USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 484 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 28 HIS HD1 : A 28 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HD1 : A 56 HIS ND1 : A 401 ZNZN :(H bumps) 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 180:sc= 0 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 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 48:sc= 0.727 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.118 K(o=-0.12,f=-0.73) USER MOD Single : A 27 TYR OH : rot 180:sc=-0.00476 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 MET CE :methyl -157:sc= -0.0723 (180deg=-1.33) USER MOD Single : A 47 MET CE :methyl 141:sc= -0.127 (180deg=-2.37!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.15 F(o=-1.8!,f=-0.15) USER MOD Single : A 52 SER OG : rot -50:sc= 0.668 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0969 K(o=-0.097,f=-1.9!) USER MOD Single : A 65 THR OG1 : rot 53:sc= 0.308 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 26:sc= 0.21 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.386 20.119 15.146 1.00 0.00 N ATOM 2 CA GLY A 1 -2.183 20.539 13.772 1.00 0.00 C ATOM 3 C GLY A 1 -1.118 19.722 13.068 1.00 0.00 C ATOM 4 O GLY A 1 -1.342 18.562 12.724 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.123 20.708 15.584 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.683 19.122 15.164 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.498 20.226 15.676 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.123 20.453 13.226 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.900 21.591 13.755 1.00 0.00 H new ATOM 8 N SER A 2 0.044 20.330 12.850 1.00 0.00 N ATOM 9 CA SER A 2 1.147 19.653 12.177 1.00 0.00 C ATOM 10 C SER A 2 0.716 19.148 10.804 1.00 0.00 C ATOM 11 O SER A 2 0.367 17.978 10.642 1.00 0.00 O ATOM 12 CB SER A 2 1.652 18.486 13.027 1.00 0.00 C ATOM 13 OG SER A 2 2.898 18.009 12.550 1.00 0.00 O ATOM 0 H SER A 2 0.246 21.290 13.130 1.00 0.00 H new ATOM 0 HA SER A 2 1.955 20.372 12.044 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.754 18.805 14.064 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.920 17.678 13.013 1.00 0.00 H new ATOM 0 HG SER A 2 3.200 17.264 13.111 1.00 0.00 H new ATOM 19 N SER A 3 0.744 20.038 9.817 1.00 0.00 N ATOM 20 CA SER A 3 0.353 19.684 8.457 1.00 0.00 C ATOM 21 C SER A 3 1.439 20.076 7.460 1.00 0.00 C ATOM 22 O SER A 3 1.606 21.251 7.136 1.00 0.00 O ATOM 23 CB SER A 3 -0.965 20.369 8.088 1.00 0.00 C ATOM 24 OG SER A 3 -1.854 19.460 7.463 1.00 0.00 O ATOM 0 H SER A 3 1.033 21.009 9.933 1.00 0.00 H new ATOM 0 HA SER A 3 0.217 18.603 8.414 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.430 20.778 8.985 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.768 21.208 7.420 1.00 0.00 H new ATOM 0 HG SER A 3 -2.689 19.921 7.239 1.00 0.00 H new ATOM 30 N GLY A 4 2.177 19.081 6.977 1.00 0.00 N ATOM 31 CA GLY A 4 3.238 19.340 6.022 1.00 0.00 C ATOM 32 C GLY A 4 4.425 18.416 6.209 1.00 0.00 C ATOM 33 O GLY A 4 4.264 17.200 6.307 1.00 0.00 O ATOM 0 H GLY A 4 2.059 18.100 7.230 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.848 19.225 5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.567 20.374 6.121 1.00 0.00 H new ATOM 37 N SER A 5 5.621 18.994 6.257 1.00 0.00 N ATOM 38 CA SER A 5 6.841 18.213 6.428 1.00 0.00 C ATOM 39 C SER A 5 7.203 17.482 5.138 1.00 0.00 C ATOM 40 O SER A 5 8.259 17.722 4.552 1.00 0.00 O ATOM 41 CB SER A 5 6.672 17.207 7.567 1.00 0.00 C ATOM 42 OG SER A 5 7.929 16.734 8.021 1.00 0.00 O ATOM 0 H SER A 5 5.771 20.000 6.180 1.00 0.00 H new ATOM 0 HA SER A 5 7.651 18.899 6.676 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.136 17.675 8.393 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.065 16.368 7.228 1.00 0.00 H new ATOM 0 HG SER A 5 7.794 16.094 8.750 1.00 0.00 H new ATOM 48 N SER A 6 6.320 16.590 4.703 1.00 0.00 N ATOM 49 CA SER A 6 6.547 15.820 3.485 1.00 0.00 C ATOM 50 C SER A 6 7.623 14.762 3.705 1.00 0.00 C ATOM 51 O SER A 6 8.631 15.012 4.364 1.00 0.00 O ATOM 52 CB SER A 6 6.954 16.748 2.339 1.00 0.00 C ATOM 53 OG SER A 6 5.985 16.736 1.305 1.00 0.00 O ATOM 0 H SER A 6 5.440 16.382 5.175 1.00 0.00 H new ATOM 0 HA SER A 6 5.616 15.317 3.223 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.076 17.764 2.715 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.920 16.437 1.940 1.00 0.00 H new ATOM 0 HG SER A 6 6.267 17.338 0.585 1.00 0.00 H new ATOM 59 N GLY A 7 7.401 13.576 3.146 1.00 0.00 N ATOM 60 CA GLY A 7 8.359 12.496 3.291 1.00 0.00 C ATOM 61 C GLY A 7 7.695 11.135 3.347 1.00 0.00 C ATOM 62 O GLY A 7 6.601 10.991 3.895 1.00 0.00 O ATOM 0 H GLY A 7 6.574 13.344 2.595 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.059 12.521 2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.941 12.650 4.200 1.00 0.00 H new ATOM 66 N CYS A 8 8.355 10.132 2.778 1.00 0.00 N ATOM 67 CA CYS A 8 7.822 8.775 2.764 1.00 0.00 C ATOM 68 C CYS A 8 7.216 8.414 4.117 1.00 0.00 C ATOM 69 O CYS A 8 7.918 8.351 5.126 1.00 0.00 O ATOM 70 CB CYS A 8 8.923 7.776 2.403 1.00 0.00 C ATOM 71 SG CYS A 8 8.376 6.038 2.396 1.00 0.00 S ATOM 0 H CYS A 8 9.261 10.234 2.320 1.00 0.00 H new ATOM 0 HA CYS A 8 7.036 8.728 2.010 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.317 8.026 1.418 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.744 7.885 3.112 1.00 0.00 H new ATOM 76 N ASP A 9 5.908 8.179 4.129 1.00 0.00 N ATOM 77 CA ASP A 9 5.207 7.823 5.357 1.00 0.00 C ATOM 78 C ASP A 9 5.312 6.325 5.629 1.00 0.00 C ATOM 79 O ASP A 9 4.381 5.712 6.148 1.00 0.00 O ATOM 80 CB ASP A 9 3.737 8.235 5.268 1.00 0.00 C ATOM 81 CG ASP A 9 3.324 9.156 6.399 1.00 0.00 C ATOM 82 OD1 ASP A 9 2.908 8.643 7.460 1.00 0.00 O ATOM 83 OD2 ASP A 9 3.417 10.389 6.225 1.00 0.00 O ATOM 0 H ASP A 9 5.312 8.229 3.302 1.00 0.00 H new ATOM 0 HA ASP A 9 5.677 8.358 6.182 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.559 8.733 4.315 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.111 7.343 5.283 1.00 0.00 H new ATOM 88 N SER A 10 6.453 5.743 5.272 1.00 0.00 N ATOM 89 CA SER A 10 6.679 4.317 5.473 1.00 0.00 C ATOM 90 C SER A 10 8.043 4.067 6.109 1.00 0.00 C ATOM 91 O SER A 10 8.180 3.233 7.004 1.00 0.00 O ATOM 92 CB SER A 10 6.579 3.571 4.141 1.00 0.00 C ATOM 93 OG SER A 10 6.446 2.175 4.347 1.00 0.00 O ATOM 0 H SER A 10 7.235 6.237 4.842 1.00 0.00 H new ATOM 0 HA SER A 10 5.910 3.944 6.149 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.723 3.942 3.576 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.467 3.770 3.541 1.00 0.00 H new ATOM 0 HG SER A 10 6.382 1.721 3.481 1.00 0.00 H new ATOM 99 N CYS A 11 9.050 4.795 5.639 1.00 0.00 N ATOM 100 CA CYS A 11 10.404 4.654 6.159 1.00 0.00 C ATOM 101 C CYS A 11 10.952 6.001 6.623 1.00 0.00 C ATOM 102 O CYS A 11 12.159 6.237 6.585 1.00 0.00 O ATOM 103 CB CYS A 11 11.324 4.058 5.091 1.00 0.00 C ATOM 104 SG CYS A 11 11.582 5.138 3.646 1.00 0.00 S ATOM 0 H CYS A 11 8.953 5.489 4.898 1.00 0.00 H new ATOM 0 HA CYS A 11 10.369 3.981 7.016 1.00 0.00 H new ATOM 0 HB2 CYS A 11 12.291 3.836 5.542 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.905 3.110 4.753 1.00 0.00 H new ATOM 109 N GLU A 12 10.055 6.878 7.062 1.00 0.00 N ATOM 110 CA GLU A 12 10.449 8.201 7.533 1.00 0.00 C ATOM 111 C GLU A 12 11.624 8.740 6.723 1.00 0.00 C ATOM 112 O GLU A 12 12.663 9.098 7.277 1.00 0.00 O ATOM 113 CB GLU A 12 10.820 8.149 9.017 1.00 0.00 C ATOM 114 CG GLU A 12 9.647 7.823 9.927 1.00 0.00 C ATOM 115 CD GLU A 12 9.818 6.499 10.647 1.00 0.00 C ATOM 116 OE1 GLU A 12 10.508 5.612 10.102 1.00 0.00 O ATOM 117 OE2 GLU A 12 9.263 6.351 11.755 1.00 0.00 O ATOM 0 H GLU A 12 9.052 6.697 7.101 1.00 0.00 H new ATOM 0 HA GLU A 12 9.601 8.873 7.401 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.600 7.401 9.162 1.00 0.00 H new ATOM 0 HB3 GLU A 12 11.241 9.110 9.311 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.530 8.619 10.662 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.731 7.796 9.337 1.00 0.00 H new ATOM 124 N LYS A 13 11.452 8.794 5.406 1.00 0.00 N ATOM 125 CA LYS A 13 12.496 9.289 4.517 1.00 0.00 C ATOM 126 C LYS A 13 11.897 10.104 3.376 1.00 0.00 C ATOM 127 O LYS A 13 10.888 9.717 2.786 1.00 0.00 O ATOM 128 CB LYS A 13 13.309 8.122 3.952 1.00 0.00 C ATOM 129 CG LYS A 13 13.989 7.282 5.019 1.00 0.00 C ATOM 130 CD LYS A 13 15.502 7.328 4.884 1.00 0.00 C ATOM 131 CE LYS A 13 16.189 6.812 6.139 1.00 0.00 C ATOM 132 NZ LYS A 13 16.954 5.561 5.878 1.00 0.00 N ATOM 0 H LYS A 13 10.598 8.501 4.931 1.00 0.00 H new ATOM 0 HA LYS A 13 13.155 9.936 5.096 1.00 0.00 H new ATOM 0 HB2 LYS A 13 12.651 7.483 3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.066 8.513 3.272 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.700 7.642 6.006 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.647 6.250 4.944 1.00 0.00 H new ATOM 0 HD2 LYS A 13 15.810 6.729 4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.820 8.352 4.689 1.00 0.00 H new ATOM 0 HE2 LYS A 13 16.864 7.577 6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.443 6.627 6.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 17.407 5.241 6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 16.306 4.823 5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 17.683 5.744 5.159 1.00 0.00 H new ATOM 146 N TYR A 14 12.524 11.234 3.069 1.00 0.00 N ATOM 147 CA TYR A 14 12.052 12.105 1.999 1.00 0.00 C ATOM 148 C TYR A 14 12.088 11.384 0.655 1.00 0.00 C ATOM 149 O TYR A 14 12.879 10.463 0.453 1.00 0.00 O ATOM 150 CB TYR A 14 12.904 13.374 1.932 1.00 0.00 C ATOM 151 CG TYR A 14 12.381 14.403 0.956 1.00 0.00 C ATOM 152 CD1 TYR A 14 11.168 15.044 1.176 1.00 0.00 C ATOM 153 CD2 TYR A 14 13.099 14.733 -0.187 1.00 0.00 C ATOM 154 CE1 TYR A 14 10.686 15.985 0.286 1.00 0.00 C ATOM 155 CE2 TYR A 14 12.626 15.674 -1.081 1.00 0.00 C ATOM 156 CZ TYR A 14 11.419 16.297 -0.840 1.00 0.00 C ATOM 157 OH TYR A 14 10.943 17.233 -1.729 1.00 0.00 O ATOM 0 H TYR A 14 13.361 11.569 3.546 1.00 0.00 H new ATOM 0 HA TYR A 14 11.020 12.380 2.217 1.00 0.00 H new ATOM 0 HB2 TYR A 14 12.955 13.820 2.925 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.922 13.104 1.651 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.592 14.803 2.057 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.043 14.245 -0.380 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.741 16.473 0.471 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.198 15.920 -1.963 1.00 0.00 H new ATOM 0 HH TYR A 14 11.580 17.337 -2.467 1.00 0.00 H new ATOM 167 N ILE A 15 11.225 11.811 -0.261 1.00 0.00 N ATOM 168 CA ILE A 15 11.158 11.208 -1.586 1.00 0.00 C ATOM 169 C ILE A 15 11.622 12.187 -2.659 1.00 0.00 C ATOM 170 O ILE A 15 10.996 13.224 -2.884 1.00 0.00 O ATOM 171 CB ILE A 15 9.729 10.739 -1.920 1.00 0.00 C ATOM 172 CG1 ILE A 15 9.159 9.911 -0.766 1.00 0.00 C ATOM 173 CG2 ILE A 15 9.724 9.933 -3.210 1.00 0.00 C ATOM 174 CD1 ILE A 15 7.661 9.716 -0.845 1.00 0.00 C ATOM 0 H ILE A 15 10.563 12.572 -0.110 1.00 0.00 H new ATOM 0 HA ILE A 15 11.822 10.344 -1.573 1.00 0.00 H new ATOM 0 HB ILE A 15 9.097 11.616 -2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.644 8.935 -0.755 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.405 10.399 0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.707 9.609 -3.432 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.095 10.552 -4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.367 9.060 -3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.326 9.120 0.004 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.166 10.687 -0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.410 9.200 -1.772 1.00 0.00 H new ATOM 186 N THR A 16 12.725 11.851 -3.322 1.00 0.00 N ATOM 187 CA THR A 16 13.273 12.700 -4.373 1.00 0.00 C ATOM 188 C THR A 16 12.608 12.413 -5.714 1.00 0.00 C ATOM 189 O THR A 16 13.105 11.614 -6.506 1.00 0.00 O ATOM 190 CB THR A 16 14.795 12.504 -4.515 1.00 0.00 C ATOM 191 OG1 THR A 16 15.090 11.129 -4.781 1.00 0.00 O ATOM 192 CG2 THR A 16 15.517 12.948 -3.252 1.00 0.00 C ATOM 0 H THR A 16 13.256 10.997 -3.150 1.00 0.00 H new ATOM 0 HA THR A 16 13.071 13.732 -4.084 1.00 0.00 H new ATOM 0 HB THR A 16 15.142 13.116 -5.348 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.507 10.802 -5.497 1.00 0.00 H new ATOM 0 HG21 THR A 16 16.590 12.800 -3.375 1.00 0.00 H new ATOM 0 HG22 THR A 16 15.314 14.003 -3.069 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.165 12.359 -2.405 1.00 0.00 H new ATOM 200 N GLY A 17 11.481 13.073 -5.963 1.00 0.00 N ATOM 201 CA GLY A 17 10.766 12.875 -7.211 1.00 0.00 C ATOM 202 C GLY A 17 9.286 12.628 -6.998 1.00 0.00 C ATOM 203 O GLY A 17 8.658 13.266 -6.153 1.00 0.00 O ATOM 0 H GLY A 17 11.050 13.741 -5.323 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.897 13.752 -7.845 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.199 12.029 -7.744 1.00 0.00 H new ATOM 207 N ARG A 18 8.726 11.700 -7.768 1.00 0.00 N ATOM 208 CA ARG A 18 7.309 11.373 -7.662 1.00 0.00 C ATOM 209 C ARG A 18 7.024 10.605 -6.375 1.00 0.00 C ATOM 210 O ARG A 18 7.877 9.872 -5.874 1.00 0.00 O ATOM 211 CB ARG A 18 6.863 10.547 -8.870 1.00 0.00 C ATOM 212 CG ARG A 18 6.939 11.304 -10.186 1.00 0.00 C ATOM 213 CD ARG A 18 7.157 10.361 -11.359 1.00 0.00 C ATOM 214 NE ARG A 18 8.465 9.714 -11.306 1.00 0.00 N ATOM 215 CZ ARG A 18 8.761 8.599 -11.965 1.00 0.00 C ATOM 216 NH1 ARG A 18 7.847 8.011 -12.724 1.00 0.00 N ATOM 217 NH2 ARG A 18 9.974 8.071 -11.867 1.00 0.00 N ATOM 0 H ARG A 18 9.232 11.162 -8.472 1.00 0.00 H new ATOM 0 HA ARG A 18 6.747 12.306 -7.641 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.484 9.654 -8.938 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.838 10.212 -8.712 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.018 11.867 -10.337 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.752 12.028 -10.144 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.376 9.600 -11.362 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.065 10.916 -12.292 1.00 0.00 H new ATOM 0 HE ARG A 18 9.191 10.142 -10.731 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.914 8.415 -12.803 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.077 7.155 -13.229 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.681 8.521 -11.285 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.200 7.215 -12.373 1.00 0.00 H new ATOM 231 N VAL A 19 5.818 10.778 -5.843 1.00 0.00 N ATOM 232 CA VAL A 19 5.419 10.102 -4.615 1.00 0.00 C ATOM 233 C VAL A 19 4.050 9.449 -4.766 1.00 0.00 C ATOM 234 O VAL A 19 3.161 9.991 -5.425 1.00 0.00 O ATOM 235 CB VAL A 19 5.382 11.077 -3.424 1.00 0.00 C ATOM 236 CG1 VAL A 19 6.627 11.950 -3.409 1.00 0.00 C ATOM 237 CG2 VAL A 19 4.123 11.931 -3.474 1.00 0.00 C ATOM 0 H VAL A 19 5.100 11.381 -6.244 1.00 0.00 H new ATOM 0 HA VAL A 19 6.166 9.332 -4.421 1.00 0.00 H new ATOM 0 HB VAL A 19 5.364 10.496 -2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.583 12.632 -2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.512 11.320 -3.322 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.680 12.524 -4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.113 12.614 -2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.109 12.504 -4.401 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.245 11.287 -3.432 1.00 0.00 H new ATOM 247 N LEU A 20 3.886 8.282 -4.153 1.00 0.00 N ATOM 248 CA LEU A 20 2.623 7.554 -4.218 1.00 0.00 C ATOM 249 C LEU A 20 1.615 8.123 -3.226 1.00 0.00 C ATOM 250 O LEU A 20 1.734 7.917 -2.018 1.00 0.00 O ATOM 251 CB LEU A 20 2.853 6.069 -3.935 1.00 0.00 C ATOM 252 CG LEU A 20 3.430 5.247 -5.088 1.00 0.00 C ATOM 253 CD1 LEU A 20 4.177 4.033 -4.557 1.00 0.00 C ATOM 254 CD2 LEU A 20 2.326 4.819 -6.043 1.00 0.00 C ATOM 0 H LEU A 20 4.612 7.819 -3.605 1.00 0.00 H new ATOM 0 HA LEU A 20 2.218 7.667 -5.224 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.525 5.982 -3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.903 5.625 -3.639 1.00 0.00 H new ATOM 0 HG LEU A 20 4.135 5.872 -5.636 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.581 3.460 -5.392 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.993 4.361 -3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.493 3.407 -3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.755 4.235 -6.857 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.596 4.212 -5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.834 5.703 -6.450 1.00 0.00 H new ATOM 266 N GLU A 21 0.620 8.837 -3.744 1.00 0.00 N ATOM 267 CA GLU A 21 -0.410 9.434 -2.902 1.00 0.00 C ATOM 268 C GLU A 21 -1.660 8.559 -2.869 1.00 0.00 C ATOM 269 O GLU A 21 -2.332 8.380 -3.885 1.00 0.00 O ATOM 270 CB GLU A 21 -0.767 10.833 -3.409 1.00 0.00 C ATOM 271 CG GLU A 21 -1.015 10.893 -4.906 1.00 0.00 C ATOM 272 CD GLU A 21 0.230 11.259 -5.690 1.00 0.00 C ATOM 273 OE1 GLU A 21 1.049 12.045 -5.169 1.00 0.00 O ATOM 274 OE2 GLU A 21 0.386 10.760 -6.824 1.00 0.00 O ATOM 0 H GLU A 21 0.506 9.016 -4.742 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.015 9.512 -1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.658 11.183 -2.887 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.041 11.519 -3.155 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.384 9.926 -5.248 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.797 11.624 -5.112 1.00 0.00 H new ATOM 281 N ALA A 22 -1.964 8.016 -1.695 1.00 0.00 N ATOM 282 CA ALA A 22 -3.133 7.161 -1.529 1.00 0.00 C ATOM 283 C ALA A 22 -4.013 7.651 -0.384 1.00 0.00 C ATOM 284 O ALA A 22 -3.784 7.314 0.777 1.00 0.00 O ATOM 285 CB ALA A 22 -2.705 5.721 -1.288 1.00 0.00 C ATOM 0 H ALA A 22 -1.417 8.153 -0.845 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.718 7.206 -2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.589 5.094 -1.166 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.124 5.367 -2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.096 5.669 -0.386 1.00 0.00 H new ATOM 291 N GLY A 23 -5.022 8.450 -0.719 1.00 0.00 N ATOM 292 CA GLY A 23 -5.921 8.974 0.293 1.00 0.00 C ATOM 293 C GLY A 23 -5.433 10.284 0.879 1.00 0.00 C ATOM 294 O GLY A 23 -5.994 11.343 0.601 1.00 0.00 O ATOM 0 H GLY A 23 -5.233 8.744 -1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.909 9.120 -0.144 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.031 8.241 1.092 1.00 0.00 H new ATOM 298 N GLU A 24 -4.385 10.211 1.695 1.00 0.00 N ATOM 299 CA GLU A 24 -3.824 11.401 2.324 1.00 0.00 C ATOM 300 C GLU A 24 -2.419 11.126 2.853 1.00 0.00 C ATOM 301 O GLU A 24 -1.946 11.797 3.770 1.00 0.00 O ATOM 302 CB GLU A 24 -4.727 11.876 3.465 1.00 0.00 C ATOM 303 CG GLU A 24 -5.404 13.208 3.192 1.00 0.00 C ATOM 304 CD GLU A 24 -4.413 14.342 3.017 1.00 0.00 C ATOM 305 OE1 GLU A 24 -3.834 14.460 1.917 1.00 0.00 O ATOM 306 OE2 GLU A 24 -4.217 15.111 3.981 1.00 0.00 O ATOM 0 H GLU A 24 -3.909 9.342 1.935 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.762 12.185 1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.491 11.121 3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.134 11.960 4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.015 13.123 2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.078 13.444 4.015 1.00 0.00 H new ATOM 313 N LYS A 25 -1.758 10.132 2.269 1.00 0.00 N ATOM 314 CA LYS A 25 -0.407 9.767 2.679 1.00 0.00 C ATOM 315 C LYS A 25 0.482 9.520 1.464 1.00 0.00 C ATOM 316 O LYS A 25 0.003 9.117 0.403 1.00 0.00 O ATOM 317 CB LYS A 25 -0.441 8.517 3.561 1.00 0.00 C ATOM 318 CG LYS A 25 -1.076 8.750 4.921 1.00 0.00 C ATOM 319 CD LYS A 25 -0.212 8.197 6.042 1.00 0.00 C ATOM 320 CE LYS A 25 -0.983 7.212 6.906 1.00 0.00 C ATOM 321 NZ LYS A 25 -0.143 6.664 8.007 1.00 0.00 N ATOM 0 H LYS A 25 -2.136 9.565 1.510 1.00 0.00 H new ATOM 0 HA LYS A 25 0.010 10.597 3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.991 7.731 3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.577 8.154 3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.231 9.818 5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.058 8.278 4.951 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.663 7.704 5.619 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.152 9.017 6.660 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.858 7.707 7.328 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.348 6.393 6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.705 5.997 8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.679 6.170 7.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.185 7.442 8.614 1.00 0.00 H new ATOM 335 N HIS A 26 1.779 9.764 1.626 1.00 0.00 N ATOM 336 CA HIS A 26 2.735 9.566 0.543 1.00 0.00 C ATOM 337 C HIS A 26 3.719 8.451 0.884 1.00 0.00 C ATOM 338 O HIS A 26 4.081 8.263 2.045 1.00 0.00 O ATOM 339 CB HIS A 26 3.494 10.863 0.261 1.00 0.00 C ATOM 340 CG HIS A 26 2.647 12.092 0.388 1.00 0.00 C ATOM 341 ND1 HIS A 26 2.313 12.654 1.602 1.00 0.00 N ATOM 342 CD2 HIS A 26 2.066 12.869 -0.556 1.00 0.00 C ATOM 343 CE1 HIS A 26 1.563 13.722 1.400 1.00 0.00 C ATOM 344 NE2 HIS A 26 1.399 13.875 0.098 1.00 0.00 N ATOM 0 H HIS A 26 2.191 10.099 2.497 1.00 0.00 H new ATOM 0 HA HIS A 26 2.180 9.277 -0.350 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.336 10.939 0.950 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.909 10.820 -0.746 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.118 12.724 -1.625 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.154 14.361 2.168 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.864 14.620 -0.349 1.00 0.00 H new ATOM 352 N TYR A 27 4.147 7.714 -0.135 1.00 0.00 N ATOM 353 CA TYR A 27 5.086 6.616 0.057 1.00 0.00 C ATOM 354 C TYR A 27 6.056 6.516 -1.117 1.00 0.00 C ATOM 355 O TYR A 27 5.770 6.994 -2.216 1.00 0.00 O ATOM 356 CB TYR A 27 4.332 5.295 0.223 1.00 0.00 C ATOM 357 CG TYR A 27 3.216 5.360 1.241 1.00 0.00 C ATOM 358 CD1 TYR A 27 3.492 5.408 2.602 1.00 0.00 C ATOM 359 CD2 TYR A 27 1.885 5.371 0.842 1.00 0.00 C ATOM 360 CE1 TYR A 27 2.476 5.466 3.536 1.00 0.00 C ATOM 361 CE2 TYR A 27 0.862 5.431 1.769 1.00 0.00 C ATOM 362 CZ TYR A 27 1.163 5.478 3.114 1.00 0.00 C ATOM 363 OH TYR A 27 0.146 5.536 4.040 1.00 0.00 O ATOM 0 H TYR A 27 3.858 7.857 -1.103 1.00 0.00 H new ATOM 0 HA TYR A 27 5.659 6.817 0.962 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.917 4.999 -0.741 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.037 4.518 0.518 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.519 5.400 2.935 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.646 5.332 -0.211 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.708 5.502 4.590 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.167 5.441 1.442 1.00 0.00 H new ATOM 0 HH TYR A 27 -0.718 5.538 3.577 1.00 0.00 H new ATOM 373 N HIS A 28 7.204 5.892 -0.876 1.00 0.00 N ATOM 374 CA HIS A 28 8.217 5.727 -1.913 1.00 0.00 C ATOM 375 C HIS A 28 7.682 4.883 -3.066 1.00 0.00 C ATOM 376 O HIS A 28 6.723 4.125 -2.919 1.00 0.00 O ATOM 377 CB HIS A 28 9.473 5.079 -1.330 1.00 0.00 C ATOM 378 CG HIS A 28 10.487 6.068 -0.844 1.00 0.00 C ATOM 379 ND1 HIS A 28 11.084 5.986 0.396 1.00 0.00 N ATOM 380 CD2 HIS A 28 11.010 7.166 -1.440 1.00 0.00 C ATOM 381 CE1 HIS A 28 11.930 6.991 0.542 1.00 0.00 C ATOM 382 NE2 HIS A 28 11.904 7.721 -0.558 1.00 0.00 N ATOM 0 H HIS A 28 7.457 5.492 0.028 1.00 0.00 H new ATOM 0 HA HIS A 28 8.472 6.714 -2.297 1.00 0.00 H new ATOM 0 HB2 HIS A 28 9.186 4.429 -0.503 1.00 0.00 H new ATOM 0 HB3 HIS A 28 9.931 4.445 -2.090 1.00 0.00 H new ATOM 0 HD2 HIS A 28 10.769 7.536 -2.426 1.00 0.00 H new ATOM 0 HE1 HIS A 28 12.539 7.183 1.413 1.00 0.00 H new ATOM 0 HE2 HIS A 28 12.458 8.561 -0.725 1.00 0.00 H new ATOM 390 N PRO A 29 8.316 5.015 -4.241 1.00 0.00 N ATOM 391 CA PRO A 29 7.920 4.272 -5.441 1.00 0.00 C ATOM 392 C PRO A 29 8.231 2.784 -5.330 1.00 0.00 C ATOM 393 O PRO A 29 7.972 2.015 -6.256 1.00 0.00 O ATOM 394 CB PRO A 29 8.762 4.913 -6.548 1.00 0.00 C ATOM 395 CG PRO A 29 9.951 5.471 -5.845 1.00 0.00 C ATOM 396 CD PRO A 29 9.466 5.900 -4.488 1.00 0.00 C ATOM 0 HA PRO A 29 6.846 4.325 -5.618 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.054 4.179 -7.298 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.206 5.694 -7.066 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.740 4.724 -5.759 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.369 6.314 -6.395 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.238 5.777 -3.728 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.174 6.950 -4.479 1.00 0.00 H new ATOM 404 N SER A 30 8.789 2.384 -4.192 1.00 0.00 N ATOM 405 CA SER A 30 9.138 0.987 -3.961 1.00 0.00 C ATOM 406 C SER A 30 8.580 0.500 -2.627 1.00 0.00 C ATOM 407 O SER A 30 8.225 -0.670 -2.479 1.00 0.00 O ATOM 408 CB SER A 30 10.657 0.808 -3.987 1.00 0.00 C ATOM 409 OG SER A 30 11.122 0.586 -5.307 1.00 0.00 O ATOM 0 H SER A 30 9.009 3.008 -3.415 1.00 0.00 H new ATOM 0 HA SER A 30 8.695 0.391 -4.759 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.138 1.694 -3.573 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.938 -0.033 -3.353 1.00 0.00 H new ATOM 0 HG SER A 30 12.096 0.476 -5.297 1.00 0.00 H new ATOM 415 N CYS A 31 8.506 1.406 -1.658 1.00 0.00 N ATOM 416 CA CYS A 31 7.992 1.072 -0.335 1.00 0.00 C ATOM 417 C CYS A 31 6.537 0.619 -0.416 1.00 0.00 C ATOM 418 O CYS A 31 6.129 -0.316 0.273 1.00 0.00 O ATOM 419 CB CYS A 31 8.112 2.276 0.600 1.00 0.00 C ATOM 420 SG CYS A 31 9.803 2.583 1.205 1.00 0.00 S ATOM 0 H CYS A 31 8.796 2.378 -1.764 1.00 0.00 H new ATOM 0 HA CYS A 31 8.588 0.251 0.063 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.758 3.165 0.078 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.453 2.125 1.455 1.00 0.00 H new ATOM 425 N ALA A 32 5.761 1.288 -1.261 1.00 0.00 N ATOM 426 CA ALA A 32 4.353 0.953 -1.433 1.00 0.00 C ATOM 427 C ALA A 32 4.145 0.064 -2.655 1.00 0.00 C ATOM 428 O ALA A 32 4.147 0.541 -3.790 1.00 0.00 O ATOM 429 CB ALA A 32 3.520 2.221 -1.553 1.00 0.00 C ATOM 0 H ALA A 32 6.083 2.065 -1.837 1.00 0.00 H new ATOM 0 HA ALA A 32 4.027 0.398 -0.553 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.470 1.956 -1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.636 2.819 -0.649 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.857 2.797 -2.415 1.00 0.00 H new ATOM 435 N LEU A 33 3.967 -1.230 -2.415 1.00 0.00 N ATOM 436 CA LEU A 33 3.759 -2.187 -3.496 1.00 0.00 C ATOM 437 C LEU A 33 2.484 -2.994 -3.271 1.00 0.00 C ATOM 438 O LEU A 33 2.164 -3.368 -2.143 1.00 0.00 O ATOM 439 CB LEU A 33 4.959 -3.129 -3.608 1.00 0.00 C ATOM 440 CG LEU A 33 6.337 -2.468 -3.568 1.00 0.00 C ATOM 441 CD1 LEU A 33 7.435 -3.519 -3.638 1.00 0.00 C ATOM 442 CD2 LEU A 33 6.481 -1.467 -4.705 1.00 0.00 C ATOM 0 H LEU A 33 3.962 -1.641 -1.481 1.00 0.00 H new ATOM 0 HA LEU A 33 3.655 -1.629 -4.427 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.903 -3.855 -2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.872 -3.686 -4.541 1.00 0.00 H new ATOM 0 HG LEU A 33 6.435 -1.932 -2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.409 -3.030 -3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.344 -4.198 -2.790 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.340 -4.083 -4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.468 -1.006 -4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.362 -1.981 -5.659 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.716 -0.696 -4.610 1.00 0.00 H new ATOM 454 N CYS A 34 1.760 -3.261 -4.353 1.00 0.00 N ATOM 455 CA CYS A 34 0.521 -4.025 -4.276 1.00 0.00 C ATOM 456 C CYS A 34 0.717 -5.298 -3.458 1.00 0.00 C ATOM 457 O CYS A 34 1.528 -6.155 -3.809 1.00 0.00 O ATOM 458 CB CYS A 34 0.026 -4.378 -5.680 1.00 0.00 C ATOM 459 SG CYS A 34 -1.361 -5.558 -5.705 1.00 0.00 S ATOM 0 H CYS A 34 2.011 -2.959 -5.294 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.227 -3.407 -3.780 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.281 -3.463 -6.186 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.855 -4.796 -6.251 1.00 0.00 H new ATOM 464 N VAL A 35 -0.032 -5.415 -2.367 1.00 0.00 N ATOM 465 CA VAL A 35 0.058 -6.584 -1.499 1.00 0.00 C ATOM 466 C VAL A 35 -0.241 -7.865 -2.271 1.00 0.00 C ATOM 467 O VAL A 35 0.248 -8.940 -1.922 1.00 0.00 O ATOM 468 CB VAL A 35 -0.914 -6.476 -0.310 1.00 0.00 C ATOM 469 CG1 VAL A 35 -0.661 -5.196 0.473 1.00 0.00 C ATOM 470 CG2 VAL A 35 -2.356 -6.539 -0.792 1.00 0.00 C ATOM 0 H VAL A 35 -0.708 -4.715 -2.062 1.00 0.00 H new ATOM 0 HA VAL A 35 1.080 -6.620 -1.121 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.740 -7.321 0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.358 -5.137 1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.361 -5.197 0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.805 -4.335 -0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.029 -6.461 0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.546 -5.715 -1.480 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.527 -7.486 -1.304 1.00 0.00 H new ATOM 480 N ARG A 36 -1.046 -7.742 -3.321 1.00 0.00 N ATOM 481 CA ARG A 36 -1.411 -8.891 -4.142 1.00 0.00 C ATOM 482 C ARG A 36 -0.221 -9.368 -4.969 1.00 0.00 C ATOM 483 O ARG A 36 0.368 -10.411 -4.686 1.00 0.00 O ATOM 484 CB ARG A 36 -2.578 -8.535 -5.065 1.00 0.00 C ATOM 485 CG ARG A 36 -3.279 -9.747 -5.656 1.00 0.00 C ATOM 486 CD ARG A 36 -4.699 -9.881 -5.129 1.00 0.00 C ATOM 487 NE ARG A 36 -5.288 -11.174 -5.466 1.00 0.00 N ATOM 488 CZ ARG A 36 -5.070 -12.284 -4.770 1.00 0.00 C ATOM 489 NH1 ARG A 36 -4.280 -12.259 -3.705 1.00 0.00 N ATOM 490 NH2 ARG A 36 -5.642 -13.423 -5.139 1.00 0.00 N ATOM 0 H ARG A 36 -1.458 -6.859 -3.623 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.716 -9.699 -3.477 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.303 -7.942 -4.507 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.210 -7.907 -5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.299 -9.663 -6.743 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.714 -10.648 -5.417 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.697 -9.755 -4.046 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.316 -9.083 -5.542 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.900 -11.228 -6.280 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.838 -11.386 -3.418 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.115 -13.113 -3.173 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.250 -13.447 -5.958 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.474 -14.275 -4.604 1.00 0.00 H new ATOM 504 N CYS A 37 0.128 -8.596 -5.993 1.00 0.00 N ATOM 505 CA CYS A 37 1.247 -8.939 -6.863 1.00 0.00 C ATOM 506 C CYS A 37 2.525 -8.242 -6.405 1.00 0.00 C ATOM 507 O CYS A 37 3.580 -8.866 -6.298 1.00 0.00 O ATOM 508 CB CYS A 37 0.932 -8.552 -8.310 1.00 0.00 C ATOM 509 SG CYS A 37 0.702 -6.764 -8.568 1.00 0.00 S ATOM 0 H CYS A 37 -0.348 -7.729 -6.241 1.00 0.00 H new ATOM 0 HA CYS A 37 1.402 -10.017 -6.807 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.741 -8.900 -8.952 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.028 -9.073 -8.626 1.00 0.00 H new ATOM 514 N GLY A 38 2.421 -6.944 -6.136 1.00 0.00 N ATOM 515 CA GLY A 38 3.575 -6.184 -5.693 1.00 0.00 C ATOM 516 C GLY A 38 4.233 -5.417 -6.823 1.00 0.00 C ATOM 517 O GLY A 38 5.452 -5.248 -6.839 1.00 0.00 O ATOM 0 H GLY A 38 1.558 -6.406 -6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.269 -5.486 -4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.303 -6.861 -5.246 1.00 0.00 H new ATOM 521 N GLN A 39 3.425 -4.954 -7.771 1.00 0.00 N ATOM 522 CA GLN A 39 3.937 -4.203 -8.911 1.00 0.00 C ATOM 523 C GLN A 39 3.818 -2.701 -8.671 1.00 0.00 C ATOM 524 O GLN A 39 2.731 -2.190 -8.406 1.00 0.00 O ATOM 525 CB GLN A 39 3.183 -4.590 -10.184 1.00 0.00 C ATOM 526 CG GLN A 39 3.530 -5.977 -10.699 1.00 0.00 C ATOM 527 CD GLN A 39 3.623 -6.032 -12.211 1.00 0.00 C ATOM 528 OE1 GLN A 39 4.689 -6.294 -12.770 1.00 0.00 O ATOM 529 NE2 GLN A 39 2.505 -5.784 -12.883 1.00 0.00 N ATOM 0 H GLN A 39 2.414 -5.086 -7.772 1.00 0.00 H new ATOM 0 HA GLN A 39 4.992 -4.450 -9.033 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.111 -4.541 -9.991 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.400 -3.858 -10.962 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.480 -6.293 -10.269 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.775 -6.686 -10.359 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.644 -5.571 -12.379 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.507 -5.806 -13.903 1.00 0.00 H new ATOM 538 N MET A 40 4.944 -2.001 -8.767 1.00 0.00 N ATOM 539 CA MET A 40 4.964 -0.557 -8.562 1.00 0.00 C ATOM 540 C MET A 40 3.866 0.123 -9.373 1.00 0.00 C ATOM 541 O MET A 40 3.290 -0.476 -10.281 1.00 0.00 O ATOM 542 CB MET A 40 6.329 0.015 -8.950 1.00 0.00 C ATOM 543 CG MET A 40 7.443 -0.364 -7.988 1.00 0.00 C ATOM 544 SD MET A 40 8.422 -1.760 -8.574 1.00 0.00 S ATOM 545 CE MET A 40 8.721 -2.633 -7.039 1.00 0.00 C ATOM 0 H MET A 40 5.853 -2.409 -8.985 1.00 0.00 H new ATOM 0 HA MET A 40 4.783 -0.363 -7.505 1.00 0.00 H new ATOM 0 HB2 MET A 40 6.589 -0.334 -9.949 1.00 0.00 H new ATOM 0 HB3 MET A 40 6.257 1.101 -9.000 1.00 0.00 H new ATOM 0 HG2 MET A 40 8.096 0.495 -7.838 1.00 0.00 H new ATOM 0 HG3 MET A 40 7.012 -0.610 -7.018 1.00 0.00 H new ATOM 0 HE1 MET A 40 9.610 -3.255 -7.141 1.00 0.00 H new ATOM 0 HE2 MET A 40 8.872 -1.913 -6.234 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.863 -3.263 -6.806 1.00 0.00 H new ATOM 555 N PHE A 41 3.580 1.377 -9.038 1.00 0.00 N ATOM 556 CA PHE A 41 2.549 2.138 -9.734 1.00 0.00 C ATOM 557 C PHE A 41 3.122 3.430 -10.309 1.00 0.00 C ATOM 558 O PHE A 41 4.336 3.631 -10.323 1.00 0.00 O ATOM 559 CB PHE A 41 1.393 2.458 -8.785 1.00 0.00 C ATOM 560 CG PHE A 41 1.034 1.320 -7.872 1.00 0.00 C ATOM 561 CD1 PHE A 41 1.919 0.892 -6.897 1.00 0.00 C ATOM 562 CD2 PHE A 41 -0.189 0.679 -7.991 1.00 0.00 C ATOM 563 CE1 PHE A 41 1.592 -0.155 -6.055 1.00 0.00 C ATOM 564 CE2 PHE A 41 -0.521 -0.367 -7.152 1.00 0.00 C ATOM 565 CZ PHE A 41 0.370 -0.786 -6.184 1.00 0.00 C ATOM 0 H PHE A 41 4.048 1.888 -8.289 1.00 0.00 H new ATOM 0 HA PHE A 41 2.176 1.528 -10.557 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.658 3.327 -8.183 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.517 2.732 -9.372 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.876 1.382 -6.793 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.890 1.001 -8.747 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.291 -0.479 -5.298 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.478 -0.857 -7.253 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.112 -1.605 -5.529 1.00 0.00 H new ATOM 575 N ALA A 42 2.239 4.302 -10.784 1.00 0.00 N ATOM 576 CA ALA A 42 2.656 5.575 -11.359 1.00 0.00 C ATOM 577 C ALA A 42 2.596 6.692 -10.322 1.00 0.00 C ATOM 578 O ALA A 42 2.538 6.433 -9.121 1.00 0.00 O ATOM 579 CB ALA A 42 1.788 5.921 -12.560 1.00 0.00 C ATOM 0 H ALA A 42 1.230 4.150 -10.782 1.00 0.00 H new ATOM 0 HA ALA A 42 3.690 5.475 -11.688 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.110 6.874 -12.979 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.884 5.141 -13.315 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.747 5.996 -12.247 1.00 0.00 H new ATOM 585 N GLU A 43 2.611 7.934 -10.796 1.00 0.00 N ATOM 586 CA GLU A 43 2.560 9.090 -9.908 1.00 0.00 C ATOM 587 C GLU A 43 1.154 9.681 -9.864 1.00 0.00 C ATOM 588 O GLU A 43 0.982 10.898 -9.818 1.00 0.00 O ATOM 589 CB GLU A 43 3.560 10.155 -10.364 1.00 0.00 C ATOM 590 CG GLU A 43 3.143 10.877 -11.634 1.00 0.00 C ATOM 591 CD GLU A 43 3.546 12.339 -11.633 1.00 0.00 C ATOM 592 OE1 GLU A 43 2.898 13.132 -10.918 1.00 0.00 O ATOM 593 OE2 GLU A 43 4.507 12.690 -12.348 1.00 0.00 O ATOM 0 H GLU A 43 2.658 8.165 -11.788 1.00 0.00 H new ATOM 0 HA GLU A 43 2.826 8.758 -8.905 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.688 10.886 -9.566 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.530 9.685 -10.525 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.593 10.381 -12.494 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.062 10.802 -11.752 1.00 0.00 H new ATOM 600 N GLY A 44 0.151 8.808 -9.880 1.00 0.00 N ATOM 601 CA GLY A 44 -1.227 9.262 -9.843 1.00 0.00 C ATOM 602 C GLY A 44 -2.196 8.214 -10.352 1.00 0.00 C ATOM 603 O GLY A 44 -3.111 8.524 -11.115 1.00 0.00 O ATOM 0 H GLY A 44 0.268 7.795 -9.918 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.491 9.530 -8.820 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.325 10.166 -10.445 1.00 0.00 H new ATOM 607 N GLU A 45 -1.995 6.969 -9.930 1.00 0.00 N ATOM 608 CA GLU A 45 -2.858 5.872 -10.351 1.00 0.00 C ATOM 609 C GLU A 45 -4.068 5.746 -9.429 1.00 0.00 C ATOM 610 O GLU A 45 -3.980 6.021 -8.233 1.00 0.00 O ATOM 611 CB GLU A 45 -2.077 4.556 -10.366 1.00 0.00 C ATOM 612 CG GLU A 45 -1.212 4.376 -11.603 1.00 0.00 C ATOM 613 CD GLU A 45 -1.999 4.522 -12.891 1.00 0.00 C ATOM 614 OE1 GLU A 45 -2.096 5.656 -13.403 1.00 0.00 O ATOM 615 OE2 GLU A 45 -2.518 3.499 -13.387 1.00 0.00 O ATOM 0 H GLU A 45 -1.243 6.696 -9.298 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.211 6.089 -11.359 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.444 4.509 -9.480 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.780 3.725 -10.300 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.406 5.110 -11.589 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.746 3.391 -11.576 1.00 0.00 H new ATOM 622 N GLU A 46 -5.196 5.331 -9.996 1.00 0.00 N ATOM 623 CA GLU A 46 -6.424 5.171 -9.226 1.00 0.00 C ATOM 624 C GLU A 46 -6.725 3.695 -8.982 1.00 0.00 C ATOM 625 O GLU A 46 -6.903 2.923 -9.924 1.00 0.00 O ATOM 626 CB GLU A 46 -7.598 5.829 -9.953 1.00 0.00 C ATOM 627 CG GLU A 46 -7.468 7.337 -10.079 1.00 0.00 C ATOM 628 CD GLU A 46 -7.198 7.783 -11.503 1.00 0.00 C ATOM 629 OE1 GLU A 46 -6.037 7.670 -11.949 1.00 0.00 O ATOM 630 OE2 GLU A 46 -8.147 8.245 -12.171 1.00 0.00 O ATOM 0 H GLU A 46 -5.285 5.100 -10.985 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.284 5.660 -8.262 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.686 5.396 -10.949 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.520 5.596 -9.421 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.384 7.808 -9.722 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.660 7.683 -9.435 1.00 0.00 H new ATOM 637 N MET A 47 -6.779 3.310 -7.711 1.00 0.00 N ATOM 638 CA MET A 47 -7.059 1.927 -7.343 1.00 0.00 C ATOM 639 C MET A 47 -7.811 1.858 -6.018 1.00 0.00 C ATOM 640 O MET A 47 -7.926 2.857 -5.306 1.00 0.00 O ATOM 641 CB MET A 47 -5.757 1.129 -7.246 1.00 0.00 C ATOM 642 CG MET A 47 -4.730 1.754 -6.316 1.00 0.00 C ATOM 643 SD MET A 47 -3.911 3.185 -7.047 1.00 0.00 S ATOM 644 CE MET A 47 -2.241 2.966 -6.440 1.00 0.00 C ATOM 0 H MET A 47 -6.633 3.936 -6.919 1.00 0.00 H new ATOM 0 HA MET A 47 -7.687 1.491 -8.120 1.00 0.00 H new ATOM 0 HB2 MET A 47 -5.983 0.121 -6.899 1.00 0.00 H new ATOM 0 HB3 MET A 47 -5.323 1.034 -8.242 1.00 0.00 H new ATOM 0 HG2 MET A 47 -5.220 2.054 -5.390 1.00 0.00 H new ATOM 0 HG3 MET A 47 -3.981 1.007 -6.053 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.531 3.235 -7.222 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.083 3.605 -5.571 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.091 1.924 -6.156 1.00 0.00 H new ATOM 654 N TYR A 48 -8.320 0.676 -5.692 1.00 0.00 N ATOM 655 CA TYR A 48 -9.063 0.478 -4.453 1.00 0.00 C ATOM 656 C TYR A 48 -8.123 0.445 -3.253 1.00 0.00 C ATOM 657 O TYR A 48 -6.971 0.023 -3.363 1.00 0.00 O ATOM 658 CB TYR A 48 -9.870 -0.819 -4.519 1.00 0.00 C ATOM 659 CG TYR A 48 -10.705 -0.951 -5.773 1.00 0.00 C ATOM 660 CD1 TYR A 48 -10.188 -1.550 -6.915 1.00 0.00 C ATOM 661 CD2 TYR A 48 -12.009 -0.474 -5.817 1.00 0.00 C ATOM 662 CE1 TYR A 48 -10.947 -1.672 -8.064 1.00 0.00 C ATOM 663 CE2 TYR A 48 -12.775 -0.593 -6.960 1.00 0.00 C ATOM 664 CZ TYR A 48 -12.239 -1.192 -8.081 1.00 0.00 C ATOM 665 OH TYR A 48 -12.999 -1.311 -9.222 1.00 0.00 O ATOM 0 H TYR A 48 -8.232 -0.161 -6.269 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.747 1.318 -4.332 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.186 -1.666 -4.457 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.525 -0.874 -3.649 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -9.176 -1.927 -6.905 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.431 -0.002 -4.942 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.530 -2.141 -8.943 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.788 -0.219 -6.976 1.00 0.00 H new ATOM 0 HH TYR A 48 -13.886 -0.924 -9.066 1.00 0.00 H new ATOM 675 N LEU A 49 -8.622 0.892 -2.106 1.00 0.00 N ATOM 676 CA LEU A 49 -7.827 0.914 -0.883 1.00 0.00 C ATOM 677 C LEU A 49 -8.649 0.431 0.309 1.00 0.00 C ATOM 678 O LEU A 49 -9.573 1.111 0.753 1.00 0.00 O ATOM 679 CB LEU A 49 -7.303 2.326 -0.616 1.00 0.00 C ATOM 680 CG LEU A 49 -5.810 2.545 -0.859 1.00 0.00 C ATOM 681 CD1 LEU A 49 -5.569 3.068 -2.267 1.00 0.00 C ATOM 682 CD2 LEU A 49 -5.236 3.504 0.173 1.00 0.00 C ATOM 0 H LEU A 49 -9.573 1.244 -1.997 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.982 0.239 -1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.859 3.023 -1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.524 2.584 0.420 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.301 1.586 -0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.500 3.218 -2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.943 2.345 -2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.091 4.016 -2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.172 3.648 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.750 4.463 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.374 3.089 1.172 1.00 0.00 H new ATOM 694 N GLN A 50 -8.303 -0.746 0.821 1.00 0.00 N ATOM 695 CA GLN A 50 -9.008 -1.318 1.962 1.00 0.00 C ATOM 696 C GLN A 50 -8.158 -1.233 3.225 1.00 0.00 C ATOM 697 O GLN A 50 -7.004 -1.660 3.240 1.00 0.00 O ATOM 698 CB GLN A 50 -9.379 -2.775 1.680 1.00 0.00 C ATOM 699 CG GLN A 50 -10.750 -3.167 2.207 1.00 0.00 C ATOM 700 CD GLN A 50 -11.065 -4.632 1.982 1.00 0.00 C ATOM 701 OE1 GLN A 50 -12.283 -4.914 1.533 1.00 0.00 O flip ATOM 702 NE2 GLN A 50 -10.224 -5.502 2.209 1.00 0.00 N flip ATOM 0 H GLN A 50 -7.540 -1.321 0.464 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.920 -0.742 2.120 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.350 -2.947 0.604 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.627 -3.426 2.127 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.801 -2.948 3.274 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.510 -2.557 1.720 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.300 -5.241 2.553 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -10.451 -6.484 2.053 1.00 0.00 H new ATOM 711 N GLY A 51 -8.737 -0.678 4.286 1.00 0.00 N ATOM 712 CA GLY A 51 -8.018 -0.546 5.540 1.00 0.00 C ATOM 713 C GLY A 51 -6.801 0.348 5.419 1.00 0.00 C ATOM 714 O GLY A 51 -6.851 1.527 5.770 1.00 0.00 O ATOM 0 H GLY A 51 -9.691 -0.318 4.299 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.688 -0.141 6.299 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.707 -1.533 5.883 1.00 0.00 H new ATOM 718 N SER A 52 -5.703 -0.212 4.921 1.00 0.00 N ATOM 719 CA SER A 52 -4.465 0.542 4.760 1.00 0.00 C ATOM 720 C SER A 52 -3.516 -0.171 3.801 1.00 0.00 C ATOM 721 O SER A 52 -2.296 -0.101 3.952 1.00 0.00 O ATOM 722 CB SER A 52 -3.784 0.741 6.115 1.00 0.00 C ATOM 723 OG SER A 52 -2.668 1.607 6.003 1.00 0.00 O ATOM 0 H SER A 52 -5.646 -1.185 4.622 1.00 0.00 H new ATOM 0 HA SER A 52 -4.714 1.517 4.340 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.498 1.154 6.827 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.462 -0.223 6.509 1.00 0.00 H new ATOM 0 HG SER A 52 -2.091 1.304 5.271 1.00 0.00 H new ATOM 729 N SER A 53 -4.086 -0.856 2.815 1.00 0.00 N ATOM 730 CA SER A 53 -3.292 -1.586 1.833 1.00 0.00 C ATOM 731 C SER A 53 -3.652 -1.154 0.415 1.00 0.00 C ATOM 732 O SER A 53 -4.778 -0.732 0.150 1.00 0.00 O ATOM 733 CB SER A 53 -3.506 -3.092 1.990 1.00 0.00 C ATOM 734 OG SER A 53 -3.444 -3.477 3.352 1.00 0.00 O ATOM 0 H SER A 53 -5.094 -0.921 2.675 1.00 0.00 H new ATOM 0 HA SER A 53 -2.241 -1.356 2.009 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.474 -3.370 1.574 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.748 -3.631 1.422 1.00 0.00 H new ATOM 0 HG SER A 53 -3.586 -4.444 3.425 1.00 0.00 H new ATOM 740 N ILE A 54 -2.688 -1.263 -0.493 1.00 0.00 N ATOM 741 CA ILE A 54 -2.903 -0.885 -1.884 1.00 0.00 C ATOM 742 C ILE A 54 -3.319 -2.089 -2.722 1.00 0.00 C ATOM 743 O ILE A 54 -2.528 -3.005 -2.947 1.00 0.00 O ATOM 744 CB ILE A 54 -1.638 -0.258 -2.499 1.00 0.00 C ATOM 745 CG1 ILE A 54 -1.229 0.991 -1.717 1.00 0.00 C ATOM 746 CG2 ILE A 54 -1.873 0.081 -3.964 1.00 0.00 C ATOM 747 CD1 ILE A 54 0.267 1.132 -1.542 1.00 0.00 C ATOM 0 H ILE A 54 -1.751 -1.610 -0.290 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.704 -0.146 -1.890 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.826 -0.983 -2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.611 1.873 -2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.701 0.965 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.970 0.523 -4.385 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.121 -0.828 -4.512 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.696 0.791 -4.046 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.483 2.040 -0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.653 0.268 -1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.744 1.190 -2.520 1.00 0.00 H new ATOM 759 N TRP A 55 -4.564 -2.079 -3.184 1.00 0.00 N ATOM 760 CA TRP A 55 -5.086 -3.170 -4.000 1.00 0.00 C ATOM 761 C TRP A 55 -5.317 -2.713 -5.436 1.00 0.00 C ATOM 762 O TRP A 55 -6.136 -1.830 -5.692 1.00 0.00 O ATOM 763 CB TRP A 55 -6.390 -3.702 -3.404 1.00 0.00 C ATOM 764 CG TRP A 55 -6.240 -4.208 -2.001 1.00 0.00 C ATOM 765 CD1 TRP A 55 -6.455 -3.506 -0.849 1.00 0.00 C ATOM 766 CD2 TRP A 55 -5.841 -5.524 -1.603 1.00 0.00 C ATOM 767 NE1 TRP A 55 -6.213 -4.307 0.241 1.00 0.00 N ATOM 768 CE2 TRP A 55 -5.836 -5.550 -0.195 1.00 0.00 C ATOM 769 CE3 TRP A 55 -5.489 -6.684 -2.299 1.00 0.00 C ATOM 770 CZ2 TRP A 55 -5.491 -6.689 0.527 1.00 0.00 C ATOM 771 CZ3 TRP A 55 -5.148 -7.814 -1.581 1.00 0.00 C ATOM 772 CH2 TRP A 55 -5.151 -7.810 -0.180 1.00 0.00 C ATOM 0 H TRP A 55 -5.231 -1.328 -3.008 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.346 -3.971 -4.008 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -7.138 -2.909 -3.418 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -6.767 -4.507 -4.034 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.769 -2.474 -0.802 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.300 -4.022 1.217 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -5.484 -6.697 -3.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.492 -6.688 1.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.874 -8.716 -2.109 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.880 -8.710 0.352 1.00 0.00 H new ATOM 783 N HIS A 56 -4.591 -3.320 -6.369 1.00 0.00 N ATOM 784 CA HIS A 56 -4.719 -2.976 -7.781 1.00 0.00 C ATOM 785 C HIS A 56 -6.170 -3.083 -8.237 1.00 0.00 C ATOM 786 O HIS A 56 -7.010 -3.698 -7.579 1.00 0.00 O ATOM 787 CB HIS A 56 -3.835 -3.888 -8.632 1.00 0.00 C ATOM 788 CG HIS A 56 -2.477 -3.320 -8.908 1.00 0.00 C ATOM 789 ND1 HIS A 56 -1.309 -4.018 -8.683 1.00 0.00 N ATOM 790 CD2 HIS A 56 -2.104 -2.112 -9.393 1.00 0.00 C ATOM 791 CE1 HIS A 56 -0.277 -3.265 -9.017 1.00 0.00 C ATOM 792 NE2 HIS A 56 -0.732 -2.103 -9.452 1.00 0.00 N ATOM 0 H HIS A 56 -3.908 -4.052 -6.173 1.00 0.00 H new ATOM 0 HA HIS A 56 -4.392 -1.944 -7.909 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.723 -4.847 -8.125 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.337 -4.085 -9.579 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -2.763 -1.306 -9.680 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.762 -3.550 -8.947 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.158 -1.326 -9.778 1.00 0.00 H new ATOM 800 N PRO A 57 -6.476 -2.471 -9.392 1.00 0.00 N ATOM 801 CA PRO A 57 -7.826 -2.484 -9.961 1.00 0.00 C ATOM 802 C PRO A 57 -8.226 -3.864 -10.473 1.00 0.00 C ATOM 803 O PRO A 57 -9.396 -4.242 -10.415 1.00 0.00 O ATOM 804 CB PRO A 57 -7.731 -1.490 -11.121 1.00 0.00 C ATOM 805 CG PRO A 57 -6.291 -1.489 -11.503 1.00 0.00 C ATOM 806 CD PRO A 57 -5.525 -1.721 -10.229 1.00 0.00 C ATOM 0 HA PRO A 57 -8.583 -2.225 -9.221 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -8.362 -1.795 -11.956 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.061 -0.496 -10.819 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.080 -2.271 -12.233 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.009 -0.541 -11.961 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.612 -2.289 -10.407 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.231 -0.782 -9.760 1.00 0.00 H new ATOM 814 N ALA A 58 -7.248 -4.611 -10.974 1.00 0.00 N ATOM 815 CA ALA A 58 -7.498 -5.949 -11.494 1.00 0.00 C ATOM 816 C ALA A 58 -7.279 -7.006 -10.417 1.00 0.00 C ATOM 817 O ALA A 58 -8.044 -7.965 -10.309 1.00 0.00 O ATOM 818 CB ALA A 58 -6.606 -6.224 -12.695 1.00 0.00 C ATOM 0 H ALA A 58 -6.275 -4.312 -11.031 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.540 -6.000 -11.810 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.804 -7.227 -13.073 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.814 -5.494 -13.477 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.560 -6.148 -12.397 1.00 0.00 H new ATOM 824 N CYS A 59 -6.230 -6.825 -9.621 1.00 0.00 N ATOM 825 CA CYS A 59 -5.910 -7.764 -8.553 1.00 0.00 C ATOM 826 C CYS A 59 -7.078 -7.901 -7.580 1.00 0.00 C ATOM 827 O CYS A 59 -7.655 -8.979 -7.436 1.00 0.00 O ATOM 828 CB CYS A 59 -4.658 -7.305 -7.801 1.00 0.00 C ATOM 829 SG CYS A 59 -3.148 -7.278 -8.820 1.00 0.00 S ATOM 0 H CYS A 59 -5.587 -6.036 -9.696 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.720 -8.738 -9.004 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.832 -6.306 -7.402 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.497 -7.965 -6.948 1.00 0.00 H new ATOM 834 N ARG A 60 -7.421 -6.802 -6.917 1.00 0.00 N ATOM 835 CA ARG A 60 -8.519 -6.799 -5.958 1.00 0.00 C ATOM 836 C ARG A 60 -9.660 -7.693 -6.436 1.00 0.00 C ATOM 837 O ARG A 60 -10.118 -8.573 -5.708 1.00 0.00 O ATOM 838 CB ARG A 60 -9.030 -5.374 -5.739 1.00 0.00 C ATOM 839 CG ARG A 60 -9.503 -5.108 -4.320 1.00 0.00 C ATOM 840 CD ARG A 60 -11.016 -5.213 -4.208 1.00 0.00 C ATOM 841 NE ARG A 60 -11.563 -4.246 -3.260 1.00 0.00 N ATOM 842 CZ ARG A 60 -11.585 -4.437 -1.946 1.00 0.00 C ATOM 843 NH1 ARG A 60 -11.092 -5.553 -1.426 1.00 0.00 N ATOM 844 NH2 ARG A 60 -12.100 -3.510 -1.148 1.00 0.00 N ATOM 0 H ARG A 60 -6.954 -5.902 -7.026 1.00 0.00 H new ATOM 0 HA ARG A 60 -8.144 -7.192 -5.013 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.235 -4.670 -5.986 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.852 -5.182 -6.429 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.036 -5.821 -3.640 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.182 -4.114 -4.009 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.464 -5.053 -5.189 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.287 -6.221 -3.895 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.949 -3.376 -3.627 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.694 -6.268 -2.036 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.110 -5.697 -0.416 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.479 -2.650 -1.544 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.116 -3.658 -0.139 1.00 0.00 H new ATOM 858 N GLN A 61 -10.113 -7.459 -7.663 1.00 0.00 N ATOM 859 CA GLN A 61 -11.202 -8.242 -8.237 1.00 0.00 C ATOM 860 C GLN A 61 -11.098 -9.705 -7.821 1.00 0.00 C ATOM 861 O GLN A 61 -12.084 -10.315 -7.409 1.00 0.00 O ATOM 862 CB GLN A 61 -11.188 -8.131 -9.763 1.00 0.00 C ATOM 863 CG GLN A 61 -11.554 -6.747 -10.275 1.00 0.00 C ATOM 864 CD GLN A 61 -12.062 -6.769 -11.704 1.00 0.00 C ATOM 865 OE1 GLN A 61 -12.237 -7.834 -12.296 1.00 0.00 O ATOM 866 NE2 GLN A 61 -12.301 -5.590 -12.265 1.00 0.00 N ATOM 0 H GLN A 61 -9.744 -6.735 -8.279 1.00 0.00 H new ATOM 0 HA GLN A 61 -12.143 -7.842 -7.859 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -10.196 -8.394 -10.129 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -11.885 -8.859 -10.179 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -12.318 -6.315 -9.628 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.680 -6.098 -10.214 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -12.142 -4.732 -11.737 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -12.644 -5.542 -13.224 1.00 0.00 H new ATOM 875 N ALA A 62 -9.897 -10.263 -7.932 1.00 0.00 N ATOM 876 CA ALA A 62 -9.664 -11.654 -7.566 1.00 0.00 C ATOM 877 C ALA A 62 -9.720 -11.841 -6.054 1.00 0.00 C ATOM 878 O ALA A 62 -10.371 -12.759 -5.556 1.00 0.00 O ATOM 879 CB ALA A 62 -8.323 -12.126 -8.108 1.00 0.00 C ATOM 0 H ALA A 62 -9.070 -9.772 -8.273 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.456 -12.257 -8.010 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.163 -13.167 -7.827 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.319 -12.039 -9.195 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.525 -11.511 -7.692 1.00 0.00 H new ATOM 885 N ALA A 63 -9.033 -10.965 -5.328 1.00 0.00 N ATOM 886 CA ALA A 63 -9.006 -11.032 -3.872 1.00 0.00 C ATOM 887 C ALA A 63 -10.141 -10.215 -3.264 1.00 0.00 C ATOM 888 O ALA A 63 -9.956 -9.532 -2.256 1.00 0.00 O ATOM 889 CB ALA A 63 -7.663 -10.548 -3.346 1.00 0.00 C ATOM 0 H ALA A 63 -8.487 -10.200 -5.725 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.145 -12.072 -3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.657 -10.604 -2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.868 -11.177 -3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.501 -9.516 -3.657 1.00 0.00 H new ATOM 895 N ARG A 64 -11.315 -10.289 -3.882 1.00 0.00 N ATOM 896 CA ARG A 64 -12.479 -9.555 -3.402 1.00 0.00 C ATOM 897 C ARG A 64 -13.029 -10.182 -2.124 1.00 0.00 C ATOM 898 O ARG A 64 -13.339 -9.482 -1.160 1.00 0.00 O ATOM 899 CB ARG A 64 -13.568 -9.523 -4.477 1.00 0.00 C ATOM 900 CG ARG A 64 -13.554 -8.260 -5.321 1.00 0.00 C ATOM 901 CD ARG A 64 -14.670 -7.308 -4.919 1.00 0.00 C ATOM 902 NE ARG A 64 -14.592 -6.039 -5.638 1.00 0.00 N ATOM 903 CZ ARG A 64 -14.953 -5.891 -6.908 1.00 0.00 C ATOM 904 NH1 ARG A 64 -15.413 -6.927 -7.595 1.00 0.00 N ATOM 905 NH2 ARG A 64 -14.853 -4.704 -7.492 1.00 0.00 N ATOM 0 H ARG A 64 -11.485 -10.850 -4.717 1.00 0.00 H new ATOM 0 HA ARG A 64 -12.167 -8.534 -3.180 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -13.447 -10.387 -5.130 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -14.542 -9.619 -3.998 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -12.591 -7.760 -5.213 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.660 -8.523 -6.373 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -15.634 -7.777 -5.114 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -14.618 -7.121 -3.846 1.00 0.00 H new ATOM 0 HE ARG A 64 -14.241 -5.222 -5.138 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -15.491 -7.841 -7.149 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -15.689 -6.810 -8.570 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -14.499 -3.905 -6.966 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -15.130 -4.590 -8.467 1.00 0.00 H new ATOM 919 N THR A 65 -13.147 -11.506 -2.124 1.00 0.00 N ATOM 920 CA THR A 65 -13.660 -12.227 -0.966 1.00 0.00 C ATOM 921 C THR A 65 -12.841 -13.484 -0.695 1.00 0.00 C ATOM 922 O THR A 65 -13.217 -14.581 -1.107 1.00 0.00 O ATOM 923 CB THR A 65 -15.136 -12.622 -1.160 1.00 0.00 C ATOM 924 OG1 THR A 65 -15.308 -13.271 -2.424 1.00 0.00 O ATOM 925 CG2 THR A 65 -16.037 -11.399 -1.084 1.00 0.00 C ATOM 0 H THR A 65 -12.894 -12.101 -2.913 1.00 0.00 H new ATOM 0 HA THR A 65 -13.581 -11.553 -0.113 1.00 0.00 H new ATOM 0 HB THR A 65 -15.414 -13.309 -0.360 1.00 0.00 H new ATOM 0 HG1 THR A 65 -14.669 -14.009 -2.502 1.00 0.00 H new ATOM 0 HG21 THR A 65 -17.075 -11.702 -1.224 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.926 -10.925 -0.109 1.00 0.00 H new ATOM 0 HG23 THR A 65 -15.757 -10.692 -1.865 1.00 0.00 H new ATOM 933 N GLU A 66 -11.721 -13.316 0.002 1.00 0.00 N ATOM 934 CA GLU A 66 -10.850 -14.439 0.328 1.00 0.00 C ATOM 935 C GLU A 66 -10.087 -14.177 1.624 1.00 0.00 C ATOM 936 O GLU A 66 -9.638 -13.060 1.877 1.00 0.00 O ATOM 937 CB GLU A 66 -9.864 -14.697 -0.813 1.00 0.00 C ATOM 938 CG GLU A 66 -10.195 -15.930 -1.637 1.00 0.00 C ATOM 939 CD GLU A 66 -10.068 -17.214 -0.841 1.00 0.00 C ATOM 940 OE1 GLU A 66 -9.017 -17.409 -0.194 1.00 0.00 O ATOM 941 OE2 GLU A 66 -11.018 -18.025 -0.865 1.00 0.00 O ATOM 0 H GLU A 66 -11.396 -12.414 0.351 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.474 -15.322 0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.845 -13.827 -1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.862 -14.806 -0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.212 -15.844 -2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.531 -15.975 -2.500 1.00 0.00 H new ATOM 948 N ASP A 67 -9.947 -15.216 2.441 1.00 0.00 N ATOM 949 CA ASP A 67 -9.239 -15.100 3.710 1.00 0.00 C ATOM 950 C ASP A 67 -9.085 -16.465 4.373 1.00 0.00 C ATOM 951 O ASP A 67 -7.970 -16.919 4.631 1.00 0.00 O ATOM 952 CB ASP A 67 -9.981 -14.145 4.647 1.00 0.00 C ATOM 953 CG ASP A 67 -9.232 -13.908 5.944 1.00 0.00 C ATOM 954 OD1 ASP A 67 -8.270 -13.111 5.936 1.00 0.00 O ATOM 955 OD2 ASP A 67 -9.607 -14.519 6.966 1.00 0.00 O ATOM 0 H ASP A 67 -10.315 -16.147 2.247 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.245 -14.700 3.508 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.136 -13.192 4.141 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.967 -14.552 4.870 1.00 0.00 H new ATOM 960 N SER A 68 -10.212 -17.114 4.648 1.00 0.00 N ATOM 961 CA SER A 68 -10.202 -18.425 5.286 1.00 0.00 C ATOM 962 C SER A 68 -11.617 -18.985 5.398 1.00 0.00 C ATOM 963 O SER A 68 -12.587 -18.335 5.009 1.00 0.00 O ATOM 964 CB SER A 68 -9.566 -18.336 6.674 1.00 0.00 C ATOM 965 OG SER A 68 -8.855 -19.522 6.987 1.00 0.00 O ATOM 0 H SER A 68 -11.143 -16.753 4.439 1.00 0.00 H new ATOM 0 HA SER A 68 -9.611 -19.099 4.666 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.890 -17.482 6.713 1.00 0.00 H new ATOM 0 HB3 SER A 68 -10.340 -18.164 7.422 1.00 0.00 H new ATOM 0 HG SER A 68 -8.457 -19.439 7.878 1.00 0.00 H new ATOM 971 N GLY A 69 -11.727 -20.198 5.932 1.00 0.00 N ATOM 972 CA GLY A 69 -13.026 -20.826 6.086 1.00 0.00 C ATOM 973 C GLY A 69 -13.459 -20.915 7.536 1.00 0.00 C ATOM 974 O GLY A 69 -13.226 -21.915 8.215 1.00 0.00 O ATOM 0 H GLY A 69 -10.939 -20.757 6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.768 -20.261 5.522 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.995 -21.828 5.657 1.00 0.00 H new ATOM 978 N PRO A 70 -14.104 -19.848 8.031 1.00 0.00 N ATOM 979 CA PRO A 70 -14.583 -19.785 9.415 1.00 0.00 C ATOM 980 C PRO A 70 -15.751 -20.732 9.668 1.00 0.00 C ATOM 981 O PRO A 70 -16.226 -21.405 8.753 1.00 0.00 O ATOM 982 CB PRO A 70 -15.031 -18.330 9.569 1.00 0.00 C ATOM 983 CG PRO A 70 -15.362 -17.887 8.186 1.00 0.00 C ATOM 984 CD PRO A 70 -14.415 -18.622 7.278 1.00 0.00 C ATOM 0 HA PRO A 70 -13.814 -20.086 10.127 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -15.896 -18.250 10.228 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -14.241 -17.716 10.003 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -16.398 -18.119 7.939 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -15.244 -16.808 8.083 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.874 -18.847 6.315 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -13.518 -18.037 7.074 1.00 0.00 H new ATOM 992 N SER A 71 -16.211 -20.778 10.914 1.00 0.00 N ATOM 993 CA SER A 71 -17.323 -21.645 11.287 1.00 0.00 C ATOM 994 C SER A 71 -18.213 -20.970 12.327 1.00 0.00 C ATOM 995 O SER A 71 -17.826 -19.975 12.939 1.00 0.00 O ATOM 996 CB SER A 71 -16.799 -22.974 11.834 1.00 0.00 C ATOM 997 OG SER A 71 -16.296 -23.791 10.791 1.00 0.00 O ATOM 0 H SER A 71 -15.831 -20.225 11.682 1.00 0.00 H new ATOM 0 HA SER A 71 -17.918 -21.836 10.394 1.00 0.00 H new ATOM 0 HB2 SER A 71 -16.012 -22.786 12.564 1.00 0.00 H new ATOM 0 HB3 SER A 71 -17.600 -23.497 12.356 1.00 0.00 H new ATOM 0 HG SER A 71 -15.965 -24.634 11.166 1.00 0.00 H new ATOM 1003 N SER A 72 -19.408 -21.519 12.520 1.00 0.00 N ATOM 1004 CA SER A 72 -20.355 -20.969 13.482 1.00 0.00 C ATOM 1005 C SER A 72 -21.402 -22.009 13.869 1.00 0.00 C ATOM 1006 O SER A 72 -22.045 -22.610 13.009 1.00 0.00 O ATOM 1007 CB SER A 72 -21.041 -19.730 12.903 1.00 0.00 C ATOM 1008 OG SER A 72 -21.680 -20.029 11.674 1.00 0.00 O ATOM 0 H SER A 72 -19.743 -22.344 12.023 1.00 0.00 H new ATOM 0 HA SER A 72 -19.802 -20.685 14.377 1.00 0.00 H new ATOM 0 HB2 SER A 72 -21.774 -19.350 13.615 1.00 0.00 H new ATOM 0 HB3 SER A 72 -20.305 -18.940 12.751 1.00 0.00 H new ATOM 0 HG SER A 72 -21.908 -20.982 11.647 1.00 0.00 H new ATOM 1014 N GLY A 73 -21.567 -22.217 15.172 1.00 0.00 N ATOM 1015 CA GLY A 73 -22.536 -23.185 15.652 1.00 0.00 C ATOM 1016 C GLY A 73 -23.965 -22.748 15.399 1.00 0.00 C ATOM 1017 O GLY A 73 -24.769 -23.562 14.948 1.00 0.00 O ATOM 0 H GLY A 73 -21.047 -21.732 15.904 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -22.360 -24.143 15.163 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -22.391 -23.341 16.721 1.00 0.00 H new TER 1021 GLY A 73 HETATM 1022 ZN ZN A 201 10.217 4.723 1.871 1.00 0.00 ZN HETATM 1023 ZN ZN A 401 -1.435 -6.045 -8.007 1.00 0.00 ZN