USER MOD reduce.3.24.130724 H: found=0, std=0, add=306, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 304 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 NoAdj-H: A 29 HIS HE2 : A 29 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 22 SER OG : rot -116:sc= 0.00763 USER MOD Set 1.2: A 24 SER OG : rot 180:sc= -0.0499 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 49:sc= 0.307 USER MOD Single : A 3 SER OG : rot 180:sc= -0.189 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 43:sc= 0.9 USER MOD Single : A 9 LYS NZ :NH3+ -155:sc= -0.403 (180deg=-2.28) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 167:sc= 0 (180deg=-0.106) USER MOD Single : A 32 THR OG1 : rot -63:sc= 0.149 USER MOD Single : A 34 THR OG1 : rot -15:sc= 0.955 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 38:sc= 0.848 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.327 15.894 3.659 1.00 0.00 N ATOM 2 CA GLY A 1 -16.467 15.644 4.801 1.00 0.00 C ATOM 3 C GLY A 1 -15.115 15.089 4.397 1.00 0.00 C ATOM 4 O GLY A 1 -14.231 15.835 3.976 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.239 16.272 3.987 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.873 16.584 3.027 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.487 15.005 3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.325 16.572 5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.958 14.942 5.475 1.00 0.00 H new ATOM 8 N SER A 2 -14.953 13.777 4.528 1.00 0.00 N ATOM 9 CA SER A 2 -13.697 13.123 4.179 1.00 0.00 C ATOM 10 C SER A 2 -13.852 12.292 2.909 1.00 0.00 C ATOM 11 O SER A 2 -14.132 11.094 2.968 1.00 0.00 O ATOM 12 CB SER A 2 -13.224 12.233 5.330 1.00 0.00 C ATOM 13 OG SER A 2 -14.258 11.367 5.763 1.00 0.00 O ATOM 0 H SER A 2 -15.676 13.145 4.873 1.00 0.00 H new ATOM 0 HA SER A 2 -12.951 13.897 3.997 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.364 11.645 5.010 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.894 12.854 6.162 1.00 0.00 H new ATOM 0 HG SER A 2 -14.660 10.924 4.987 1.00 0.00 H new ATOM 19 N SER A 3 -13.668 12.936 1.761 1.00 0.00 N ATOM 20 CA SER A 3 -13.791 12.259 0.476 1.00 0.00 C ATOM 21 C SER A 3 -12.425 12.093 -0.184 1.00 0.00 C ATOM 22 O SER A 3 -12.038 10.991 -0.570 1.00 0.00 O ATOM 23 CB SER A 3 -14.725 13.040 -0.450 1.00 0.00 C ATOM 24 OG SER A 3 -14.210 14.332 -0.721 1.00 0.00 O ATOM 0 H SER A 3 -13.433 13.926 1.695 1.00 0.00 H new ATOM 0 HA SER A 3 -14.212 11.270 0.654 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.856 12.494 -1.384 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.710 13.126 0.010 1.00 0.00 H new ATOM 0 HG SER A 3 -14.824 14.811 -1.316 1.00 0.00 H new ATOM 30 N GLY A 4 -11.698 13.200 -0.310 1.00 0.00 N ATOM 31 CA GLY A 4 -10.383 13.157 -0.923 1.00 0.00 C ATOM 32 C GLY A 4 -9.476 14.267 -0.428 1.00 0.00 C ATOM 33 O GLY A 4 -9.939 15.228 0.186 1.00 0.00 O ATOM 0 H GLY A 4 -11.996 14.124 0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.919 12.193 -0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.487 13.233 -2.005 1.00 0.00 H new ATOM 37 N SER A 5 -8.181 14.133 -0.694 1.00 0.00 N ATOM 38 CA SER A 5 -7.206 15.130 -0.267 1.00 0.00 C ATOM 39 C SER A 5 -5.941 15.052 -1.117 1.00 0.00 C ATOM 40 O SER A 5 -5.245 14.037 -1.122 1.00 0.00 O ATOM 41 CB SER A 5 -6.856 14.931 1.209 1.00 0.00 C ATOM 42 OG SER A 5 -6.133 16.040 1.716 1.00 0.00 O ATOM 0 H SER A 5 -7.782 13.344 -1.203 1.00 0.00 H new ATOM 0 HA SER A 5 -7.650 16.117 -0.398 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.770 14.793 1.787 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.265 14.023 1.327 1.00 0.00 H new ATOM 0 HG SER A 5 -5.923 15.889 2.661 1.00 0.00 H new ATOM 48 N SER A 6 -5.651 16.133 -1.834 1.00 0.00 N ATOM 49 CA SER A 6 -4.472 16.187 -2.691 1.00 0.00 C ATOM 50 C SER A 6 -3.214 15.824 -1.909 1.00 0.00 C ATOM 51 O SER A 6 -2.514 16.697 -1.397 1.00 0.00 O ATOM 52 CB SER A 6 -4.323 17.582 -3.301 1.00 0.00 C ATOM 53 OG SER A 6 -4.166 18.565 -2.292 1.00 0.00 O ATOM 0 H SER A 6 -6.216 16.983 -1.839 1.00 0.00 H new ATOM 0 HA SER A 6 -4.602 15.460 -3.492 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.461 17.600 -3.968 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.200 17.814 -3.906 1.00 0.00 H new ATOM 0 HG SER A 6 -3.551 18.233 -1.605 1.00 0.00 H new ATOM 59 N GLY A 7 -2.933 14.527 -1.820 1.00 0.00 N ATOM 60 CA GLY A 7 -1.760 14.070 -1.099 1.00 0.00 C ATOM 61 C GLY A 7 -0.548 13.922 -1.997 1.00 0.00 C ATOM 62 O GLY A 7 -0.435 14.604 -3.016 1.00 0.00 O ATOM 0 H GLY A 7 -3.497 13.785 -2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.532 14.775 -0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.978 13.112 -0.627 1.00 0.00 H new ATOM 66 N VAL A 8 0.363 13.031 -1.618 1.00 0.00 N ATOM 67 CA VAL A 8 1.573 12.797 -2.396 1.00 0.00 C ATOM 68 C VAL A 8 1.716 11.323 -2.759 1.00 0.00 C ATOM 69 O VAL A 8 2.786 10.734 -2.601 1.00 0.00 O ATOM 70 CB VAL A 8 2.830 13.250 -1.629 1.00 0.00 C ATOM 71 CG1 VAL A 8 2.771 14.742 -1.340 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.982 12.455 -0.341 1.00 0.00 C ATOM 0 H VAL A 8 0.286 12.460 -0.777 1.00 0.00 H new ATOM 0 HA VAL A 8 1.482 13.386 -3.309 1.00 0.00 H new ATOM 0 HB VAL A 8 3.703 13.060 -2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.667 15.043 -0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.713 15.292 -2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.891 14.961 -0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.875 12.787 0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.107 12.612 0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.074 11.395 -0.577 1.00 0.00 H new ATOM 82 N LYS A 9 0.631 10.732 -3.248 1.00 0.00 N ATOM 83 CA LYS A 9 0.635 9.327 -3.637 1.00 0.00 C ATOM 84 C LYS A 9 0.075 9.150 -5.045 1.00 0.00 C ATOM 85 O LYS A 9 -1.066 8.729 -5.237 1.00 0.00 O ATOM 86 CB LYS A 9 -0.184 8.500 -2.643 1.00 0.00 C ATOM 87 CG LYS A 9 -1.550 9.091 -2.340 1.00 0.00 C ATOM 88 CD LYS A 9 -1.474 10.132 -1.235 1.00 0.00 C ATOM 89 CE LYS A 9 -2.855 10.646 -0.858 1.00 0.00 C ATOM 90 NZ LYS A 9 -3.466 11.450 -1.953 1.00 0.00 N ATOM 0 H LYS A 9 -0.263 11.205 -3.384 1.00 0.00 H new ATOM 0 HA LYS A 9 1.667 8.976 -3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.313 7.493 -3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.376 8.406 -1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.959 9.546 -3.242 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.235 8.296 -2.045 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.994 9.699 -0.358 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.851 10.965 -1.561 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.504 9.803 -0.621 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.782 11.255 0.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.161 12.112 -1.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.723 11.985 -2.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.941 10.815 -2.626 1.00 0.00 H new ATOM 104 N PRO A 10 0.895 9.479 -6.054 1.00 0.00 N ATOM 105 CA PRO A 10 0.503 9.362 -7.462 1.00 0.00 C ATOM 106 C PRO A 10 0.374 7.911 -7.910 1.00 0.00 C ATOM 107 O PRO A 10 -0.154 7.627 -8.985 1.00 0.00 O ATOM 108 CB PRO A 10 1.650 10.051 -8.207 1.00 0.00 C ATOM 109 CG PRO A 10 2.822 9.928 -7.296 1.00 0.00 C ATOM 110 CD PRO A 10 2.268 9.988 -5.899 1.00 0.00 C ATOM 0 HA PRO A 10 -0.475 9.805 -7.651 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.843 9.572 -9.167 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.417 11.096 -8.413 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.352 8.991 -7.466 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.536 10.733 -7.468 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.848 9.375 -5.210 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.278 11.005 -5.506 1.00 0.00 H new ATOM 118 N TYR A 11 0.857 6.995 -7.078 1.00 0.00 N ATOM 119 CA TYR A 11 0.797 5.571 -7.390 1.00 0.00 C ATOM 120 C TYR A 11 -0.091 4.833 -6.393 1.00 0.00 C ATOM 121 O TYR A 11 0.364 4.420 -5.327 1.00 0.00 O ATOM 122 CB TYR A 11 2.202 4.967 -7.385 1.00 0.00 C ATOM 123 CG TYR A 11 3.251 5.866 -7.998 1.00 0.00 C ATOM 124 CD1 TYR A 11 3.326 6.040 -9.375 1.00 0.00 C ATOM 125 CD2 TYR A 11 4.167 6.542 -7.202 1.00 0.00 C ATOM 126 CE1 TYR A 11 4.283 6.860 -9.941 1.00 0.00 C ATOM 127 CE2 TYR A 11 5.127 7.365 -7.759 1.00 0.00 C ATOM 128 CZ TYR A 11 5.181 7.521 -9.128 1.00 0.00 C ATOM 129 OH TYR A 11 6.136 8.339 -9.687 1.00 0.00 O ATOM 0 H TYR A 11 1.294 7.213 -6.183 1.00 0.00 H new ATOM 0 HA TYR A 11 0.365 5.460 -8.385 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.486 4.739 -6.358 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.184 4.022 -7.928 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.624 5.525 -10.014 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.128 6.422 -6.129 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.328 6.983 -11.013 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.831 7.883 -7.125 1.00 0.00 H new ATOM 0 HH TYR A 11 6.688 8.730 -8.978 1.00 0.00 H new ATOM 139 N GLY A 12 -1.361 4.670 -6.749 1.00 0.00 N ATOM 140 CA GLY A 12 -2.294 3.981 -5.877 1.00 0.00 C ATOM 141 C GLY A 12 -2.892 2.748 -6.525 1.00 0.00 C ATOM 142 O GLY A 12 -3.628 2.849 -7.507 1.00 0.00 O ATOM 0 H GLY A 12 -1.761 5.003 -7.626 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.783 3.693 -4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.095 4.664 -5.595 1.00 0.00 H new ATOM 146 N CYS A 13 -2.575 1.580 -5.977 1.00 0.00 N ATOM 147 CA CYS A 13 -3.084 0.321 -6.509 1.00 0.00 C ATOM 148 C CYS A 13 -4.610 0.318 -6.532 1.00 0.00 C ATOM 149 O CYS A 13 -5.256 0.783 -5.593 1.00 0.00 O ATOM 150 CB CYS A 13 -2.573 -0.854 -5.673 1.00 0.00 C ATOM 151 SG CYS A 13 -3.080 -2.487 -6.299 1.00 0.00 S ATOM 0 H CYS A 13 -1.967 1.479 -5.164 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.722 0.215 -7.532 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.484 -0.813 -5.635 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -2.932 -0.741 -4.650 1.00 0.00 H new ATOM 156 N SER A 14 -5.179 -0.209 -7.612 1.00 0.00 N ATOM 157 CA SER A 14 -6.628 -0.270 -7.760 1.00 0.00 C ATOM 158 C SER A 14 -7.156 -1.648 -7.373 1.00 0.00 C ATOM 159 O SER A 14 -8.283 -1.780 -6.896 1.00 0.00 O ATOM 160 CB SER A 14 -7.029 0.057 -9.200 1.00 0.00 C ATOM 161 OG SER A 14 -7.222 1.450 -9.372 1.00 0.00 O ATOM 0 H SER A 14 -4.658 -0.600 -8.397 1.00 0.00 H new ATOM 0 HA SER A 14 -7.068 0.469 -7.091 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.256 -0.293 -9.884 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.946 -0.475 -9.455 1.00 0.00 H new ATOM 0 HG SER A 14 -7.476 1.633 -10.301 1.00 0.00 H new ATOM 167 N GLU A 15 -6.333 -2.670 -7.582 1.00 0.00 N ATOM 168 CA GLU A 15 -6.718 -4.039 -7.257 1.00 0.00 C ATOM 169 C GLU A 15 -7.247 -4.130 -5.828 1.00 0.00 C ATOM 170 O GLU A 15 -8.380 -4.554 -5.599 1.00 0.00 O ATOM 171 CB GLU A 15 -5.526 -4.982 -7.432 1.00 0.00 C ATOM 172 CG GLU A 15 -5.136 -5.207 -8.883 1.00 0.00 C ATOM 173 CD GLU A 15 -5.883 -6.366 -9.515 1.00 0.00 C ATOM 174 OE1 GLU A 15 -6.025 -7.413 -8.848 1.00 0.00 O ATOM 175 OE2 GLU A 15 -6.324 -6.227 -10.674 1.00 0.00 O ATOM 0 H GLU A 15 -5.396 -2.577 -7.974 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.513 -4.338 -7.940 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.670 -4.576 -6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.763 -5.943 -6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.332 -4.299 -9.453 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.064 -5.395 -8.942 1.00 0.00 H new ATOM 182 N CYS A 16 -6.418 -3.728 -4.870 1.00 0.00 N ATOM 183 CA CYS A 16 -6.800 -3.765 -3.463 1.00 0.00 C ATOM 184 C CYS A 16 -7.188 -2.374 -2.969 1.00 0.00 C ATOM 185 O CYS A 16 -8.196 -2.206 -2.284 1.00 0.00 O ATOM 186 CB CYS A 16 -5.652 -4.318 -2.616 1.00 0.00 C ATOM 187 SG CYS A 16 -4.135 -3.311 -2.671 1.00 0.00 S ATOM 0 H CYS A 16 -5.477 -3.373 -5.042 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.665 -4.421 -3.363 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.984 -4.399 -1.581 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -5.418 -5.327 -2.955 1.00 0.00 H new ATOM 192 N GLY A 17 -6.379 -1.379 -3.322 1.00 0.00 N ATOM 193 CA GLY A 17 -6.654 -0.017 -2.906 1.00 0.00 C ATOM 194 C GLY A 17 -5.590 0.532 -1.977 1.00 0.00 C ATOM 195 O GLY A 17 -5.901 1.175 -0.974 1.00 0.00 O ATOM 0 H GLY A 17 -5.538 -1.493 -3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.727 0.621 -3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.622 0.018 -2.406 1.00 0.00 H new ATOM 199 N LYS A 18 -4.328 0.276 -2.308 1.00 0.00 N ATOM 200 CA LYS A 18 -3.213 0.748 -1.496 1.00 0.00 C ATOM 201 C LYS A 18 -2.465 1.875 -2.201 1.00 0.00 C ATOM 202 O LYS A 18 -2.594 2.056 -3.411 1.00 0.00 O ATOM 203 CB LYS A 18 -2.252 -0.405 -1.193 1.00 0.00 C ATOM 204 CG LYS A 18 -2.758 -1.352 -0.119 1.00 0.00 C ATOM 205 CD LYS A 18 -1.801 -2.513 0.096 1.00 0.00 C ATOM 206 CE LYS A 18 -2.341 -3.497 1.123 1.00 0.00 C ATOM 207 NZ LYS A 18 -1.292 -4.447 1.585 1.00 0.00 N ATOM 0 H LYS A 18 -4.053 -0.256 -3.133 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.616 1.133 -0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.074 -0.969 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.292 0.006 -0.880 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.887 -0.807 0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.738 -1.735 -0.403 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.634 -3.028 -0.850 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.835 -2.133 0.428 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.737 -2.949 1.978 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.171 -4.055 0.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.699 -5.101 2.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.932 -4.988 0.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.511 -3.917 2.021 1.00 0.00 H new ATOM 221 N ALA A 19 -1.683 2.629 -1.435 1.00 0.00 N ATOM 222 CA ALA A 19 -0.912 3.736 -1.988 1.00 0.00 C ATOM 223 C ALA A 19 0.577 3.558 -1.714 1.00 0.00 C ATOM 224 O ALA A 19 0.967 2.915 -0.740 1.00 0.00 O ATOM 225 CB ALA A 19 -1.402 5.058 -1.414 1.00 0.00 C ATOM 0 H ALA A 19 -1.567 2.494 -0.431 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.057 3.745 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.818 5.876 -1.835 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.454 5.196 -1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.286 5.049 -0.330 1.00 0.00 H new ATOM 231 N PHE A 20 1.406 4.131 -2.582 1.00 0.00 N ATOM 232 CA PHE A 20 2.853 4.034 -2.435 1.00 0.00 C ATOM 233 C PHE A 20 3.534 5.319 -2.896 1.00 0.00 C ATOM 234 O PHE A 20 3.500 5.662 -4.078 1.00 0.00 O ATOM 235 CB PHE A 20 3.389 2.843 -3.233 1.00 0.00 C ATOM 236 CG PHE A 20 2.540 1.610 -3.114 1.00 0.00 C ATOM 237 CD1 PHE A 20 1.365 1.490 -3.838 1.00 0.00 C ATOM 238 CD2 PHE A 20 2.917 0.572 -2.278 1.00 0.00 C ATOM 239 CE1 PHE A 20 0.581 0.357 -3.731 1.00 0.00 C ATOM 240 CE2 PHE A 20 2.137 -0.564 -2.167 1.00 0.00 C ATOM 241 CZ PHE A 20 0.967 -0.671 -2.894 1.00 0.00 C ATOM 0 H PHE A 20 1.100 4.667 -3.394 1.00 0.00 H new ATOM 0 HA PHE A 20 3.077 3.885 -1.379 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.463 3.124 -4.284 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.399 2.613 -2.893 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.058 2.291 -4.494 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.830 0.651 -1.707 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.332 0.276 -4.301 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.442 -1.367 -1.513 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.356 -1.557 -2.808 1.00 0.00 H new ATOM 251 N ARG A 21 4.152 6.025 -1.955 1.00 0.00 N ATOM 252 CA ARG A 21 4.839 7.273 -2.265 1.00 0.00 C ATOM 253 C ARG A 21 5.676 7.133 -3.533 1.00 0.00 C ATOM 254 O ARG A 21 5.723 8.043 -4.361 1.00 0.00 O ATOM 255 CB ARG A 21 5.733 7.691 -1.095 1.00 0.00 C ATOM 256 CG ARG A 21 6.767 6.645 -0.715 1.00 0.00 C ATOM 257 CD ARG A 21 7.567 7.070 0.507 1.00 0.00 C ATOM 258 NE ARG A 21 6.721 7.229 1.687 1.00 0.00 N ATOM 259 CZ ARG A 21 7.195 7.464 2.905 1.00 0.00 C ATOM 260 NH1 ARG A 21 8.502 7.567 3.103 1.00 0.00 N ATOM 261 NH2 ARG A 21 6.361 7.596 3.929 1.00 0.00 N ATOM 0 H ARG A 21 4.191 5.754 -0.972 1.00 0.00 H new ATOM 0 HA ARG A 21 4.085 8.042 -2.431 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.245 8.618 -1.353 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.107 7.903 -0.228 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.269 5.696 -0.513 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.443 6.479 -1.554 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.338 6.328 0.711 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.077 8.010 0.297 1.00 0.00 H new ATOM 0 HE ARG A 21 5.711 7.155 1.569 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.146 7.466 2.319 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.863 7.748 4.040 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.355 7.517 3.781 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.726 7.776 4.864 1.00 0.00 H new ATOM 275 N SER A 22 6.335 5.988 -3.677 1.00 0.00 N ATOM 276 CA SER A 22 7.173 5.730 -4.842 1.00 0.00 C ATOM 277 C SER A 22 6.557 4.652 -5.728 1.00 0.00 C ATOM 278 O SER A 22 5.956 3.696 -5.236 1.00 0.00 O ATOM 279 CB SER A 22 8.576 5.305 -4.404 1.00 0.00 C ATOM 280 OG SER A 22 9.488 5.362 -5.487 1.00 0.00 O ATOM 0 H SER A 22 6.305 5.224 -3.002 1.00 0.00 H new ATOM 0 HA SER A 22 7.243 6.653 -5.418 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.921 5.954 -3.599 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.544 4.291 -4.004 1.00 0.00 H new ATOM 0 HG SER A 22 9.814 4.460 -5.688 1.00 0.00 H new ATOM 286 N LYS A 23 6.709 4.813 -7.038 1.00 0.00 N ATOM 287 CA LYS A 23 6.169 3.854 -7.995 1.00 0.00 C ATOM 288 C LYS A 23 6.725 2.457 -7.739 1.00 0.00 C ATOM 289 O LYS A 23 5.983 1.476 -7.723 1.00 0.00 O ATOM 290 CB LYS A 23 6.496 4.291 -9.425 1.00 0.00 C ATOM 291 CG LYS A 23 7.982 4.477 -9.679 1.00 0.00 C ATOM 292 CD LYS A 23 8.260 4.821 -11.133 1.00 0.00 C ATOM 293 CE LYS A 23 9.753 4.885 -11.415 1.00 0.00 C ATOM 294 NZ LYS A 23 10.367 6.127 -10.868 1.00 0.00 N ATOM 0 H LYS A 23 7.202 5.599 -7.462 1.00 0.00 H new ATOM 0 HA LYS A 23 5.087 3.823 -7.869 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.107 3.548 -10.121 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.980 5.227 -9.637 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.365 5.270 -9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.515 3.564 -9.412 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.798 4.074 -11.779 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.801 5.780 -11.375 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.243 4.015 -10.978 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.922 4.840 -12.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.385 6.134 -11.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.917 6.957 -11.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.228 6.158 -9.838 1.00 0.00 H new ATOM 308 N SER A 24 8.037 2.376 -7.537 1.00 0.00 N ATOM 309 CA SER A 24 8.693 1.098 -7.283 1.00 0.00 C ATOM 310 C SER A 24 7.949 0.309 -6.210 1.00 0.00 C ATOM 311 O SER A 24 7.639 -0.868 -6.393 1.00 0.00 O ATOM 312 CB SER A 24 10.144 1.322 -6.854 1.00 0.00 C ATOM 313 OG SER A 24 10.213 2.140 -5.698 1.00 0.00 O ATOM 0 H SER A 24 8.666 3.179 -7.544 1.00 0.00 H new ATOM 0 HA SER A 24 8.680 0.521 -8.208 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.620 0.362 -6.653 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.699 1.789 -7.668 1.00 0.00 H new ATOM 0 HG SER A 24 11.151 2.267 -5.443 1.00 0.00 H new ATOM 319 N TYR A 25 7.666 0.966 -5.091 1.00 0.00 N ATOM 320 CA TYR A 25 6.961 0.326 -3.987 1.00 0.00 C ATOM 321 C TYR A 25 5.716 -0.401 -4.484 1.00 0.00 C ATOM 322 O TYR A 25 5.467 -1.551 -4.121 1.00 0.00 O ATOM 323 CB TYR A 25 6.573 1.365 -2.933 1.00 0.00 C ATOM 324 CG TYR A 25 7.643 1.599 -1.890 1.00 0.00 C ATOM 325 CD1 TYR A 25 8.250 0.532 -1.239 1.00 0.00 C ATOM 326 CD2 TYR A 25 8.045 2.886 -1.556 1.00 0.00 C ATOM 327 CE1 TYR A 25 9.228 0.741 -0.285 1.00 0.00 C ATOM 328 CE2 TYR A 25 9.022 3.104 -0.604 1.00 0.00 C ATOM 329 CZ TYR A 25 9.611 2.029 0.028 1.00 0.00 C ATOM 330 OH TYR A 25 10.584 2.242 0.978 1.00 0.00 O ATOM 0 H TYR A 25 7.914 1.941 -4.924 1.00 0.00 H new ATOM 0 HA TYR A 25 7.631 -0.407 -3.537 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.350 2.309 -3.430 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.658 1.042 -2.436 1.00 0.00 H new ATOM 0 HD1 TYR A 25 7.953 -0.477 -1.482 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.586 3.730 -2.049 1.00 0.00 H new ATOM 0 HE1 TYR A 25 9.690 -0.099 0.213 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.323 4.111 -0.356 1.00 0.00 H new ATOM 0 HH TYR A 25 10.737 3.205 1.079 1.00 0.00 H new ATOM 340 N LEU A 26 4.935 0.278 -5.317 1.00 0.00 N ATOM 341 CA LEU A 26 3.715 -0.302 -5.866 1.00 0.00 C ATOM 342 C LEU A 26 4.020 -1.577 -6.645 1.00 0.00 C ATOM 343 O LEU A 26 3.515 -2.652 -6.318 1.00 0.00 O ATOM 344 CB LEU A 26 3.011 0.708 -6.775 1.00 0.00 C ATOM 345 CG LEU A 26 1.900 0.149 -7.665 1.00 0.00 C ATOM 346 CD1 LEU A 26 0.744 -0.360 -6.819 1.00 0.00 C ATOM 347 CD2 LEU A 26 1.420 1.209 -8.646 1.00 0.00 C ATOM 0 H LEU A 26 5.125 1.231 -5.627 1.00 0.00 H new ATOM 0 HA LEU A 26 3.057 -0.555 -5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.588 1.495 -6.151 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.760 1.176 -7.414 1.00 0.00 H new ATOM 0 HG LEU A 26 2.303 -0.689 -8.234 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.037 -0.754 -7.469 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.098 -1.150 -6.157 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.341 0.459 -6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.629 0.794 -9.272 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.034 2.067 -8.095 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.252 1.526 -9.275 1.00 0.00 H new ATOM 359 N ILE A 27 4.852 -1.451 -7.674 1.00 0.00 N ATOM 360 CA ILE A 27 5.227 -2.595 -8.496 1.00 0.00 C ATOM 361 C ILE A 27 5.582 -3.800 -7.633 1.00 0.00 C ATOM 362 O ILE A 27 5.019 -4.883 -7.798 1.00 0.00 O ATOM 363 CB ILE A 27 6.421 -2.263 -9.411 1.00 0.00 C ATOM 364 CG1 ILE A 27 6.080 -1.082 -10.322 1.00 0.00 C ATOM 365 CG2 ILE A 27 6.811 -3.480 -10.236 1.00 0.00 C ATOM 366 CD1 ILE A 27 7.287 -0.265 -10.730 1.00 0.00 C ATOM 0 H ILE A 27 5.279 -0.569 -7.958 1.00 0.00 H new ATOM 0 HA ILE A 27 4.362 -2.837 -9.114 1.00 0.00 H new ATOM 0 HB ILE A 27 7.271 -1.984 -8.788 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.585 -1.456 -11.218 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.368 -0.433 -9.811 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.656 -3.229 -10.877 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.090 -4.297 -9.570 1.00 0.00 H new ATOM 0 HG23 ILE A 27 5.966 -3.788 -10.853 1.00 0.00 H new ATOM 0 HD11 ILE A 27 6.970 0.555 -11.375 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.771 0.139 -9.841 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.991 -0.900 -11.269 1.00 0.00 H new ATOM 378 N ILE A 28 6.518 -3.605 -6.710 1.00 0.00 N ATOM 379 CA ILE A 28 6.946 -4.675 -5.818 1.00 0.00 C ATOM 380 C ILE A 28 5.749 -5.380 -5.190 1.00 0.00 C ATOM 381 O ILE A 28 5.809 -6.568 -4.875 1.00 0.00 O ATOM 382 CB ILE A 28 7.860 -4.143 -4.698 1.00 0.00 C ATOM 383 CG1 ILE A 28 9.142 -3.556 -5.291 1.00 0.00 C ATOM 384 CG2 ILE A 28 8.186 -5.252 -3.709 1.00 0.00 C ATOM 385 CD1 ILE A 28 9.827 -2.559 -4.383 1.00 0.00 C ATOM 0 H ILE A 28 6.994 -2.716 -6.561 1.00 0.00 H new ATOM 0 HA ILE A 28 7.506 -5.386 -6.425 1.00 0.00 H new ATOM 0 HB ILE A 28 7.334 -3.351 -4.165 1.00 0.00 H new ATOM 0 HG12 ILE A 28 9.834 -4.368 -5.514 1.00 0.00 H new ATOM 0 HG13 ILE A 28 8.905 -3.070 -6.238 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.833 -4.861 -2.924 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.263 -5.627 -3.266 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.696 -6.064 -4.228 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.728 -2.184 -4.868 1.00 0.00 H new ATOM 0 HD12 ILE A 28 9.152 -1.728 -4.180 1.00 0.00 H new ATOM 0 HD13 ILE A 28 10.095 -3.045 -3.445 1.00 0.00 H new ATOM 397 N HIS A 29 4.659 -4.639 -5.013 1.00 0.00 N ATOM 398 CA HIS A 29 3.445 -5.193 -4.425 1.00 0.00 C ATOM 399 C HIS A 29 2.590 -5.877 -5.487 1.00 0.00 C ATOM 400 O HIS A 29 2.150 -7.012 -5.307 1.00 0.00 O ATOM 401 CB HIS A 29 2.638 -4.092 -3.735 1.00 0.00 C ATOM 402 CG HIS A 29 1.169 -4.376 -3.673 1.00 0.00 C ATOM 403 ND1 HIS A 29 0.600 -5.197 -2.722 1.00 0.00 N ATOM 404 CD2 HIS A 29 0.150 -3.940 -4.451 1.00 0.00 C ATOM 405 CE1 HIS A 29 -0.705 -5.255 -2.919 1.00 0.00 C ATOM 406 NE2 HIS A 29 -1.004 -4.501 -3.961 1.00 0.00 N ATOM 0 H HIS A 29 4.592 -3.654 -5.268 1.00 0.00 H new ATOM 0 HA HIS A 29 3.737 -5.937 -3.684 1.00 0.00 H new ATOM 0 HB2 HIS A 29 3.017 -3.956 -2.722 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.796 -3.152 -4.263 1.00 0.00 H new ATOM 0 HD1 HIS A 29 1.107 -5.683 -1.983 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.230 -3.275 -5.298 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.408 -5.823 -2.328 1.00 0.00 H new ATOM 414 N MET A 30 2.358 -5.178 -6.593 1.00 0.00 N ATOM 415 CA MET A 30 1.556 -5.718 -7.685 1.00 0.00 C ATOM 416 C MET A 30 1.781 -7.219 -7.833 1.00 0.00 C ATOM 417 O MET A 30 0.864 -7.962 -8.184 1.00 0.00 O ATOM 418 CB MET A 30 1.896 -5.008 -8.996 1.00 0.00 C ATOM 419 CG MET A 30 1.512 -3.537 -9.008 1.00 0.00 C ATOM 420 SD MET A 30 1.172 -2.921 -10.668 1.00 0.00 S ATOM 421 CE MET A 30 -0.444 -3.633 -10.969 1.00 0.00 C ATOM 0 H MET A 30 2.714 -4.236 -6.757 1.00 0.00 H new ATOM 0 HA MET A 30 0.505 -5.547 -7.450 1.00 0.00 H new ATOM 0 HB2 MET A 30 2.967 -5.097 -9.181 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.388 -5.514 -9.816 1.00 0.00 H new ATOM 0 HG2 MET A 30 0.631 -3.390 -8.383 1.00 0.00 H new ATOM 0 HG3 MET A 30 2.318 -2.952 -8.565 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.890 -3.165 -11.846 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.343 -4.705 -11.142 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.083 -3.464 -10.103 1.00 0.00 H new ATOM 431 N ARG A 31 3.006 -7.659 -7.564 1.00 0.00 N ATOM 432 CA ARG A 31 3.351 -9.072 -7.669 1.00 0.00 C ATOM 433 C ARG A 31 2.174 -9.951 -7.257 1.00 0.00 C ATOM 434 O ARG A 31 1.748 -10.829 -8.008 1.00 0.00 O ATOM 435 CB ARG A 31 4.568 -9.388 -6.797 1.00 0.00 C ATOM 436 CG ARG A 31 5.790 -8.547 -7.128 1.00 0.00 C ATOM 437 CD ARG A 31 7.012 -9.011 -6.351 1.00 0.00 C ATOM 438 NE ARG A 31 6.755 -9.081 -4.916 1.00 0.00 N ATOM 439 CZ ARG A 31 7.575 -9.665 -4.050 1.00 0.00 C ATOM 440 NH1 ARG A 31 8.699 -10.227 -4.472 1.00 0.00 N ATOM 441 NH2 ARG A 31 7.272 -9.688 -2.758 1.00 0.00 N ATOM 0 H ARG A 31 3.776 -7.057 -7.272 1.00 0.00 H new ATOM 0 HA ARG A 31 3.594 -9.285 -8.710 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.304 -9.234 -5.751 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.821 -10.442 -6.910 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.994 -8.604 -8.197 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.587 -7.501 -6.898 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.320 -9.992 -6.712 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.841 -8.328 -6.538 1.00 0.00 H new ATOM 0 HE ARG A 31 5.898 -8.658 -4.559 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.936 -10.211 -5.464 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.327 -10.675 -3.805 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.408 -9.257 -2.429 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.903 -10.137 -2.094 1.00 0.00 H new ATOM 455 N THR A 32 1.653 -9.710 -6.058 1.00 0.00 N ATOM 456 CA THR A 32 0.527 -10.480 -5.545 1.00 0.00 C ATOM 457 C THR A 32 -0.632 -10.485 -6.535 1.00 0.00 C ATOM 458 O THR A 32 -1.132 -11.545 -6.915 1.00 0.00 O ATOM 459 CB THR A 32 0.032 -9.922 -4.197 1.00 0.00 C ATOM 460 OG1 THR A 32 -0.339 -8.547 -4.342 1.00 0.00 O ATOM 461 CG2 THR A 32 1.109 -10.052 -3.130 1.00 0.00 C ATOM 0 H THR A 32 1.993 -8.987 -5.424 1.00 0.00 H new ATOM 0 HA THR A 32 0.882 -11.500 -5.400 1.00 0.00 H new ATOM 0 HB THR A 32 -0.838 -10.501 -3.886 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.450 -8.019 -4.586 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.737 -9.652 -2.187 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.368 -11.103 -3.001 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.994 -9.495 -3.437 1.00 0.00 H new ATOM 469 N HIS A 33 -1.055 -9.296 -6.951 1.00 0.00 N ATOM 470 CA HIS A 33 -2.156 -9.164 -7.899 1.00 0.00 C ATOM 471 C HIS A 33 -1.796 -9.798 -9.240 1.00 0.00 C ATOM 472 O HIS A 33 -2.452 -10.738 -9.691 1.00 0.00 O ATOM 473 CB HIS A 33 -2.512 -7.691 -8.098 1.00 0.00 C ATOM 474 CG HIS A 33 -3.040 -7.030 -6.862 1.00 0.00 C ATOM 475 ND1 HIS A 33 -4.058 -7.563 -6.100 1.00 0.00 N ATOM 476 CD2 HIS A 33 -2.683 -5.874 -6.255 1.00 0.00 C ATOM 477 CE1 HIS A 33 -4.306 -6.763 -5.079 1.00 0.00 C ATOM 478 NE2 HIS A 33 -3.485 -5.730 -5.149 1.00 0.00 N ATOM 0 H HIS A 33 -0.652 -8.410 -6.647 1.00 0.00 H new ATOM 0 HA HIS A 33 -3.020 -9.686 -7.489 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.626 -7.154 -8.437 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.256 -7.609 -8.890 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -4.544 -8.439 -6.295 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.911 -5.192 -6.580 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.053 -6.925 -4.316 1.00 0.00 H new ATOM 486 N THR A 34 -0.750 -9.278 -9.874 1.00 0.00 N ATOM 487 CA THR A 34 -0.305 -9.791 -11.163 1.00 0.00 C ATOM 488 C THR A 34 -0.430 -11.309 -11.224 1.00 0.00 C ATOM 489 O THR A 34 -0.435 -11.983 -10.194 1.00 0.00 O ATOM 490 CB THR A 34 1.156 -9.396 -11.451 1.00 0.00 C ATOM 491 OG1 THR A 34 2.017 -9.936 -10.443 1.00 0.00 O ATOM 492 CG2 THR A 34 1.308 -7.883 -11.498 1.00 0.00 C ATOM 0 H THR A 34 -0.195 -8.501 -9.515 1.00 0.00 H new ATOM 0 HA THR A 34 -0.950 -9.345 -11.920 1.00 0.00 H new ATOM 0 HB THR A 34 1.435 -9.804 -12.423 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.481 -10.225 -9.675 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.348 -7.628 -11.703 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.673 -7.478 -12.286 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.012 -7.458 -10.539 1.00 0.00 H new ATOM 500 N GLY A 35 -0.530 -11.842 -12.438 1.00 0.00 N ATOM 501 CA GLY A 35 -0.653 -13.278 -12.609 1.00 0.00 C ATOM 502 C GLY A 35 0.310 -14.052 -11.731 1.00 0.00 C ATOM 503 O GLY A 35 1.525 -13.955 -11.897 1.00 0.00 O ATOM 0 H GLY A 35 -0.528 -11.305 -13.305 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.674 -13.582 -12.378 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.473 -13.533 -13.653 1.00 0.00 H new ATOM 507 N GLU A 36 -0.234 -14.821 -10.793 1.00 0.00 N ATOM 508 CA GLU A 36 0.587 -15.612 -9.883 1.00 0.00 C ATOM 509 C GLU A 36 0.212 -17.089 -9.958 1.00 0.00 C ATOM 510 O GLU A 36 -0.866 -17.445 -10.434 1.00 0.00 O ATOM 511 CB GLU A 36 0.429 -15.106 -8.448 1.00 0.00 C ATOM 512 CG GLU A 36 -0.974 -15.280 -7.892 1.00 0.00 C ATOM 513 CD GLU A 36 -0.998 -15.331 -6.376 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.257 -14.551 -5.743 1.00 0.00 O ATOM 515 OE2 GLU A 36 -1.760 -16.152 -5.824 1.00 0.00 O ATOM 0 H GLU A 36 -1.239 -14.913 -10.643 1.00 0.00 H new ATOM 0 HA GLU A 36 1.628 -15.503 -10.186 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.133 -15.635 -7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.696 -14.050 -8.413 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.601 -14.457 -8.234 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.407 -16.198 -8.290 1.00 0.00 H new ATOM 522 N LYS A 37 1.110 -17.946 -9.483 1.00 0.00 N ATOM 523 CA LYS A 37 0.875 -19.385 -9.494 1.00 0.00 C ATOM 524 C LYS A 37 -0.582 -19.701 -9.173 1.00 0.00 C ATOM 525 O LYS A 37 -1.222 -19.034 -8.360 1.00 0.00 O ATOM 526 CB LYS A 37 1.794 -20.080 -8.486 1.00 0.00 C ATOM 527 CG LYS A 37 1.871 -19.371 -7.145 1.00 0.00 C ATOM 528 CD LYS A 37 2.680 -20.171 -6.137 1.00 0.00 C ATOM 529 CE LYS A 37 2.306 -19.808 -4.708 1.00 0.00 C ATOM 530 NZ LYS A 37 2.848 -18.479 -4.314 1.00 0.00 N ATOM 0 H LYS A 37 2.007 -17.669 -9.086 1.00 0.00 H new ATOM 0 HA LYS A 37 1.096 -19.757 -10.494 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.442 -21.100 -8.329 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.796 -20.150 -8.909 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.323 -18.388 -7.278 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.864 -19.210 -6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.513 -21.236 -6.298 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.743 -19.987 -6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.221 -19.802 -4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.685 -20.571 -4.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.572 -18.268 -3.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.885 -18.492 -4.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.466 -17.747 -4.947 1.00 0.00 H new ATOM 544 N PRO A 38 -1.119 -20.744 -9.823 1.00 0.00 N ATOM 545 CA PRO A 38 -2.506 -21.174 -9.620 1.00 0.00 C ATOM 546 C PRO A 38 -2.726 -21.792 -8.244 1.00 0.00 C ATOM 547 O PRO A 38 -3.646 -21.410 -7.521 1.00 0.00 O ATOM 548 CB PRO A 38 -2.717 -22.220 -10.717 1.00 0.00 C ATOM 549 CG PRO A 38 -1.352 -22.741 -11.011 1.00 0.00 C ATOM 550 CD PRO A 38 -0.414 -21.585 -10.805 1.00 0.00 C ATOM 0 HA PRO A 38 -3.204 -20.338 -9.670 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.381 -23.017 -10.382 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.171 -21.778 -11.604 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.100 -23.570 -10.350 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.289 -23.117 -12.032 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.554 -21.915 -10.429 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.229 -21.047 -11.735 1.00 0.00 H new ATOM 558 N SER A 39 -1.876 -22.750 -7.888 1.00 0.00 N ATOM 559 CA SER A 39 -1.980 -23.424 -6.599 1.00 0.00 C ATOM 560 C SER A 39 -1.188 -22.678 -5.530 1.00 0.00 C ATOM 561 O SER A 39 0.042 -22.689 -5.532 1.00 0.00 O ATOM 562 CB SER A 39 -1.477 -24.864 -6.711 1.00 0.00 C ATOM 563 OG SER A 39 -0.105 -24.899 -7.067 1.00 0.00 O ATOM 0 H SER A 39 -1.108 -23.077 -8.474 1.00 0.00 H new ATOM 0 HA SER A 39 -3.030 -23.435 -6.306 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.623 -25.378 -5.761 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.063 -25.400 -7.457 1.00 0.00 H new ATOM 0 HG SER A 39 0.370 -24.175 -6.609 1.00 0.00 H new ATOM 569 N GLY A 40 -1.904 -22.029 -4.616 1.00 0.00 N ATOM 570 CA GLY A 40 -1.252 -21.286 -3.554 1.00 0.00 C ATOM 571 C GLY A 40 -1.260 -22.033 -2.235 1.00 0.00 C ATOM 572 O GLY A 40 -0.392 -22.863 -1.962 1.00 0.00 O ATOM 0 H GLY A 40 -2.923 -22.005 -4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.222 -21.074 -3.842 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.751 -20.325 -3.427 1.00 0.00 H new ATOM 576 N PRO A 41 -2.258 -21.738 -1.389 1.00 0.00 N ATOM 577 CA PRO A 41 -2.398 -22.376 -0.076 1.00 0.00 C ATOM 578 C PRO A 41 -2.794 -23.844 -0.185 1.00 0.00 C ATOM 579 O PRO A 41 -2.172 -24.712 0.428 1.00 0.00 O ATOM 580 CB PRO A 41 -3.514 -21.569 0.593 1.00 0.00 C ATOM 581 CG PRO A 41 -4.308 -21.011 -0.537 1.00 0.00 C ATOM 582 CD PRO A 41 -3.326 -20.758 -1.648 1.00 0.00 C ATOM 0 HA PRO A 41 -1.461 -22.375 0.480 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -4.129 -22.200 1.235 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.107 -20.776 1.221 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.083 -21.710 -0.852 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.811 -20.090 -0.243 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.780 -20.908 -2.628 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.948 -19.736 -1.625 1.00 0.00 H new ATOM 590 N SER A 42 -3.832 -24.116 -0.969 1.00 0.00 N ATOM 591 CA SER A 42 -4.313 -25.480 -1.156 1.00 0.00 C ATOM 592 C SER A 42 -4.986 -25.638 -2.516 1.00 0.00 C ATOM 593 O SER A 42 -5.336 -24.652 -3.165 1.00 0.00 O ATOM 594 CB SER A 42 -5.294 -25.854 -0.043 1.00 0.00 C ATOM 595 OG SER A 42 -6.359 -24.923 0.033 1.00 0.00 O ATOM 0 H SER A 42 -4.356 -23.410 -1.485 1.00 0.00 H new ATOM 0 HA SER A 42 -3.454 -26.150 -1.115 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.692 -26.852 -0.225 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.769 -25.889 0.912 1.00 0.00 H new ATOM 0 HG SER A 42 -6.972 -25.186 0.751 1.00 0.00 H new ATOM 601 N SER A 43 -5.163 -26.885 -2.940 1.00 0.00 N ATOM 602 CA SER A 43 -5.790 -27.173 -4.225 1.00 0.00 C ATOM 603 C SER A 43 -7.077 -27.970 -4.034 1.00 0.00 C ATOM 604 O SER A 43 -7.121 -28.923 -3.257 1.00 0.00 O ATOM 605 CB SER A 43 -4.825 -27.948 -5.125 1.00 0.00 C ATOM 606 OG SER A 43 -4.700 -29.293 -4.699 1.00 0.00 O ATOM 0 H SER A 43 -4.881 -27.712 -2.413 1.00 0.00 H new ATOM 0 HA SER A 43 -6.038 -26.225 -4.702 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.182 -27.921 -6.155 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.847 -27.467 -5.114 1.00 0.00 H new ATOM 0 HG SER A 43 -4.080 -29.767 -5.291 1.00 0.00 H new ATOM 612 N GLY A 44 -8.124 -27.572 -4.751 1.00 0.00 N ATOM 613 CA GLY A 44 -9.398 -28.259 -4.647 1.00 0.00 C ATOM 614 C GLY A 44 -10.530 -27.328 -4.261 1.00 0.00 C ATOM 615 O GLY A 44 -10.413 -26.627 -3.257 1.00 0.00 O ATOM 0 H GLY A 44 -8.112 -26.786 -5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.631 -28.733 -5.601 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.318 -29.055 -3.907 1.00 0.00 H new TER 619 GLY A 44 HETATM 620 ZN ZN A 201 -2.970 -4.006 -4.507 1.00 0.00 ZN