USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 639 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 23:sc= 0.3! 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 30:sc= 0.12 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0432 K(o=-0.043,f=-1.5!) USER MOD Single : A 23 SER OG : rot 180:sc=-0.00473 USER MOD Single : A 30 LYS NZ :NH3+ 152:sc= -0.0663 (180deg=-0.567) USER MOD Single : A 40 ASN : amide:sc= -1.52 K(o=-1.5,f=-2.2) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -3.56 X(o=-3.6,f=-3.6) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 180:sc= -0.119 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.311 X(o=-0.31,f=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 53:sc= 0.109 USER MOD Single : A 82 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.6!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 71:sc= 0.13 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.471 9.923 51.176 1.00 0.00 N ATOM 2 CA GLY A 1 14.807 11.154 50.791 1.00 0.00 C ATOM 3 C GLY A 1 14.652 11.284 49.289 1.00 0.00 C ATOM 4 O GLY A 1 15.619 11.131 48.543 1.00 0.00 O ATOM 0 H1 GLY A 1 15.553 9.882 52.212 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.917 9.110 50.840 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.420 9.894 50.753 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.824 11.195 51.259 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.376 12.004 51.169 1.00 0.00 H new ATOM 8 N SER A 2 13.432 11.567 48.844 1.00 0.00 N ATOM 9 CA SER A 2 13.152 11.712 47.420 1.00 0.00 C ATOM 10 C SER A 2 11.947 12.620 47.193 1.00 0.00 C ATOM 11 O SER A 2 10.873 12.394 47.749 1.00 0.00 O ATOM 12 CB SER A 2 12.900 10.343 46.786 1.00 0.00 C ATOM 13 OG SER A 2 11.609 9.859 47.113 1.00 0.00 O ATOM 0 H SER A 2 12.622 11.700 49.449 1.00 0.00 H new ATOM 0 HA SER A 2 14.023 12.168 46.948 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.001 10.416 45.703 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.655 9.635 47.129 1.00 0.00 H new ATOM 0 HG SER A 2 11.028 10.612 47.349 1.00 0.00 H new ATOM 19 N SER A 3 12.135 13.648 46.371 1.00 0.00 N ATOM 20 CA SER A 3 11.066 14.593 46.073 1.00 0.00 C ATOM 21 C SER A 3 11.429 15.462 44.872 1.00 0.00 C ATOM 22 O SER A 3 12.568 15.906 44.734 1.00 0.00 O ATOM 23 CB SER A 3 10.783 15.477 47.289 1.00 0.00 C ATOM 24 OG SER A 3 10.474 16.802 46.896 1.00 0.00 O ATOM 0 H SER A 3 13.018 13.847 45.900 1.00 0.00 H new ATOM 0 HA SER A 3 10.169 14.024 45.831 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.953 15.061 47.860 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.651 15.483 47.948 1.00 0.00 H new ATOM 0 HG SER A 3 10.296 17.346 47.691 1.00 0.00 H new ATOM 30 N GLY A 4 10.450 15.701 44.005 1.00 0.00 N ATOM 31 CA GLY A 4 10.685 16.515 42.827 1.00 0.00 C ATOM 32 C GLY A 4 9.537 16.449 41.838 1.00 0.00 C ATOM 33 O GLY A 4 8.642 15.615 41.971 1.00 0.00 O ATOM 0 H GLY A 4 9.498 15.345 44.097 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.841 17.550 43.130 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.601 16.185 42.338 1.00 0.00 H new ATOM 37 N SER A 5 9.562 17.333 40.845 1.00 0.00 N ATOM 38 CA SER A 5 8.513 17.375 39.834 1.00 0.00 C ATOM 39 C SER A 5 8.907 18.293 38.681 1.00 0.00 C ATOM 40 O SER A 5 9.633 19.269 38.870 1.00 0.00 O ATOM 41 CB SER A 5 7.197 17.851 40.452 1.00 0.00 C ATOM 42 OG SER A 5 7.282 19.209 40.848 1.00 0.00 O ATOM 0 H SER A 5 10.297 18.029 40.720 1.00 0.00 H new ATOM 0 HA SER A 5 8.379 16.366 39.444 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.388 17.729 39.732 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.952 17.232 41.315 1.00 0.00 H new ATOM 0 HG SER A 5 6.428 19.490 41.238 1.00 0.00 H new ATOM 48 N SER A 6 8.423 17.972 37.485 1.00 0.00 N ATOM 49 CA SER A 6 8.728 18.764 36.299 1.00 0.00 C ATOM 50 C SER A 6 7.582 18.699 35.293 1.00 0.00 C ATOM 51 O SER A 6 6.636 17.931 35.463 1.00 0.00 O ATOM 52 CB SER A 6 10.022 18.272 35.648 1.00 0.00 C ATOM 53 OG SER A 6 11.149 18.944 36.182 1.00 0.00 O ATOM 0 H SER A 6 7.818 17.169 37.312 1.00 0.00 H new ATOM 0 HA SER A 6 8.858 19.801 36.609 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.127 17.198 35.805 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.975 18.433 34.571 1.00 0.00 H new ATOM 0 HG SER A 6 10.966 19.203 37.109 1.00 0.00 H new ATOM 59 N GLY A 7 7.676 19.511 34.245 1.00 0.00 N ATOM 60 CA GLY A 7 6.642 19.531 33.227 1.00 0.00 C ATOM 61 C GLY A 7 7.115 20.163 31.933 1.00 0.00 C ATOM 62 O GLY A 7 7.638 21.278 31.933 1.00 0.00 O ATOM 0 H GLY A 7 8.450 20.155 34.083 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.311 18.511 33.030 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.778 20.080 33.602 1.00 0.00 H new ATOM 66 N HIS A 8 6.932 19.450 30.826 1.00 0.00 N ATOM 67 CA HIS A 8 7.345 19.948 29.519 1.00 0.00 C ATOM 68 C HIS A 8 6.926 18.985 28.413 1.00 0.00 C ATOM 69 O HIS A 8 7.648 18.041 28.092 1.00 0.00 O ATOM 70 CB HIS A 8 8.859 20.156 29.483 1.00 0.00 C ATOM 71 CG HIS A 8 9.285 21.319 28.642 1.00 0.00 C ATOM 72 ND1 HIS A 8 9.225 22.626 29.078 1.00 0.00 N ATOM 73 CD2 HIS A 8 9.782 21.367 27.383 1.00 0.00 C ATOM 74 CE1 HIS A 8 9.664 23.427 28.124 1.00 0.00 C ATOM 75 NE2 HIS A 8 10.009 22.688 27.085 1.00 0.00 N ATOM 0 H HIS A 8 6.501 18.526 30.808 1.00 0.00 H new ATOM 0 HA HIS A 8 6.851 20.905 29.350 1.00 0.00 H new ATOM 0 HB2 HIS A 8 9.221 20.302 30.501 1.00 0.00 H new ATOM 0 HB3 HIS A 8 9.333 19.251 29.103 1.00 0.00 H new ATOM 0 HD2 HIS A 8 9.966 20.523 26.734 1.00 0.00 H new ATOM 0 HE1 HIS A 8 9.730 24.503 28.183 1.00 0.00 H new ATOM 0 HE2 HIS A 8 10.383 23.041 26.204 1.00 0.00 H new ATOM 83 N SER A 9 5.754 19.229 27.834 1.00 0.00 N ATOM 84 CA SER A 9 5.236 18.380 26.768 1.00 0.00 C ATOM 85 C SER A 9 5.044 19.179 25.482 1.00 0.00 C ATOM 86 O SER A 9 4.740 20.371 25.519 1.00 0.00 O ATOM 87 CB SER A 9 3.910 17.746 27.190 1.00 0.00 C ATOM 88 OG SER A 9 4.079 16.376 27.513 1.00 0.00 O ATOM 0 H SER A 9 5.146 20.008 28.086 1.00 0.00 H new ATOM 0 HA SER A 9 5.964 17.591 26.580 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.506 18.279 28.051 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.183 17.846 26.384 1.00 0.00 H new ATOM 0 HG SER A 9 3.217 15.994 27.781 1.00 0.00 H new ATOM 94 N SER A 10 5.225 18.513 24.346 1.00 0.00 N ATOM 95 CA SER A 10 5.075 19.161 23.048 1.00 0.00 C ATOM 96 C SER A 10 4.489 18.195 22.023 1.00 0.00 C ATOM 97 O SER A 10 4.391 16.994 22.272 1.00 0.00 O ATOM 98 CB SER A 10 6.427 19.685 22.558 1.00 0.00 C ATOM 99 OG SER A 10 6.468 21.101 22.593 1.00 0.00 O ATOM 0 H SER A 10 5.476 17.525 24.298 1.00 0.00 H new ATOM 0 HA SER A 10 4.388 19.999 23.164 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.225 19.279 23.180 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.608 19.338 21.541 1.00 0.00 H new ATOM 0 HG SER A 10 7.342 21.411 22.277 1.00 0.00 H new ATOM 105 N ALA A 11 4.101 18.730 20.870 1.00 0.00 N ATOM 106 CA ALA A 11 3.526 17.916 19.806 1.00 0.00 C ATOM 107 C ALA A 11 4.560 17.614 18.726 1.00 0.00 C ATOM 108 O ALA A 11 4.780 16.456 18.372 1.00 0.00 O ATOM 109 CB ALA A 11 2.318 18.615 19.201 1.00 0.00 C ATOM 0 H ALA A 11 4.174 19.723 20.649 1.00 0.00 H new ATOM 0 HA ALA A 11 3.205 16.969 20.240 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.899 17.996 18.408 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.565 18.774 19.973 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.623 19.576 18.788 1.00 0.00 H new ATOM 115 N GLN A 12 5.191 18.663 18.208 1.00 0.00 N ATOM 116 CA GLN A 12 6.201 18.508 17.167 1.00 0.00 C ATOM 117 C GLN A 12 5.629 17.775 15.958 1.00 0.00 C ATOM 118 O GLN A 12 4.426 17.526 15.883 1.00 0.00 O ATOM 119 CB GLN A 12 7.413 17.750 17.712 1.00 0.00 C ATOM 120 CG GLN A 12 8.739 18.430 17.415 1.00 0.00 C ATOM 121 CD GLN A 12 9.931 17.591 17.832 1.00 0.00 C ATOM 122 OE1 GLN A 12 10.735 17.175 16.997 1.00 0.00 O ATOM 123 NE2 GLN A 12 10.052 17.339 19.130 1.00 0.00 N ATOM 0 H GLN A 12 5.021 19.628 18.491 1.00 0.00 H new ATOM 0 HA GLN A 12 6.516 19.502 16.850 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.306 17.637 18.791 1.00 0.00 H new ATOM 0 HB3 GLN A 12 7.425 16.747 17.286 1.00 0.00 H new ATOM 0 HG2 GLN A 12 8.804 18.641 16.348 1.00 0.00 H new ATOM 0 HG3 GLN A 12 8.775 19.389 17.932 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.362 17.704 19.787 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.835 16.781 19.470 1.00 0.00 H new ATOM 132 N PHE A 13 6.499 17.433 15.014 1.00 0.00 N ATOM 133 CA PHE A 13 6.080 16.730 13.807 1.00 0.00 C ATOM 134 C PHE A 13 7.268 16.048 13.135 1.00 0.00 C ATOM 135 O PHE A 13 8.404 16.510 13.241 1.00 0.00 O ATOM 136 CB PHE A 13 5.417 17.702 12.829 1.00 0.00 C ATOM 137 CG PHE A 13 6.248 18.918 12.535 1.00 0.00 C ATOM 138 CD1 PHE A 13 7.206 18.893 11.534 1.00 0.00 C ATOM 139 CD2 PHE A 13 6.073 20.086 13.260 1.00 0.00 C ATOM 140 CE1 PHE A 13 7.973 20.010 11.261 1.00 0.00 C ATOM 141 CE2 PHE A 13 6.836 21.206 12.991 1.00 0.00 C ATOM 142 CZ PHE A 13 7.788 21.168 11.991 1.00 0.00 C ATOM 0 H PHE A 13 7.498 17.631 15.061 1.00 0.00 H new ATOM 0 HA PHE A 13 5.358 15.965 14.094 1.00 0.00 H new ATOM 0 HB2 PHE A 13 5.209 17.180 11.895 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.457 18.018 13.238 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.355 17.990 10.960 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.332 20.121 14.044 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.716 19.977 10.478 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.688 22.111 13.562 1.00 0.00 H new ATOM 0 HZ PHE A 13 8.387 22.042 11.780 1.00 0.00 H new ATOM 152 N ILE A 14 6.997 14.945 12.445 1.00 0.00 N ATOM 153 CA ILE A 14 8.042 14.199 11.756 1.00 0.00 C ATOM 154 C ILE A 14 8.170 14.645 10.304 1.00 0.00 C ATOM 155 O ILE A 14 7.306 14.355 9.476 1.00 0.00 O ATOM 156 CB ILE A 14 7.770 12.683 11.794 1.00 0.00 C ATOM 157 CG1 ILE A 14 7.535 12.221 13.233 1.00 0.00 C ATOM 158 CG2 ILE A 14 8.929 11.921 11.169 1.00 0.00 C ATOM 159 CD1 ILE A 14 6.106 11.807 13.509 1.00 0.00 C ATOM 0 H ILE A 14 6.062 14.548 12.349 1.00 0.00 H new ATOM 0 HA ILE A 14 8.975 14.406 12.280 1.00 0.00 H new ATOM 0 HB ILE A 14 6.870 12.475 11.215 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.196 11.382 13.449 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.809 13.027 13.914 1.00 0.00 H new ATOM 0 HG21 ILE A 14 8.722 10.851 11.203 1.00 0.00 H new ATOM 0 HG22 ILE A 14 9.053 12.233 10.132 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.844 12.131 11.723 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.013 11.491 14.548 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.441 12.651 13.325 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.834 10.980 12.853 1.00 0.00 H new ATOM 171 N ASP A 15 9.254 15.351 10.001 1.00 0.00 N ATOM 172 CA ASP A 15 9.497 15.836 8.648 1.00 0.00 C ATOM 173 C ASP A 15 10.668 15.096 8.008 1.00 0.00 C ATOM 174 O ASP A 15 11.435 15.675 7.239 1.00 0.00 O ATOM 175 CB ASP A 15 9.776 17.340 8.664 1.00 0.00 C ATOM 176 CG ASP A 15 9.043 18.076 7.560 1.00 0.00 C ATOM 177 OD1 ASP A 15 9.399 17.882 6.379 1.00 0.00 O ATOM 178 OD2 ASP A 15 8.113 18.848 7.877 1.00 0.00 O ATOM 0 H ASP A 15 9.978 15.600 10.675 1.00 0.00 H new ATOM 0 HA ASP A 15 8.602 15.647 8.055 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.481 17.751 9.629 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.848 17.509 8.560 1.00 0.00 H new ATOM 183 N SER A 16 10.799 13.814 8.332 1.00 0.00 N ATOM 184 CA SER A 16 11.879 12.996 7.793 1.00 0.00 C ATOM 185 C SER A 16 11.364 11.621 7.378 1.00 0.00 C ATOM 186 O SER A 16 10.170 11.339 7.473 1.00 0.00 O ATOM 187 CB SER A 16 12.997 12.844 8.827 1.00 0.00 C ATOM 188 OG SER A 16 13.339 14.095 9.396 1.00 0.00 O ATOM 0 H SER A 16 10.171 13.319 8.965 1.00 0.00 H new ATOM 0 HA SER A 16 12.276 13.498 6.910 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.679 12.158 9.613 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.875 12.403 8.355 1.00 0.00 H new ATOM 0 HG SER A 16 14.054 13.970 10.054 1.00 0.00 H new ATOM 194 N TYR A 17 12.274 10.770 6.918 1.00 0.00 N ATOM 195 CA TYR A 17 11.913 9.425 6.486 1.00 0.00 C ATOM 196 C TYR A 17 12.806 8.381 7.150 1.00 0.00 C ATOM 197 O TYR A 17 14.009 8.324 6.894 1.00 0.00 O ATOM 198 CB TYR A 17 12.020 9.310 4.964 1.00 0.00 C ATOM 199 CG TYR A 17 11.398 10.472 4.224 1.00 0.00 C ATOM 200 CD1 TYR A 17 10.049 10.772 4.369 1.00 0.00 C ATOM 201 CD2 TYR A 17 12.160 11.270 3.379 1.00 0.00 C ATOM 202 CE1 TYR A 17 9.477 11.833 3.694 1.00 0.00 C ATOM 203 CE2 TYR A 17 11.596 12.334 2.701 1.00 0.00 C ATOM 204 CZ TYR A 17 10.254 12.611 2.862 1.00 0.00 C ATOM 205 OH TYR A 17 9.688 13.669 2.188 1.00 0.00 O ATOM 0 H TYR A 17 13.267 10.988 6.835 1.00 0.00 H new ATOM 0 HA TYR A 17 10.882 9.239 6.787 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.071 9.235 4.687 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.539 8.386 4.643 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.437 10.165 5.020 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.211 11.055 3.250 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.427 12.052 3.817 1.00 0.00 H new ATOM 0 HE2 TYR A 17 12.202 12.945 2.049 1.00 0.00 H new ATOM 0 HH TYR A 17 10.372 14.115 1.646 1.00 0.00 H new ATOM 215 N ILE A 18 12.208 7.557 8.003 1.00 0.00 N ATOM 216 CA ILE A 18 12.947 6.514 8.703 1.00 0.00 C ATOM 217 C ILE A 18 12.454 5.127 8.302 1.00 0.00 C ATOM 218 O ILE A 18 11.251 4.863 8.292 1.00 0.00 O ATOM 219 CB ILE A 18 12.827 6.667 10.231 1.00 0.00 C ATOM 220 CG1 ILE A 18 13.114 8.112 10.644 1.00 0.00 C ATOM 221 CG2 ILE A 18 13.778 5.710 10.935 1.00 0.00 C ATOM 222 CD1 ILE A 18 14.489 8.596 10.237 1.00 0.00 C ATOM 0 H ILE A 18 11.213 7.591 8.226 1.00 0.00 H new ATOM 0 HA ILE A 18 13.993 6.622 8.416 1.00 0.00 H new ATOM 0 HB ILE A 18 11.808 6.419 10.528 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.362 8.764 10.200 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.013 8.199 11.726 1.00 0.00 H new ATOM 0 HG21 ILE A 18 13.682 5.830 12.014 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.532 4.684 10.660 1.00 0.00 H new ATOM 0 HG23 ILE A 18 14.803 5.929 10.636 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.623 9.628 10.562 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.248 7.968 10.702 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.588 8.542 9.153 1.00 0.00 H new ATOM 234 N CYS A 19 13.390 4.244 7.974 1.00 0.00 N ATOM 235 CA CYS A 19 13.053 2.883 7.574 1.00 0.00 C ATOM 236 C CYS A 19 12.194 2.202 8.635 1.00 0.00 C ATOM 237 O CYS A 19 12.256 2.548 9.815 1.00 0.00 O ATOM 238 CB CYS A 19 14.326 2.070 7.333 1.00 0.00 C ATOM 239 SG CYS A 19 14.044 0.482 6.486 1.00 0.00 S ATOM 0 H CYS A 19 14.390 4.447 7.977 1.00 0.00 H new ATOM 0 HA CYS A 19 12.482 2.934 6.647 1.00 0.00 H new ATOM 0 HB2 CYS A 19 15.019 2.667 6.741 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.809 1.878 8.291 1.00 0.00 H new ATOM 244 N GLN A 20 11.393 1.232 8.207 1.00 0.00 N ATOM 245 CA GLN A 20 10.521 0.502 9.120 1.00 0.00 C ATOM 246 C GLN A 20 11.037 -0.914 9.350 1.00 0.00 C ATOM 247 O GLN A 20 10.279 -1.809 9.724 1.00 0.00 O ATOM 248 CB GLN A 20 9.095 0.454 8.568 1.00 0.00 C ATOM 249 CG GLN A 20 8.254 1.662 8.949 1.00 0.00 C ATOM 250 CD GLN A 20 7.794 1.621 10.393 1.00 0.00 C ATOM 251 OE1 GLN A 20 7.919 0.598 11.067 1.00 0.00 O ATOM 252 NE2 GLN A 20 7.259 2.736 10.877 1.00 0.00 N ATOM 0 H GLN A 20 11.330 0.933 7.234 1.00 0.00 H new ATOM 0 HA GLN A 20 10.516 1.027 10.075 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.137 0.379 7.481 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.604 -0.449 8.931 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.833 2.570 8.782 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.383 1.714 8.296 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.175 3.561 10.283 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.932 2.767 11.843 1.00 0.00 H new ATOM 261 N VAL A 21 12.332 -1.111 9.125 1.00 0.00 N ATOM 262 CA VAL A 21 12.950 -2.418 9.309 1.00 0.00 C ATOM 263 C VAL A 21 14.242 -2.307 10.113 1.00 0.00 C ATOM 264 O VAL A 21 14.508 -3.123 10.996 1.00 0.00 O ATOM 265 CB VAL A 21 13.256 -3.090 7.958 1.00 0.00 C ATOM 266 CG1 VAL A 21 13.929 -4.437 8.171 1.00 0.00 C ATOM 267 CG2 VAL A 21 11.982 -3.244 7.140 1.00 0.00 C ATOM 0 H VAL A 21 12.974 -0.381 8.815 1.00 0.00 H new ATOM 0 HA VAL A 21 12.235 -3.031 9.858 1.00 0.00 H new ATOM 0 HB VAL A 21 13.943 -2.452 7.402 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.137 -4.896 7.205 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.863 -4.295 8.714 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.269 -5.086 8.747 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.216 -3.721 6.188 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.270 -3.860 7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.547 -2.262 6.956 1.00 0.00 H new ATOM 277 N CYS A 22 15.041 -1.292 9.801 1.00 0.00 N ATOM 278 CA CYS A 22 16.305 -1.073 10.493 1.00 0.00 C ATOM 279 C CYS A 22 16.281 0.243 11.265 1.00 0.00 C ATOM 280 O CYS A 22 17.108 0.471 12.148 1.00 0.00 O ATOM 281 CB CYS A 22 17.463 -1.070 9.494 1.00 0.00 C ATOM 282 SG CYS A 22 17.385 0.276 8.269 1.00 0.00 S ATOM 0 H CYS A 22 14.835 -0.608 9.073 1.00 0.00 H new ATOM 0 HA CYS A 22 16.448 -1.888 11.203 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.402 -0.994 10.043 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.478 -2.025 8.968 1.00 0.00 H new ATOM 287 N SER A 23 15.328 1.105 10.926 1.00 0.00 N ATOM 288 CA SER A 23 15.198 2.399 11.584 1.00 0.00 C ATOM 289 C SER A 23 16.426 3.267 11.324 1.00 0.00 C ATOM 290 O SER A 23 17.157 3.621 12.249 1.00 0.00 O ATOM 291 CB SER A 23 15.002 2.212 13.090 1.00 0.00 C ATOM 292 OG SER A 23 14.195 1.080 13.362 1.00 0.00 O ATOM 0 H SER A 23 14.634 0.930 10.199 1.00 0.00 H new ATOM 0 HA SER A 23 14.324 2.903 11.170 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.972 2.096 13.575 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.538 3.103 13.513 1.00 0.00 H new ATOM 0 HG SER A 23 14.086 0.981 14.331 1.00 0.00 H new ATOM 298 N ARG A 24 16.645 3.605 10.057 1.00 0.00 N ATOM 299 CA ARG A 24 17.785 4.430 9.673 1.00 0.00 C ATOM 300 C ARG A 24 17.327 5.661 8.896 1.00 0.00 C ATOM 301 O ARG A 24 16.143 5.817 8.601 1.00 0.00 O ATOM 302 CB ARG A 24 18.768 3.617 8.829 1.00 0.00 C ATOM 303 CG ARG A 24 19.737 2.786 9.655 1.00 0.00 C ATOM 304 CD ARG A 24 20.676 3.666 10.465 1.00 0.00 C ATOM 305 NE ARG A 24 21.710 2.886 11.140 1.00 0.00 N ATOM 306 CZ ARG A 24 22.452 3.357 12.136 1.00 0.00 C ATOM 307 NH1 ARG A 24 22.276 4.597 12.570 1.00 0.00 N ATOM 308 NH2 ARG A 24 23.374 2.587 12.700 1.00 0.00 N ATOM 0 H ARG A 24 16.049 3.321 9.280 1.00 0.00 H new ATOM 0 HA ARG A 24 18.286 4.761 10.583 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.207 2.956 8.169 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.336 4.296 8.193 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.178 2.134 10.326 1.00 0.00 H new ATOM 0 HG3 ARG A 24 20.319 2.142 8.996 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.145 4.398 9.807 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.102 4.224 11.205 1.00 0.00 H new ATOM 0 HE ARG A 24 21.871 1.928 10.830 1.00 0.00 H new ATOM 0 HH11 ARG A 24 21.569 5.193 12.139 1.00 0.00 H new ATOM 0 HH12 ARG A 24 22.847 4.956 13.335 1.00 0.00 H new ATOM 0 HH21 ARG A 24 23.513 1.632 12.369 1.00 0.00 H new ATOM 0 HH22 ARG A 24 23.943 2.950 13.465 1.00 0.00 H new ATOM 322 N GLY A 25 18.276 6.534 8.569 1.00 0.00 N ATOM 323 CA GLY A 25 17.950 7.740 7.830 1.00 0.00 C ATOM 324 C GLY A 25 18.949 8.032 6.728 1.00 0.00 C ATOM 325 O GLY A 25 18.575 8.483 5.645 1.00 0.00 O ATOM 0 H GLY A 25 19.263 6.428 8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.955 7.639 7.397 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.914 8.585 8.517 1.00 0.00 H new ATOM 329 N ASP A 26 20.223 7.777 7.004 1.00 0.00 N ATOM 330 CA ASP A 26 21.280 8.016 6.027 1.00 0.00 C ATOM 331 C ASP A 26 21.042 7.201 4.760 1.00 0.00 C ATOM 332 O ASP A 26 21.549 7.538 3.691 1.00 0.00 O ATOM 333 CB ASP A 26 22.644 7.668 6.625 1.00 0.00 C ATOM 334 CG ASP A 26 23.709 8.686 6.268 1.00 0.00 C ATOM 335 OD1 ASP A 26 23.691 9.792 6.849 1.00 0.00 O ATOM 336 OD2 ASP A 26 24.561 8.377 5.409 1.00 0.00 O ATOM 0 H ASP A 26 20.549 7.405 7.896 1.00 0.00 H new ATOM 0 HA ASP A 26 21.267 9.074 5.764 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.556 7.603 7.710 1.00 0.00 H new ATOM 0 HB3 ASP A 26 22.952 6.684 6.271 1.00 0.00 H new ATOM 341 N GLU A 27 20.270 6.127 4.889 1.00 0.00 N ATOM 342 CA GLU A 27 19.968 5.263 3.753 1.00 0.00 C ATOM 343 C GLU A 27 18.778 5.800 2.962 1.00 0.00 C ATOM 344 O GLU A 27 18.370 5.214 1.960 1.00 0.00 O ATOM 345 CB GLU A 27 19.675 3.839 4.231 1.00 0.00 C ATOM 346 CG GLU A 27 20.924 3.007 4.465 1.00 0.00 C ATOM 347 CD GLU A 27 21.728 2.791 3.197 1.00 0.00 C ATOM 348 OE1 GLU A 27 21.241 3.179 2.114 1.00 0.00 O ATOM 349 OE2 GLU A 27 22.842 2.235 3.287 1.00 0.00 O ATOM 0 H GLU A 27 19.842 5.834 5.768 1.00 0.00 H new ATOM 0 HA GLU A 27 20.840 5.248 3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.101 3.886 5.157 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.048 3.339 3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.550 3.500 5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.639 2.040 4.879 1.00 0.00 H new ATOM 356 N ASP A 28 18.227 6.919 3.421 1.00 0.00 N ATOM 357 CA ASP A 28 17.085 7.536 2.757 1.00 0.00 C ATOM 358 C ASP A 28 17.348 7.699 1.263 1.00 0.00 C ATOM 359 O ASP A 28 16.418 7.704 0.456 1.00 0.00 O ATOM 360 CB ASP A 28 16.778 8.897 3.385 1.00 0.00 C ATOM 361 CG ASP A 28 17.889 9.903 3.158 1.00 0.00 C ATOM 362 OD1 ASP A 28 19.070 9.530 3.319 1.00 0.00 O ATOM 363 OD2 ASP A 28 17.578 11.064 2.819 1.00 0.00 O ATOM 0 H ASP A 28 18.553 7.417 4.250 1.00 0.00 H new ATOM 0 HA ASP A 28 16.223 6.882 2.886 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.849 9.285 2.967 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.618 8.772 4.456 1.00 0.00 H new ATOM 368 N ASP A 29 18.619 7.833 0.902 1.00 0.00 N ATOM 369 CA ASP A 29 19.004 7.996 -0.495 1.00 0.00 C ATOM 370 C ASP A 29 18.377 6.909 -1.362 1.00 0.00 C ATOM 371 O ASP A 29 18.113 7.119 -2.546 1.00 0.00 O ATOM 372 CB ASP A 29 20.527 7.960 -0.633 1.00 0.00 C ATOM 373 CG ASP A 29 21.138 9.347 -0.669 1.00 0.00 C ATOM 374 OD1 ASP A 29 21.061 10.002 -1.730 1.00 0.00 O ATOM 375 OD2 ASP A 29 21.692 9.778 0.363 1.00 0.00 O ATOM 0 H ASP A 29 19.401 7.832 1.557 1.00 0.00 H new ATOM 0 HA ASP A 29 18.638 8.964 -0.837 1.00 0.00 H new ATOM 0 HB2 ASP A 29 20.951 7.401 0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.794 7.425 -1.544 1.00 0.00 H new ATOM 380 N LYS A 30 18.140 5.746 -0.765 1.00 0.00 N ATOM 381 CA LYS A 30 17.543 4.625 -1.481 1.00 0.00 C ATOM 382 C LYS A 30 16.281 4.138 -0.776 1.00 0.00 C ATOM 383 O LYS A 30 15.964 2.948 -0.799 1.00 0.00 O ATOM 384 CB LYS A 30 18.548 3.476 -1.601 1.00 0.00 C ATOM 385 CG LYS A 30 19.589 3.691 -2.686 1.00 0.00 C ATOM 386 CD LYS A 30 20.571 2.533 -2.753 1.00 0.00 C ATOM 387 CE LYS A 30 20.761 2.045 -4.181 1.00 0.00 C ATOM 388 NZ LYS A 30 21.088 3.162 -5.110 1.00 0.00 N ATOM 0 H LYS A 30 18.353 5.555 0.214 1.00 0.00 H new ATOM 0 HA LYS A 30 17.271 4.968 -2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.054 3.345 -0.644 1.00 0.00 H new ATOM 0 HB3 LYS A 30 18.008 2.551 -1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.093 3.805 -3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.130 4.618 -2.494 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.532 2.845 -2.343 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.211 1.713 -2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.560 1.304 -4.208 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.852 1.546 -4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.653 2.799 -5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.208 3.580 -5.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 21.632 3.888 -4.602 1.00 0.00 H new ATOM 402 N LEU A 31 15.564 5.065 -0.151 1.00 0.00 N ATOM 403 CA LEU A 31 14.334 4.731 0.560 1.00 0.00 C ATOM 404 C LEU A 31 13.139 4.738 -0.387 1.00 0.00 C ATOM 405 O LEU A 31 13.059 5.564 -1.297 1.00 0.00 O ATOM 406 CB LEU A 31 14.099 5.718 1.705 1.00 0.00 C ATOM 407 CG LEU A 31 14.305 5.170 3.117 1.00 0.00 C ATOM 408 CD1 LEU A 31 14.054 6.255 4.153 1.00 0.00 C ATOM 409 CD2 LEU A 31 13.395 3.975 3.363 1.00 0.00 C ATOM 0 H LEU A 31 15.813 6.054 -0.122 1.00 0.00 H new ATOM 0 HA LEU A 31 14.442 3.727 0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.766 6.569 1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.079 6.096 1.629 1.00 0.00 H new ATOM 0 HG LEU A 31 15.340 4.840 3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.205 5.846 5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.746 7.081 3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.030 6.617 4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.555 3.598 4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.355 4.281 3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.623 3.190 2.642 1.00 0.00 H new ATOM 421 N LEU A 32 12.210 3.815 -0.165 1.00 0.00 N ATOM 422 CA LEU A 32 11.016 3.715 -0.997 1.00 0.00 C ATOM 423 C LEU A 32 9.799 4.283 -0.273 1.00 0.00 C ATOM 424 O LEU A 32 9.715 4.234 0.954 1.00 0.00 O ATOM 425 CB LEU A 32 10.759 2.258 -1.384 1.00 0.00 C ATOM 426 CG LEU A 32 11.564 1.727 -2.571 1.00 0.00 C ATOM 427 CD1 LEU A 32 13.000 1.445 -2.159 1.00 0.00 C ATOM 428 CD2 LEU A 32 10.913 0.473 -3.138 1.00 0.00 C ATOM 0 H LEU A 32 12.260 3.125 0.584 1.00 0.00 H new ATOM 0 HA LEU A 32 11.184 4.300 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.969 1.630 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.699 2.145 -1.610 1.00 0.00 H new ATOM 0 HG LEU A 32 11.575 2.490 -3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.557 1.068 -3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.463 2.365 -1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.011 0.700 -1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.499 0.109 -3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.871 -0.296 -2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.902 0.707 -3.472 1.00 0.00 H new ATOM 440 N PHE A 33 8.856 4.819 -1.041 1.00 0.00 N ATOM 441 CA PHE A 33 7.643 5.395 -0.474 1.00 0.00 C ATOM 442 C PHE A 33 6.416 4.583 -0.876 1.00 0.00 C ATOM 443 O PHE A 33 6.230 4.257 -2.049 1.00 0.00 O ATOM 444 CB PHE A 33 7.480 6.847 -0.930 1.00 0.00 C ATOM 445 CG PHE A 33 8.736 7.660 -0.800 1.00 0.00 C ATOM 446 CD1 PHE A 33 9.280 7.925 0.447 1.00 0.00 C ATOM 447 CD2 PHE A 33 9.373 8.160 -1.924 1.00 0.00 C ATOM 448 CE1 PHE A 33 10.434 8.674 0.569 1.00 0.00 C ATOM 449 CE2 PHE A 33 10.529 8.909 -1.808 1.00 0.00 C ATOM 450 CZ PHE A 33 11.060 9.166 -0.559 1.00 0.00 C ATOM 0 H PHE A 33 8.909 4.866 -2.059 1.00 0.00 H new ATOM 0 HA PHE A 33 7.733 5.371 0.612 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.155 6.859 -1.970 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.690 7.317 -0.344 1.00 0.00 H new ATOM 0 HD1 PHE A 33 8.796 7.542 1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.961 7.962 -2.903 1.00 0.00 H new ATOM 0 HE1 PHE A 33 10.847 8.875 1.547 1.00 0.00 H new ATOM 0 HE2 PHE A 33 11.016 9.293 -2.692 1.00 0.00 H new ATOM 0 HZ PHE A 33 11.963 9.751 -0.465 1.00 0.00 H new ATOM 460 N CYS A 34 5.580 4.259 0.105 1.00 0.00 N ATOM 461 CA CYS A 34 4.371 3.484 -0.144 1.00 0.00 C ATOM 462 C CYS A 34 3.207 4.398 -0.518 1.00 0.00 C ATOM 463 O CYS A 34 3.023 5.460 0.076 1.00 0.00 O ATOM 464 CB CYS A 34 4.007 2.656 1.090 1.00 0.00 C ATOM 465 SG CYS A 34 2.378 1.847 0.989 1.00 0.00 S ATOM 0 H CYS A 34 5.718 4.522 1.081 1.00 0.00 H new ATOM 0 HA CYS A 34 4.566 2.812 -0.980 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.771 1.893 1.241 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.026 3.303 1.967 1.00 0.00 H new ATOM 470 N ASP A 35 2.425 3.976 -1.505 1.00 0.00 N ATOM 471 CA ASP A 35 1.278 4.754 -1.958 1.00 0.00 C ATOM 472 C ASP A 35 0.016 4.352 -1.201 1.00 0.00 C ATOM 473 O ASP A 35 -1.041 4.150 -1.799 1.00 0.00 O ATOM 474 CB ASP A 35 1.068 4.566 -3.461 1.00 0.00 C ATOM 475 CG ASP A 35 0.005 5.492 -4.018 1.00 0.00 C ATOM 476 OD1 ASP A 35 0.302 6.690 -4.206 1.00 0.00 O ATOM 477 OD2 ASP A 35 -1.125 5.020 -4.263 1.00 0.00 O ATOM 0 H ASP A 35 2.564 3.099 -2.007 1.00 0.00 H new ATOM 0 HA ASP A 35 1.481 5.806 -1.757 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.009 4.744 -3.981 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.785 3.532 -3.659 1.00 0.00 H new ATOM 482 N GLY A 36 0.133 4.238 0.118 1.00 0.00 N ATOM 483 CA GLY A 36 -1.005 3.859 0.935 1.00 0.00 C ATOM 484 C GLY A 36 -0.849 4.285 2.381 1.00 0.00 C ATOM 485 O GLY A 36 -1.811 4.718 3.016 1.00 0.00 O ATOM 0 H GLY A 36 0.996 4.401 0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.909 4.307 0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.136 2.778 0.890 1.00 0.00 H new ATOM 489 N CYS A 37 0.367 4.162 2.904 1.00 0.00 N ATOM 490 CA CYS A 37 0.646 4.535 4.286 1.00 0.00 C ATOM 491 C CYS A 37 1.803 5.528 4.357 1.00 0.00 C ATOM 492 O CYS A 37 2.166 5.997 5.436 1.00 0.00 O ATOM 493 CB CYS A 37 0.975 3.292 5.115 1.00 0.00 C ATOM 494 SG CYS A 37 2.487 2.424 4.588 1.00 0.00 S ATOM 0 H CYS A 37 1.174 3.807 2.392 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.245 5.011 4.695 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.082 3.583 6.160 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.135 2.600 5.061 1.00 0.00 H new ATOM 499 N ASP A 38 2.377 5.843 3.201 1.00 0.00 N ATOM 500 CA ASP A 38 3.491 6.781 3.132 1.00 0.00 C ATOM 501 C ASP A 38 4.594 6.389 4.110 1.00 0.00 C ATOM 502 O ASP A 38 4.991 7.182 4.963 1.00 0.00 O ATOM 503 CB ASP A 38 3.009 8.202 3.430 1.00 0.00 C ATOM 504 CG ASP A 38 4.043 9.251 3.074 1.00 0.00 C ATOM 505 OD1 ASP A 38 5.097 8.880 2.516 1.00 0.00 O ATOM 506 OD2 ASP A 38 3.800 10.444 3.354 1.00 0.00 O ATOM 0 H ASP A 38 2.089 5.463 2.299 1.00 0.00 H new ATOM 0 HA ASP A 38 3.898 6.748 2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.092 8.396 2.873 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.762 8.284 4.488 1.00 0.00 H new ATOM 511 N ASP A 39 5.082 5.161 3.981 1.00 0.00 N ATOM 512 CA ASP A 39 6.139 4.662 4.853 1.00 0.00 C ATOM 513 C ASP A 39 7.488 4.686 4.141 1.00 0.00 C ATOM 514 O ASP A 39 7.583 5.094 2.984 1.00 0.00 O ATOM 515 CB ASP A 39 5.819 3.241 5.317 1.00 0.00 C ATOM 516 CG ASP A 39 4.990 3.219 6.586 1.00 0.00 C ATOM 517 OD1 ASP A 39 4.524 4.298 7.008 1.00 0.00 O ATOM 518 OD2 ASP A 39 4.807 2.124 7.158 1.00 0.00 O ATOM 0 H ASP A 39 4.763 4.492 3.281 1.00 0.00 H new ATOM 0 HA ASP A 39 6.196 5.316 5.723 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.282 2.716 4.527 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.749 2.699 5.485 1.00 0.00 H new ATOM 523 N ASN A 40 8.529 4.247 4.841 1.00 0.00 N ATOM 524 CA ASN A 40 9.873 4.219 4.276 1.00 0.00 C ATOM 525 C ASN A 40 10.478 2.822 4.378 1.00 0.00 C ATOM 526 O ASN A 40 10.597 2.265 5.469 1.00 0.00 O ATOM 527 CB ASN A 40 10.771 5.230 4.992 1.00 0.00 C ATOM 528 CG ASN A 40 10.012 6.466 5.435 1.00 0.00 C ATOM 529 OD1 ASN A 40 9.962 6.785 6.622 1.00 0.00 O ATOM 530 ND2 ASN A 40 9.416 7.168 4.478 1.00 0.00 N ATOM 0 H ASN A 40 8.468 3.906 5.800 1.00 0.00 H new ATOM 0 HA ASN A 40 9.802 4.488 3.222 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.226 4.756 5.861 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.583 5.525 4.328 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.890 8.009 4.715 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.484 6.866 3.506 1.00 0.00 H new ATOM 537 N TYR A 41 10.858 2.263 3.235 1.00 0.00 N ATOM 538 CA TYR A 41 11.449 0.931 3.195 1.00 0.00 C ATOM 539 C TYR A 41 12.635 0.889 2.236 1.00 0.00 C ATOM 540 O TYR A 41 12.570 1.419 1.126 1.00 0.00 O ATOM 541 CB TYR A 41 10.402 -0.102 2.775 1.00 0.00 C ATOM 542 CG TYR A 41 9.360 -0.375 3.836 1.00 0.00 C ATOM 543 CD1 TYR A 41 9.603 -1.285 4.858 1.00 0.00 C ATOM 544 CD2 TYR A 41 8.133 0.277 3.818 1.00 0.00 C ATOM 545 CE1 TYR A 41 8.654 -1.538 5.829 1.00 0.00 C ATOM 546 CE2 TYR A 41 7.179 0.032 4.786 1.00 0.00 C ATOM 547 CZ TYR A 41 7.444 -0.877 5.789 1.00 0.00 C ATOM 548 OH TYR A 41 6.495 -1.125 6.755 1.00 0.00 O ATOM 0 H TYR A 41 10.767 2.712 2.323 1.00 0.00 H new ATOM 0 HA TYR A 41 11.806 0.690 4.196 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.904 0.245 1.870 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.905 -1.036 2.524 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.550 -1.803 4.893 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.922 0.988 3.033 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.858 -2.250 6.615 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.231 0.549 4.758 1.00 0.00 H new ATOM 0 HH TYR A 41 5.701 -0.577 6.582 1.00 0.00 H new ATOM 558 N HIS A 42 13.718 0.253 2.671 1.00 0.00 N ATOM 559 CA HIS A 42 14.919 0.139 1.852 1.00 0.00 C ATOM 560 C HIS A 42 14.785 -1.000 0.846 1.00 0.00 C ATOM 561 O HIS A 42 13.840 -1.787 0.908 1.00 0.00 O ATOM 562 CB HIS A 42 16.146 -0.087 2.736 1.00 0.00 C ATOM 563 CG HIS A 42 16.460 1.072 3.632 1.00 0.00 C ATOM 564 ND1 HIS A 42 17.100 0.932 4.846 1.00 0.00 N ATOM 565 CD2 HIS A 42 16.219 2.395 3.485 1.00 0.00 C ATOM 566 CE1 HIS A 42 17.238 2.120 5.407 1.00 0.00 C ATOM 567 NE2 HIS A 42 16.712 3.025 4.601 1.00 0.00 N ATOM 0 H HIS A 42 13.788 -0.191 3.586 1.00 0.00 H new ATOM 0 HA HIS A 42 15.044 1.072 1.303 1.00 0.00 H new ATOM 0 HB2 HIS A 42 15.985 -0.975 3.347 1.00 0.00 H new ATOM 0 HB3 HIS A 42 17.009 -0.289 2.101 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.730 2.868 2.646 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.702 2.318 6.362 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.678 4.029 4.779 1.00 0.00 H new ATOM 575 N ILE A 43 15.735 -1.081 -0.079 1.00 0.00 N ATOM 576 CA ILE A 43 15.723 -2.125 -1.096 1.00 0.00 C ATOM 577 C ILE A 43 16.479 -3.362 -0.624 1.00 0.00 C ATOM 578 O ILE A 43 16.570 -4.358 -1.342 1.00 0.00 O ATOM 579 CB ILE A 43 16.343 -1.631 -2.417 1.00 0.00 C ATOM 580 CG1 ILE A 43 17.751 -1.084 -2.171 1.00 0.00 C ATOM 581 CG2 ILE A 43 15.460 -0.568 -3.052 1.00 0.00 C ATOM 582 CD1 ILE A 43 18.642 -1.137 -3.392 1.00 0.00 C ATOM 0 H ILE A 43 16.523 -0.436 -0.145 1.00 0.00 H new ATOM 0 HA ILE A 43 14.679 -2.385 -1.269 1.00 0.00 H new ATOM 0 HB ILE A 43 16.415 -2.473 -3.105 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.676 -0.051 -1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.217 -1.652 -1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 43 15.912 -0.229 -3.984 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.475 -0.988 -3.257 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.359 0.276 -2.370 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.624 -0.733 -3.144 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.747 -2.171 -3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.198 -0.545 -4.192 1.00 0.00 H new ATOM 594 N PHE A 44 17.018 -3.293 0.588 1.00 0.00 N ATOM 595 CA PHE A 44 17.766 -4.408 1.158 1.00 0.00 C ATOM 596 C PHE A 44 17.234 -4.768 2.542 1.00 0.00 C ATOM 597 O PHE A 44 17.895 -5.468 3.310 1.00 0.00 O ATOM 598 CB PHE A 44 19.253 -4.061 1.244 1.00 0.00 C ATOM 599 CG PHE A 44 19.519 -2.698 1.817 1.00 0.00 C ATOM 600 CD1 PHE A 44 19.539 -2.500 3.188 1.00 0.00 C ATOM 601 CD2 PHE A 44 19.747 -1.615 0.984 1.00 0.00 C ATOM 602 CE1 PHE A 44 19.784 -1.247 3.719 1.00 0.00 C ATOM 603 CE2 PHE A 44 19.992 -0.360 1.509 1.00 0.00 C ATOM 604 CZ PHE A 44 20.009 -0.176 2.877 1.00 0.00 C ATOM 0 H PHE A 44 16.951 -2.476 1.195 1.00 0.00 H new ATOM 0 HA PHE A 44 17.639 -5.271 0.504 1.00 0.00 H new ATOM 0 HB2 PHE A 44 19.757 -4.808 1.856 1.00 0.00 H new ATOM 0 HB3 PHE A 44 19.690 -4.119 0.247 1.00 0.00 H new ATOM 0 HD1 PHE A 44 19.361 -3.334 3.850 1.00 0.00 H new ATOM 0 HD2 PHE A 44 19.733 -1.753 -0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 44 19.799 -1.106 4.790 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.170 0.476 0.849 1.00 0.00 H new ATOM 0 HZ PHE A 44 20.198 0.805 3.288 1.00 0.00 H new ATOM 614 N CYS A 45 16.036 -4.285 2.853 1.00 0.00 N ATOM 615 CA CYS A 45 15.415 -4.554 4.145 1.00 0.00 C ATOM 616 C CYS A 45 14.175 -5.428 3.980 1.00 0.00 C ATOM 617 O CYS A 45 13.767 -6.128 4.907 1.00 0.00 O ATOM 618 CB CYS A 45 15.041 -3.242 4.837 1.00 0.00 C ATOM 619 SG CYS A 45 16.422 -2.446 5.718 1.00 0.00 S ATOM 0 H CYS A 45 15.476 -3.705 2.228 1.00 0.00 H new ATOM 0 HA CYS A 45 16.135 -5.090 4.763 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.652 -2.549 4.091 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.235 -3.434 5.545 1.00 0.00 H new ATOM 624 N LEU A 46 13.578 -5.381 2.794 1.00 0.00 N ATOM 625 CA LEU A 46 12.384 -6.167 2.506 1.00 0.00 C ATOM 626 C LEU A 46 12.722 -7.651 2.398 1.00 0.00 C ATOM 627 O LEU A 46 13.830 -8.072 2.734 1.00 0.00 O ATOM 628 CB LEU A 46 11.732 -5.686 1.209 1.00 0.00 C ATOM 629 CG LEU A 46 11.529 -4.175 1.080 1.00 0.00 C ATOM 630 CD1 LEU A 46 11.472 -3.767 -0.383 1.00 0.00 C ATOM 631 CD2 LEU A 46 10.263 -3.744 1.806 1.00 0.00 C ATOM 0 H LEU A 46 13.902 -4.806 2.016 1.00 0.00 H new ATOM 0 HA LEU A 46 11.683 -6.031 3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.343 -6.023 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.761 -6.173 1.111 1.00 0.00 H new ATOM 0 HG LEU A 46 12.378 -3.672 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.327 -2.689 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.406 -4.041 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.642 -4.278 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.134 -2.666 1.704 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.403 -4.255 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.344 -4.001 2.862 1.00 0.00 H new ATOM 643 N LEU A 47 11.762 -8.438 1.926 1.00 0.00 N ATOM 644 CA LEU A 47 11.958 -9.875 1.771 1.00 0.00 C ATOM 645 C LEU A 47 10.812 -10.499 0.981 1.00 0.00 C ATOM 646 O LEU A 47 9.702 -10.675 1.484 1.00 0.00 O ATOM 647 CB LEU A 47 12.073 -10.545 3.141 1.00 0.00 C ATOM 648 CG LEU A 47 13.116 -11.657 3.260 1.00 0.00 C ATOM 649 CD1 LEU A 47 13.672 -11.718 4.674 1.00 0.00 C ATOM 650 CD2 LEU A 47 12.514 -12.997 2.863 1.00 0.00 C ATOM 0 H LEU A 47 10.840 -8.105 1.644 1.00 0.00 H new ATOM 0 HA LEU A 47 12.884 -10.033 1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.304 -9.778 3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.099 -10.958 3.404 1.00 0.00 H new ATOM 0 HG LEU A 47 13.937 -11.434 2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.413 -12.515 4.740 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.141 -10.766 4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.862 -11.917 5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.270 -13.777 2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.675 -13.227 3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.165 -12.948 1.831 1.00 0.00 H new ATOM 662 N PRO A 48 11.085 -10.845 -0.286 1.00 0.00 N ATOM 663 CA PRO A 48 12.403 -10.640 -0.896 1.00 0.00 C ATOM 664 C PRO A 48 12.711 -9.165 -1.128 1.00 0.00 C ATOM 665 O PRO A 48 11.821 -8.353 -1.384 1.00 0.00 O ATOM 666 CB PRO A 48 12.294 -11.381 -2.231 1.00 0.00 C ATOM 667 CG PRO A 48 10.838 -11.385 -2.545 1.00 0.00 C ATOM 668 CD PRO A 48 10.129 -11.462 -1.221 1.00 0.00 C ATOM 0 HA PRO A 48 13.209 -11.001 -0.257 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.866 -10.878 -3.011 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.685 -12.396 -2.154 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.553 -10.484 -3.088 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.577 -12.234 -3.177 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.182 -10.923 -1.241 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.904 -12.492 -0.945 1.00 0.00 H new ATOM 676 N PRO A 49 14.001 -8.808 -1.039 1.00 0.00 N ATOM 677 CA PRO A 49 14.456 -7.429 -1.238 1.00 0.00 C ATOM 678 C PRO A 49 14.330 -6.980 -2.690 1.00 0.00 C ATOM 679 O PRO A 49 13.914 -7.752 -3.555 1.00 0.00 O ATOM 680 CB PRO A 49 15.927 -7.477 -0.818 1.00 0.00 C ATOM 681 CG PRO A 49 16.335 -8.894 -1.028 1.00 0.00 C ATOM 682 CD PRO A 49 15.114 -9.723 -0.738 1.00 0.00 C ATOM 0 HA PRO A 49 13.859 -6.717 -0.668 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.532 -6.798 -1.418 1.00 0.00 H new ATOM 0 HB3 PRO A 49 16.051 -7.179 0.223 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.681 -9.053 -2.049 1.00 0.00 H new ATOM 0 HG3 PRO A 49 17.157 -9.166 -0.366 1.00 0.00 H new ATOM 0 HD2 PRO A 49 15.078 -10.617 -1.360 1.00 0.00 H new ATOM 0 HD3 PRO A 49 15.091 -10.056 0.300 1.00 0.00 H new ATOM 690 N LEU A 50 14.692 -5.729 -2.951 1.00 0.00 N ATOM 691 CA LEU A 50 14.621 -5.178 -4.300 1.00 0.00 C ATOM 692 C LEU A 50 16.003 -4.761 -4.792 1.00 0.00 C ATOM 693 O LEU A 50 16.919 -4.511 -4.008 1.00 0.00 O ATOM 694 CB LEU A 50 13.672 -3.978 -4.332 1.00 0.00 C ATOM 695 CG LEU A 50 12.178 -4.303 -4.317 1.00 0.00 C ATOM 696 CD1 LEU A 50 11.355 -3.027 -4.247 1.00 0.00 C ATOM 697 CD2 LEU A 50 11.797 -5.120 -5.543 1.00 0.00 C ATOM 0 H LEU A 50 15.038 -5.077 -2.247 1.00 0.00 H new ATOM 0 HA LEU A 50 14.239 -5.954 -4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.894 -3.342 -3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.887 -3.394 -5.227 1.00 0.00 H new ATOM 0 HG LEU A 50 11.964 -4.898 -3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.294 -3.278 -4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.607 -2.481 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.573 -2.406 -5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.730 -5.342 -5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.026 -4.552 -6.444 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.361 -6.052 -5.549 1.00 0.00 H new ATOM 709 N PRO A 51 16.159 -4.681 -6.122 1.00 0.00 N ATOM 710 CA PRO A 51 17.426 -4.291 -6.748 1.00 0.00 C ATOM 711 C PRO A 51 17.756 -2.820 -6.523 1.00 0.00 C ATOM 712 O PRO A 51 18.892 -2.471 -6.203 1.00 0.00 O ATOM 713 CB PRO A 51 17.185 -4.564 -8.235 1.00 0.00 C ATOM 714 CG PRO A 51 15.708 -4.466 -8.403 1.00 0.00 C ATOM 715 CD PRO A 51 15.111 -4.964 -7.116 1.00 0.00 C ATOM 0 HA PRO A 51 18.272 -4.838 -6.331 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.704 -3.837 -8.860 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.552 -5.550 -8.521 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.405 -3.438 -8.602 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.371 -5.066 -9.248 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.181 -4.447 -6.878 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.881 -6.028 -7.165 1.00 0.00 H new ATOM 723 N GLU A 52 16.755 -1.961 -6.691 1.00 0.00 N ATOM 724 CA GLU A 52 16.941 -0.527 -6.505 1.00 0.00 C ATOM 725 C GLU A 52 15.599 0.201 -6.511 1.00 0.00 C ATOM 726 O GLU A 52 14.550 -0.411 -6.718 1.00 0.00 O ATOM 727 CB GLU A 52 17.844 0.039 -7.603 1.00 0.00 C ATOM 728 CG GLU A 52 17.334 -0.228 -9.009 1.00 0.00 C ATOM 729 CD GLU A 52 17.823 0.799 -10.012 1.00 0.00 C ATOM 730 OE1 GLU A 52 18.833 1.475 -9.725 1.00 0.00 O ATOM 731 OE2 GLU A 52 17.195 0.926 -11.084 1.00 0.00 O ATOM 0 H GLU A 52 15.808 -2.233 -6.955 1.00 0.00 H new ATOM 0 HA GLU A 52 17.416 -0.371 -5.536 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.944 1.115 -7.460 1.00 0.00 H new ATOM 0 HB3 GLU A 52 18.840 -0.391 -7.499 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.655 -1.221 -9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.244 -0.233 -9.001 1.00 0.00 H new ATOM 738 N ILE A 53 15.641 1.509 -6.280 1.00 0.00 N ATOM 739 CA ILE A 53 14.430 2.319 -6.259 1.00 0.00 C ATOM 740 C ILE A 53 13.596 2.094 -7.515 1.00 0.00 C ATOM 741 O ILE A 53 14.097 2.131 -8.639 1.00 0.00 O ATOM 742 CB ILE A 53 14.759 3.819 -6.137 1.00 0.00 C ATOM 743 CG1 ILE A 53 15.191 4.154 -4.708 1.00 0.00 C ATOM 744 CG2 ILE A 53 13.557 4.659 -6.543 1.00 0.00 C ATOM 745 CD1 ILE A 53 14.074 4.032 -3.695 1.00 0.00 C ATOM 0 H ILE A 53 16.500 2.030 -6.105 1.00 0.00 H new ATOM 0 HA ILE A 53 13.857 2.008 -5.385 1.00 0.00 H new ATOM 0 HB ILE A 53 15.584 4.051 -6.810 1.00 0.00 H new ATOM 0 HG12 ILE A 53 16.007 3.491 -4.419 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.583 5.171 -4.684 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.805 5.717 -6.452 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.290 4.437 -7.576 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.714 4.426 -5.892 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.452 4.284 -2.704 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.267 4.715 -3.960 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.697 3.009 -3.690 1.00 0.00 H new ATOM 757 N PRO A 54 12.290 1.856 -7.323 1.00 0.00 N ATOM 758 CA PRO A 54 11.356 1.623 -8.429 1.00 0.00 C ATOM 759 C PRO A 54 11.106 2.882 -9.252 1.00 0.00 C ATOM 760 O PRO A 54 11.564 3.968 -8.897 1.00 0.00 O ATOM 761 CB PRO A 54 10.072 1.182 -7.723 1.00 0.00 C ATOM 762 CG PRO A 54 10.161 1.785 -6.364 1.00 0.00 C ATOM 763 CD PRO A 54 11.623 1.798 -6.011 1.00 0.00 C ATOM 0 HA PRO A 54 11.741 0.891 -9.139 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.187 1.533 -8.255 1.00 0.00 H new ATOM 0 HB3 PRO A 54 10.002 0.096 -7.670 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.749 2.794 -6.357 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.590 1.203 -5.641 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.879 2.657 -5.392 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.910 0.906 -5.453 1.00 0.00 H new ATOM 771 N ARG A 55 10.377 2.729 -10.353 1.00 0.00 N ATOM 772 CA ARG A 55 10.067 3.854 -11.227 1.00 0.00 C ATOM 773 C ARG A 55 8.686 4.421 -10.913 1.00 0.00 C ATOM 774 O ARG A 55 8.563 5.489 -10.314 1.00 0.00 O ATOM 775 CB ARG A 55 10.132 3.422 -12.693 1.00 0.00 C ATOM 776 CG ARG A 55 11.548 3.229 -13.209 1.00 0.00 C ATOM 777 CD ARG A 55 11.555 2.750 -14.652 1.00 0.00 C ATOM 778 NE ARG A 55 11.638 3.860 -15.597 1.00 0.00 N ATOM 779 CZ ARG A 55 12.750 4.551 -15.823 1.00 0.00 C ATOM 780 NH1 ARG A 55 13.867 4.247 -15.177 1.00 0.00 N ATOM 781 NH2 ARG A 55 12.746 5.548 -16.699 1.00 0.00 N ATOM 0 H ARG A 55 9.990 1.837 -10.661 1.00 0.00 H new ATOM 0 HA ARG A 55 10.809 4.633 -11.052 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.580 2.489 -12.813 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.630 4.170 -13.306 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.095 4.169 -13.134 1.00 0.00 H new ATOM 0 HG3 ARG A 55 12.069 2.506 -12.582 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.399 2.078 -14.807 1.00 0.00 H new ATOM 0 HD3 ARG A 55 10.650 2.175 -14.847 1.00 0.00 H new ATOM 0 HE ARG A 55 10.796 4.119 -16.112 1.00 0.00 H new ATOM 0 HH11 ARG A 55 13.874 3.481 -14.504 1.00 0.00 H new ATOM 0 HH12 ARG A 55 14.719 4.780 -15.353 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.889 5.784 -17.199 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.600 6.078 -16.872 1.00 0.00 H new ATOM 795 N GLY A 56 7.648 3.698 -11.323 1.00 0.00 N ATOM 796 CA GLY A 56 6.289 4.146 -11.077 1.00 0.00 C ATOM 797 C GLY A 56 5.934 4.139 -9.604 1.00 0.00 C ATOM 798 O GLY A 56 6.777 4.426 -8.754 1.00 0.00 O ATOM 0 H GLY A 56 7.724 2.811 -11.821 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.165 5.154 -11.473 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.594 3.503 -11.618 1.00 0.00 H new ATOM 802 N ILE A 57 4.682 3.811 -9.300 1.00 0.00 N ATOM 803 CA ILE A 57 4.218 3.769 -7.919 1.00 0.00 C ATOM 804 C ILE A 57 4.599 2.452 -7.251 1.00 0.00 C ATOM 805 O ILE A 57 4.368 1.376 -7.801 1.00 0.00 O ATOM 806 CB ILE A 57 2.691 3.952 -7.833 1.00 0.00 C ATOM 807 CG1 ILE A 57 2.284 5.306 -8.419 1.00 0.00 C ATOM 808 CG2 ILE A 57 2.224 3.831 -6.390 1.00 0.00 C ATOM 809 CD1 ILE A 57 0.787 5.485 -8.544 1.00 0.00 C ATOM 0 H ILE A 57 3.972 3.571 -9.991 1.00 0.00 H new ATOM 0 HA ILE A 57 4.705 4.593 -7.397 1.00 0.00 H new ATOM 0 HB ILE A 57 2.212 3.166 -8.417 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.685 6.100 -7.790 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.739 5.418 -9.403 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.143 3.963 -6.345 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.486 2.846 -6.004 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.708 4.598 -5.785 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.572 6.467 -8.966 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.381 4.712 -9.197 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.328 5.405 -7.559 1.00 0.00 H new ATOM 821 N TRP A 58 5.182 2.546 -6.062 1.00 0.00 N ATOM 822 CA TRP A 58 5.594 1.362 -5.317 1.00 0.00 C ATOM 823 C TRP A 58 4.838 1.259 -3.997 1.00 0.00 C ATOM 824 O TRP A 58 4.612 2.262 -3.321 1.00 0.00 O ATOM 825 CB TRP A 58 7.101 1.397 -5.055 1.00 0.00 C ATOM 826 CG TRP A 58 7.587 0.245 -4.229 1.00 0.00 C ATOM 827 CD1 TRP A 58 8.098 -0.935 -4.688 1.00 0.00 C ATOM 828 CD2 TRP A 58 7.607 0.164 -2.799 1.00 0.00 C ATOM 829 NE1 TRP A 58 8.433 -1.746 -3.631 1.00 0.00 N ATOM 830 CE2 TRP A 58 8.143 -1.094 -2.461 1.00 0.00 C ATOM 831 CE3 TRP A 58 7.227 1.032 -1.772 1.00 0.00 C ATOM 832 CZ2 TRP A 58 8.306 -1.503 -1.140 1.00 0.00 C ATOM 833 CZ3 TRP A 58 7.388 0.624 -0.462 1.00 0.00 C ATOM 834 CH2 TRP A 58 7.924 -0.633 -0.155 1.00 0.00 C ATOM 0 H TRP A 58 5.380 3.430 -5.593 1.00 0.00 H new ATOM 0 HA TRP A 58 5.358 0.484 -5.919 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.628 1.399 -6.009 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.353 2.329 -4.549 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.221 -1.193 -5.730 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.833 -2.682 -3.705 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.815 2.004 -1.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.719 -2.472 -0.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.095 1.286 0.340 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.038 -0.921 0.879 1.00 0.00 H new ATOM 845 N ARG A 59 4.450 0.040 -3.636 1.00 0.00 N ATOM 846 CA ARG A 59 3.719 -0.193 -2.397 1.00 0.00 C ATOM 847 C ARG A 59 4.506 -1.108 -1.464 1.00 0.00 C ATOM 848 O ARG A 59 5.406 -1.829 -1.898 1.00 0.00 O ATOM 849 CB ARG A 59 2.350 -0.808 -2.695 1.00 0.00 C ATOM 850 CG ARG A 59 1.195 0.166 -2.526 1.00 0.00 C ATOM 851 CD ARG A 59 -0.061 -0.539 -2.037 1.00 0.00 C ATOM 852 NE ARG A 59 -1.173 -0.387 -2.972 1.00 0.00 N ATOM 853 CZ ARG A 59 -1.305 -1.107 -4.080 1.00 0.00 C ATOM 854 NH1 ARG A 59 -0.400 -2.025 -4.390 1.00 0.00 N ATOM 855 NH2 ARG A 59 -2.345 -0.911 -4.880 1.00 0.00 N ATOM 0 H ARG A 59 4.630 -0.801 -4.184 1.00 0.00 H new ATOM 0 HA ARG A 59 3.579 0.768 -1.902 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.347 -1.189 -3.716 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.193 -1.662 -2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.475 0.945 -1.817 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.991 0.658 -3.477 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.150 -1.599 -1.894 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.347 -0.137 -1.065 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.887 0.310 -2.762 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.400 -2.180 -3.777 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.504 -2.577 -5.242 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.044 -0.207 -4.644 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.445 -1.465 -5.731 1.00 0.00 H new ATOM 869 N CYS A 60 4.163 -1.074 -0.181 1.00 0.00 N ATOM 870 CA CYS A 60 4.838 -1.899 0.814 1.00 0.00 C ATOM 871 C CYS A 60 4.057 -3.184 1.075 1.00 0.00 C ATOM 872 O CYS A 60 2.858 -3.277 0.811 1.00 0.00 O ATOM 873 CB CYS A 60 5.011 -1.121 2.120 1.00 0.00 C ATOM 874 SG CYS A 60 3.496 -1.008 3.125 1.00 0.00 S ATOM 0 H CYS A 60 3.421 -0.484 0.195 1.00 0.00 H new ATOM 0 HA CYS A 60 5.821 -2.164 0.424 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.793 -1.596 2.713 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.356 -0.113 1.887 1.00 0.00 H new ATOM 879 N PRO A 61 4.752 -4.201 1.607 1.00 0.00 N ATOM 880 CA PRO A 61 4.145 -5.499 1.916 1.00 0.00 C ATOM 881 C PRO A 61 3.174 -5.420 3.090 1.00 0.00 C ATOM 882 O PRO A 61 2.276 -6.251 3.223 1.00 0.00 O ATOM 883 CB PRO A 61 5.347 -6.376 2.275 1.00 0.00 C ATOM 884 CG PRO A 61 6.387 -5.419 2.746 1.00 0.00 C ATOM 885 CD PRO A 61 6.184 -4.161 1.948 1.00 0.00 C ATOM 0 HA PRO A 61 3.554 -5.881 1.084 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.093 -7.098 3.051 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.694 -6.945 1.412 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.284 -5.225 3.814 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.388 -5.822 2.591 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.434 -3.273 2.528 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.809 -4.146 1.055 1.00 0.00 H new ATOM 893 N LYS A 62 3.360 -4.414 3.938 1.00 0.00 N ATOM 894 CA LYS A 62 2.500 -4.225 5.100 1.00 0.00 C ATOM 895 C LYS A 62 1.108 -3.764 4.678 1.00 0.00 C ATOM 896 O LYS A 62 0.144 -3.892 5.434 1.00 0.00 O ATOM 897 CB LYS A 62 3.118 -3.203 6.057 1.00 0.00 C ATOM 898 CG LYS A 62 3.648 -3.816 7.342 1.00 0.00 C ATOM 899 CD LYS A 62 2.553 -3.958 8.385 1.00 0.00 C ATOM 900 CE LYS A 62 2.346 -2.664 9.156 1.00 0.00 C ATOM 901 NZ LYS A 62 0.980 -2.107 8.950 1.00 0.00 N ATOM 0 H LYS A 62 4.099 -3.717 3.842 1.00 0.00 H new ATOM 0 HA LYS A 62 2.407 -5.183 5.611 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.932 -2.687 5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.369 -2.451 6.305 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.078 -4.795 7.129 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.451 -3.195 7.738 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.621 -4.246 7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.811 -4.758 9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.508 -2.845 10.219 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.088 -1.931 8.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.879 -1.225 9.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.834 -1.910 7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.272 -2.796 9.274 1.00 0.00 H new ATOM 915 N CYS A 63 1.010 -3.229 3.466 1.00 0.00 N ATOM 916 CA CYS A 63 -0.264 -2.750 2.942 1.00 0.00 C ATOM 917 C CYS A 63 -0.851 -3.746 1.946 1.00 0.00 C ATOM 918 O CYS A 63 -2.055 -4.003 1.947 1.00 0.00 O ATOM 919 CB CYS A 63 -0.082 -1.387 2.270 1.00 0.00 C ATOM 920 SG CYS A 63 0.011 0.010 3.436 1.00 0.00 S ATOM 0 H CYS A 63 1.798 -3.116 2.828 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.957 -2.647 3.777 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.828 -1.408 1.671 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.912 -1.219 1.583 1.00 0.00 H new ATOM 925 N ILE A 64 0.007 -4.302 1.098 1.00 0.00 N ATOM 926 CA ILE A 64 -0.426 -5.270 0.098 1.00 0.00 C ATOM 927 C ILE A 64 -0.906 -6.561 0.754 1.00 0.00 C ATOM 928 O ILE A 64 -1.950 -7.104 0.390 1.00 0.00 O ATOM 929 CB ILE A 64 0.705 -5.601 -0.893 1.00 0.00 C ATOM 930 CG1 ILE A 64 1.186 -4.330 -1.595 1.00 0.00 C ATOM 931 CG2 ILE A 64 0.234 -6.629 -1.911 1.00 0.00 C ATOM 932 CD1 ILE A 64 2.579 -4.449 -2.173 1.00 0.00 C ATOM 0 H ILE A 64 1.006 -4.099 1.083 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.252 -4.812 -0.446 1.00 0.00 H new ATOM 0 HB ILE A 64 1.541 -6.025 -0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.489 -4.081 -2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.165 -3.503 -0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.045 -6.852 -2.604 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.064 -7.542 -1.395 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.617 -6.230 -2.464 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.854 -3.511 -2.655 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.287 -4.667 -1.374 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.601 -5.254 -2.907 1.00 0.00 H new ATOM 944 N LEU A 65 -0.138 -7.045 1.724 1.00 0.00 N ATOM 945 CA LEU A 65 -0.486 -8.272 2.433 1.00 0.00 C ATOM 946 C LEU A 65 -1.760 -8.086 3.251 1.00 0.00 C ATOM 947 O LEU A 65 -2.391 -9.058 3.664 1.00 0.00 O ATOM 948 CB LEU A 65 0.664 -8.698 3.349 1.00 0.00 C ATOM 949 CG LEU A 65 1.972 -9.074 2.652 1.00 0.00 C ATOM 950 CD1 LEU A 65 3.112 -9.138 3.656 1.00 0.00 C ATOM 951 CD2 LEU A 65 1.825 -10.403 1.924 1.00 0.00 C ATOM 0 H LEU A 65 0.728 -6.608 2.037 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.662 -9.053 1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.867 -7.885 4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.333 -9.551 3.942 1.00 0.00 H new ATOM 0 HG LEU A 65 2.205 -8.303 1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.035 -9.407 3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.232 -8.165 4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.887 -9.888 4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.765 -10.655 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.568 -11.184 2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.036 -10.323 1.176 1.00 0.00 H new ATOM 963 N ALA A 66 -2.132 -6.830 3.479 1.00 0.00 N ATOM 964 CA ALA A 66 -3.333 -6.517 4.243 1.00 0.00 C ATOM 965 C ALA A 66 -4.557 -6.444 3.337 1.00 0.00 C ATOM 966 O ALA A 66 -5.589 -7.051 3.623 1.00 0.00 O ATOM 967 CB ALA A 66 -3.153 -5.207 4.996 1.00 0.00 C ATOM 0 H ALA A 66 -1.619 -6.014 3.146 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.494 -7.319 4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.058 -4.986 5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.309 -5.294 5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.963 -4.402 4.286 1.00 0.00 H new ATOM 973 N GLU A 67 -4.435 -5.697 2.244 1.00 0.00 N ATOM 974 CA GLU A 67 -5.534 -5.545 1.297 1.00 0.00 C ATOM 975 C GLU A 67 -5.782 -6.845 0.538 1.00 0.00 C ATOM 976 O GLU A 67 -6.912 -7.144 0.150 1.00 0.00 O ATOM 977 CB GLU A 67 -5.233 -4.414 0.311 1.00 0.00 C ATOM 978 CG GLU A 67 -5.321 -3.029 0.928 1.00 0.00 C ATOM 979 CD GLU A 67 -6.747 -2.617 1.238 1.00 0.00 C ATOM 980 OE1 GLU A 67 -7.634 -2.869 0.396 1.00 0.00 O ATOM 981 OE2 GLU A 67 -6.976 -2.044 2.324 1.00 0.00 O ATOM 0 H GLU A 67 -3.587 -5.188 1.993 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.434 -5.297 1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.233 -4.557 -0.099 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.931 -4.476 -0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.733 -3.006 1.845 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.877 -2.303 0.247 1.00 0.00 H new ATOM 988 N CYS A 68 -4.719 -7.613 0.329 1.00 0.00 N ATOM 989 CA CYS A 68 -4.819 -8.881 -0.385 1.00 0.00 C ATOM 990 C CYS A 68 -5.818 -9.810 0.296 1.00 0.00 C ATOM 991 O CYS A 68 -6.412 -9.461 1.316 1.00 0.00 O ATOM 992 CB CYS A 68 -3.449 -9.555 -0.465 1.00 0.00 C ATOM 993 SG CYS A 68 -2.487 -9.101 -1.928 1.00 0.00 S ATOM 0 H CYS A 68 -3.777 -7.380 0.644 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.173 -8.674 -1.395 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -2.877 -9.298 0.427 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.587 -10.636 -0.455 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.344 -9.720 -1.905 1.00 0.00 H new ATOM 999 N LYS A 69 -6.001 -10.996 -0.276 1.00 0.00 N ATOM 1000 CA LYS A 69 -6.928 -11.977 0.274 1.00 0.00 C ATOM 1001 C LYS A 69 -8.339 -11.403 0.362 1.00 0.00 C ATOM 1002 O LYS A 69 -8.577 -10.258 -0.022 1.00 0.00 O ATOM 1003 CB LYS A 69 -6.462 -12.428 1.660 1.00 0.00 C ATOM 1004 CG LYS A 69 -5.189 -13.255 1.634 1.00 0.00 C ATOM 1005 CD LYS A 69 -5.402 -14.586 0.932 1.00 0.00 C ATOM 1006 CE LYS A 69 -4.165 -15.466 1.018 1.00 0.00 C ATOM 1007 NZ LYS A 69 -4.348 -16.753 0.291 1.00 0.00 N ATOM 0 H LYS A 69 -5.518 -11.301 -1.121 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.946 -12.838 -0.395 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.301 -11.549 2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.255 -13.011 2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.402 -12.697 1.127 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.848 -13.431 2.654 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.250 -15.104 1.381 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.653 -14.411 -0.114 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.310 -14.932 0.602 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.936 -15.669 2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.483 -17.324 0.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.148 -17.274 0.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.541 -16.560 -0.713 1.00 0.00 H new ATOM 1021 N GLN A 70 -9.268 -12.205 0.871 1.00 0.00 N ATOM 1022 CA GLN A 70 -10.654 -11.775 1.010 1.00 0.00 C ATOM 1023 C GLN A 70 -10.825 -10.873 2.228 1.00 0.00 C ATOM 1024 O GLN A 70 -10.057 -10.933 3.188 1.00 0.00 O ATOM 1025 CB GLN A 70 -11.578 -12.989 1.126 1.00 0.00 C ATOM 1026 CG GLN A 70 -11.812 -13.703 -0.195 1.00 0.00 C ATOM 1027 CD GLN A 70 -12.801 -14.845 -0.074 1.00 0.00 C ATOM 1028 OE1 GLN A 70 -13.709 -14.985 -0.894 1.00 0.00 O ATOM 1029 NE2 GLN A 70 -12.631 -15.670 0.953 1.00 0.00 N ATOM 0 H GLN A 70 -9.086 -13.155 1.194 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.922 -11.207 0.119 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.151 -13.693 1.840 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.538 -12.668 1.531 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.178 -12.987 -0.931 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.863 -14.087 -0.569 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.865 -15.517 1.609 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.266 -16.457 1.086 1.00 0.00 H new ATOM 1038 N PRO A 71 -11.856 -10.016 2.191 1.00 0.00 N ATOM 1039 CA PRO A 71 -12.152 -9.085 3.284 1.00 0.00 C ATOM 1040 C PRO A 71 -12.664 -9.799 4.530 1.00 0.00 C ATOM 1041 O PRO A 71 -13.104 -10.948 4.480 1.00 0.00 O ATOM 1042 CB PRO A 71 -13.243 -8.185 2.698 1.00 0.00 C ATOM 1043 CG PRO A 71 -13.896 -9.015 1.647 1.00 0.00 C ATOM 1044 CD PRO A 71 -12.813 -9.890 1.078 1.00 0.00 C ATOM 0 HA PRO A 71 -11.264 -8.544 3.610 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.958 -7.880 3.463 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.820 -7.273 2.276 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -14.702 -9.616 2.069 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.338 -8.388 0.873 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -13.201 -10.861 0.770 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -12.351 -9.438 0.200 1.00 0.00 H new ATOM 1052 N PRO A 72 -12.607 -9.104 5.676 1.00 0.00 N ATOM 1053 CA PRO A 72 -13.062 -9.652 6.958 1.00 0.00 C ATOM 1054 C PRO A 72 -14.577 -9.811 7.015 1.00 0.00 C ATOM 1055 O PRO A 72 -15.274 -8.987 7.606 1.00 0.00 O ATOM 1056 CB PRO A 72 -12.594 -8.609 7.976 1.00 0.00 C ATOM 1057 CG PRO A 72 -12.504 -7.339 7.202 1.00 0.00 C ATOM 1058 CD PRO A 72 -12.094 -7.730 5.810 1.00 0.00 C ATOM 0 HA PRO A 72 -12.665 -10.651 7.138 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.298 -8.519 8.803 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.630 -8.880 8.406 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.461 -6.818 7.195 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.776 -6.661 7.647 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.526 -7.065 5.062 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.012 -7.691 5.684 1.00 0.00 H new ATOM 1066 N GLU A 73 -15.080 -10.875 6.398 1.00 0.00 N ATOM 1067 CA GLU A 73 -16.514 -11.140 6.379 1.00 0.00 C ATOM 1068 C GLU A 73 -16.799 -12.558 5.891 1.00 0.00 C ATOM 1069 O GLU A 73 -17.844 -12.822 5.297 1.00 0.00 O ATOM 1070 CB GLU A 73 -17.231 -10.127 5.484 1.00 0.00 C ATOM 1071 CG GLU A 73 -18.671 -9.864 5.894 1.00 0.00 C ATOM 1072 CD GLU A 73 -18.944 -8.396 6.156 1.00 0.00 C ATOM 1073 OE1 GLU A 73 -18.486 -7.554 5.356 1.00 0.00 O ATOM 1074 OE2 GLU A 73 -19.617 -8.090 7.163 1.00 0.00 O ATOM 0 H GLU A 73 -14.516 -11.567 5.905 1.00 0.00 H new ATOM 0 HA GLU A 73 -16.889 -11.043 7.398 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -16.680 -9.187 5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -17.215 -10.488 4.456 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -19.339 -10.220 5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -18.900 -10.438 6.792 1.00 0.00 H new ATOM 1081 N ALA A 74 -15.862 -13.464 6.146 1.00 0.00 N ATOM 1082 CA ALA A 74 -16.012 -14.855 5.734 1.00 0.00 C ATOM 1083 C ALA A 74 -15.487 -15.804 6.806 1.00 0.00 C ATOM 1084 O ALA A 74 -14.357 -15.663 7.274 1.00 0.00 O ATOM 1085 CB ALA A 74 -15.295 -15.095 4.415 1.00 0.00 C ATOM 0 H ALA A 74 -14.991 -13.261 6.636 1.00 0.00 H new ATOM 0 HA ALA A 74 -17.075 -15.056 5.598 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -15.415 -16.137 4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -15.720 -14.449 3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.235 -14.871 4.531 1.00 0.00 H new ATOM 1091 N PHE A 75 -16.313 -16.772 7.189 1.00 0.00 N ATOM 1092 CA PHE A 75 -15.931 -17.744 8.207 1.00 0.00 C ATOM 1093 C PHE A 75 -15.236 -18.947 7.576 1.00 0.00 C ATOM 1094 O PHE A 75 -14.278 -19.485 8.130 1.00 0.00 O ATOM 1095 CB PHE A 75 -17.162 -18.205 8.989 1.00 0.00 C ATOM 1096 CG PHE A 75 -17.208 -17.683 10.397 1.00 0.00 C ATOM 1097 CD1 PHE A 75 -16.611 -18.386 11.431 1.00 0.00 C ATOM 1098 CD2 PHE A 75 -17.848 -16.488 10.686 1.00 0.00 C ATOM 1099 CE1 PHE A 75 -16.653 -17.909 12.727 1.00 0.00 C ATOM 1100 CE2 PHE A 75 -17.892 -16.005 11.981 1.00 0.00 C ATOM 1101 CZ PHE A 75 -17.293 -16.716 13.002 1.00 0.00 C ATOM 0 H PHE A 75 -17.251 -16.904 6.810 1.00 0.00 H new ATOM 0 HA PHE A 75 -15.234 -17.261 8.892 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -18.060 -17.883 8.461 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -17.180 -19.295 9.013 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -16.107 -19.318 11.221 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -18.318 -15.928 9.891 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -16.186 -18.468 13.524 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -18.394 -15.073 12.194 1.00 0.00 H new ATOM 0 HZ PHE A 75 -17.325 -16.340 14.014 1.00 0.00 H new ATOM 1111 N GLY A 76 -15.726 -19.364 6.413 1.00 0.00 N ATOM 1112 CA GLY A 76 -15.141 -20.501 5.726 1.00 0.00 C ATOM 1113 C GLY A 76 -15.945 -20.920 4.511 1.00 0.00 C ATOM 1114 O GLY A 76 -17.176 -20.924 4.543 1.00 0.00 O ATOM 0 H GLY A 76 -16.518 -18.935 5.934 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.125 -20.252 5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -15.068 -21.341 6.417 1.00 0.00 H new ATOM 1118 N PHE A 77 -15.248 -21.272 3.436 1.00 0.00 N ATOM 1119 CA PHE A 77 -15.904 -21.693 2.203 1.00 0.00 C ATOM 1120 C PHE A 77 -15.167 -22.868 1.568 1.00 0.00 C ATOM 1121 O PHE A 77 -13.942 -22.857 1.454 1.00 0.00 O ATOM 1122 CB PHE A 77 -15.976 -20.527 1.215 1.00 0.00 C ATOM 1123 CG PHE A 77 -17.174 -19.644 1.416 1.00 0.00 C ATOM 1124 CD1 PHE A 77 -17.187 -18.687 2.418 1.00 0.00 C ATOM 1125 CD2 PHE A 77 -18.289 -19.770 0.602 1.00 0.00 C ATOM 1126 CE1 PHE A 77 -18.288 -17.873 2.605 1.00 0.00 C ATOM 1127 CE2 PHE A 77 -19.392 -18.958 0.784 1.00 0.00 C ATOM 1128 CZ PHE A 77 -19.392 -18.009 1.787 1.00 0.00 C ATOM 0 H PHE A 77 -14.229 -21.274 3.393 1.00 0.00 H new ATOM 0 HA PHE A 77 -16.916 -22.013 2.451 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -15.072 -19.926 1.308 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -15.992 -20.922 0.199 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -16.326 -18.576 3.061 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -18.296 -20.511 -0.183 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -18.285 -17.131 3.390 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -20.254 -19.066 0.142 1.00 0.00 H new ATOM 0 HZ PHE A 77 -20.254 -17.374 1.931 1.00 0.00 H new ATOM 1138 N GLU A 78 -15.924 -23.881 1.156 1.00 0.00 N ATOM 1139 CA GLU A 78 -15.342 -25.064 0.534 1.00 0.00 C ATOM 1140 C GLU A 78 -15.795 -25.193 -0.918 1.00 0.00 C ATOM 1141 O GLU A 78 -15.985 -26.299 -1.422 1.00 0.00 O ATOM 1142 CB GLU A 78 -15.731 -26.321 1.314 1.00 0.00 C ATOM 1143 CG GLU A 78 -17.226 -26.588 1.334 1.00 0.00 C ATOM 1144 CD GLU A 78 -17.866 -26.228 2.660 1.00 0.00 C ATOM 1145 OE1 GLU A 78 -17.606 -26.936 3.655 1.00 0.00 O ATOM 1146 OE2 GLU A 78 -18.627 -25.238 2.703 1.00 0.00 O ATOM 0 H GLU A 78 -16.940 -23.906 1.242 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.258 -24.956 0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.223 -27.181 0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.374 -26.227 2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -17.704 -26.017 0.538 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -17.406 -27.642 1.123 1.00 0.00 H new ATOM 1153 N GLN A 79 -15.966 -24.055 -1.582 1.00 0.00 N ATOM 1154 CA GLN A 79 -16.397 -24.041 -2.975 1.00 0.00 C ATOM 1155 C GLN A 79 -15.308 -23.471 -3.877 1.00 0.00 C ATOM 1156 O GLN A 79 -14.685 -22.460 -3.552 1.00 0.00 O ATOM 1157 CB GLN A 79 -17.680 -23.221 -3.125 1.00 0.00 C ATOM 1158 CG GLN A 79 -18.469 -23.550 -4.382 1.00 0.00 C ATOM 1159 CD GLN A 79 -19.045 -22.317 -5.049 1.00 0.00 C ATOM 1160 OE1 GLN A 79 -18.729 -22.015 -6.201 1.00 0.00 O ATOM 1161 NE2 GLN A 79 -19.895 -21.596 -4.328 1.00 0.00 N ATOM 0 H GLN A 79 -15.813 -23.131 -1.178 1.00 0.00 H new ATOM 0 HA GLN A 79 -16.593 -25.069 -3.278 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -18.313 -23.390 -2.254 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -17.425 -22.161 -3.133 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -17.821 -24.071 -5.087 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -19.279 -24.234 -4.129 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -20.129 -21.883 -3.378 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -20.314 -20.755 -4.725 1.00 0.00 H new ATOM 1170 N ALA A 80 -15.082 -24.126 -5.011 1.00 0.00 N ATOM 1171 CA ALA A 80 -14.069 -23.684 -5.960 1.00 0.00 C ATOM 1172 C ALA A 80 -14.171 -24.456 -7.272 1.00 0.00 C ATOM 1173 O ALA A 80 -13.952 -25.667 -7.311 1.00 0.00 O ATOM 1174 CB ALA A 80 -12.679 -23.841 -5.360 1.00 0.00 C ATOM 0 H ALA A 80 -15.588 -24.965 -5.295 1.00 0.00 H new ATOM 0 HA ALA A 80 -14.243 -22.630 -6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.932 -23.507 -6.080 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.604 -23.240 -4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -12.504 -24.889 -5.116 1.00 0.00 H new ATOM 1180 N THR A 81 -14.505 -23.747 -8.345 1.00 0.00 N ATOM 1181 CA THR A 81 -14.639 -24.365 -9.658 1.00 0.00 C ATOM 1182 C THR A 81 -13.285 -24.489 -10.348 1.00 0.00 C ATOM 1183 O THR A 81 -12.908 -23.638 -11.152 1.00 0.00 O ATOM 1184 CB THR A 81 -15.591 -23.561 -10.564 1.00 0.00 C ATOM 1185 OG1 THR A 81 -15.306 -22.162 -10.455 1.00 0.00 O ATOM 1186 CG2 THR A 81 -17.042 -23.819 -10.187 1.00 0.00 C ATOM 0 H THR A 81 -14.688 -22.744 -8.331 1.00 0.00 H new ATOM 0 HA THR A 81 -15.055 -25.359 -9.497 1.00 0.00 H new ATOM 0 HB THR A 81 -15.436 -23.883 -11.594 1.00 0.00 H new ATOM 0 HG1 THR A 81 -14.353 -22.008 -10.623 1.00 0.00 H new ATOM 0 HG21 THR A 81 -17.696 -23.241 -10.840 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.264 -24.880 -10.299 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.207 -23.521 -9.152 1.00 0.00 H new ATOM 1194 N GLN A 82 -12.558 -25.555 -10.027 1.00 0.00 N ATOM 1195 CA GLN A 82 -11.245 -25.790 -10.616 1.00 0.00 C ATOM 1196 C GLN A 82 -11.174 -27.173 -11.254 1.00 0.00 C ATOM 1197 O GLN A 82 -10.404 -28.028 -10.818 1.00 0.00 O ATOM 1198 CB GLN A 82 -10.153 -25.647 -9.555 1.00 0.00 C ATOM 1199 CG GLN A 82 -10.433 -26.435 -8.285 1.00 0.00 C ATOM 1200 CD GLN A 82 -9.194 -27.115 -7.736 1.00 0.00 C ATOM 1201 OE1 GLN A 82 -8.071 -26.792 -8.124 1.00 0.00 O ATOM 1202 NE2 GLN A 82 -9.392 -28.063 -6.827 1.00 0.00 N ATOM 0 H GLN A 82 -12.856 -26.269 -9.363 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.085 -25.043 -11.394 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.203 -25.977 -9.976 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.040 -24.593 -9.301 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.841 -25.765 -7.528 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.195 -27.187 -8.489 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.340 -28.299 -6.534 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -8.596 -28.555 -6.422 1.00 0.00 H new ATOM 1211 N GLU A 83 -11.983 -27.386 -12.287 1.00 0.00 N ATOM 1212 CA GLU A 83 -12.011 -28.667 -12.983 1.00 0.00 C ATOM 1213 C GLU A 83 -11.433 -28.536 -14.389 1.00 0.00 C ATOM 1214 O GLU A 83 -11.968 -29.094 -15.347 1.00 0.00 O ATOM 1215 CB GLU A 83 -13.443 -29.201 -13.057 1.00 0.00 C ATOM 1216 CG GLU A 83 -13.529 -30.718 -13.041 1.00 0.00 C ATOM 1217 CD GLU A 83 -14.898 -31.229 -13.447 1.00 0.00 C ATOM 1218 OE1 GLU A 83 -15.256 -31.084 -14.635 1.00 0.00 O ATOM 1219 OE2 GLU A 83 -15.610 -31.774 -12.578 1.00 0.00 O ATOM 0 H GLU A 83 -12.627 -26.689 -12.660 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.397 -29.370 -12.420 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -14.013 -28.804 -12.217 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.914 -28.828 -13.967 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.777 -31.128 -13.716 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.292 -31.081 -12.041 1.00 0.00 H new ATOM 1226 N TYR A 84 -10.337 -27.794 -14.504 1.00 0.00 N ATOM 1227 CA TYR A 84 -9.687 -27.586 -15.793 1.00 0.00 C ATOM 1228 C TYR A 84 -8.565 -28.596 -16.006 1.00 0.00 C ATOM 1229 O TYR A 84 -8.286 -29.003 -17.134 1.00 0.00 O ATOM 1230 CB TYR A 84 -9.132 -26.163 -15.884 1.00 0.00 C ATOM 1231 CG TYR A 84 -8.017 -25.885 -14.901 1.00 0.00 C ATOM 1232 CD1 TYR A 84 -6.698 -26.193 -15.210 1.00 0.00 C ATOM 1233 CD2 TYR A 84 -8.282 -25.311 -13.664 1.00 0.00 C ATOM 1234 CE1 TYR A 84 -5.677 -25.941 -14.315 1.00 0.00 C ATOM 1235 CE2 TYR A 84 -7.267 -25.054 -12.763 1.00 0.00 C ATOM 1236 CZ TYR A 84 -5.966 -25.371 -13.093 1.00 0.00 C ATOM 1237 OH TYR A 84 -4.951 -25.117 -12.199 1.00 0.00 O ATOM 0 H TYR A 84 -9.880 -27.327 -13.721 1.00 0.00 H new ATOM 0 HA TYR A 84 -10.433 -27.729 -16.575 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -8.765 -25.989 -16.896 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -9.942 -25.454 -15.712 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.467 -26.637 -16.167 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -9.300 -25.061 -13.402 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -4.657 -26.189 -14.571 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.491 -24.607 -11.806 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.323 -24.713 -11.387 1.00 0.00 H new ATOM 1247 N SER A 85 -7.923 -28.998 -14.913 1.00 0.00 N ATOM 1248 CA SER A 85 -6.829 -29.959 -14.979 1.00 0.00 C ATOM 1249 C SER A 85 -7.352 -31.387 -14.861 1.00 0.00 C ATOM 1250 O SER A 85 -8.017 -31.739 -13.885 1.00 0.00 O ATOM 1251 CB SER A 85 -5.812 -29.683 -13.870 1.00 0.00 C ATOM 1252 OG SER A 85 -4.819 -30.693 -13.826 1.00 0.00 O ATOM 0 H SER A 85 -8.142 -28.673 -13.971 1.00 0.00 H new ATOM 0 HA SER A 85 -6.340 -29.849 -15.947 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.342 -28.714 -14.036 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.323 -29.629 -12.909 1.00 0.00 H new ATOM 0 HG SER A 85 -4.180 -30.493 -13.110 1.00 0.00 H new ATOM 1258 N LEU A 86 -7.047 -32.207 -15.861 1.00 0.00 N ATOM 1259 CA LEU A 86 -7.486 -33.598 -15.871 1.00 0.00 C ATOM 1260 C LEU A 86 -6.454 -34.499 -15.200 1.00 0.00 C ATOM 1261 O LEU A 86 -5.257 -34.393 -15.464 1.00 0.00 O ATOM 1262 CB LEU A 86 -7.731 -34.066 -17.307 1.00 0.00 C ATOM 1263 CG LEU A 86 -8.316 -35.470 -17.465 1.00 0.00 C ATOM 1264 CD1 LEU A 86 -9.776 -35.397 -17.882 1.00 0.00 C ATOM 1265 CD2 LEU A 86 -7.510 -36.273 -18.475 1.00 0.00 C ATOM 0 H LEU A 86 -6.497 -31.933 -16.675 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.418 -33.663 -15.310 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.404 -33.357 -17.789 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.785 -34.025 -17.847 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.260 -35.976 -16.501 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.175 -36.406 -17.989 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -10.345 -34.861 -17.122 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.857 -34.872 -18.834 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.941 -37.269 -18.575 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.533 -35.770 -19.442 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.478 -36.356 -18.134 1.00 0.00 H new ATOM 1277 N SER A 87 -6.928 -35.388 -14.332 1.00 0.00 N ATOM 1278 CA SER A 87 -6.046 -36.307 -13.622 1.00 0.00 C ATOM 1279 C SER A 87 -5.661 -37.486 -14.510 1.00 0.00 C ATOM 1280 O SER A 87 -6.521 -38.144 -15.095 1.00 0.00 O ATOM 1281 CB SER A 87 -6.724 -36.814 -12.347 1.00 0.00 C ATOM 1282 OG SER A 87 -8.071 -36.381 -12.279 1.00 0.00 O ATOM 0 H SER A 87 -7.917 -35.491 -14.104 1.00 0.00 H new ATOM 0 HA SER A 87 -5.139 -35.766 -13.353 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.687 -37.903 -12.320 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.179 -36.455 -11.474 1.00 0.00 H new ATOM 0 HG SER A 87 -8.603 -36.859 -12.949 1.00 0.00 H new ATOM 1288 N GLY A 88 -4.361 -37.748 -14.605 1.00 0.00 N ATOM 1289 CA GLY A 88 -3.884 -38.847 -15.424 1.00 0.00 C ATOM 1290 C GLY A 88 -2.540 -39.374 -14.960 1.00 0.00 C ATOM 1291 O GLY A 88 -1.527 -39.242 -15.647 1.00 0.00 O ATOM 0 H GLY A 88 -3.630 -37.219 -14.130 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.615 -39.655 -15.403 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.804 -38.516 -16.460 1.00 0.00 H new ATOM 1295 N PRO A 89 -2.521 -39.986 -13.767 1.00 0.00 N ATOM 1296 CA PRO A 89 -1.297 -40.546 -13.185 1.00 0.00 C ATOM 1297 C PRO A 89 -0.811 -41.781 -13.936 1.00 0.00 C ATOM 1298 O PRO A 89 -1.406 -42.854 -13.837 1.00 0.00 O ATOM 1299 CB PRO A 89 -1.720 -40.919 -11.761 1.00 0.00 C ATOM 1300 CG PRO A 89 -3.191 -41.137 -11.848 1.00 0.00 C ATOM 1301 CD PRO A 89 -3.691 -40.179 -12.894 1.00 0.00 C ATOM 0 HA PRO A 89 -0.466 -39.842 -13.227 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.206 -41.817 -11.418 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -1.479 -40.124 -11.055 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.417 -42.167 -12.123 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.671 -40.951 -10.887 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -4.538 -40.590 -13.443 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.022 -39.239 -12.453 1.00 0.00 H new ATOM 1309 N SER A 90 0.275 -41.622 -14.686 1.00 0.00 N ATOM 1310 CA SER A 90 0.840 -42.723 -15.456 1.00 0.00 C ATOM 1311 C SER A 90 2.219 -43.105 -14.928 1.00 0.00 C ATOM 1312 O SER A 90 3.221 -42.474 -15.264 1.00 0.00 O ATOM 1313 CB SER A 90 0.935 -42.343 -16.935 1.00 0.00 C ATOM 1314 OG SER A 90 -0.088 -41.430 -17.294 1.00 0.00 O ATOM 0 H SER A 90 0.781 -40.741 -14.776 1.00 0.00 H new ATOM 0 HA SER A 90 0.179 -43.583 -15.351 1.00 0.00 H new ATOM 0 HB2 SER A 90 1.910 -41.900 -17.138 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.858 -43.240 -17.550 1.00 0.00 H new ATOM 0 HG SER A 90 -0.004 -41.202 -18.243 1.00 0.00 H new ATOM 1320 N SER A 91 2.262 -44.143 -14.098 1.00 0.00 N ATOM 1321 CA SER A 91 3.517 -44.607 -13.519 1.00 0.00 C ATOM 1322 C SER A 91 4.206 -43.487 -12.747 1.00 0.00 C ATOM 1323 O SER A 91 5.409 -43.269 -12.888 1.00 0.00 O ATOM 1324 CB SER A 91 4.445 -45.133 -14.615 1.00 0.00 C ATOM 1325 OG SER A 91 4.058 -46.430 -15.033 1.00 0.00 O ATOM 0 H SER A 91 1.442 -44.678 -13.812 1.00 0.00 H new ATOM 0 HA SER A 91 3.291 -45.417 -12.825 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.428 -44.453 -15.467 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.471 -45.157 -14.247 1.00 0.00 H new ATOM 0 HG SER A 91 4.666 -46.742 -15.735 1.00 0.00 H new ATOM 1331 N GLY A 92 3.434 -42.778 -11.928 1.00 0.00 N ATOM 1332 CA GLY A 92 3.987 -41.688 -11.145 1.00 0.00 C ATOM 1333 C GLY A 92 4.625 -40.619 -12.009 1.00 0.00 C ATOM 1334 O GLY A 92 4.112 -40.339 -13.092 1.00 0.00 O ATOM 0 H GLY A 92 2.436 -42.939 -11.793 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.197 -41.240 -10.543 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.731 -42.083 -10.453 1.00 0.00 H new TER 1338 GLY A 92 HETATM 1339 ZN ZN A 201 16.270 -0.291 6.292 1.00 0.00 ZN HETATM 1340 ZN ZN A 401 2.181 0.787 2.982 1.00 0.00 ZN