USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 298 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 Set 1.1: A 3 SER OG : rot -55:sc= 0.644 USER MOD Set 1.2: A 6 SER OG : rot 180:sc= -0.0357 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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -173:sc= -0.0403 (180deg=-0.0891) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.012) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 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 GLN : amide:sc= -0.389 K(o=-0.39,f=-1) USER MOD Single : A 33 HIS : no HE2:sc= -1.24 K(o=-1.2,f=-2.1) USER MOD Single : A 34 THR OG1 : rot -3:sc= -0.0705 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -55:sc= 0.316 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.630 1.109 3.858 1.00 0.00 N ATOM 2 CA GLY A 1 29.558 0.158 3.273 1.00 0.00 C ATOM 3 C GLY A 1 29.073 -1.274 3.395 1.00 0.00 C ATOM 4 O GLY A 1 29.826 -2.158 3.803 1.00 0.00 O ATOM 0 H1 GLY A 1 29.006 2.073 3.749 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.711 1.039 3.375 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.507 0.897 4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.706 0.400 2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.528 0.253 3.762 1.00 0.00 H new ATOM 8 N SER A 2 27.813 -1.502 3.042 1.00 0.00 N ATOM 9 CA SER A 2 27.227 -2.836 3.119 1.00 0.00 C ATOM 10 C SER A 2 26.173 -3.030 2.033 1.00 0.00 C ATOM 11 O SER A 2 25.122 -2.390 2.052 1.00 0.00 O ATOM 12 CB SER A 2 26.603 -3.063 4.498 1.00 0.00 C ATOM 13 OG SER A 2 25.821 -4.244 4.515 1.00 0.00 O ATOM 0 H SER A 2 27.178 -0.781 2.700 1.00 0.00 H new ATOM 0 HA SER A 2 28.022 -3.565 2.963 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.389 -3.133 5.250 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.982 -2.208 4.765 1.00 0.00 H new ATOM 0 HG SER A 2 25.435 -4.368 5.407 1.00 0.00 H new ATOM 19 N SER A 3 26.464 -3.918 1.088 1.00 0.00 N ATOM 20 CA SER A 3 25.544 -4.195 -0.009 1.00 0.00 C ATOM 21 C SER A 3 25.192 -5.678 -0.062 1.00 0.00 C ATOM 22 O SER A 3 25.103 -6.269 -1.137 1.00 0.00 O ATOM 23 CB SER A 3 26.158 -3.757 -1.340 1.00 0.00 C ATOM 24 OG SER A 3 25.230 -3.901 -2.402 1.00 0.00 O ATOM 0 H SER A 3 27.329 -4.458 1.060 1.00 0.00 H new ATOM 0 HA SER A 3 24.629 -3.629 0.165 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.479 -2.717 -1.272 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.048 -4.352 -1.547 1.00 0.00 H new ATOM 0 HG SER A 3 24.899 -4.823 -2.424 1.00 0.00 H new ATOM 30 N GLY A 4 24.992 -6.274 1.110 1.00 0.00 N ATOM 31 CA GLY A 4 24.652 -7.684 1.177 1.00 0.00 C ATOM 32 C GLY A 4 23.200 -7.947 0.828 1.00 0.00 C ATOM 33 O GLY A 4 22.356 -8.080 1.715 1.00 0.00 O ATOM 0 H GLY A 4 25.059 -5.806 2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.293 -8.242 0.495 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.854 -8.056 2.181 1.00 0.00 H new ATOM 37 N SER A 5 22.908 -8.020 -0.466 1.00 0.00 N ATOM 38 CA SER A 5 21.547 -8.264 -0.930 1.00 0.00 C ATOM 39 C SER A 5 20.618 -7.129 -0.508 1.00 0.00 C ATOM 40 O SER A 5 19.475 -7.362 -0.115 1.00 0.00 O ATOM 41 CB SER A 5 21.028 -9.594 -0.380 1.00 0.00 C ATOM 42 OG SER A 5 21.791 -10.682 -0.874 1.00 0.00 O ATOM 0 H SER A 5 23.595 -7.914 -1.212 1.00 0.00 H new ATOM 0 HA SER A 5 21.564 -8.312 -2.019 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.069 -9.582 0.709 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.982 -9.723 -0.658 1.00 0.00 H new ATOM 0 HG SER A 5 21.441 -11.520 -0.507 1.00 0.00 H new ATOM 48 N SER A 6 21.118 -5.901 -0.592 1.00 0.00 N ATOM 49 CA SER A 6 20.336 -4.729 -0.215 1.00 0.00 C ATOM 50 C SER A 6 18.866 -4.918 -0.579 1.00 0.00 C ATOM 51 O SER A 6 18.535 -5.642 -1.516 1.00 0.00 O ATOM 52 CB SER A 6 20.887 -3.479 -0.903 1.00 0.00 C ATOM 53 OG SER A 6 22.267 -3.311 -0.626 1.00 0.00 O ATOM 0 H SER A 6 22.061 -5.691 -0.918 1.00 0.00 H new ATOM 0 HA SER A 6 20.412 -4.603 0.865 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.736 -3.556 -1.980 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.336 -2.601 -0.566 1.00 0.00 H new ATOM 0 HG SER A 6 22.596 -2.506 -1.078 1.00 0.00 H new ATOM 59 N GLY A 7 17.988 -4.259 0.172 1.00 0.00 N ATOM 60 CA GLY A 7 16.564 -4.366 -0.086 1.00 0.00 C ATOM 61 C GLY A 7 15.749 -4.447 1.189 1.00 0.00 C ATOM 62 O GLY A 7 15.140 -5.476 1.479 1.00 0.00 O ATOM 0 H GLY A 7 18.238 -3.653 0.954 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.238 -3.504 -0.668 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.373 -5.251 -0.693 1.00 0.00 H new ATOM 66 N GLU A 8 15.738 -3.359 1.953 1.00 0.00 N ATOM 67 CA GLU A 8 14.993 -3.313 3.205 1.00 0.00 C ATOM 68 C GLU A 8 13.678 -2.559 3.029 1.00 0.00 C ATOM 69 O GLU A 8 13.621 -1.340 3.195 1.00 0.00 O ATOM 70 CB GLU A 8 15.832 -2.649 4.299 1.00 0.00 C ATOM 71 CG GLU A 8 16.792 -3.601 4.992 1.00 0.00 C ATOM 72 CD GLU A 8 16.135 -4.375 6.119 1.00 0.00 C ATOM 73 OE1 GLU A 8 15.222 -5.178 5.833 1.00 0.00 O ATOM 74 OE2 GLU A 8 16.533 -4.179 7.286 1.00 0.00 O ATOM 0 H GLU A 8 16.236 -2.498 1.727 1.00 0.00 H new ATOM 0 HA GLU A 8 14.767 -4.337 3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.400 -1.828 3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.165 -2.214 5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.194 -4.302 4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 8 17.636 -3.036 5.388 1.00 0.00 H new ATOM 81 N LYS A 9 12.623 -3.292 2.691 1.00 0.00 N ATOM 82 CA LYS A 9 11.308 -2.695 2.492 1.00 0.00 C ATOM 83 C LYS A 9 11.384 -1.522 1.520 1.00 0.00 C ATOM 84 O LYS A 9 10.955 -0.407 1.819 1.00 0.00 O ATOM 85 CB LYS A 9 10.730 -2.226 3.829 1.00 0.00 C ATOM 86 CG LYS A 9 10.386 -3.363 4.776 1.00 0.00 C ATOM 87 CD LYS A 9 10.307 -2.885 6.216 1.00 0.00 C ATOM 88 CE LYS A 9 9.607 -3.903 7.103 1.00 0.00 C ATOM 89 NZ LYS A 9 8.135 -3.914 6.881 1.00 0.00 N ATOM 0 H LYS A 9 12.653 -4.302 2.549 1.00 0.00 H new ATOM 0 HA LYS A 9 10.653 -3.455 2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.449 -1.565 4.314 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.832 -1.637 3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.432 -3.804 4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.138 -4.147 4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.312 -2.701 6.595 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.772 -1.936 6.257 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.011 -4.896 6.905 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.815 -3.677 8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.682 -4.532 7.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.762 -2.948 6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.931 -4.269 5.925 1.00 0.00 H new ATOM 103 N PRO A 10 11.942 -1.776 0.327 1.00 0.00 N ATOM 104 CA PRO A 10 12.085 -0.754 -0.714 1.00 0.00 C ATOM 105 C PRO A 10 10.744 -0.349 -1.317 1.00 0.00 C ATOM 106 O PRO A 10 10.620 0.718 -1.919 1.00 0.00 O ATOM 107 CB PRO A 10 12.959 -1.440 -1.767 1.00 0.00 C ATOM 108 CG PRO A 10 12.716 -2.897 -1.571 1.00 0.00 C ATOM 109 CD PRO A 10 12.474 -3.082 -0.098 1.00 0.00 C ATOM 0 HA PRO A 10 12.511 0.170 -0.322 1.00 0.00 H new ATOM 0 HB2 PRO A 10 12.686 -1.125 -2.774 1.00 0.00 H new ATOM 0 HB3 PRO A 10 14.012 -1.192 -1.630 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.857 -3.231 -2.153 1.00 0.00 H new ATOM 0 HG3 PRO A 10 13.573 -3.484 -1.902 1.00 0.00 H new ATOM 0 HD2 PRO A 10 11.765 -3.887 0.095 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.393 -3.333 0.432 1.00 0.00 H new ATOM 117 N TYR A 11 9.743 -1.206 -1.152 1.00 0.00 N ATOM 118 CA TYR A 11 8.412 -0.938 -1.682 1.00 0.00 C ATOM 119 C TYR A 11 7.426 -0.641 -0.556 1.00 0.00 C ATOM 120 O TYR A 11 7.554 -1.165 0.550 1.00 0.00 O ATOM 121 CB TYR A 11 7.918 -2.129 -2.505 1.00 0.00 C ATOM 122 CG TYR A 11 8.933 -2.637 -3.504 1.00 0.00 C ATOM 123 CD1 TYR A 11 9.035 -2.071 -4.769 1.00 0.00 C ATOM 124 CD2 TYR A 11 9.789 -3.683 -3.184 1.00 0.00 C ATOM 125 CE1 TYR A 11 9.960 -2.533 -5.686 1.00 0.00 C ATOM 126 CE2 TYR A 11 10.719 -4.150 -4.093 1.00 0.00 C ATOM 127 CZ TYR A 11 10.800 -3.572 -5.343 1.00 0.00 C ATOM 128 OH TYR A 11 11.723 -4.034 -6.252 1.00 0.00 O ATOM 0 H TYR A 11 9.828 -2.093 -0.655 1.00 0.00 H new ATOM 0 HA TYR A 11 8.476 -0.061 -2.326 1.00 0.00 H new ATOM 0 HB2 TYR A 11 7.649 -2.940 -1.829 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.010 -1.842 -3.036 1.00 0.00 H new ATOM 0 HD1 TYR A 11 8.380 -1.256 -5.040 1.00 0.00 H new ATOM 0 HD2 TYR A 11 9.727 -4.139 -2.207 1.00 0.00 H new ATOM 0 HE1 TYR A 11 10.025 -2.083 -6.666 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.379 -4.963 -3.826 1.00 0.00 H new ATOM 0 HH TYR A 11 12.236 -4.767 -5.853 1.00 0.00 H new ATOM 138 N GLY A 12 6.442 0.205 -0.847 1.00 0.00 N ATOM 139 CA GLY A 12 5.449 0.558 0.150 1.00 0.00 C ATOM 140 C GLY A 12 4.164 1.072 -0.468 1.00 0.00 C ATOM 141 O GLY A 12 4.176 1.638 -1.562 1.00 0.00 O ATOM 0 H GLY A 12 6.315 0.652 -1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.229 -0.315 0.764 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.859 1.319 0.813 1.00 0.00 H new ATOM 145 N CYS A 13 3.052 0.875 0.231 1.00 0.00 N ATOM 146 CA CYS A 13 1.752 1.321 -0.256 1.00 0.00 C ATOM 147 C CYS A 13 1.500 2.778 0.122 1.00 0.00 C ATOM 148 O CYS A 13 1.438 3.122 1.301 1.00 0.00 O ATOM 149 CB CYS A 13 0.640 0.436 0.311 1.00 0.00 C ATOM 150 SG CYS A 13 -0.999 0.740 -0.423 1.00 0.00 S ATOM 0 H CYS A 13 3.025 0.409 1.138 1.00 0.00 H new ATOM 0 HA CYS A 13 1.752 1.241 -1.343 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.908 -0.609 0.156 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.579 0.593 1.388 1.00 0.00 H new ATOM 155 N ASN A 14 1.355 3.629 -0.889 1.00 0.00 N ATOM 156 CA ASN A 14 1.110 5.049 -0.663 1.00 0.00 C ATOM 157 C ASN A 14 -0.386 5.339 -0.596 1.00 0.00 C ATOM 158 O ASN A 14 -0.834 6.424 -0.962 1.00 0.00 O ATOM 159 CB ASN A 14 1.754 5.881 -1.774 1.00 0.00 C ATOM 160 CG ASN A 14 3.257 5.696 -1.839 1.00 0.00 C ATOM 161 OD1 ASN A 14 3.872 5.183 -0.903 1.00 0.00 O ATOM 162 ND2 ASN A 14 3.858 6.114 -2.947 1.00 0.00 N ATOM 0 H ASN A 14 1.403 3.360 -1.872 1.00 0.00 H new ATOM 0 HA ASN A 14 1.557 5.323 0.293 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.315 5.604 -2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.527 6.935 -1.613 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.868 6.016 -3.047 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.309 6.533 -3.698 1.00 0.00 H new ATOM 169 N GLU A 15 -1.152 4.360 -0.126 1.00 0.00 N ATOM 170 CA GLU A 15 -2.598 4.510 -0.011 1.00 0.00 C ATOM 171 C GLU A 15 -3.048 4.361 1.439 1.00 0.00 C ATOM 172 O GLU A 15 -3.802 5.185 1.956 1.00 0.00 O ATOM 173 CB GLU A 15 -3.312 3.478 -0.887 1.00 0.00 C ATOM 174 CG GLU A 15 -3.079 3.677 -2.375 1.00 0.00 C ATOM 175 CD GLU A 15 -3.899 2.728 -3.226 1.00 0.00 C ATOM 176 OE1 GLU A 15 -3.973 1.531 -2.879 1.00 0.00 O ATOM 177 OE2 GLU A 15 -4.469 3.183 -4.240 1.00 0.00 O ATOM 0 H GLU A 15 -0.796 3.455 0.181 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.861 5.511 -0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.976 2.480 -0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.382 3.522 -0.686 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.325 4.704 -2.643 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.021 3.535 -2.595 1.00 0.00 H new ATOM 184 N CYS A 16 -2.580 3.302 2.091 1.00 0.00 N ATOM 185 CA CYS A 16 -2.933 3.041 3.482 1.00 0.00 C ATOM 186 C CYS A 16 -1.762 3.358 4.409 1.00 0.00 C ATOM 187 O CYS A 16 -1.935 3.987 5.451 1.00 0.00 O ATOM 188 CB CYS A 16 -3.356 1.582 3.657 1.00 0.00 C ATOM 189 SG CYS A 16 -2.027 0.378 3.339 1.00 0.00 S ATOM 0 H CYS A 16 -1.955 2.610 1.678 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.769 3.689 3.747 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.723 1.441 4.673 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.189 1.373 2.985 1.00 0.00 H new ATOM 194 N GLY A 17 -0.570 2.916 4.020 1.00 0.00 N ATOM 195 CA GLY A 17 0.611 3.161 4.826 1.00 0.00 C ATOM 196 C GLY A 17 1.277 1.879 5.285 1.00 0.00 C ATOM 197 O GLY A 17 1.666 1.754 6.446 1.00 0.00 O ATOM 0 H GLY A 17 -0.401 2.393 3.161 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.324 3.751 4.250 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.335 3.756 5.697 1.00 0.00 H new ATOM 201 N LYS A 18 1.406 0.922 4.372 1.00 0.00 N ATOM 202 CA LYS A 18 2.029 -0.358 4.688 1.00 0.00 C ATOM 203 C LYS A 18 3.406 -0.467 4.042 1.00 0.00 C ATOM 204 O LYS A 18 3.898 0.488 3.441 1.00 0.00 O ATOM 205 CB LYS A 18 1.140 -1.511 4.216 1.00 0.00 C ATOM 206 CG LYS A 18 0.206 -2.038 5.292 1.00 0.00 C ATOM 207 CD LYS A 18 -0.972 -2.786 4.690 1.00 0.00 C ATOM 208 CE LYS A 18 -1.498 -3.852 5.639 1.00 0.00 C ATOM 209 NZ LYS A 18 -2.958 -4.084 5.458 1.00 0.00 N ATOM 0 H LYS A 18 1.087 1.009 3.407 1.00 0.00 H new ATOM 0 HA LYS A 18 2.149 -0.418 5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.548 -1.177 3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.772 -2.326 3.864 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.756 -2.701 5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.159 -1.208 5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.770 -2.082 4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.669 -3.250 3.752 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.959 -4.785 5.473 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.303 -3.550 6.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.440 -3.995 6.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.342 -3.380 4.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.113 -5.039 5.076 1.00 0.00 H new ATOM 223 N ASP A 19 4.023 -1.637 4.169 1.00 0.00 N ATOM 224 CA ASP A 19 5.343 -1.872 3.596 1.00 0.00 C ATOM 225 C ASP A 19 5.459 -3.297 3.064 1.00 0.00 C ATOM 226 O ASP A 19 4.810 -4.214 3.569 1.00 0.00 O ATOM 227 CB ASP A 19 6.430 -1.614 4.641 1.00 0.00 C ATOM 228 CG ASP A 19 6.110 -0.428 5.529 1.00 0.00 C ATOM 229 OD1 ASP A 19 6.034 0.703 5.004 1.00 0.00 O ATOM 230 OD2 ASP A 19 5.934 -0.631 6.748 1.00 0.00 O ATOM 0 H ASP A 19 3.630 -2.438 4.664 1.00 0.00 H new ATOM 0 HA ASP A 19 5.479 -1.181 2.764 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.554 -2.503 5.259 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.381 -1.441 4.137 1.00 0.00 H new ATOM 235 N PHE A 20 6.288 -3.476 2.041 1.00 0.00 N ATOM 236 CA PHE A 20 6.487 -4.789 1.439 1.00 0.00 C ATOM 237 C PHE A 20 7.888 -4.908 0.845 1.00 0.00 C ATOM 238 O PHE A 20 8.278 -4.119 -0.016 1.00 0.00 O ATOM 239 CB PHE A 20 5.438 -5.040 0.354 1.00 0.00 C ATOM 240 CG PHE A 20 4.059 -4.585 0.737 1.00 0.00 C ATOM 241 CD1 PHE A 20 3.733 -3.238 0.733 1.00 0.00 C ATOM 242 CD2 PHE A 20 3.088 -5.504 1.101 1.00 0.00 C ATOM 243 CE1 PHE A 20 2.465 -2.817 1.085 1.00 0.00 C ATOM 244 CE2 PHE A 20 1.818 -5.089 1.454 1.00 0.00 C ATOM 245 CZ PHE A 20 1.506 -3.743 1.446 1.00 0.00 C ATOM 0 H PHE A 20 6.833 -2.728 1.612 1.00 0.00 H new ATOM 0 HA PHE A 20 6.378 -5.540 2.221 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.741 -4.527 -0.559 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.410 -6.106 0.126 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.479 -2.509 0.452 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.327 -6.557 1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 20 2.224 -1.764 1.078 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.070 -5.816 1.736 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.514 -3.416 1.721 1.00 0.00 H new ATOM 255 N SER A 21 8.639 -5.900 1.312 1.00 0.00 N ATOM 256 CA SER A 21 9.998 -6.120 0.831 1.00 0.00 C ATOM 257 C SER A 21 9.999 -6.467 -0.655 1.00 0.00 C ATOM 258 O SER A 21 10.825 -5.969 -1.420 1.00 0.00 O ATOM 259 CB SER A 21 10.668 -7.241 1.628 1.00 0.00 C ATOM 260 OG SER A 21 11.059 -6.790 2.913 1.00 0.00 O ATOM 0 H SER A 21 8.330 -6.564 2.022 1.00 0.00 H new ATOM 0 HA SER A 21 10.561 -5.197 0.971 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.981 -8.081 1.728 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.541 -7.605 1.086 1.00 0.00 H new ATOM 0 HG SER A 21 11.483 -7.525 3.403 1.00 0.00 H new ATOM 266 N SER A 22 9.067 -7.326 -1.056 1.00 0.00 N ATOM 267 CA SER A 22 8.961 -7.743 -2.450 1.00 0.00 C ATOM 268 C SER A 22 7.931 -6.898 -3.193 1.00 0.00 C ATOM 269 O SER A 22 6.858 -6.602 -2.668 1.00 0.00 O ATOM 270 CB SER A 22 8.581 -9.222 -2.533 1.00 0.00 C ATOM 271 OG SER A 22 9.577 -10.040 -1.943 1.00 0.00 O ATOM 0 H SER A 22 8.375 -7.747 -0.436 1.00 0.00 H new ATOM 0 HA SER A 22 9.932 -7.598 -2.923 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.628 -9.384 -2.030 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.443 -9.507 -3.576 1.00 0.00 H new ATOM 0 HG SER A 22 9.309 -10.980 -2.008 1.00 0.00 H new ATOM 277 N LYS A 23 8.266 -6.513 -4.420 1.00 0.00 N ATOM 278 CA LYS A 23 7.372 -5.703 -5.239 1.00 0.00 C ATOM 279 C LYS A 23 6.041 -6.416 -5.460 1.00 0.00 C ATOM 280 O LYS A 23 4.978 -5.800 -5.399 1.00 0.00 O ATOM 281 CB LYS A 23 8.025 -5.390 -6.587 1.00 0.00 C ATOM 282 CG LYS A 23 7.221 -4.427 -7.443 1.00 0.00 C ATOM 283 CD LYS A 23 8.052 -3.872 -8.588 1.00 0.00 C ATOM 284 CE LYS A 23 7.270 -2.850 -9.399 1.00 0.00 C ATOM 285 NZ LYS A 23 7.426 -1.473 -8.856 1.00 0.00 N ATOM 0 H LYS A 23 9.151 -6.749 -4.869 1.00 0.00 H new ATOM 0 HA LYS A 23 7.181 -4.770 -4.710 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.015 -4.968 -6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.167 -6.320 -7.137 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.345 -4.938 -7.842 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.857 -3.606 -6.825 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.956 -3.409 -8.192 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.370 -4.688 -9.237 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.609 -2.872 -10.435 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.214 -3.121 -9.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.878 -0.807 -9.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.079 -1.445 -7.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.430 -1.204 -8.875 1.00 0.00 H new ATOM 299 N SER A 24 6.109 -7.719 -5.716 1.00 0.00 N ATOM 300 CA SER A 24 4.910 -8.516 -5.948 1.00 0.00 C ATOM 301 C SER A 24 3.888 -8.297 -4.836 1.00 0.00 C ATOM 302 O SER A 24 2.782 -7.816 -5.080 1.00 0.00 O ATOM 303 CB SER A 24 5.268 -10.000 -6.043 1.00 0.00 C ATOM 304 OG SER A 24 6.316 -10.213 -6.973 1.00 0.00 O ATOM 0 H SER A 24 6.982 -8.245 -5.768 1.00 0.00 H new ATOM 0 HA SER A 24 4.468 -8.196 -6.892 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.568 -10.369 -5.062 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.389 -10.571 -6.343 1.00 0.00 H new ATOM 0 HG SER A 24 6.528 -11.169 -7.014 1.00 0.00 H new ATOM 310 N TYR A 25 4.268 -8.654 -3.615 1.00 0.00 N ATOM 311 CA TYR A 25 3.386 -8.500 -2.464 1.00 0.00 C ATOM 312 C TYR A 25 2.593 -7.200 -2.556 1.00 0.00 C ATOM 313 O TYR A 25 1.381 -7.181 -2.333 1.00 0.00 O ATOM 314 CB TYR A 25 4.196 -8.526 -1.167 1.00 0.00 C ATOM 315 CG TYR A 25 4.614 -9.915 -0.741 1.00 0.00 C ATOM 316 CD1 TYR A 25 3.711 -10.971 -0.764 1.00 0.00 C ATOM 317 CD2 TYR A 25 5.911 -10.172 -0.315 1.00 0.00 C ATOM 318 CE1 TYR A 25 4.088 -12.242 -0.375 1.00 0.00 C ATOM 319 CE2 TYR A 25 6.298 -11.440 0.074 1.00 0.00 C ATOM 320 CZ TYR A 25 5.383 -12.471 0.042 1.00 0.00 C ATOM 321 OH TYR A 25 5.763 -13.735 0.430 1.00 0.00 O ATOM 0 H TYR A 25 5.181 -9.052 -3.396 1.00 0.00 H new ATOM 0 HA TYR A 25 2.684 -9.334 -2.462 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.087 -7.910 -1.293 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.605 -8.073 -0.371 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.697 -10.795 -1.092 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.630 -9.366 -0.287 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.373 -13.051 -0.397 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.311 -11.623 0.401 1.00 0.00 H new ATOM 0 HH TYR A 25 6.707 -13.726 0.694 1.00 0.00 H new ATOM 331 N LEU A 26 3.284 -6.115 -2.887 1.00 0.00 N ATOM 332 CA LEU A 26 2.646 -4.809 -3.010 1.00 0.00 C ATOM 333 C LEU A 26 1.630 -4.805 -4.148 1.00 0.00 C ATOM 334 O LEU A 26 0.437 -4.591 -3.927 1.00 0.00 O ATOM 335 CB LEU A 26 3.699 -3.726 -3.247 1.00 0.00 C ATOM 336 CG LEU A 26 3.171 -2.367 -3.710 1.00 0.00 C ATOM 337 CD1 LEU A 26 2.567 -1.603 -2.542 1.00 0.00 C ATOM 338 CD2 LEU A 26 4.282 -1.557 -4.362 1.00 0.00 C ATOM 0 H LEU A 26 4.287 -6.114 -3.075 1.00 0.00 H new ATOM 0 HA LEU A 26 2.121 -4.599 -2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.257 -3.581 -2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.406 -4.092 -3.991 1.00 0.00 H new ATOM 0 HG LEU A 26 2.389 -2.536 -4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.197 -0.639 -2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.743 -2.177 -2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.328 -1.445 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.888 -0.593 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.086 -1.398 -3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.669 -2.099 -5.225 1.00 0.00 H new ATOM 350 N ILE A 27 2.110 -5.044 -5.364 1.00 0.00 N ATOM 351 CA ILE A 27 1.242 -5.071 -6.535 1.00 0.00 C ATOM 352 C ILE A 27 -0.044 -5.838 -6.249 1.00 0.00 C ATOM 353 O ILE A 27 -1.123 -5.451 -6.699 1.00 0.00 O ATOM 354 CB ILE A 27 1.950 -5.711 -7.745 1.00 0.00 C ATOM 355 CG1 ILE A 27 3.195 -4.904 -8.120 1.00 0.00 C ATOM 356 CG2 ILE A 27 0.997 -5.805 -8.926 1.00 0.00 C ATOM 357 CD1 ILE A 27 4.105 -5.617 -9.095 1.00 0.00 C ATOM 0 H ILE A 27 3.094 -5.222 -5.564 1.00 0.00 H new ATOM 0 HA ILE A 27 0.999 -4.035 -6.772 1.00 0.00 H new ATOM 0 HB ILE A 27 2.262 -6.720 -7.474 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.885 -3.953 -8.553 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.756 -4.674 -7.214 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.511 -6.259 -9.773 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.138 -6.417 -8.652 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.658 -4.806 -9.200 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.967 -4.987 -9.316 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.445 -6.555 -8.656 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.561 -5.823 -10.016 1.00 0.00 H new ATOM 369 N VAL A 28 0.077 -6.926 -5.496 1.00 0.00 N ATOM 370 CA VAL A 28 -1.077 -7.747 -5.147 1.00 0.00 C ATOM 371 C VAL A 28 -1.960 -7.045 -4.121 1.00 0.00 C ATOM 372 O VAL A 28 -3.187 -7.074 -4.219 1.00 0.00 O ATOM 373 CB VAL A 28 -0.644 -9.114 -4.585 1.00 0.00 C ATOM 374 CG1 VAL A 28 -1.859 -9.927 -4.163 1.00 0.00 C ATOM 375 CG2 VAL A 28 0.186 -9.872 -5.609 1.00 0.00 C ATOM 0 H VAL A 28 0.963 -7.260 -5.116 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.644 -7.903 -6.065 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.026 -8.946 -3.703 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.534 -10.890 -3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.409 -9.386 -3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.506 -10.088 -5.025 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.483 -10.835 -5.195 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.405 -10.031 -6.511 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.076 -9.293 -5.856 1.00 0.00 H new ATOM 385 N HIS A 29 -1.328 -6.413 -3.137 1.00 0.00 N ATOM 386 CA HIS A 29 -2.056 -5.701 -2.093 1.00 0.00 C ATOM 387 C HIS A 29 -2.810 -4.508 -2.673 1.00 0.00 C ATOM 388 O HIS A 29 -4.020 -4.380 -2.491 1.00 0.00 O ATOM 389 CB HIS A 29 -1.095 -5.230 -1.002 1.00 0.00 C ATOM 390 CG HIS A 29 -1.719 -4.288 -0.019 1.00 0.00 C ATOM 391 ND1 HIS A 29 -2.421 -4.714 1.090 1.00 0.00 N ATOM 392 CD2 HIS A 29 -1.744 -2.935 0.019 1.00 0.00 C ATOM 393 CE1 HIS A 29 -2.851 -3.663 1.765 1.00 0.00 C ATOM 394 NE2 HIS A 29 -2.453 -2.572 1.137 1.00 0.00 N ATOM 0 H HIS A 29 -0.313 -6.380 -3.041 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.780 -6.389 -1.656 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.712 -6.099 -0.467 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.240 -4.741 -1.469 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -2.583 -5.688 1.348 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.290 -2.266 -0.697 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -3.430 -3.691 2.676 1.00 0.00 H new ATOM 402 N GLN A 30 -2.086 -3.639 -3.371 1.00 0.00 N ATOM 403 CA GLN A 30 -2.687 -2.456 -3.976 1.00 0.00 C ATOM 404 C GLN A 30 -4.066 -2.776 -4.543 1.00 0.00 C ATOM 405 O GLN A 30 -4.918 -1.896 -4.662 1.00 0.00 O ATOM 406 CB GLN A 30 -1.782 -1.907 -5.080 1.00 0.00 C ATOM 407 CG GLN A 30 -0.575 -1.147 -4.556 1.00 0.00 C ATOM 408 CD GLN A 30 0.120 -0.340 -5.635 1.00 0.00 C ATOM 409 OE1 GLN A 30 -0.234 -0.420 -6.811 1.00 0.00 O ATOM 410 NE2 GLN A 30 1.116 0.444 -5.239 1.00 0.00 N ATOM 0 H GLN A 30 -1.083 -3.732 -3.532 1.00 0.00 H new ATOM 0 HA GLN A 30 -2.801 -1.699 -3.200 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.438 -2.734 -5.701 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.366 -1.247 -5.722 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.891 -0.479 -3.755 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.134 -1.853 -4.122 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.376 0.480 -4.253 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.621 1.011 -5.920 1.00 0.00 H new ATOM 419 N ARG A 31 -4.277 -4.041 -4.893 1.00 0.00 N ATOM 420 CA ARG A 31 -5.552 -4.476 -5.450 1.00 0.00 C ATOM 421 C ARG A 31 -6.696 -4.188 -4.481 1.00 0.00 C ATOM 422 O ARG A 31 -7.741 -3.671 -4.876 1.00 0.00 O ATOM 423 CB ARG A 31 -5.508 -5.971 -5.773 1.00 0.00 C ATOM 424 CG ARG A 31 -4.392 -6.355 -6.730 1.00 0.00 C ATOM 425 CD ARG A 31 -4.329 -7.860 -6.939 1.00 0.00 C ATOM 426 NE ARG A 31 -5.170 -8.294 -8.051 1.00 0.00 N ATOM 427 CZ ARG A 31 -4.774 -8.286 -9.319 1.00 0.00 C ATOM 428 NH1 ARG A 31 -3.555 -7.869 -9.633 1.00 0.00 N ATOM 429 NH2 ARG A 31 -5.597 -8.696 -10.275 1.00 0.00 N ATOM 0 H ARG A 31 -3.582 -4.782 -4.801 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.728 -3.917 -6.369 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.388 -6.531 -4.846 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.464 -6.269 -6.204 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.547 -5.860 -7.689 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.438 -6.001 -6.339 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.297 -8.157 -7.128 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.645 -8.366 -6.027 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.113 -8.621 -7.843 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.919 -7.554 -8.900 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.253 -7.864 -10.607 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.535 -9.018 -10.037 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.292 -8.689 -11.248 1.00 0.00 H new ATOM 443 N ILE A 32 -6.489 -4.526 -3.213 1.00 0.00 N ATOM 444 CA ILE A 32 -7.502 -4.303 -2.189 1.00 0.00 C ATOM 445 C ILE A 32 -7.966 -2.850 -2.182 1.00 0.00 C ATOM 446 O ILE A 32 -8.987 -2.516 -1.579 1.00 0.00 O ATOM 447 CB ILE A 32 -6.976 -4.668 -0.788 1.00 0.00 C ATOM 448 CG1 ILE A 32 -5.949 -3.634 -0.319 1.00 0.00 C ATOM 449 CG2 ILE A 32 -6.366 -6.061 -0.798 1.00 0.00 C ATOM 450 CD1 ILE A 32 -5.966 -3.400 1.175 1.00 0.00 C ATOM 0 H ILE A 32 -5.629 -4.955 -2.870 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.344 -4.950 -2.432 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.813 -4.664 -0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.953 -3.963 -0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.138 -2.689 -0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -5.999 -6.305 0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.123 -6.788 -1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.538 -6.091 -1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.213 -2.656 1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.950 -3.041 1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.747 -4.334 1.692 1.00 0.00 H new ATOM 462 N HIS A 33 -7.212 -1.990 -2.859 1.00 0.00 N ATOM 463 CA HIS A 33 -7.548 -0.573 -2.934 1.00 0.00 C ATOM 464 C HIS A 33 -8.078 -0.212 -4.318 1.00 0.00 C ATOM 465 O HIS A 33 -8.934 0.661 -4.459 1.00 0.00 O ATOM 466 CB HIS A 33 -6.322 0.281 -2.606 1.00 0.00 C ATOM 467 CG HIS A 33 -5.821 0.097 -1.207 1.00 0.00 C ATOM 468 ND1 HIS A 33 -6.549 0.459 -0.093 1.00 0.00 N ATOM 469 CD2 HIS A 33 -4.657 -0.416 -0.744 1.00 0.00 C ATOM 470 CE1 HIS A 33 -5.854 0.178 0.995 1.00 0.00 C ATOM 471 NE2 HIS A 33 -4.702 -0.355 0.628 1.00 0.00 N ATOM 0 H HIS A 33 -6.364 -2.250 -3.363 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.330 -0.371 -2.201 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -5.522 0.037 -3.305 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.570 1.331 -2.759 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -7.479 0.878 -0.107 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.844 -0.801 -1.342 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.173 0.354 2.012 1.00 0.00 H new ATOM 479 N THR A 34 -7.563 -0.891 -5.339 1.00 0.00 N ATOM 480 CA THR A 34 -7.982 -0.641 -6.712 1.00 0.00 C ATOM 481 C THR A 34 -9.500 -0.704 -6.844 1.00 0.00 C ATOM 482 O THR A 34 -10.160 -1.485 -6.160 1.00 0.00 O ATOM 483 CB THR A 34 -7.352 -1.654 -7.686 1.00 0.00 C ATOM 484 OG1 THR A 34 -7.576 -2.989 -7.217 1.00 0.00 O ATOM 485 CG2 THR A 34 -5.858 -1.407 -7.831 1.00 0.00 C ATOM 0 H THR A 34 -6.855 -1.618 -5.240 1.00 0.00 H new ATOM 0 HA THR A 34 -7.638 0.361 -6.969 1.00 0.00 H new ATOM 0 HB THR A 34 -7.822 -1.528 -8.661 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.045 -2.959 -6.357 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.435 -2.134 -8.524 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.691 -0.401 -8.215 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.376 -1.509 -6.859 1.00 0.00 H new ATOM 493 N GLY A 35 -10.048 0.124 -7.728 1.00 0.00 N ATOM 494 CA GLY A 35 -11.484 0.145 -7.933 1.00 0.00 C ATOM 495 C GLY A 35 -12.066 1.540 -7.814 1.00 0.00 C ATOM 496 O GLY A 35 -12.306 2.026 -6.710 1.00 0.00 O ATOM 0 H GLY A 35 -9.523 0.780 -8.306 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.713 -0.258 -8.919 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.962 -0.508 -7.203 1.00 0.00 H new ATOM 500 N GLU A 36 -12.292 2.185 -8.954 1.00 0.00 N ATOM 501 CA GLU A 36 -12.847 3.533 -8.972 1.00 0.00 C ATOM 502 C GLU A 36 -14.366 3.498 -8.831 1.00 0.00 C ATOM 503 O GLU A 36 -14.916 3.911 -7.810 1.00 0.00 O ATOM 504 CB GLU A 36 -12.460 4.251 -10.266 1.00 0.00 C ATOM 505 CG GLU A 36 -12.727 5.747 -10.236 1.00 0.00 C ATOM 506 CD GLU A 36 -12.023 6.442 -9.087 1.00 0.00 C ATOM 507 OE1 GLU A 36 -10.861 6.862 -9.271 1.00 0.00 O ATOM 508 OE2 GLU A 36 -12.633 6.566 -8.004 1.00 0.00 O ATOM 0 H GLU A 36 -12.099 1.796 -9.877 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.433 4.080 -8.125 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.401 4.083 -10.462 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -13.011 3.809 -11.096 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.402 6.189 -11.178 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.800 5.919 -10.157 1.00 0.00 H new ATOM 515 N LYS A 37 -15.038 3.003 -9.864 1.00 0.00 N ATOM 516 CA LYS A 37 -16.493 2.912 -9.858 1.00 0.00 C ATOM 517 C LYS A 37 -16.952 1.499 -10.203 1.00 0.00 C ATOM 518 O LYS A 37 -18.010 1.052 -9.759 1.00 0.00 O ATOM 519 CB LYS A 37 -17.091 3.911 -10.852 1.00 0.00 C ATOM 520 CG LYS A 37 -16.913 3.505 -12.304 1.00 0.00 C ATOM 521 CD LYS A 37 -18.029 4.052 -13.178 1.00 0.00 C ATOM 522 CE LYS A 37 -19.193 3.077 -13.271 1.00 0.00 C ATOM 523 NZ LYS A 37 -18.929 1.992 -14.256 1.00 0.00 N ATOM 0 H LYS A 37 -14.598 2.658 -10.717 1.00 0.00 H new ATOM 0 HA LYS A 37 -16.843 3.153 -8.854 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.155 4.026 -10.643 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.629 4.886 -10.697 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.953 3.869 -12.669 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -16.891 2.418 -12.378 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -18.379 5.001 -12.771 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.643 4.256 -14.177 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -19.380 2.640 -12.290 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -20.096 3.616 -13.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.745 1.348 -14.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -18.776 2.407 -15.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -18.082 1.462 -13.969 1.00 0.00 H new ATOM 537 N LEU A 38 -16.149 0.799 -10.997 1.00 0.00 N ATOM 538 CA LEU A 38 -16.472 -0.565 -11.401 1.00 0.00 C ATOM 539 C LEU A 38 -16.516 -1.495 -10.193 1.00 0.00 C ATOM 540 O LEU A 38 -15.616 -1.482 -9.354 1.00 0.00 O ATOM 541 CB LEU A 38 -15.445 -1.075 -12.414 1.00 0.00 C ATOM 542 CG LEU A 38 -14.194 -1.731 -11.829 1.00 0.00 C ATOM 543 CD1 LEU A 38 -13.429 -2.480 -12.909 1.00 0.00 C ATOM 544 CD2 LEU A 38 -13.305 -0.689 -11.167 1.00 0.00 C ATOM 0 H LEU A 38 -15.270 1.153 -11.374 1.00 0.00 H new ATOM 0 HA LEU A 38 -17.458 -0.556 -11.865 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -15.936 -1.795 -13.068 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.134 -0.238 -13.039 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.505 -2.449 -11.070 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.542 -2.940 -12.474 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -14.067 -3.254 -13.336 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.129 -1.784 -13.692 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.420 -1.174 -10.756 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.002 0.053 -11.906 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.855 -0.198 -10.364 1.00 0.00 H new ATOM 556 N SER A 39 -17.569 -2.303 -10.112 1.00 0.00 N ATOM 557 CA SER A 39 -17.732 -3.238 -9.005 1.00 0.00 C ATOM 558 C SER A 39 -17.283 -2.607 -7.690 1.00 0.00 C ATOM 559 O SER A 39 -16.705 -3.275 -6.834 1.00 0.00 O ATOM 560 CB SER A 39 -16.933 -4.516 -9.269 1.00 0.00 C ATOM 561 OG SER A 39 -17.709 -5.464 -9.982 1.00 0.00 O ATOM 0 H SER A 39 -18.322 -2.329 -10.800 1.00 0.00 H new ATOM 0 HA SER A 39 -18.790 -3.488 -8.925 1.00 0.00 H new ATOM 0 HB2 SER A 39 -16.034 -4.276 -9.837 1.00 0.00 H new ATOM 0 HB3 SER A 39 -16.606 -4.947 -8.322 1.00 0.00 H new ATOM 0 HG SER A 39 -17.176 -6.271 -10.140 1.00 0.00 H new ATOM 567 N GLY A 40 -17.556 -1.315 -7.538 1.00 0.00 N ATOM 568 CA GLY A 40 -17.174 -0.614 -6.326 1.00 0.00 C ATOM 569 C GLY A 40 -15.680 -0.660 -6.076 1.00 0.00 C ATOM 570 O GLY A 40 -14.881 -0.854 -6.992 1.00 0.00 O ATOM 0 H GLY A 40 -18.035 -0.741 -8.232 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -17.496 0.425 -6.394 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.695 -1.054 -5.476 1.00 0.00 H new ATOM 574 N PRO A 41 -15.283 -0.477 -4.808 1.00 0.00 N ATOM 575 CA PRO A 41 -13.872 -0.494 -4.410 1.00 0.00 C ATOM 576 C PRO A 41 -13.259 -1.887 -4.505 1.00 0.00 C ATOM 577 O PRO A 41 -12.062 -2.065 -4.278 1.00 0.00 O ATOM 578 CB PRO A 41 -13.908 -0.023 -2.954 1.00 0.00 C ATOM 579 CG PRO A 41 -15.272 -0.382 -2.474 1.00 0.00 C ATOM 580 CD PRO A 41 -16.180 -0.242 -3.664 1.00 0.00 C ATOM 0 HA PRO A 41 -13.258 0.131 -5.059 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.137 -0.514 -2.360 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -13.732 1.050 -2.880 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -15.293 -1.400 -2.085 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -15.586 0.276 -1.664 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -16.994 -0.967 -3.636 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -16.636 0.747 -3.707 1.00 0.00 H new ATOM 588 N SER A 42 -14.087 -2.871 -4.840 1.00 0.00 N ATOM 589 CA SER A 42 -13.626 -4.249 -4.962 1.00 0.00 C ATOM 590 C SER A 42 -13.181 -4.794 -3.608 1.00 0.00 C ATOM 591 O SER A 42 -12.212 -5.548 -3.518 1.00 0.00 O ATOM 592 CB SER A 42 -12.473 -4.338 -5.964 1.00 0.00 C ATOM 593 OG SER A 42 -12.203 -5.684 -6.312 1.00 0.00 O ATOM 0 H SER A 42 -15.080 -2.740 -5.032 1.00 0.00 H new ATOM 0 HA SER A 42 -14.458 -4.854 -5.323 1.00 0.00 H new ATOM 0 HB2 SER A 42 -12.722 -3.770 -6.861 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.579 -3.883 -5.536 1.00 0.00 H new ATOM 0 HG SER A 42 -12.041 -6.206 -5.499 1.00 0.00 H new ATOM 599 N SER A 43 -13.896 -4.406 -2.557 1.00 0.00 N ATOM 600 CA SER A 43 -13.573 -4.852 -1.206 1.00 0.00 C ATOM 601 C SER A 43 -14.470 -6.014 -0.789 1.00 0.00 C ATOM 602 O SER A 43 -15.469 -5.824 -0.096 1.00 0.00 O ATOM 603 CB SER A 43 -13.723 -3.696 -0.216 1.00 0.00 C ATOM 604 OG SER A 43 -12.638 -2.790 -0.322 1.00 0.00 O ATOM 0 H SER A 43 -14.702 -3.784 -2.614 1.00 0.00 H new ATOM 0 HA SER A 43 -12.538 -5.194 -1.200 1.00 0.00 H new ATOM 0 HB2 SER A 43 -14.659 -3.171 -0.405 1.00 0.00 H new ATOM 0 HB3 SER A 43 -13.776 -4.088 0.800 1.00 0.00 H new ATOM 0 HG SER A 43 -12.758 -2.059 0.320 1.00 0.00 H new ATOM 610 N GLY A 44 -14.106 -7.219 -1.217 1.00 0.00 N ATOM 611 CA GLY A 44 -14.887 -8.394 -0.879 1.00 0.00 C ATOM 612 C GLY A 44 -14.257 -9.675 -1.390 1.00 0.00 C ATOM 613 O GLY A 44 -13.197 -9.615 -2.011 1.00 0.00 O ATOM 0 H GLY A 44 -13.284 -7.402 -1.792 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.998 -8.454 0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.889 -8.293 -1.297 1.00 0.00 H new TER 617 GLY A 44 HETATM 618 ZN ZN A 201 -2.430 -0.242 1.131 1.00 0.00 ZN