A 68 -0.990 2.789 -8.410 1.00 0.00 C ATOM 729 C GLU A 68 -0.159 1.909 -7.474 1.00 0.00 C ATOM 730 O GLU A 68 0.508 2.414 -6.572 1.00 0.00 O ATOM 731 CB GLU A 68 -0.112 3.426 -9.488 1.00 0.00 C ATOM 732 CG GLU A 68 -0.794 3.369 -10.856 1.00 0.00 C ATOM 733 CD GLU A 68 -0.144 4.350 -11.834 1.00 0.00 C ATOM 734 OE1 GLU A 68 0.299 5.417 -11.358 1.00 0.00 O ATOM 735 OE2 GLU A 68 -0.105 4.010 -13.036 1.00 0.00 O ATOM 0 H GLU A 68 -1.104 4.514 -7.226 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.724 2.159 -8.913 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.098 4.463 -9.225 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.846 2.909 -9.534 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.732 2.357 -11.255 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.853 3.605 -10.749 1.00 0.00 H new ATOM 742 N ILE A 69 -0.226 0.609 -7.721 1.00 0.00 N ATOM 743 CA ILE A 69 0.513 -0.345 -6.911 1.00 0.00 C ATOM 744 C ILE A 69 1.298 -1.286 -7.829 1.00 0.00 C ATOM 745 O ILE A 69 0.828 -1.640 -8.908 1.00 0.00 O ATOM 746 CB ILE A 69 -0.427 -1.070 -5.946 1.00 0.00 C ATOM 747 CG1 ILE A 69 -0.829 -0.160 -4.784 1.00 0.00 C ATOM 748 CG2 ILE A 69 0.192 -2.382 -5.459 1.00 0.00 C ATOM 749 CD1 ILE A 69 -1.917 0.829 -5.213 1.00 0.00 C ATOM 0 H ILE A 69 -0.780 0.194 -8.470 1.00 0.00 H new ATOM 0 HA ILE A 69 1.241 0.170 -6.284 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.339 -1.325 -6.485 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.190 -0.765 -3.952 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.044 0.386 -4.426 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.497 -2.877 -4.775 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.385 -3.032 -6.312 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.129 -2.173 -4.943 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.185 1.464 -4.369 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.545 1.448 -6.029 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.797 0.279 -5.547 1.00 0.00 H new ATOM 761 N LYS A 70 2.480 -1.662 -7.365 1.00 0.00 N ATOM 762 CA LYS A 70 3.335 -2.555 -8.129 1.00 0.00 C ATOM 763 C LYS A 70 4.025 -3.533 -7.178 1.00 0.00 C ATOM 764 O LYS A 70 5.093 -3.238 -6.644 1.00 0.00 O ATOM 765 CB LYS A 70 4.307 -1.752 -8.997 1.00 0.00 C ATOM 766 CG LYS A 70 3.827 -1.696 -10.449 1.00 0.00 C ATOM 767 CD LYS A 70 2.918 -0.488 -10.680 1.00 0.00 C ATOM 768 CE LYS A 70 3.737 0.757 -11.027 1.00 0.00 C ATOM 769 NZ LYS A 70 3.190 1.946 -10.336 1.00 0.00 N ATOM 0 H LYS A 70 2.866 -1.365 -6.469 1.00 0.00 H new ATOM 0 HA LYS A 70 2.741 -3.151 -8.822 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.402 -0.740 -8.602 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.297 -2.205 -8.955 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.686 -1.642 -11.118 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.289 -2.612 -10.694 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.219 -0.704 -11.488 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.324 -0.299 -9.786 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.777 0.607 -10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.726 0.918 -12.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.936 2.663 -10.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.404 2.339 -10.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.845 1.672 -9.394 1.00 0.00 H new ATOM 783 N PRO A 71 3.369 -4.709 -6.988 1.00 0.00 N ATOM 784 CA PRO A 71 3.908 -5.734 -6.109 1.00 0.00 C ATOM 785 C PRO A 71 5.085 -6.456 -6.768 1.00 0.00 C ATOM 786 O PRO A 71 4.995 -6.873 -7.920 1.00 0.00 O ATOM 787 CB PRO A 71 2.735 -6.655 -5.814 1.00 0.00 C ATOM 788 CG PRO A 71 1.706 -6.383 -6.899 1.00 0.00 C ATOM 789 CD PRO A 71 2.102 -5.094 -7.603 1.00 0.00 C ATOM 0 HA PRO A 71 4.318 -5.325 -5.185 1.00 0.00 H new ATOM 0 HB2 PRO A 71 3.047 -7.699 -5.825 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.322 -6.456 -4.825 1.00 0.00 H new ATOM 0 HG2 PRO A 71 1.671 -7.210 -7.608 1.00 0.00 H new ATOM 0 HG3 PRO A 71 0.710 -6.291 -6.466 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.213 -5.247 -8.676 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.346 -4.321 -7.468 1.00 0.00 H new ATOM 797 N ASP A 72 6.161 -6.584 -6.005 1.00 0.00 N ATOM 798 CA ASP A 72 7.354 -7.249 -6.499 1.00 0.00 C ATOM 799 C ASP A 72 7.810 -8.292 -5.478 1.00 0.00 C ATOM 800 O ASP A 72 7.522 -8.171 -4.289 1.00 0.00 O ATOM 801 CB ASP A 72 8.497 -6.252 -6.700 1.00 0.00 C ATOM 802 CG ASP A 72 9.260 -6.401 -8.018 1.00 0.00 C ATOM 803 OD1 ASP A 72 8.578 -6.481 -9.063 1.00 0.00 O ATOM 804 OD2 ASP A 72 10.507 -6.428 -7.952 1.00 0.00 O ATOM 0 H ASP A 72 6.231 -6.238 -5.048 1.00 0.00 H new ATOM 0 HA ASP A 72 7.110 -7.715 -7.454 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.092 -5.242 -6.644 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.202 -6.359 -5.875 1.00 0.00 H new ATOM 809 N LYS A 73 8.518 -9.295 -5.979 1.00 0.00 N ATOM 810 CA LYS A 73 9.018 -10.359 -5.126 1.00 0.00 C ATOM 811 C LYS A 73 9.795 -9.748 -3.958 1.00 0.00 C ATOM 812 O LYS A 73 9.683 -10.209 -2.824 1.00 0.00 O ATOM 813 CB LYS A 73 9.827 -11.367 -5.944 1.00 0.00 C ATOM 814 CG LYS A 73 8.941 -12.513 -6.437 1.00 0.00 C ATOM 815 CD LYS A 73 8.883 -13.642 -5.405 1.00 0.00 C ATOM 816 CE LYS A 73 7.791 -14.652 -5.761 1.00 0.00 C ATOM 817 NZ LYS A 73 7.745 -15.741 -4.760 1.00 0.00 N ATOM 0 H LYS A 73 8.757 -9.392 -6.966 1.00 0.00 H new ATOM 0 HA LYS A 73 8.190 -10.924 -4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.285 -10.865 -6.796 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.638 -11.766 -5.336 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.935 -12.142 -6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.328 -12.897 -7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.848 -14.146 -5.357 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.691 -13.226 -4.416 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.824 -14.150 -5.806 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.981 -15.068 -6.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.998 -16.418 -5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.662 -16.230 -4.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.542 -15.342 -3.821 1.00 0.00 H new ATOM 831 N ARG A 74 10.566 -8.719 -4.277 1.00 0.00 N ATOM 832 CA ARG A 74 11.361 -8.039 -3.269 1.00 0.00 C ATOM 833 C ARG A 74 10.455 -7.275 -2.303 1.00 0.00 C ATOM 834 O ARG A 74 10.249 -7.703 -1.168 1.00 0.00 O ATOM 835 CB ARG A 74 12.348 -7.063 -3.912 1.00 0.00 C ATOM 836 CG ARG A 74 13.794 -7.487 -3.644 1.00 0.00 C ATOM 837 CD ARG A 74 14.780 -6.463 -4.210 1.00 0.00 C ATOM 838 NE ARG A 74 16.162 -6.977 -4.097 1.00 0.00 N ATOM 839 CZ ARG A 74 16.641 -8.008 -4.805 1.00 0.00 C ATOM 840 NH1 ARG A 74 15.852 -8.643 -5.681 1.00 0.00 N ATOM 841 NH2 ARG A 74 17.911 -8.405 -4.638 1.00 0.00 N ATOM 0 H ARG A 74 10.657 -8.340 -5.219 1.00 0.00 H new ATOM 0 HA ARG A 74 11.921 -8.798 -2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 74 12.172 -7.018 -4.987 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.181 -6.060 -3.519 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.952 -7.595 -2.571 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.980 -8.463 -4.093 1.00 0.00 H new ATOM 0 HD2 ARG A 74 14.544 -6.257 -5.254 1.00 0.00 H new ATOM 0 HD3 ARG A 74 14.688 -5.520 -3.670 1.00 0.00 H new ATOM 0 HE ARG A 74 16.790 -6.517 -3.438 1.00 0.00 H new ATOM 0 HH11 ARG A 74 14.886 -8.341 -5.809 1.00 0.00 H new ATOM 0 HH12 ARG A 74 16.217 -9.428 -6.220 1.00 0.00 H new ATOM 0 HH21 ARG A 74 18.513 -7.922 -3.971 1.00 0.00 H new ATOM 0 HH22 ARG A 74 18.275 -9.190 -5.178 1.00 0.00 H new ATOM 855 N LYS A 75 9.936 -6.156 -2.788 1.00 0.00 N ATOM 856 CA LYS A 75 9.057 -5.328 -1.981 1.00 0.00 C ATOM 857 C LYS A 75 7.939 -4.767 -2.865 1.00 0.00 C ATOM 858 O LYS A 75 7.767 -5.201 -4.002 1.00 0.00 O ATOM 859 CB LYS A 75 9.858 -4.251 -1.246 1.00 0.00 C ATOM 860 CG LYS A 75 10.665 -3.401 -2.227 1.00 0.00 C ATOM 861 CD LYS A 75 9.970 -2.063 -2.493 1.00 0.00 C ATOM 862 CE LYS A 75 10.925 -0.893 -2.252 1.00 0.00 C ATOM 863 NZ LYS A 75 10.891 0.048 -3.394 1.00 0.00 N ATOM 0 H LYS A 75 10.108 -5.804 -3.730 1.00 0.00 H new ATOM 0 HA LYS A 75 8.581 -5.925 -1.203 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.180 -3.613 -0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.530 -4.720 -0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.662 -3.223 -1.825 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.791 -3.942 -3.165 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.607 -2.035 -3.520 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.099 -1.966 -1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.647 -0.372 -1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.939 -1.267 -2.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.545 0.836 -3.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.178 -0.449 -4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.926 0.418 -3.510 1.00 0.00 H new ATOM 877 N ILE A 76 7.213 -3.809 -2.307 1.00 0.00 N ATOM 878 CA ILE A 76 6.118 -3.184 -3.031 1.00 0.00 C ATOM 879 C ILE A 76 6.252 -1.663 -2.934 1.00 0.00 C ATOM 880 O ILE A 76 6.978 -1.153 -2.082 1.00 0.00 O ATOM 881 CB ILE A 76 4.773 -3.716 -2.532 1.00 0.00 C ATOM 882 CG1 ILE A 76 4.389 -3.070 -1.199 1.00 0.00 C ATOM 883 CG2 ILE A 76 4.786 -5.244 -2.446 1.00 0.00 C ATOM 884 CD1 ILE A 76 2.988 -3.504 -0.763 1.00 0.00 C ATOM 0 H ILE A 76 7.361 -3.451 -1.364 1.00 0.00 H new ATOM 0 HA ILE A 76 6.164 -3.442 -4.089 1.00 0.00 H new ATOM 0 HB ILE A 76 4.006 -3.441 -3.256 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.114 -3.348 -0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.425 -1.985 -1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.818 -5.597 -2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.983 -5.662 -3.433 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.566 -5.563 -1.755 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.740 -3.031 0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.262 -3.203 -1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.963 -4.587 -0.646 1.00 0.00 H new ATOM 896 N LEU A 77 5.540 -0.980 -3.818 1.00 0.00 N ATOM 897 CA LEU A 77 5.571 0.472 -3.844 1.00 0.00 C ATOM 898 C LEU A 77 4.194 0.999 -4.254 1.00 0.00 C ATOM 899 O LEU A 77 3.443 0.313 -4.946 1.00 0.00 O ATOM 900 CB LEU A 77 6.710 0.968 -4.736 1.00 0.00 C ATOM 901 CG LEU A 77 7.093 0.058 -5.904 1.00 0.00 C ATOM 902 CD1 LEU A 77 7.691 -1.256 -5.402 1.00 0.00 C ATOM 903 CD2 LEU A 77 5.898 -0.173 -6.833 1.00 0.00 C ATOM 0 H LEU A 77 4.938 -1.406 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 77 5.781 0.867 -2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.433 1.943 -5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.593 1.118 -4.114 1.00 0.00 H new ATOM 0 HG LEU A 77 7.864 0.559 -6.489 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.955 -1.884 -6.253 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.585 -1.048 -4.814 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.961 -1.774 -4.781 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.197 -0.823 -7.655 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.088 -0.643 -6.274 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.557 0.782 -7.232 1.00 0.00 H new ATOM 915 N VAL A 78 3.904 2.213 -3.809 1.00 0.00 N ATOM 916 CA VAL A 78 2.631 2.841 -4.121 1.00 0.00 C ATOM 917 C VAL A 78 2.877 4.275 -4.593 1.00 0.00 C ATOM 918 O VAL A 78 3.819 4.927 -4.146 1.00 0.00 O ATOM 919 CB VAL A 78 1.699 2.761 -2.911 1.00 0.00 C ATOM 920 CG1 VAL A 78 0.236 2.668 -3.350 1.00 0.00 C ATOM 921 CG2 VAL A 78 2.074 1.586 -2.005 1.00 0.00 C ATOM 0 H VAL A 78 4.529 2.779 -3.235 1.00 0.00 H new ATOM 0 HA VAL A 78 2.133 2.313 -4.934 1.00 0.00 H new ATOM 0 HB VAL A 78 1.819 3.679 -2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.405 2.612 -2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.025 3.550 -3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.095 1.775 -3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.395 1.553 -1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.997 0.655 -2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.097 1.712 -1.650 1.00 0.00 H new ATOM 931 N ASN A 79 2.013 4.725 -5.490 1.00 0.00 N ATOM 932 CA ASN A 79 2.123 6.070 -6.028 1.00 0.00 C ATOM 933 C ASN A 79 0.737 6.716 -6.064 1.00 0.00 C ATOM 934 O ASN A 79 -0.195 6.163 -6.649 1.00 0.00 O ATOM 935 CB ASN A 79 2.674 6.049 -7.455 1.00 0.00 C ATOM 936 CG ASN A 79 2.661 7.451 -8.068 1.00 0.00 C ATOM 937 OD1 ASN A 79 2.603 8.457 -7.380 1.00 0.00 O ATOM 938 ND2 ASN A 79 2.722 7.461 -9.398 1.00 0.00 N ATOM 0 H ASN A 79 1.233 4.181 -5.858 1.00 0.00 H new ATOM 0 HA ASN A 79 2.802 6.634 -5.388 1.00 0.00 H new ATOM 0 HB2 ASN A 79 3.692 5.660 -7.450 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.078 5.374 -8.069 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.722 8.348 -9.902 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.769 6.582 -9.913 1.00 0.00 H new ATOM 945 N THR A 80 0.643 7.877 -5.434 1.00 0.00 N ATOM 946 CA THR A 80 -0.615 8.604 -5.387 1.00 0.00 C ATOM 947 C THR A 80 -0.514 9.896 -6.200 1.00 0.00 C ATOM 948 O THR A 80 0.518 10.170 -6.810 1.00 0.00 O ATOM 949 CB THR A 80 -0.971 8.836 -3.917 1.00 0.00 C ATOM 950 OG1 THR A 80 0.069 9.685 -3.438 1.00 0.00 O ATOM 951 CG2 THR A 80 -0.835 7.569 -3.073 1.00 0.00 C ATOM 0 H THR A 80 1.417 8.333 -4.951 1.00 0.00 H new ATOM 0 HA THR A 80 -1.421 8.031 -5.845 1.00 0.00 H new ATOM 0 HB THR A 80 -1.992 9.210 -3.847 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.084 9.888 -2.491 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.100 7.790 -2.039 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.502 6.800 -3.462 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.194 7.212 -3.116 1.00 0.00 H new ATOM 959 N GLY A 81 -1.601 10.653 -6.183 1.00 0.00 N ATOM 960 CA GLY A 81 -1.648 11.910 -6.912 1.00 0.00 C ATOM 961 C GLY A 81 -2.051 13.063 -5.990 1.00 0.00 C ATOM 962 O GLY A 81 -1.340 13.378 -5.037 1.00 0.00 O ATOM 0 H GLY A 81 -2.455 10.421 -5.677 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.673 12.116 -7.353 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.359 11.831 -7.734 1.00 0.00 H new ATOM 966 N ASP A 82 -3.189 13.662 -6.308 1.00 0.00 N ATOM 967 CA ASP A 82 -3.694 14.773 -5.521 1.00 0.00 C ATOM 968 C ASP A 82 -4.863 14.291 -4.657 1.00 0.00 C ATOM 969 O ASP A 82 -5.842 13.757 -5.174 1.00 0.00 O ATOM 970 CB ASP A 82 -4.206 15.900 -6.423 1.00 0.00 C ATOM 971 CG ASP A 82 -4.480 15.493 -7.872 1.00 0.00 C ATOM 972 OD1 ASP A 82 -5.481 14.774 -8.081 1.00 0.00 O ATOM 973 OD2 ASP A 82 -3.682 15.910 -8.739 1.00 0.00 O ATOM 0 H ASP A 82 -3.775 13.399 -7.100 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.877 15.148 -4.904 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.125 16.300 -5.994 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.475 16.708 -6.420 1.00 0.00 H new ATOM 978 N TYR A 83 -4.721 14.500 -3.357 1.00 0.00 N ATOM 979 CA TYR A 83 -5.751 14.094 -2.416 1.00 0.00 C ATOM 980 C TYR A 83 -6.842 15.160 -2.306 1.00 0.00 C ATOM 981 O TYR A 83 -6.592 16.339 -2.553 1.00 0.00 O ATOM 982 CB TYR A 83 -5.053 13.951 -1.063 1.00 0.00 C ATOM 983 CG TYR A 83 -4.554 12.536 -0.766 1.00 0.00 C ATOM 984 CD1 TYR A 83 -4.321 11.655 -1.802 1.00 0.00 C ATOM 985 CD2 TYR A 83 -4.335 12.141 0.538 1.00 0.00 C ATOM 986 CE1 TYR A 83 -3.851 10.323 -1.522 1.00 0.00 C ATOM 987 CE2 TYR A 83 -3.864 10.809 0.818 1.00 0.00 C ATOM 988 CZ TYR A 83 -3.644 9.966 -0.226 1.00 0.00 C ATOM 989 OH TYR A 83 -3.201 8.707 0.037 1.00 0.00 O ATOM 0 H TYR A 83 -3.908 14.946 -2.933 1.00 0.00 H new ATOM 0 HA TYR A 83 -6.225 13.168 -2.740 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.208 14.638 -1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.743 14.254 -0.276 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.491 11.964 -2.823 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.517 12.831 1.349 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -3.667 9.623 -2.323 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.690 10.487 1.834 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.912 8.062 -0.160 1.00 0.00 H new ATOM 999 N ASP A 84 -8.030 14.707 -1.933 1.00 0.00 N ATOM 1000 CA ASP A 84 -9.162 15.608 -1.786 1.00 0.00 C ATOM 1001 C ASP A 84 -8.915 16.539 -0.597 1.00 0.00 C ATOM 1002 O ASP A 84 -8.997 16.116 0.554 1.00 0.00 O ATOM 1003 CB ASP A 84 -10.452 14.832 -1.518 1.00 0.00 C ATOM 1004 CG ASP A 84 -11.035 14.107 -2.734 1.00 0.00 C ATOM 1005 OD1 ASP A 84 -11.000 14.712 -3.827 1.00 0.00 O ATOM 1006 OD2 ASP A 84 -11.502 12.963 -2.543 1.00 0.00 O ATOM 0 H ASP A 84 -8.234 13.729 -1.728 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.267 16.173 -2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.261 14.099 -0.734 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -11.201 15.524 -1.133 1.00 0.00 H new ATOM 1011 N SER A 85 -8.618 17.790 -0.919 1.00 0.00 N ATOM 1012 CA SER A 85 -8.359 18.785 0.108 1.00 0.00 C ATOM 1013 C SER A 85 -9.524 18.829 1.100 1.00 0.00 C ATOM 1014 O SER A 85 -9.325 19.087 2.286 1.00 0.00 O ATOM 1015 CB SER A 85 -8.134 20.166 -0.508 1.00 0.00 C ATOM 1016 OG SER A 85 -6.750 20.492 -0.597 1.00 0.00 O ATOM 0 H SER A 85 -8.551 18.137 -1.876 1.00 0.00 H new ATOM 0 HA SER A 85 -7.450 18.501 0.638 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.578 20.196 -1.503 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.646 20.918 0.092 1.00 0.00 H new ATOM 0 HG SER A 85 -6.648 21.381 -0.997 1.00 0.00 H new ATOM 1022 N ASP A 86 -10.714 18.573 0.578 1.00 0.00 N ATOM 1023 CA ASP A 86 -11.912 18.580 1.401 1.00 0.00 C ATOM 1024 C ASP A 86 -11.829 17.443 2.423 1.00 0.00 C ATOM 1025 O ASP A 86 -12.250 17.601 3.567 1.00 0.00 O ATOM 1026 CB ASP A 86 -13.165 18.362 0.552 1.00 0.00 C ATOM 1027 CG ASP A 86 -13.989 19.623 0.282 1.00 0.00 C ATOM 1028 OD1 ASP A 86 -13.391 20.590 -0.238 1.00 0.00 O ATOM 1029 OD2 ASP A 86 -15.197 19.592 0.600 1.00 0.00 O ATOM 0 H ASP A 86 -10.875 18.359 -0.406 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.976 19.549 1.895 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.868 17.929 -0.403 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.801 17.630 1.050 1.00 0.00 H new ATOM 1034 N ALA A 87 -11.283 16.323 1.971 1.00 0.00 N ATOM 1035 CA ALA A 87 -11.141 15.161 2.831 1.00 0.00 C ATOM 1036 C ALA A 87 -9.916 15.344 3.729 1.00 0.00 C ATOM 1037 O ALA A 87 -8.840 15.698 3.253 1.00 0.00 O ATOM 1038 CB ALA A 87 -11.051 13.898 1.973 1.00 0.00 C ATOM 0 H ALA A 87 -10.934 16.196 1.021 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.012 15.054 3.478 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.944 13.026 2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.957 13.799 1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.187 13.968 1.312 1.00 0.00 H new ATOM 1044 N ASP A 88 -10.121 15.094 5.014 1.00 0.00 N ATOM 1045 CA ASP A 88 -9.047 15.226 5.982 1.00 0.00 C ATOM 1046 C ASP A 88 -7.844 14.399 5.521 1.00 0.00 C ATOM 1047 O ASP A 88 -7.865 13.171 5.597 1.00 0.00 O ATOM 1048 CB ASP A 88 -9.477 14.709 7.357 1.00 0.00 C ATOM 1049 CG ASP A 88 -10.214 15.727 8.230 1.00 0.00 C ATOM 1050 OD1 ASP A 88 -9.579 16.750 8.567 1.00 0.00 O ATOM 1051 OD2 ASP A 88 -11.394 15.458 8.540 1.00 0.00 O ATOM 0 H ASP A 88 -11.016 14.801 5.407 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.791 16.283 6.058 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.120 13.840 7.217 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.592 14.367 7.893 1.00 0.00 H new ATOM 1056 N LYS A 89 -6.825 15.106 5.054 1.00 0.00 N ATOM 1057 CA LYS A 89 -5.617 14.451 4.582 1.00 0.00 C ATOM 1058 C LYS A 89 -5.152 13.431 5.623 1.00 0.00 C ATOM 1059 O LYS A 89 -4.488 12.453 5.284 1.00 0.00 O ATOM 1060 CB LYS A 89 -4.553 15.490 4.221 1.00 0.00 C ATOM 1061 CG LYS A 89 -4.370 15.585 2.705 1.00 0.00 C ATOM 1062 CD LYS A 89 -5.578 16.259 2.049 1.00 0.00 C ATOM 1063 CE LYS A 89 -5.161 17.534 1.313 1.00 0.00 C ATOM 1064 NZ LYS A 89 -5.496 18.729 2.118 1.00 0.00 N ATOM 0 H LYS A 89 -6.811 16.124 4.993 1.00 0.00 H new ATOM 0 HA LYS A 89 -5.817 13.899 3.664 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.841 16.464 4.618 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.606 15.223 4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.466 16.150 2.479 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -4.235 14.587 2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.049 15.568 1.349 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.322 16.500 2.809 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -4.090 17.512 1.113 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.665 17.585 0.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.447 19.577 1.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.458 18.631 2.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.819 18.821 2.902 1.00 0.00 H new ATOM 1078 N LEU A 90 -5.522 13.694 6.867 1.00 0.00 N ATOM 1079 CA LEU A 90 -5.152 12.810 7.960 1.00 0.00 C ATOM 1080 C LEU A 90 -6.053 11.575 7.940 1.00 0.00 C ATOM 1081 O LEU A 90 -5.597 10.464 8.204 1.00 0.00 O ATOM 1082 CB LEU A 90 -5.173 13.565 9.290 1.00 0.00 C ATOM 1083 CG LEU A 90 -4.008 14.526 9.537 1.00 0.00 C ATOM 1084 CD1 LEU A 90 -4.311 15.913 8.969 1.00 0.00 C ATOM 1085 CD2 LEU A 90 -3.648 14.580 11.022 1.00 0.00 C ATOM 0 H LEU A 90 -6.074 14.506 7.143 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.128 12.459 7.835 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.103 14.131 9.349 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.193 12.835 10.099 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.134 14.146 9.008 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.467 16.576 9.158 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.479 15.837 7.895 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.203 16.316 9.449 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.817 15.270 11.170 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.511 14.923 11.593 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.359 13.586 11.363 1.00 0.00 H new ATOM 1097 N ALA A 91 -7.319 11.810 7.621 1.00 0.00 N ATOM 1098 CA ALA A 91 -8.288 10.729 7.562 1.00 0.00 C ATOM 1099 C ALA A 91 -7.961 9.820 6.376 1.00 0.00 C ATOM 1100 O ALA A 91 -7.837 8.606 6.536 1.00 0.00 O ATOM 1101 CB ALA A 91 -9.699 11.315 7.475 1.00 0.00 C ATOM 0 H ALA A 91 -7.695 12.732 7.401 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.241 10.121 8.465 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.427 10.505 7.431 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.893 11.929 8.354 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.784 11.928 6.578 1.00 0.00 H new ATOM 1107 N VAL A 92 -7.829 10.441 5.213 1.00 0.00 N ATOM 1108 CA VAL A 92 -7.518 9.702 4.001 1.00 0.00 C ATOM 1109 C VAL A 92 -6.265 8.855 4.233 1.00 0.00 C ATOM 1110 O VAL A 92 -6.246 7.669 3.911 1.00 0.00 O ATOM 1111 CB VAL A 92 -7.377 10.667 2.821 1.00 0.00 C ATOM 1112 CG1 VAL A 92 -8.684 11.425 2.576 1.00 0.00 C ATOM 1113 CG2 VAL A 92 -6.214 11.636 3.042 1.00 0.00 C ATOM 0 H VAL A 92 -7.932 11.448 5.084 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.330 9.020 3.751 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.158 10.079 1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.558 12.104 1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -9.480 10.715 2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.945 11.997 3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.135 12.311 2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.390 12.215 3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.286 11.073 3.146 1.00 0.00 H new ATOM 1123 N VAL A 93 -5.249 9.498 4.790 1.00 0.00 N ATOM 1124 CA VAL A 93 -3.996 8.818 5.069 1.00 0.00 C ATOM 1125 C VAL A 93 -4.230 7.736 6.124 1.00 0.00 C ATOM 1126 O VAL A 93 -3.582 6.691 6.101 1.00 0.00 O ATOM 1127 CB VAL A 93 -2.930 9.835 5.482 1.00 0.00 C ATOM 1128 CG1 VAL A 93 -1.916 9.207 6.442 1.00 0.00 C ATOM 1129 CG2 VAL A 93 -2.232 10.428 4.256 1.00 0.00 C ATOM 0 H VAL A 93 -5.268 10.483 5.055 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.624 8.322 4.173 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.429 10.649 6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.169 9.951 6.720 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.431 8.857 7.337 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.425 8.365 5.953 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.479 11.148 4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.752 9.630 3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.967 10.929 3.626 1.00 0.00 H new ATOM 1139 N ARG A 94 -5.161 8.024 7.022 1.00 0.00 N ATOM 1140 CA ARG A 94 -5.490 7.087 8.085 1.00 0.00 C ATOM 1141 C ARG A 94 -6.163 5.841 7.504 1.00 0.00 C ATOM 1142 O ARG A 94 -5.922 4.729 7.970 1.00 0.00 O ATOM 1143 CB ARG A 94 -6.422 7.727 9.115 1.00 0.00 C ATOM 1144 CG ARG A 94 -5.628 8.532 10.146 1.00 0.00 C ATOM 1145 CD ARG A 94 -5.356 7.699 11.399 1.00 0.00 C ATOM 1146 NE ARG A 94 -5.921 8.373 12.589 1.00 0.00 N ATOM 1147 CZ ARG A 94 -6.191 7.754 13.746 1.00 0.00 C ATOM 1148 NH1 ARG A 94 -5.950 6.443 13.877 1.00 0.00 N ATOM 1149 NH2 ARG A 94 -6.702 8.446 14.773 1.00 0.00 N ATOM 0 H ARG A 94 -5.698 8.891 7.036 1.00 0.00 H new ATOM 0 HA ARG A 94 -4.560 6.806 8.579 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.135 8.379 8.610 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.000 6.952 9.619 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -4.684 8.858 9.710 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.182 9.431 10.416 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -5.796 6.708 11.289 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -4.283 7.559 11.526 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.117 9.372 12.524 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.561 5.915 13.096 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -6.156 5.972 14.758 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.886 9.444 14.674 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -6.907 7.974 15.654 1.00 0.00 H new ATOM 1163 N THR A 95 -6.990 6.070 6.495 1.00 0.00 N ATOM 1164 CA THR A 95 -7.699 4.980 5.846 1.00 0.00 C ATOM 1165 C THR A 95 -6.838 4.370 4.738 1.00 0.00 C ATOM 1166 O THR A 95 -6.948 3.179 4.447 1.00 0.00 O ATOM 1167 CB THR A 95 -9.039 5.519 5.345 1.00 0.00 C ATOM 1168 OG1 THR A 95 -9.840 5.604 6.521 1.00 0.00 O ATOM 1169 CG2 THR A 95 -9.782 4.516 4.461 1.00 0.00 C ATOM 0 H THR A 95 -7.185 6.994 6.111 1.00 0.00 H new ATOM 0 HA THR A 95 -7.900 4.168 6.544 1.00 0.00 H new ATOM 0 HB THR A 95 -8.873 6.440 4.787 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.728 5.947 6.288 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.727 4.950 4.133 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.171 4.276 3.591 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.978 3.606 5.029 1.00 0.00 H new ATOM 1177 N TYR A 96 -6.000 5.212 4.151 1.00 0.00 N ATOM 1178 CA TYR A 96 -5.122 4.770 3.081 1.00 0.00 C ATOM 1179 C TYR A 96 -3.949 3.957 3.635 1.00 0.00 C ATOM 1180 O TYR A 96 -3.728 2.820 3.220 1.00 0.00 O ATOM 1181 CB TYR A 96 -4.579 6.044 2.428 1.00 0.00 C ATOM 1182 CG TYR A 96 -3.358 5.812 1.535 1.00 0.00 C ATOM 1183 CD1 TYR A 96 -2.090 5.837 2.082 1.00 0.00 C ATOM 1184 CD2 TYR A 96 -3.523 5.579 0.186 1.00 0.00 C ATOM 1185 CE1 TYR A 96 -0.941 5.622 1.242 1.00 0.00 C ATOM 1186 CE2 TYR A 96 -2.373 5.362 -0.653 1.00 0.00 C ATOM 1187 CZ TYR A 96 -1.138 5.394 -0.084 1.00 0.00 C ATOM 1188 OH TYR A 96 -0.053 5.189 -0.877 1.00 0.00 O ATOM 0 H TYR A 96 -5.911 6.198 4.396 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.663 4.137 2.378 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.370 6.501 1.833 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.315 6.757 3.209 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -1.961 6.018 3.139 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -4.515 5.559 -0.241 1.00 0.00 H new ATOM 0 HE1 TYR A 96 0.056 5.641 1.656 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -2.489 5.178 -1.711 1.00 0.00 H new ATOM 0 HH TYR A 96 -0.346 5.038 -1.800 1.00 0.00 H new ATOM 1198 N ASN A 97 -3.232 4.571 4.564 1.00 0.00 N ATOM 1199 CA ASN A 97 -2.089 3.919 5.179 1.00 0.00 C ATOM 1200 C ASN A 97 -2.534 2.591 5.795 1.00 0.00 C ATOM 1201 O ASN A 97 -1.764 1.633 5.842 1.00 0.00 O ATOM 1202 CB ASN A 97 -1.496 4.782 6.295 1.00 0.00 C ATOM 1203 CG ASN A 97 -2.222 4.541 7.619 1.00 0.00 C ATOM 1204 OD1 ASN A 97 -2.350 3.424 8.094 1.00 0.00 O ATOM 1205 ND2 ASN A 97 -2.692 5.647 8.187 1.00 0.00 N ATOM 0 H ASN A 97 -3.421 5.513 4.906 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.336 3.761 4.407 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.436 4.555 6.411 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.569 5.835 6.023 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.194 5.591 9.073 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.551 6.551 7.737 1.00 0.00 H new ATOM 1212 N ASP A 98 -3.778 2.576 6.253 1.00 0.00 N ATOM 1213 CA ASP A 98 -4.337 1.382 6.864 1.00 0.00 C ATOM 1214 C ASP A 98 -4.443 0.277 5.811 1.00 0.00 C ATOM 1215 O ASP A 98 -4.162 -0.885 6.096 1.00 0.00 O ATOM 1216 CB ASP A 98 -5.741 1.649 7.413 1.00 0.00 C ATOM 1217 CG ASP A 98 -5.935 1.297 8.888 1.00 0.00 C ATOM 1218 OD1 ASP A 98 -5.671 2.190 9.723 1.00 0.00 O ATOM 1219 OD2 ASP A 98 -6.343 0.145 9.149 1.00 0.00 O ATOM 0 H ASP A 98 -4.414 3.372 6.213 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.681 1.083 7.682 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.975 2.704 7.273 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.460 1.082 6.822 1.00 0.00 H new ATOM 1224 N PHE A 99 -4.848 0.680 4.615 1.00 0.00 N ATOM 1225 CA PHE A 99 -4.995 -0.262 3.519 1.00 0.00 C ATOM 1226 C PHE A 99 -3.635 -0.819 3.090 1.00 0.00 C ATOM 1227 O PHE A 99 -3.539 -1.970 2.664 1.00 0.00 O ATOM 1228 CB PHE A 99 -5.609 0.507 2.348 1.00 0.00 C ATOM 1229 CG PHE A 99 -5.400 -0.160 0.987 1.00 0.00 C ATOM 1230 CD1 PHE A 99 -4.203 -0.048 0.350 1.00 0.00 C ATOM 1231 CD2 PHE A 99 -6.413 -0.865 0.413 1.00 0.00 C ATOM 1232 CE1 PHE A 99 -4.011 -0.667 -0.913 1.00 0.00 C ATOM 1233 CE2 PHE A 99 -6.220 -1.485 -0.850 1.00 0.00 C ATOM 1234 CZ PHE A 99 -5.023 -1.373 -1.486 1.00 0.00 C ATOM 0 H PHE A 99 -5.079 1.646 4.382 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.620 -1.099 3.829 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.678 0.623 2.524 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.180 1.509 2.320 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.399 0.512 0.805 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.364 -0.953 0.918 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.061 -0.577 -1.419 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -7.023 -2.045 -1.305 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.876 -1.845 -2.446 1.00 0.00 H new ATOM 1244 N ILE A 100 -2.620 0.021 3.218 1.00 0.00 N ATOM 1245 CA ILE A 100 -1.271 -0.375 2.849 1.00 0.00 C ATOM 1246 C ILE A 100 -0.651 -1.182 3.990 1.00 0.00 C ATOM 1247 O ILE A 100 0.087 -2.137 3.751 1.00 0.00 O ATOM 1248 CB ILE A 100 -0.447 0.848 2.442 1.00 0.00 C ATOM 1249 CG1 ILE A 100 -1.135 1.624 1.317 1.00 0.00 C ATOM 1250 CG2 ILE A 100 0.983 0.448 2.070 1.00 0.00 C ATOM 1251 CD1 ILE A 100 -1.146 0.815 0.020 1.00 0.00 C ATOM 0 H ILE A 100 -2.703 0.974 3.572 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.290 -1.024 1.973 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.382 1.516 3.301 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.157 1.864 1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.619 2.570 1.155 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.547 1.336 1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.462 -0.027 2.926 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.959 -0.251 1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.641 1.390 -0.763 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.121 0.597 -0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.684 -0.120 0.179 1.00 0.00 H new ATOM 1263 N GLU A 101 -0.973 -0.769 5.207 1.00 0.00 N ATOM 1264 CA GLU A 101 -0.456 -1.443 6.387 1.00 0.00 C ATOM 1265 C GLU A 101 -0.784 -2.935 6.332 1.00 0.00 C ATOM 1266 O GLU A 101 -0.011 -3.763 6.814 1.00 0.00 O ATOM 1267 CB GLU A 101 -1.005 -0.807 7.666 1.00 0.00 C ATOM 1268 CG GLU A 101 0.069 -0.750 8.755 1.00 0.00 C ATOM 1269 CD GLU A 101 -0.010 0.563 9.535 1.00 0.00 C ATOM 1270 OE1 GLU A 101 -1.030 0.748 10.236 1.00 0.00 O ATOM 1271 OE2 GLU A 101 0.951 1.354 9.415 1.00 0.00 O ATOM 0 H GLU A 101 -1.585 0.023 5.402 1.00 0.00 H new ATOM 0 HA GLU A 101 0.628 -1.330 6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.364 0.200 7.451 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.860 -1.380 8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.055 -1.591 9.438 1.00 0.00 H new ATOM 0 HG3 GLU A 101 1.056 -0.850 8.303 1.00 0.00 H new ATOM 1278 N LYS A 102 -1.933 -3.235 5.743 1.00 0.00 N ATOM 1279 CA LYS A 102 -2.372 -4.614 5.620 1.00 0.00 C ATOM 1280 C LYS A 102 -1.771 -5.226 4.352 1.00 0.00 C ATOM 1281 O LYS A 102 -1.609 -6.442 4.264 1.00 0.00 O ATOM 1282 CB LYS A 102 -3.900 -4.696 5.678 1.00 0.00 C ATOM 1283 CG LYS A 102 -4.353 -5.868 6.550 1.00 0.00 C ATOM 1284 CD LYS A 102 -4.780 -5.385 7.939 1.00 0.00 C ATOM 1285 CE LYS A 102 -5.613 -6.448 8.656 1.00 0.00 C ATOM 1286 NZ LYS A 102 -5.087 -6.684 10.020 1.00 0.00 N ATOM 0 H LYS A 102 -2.572 -2.547 5.346 1.00 0.00 H new ATOM 0 HA LYS A 102 -2.011 -5.205 6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.303 -3.765 6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.300 -4.812 4.671 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -5.184 -6.384 6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -3.542 -6.590 6.645 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.897 -5.148 8.533 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -5.358 -4.466 7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -6.653 -6.127 8.711 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -5.596 -7.377 8.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -5.663 -7.408 10.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.101 -7.010 9.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -5.126 -5.799 10.565 1.00 0.00 H new ATOM 1300 N LEU A 103 -1.457 -4.355 3.407 1.00 0.00 N ATOM 1301 CA LEU A 103 -0.876 -4.794 2.148 1.00 0.00 C ATOM 1302 C LEU A 103 0.627 -5.005 2.332 1.00 0.00 C ATOM 1303 O LEU A 103 1.261 -5.708 1.546 1.00 0.00 O ATOM 1304 CB LEU A 103 -1.226 -3.815 1.026 1.00 0.00 C ATOM 1305 CG LEU A 103 -2.173 -4.344 -0.053 1.00 0.00 C ATOM 1306 CD1 LEU A 103 -3.511 -4.774 0.553 1.00 0.00 C ATOM 1307 CD2 LEU A 103 -2.354 -3.318 -1.175 1.00 0.00 C ATOM 0 H LEU A 103 -1.593 -3.347 3.486 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.299 -5.752 1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.675 -2.927 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.301 -3.498 0.546 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.722 -5.231 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.165 -5.146 -0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.342 -5.563 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.981 -3.920 1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.032 -3.719 -1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.772 -2.399 -0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.388 -3.105 -1.632 1.00 0.00 H new ATOM 1319 N THR A 104 1.158 -4.385 3.376 1.00 0.00 N ATOM 1320 CA THR A 104 2.576 -4.496 3.673 1.00 0.00 C ATOM 1321 C THR A 104 2.788 -5.278 4.971 1.00 0.00 C ATOM 1322 O THR A 104 3.596 -6.205 5.016 1.00 0.00 O ATOM 1323 CB THR A 104 3.163 -3.084 3.710 1.00 0.00 C ATOM 1324 OG1 THR A 104 2.489 -2.456 4.797 1.00 0.00 O ATOM 1325 CG2 THR A 104 2.762 -2.251 2.491 1.00 0.00 C ATOM 0 H THR A 104 0.631 -3.803 4.027 1.00 0.00 H new ATOM 0 HA THR A 104 3.100 -5.060 2.901 1.00 0.00 H new ATOM 0 HB THR A 104 4.250 -3.144 3.766 1.00 0.00 H new ATOM 0 HG1 THR A 104 1.597 -2.172 4.508 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.205 -1.258 2.567 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.119 -2.739 1.584 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.676 -2.162 2.452 1.00 0.00 H new ATOM 1333 N GLY A 105 2.051 -4.874 5.996 1.00 0.00 N ATOM 1334 CA GLY A 105 2.149 -5.525 7.291 1.00 0.00 C ATOM 1335 C GLY A 105 3.140 -4.793 8.198 1.00 0.00 C ATOM 1336 O GLY A 105 3.098 -4.943 9.418 1.00 0.00 O ATOM 0 H GLY A 105 1.384 -4.104 5.955 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.168 -5.551 7.764 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.467 -6.559 7.159 1.00 0.00 H new ATOM 1340 N TYR A 106 4.009 -4.016 7.567 1.00 0.00 N ATOM 1341 CA TYR A 106 5.010 -3.262 8.303 1.00 0.00 C ATOM 1342 C TYR A 106 4.436 -1.936 8.804 1.00 0.00 C ATOM 1343 O TYR A 106 3.916 -1.143 8.019 1.00 0.00 O ATOM 1344 CB TYR A 106 6.136 -2.973 7.308 1.00 0.00 C ATOM 1345 CG TYR A 106 7.274 -3.995 7.343 1.00 0.00 C ATOM 1346 CD1 TYR A 106 7.170 -5.170 6.626 1.00 0.00 C ATOM 1347 CD2 TYR A 106 8.405 -3.743 8.094 1.00 0.00 C ATOM 1348 CE1 TYR A 106 8.241 -6.131 6.658 1.00 0.00 C ATOM 1349 CE2 TYR A 106 9.476 -4.705 8.127 1.00 0.00 C ATOM 1350 CZ TYR A 106 9.342 -5.852 7.408 1.00 0.00 C ATOM 1351 OH TYR A 106 10.354 -6.759 7.439 1.00 0.00 O ATOM 0 H TYR A 106 4.040 -3.893 6.555 1.00 0.00 H new ATOM 0 HA TYR A 106 5.354 -3.824 9.171 1.00 0.00 H new ATOM 0 HB2 TYR A 106 5.719 -2.943 6.301 1.00 0.00 H new ATOM 0 HB3 TYR A 106 6.544 -1.983 7.514 1.00 0.00 H new ATOM 0 HD1 TYR A 106 6.284 -5.368 6.041 1.00 0.00 H new ATOM 0 HD2 TYR A 106 8.486 -2.825 8.656 1.00 0.00 H new ATOM 0 HE1 TYR A 106 8.173 -7.053 6.099 1.00 0.00 H new ATOM 0 HE2 TYR A 106 10.366 -4.520 8.710 1.00 0.00 H new ATOM 0 HH TYR A 106 11.075 -6.426 8.014 1.00 0.00 H new ATOM 1361 N SER A 107 4.549 -1.733 10.107 1.00 0.00 N ATOM 1362 CA SER A 107 4.049 -0.516 10.723 1.00 0.00 C ATOM 1363 C SER A 107 5.084 0.603 10.589 1.00 0.00 C ATOM 1364 O SER A 107 6.267 0.337 10.379 1.00 0.00 O ATOM 1365 CB SER A 107 3.703 -0.745 12.197 1.00 0.00 C ATOM 1366 OG SER A 107 2.497 -0.085 12.569 1.00 0.00 O ATOM 0 H SER A 107 4.980 -2.392 10.755 1.00 0.00 H new ATOM 0 HA SER A 107 3.136 -0.222 10.205 1.00 0.00 H new ATOM 0 HB2 SER A 107 3.604 -1.814 12.385 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.521 -0.386 12.822 1.00 0.00 H new ATOM 0 HG SER A 107 2.309 -0.256 13.515 1.00 0.00 H new ATOM 1372 N ALA A 108 4.602 1.831 10.715 1.00 0.00 N ATOM 1373 CA ALA A 108 5.471 2.990 10.610 1.00 0.00 C ATOM 1374 C ALA A 108 6.499 2.956 11.742 1.00 0.00 C ATOM 1375 O ALA A 108 7.551 3.586 11.650 1.00 0.00 O ATOM 1376 CB ALA A 108 4.625 4.266 10.629 1.00 0.00 C ATOM 0 H ALA A 108 3.621 2.048 10.889 1.00 0.00 H new ATOM 0 HA ALA A 108 6.018 2.975 9.667 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.277 5.136 10.550 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.931 4.255 9.788 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.064 4.317 11.562 1.00 0.00 H new ATOM 1382 N LYS A 109 6.160 2.213 12.786 1.00 0.00 N ATOM 1383 CA LYS A 109 7.040 2.088 13.934 1.00 0.00 C ATOM 1384 C LYS A 109 8.232 1.202 13.564 1.00 0.00 C ATOM 1385 O LYS A 109 9.377 1.539 13.862 1.00 0.00 O ATOM 1386 CB LYS A 109 6.263 1.592 15.154 1.00 0.00 C ATOM 1387 CG LYS A 109 6.661 2.368 16.412 1.00 0.00 C ATOM 1388 CD LYS A 109 7.754 1.632 17.187 1.00 0.00 C ATOM 1389 CE LYS A 109 8.554 2.600 18.061 1.00 0.00 C ATOM 1390 NZ LYS A 109 7.844 2.859 19.333 1.00 0.00 N ATOM 0 H LYS A 109 5.287 1.691 12.860 1.00 0.00 H new ATOM 0 HA LYS A 109 7.440 3.063 14.214 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.193 1.703 14.978 1.00 0.00 H new ATOM 0 HB3 LYS A 109 6.453 0.529 15.303 1.00 0.00 H new ATOM 0 HG2 LYS A 109 7.013 3.361 16.135 1.00 0.00 H new ATOM 0 HG3 LYS A 109 5.788 2.506 17.050 1.00 0.00 H new ATOM 0 HD2 LYS A 109 7.305 0.860 17.811 1.00 0.00 H new ATOM 0 HD3 LYS A 109 8.423 1.129 16.489 1.00 0.00 H new ATOM 0 HE2 LYS A 109 9.540 2.183 18.267 1.00 0.00 H new ATOM 0 HE3 LYS A 109 8.709 3.538 17.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 8.401 3.518 19.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 6.913 3.277 19.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 7.718 1.965 19.849 1.00 0.00 H new ATOM 1404 N GLU A 110 7.923 0.088 12.918 1.00 0.00 N ATOM 1405 CA GLU A 110 8.953 -0.849 12.504 1.00 0.00 C ATOM 1406 C GLU A 110 9.613 -0.372 11.208 1.00 0.00 C ATOM 1407 O GLU A 110 10.800 -0.607 10.989 1.00 0.00 O ATOM 1408 CB GLU A 110 8.380 -2.258 12.340 1.00 0.00 C ATOM 1409 CG GLU A 110 7.346 -2.302 11.213 1.00 0.00 C ATOM 1410 CD GLU A 110 6.814 -3.723 11.014 1.00 0.00 C ATOM 1411 OE1 GLU A 110 7.527 -4.510 10.354 1.00 0.00 O ATOM 1412 OE2 GLU A 110 5.706 -3.991 11.527 1.00 0.00 O ATOM 0 H GLU A 110 6.972 -0.187 12.671 1.00 0.00 H new ATOM 0 HA GLU A 110 9.713 -0.891 13.284 1.00 0.00 H new ATOM 0 HB2 GLU A 110 9.186 -2.960 12.126 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.919 -2.578 13.274 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.520 -1.630 11.446 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.796 -1.945 10.287 1.00 0.00 H new ATOM 1419 N ARG A 111 8.814 0.291 10.383 1.00 0.00 N ATOM 1420 CA ARG A 111 9.307 0.803 9.116 1.00 0.00 C ATOM 1421 C ARG A 111 10.592 1.604 9.330 1.00 0.00 C ATOM 1422 O ARG A 111 11.495 1.571 8.495 1.00 0.00 O ATOM 1423 CB ARG A 111 8.265 1.695 8.441 1.00 0.00 C ATOM 1424 CG ARG A 111 8.471 3.163 8.820 1.00 0.00 C ATOM 1425 CD ARG A 111 9.587 3.794 7.985 1.00 0.00 C ATOM 1426 NE ARG A 111 9.104 5.043 7.356 1.00 0.00 N ATOM 1427 CZ ARG A 111 9.905 6.038 6.952 1.00 0.00 C ATOM 1428 NH1 ARG A 111 11.231 5.938 7.111 1.00 0.00 N ATOM 1429 NH2 ARG A 111 9.379 7.136 6.391 1.00 0.00 N ATOM 0 H ARG A 111 7.830 0.485 10.568 1.00 0.00 H new ATOM 0 HA ARG A 111 9.511 -0.051 8.470 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.331 1.582 7.359 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.264 1.377 8.734 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.543 3.715 8.669 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.718 3.238 9.879 1.00 0.00 H new ATOM 0 HD2 ARG A 111 10.450 4.005 8.617 1.00 0.00 H new ATOM 0 HD3 ARG A 111 9.918 3.095 7.217 1.00 0.00 H new ATOM 0 HE ARG A 111 8.099 5.153 7.222 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.632 5.104 7.540 1.00 0.00 H new ATOM 0 HH12 ARG A 111 11.840 6.696 6.803 1.00 0.00 H new ATOM 0 HH21 ARG A 111 8.369 7.214 6.272 1.00 0.00 H new ATOM 0 HH22 ARG A 111 9.989 7.894 6.083 1.00 0.00 H new ATOM 1443 N LYS A 112 10.634 2.305 10.453 1.00 0.00 N ATOM 1444 CA LYS A 112 11.794 3.114 10.789 1.00 0.00 C ATOM 1445 C LYS A 112 12.906 2.207 11.320 1.00 0.00 C ATOM 1446 O LYS A 112 14.082 2.426 11.035 1.00 0.00 O ATOM 1447 CB LYS A 112 11.404 4.238 11.750 1.00 0.00 C ATOM 1448 CG LYS A 112 12.645 4.873 12.383 1.00 0.00 C ATOM 1449 CD LYS A 112 12.256 5.813 13.526 1.00 0.00 C ATOM 1450 CE LYS A 112 13.454 6.650 13.978 1.00 0.00 C ATOM 1451 NZ LYS A 112 13.003 7.801 14.792 1.00 0.00 N ATOM 0 H LYS A 112 9.883 2.330 11.143 1.00 0.00 H new ATOM 0 HA LYS A 112 12.184 3.609 9.900 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.835 4.998 11.215 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.754 3.844 12.531 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.306 4.092 12.758 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.202 5.426 11.626 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.449 6.471 13.202 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.876 5.232 14.366 1.00 0.00 H new ATOM 0 HE2 LYS A 112 14.139 6.032 14.559 1.00 0.00 H new ATOM 0 HE3 LYS A 112 14.006 7.006 13.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 13.828 8.359 15.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.367 8.399 14.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.496 7.455 15.632 1.00 0.00 H new ATOM 1465 N LYS A 113 12.495 1.207 12.088 1.00 0.00 N ATOM 1466 CA LYS A 113 13.441 0.268 12.663 1.00 0.00 C ATOM 1467 C LYS A 113 14.394 -0.223 11.571 1.00 0.00 C ATOM 1468 O LYS A 113 15.609 -0.241 11.766 1.00 0.00 O ATOM 1469 CB LYS A 113 12.702 -0.861 13.385 1.00 0.00 C ATOM 1470 CG LYS A 113 12.074 -0.359 14.688 1.00 0.00 C ATOM 1471 CD LYS A 113 11.698 -1.527 15.602 1.00 0.00 C ATOM 1472 CE LYS A 113 12.256 -1.322 17.011 1.00 0.00 C ATOM 1473 NZ LYS A 113 12.136 -2.567 17.803 1.00 0.00 N ATOM 0 H LYS A 113 11.519 1.028 12.325 1.00 0.00 H new ATOM 0 HA LYS A 113 14.050 0.758 13.422 1.00 0.00 H new ATOM 0 HB2 LYS A 113 11.926 -1.266 12.736 1.00 0.00 H new ATOM 0 HB3 LYS A 113 13.395 -1.675 13.601 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.774 0.299 15.203 1.00 0.00 H new ATOM 0 HG3 LYS A 113 11.186 0.232 14.464 1.00 0.00 H new ATOM 0 HD2 LYS A 113 10.613 -1.624 15.647 1.00 0.00 H new ATOM 0 HD3 LYS A 113 12.084 -2.458 15.186 1.00 0.00 H new ATOM 0 HE2 LYS A 113 13.302 -1.020 16.954 1.00 0.00 H new ATOM 0 HE3 LYS A 113 11.718 -0.515 17.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 12.520 -2.410 18.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.135 -2.839 17.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 12.669 -3.328 17.336 1.00 0.00 H new ATOM 1487 N MET A 114 13.809 -0.608 10.448 1.00 0.00 N ATOM 1488 CA MET A 114 14.590 -1.097 9.325 1.00 0.00 C ATOM 1489 C MET A 114 15.403 0.034 8.690 1.00 0.00 C ATOM 1490 O MET A 114 16.406 -0.218 8.022 1.00 0.00 O ATOM 1491 CB MET A 114 13.656 -1.705 8.277 1.00 0.00 C ATOM 1492 CG MET A 114 12.661 -0.664 7.759 1.00 0.00 C ATOM 1493 SD MET A 114 12.107 -1.111 6.123 1.00 0.00 S ATOM 1494 CE MET A 114 13.595 -0.787 5.192 1.00 0.00 C ATOM 0 H MET A 114 12.801 -0.591 10.291 1.00 0.00 H new ATOM 0 HA MET A 114 15.281 -1.856 9.691 1.00 0.00 H new ATOM 0 HB2 MET A 114 14.242 -2.098 7.446 1.00 0.00 H new ATOM 0 HB3 MET A 114 13.115 -2.546 8.711 1.00 0.00 H new ATOM 0 HG2 MET A 114 11.808 -0.596 8.435 1.00 0.00 H new ATOM 0 HG3 MET A 114 13.130 0.320 7.737 1.00 0.00 H new ATOM 0 HE1 MET A 114 13.331 -0.458 4.187 1.00 0.00 H new ATOM 0 HE2 MET A 114 14.173 -0.007 5.689 1.00 0.00 H new ATOM 0 HE3 MET A 114 14.192 -1.697 5.131 1.00 0.00 H new ATOM 1504 N MET A 115 14.941 1.253 8.921 1.00 0.00 N ATOM 1505 CA MET A 115 15.614 2.423 8.380 1.00 0.00 C ATOM 1506 C MET A 115 16.786 2.841 9.267 1.00 0.00 C ATOM 1507 O MET A 115 17.873 3.131 8.770 1.00 0.00 O ATOM 1508 CB MET A 115 14.617 3.579 8.269 1.00 0.00 C ATOM 1509 CG MET A 115 14.864 4.398 7.002 1.00 0.00 C ATOM 1510 SD MET A 115 15.871 5.821 7.382 1.00 0.00 S ATOM 1511 CE MET A 115 14.657 7.117 7.195 1.00 0.00 C ATOM 0 H MET A 115 14.109 1.457 9.475 1.00 0.00 H new ATOM 0 HA MET A 115 16.003 2.172 7.393 1.00 0.00 H new ATOM 0 HB2 MET A 115 13.600 3.187 8.260 1.00 0.00 H new ATOM 0 HB3 MET A 115 14.703 4.223 9.144 1.00 0.00 H new ATOM 0 HG2 MET A 115 15.359 3.782 6.252 1.00 0.00 H new ATOM 0 HG3 MET A 115 13.914 4.718 6.575 1.00 0.00 H new ATOM 0 HE1 MET A 115 15.121 8.082 7.398 1.00 0.00 H new ATOM 0 HE2 MET A 115 14.269 7.108 6.176 1.00 0.00 H new ATOM 0 HE3 MET A 115 13.839 6.953 7.896 1.00 0.00 H new ATOM 1521 N THR A 116 16.526 2.859 10.566 1.00 0.00 N ATOM 1522 CA THR A 116 17.546 3.238 11.529 1.00 0.00 C ATOM 1523 C THR A 116 18.304 2.001 12.018 1.00 0.00 C ATOM 1524 O THR A 116 17.692 1.004 12.395 1.00 0.00 O ATOM 1525 CB THR A 116 16.868 4.020 12.655 1.00 0.00 C ATOM 1526 OG1 THR A 116 15.766 3.199 13.033 1.00 0.00 O ATOM 1527 CG2 THR A 116 16.217 5.312 12.161 1.00 0.00 C ATOM 0 H THR A 116 15.623 2.617 10.974 1.00 0.00 H new ATOM 0 HA THR A 116 18.298 3.883 11.075 1.00 0.00 H new ATOM 0 HB THR A 116 17.602 4.255 13.426 1.00 0.00 H new ATOM 0 HG1 THR A 116 16.042 2.259 13.029 1.00 0.00 H new ATOM 0 HG21 THR A 116 15.750 5.828 13.000 1.00 0.00 H new ATOM 0 HG22 THR A 116 16.976 5.955 11.716 1.00 0.00 H new ATOM 0 HG23 THR A 116 15.459 5.075 11.414 1.00 0.00 H new ATOM 1535 N LYS A 117 19.625 2.108 11.995 1.00 0.00 N ATOM 1536 CA LYS A 117 20.471 1.010 12.432 1.00 0.00 C ATOM 1537 C LYS A 117 20.118 0.643 13.874 1.00 0.00 C ATOM 1538 O LYS A 117 20.005 1.517 14.732 1.00 0.00 O ATOM 1539 CB LYS A 117 21.947 1.360 12.228 1.00 0.00 C ATOM 1540 CG LYS A 117 22.830 0.118 12.370 1.00 0.00 C ATOM 1541 CD LYS A 117 23.867 0.051 11.248 1.00 0.00 C ATOM 1542 CE LYS A 117 24.204 -1.400 10.899 1.00 0.00 C ATOM 1543 NZ LYS A 117 25.594 -1.719 11.297 1.00 0.00 N ATOM 0 H LYS A 117 20.129 2.937 11.681 1.00 0.00 H new ATOM 0 HA LYS A 117 20.290 0.123 11.825 1.00 0.00 H new ATOM 0 HB2 LYS A 117 22.087 1.799 11.240 1.00 0.00 H new ATOM 0 HB3 LYS A 117 22.250 2.112 12.957 1.00 0.00 H new ATOM 0 HG2 LYS A 117 23.335 0.135 13.336 1.00 0.00 H new ATOM 0 HG3 LYS A 117 22.209 -0.778 12.350 1.00 0.00 H new ATOM 0 HD2 LYS A 117 23.485 0.562 10.364 1.00 0.00 H new ATOM 0 HD3 LYS A 117 24.773 0.575 11.553 1.00 0.00 H new ATOM 0 HE2 LYS A 117 23.511 -2.072 11.405 1.00 0.00 H new ATOM 0 HE3 LYS A 117 24.080 -1.561 9.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 25.807 -2.707 11.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 26.252 -1.089 10.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 25.701 -1.585 12.323 1.00 0.00 H new ATOM 1557 N ASP A 118 19.956 -0.653 14.097 1.00 0.00 N ATOM 1558 CA ASP A 118 19.618 -1.148 15.421 1.00 0.00 C ATOM 1559 C ASP A 118 20.494 -2.360 15.746 1.00 0.00 C ATOM 1560 O ASP A 118 20.432 -2.895 16.852 1.00 0.00 O ATOM 1561 CB ASP A 118 18.155 -1.590 15.488 1.00 0.00 C ATOM 1562 CG ASP A 118 17.837 -2.610 16.584 1.00 0.00 C ATOM 1563 OD1 ASP A 118 18.245 -3.778 16.406 1.00 0.00 O ATOM 1564 OD2 ASP A 118 17.192 -2.198 17.572 1.00 0.00 O ATOM 1565 OXT ASP A 118 21.370 -2.858 14.775 1.00 0.00 O ATOM 0 H ASP A 118 20.052 -1.375 13.383 1.00 0.00 H new ATOM 0 HA ASP A 118 19.783 -0.341 16.135 1.00 0.00 H new ATOM 0 HB2 ASP A 118 17.532 -0.709 15.641 1.00 0.00 H new ATOM 0 HB3 ASP A 118 17.875 -2.016 14.524 1.00 0.00 H new TER 1570 ASP A 118