USER MOD reduce.3.24.130724 H: found=0, std=0, add=306, rem=0, adj=17 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 32 THR OG1 : rot 180:sc= 0.0134 USER MOD Set 1.2: A 37 LYS NZ :NH3+ -127:sc= 0.0123 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 19:sc= 0.213 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.226) 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+ -158:sc= 0.277 (180deg=-0.492) USER MOD Single : A 22 SER OG : rot 42:sc= 1.11 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 17:sc= 0.584 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.856 7.615 5.066 1.00 0.00 N ATOM 2 CA GLY A 1 -11.929 8.637 4.618 1.00 0.00 C ATOM 3 C GLY A 1 -11.993 8.861 3.120 1.00 0.00 C ATOM 4 O GLY A 1 -11.272 8.219 2.357 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.774 7.499 6.096 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.827 7.898 4.826 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.632 6.714 4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.149 9.573 5.132 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.915 8.351 4.897 1.00 0.00 H new ATOM 8 N SER A 2 -12.862 9.775 2.697 1.00 0.00 N ATOM 9 CA SER A 2 -13.022 10.079 1.280 1.00 0.00 C ATOM 10 C SER A 2 -11.964 11.075 0.815 1.00 0.00 C ATOM 11 O SER A 2 -11.303 10.865 -0.202 1.00 0.00 O ATOM 12 CB SER A 2 -14.420 10.640 1.012 1.00 0.00 C ATOM 13 OG SER A 2 -14.764 10.519 -0.357 1.00 0.00 O ATOM 0 H SER A 2 -13.465 10.317 3.315 1.00 0.00 H new ATOM 0 HA SER A 2 -12.896 9.153 0.719 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.151 10.110 1.622 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.458 11.688 1.308 1.00 0.00 H new ATOM 0 HG SER A 2 -15.662 10.883 -0.502 1.00 0.00 H new ATOM 19 N SER A 3 -11.811 12.160 1.567 1.00 0.00 N ATOM 20 CA SER A 3 -10.836 13.191 1.231 1.00 0.00 C ATOM 21 C SER A 3 -10.297 13.861 2.491 1.00 0.00 C ATOM 22 O SER A 3 -10.863 13.717 3.574 1.00 0.00 O ATOM 23 CB SER A 3 -11.468 14.239 0.313 1.00 0.00 C ATOM 24 OG SER A 3 -11.485 13.795 -1.033 1.00 0.00 O ATOM 0 H SER A 3 -12.349 12.348 2.413 1.00 0.00 H new ATOM 0 HA SER A 3 -10.005 12.715 0.710 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.485 14.449 0.643 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.910 15.173 0.384 1.00 0.00 H new ATOM 0 HG SER A 3 -11.367 12.822 -1.058 1.00 0.00 H new ATOM 30 N GLY A 4 -9.199 14.594 2.341 1.00 0.00 N ATOM 31 CA GLY A 4 -8.600 15.276 3.474 1.00 0.00 C ATOM 32 C GLY A 4 -7.515 16.248 3.058 1.00 0.00 C ATOM 33 O GLY A 4 -7.767 17.183 2.297 1.00 0.00 O ATOM 0 H GLY A 4 -8.713 14.728 1.455 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.374 15.813 4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.180 14.538 4.158 1.00 0.00 H new ATOM 37 N SER A 5 -6.303 16.031 3.560 1.00 0.00 N ATOM 38 CA SER A 5 -5.176 16.899 3.241 1.00 0.00 C ATOM 39 C SER A 5 -4.074 16.120 2.529 1.00 0.00 C ATOM 40 O SER A 5 -3.524 16.575 1.527 1.00 0.00 O ATOM 41 CB SER A 5 -4.622 17.540 4.515 1.00 0.00 C ATOM 42 OG SER A 5 -5.468 18.581 4.971 1.00 0.00 O ATOM 0 H SER A 5 -6.077 15.261 4.190 1.00 0.00 H new ATOM 0 HA SER A 5 -5.531 17.684 2.573 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.520 16.783 5.292 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.625 17.935 4.323 1.00 0.00 H new ATOM 0 HG SER A 5 -5.093 18.973 5.787 1.00 0.00 H new ATOM 48 N SER A 6 -3.757 14.941 3.056 1.00 0.00 N ATOM 49 CA SER A 6 -2.719 14.098 2.475 1.00 0.00 C ATOM 50 C SER A 6 -3.193 13.478 1.164 1.00 0.00 C ATOM 51 O SER A 6 -4.369 13.156 1.006 1.00 0.00 O ATOM 52 CB SER A 6 -2.317 12.997 3.457 1.00 0.00 C ATOM 53 OG SER A 6 -1.522 13.516 4.509 1.00 0.00 O ATOM 0 H SER A 6 -4.204 14.548 3.884 1.00 0.00 H new ATOM 0 HA SER A 6 -1.851 14.724 2.268 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.211 12.529 3.870 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.765 12.219 2.930 1.00 0.00 H new ATOM 0 HG SER A 6 -1.280 12.792 5.124 1.00 0.00 H new ATOM 59 N GLY A 7 -2.266 13.315 0.225 1.00 0.00 N ATOM 60 CA GLY A 7 -2.607 12.734 -1.061 1.00 0.00 C ATOM 61 C GLY A 7 -1.385 12.449 -1.911 1.00 0.00 C ATOM 62 O GLY A 7 -1.355 12.775 -3.098 1.00 0.00 O ATOM 0 H GLY A 7 -1.285 13.575 0.332 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.160 11.808 -0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.269 13.413 -1.599 1.00 0.00 H new ATOM 66 N VAL A 8 -0.372 11.840 -1.302 1.00 0.00 N ATOM 67 CA VAL A 8 0.859 11.511 -2.011 1.00 0.00 C ATOM 68 C VAL A 8 0.833 10.074 -2.520 1.00 0.00 C ATOM 69 O VAL A 8 1.823 9.349 -2.417 1.00 0.00 O ATOM 70 CB VAL A 8 2.094 11.702 -1.109 1.00 0.00 C ATOM 71 CG1 VAL A 8 2.070 10.713 0.046 1.00 0.00 C ATOM 72 CG2 VAL A 8 3.373 11.557 -1.920 1.00 0.00 C ATOM 0 H VAL A 8 -0.380 11.565 -0.320 1.00 0.00 H new ATOM 0 HA VAL A 8 0.928 12.193 -2.859 1.00 0.00 H new ATOM 0 HB VAL A 8 2.067 12.709 -0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.950 10.863 0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.170 10.870 0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.073 9.696 -0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.235 11.695 -1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.410 10.563 -2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.391 12.309 -2.709 1.00 0.00 H new ATOM 82 N LYS A 9 -0.305 9.668 -3.072 1.00 0.00 N ATOM 83 CA LYS A 9 -0.462 8.318 -3.600 1.00 0.00 C ATOM 84 C LYS A 9 -0.677 8.347 -5.110 1.00 0.00 C ATOM 85 O LYS A 9 -1.753 8.022 -5.614 1.00 0.00 O ATOM 86 CB LYS A 9 -1.638 7.615 -2.919 1.00 0.00 C ATOM 87 CG LYS A 9 -2.938 8.398 -2.990 1.00 0.00 C ATOM 88 CD LYS A 9 -4.065 7.673 -2.274 1.00 0.00 C ATOM 89 CE LYS A 9 -4.127 8.055 -0.803 1.00 0.00 C ATOM 90 NZ LYS A 9 -4.760 9.388 -0.602 1.00 0.00 N ATOM 0 H LYS A 9 -1.134 10.256 -3.165 1.00 0.00 H new ATOM 0 HA LYS A 9 0.453 7.764 -3.392 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.785 6.640 -3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.388 7.436 -1.873 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.796 9.382 -2.544 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.211 8.557 -4.033 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.015 7.911 -2.753 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.923 6.596 -2.366 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.690 7.299 -0.255 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.119 8.065 -0.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.398 9.816 0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.533 10.005 -1.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.791 9.275 -0.532 1.00 0.00 H new ATOM 104 N PRO A 10 0.369 8.742 -5.850 1.00 0.00 N ATOM 105 CA PRO A 10 0.318 8.820 -7.313 1.00 0.00 C ATOM 106 C PRO A 10 0.252 7.443 -7.965 1.00 0.00 C ATOM 107 O PRO A 10 0.091 7.328 -9.180 1.00 0.00 O ATOM 108 CB PRO A 10 1.630 9.521 -7.677 1.00 0.00 C ATOM 109 CG PRO A 10 2.548 9.218 -6.543 1.00 0.00 C ATOM 110 CD PRO A 10 1.681 9.144 -5.317 1.00 0.00 C ATOM 0 HA PRO A 10 -0.572 9.343 -7.662 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.030 9.149 -8.620 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.486 10.595 -7.794 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.073 8.277 -6.707 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.307 9.993 -6.438 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.062 8.418 -4.599 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.629 10.104 -4.803 1.00 0.00 H new ATOM 118 N TYR A 11 0.378 6.401 -7.150 1.00 0.00 N ATOM 119 CA TYR A 11 0.334 5.032 -7.648 1.00 0.00 C ATOM 120 C TYR A 11 -0.718 4.215 -6.905 1.00 0.00 C ATOM 121 O TYR A 11 -0.617 2.992 -6.808 1.00 0.00 O ATOM 122 CB TYR A 11 1.706 4.370 -7.504 1.00 0.00 C ATOM 123 CG TYR A 11 2.807 5.090 -8.250 1.00 0.00 C ATOM 124 CD1 TYR A 11 3.003 4.879 -9.610 1.00 0.00 C ATOM 125 CD2 TYR A 11 3.651 5.979 -7.597 1.00 0.00 C ATOM 126 CE1 TYR A 11 4.008 5.533 -10.296 1.00 0.00 C ATOM 127 CE2 TYR A 11 4.657 6.639 -8.275 1.00 0.00 C ATOM 128 CZ TYR A 11 4.832 6.412 -9.625 1.00 0.00 C ATOM 129 OH TYR A 11 5.834 7.066 -10.304 1.00 0.00 O ATOM 0 H TYR A 11 0.511 6.479 -6.142 1.00 0.00 H new ATOM 0 HA TYR A 11 0.063 5.065 -8.703 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.967 4.320 -6.447 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.645 3.344 -7.866 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.359 4.192 -10.139 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.518 6.157 -6.540 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.148 5.357 -11.352 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.303 7.329 -7.752 1.00 0.00 H new ATOM 0 HH TYR A 11 6.322 7.649 -9.686 1.00 0.00 H new ATOM 139 N GLY A 12 -1.729 4.901 -6.381 1.00 0.00 N ATOM 140 CA GLY A 12 -2.786 4.224 -5.652 1.00 0.00 C ATOM 141 C GLY A 12 -3.237 2.948 -6.337 1.00 0.00 C ATOM 142 O GLY A 12 -3.726 2.980 -7.466 1.00 0.00 O ATOM 0 H GLY A 12 -1.835 5.913 -6.448 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.437 3.989 -4.646 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.638 4.896 -5.545 1.00 0.00 H new ATOM 146 N CYS A 13 -3.070 1.822 -5.652 1.00 0.00 N ATOM 147 CA CYS A 13 -3.461 0.529 -6.201 1.00 0.00 C ATOM 148 C CYS A 13 -4.965 0.477 -6.454 1.00 0.00 C ATOM 149 O CYS A 13 -5.764 0.524 -5.519 1.00 0.00 O ATOM 150 CB CYS A 13 -3.054 -0.597 -5.248 1.00 0.00 C ATOM 151 SG CYS A 13 -3.977 -2.149 -5.494 1.00 0.00 S ATOM 0 H CYS A 13 -2.667 1.779 -4.716 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.946 0.396 -7.152 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.990 -0.796 -5.372 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.198 -0.260 -4.222 1.00 0.00 H new ATOM 156 N SER A 14 -5.343 0.380 -7.725 1.00 0.00 N ATOM 157 CA SER A 14 -6.751 0.326 -8.101 1.00 0.00 C ATOM 158 C SER A 14 -7.231 -1.119 -8.199 1.00 0.00 C ATOM 159 O SER A 14 -7.923 -1.491 -9.147 1.00 0.00 O ATOM 160 CB SER A 14 -6.971 1.040 -9.436 1.00 0.00 C ATOM 161 OG SER A 14 -6.646 2.416 -9.338 1.00 0.00 O ATOM 0 H SER A 14 -4.694 0.337 -8.511 1.00 0.00 H new ATOM 0 HA SER A 14 -7.329 0.831 -7.327 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.359 0.573 -10.207 1.00 0.00 H new ATOM 0 HB3 SER A 14 -8.011 0.930 -9.744 1.00 0.00 H new ATOM 0 HG SER A 14 -6.793 2.849 -10.204 1.00 0.00 H new ATOM 167 N GLU A 15 -6.859 -1.928 -7.213 1.00 0.00 N ATOM 168 CA GLU A 15 -7.252 -3.332 -7.188 1.00 0.00 C ATOM 169 C GLU A 15 -7.818 -3.715 -5.823 1.00 0.00 C ATOM 170 O GLU A 15 -8.821 -4.423 -5.731 1.00 0.00 O ATOM 171 CB GLU A 15 -6.056 -4.225 -7.525 1.00 0.00 C ATOM 172 CG GLU A 15 -5.907 -4.509 -9.010 1.00 0.00 C ATOM 173 CD GLU A 15 -7.180 -5.049 -9.631 1.00 0.00 C ATOM 174 OE1 GLU A 15 -8.006 -5.620 -8.888 1.00 0.00 O ATOM 175 OE2 GLU A 15 -7.351 -4.902 -10.859 1.00 0.00 O ATOM 0 H GLU A 15 -6.286 -1.636 -6.421 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.029 -3.479 -7.938 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.145 -3.750 -7.161 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.157 -5.170 -6.991 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.617 -3.593 -9.524 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.101 -5.227 -9.160 1.00 0.00 H new ATOM 182 N CYS A 16 -7.167 -3.242 -4.766 1.00 0.00 N ATOM 183 CA CYS A 16 -7.603 -3.535 -3.406 1.00 0.00 C ATOM 184 C CYS A 16 -7.776 -2.249 -2.602 1.00 0.00 C ATOM 185 O CYS A 16 -8.779 -2.065 -1.913 1.00 0.00 O ATOM 186 CB CYS A 16 -6.595 -4.452 -2.711 1.00 0.00 C ATOM 187 SG CYS A 16 -4.989 -3.665 -2.363 1.00 0.00 S ATOM 0 H CYS A 16 -6.336 -2.654 -4.825 1.00 0.00 H new ATOM 0 HA CYS A 16 -8.567 -4.041 -3.461 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.026 -4.803 -1.773 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -6.429 -5.331 -3.335 1.00 0.00 H new ATOM 192 N GLY A 17 -6.790 -1.362 -2.695 1.00 0.00 N ATOM 193 CA GLY A 17 -6.851 -0.105 -1.972 1.00 0.00 C ATOM 194 C GLY A 17 -5.593 0.165 -1.170 1.00 0.00 C ATOM 195 O GLY A 17 -5.617 0.149 0.060 1.00 0.00 O ATOM 0 H GLY A 17 -5.950 -1.492 -3.258 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.009 0.710 -2.679 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.710 -0.117 -1.301 1.00 0.00 H new ATOM 199 N LYS A 18 -4.490 0.412 -1.869 1.00 0.00 N ATOM 200 CA LYS A 18 -3.216 0.686 -1.216 1.00 0.00 C ATOM 201 C LYS A 18 -2.626 2.005 -1.705 1.00 0.00 C ATOM 202 O LYS A 18 -3.212 2.682 -2.550 1.00 0.00 O ATOM 203 CB LYS A 18 -2.230 -0.454 -1.477 1.00 0.00 C ATOM 204 CG LYS A 18 -2.422 -1.648 -0.558 1.00 0.00 C ATOM 205 CD LYS A 18 -1.113 -2.377 -0.308 1.00 0.00 C ATOM 206 CE LYS A 18 -0.387 -1.819 0.906 1.00 0.00 C ATOM 207 NZ LYS A 18 0.444 -0.632 0.559 1.00 0.00 N ATOM 0 H LYS A 18 -4.453 0.428 -2.888 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.396 0.764 -0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.333 -0.782 -2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.214 -0.077 -1.362 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.840 -1.314 0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.144 -2.335 -1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.309 -3.439 -0.159 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.474 -2.291 -1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.115 -1.542 1.669 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.248 -2.593 1.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.187 -0.507 1.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.882 -0.776 -0.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.157 0.216 0.532 1.00 0.00 H new ATOM 221 N ALA A 19 -1.464 2.363 -1.171 1.00 0.00 N ATOM 222 CA ALA A 19 -0.794 3.599 -1.556 1.00 0.00 C ATOM 223 C ALA A 19 0.711 3.390 -1.686 1.00 0.00 C ATOM 224 O ALA A 19 1.286 2.519 -1.032 1.00 0.00 O ATOM 225 CB ALA A 19 -1.091 4.698 -0.547 1.00 0.00 C ATOM 0 H ALA A 19 -0.966 1.814 -0.470 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.178 3.903 -2.530 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.584 5.615 -0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.166 4.874 -0.507 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.736 4.393 0.438 1.00 0.00 H new ATOM 231 N PHE A 20 1.345 4.193 -2.534 1.00 0.00 N ATOM 232 CA PHE A 20 2.783 4.095 -2.751 1.00 0.00 C ATOM 233 C PHE A 20 3.357 5.432 -3.209 1.00 0.00 C ATOM 234 O PHE A 20 2.772 6.115 -4.050 1.00 0.00 O ATOM 235 CB PHE A 20 3.092 3.013 -3.788 1.00 0.00 C ATOM 236 CG PHE A 20 2.368 1.720 -3.538 1.00 0.00 C ATOM 237 CD1 PHE A 20 2.841 0.815 -2.602 1.00 0.00 C ATOM 238 CD2 PHE A 20 1.214 1.411 -4.240 1.00 0.00 C ATOM 239 CE1 PHE A 20 2.177 -0.375 -2.372 1.00 0.00 C ATOM 240 CE2 PHE A 20 0.546 0.222 -4.014 1.00 0.00 C ATOM 241 CZ PHE A 20 1.028 -0.671 -3.077 1.00 0.00 C ATOM 0 H PHE A 20 0.885 4.919 -3.082 1.00 0.00 H new ATOM 0 HA PHE A 20 3.250 3.825 -1.804 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.827 3.383 -4.778 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.165 2.824 -3.795 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.739 1.042 -2.046 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.832 2.107 -4.972 1.00 0.00 H new ATOM 0 HE1 PHE A 20 2.557 -1.073 -1.641 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.351 -0.008 -4.569 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.507 -1.599 -2.896 1.00 0.00 H new ATOM 251 N ARG A 21 4.505 5.800 -2.650 1.00 0.00 N ATOM 252 CA ARG A 21 5.158 7.056 -2.999 1.00 0.00 C ATOM 253 C ARG A 21 6.283 6.823 -4.003 1.00 0.00 C ATOM 254 O ARG A 21 7.178 7.655 -4.151 1.00 0.00 O ATOM 255 CB ARG A 21 5.711 7.734 -1.744 1.00 0.00 C ATOM 256 CG ARG A 21 6.326 6.764 -0.749 1.00 0.00 C ATOM 257 CD ARG A 21 5.294 6.262 0.250 1.00 0.00 C ATOM 258 NE ARG A 21 5.038 7.235 1.308 1.00 0.00 N ATOM 259 CZ ARG A 21 3.960 7.210 2.084 1.00 0.00 C ATOM 260 NH1 ARG A 21 3.044 6.266 1.921 1.00 0.00 N ATOM 261 NH2 ARG A 21 3.797 8.131 3.025 1.00 0.00 N ATOM 0 H ARG A 21 5.002 5.246 -1.953 1.00 0.00 H new ATOM 0 HA ARG A 21 4.415 7.708 -3.458 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.464 8.465 -2.038 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.907 8.283 -1.254 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.758 5.918 -1.283 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.141 7.255 -0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.363 6.040 -0.271 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.642 5.329 0.692 1.00 0.00 H new ATOM 0 HE ARG A 21 5.724 7.974 1.460 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.166 5.556 1.198 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.217 6.249 2.518 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.500 8.859 3.153 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.969 8.111 3.620 1.00 0.00 H new ATOM 275 N SER A 22 6.232 5.686 -4.689 1.00 0.00 N ATOM 276 CA SER A 22 7.249 5.341 -5.675 1.00 0.00 C ATOM 277 C SER A 22 6.801 4.157 -6.527 1.00 0.00 C ATOM 278 O SER A 22 6.132 3.245 -6.040 1.00 0.00 O ATOM 279 CB SER A 22 8.572 5.013 -4.981 1.00 0.00 C ATOM 280 OG SER A 22 9.366 6.176 -4.821 1.00 0.00 O ATOM 0 H SER A 22 5.497 4.988 -4.580 1.00 0.00 H new ATOM 0 HA SER A 22 7.393 6.202 -6.328 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.374 4.567 -4.006 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.119 4.273 -5.565 1.00 0.00 H new ATOM 0 HG SER A 22 8.797 6.925 -4.545 1.00 0.00 H new ATOM 286 N LYS A 23 7.175 4.178 -7.802 1.00 0.00 N ATOM 287 CA LYS A 23 6.814 3.107 -8.723 1.00 0.00 C ATOM 288 C LYS A 23 7.245 1.751 -8.176 1.00 0.00 C ATOM 289 O LYS A 23 6.492 0.778 -8.237 1.00 0.00 O ATOM 290 CB LYS A 23 7.458 3.345 -10.091 1.00 0.00 C ATOM 291 CG LYS A 23 6.934 2.424 -11.178 1.00 0.00 C ATOM 292 CD LYS A 23 7.128 3.025 -12.560 1.00 0.00 C ATOM 293 CE LYS A 23 8.485 2.658 -13.142 1.00 0.00 C ATOM 294 NZ LYS A 23 8.449 2.583 -14.629 1.00 0.00 N ATOM 0 H LYS A 23 7.728 4.926 -8.221 1.00 0.00 H new ATOM 0 HA LYS A 23 5.730 3.106 -8.833 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.286 4.379 -10.389 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.536 3.213 -10.003 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.448 1.465 -11.122 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.875 2.228 -11.011 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.339 2.674 -13.225 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.037 4.110 -12.502 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.224 3.397 -12.833 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.806 1.698 -12.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.392 2.331 -14.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.762 1.860 -14.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.167 3.506 -15.016 1.00 0.00 H new ATOM 308 N SER A 24 8.460 1.692 -7.640 1.00 0.00 N ATOM 309 CA SER A 24 8.992 0.454 -7.084 1.00 0.00 C ATOM 310 C SER A 24 8.054 -0.111 -6.022 1.00 0.00 C ATOM 311 O SER A 24 7.501 -1.200 -6.181 1.00 0.00 O ATOM 312 CB SER A 24 10.378 0.694 -6.482 1.00 0.00 C ATOM 313 OG SER A 24 11.300 1.108 -7.474 1.00 0.00 O ATOM 0 H SER A 24 9.095 2.488 -7.579 1.00 0.00 H new ATOM 0 HA SER A 24 9.077 -0.272 -7.893 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.313 1.453 -5.702 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.735 -0.220 -6.008 1.00 0.00 H new ATOM 0 HG SER A 24 12.177 1.256 -7.064 1.00 0.00 H new ATOM 319 N TYR A 25 7.881 0.636 -4.937 1.00 0.00 N ATOM 320 CA TYR A 25 7.012 0.209 -3.846 1.00 0.00 C ATOM 321 C TYR A 25 5.728 -0.416 -4.384 1.00 0.00 C ATOM 322 O TYR A 25 5.258 -1.434 -3.875 1.00 0.00 O ATOM 323 CB TYR A 25 6.674 1.396 -2.942 1.00 0.00 C ATOM 324 CG TYR A 25 7.663 1.599 -1.816 1.00 0.00 C ATOM 325 CD1 TYR A 25 8.110 0.525 -1.055 1.00 0.00 C ATOM 326 CD2 TYR A 25 8.149 2.864 -1.511 1.00 0.00 C ATOM 327 CE1 TYR A 25 9.012 0.706 -0.025 1.00 0.00 C ATOM 328 CE2 TYR A 25 9.052 3.054 -0.483 1.00 0.00 C ATOM 329 CZ TYR A 25 9.481 1.972 0.257 1.00 0.00 C ATOM 330 OH TYR A 25 10.380 2.157 1.282 1.00 0.00 O ATOM 0 H TYR A 25 8.331 1.540 -4.789 1.00 0.00 H new ATOM 0 HA TYR A 25 7.545 -0.543 -3.264 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.633 2.302 -3.546 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.680 1.249 -2.520 1.00 0.00 H new ATOM 0 HD1 TYR A 25 7.746 -0.468 -1.273 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.815 3.714 -2.088 1.00 0.00 H new ATOM 0 HE1 TYR A 25 9.348 -0.139 0.557 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.420 4.045 -0.260 1.00 0.00 H new ATOM 0 HH TYR A 25 10.610 3.107 1.348 1.00 0.00 H new ATOM 340 N LEU A 26 5.166 0.201 -5.418 1.00 0.00 N ATOM 341 CA LEU A 26 3.937 -0.294 -6.028 1.00 0.00 C ATOM 342 C LEU A 26 4.130 -1.704 -6.576 1.00 0.00 C ATOM 343 O LEU A 26 3.395 -2.625 -6.219 1.00 0.00 O ATOM 344 CB LEU A 26 3.487 0.645 -7.149 1.00 0.00 C ATOM 345 CG LEU A 26 2.316 0.157 -8.003 1.00 0.00 C ATOM 346 CD1 LEU A 26 1.061 0.012 -7.157 1.00 0.00 C ATOM 347 CD2 LEU A 26 2.071 1.108 -9.165 1.00 0.00 C ATOM 0 H LEU A 26 5.542 1.045 -5.851 1.00 0.00 H new ATOM 0 HA LEU A 26 3.166 -0.327 -5.258 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.213 1.603 -6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.338 0.829 -7.805 1.00 0.00 H new ATOM 0 HG LEU A 26 2.571 -0.822 -8.408 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.239 -0.336 -7.782 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.241 -0.709 -6.360 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.802 0.977 -6.722 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.234 0.745 -9.762 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.838 2.101 -8.780 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.965 1.160 -9.787 1.00 0.00 H new ATOM 359 N ILE A 27 5.124 -1.865 -7.443 1.00 0.00 N ATOM 360 CA ILE A 27 5.416 -3.163 -8.038 1.00 0.00 C ATOM 361 C ILE A 27 5.567 -4.237 -6.966 1.00 0.00 C ATOM 362 O ILE A 27 5.146 -5.379 -7.154 1.00 0.00 O ATOM 363 CB ILE A 27 6.699 -3.117 -8.888 1.00 0.00 C ATOM 364 CG1 ILE A 27 6.587 -2.035 -9.964 1.00 0.00 C ATOM 365 CG2 ILE A 27 6.964 -4.475 -9.521 1.00 0.00 C ATOM 366 CD1 ILE A 27 7.924 -1.577 -10.503 1.00 0.00 C ATOM 0 H ILE A 27 5.741 -1.112 -7.749 1.00 0.00 H new ATOM 0 HA ILE A 27 4.573 -3.412 -8.682 1.00 0.00 H new ATOM 0 HB ILE A 27 7.538 -2.870 -8.238 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.983 -2.415 -10.788 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.058 -1.176 -9.551 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.874 -4.426 -10.119 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.083 -5.224 -8.738 1.00 0.00 H new ATOM 0 HG23 ILE A 27 6.124 -4.749 -10.160 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.767 -0.810 -11.261 1.00 0.00 H new ATOM 0 HD12 ILE A 27 8.523 -1.167 -9.690 1.00 0.00 H new ATOM 0 HD13 ILE A 27 8.447 -2.424 -10.947 1.00 0.00 H new ATOM 378 N ILE A 28 6.170 -3.863 -5.843 1.00 0.00 N ATOM 379 CA ILE A 28 6.374 -4.793 -4.739 1.00 0.00 C ATOM 380 C ILE A 28 5.044 -5.332 -4.221 1.00 0.00 C ATOM 381 O ILE A 28 4.992 -6.395 -3.602 1.00 0.00 O ATOM 382 CB ILE A 28 7.134 -4.129 -3.576 1.00 0.00 C ATOM 383 CG1 ILE A 28 8.473 -3.573 -4.065 1.00 0.00 C ATOM 384 CG2 ILE A 28 7.349 -5.126 -2.447 1.00 0.00 C ATOM 385 CD1 ILE A 28 9.122 -2.616 -3.089 1.00 0.00 C ATOM 0 H ILE A 28 6.526 -2.922 -5.673 1.00 0.00 H new ATOM 0 HA ILE A 28 6.971 -5.618 -5.128 1.00 0.00 H new ATOM 0 HB ILE A 28 6.536 -3.301 -3.195 1.00 0.00 H new ATOM 0 HG12 ILE A 28 9.154 -4.403 -4.255 1.00 0.00 H new ATOM 0 HG13 ILE A 28 8.320 -3.062 -5.015 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.887 -4.642 -1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.384 -5.479 -2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.930 -5.972 -2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.067 -2.262 -3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.460 -1.767 -2.917 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.307 -3.129 -2.145 1.00 0.00 H new ATOM 397 N HIS A 29 3.971 -4.592 -4.480 1.00 0.00 N ATOM 398 CA HIS A 29 2.640 -4.996 -4.042 1.00 0.00 C ATOM 399 C HIS A 29 1.847 -5.598 -5.199 1.00 0.00 C ATOM 400 O HIS A 29 1.140 -6.591 -5.029 1.00 0.00 O ATOM 401 CB HIS A 29 1.886 -3.800 -3.460 1.00 0.00 C ATOM 402 CG HIS A 29 0.428 -4.061 -3.238 1.00 0.00 C ATOM 403 ND1 HIS A 29 -0.045 -4.900 -2.251 1.00 0.00 N ATOM 404 CD2 HIS A 29 -0.664 -3.587 -3.882 1.00 0.00 C ATOM 405 CE1 HIS A 29 -1.365 -4.931 -2.298 1.00 0.00 C ATOM 406 NE2 HIS A 29 -1.765 -4.143 -3.279 1.00 0.00 N ATOM 0 H HIS A 29 3.997 -3.710 -4.991 1.00 0.00 H new ATOM 0 HA HIS A 29 2.754 -5.755 -3.268 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.345 -3.518 -2.512 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.996 -2.949 -4.133 1.00 0.00 H new ATOM 0 HD1 HIS A 29 0.534 -5.416 -1.588 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.668 -2.900 -4.715 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -2.007 -5.503 -1.645 1.00 0.00 H new ATOM 414 N MET A 30 1.969 -4.989 -6.374 1.00 0.00 N ATOM 415 CA MET A 30 1.264 -5.466 -7.558 1.00 0.00 C ATOM 416 C MET A 30 1.816 -6.813 -8.014 1.00 0.00 C ATOM 417 O MET A 30 1.128 -7.580 -8.688 1.00 0.00 O ATOM 418 CB MET A 30 1.379 -4.445 -8.692 1.00 0.00 C ATOM 419 CG MET A 30 0.754 -3.099 -8.363 1.00 0.00 C ATOM 420 SD MET A 30 0.243 -2.192 -9.835 1.00 0.00 S ATOM 421 CE MET A 30 -1.506 -2.573 -9.879 1.00 0.00 C ATOM 0 H MET A 30 2.549 -4.165 -6.532 1.00 0.00 H new ATOM 0 HA MET A 30 0.213 -5.593 -7.298 1.00 0.00 H new ATOM 0 HB2 MET A 30 2.432 -4.298 -8.933 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.901 -4.850 -9.584 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.111 -3.252 -7.717 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.469 -2.498 -7.801 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.964 -2.082 -10.737 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.641 -3.651 -9.963 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.979 -2.218 -8.963 1.00 0.00 H new ATOM 431 N ARG A 31 3.060 -7.095 -7.641 1.00 0.00 N ATOM 432 CA ARG A 31 3.703 -8.349 -8.013 1.00 0.00 C ATOM 433 C ARG A 31 2.799 -9.538 -7.701 1.00 0.00 C ATOM 434 O ARG A 31 2.821 -10.550 -8.402 1.00 0.00 O ATOM 435 CB ARG A 31 5.036 -8.501 -7.277 1.00 0.00 C ATOM 436 CG ARG A 31 4.885 -8.934 -5.828 1.00 0.00 C ATOM 437 CD ARG A 31 6.224 -9.324 -5.222 1.00 0.00 C ATOM 438 NE ARG A 31 6.645 -10.660 -5.637 1.00 0.00 N ATOM 439 CZ ARG A 31 7.907 -11.072 -5.617 1.00 0.00 C ATOM 440 NH1 ARG A 31 8.868 -10.256 -5.205 1.00 0.00 N ATOM 441 NH2 ARG A 31 8.211 -12.302 -6.011 1.00 0.00 N ATOM 0 H ARG A 31 3.642 -6.472 -7.082 1.00 0.00 H new ATOM 0 HA ARG A 31 3.889 -8.328 -9.087 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.651 -9.231 -7.803 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.570 -7.551 -7.310 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.444 -8.123 -5.249 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.198 -9.778 -5.769 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.981 -8.597 -5.517 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.154 -9.287 -4.135 1.00 0.00 H new ATOM 0 HE ARG A 31 5.930 -11.312 -5.960 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.638 -9.309 -4.902 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.837 -10.575 -5.191 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.475 -12.932 -6.330 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.181 -12.617 -5.995 1.00 0.00 H new ATOM 455 N THR A 32 2.003 -9.408 -6.644 1.00 0.00 N ATOM 456 CA THR A 32 1.093 -10.471 -6.237 1.00 0.00 C ATOM 457 C THR A 32 -0.269 -10.313 -6.903 1.00 0.00 C ATOM 458 O THR A 32 -1.048 -11.264 -6.981 1.00 0.00 O ATOM 459 CB THR A 32 0.905 -10.496 -4.708 1.00 0.00 C ATOM 460 OG1 THR A 32 0.198 -11.679 -4.321 1.00 0.00 O ATOM 461 CG2 THR A 32 0.144 -9.266 -4.237 1.00 0.00 C ATOM 0 H THR A 32 1.970 -8.576 -6.054 1.00 0.00 H new ATOM 0 HA THR A 32 1.543 -11.411 -6.555 1.00 0.00 H new ATOM 0 HB THR A 32 1.890 -10.494 -4.242 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.084 -11.688 -3.348 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.023 -9.305 -3.154 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.700 -8.368 -4.508 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.837 -9.242 -4.711 1.00 0.00 H new ATOM 469 N HIS A 33 -0.552 -9.105 -7.382 1.00 0.00 N ATOM 470 CA HIS A 33 -1.821 -8.823 -8.043 1.00 0.00 C ATOM 471 C HIS A 33 -1.819 -9.355 -9.473 1.00 0.00 C ATOM 472 O HIS A 33 -2.819 -9.895 -9.948 1.00 0.00 O ATOM 473 CB HIS A 33 -2.095 -7.319 -8.047 1.00 0.00 C ATOM 474 CG HIS A 33 -2.818 -6.839 -6.826 1.00 0.00 C ATOM 475 ND1 HIS A 33 -3.896 -7.504 -6.280 1.00 0.00 N ATOM 476 CD2 HIS A 33 -2.612 -5.753 -6.044 1.00 0.00 C ATOM 477 CE1 HIS A 33 -4.322 -6.847 -5.216 1.00 0.00 C ATOM 478 NE2 HIS A 33 -3.559 -5.781 -5.051 1.00 0.00 N ATOM 0 H HIS A 33 0.080 -8.307 -7.325 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.611 -9.327 -7.487 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.148 -6.786 -8.132 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.683 -7.067 -8.930 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -4.301 -8.368 -6.641 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.845 -5.004 -6.177 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.153 -7.133 -4.588 1.00 0.00 H new ATOM 486 N THR A 34 -0.689 -9.199 -10.156 1.00 0.00 N ATOM 487 CA THR A 34 -0.558 -9.661 -11.532 1.00 0.00 C ATOM 488 C THR A 34 0.752 -10.414 -11.736 1.00 0.00 C ATOM 489 O THR A 34 1.822 -9.810 -11.803 1.00 0.00 O ATOM 490 CB THR A 34 -0.623 -8.488 -12.528 1.00 0.00 C ATOM 491 OG1 THR A 34 -0.493 -8.975 -13.868 1.00 0.00 O ATOM 492 CG2 THR A 34 0.475 -7.474 -12.243 1.00 0.00 C ATOM 0 H THR A 34 0.149 -8.756 -9.778 1.00 0.00 H new ATOM 0 HA THR A 34 -1.395 -10.334 -11.720 1.00 0.00 H new ATOM 0 HB THR A 34 -1.589 -7.996 -12.413 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.537 -8.223 -14.495 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.409 -6.655 -12.959 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.356 -7.083 -11.233 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.448 -7.957 -12.333 1.00 0.00 H new ATOM 500 N GLY A 35 0.660 -11.737 -11.836 1.00 0.00 N ATOM 501 CA GLY A 35 1.846 -12.550 -12.032 1.00 0.00 C ATOM 502 C GLY A 35 1.513 -13.970 -12.444 1.00 0.00 C ATOM 503 O GLY A 35 1.014 -14.203 -13.544 1.00 0.00 O ATOM 0 H GLY A 35 -0.214 -12.260 -11.785 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.475 -12.092 -12.795 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.426 -12.569 -11.110 1.00 0.00 H new ATOM 507 N GLU A 36 1.792 -14.922 -11.558 1.00 0.00 N ATOM 508 CA GLU A 36 1.521 -16.327 -11.837 1.00 0.00 C ATOM 509 C GLU A 36 0.707 -16.959 -10.711 1.00 0.00 C ATOM 510 O GLU A 36 0.962 -18.093 -10.306 1.00 0.00 O ATOM 511 CB GLU A 36 2.831 -17.095 -12.027 1.00 0.00 C ATOM 512 CG GLU A 36 3.428 -16.947 -13.417 1.00 0.00 C ATOM 513 CD GLU A 36 3.745 -15.506 -13.766 1.00 0.00 C ATOM 514 OE1 GLU A 36 4.349 -14.811 -12.923 1.00 0.00 O ATOM 515 OE2 GLU A 36 3.389 -15.075 -14.882 1.00 0.00 O ATOM 0 H GLU A 36 2.205 -14.745 -10.642 1.00 0.00 H new ATOM 0 HA GLU A 36 0.939 -16.382 -12.757 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.556 -16.748 -11.291 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.655 -18.152 -11.827 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.339 -17.541 -13.482 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.731 -17.350 -14.152 1.00 0.00 H new ATOM 522 N LYS A 37 -0.273 -16.215 -10.209 1.00 0.00 N ATOM 523 CA LYS A 37 -1.126 -16.700 -9.131 1.00 0.00 C ATOM 524 C LYS A 37 -2.551 -16.928 -9.624 1.00 0.00 C ATOM 525 O LYS A 37 -3.074 -16.181 -10.452 1.00 0.00 O ATOM 526 CB LYS A 37 -1.130 -15.703 -7.969 1.00 0.00 C ATOM 527 CG LYS A 37 -2.174 -16.010 -6.909 1.00 0.00 C ATOM 528 CD LYS A 37 -2.563 -14.763 -6.133 1.00 0.00 C ATOM 529 CE LYS A 37 -1.597 -14.495 -4.989 1.00 0.00 C ATOM 530 NZ LYS A 37 -2.247 -13.744 -3.879 1.00 0.00 N ATOM 0 H LYS A 37 -0.496 -15.273 -10.532 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.724 -17.652 -8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.144 -15.695 -7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.306 -14.701 -8.361 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.059 -16.437 -7.381 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.786 -16.761 -6.221 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.580 -13.905 -6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.573 -14.879 -5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.211 -15.441 -4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.743 -13.928 -5.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.683 -12.900 -3.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.203 -13.454 -4.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.310 -14.353 -3.038 1.00 0.00 H new ATOM 544 N PRO A 38 -3.196 -17.983 -9.105 1.00 0.00 N ATOM 545 CA PRO A 38 -4.570 -18.332 -9.477 1.00 0.00 C ATOM 546 C PRO A 38 -5.587 -17.326 -8.950 1.00 0.00 C ATOM 547 O PRO A 38 -6.156 -17.509 -7.873 1.00 0.00 O ATOM 548 CB PRO A 38 -4.780 -19.699 -8.820 1.00 0.00 C ATOM 549 CG PRO A 38 -3.828 -19.718 -7.674 1.00 0.00 C ATOM 550 CD PRO A 38 -2.634 -18.916 -8.114 1.00 0.00 C ATOM 0 HA PRO A 38 -4.710 -18.337 -10.558 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.809 -19.822 -8.482 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.575 -20.510 -9.519 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.282 -19.285 -6.782 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.541 -20.739 -7.422 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.175 -18.387 -7.279 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.863 -19.550 -8.551 1.00 0.00 H new ATOM 558 N SER A 39 -5.813 -16.262 -9.715 1.00 0.00 N ATOM 559 CA SER A 39 -6.759 -15.225 -9.322 1.00 0.00 C ATOM 560 C SER A 39 -8.176 -15.590 -9.755 1.00 0.00 C ATOM 561 O SER A 39 -9.124 -15.472 -8.979 1.00 0.00 O ATOM 562 CB SER A 39 -6.358 -13.881 -9.933 1.00 0.00 C ATOM 563 OG SER A 39 -5.365 -13.241 -9.151 1.00 0.00 O ATOM 0 H SER A 39 -5.354 -16.096 -10.610 1.00 0.00 H new ATOM 0 HA SER A 39 -6.739 -15.143 -8.235 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.985 -14.035 -10.945 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.234 -13.238 -10.011 1.00 0.00 H new ATOM 0 HG SER A 39 -5.125 -12.385 -9.564 1.00 0.00 H new ATOM 569 N GLY A 40 -8.312 -16.035 -11.001 1.00 0.00 N ATOM 570 CA GLY A 40 -9.615 -16.411 -11.516 1.00 0.00 C ATOM 571 C GLY A 40 -10.007 -15.608 -12.741 1.00 0.00 C ATOM 572 O GLY A 40 -9.317 -14.672 -13.143 1.00 0.00 O ATOM 0 H GLY A 40 -7.543 -16.142 -11.662 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.611 -17.472 -11.766 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.365 -16.270 -10.737 1.00 0.00 H new ATOM 576 N PRO A 41 -11.141 -15.977 -13.356 1.00 0.00 N ATOM 577 CA PRO A 41 -11.649 -15.298 -14.552 1.00 0.00 C ATOM 578 C PRO A 41 -12.155 -13.891 -14.249 1.00 0.00 C ATOM 579 O PRO A 41 -12.597 -13.174 -15.146 1.00 0.00 O ATOM 580 CB PRO A 41 -12.804 -16.195 -15.005 1.00 0.00 C ATOM 581 CG PRO A 41 -13.250 -16.893 -13.767 1.00 0.00 C ATOM 582 CD PRO A 41 -12.014 -17.084 -12.932 1.00 0.00 C ATOM 0 HA PRO A 41 -10.873 -15.165 -15.306 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.612 -15.609 -15.442 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -12.479 -16.906 -15.765 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.995 -16.303 -13.233 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -13.713 -17.851 -14.004 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.237 -17.034 -11.866 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.551 -18.054 -13.115 1.00 0.00 H new ATOM 590 N SER A 42 -12.085 -13.503 -12.980 1.00 0.00 N ATOM 591 CA SER A 42 -12.539 -12.183 -12.559 1.00 0.00 C ATOM 592 C SER A 42 -11.634 -11.092 -13.121 1.00 0.00 C ATOM 593 O SER A 42 -10.509 -10.903 -12.659 1.00 0.00 O ATOM 594 CB SER A 42 -12.574 -12.095 -11.032 1.00 0.00 C ATOM 595 OG SER A 42 -13.466 -13.051 -10.486 1.00 0.00 O ATOM 0 H SER A 42 -11.718 -14.084 -12.226 1.00 0.00 H new ATOM 0 HA SER A 42 -13.546 -12.032 -12.948 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.573 -12.257 -10.632 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.880 -11.093 -10.729 1.00 0.00 H new ATOM 0 HG SER A 42 -13.469 -12.975 -9.509 1.00 0.00 H new ATOM 601 N SER A 43 -12.133 -10.375 -14.123 1.00 0.00 N ATOM 602 CA SER A 43 -11.369 -9.305 -14.753 1.00 0.00 C ATOM 603 C SER A 43 -12.294 -8.331 -15.478 1.00 0.00 C ATOM 604 O SER A 43 -13.031 -8.716 -16.385 1.00 0.00 O ATOM 605 CB SER A 43 -10.351 -9.886 -15.736 1.00 0.00 C ATOM 606 OG SER A 43 -10.996 -10.450 -16.865 1.00 0.00 O ATOM 0 H SER A 43 -13.064 -10.516 -14.516 1.00 0.00 H new ATOM 0 HA SER A 43 -10.839 -8.762 -13.971 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.665 -9.103 -16.059 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.753 -10.648 -15.237 1.00 0.00 H new ATOM 0 HG SER A 43 -11.916 -10.116 -16.917 1.00 0.00 H new ATOM 612 N GLY A 44 -12.248 -7.066 -15.071 1.00 0.00 N ATOM 613 CA GLY A 44 -13.085 -6.056 -15.691 1.00 0.00 C ATOM 614 C GLY A 44 -12.309 -4.809 -16.064 1.00 0.00 C ATOM 615 O GLY A 44 -11.498 -4.862 -16.987 1.00 0.00 O ATOM 0 H GLY A 44 -11.646 -6.723 -14.323 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.549 -6.472 -16.585 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.891 -5.788 -15.008 1.00 0.00 H new TER 619 GLY A 44 HETATM 620 ZN ZN A 201 -3.524 -3.881 -4.232 1.00 0.00 ZN