USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 400 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 18 HIS HE2 : A 18 HIS NE2 : A 181 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 8 TYR OH : rot 180:sc= -0.295 USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.000648 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -128:sc= -1.08 (180deg=-3.12!) USER MOD Single : A 22 ASN :FLIP amide:sc= -1.26! C(o=-2!,f=-1.3!) USER MOD Single : A 25 THR OG1 : rot -92:sc= 0.788 USER MOD Single : A 26 ASN : amide:sc= -4.71! C(o=-4.7!,f=-9.8!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 159:sc= -0.0582 (180deg=-0.396) USER MOD Single : A 40 SER OG : rot 37:sc= 0.95 USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.00405 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -133:sc= 0 (180deg=-0.127) USER MOD Single : A 49 MET CE :methyl 172:sc=-0.00307 (180deg=-0.125) USER MOD Single : A 52 LYS NZ :NH3+ -106:sc= 0.339 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0961 K(o=-0.096,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.540 8.139 9.865 1.00 0.00 N ATOM 2 CA GLY A 1 -5.776 9.046 8.757 1.00 0.00 C ATOM 3 C GLY A 1 -7.232 9.451 8.639 1.00 0.00 C ATOM 4 O GLY A 1 -7.802 10.020 9.570 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.530 7.892 9.903 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.817 8.599 10.755 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.103 7.275 9.732 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.163 9.938 8.885 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.458 8.571 7.829 1.00 0.00 H new ATOM 8 N SER A 2 -7.835 9.160 7.491 1.00 0.00 N ATOM 9 CA SER A 2 -9.232 9.503 7.252 1.00 0.00 C ATOM 10 C SER A 2 -10.158 8.614 8.077 1.00 0.00 C ATOM 11 O SER A 2 -9.792 7.502 8.457 1.00 0.00 O ATOM 12 CB SER A 2 -9.566 9.367 5.766 1.00 0.00 C ATOM 13 OG SER A 2 -10.726 10.110 5.433 1.00 0.00 O ATOM 0 H SER A 2 -7.378 8.687 6.711 1.00 0.00 H new ATOM 0 HA SER A 2 -9.384 10.538 7.557 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.724 9.714 5.168 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.720 8.316 5.520 1.00 0.00 H new ATOM 0 HG SER A 2 -10.917 10.008 4.477 1.00 0.00 H new ATOM 19 N SER A 3 -11.360 9.112 8.348 1.00 0.00 N ATOM 20 CA SER A 3 -12.338 8.366 9.131 1.00 0.00 C ATOM 21 C SER A 3 -13.262 7.562 8.221 1.00 0.00 C ATOM 22 O SER A 3 -13.590 7.991 7.115 1.00 0.00 O ATOM 23 CB SER A 3 -13.161 9.318 10.000 1.00 0.00 C ATOM 24 OG SER A 3 -14.042 8.602 10.848 1.00 0.00 O ATOM 0 H SER A 3 -11.680 10.029 8.037 1.00 0.00 H new ATOM 0 HA SER A 3 -11.798 7.673 9.776 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.494 9.935 10.602 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.733 9.994 9.364 1.00 0.00 H new ATOM 0 HG SER A 3 -14.555 9.233 11.394 1.00 0.00 H new ATOM 30 N GLY A 4 -13.680 6.393 8.696 1.00 0.00 N ATOM 31 CA GLY A 4 -14.562 5.546 7.913 1.00 0.00 C ATOM 32 C GLY A 4 -13.854 4.326 7.360 1.00 0.00 C ATOM 33 O GLY A 4 -12.998 3.741 8.024 1.00 0.00 O ATOM 0 H GLY A 4 -13.424 6.017 9.609 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.399 5.226 8.534 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.979 6.125 7.089 1.00 0.00 H new ATOM 37 N SER A 5 -14.212 3.938 6.140 1.00 0.00 N ATOM 38 CA SER A 5 -13.609 2.775 5.499 1.00 0.00 C ATOM 39 C SER A 5 -12.746 3.195 4.314 1.00 0.00 C ATOM 40 O SER A 5 -13.138 4.047 3.517 1.00 0.00 O ATOM 41 CB SER A 5 -14.694 1.802 5.035 1.00 0.00 C ATOM 42 OG SER A 5 -14.153 0.517 4.783 1.00 0.00 O ATOM 0 H SER A 5 -14.917 4.412 5.575 1.00 0.00 H new ATOM 0 HA SER A 5 -12.973 2.276 6.231 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.471 1.730 5.796 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.167 2.184 4.131 1.00 0.00 H new ATOM 0 HG SER A 5 -14.867 -0.087 4.489 1.00 0.00 H new ATOM 48 N SER A 6 -11.567 2.590 4.204 1.00 0.00 N ATOM 49 CA SER A 6 -10.645 2.903 3.119 1.00 0.00 C ATOM 50 C SER A 6 -11.264 2.566 1.766 1.00 0.00 C ATOM 51 O SER A 6 -11.217 3.365 0.832 1.00 0.00 O ATOM 52 CB SER A 6 -9.334 2.135 3.298 1.00 0.00 C ATOM 53 OG SER A 6 -8.295 2.711 2.525 1.00 0.00 O ATOM 0 H SER A 6 -11.228 1.880 4.853 1.00 0.00 H new ATOM 0 HA SER A 6 -10.438 3.973 3.148 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.050 2.134 4.350 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.476 1.095 3.005 1.00 0.00 H new ATOM 0 HG SER A 6 -7.468 2.203 2.658 1.00 0.00 H new ATOM 59 N GLY A 7 -11.846 1.374 1.669 1.00 0.00 N ATOM 60 CA GLY A 7 -12.466 0.950 0.427 1.00 0.00 C ATOM 61 C GLY A 7 -12.893 -0.504 0.458 1.00 0.00 C ATOM 62 O GLY A 7 -13.564 -0.941 1.393 1.00 0.00 O ATOM 0 H GLY A 7 -11.899 0.695 2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.335 1.576 0.226 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.767 1.102 -0.395 1.00 0.00 H new ATOM 66 N TYR A 8 -12.504 -1.255 -0.566 1.00 0.00 N ATOM 67 CA TYR A 8 -12.854 -2.668 -0.654 1.00 0.00 C ATOM 68 C TYR A 8 -12.034 -3.366 -1.735 1.00 0.00 C ATOM 69 O TYR A 8 -11.411 -2.717 -2.576 1.00 0.00 O ATOM 70 CB TYR A 8 -14.346 -2.828 -0.947 1.00 0.00 C ATOM 71 CG TYR A 8 -14.678 -2.812 -2.423 1.00 0.00 C ATOM 72 CD1 TYR A 8 -14.441 -3.925 -3.220 1.00 0.00 C ATOM 73 CD2 TYR A 8 -15.228 -1.684 -3.019 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.742 -3.914 -4.568 1.00 0.00 C ATOM 75 CE2 TYR A 8 -15.534 -1.665 -4.366 1.00 0.00 C ATOM 76 CZ TYR A 8 -15.289 -2.783 -5.136 1.00 0.00 C ATOM 77 OH TYR A 8 -15.591 -2.768 -6.479 1.00 0.00 O ATOM 0 H TYR A 8 -11.946 -0.909 -1.347 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.627 -3.133 0.306 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.694 -3.766 -0.515 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.893 -2.026 -0.451 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.014 -4.813 -2.778 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -15.420 -0.807 -2.419 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.550 -4.787 -5.174 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -15.962 -0.780 -4.813 1.00 0.00 H new ATOM 0 HH TYR A 8 -15.970 -1.897 -6.719 1.00 0.00 H new ATOM 87 N THR A 9 -12.038 -4.695 -1.706 1.00 0.00 N ATOM 88 CA THR A 9 -11.295 -5.483 -2.681 1.00 0.00 C ATOM 89 C THR A 9 -12.040 -6.766 -3.033 1.00 0.00 C ATOM 90 O THR A 9 -12.810 -7.290 -2.227 1.00 0.00 O ATOM 91 CB THR A 9 -9.891 -5.843 -2.161 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.234 -4.669 -1.670 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.053 -6.478 -3.260 1.00 0.00 C ATOM 0 H THR A 9 -12.548 -5.248 -1.017 1.00 0.00 H new ATOM 0 HA THR A 9 -11.195 -4.867 -3.575 1.00 0.00 H new ATOM 0 HB THR A 9 -10.002 -6.562 -1.350 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.343 -4.907 -1.340 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.066 -6.724 -2.869 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.541 -7.388 -3.610 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.951 -5.779 -4.090 1.00 0.00 H new ATOM 101 N CYS A 10 -11.804 -7.269 -4.240 1.00 0.00 N ATOM 102 CA CYS A 10 -12.452 -8.492 -4.698 1.00 0.00 C ATOM 103 C CYS A 10 -12.251 -9.624 -3.695 1.00 0.00 C ATOM 104 O CYS A 10 -11.125 -10.057 -3.448 1.00 0.00 O ATOM 105 CB CYS A 10 -11.901 -8.904 -6.065 1.00 0.00 C ATOM 106 SG CYS A 10 -12.611 -10.450 -6.718 1.00 0.00 S ATOM 0 H CYS A 10 -11.169 -6.849 -4.918 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.520 -8.295 -4.787 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.089 -8.101 -6.778 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.819 -9.017 -5.990 1.00 0.00 H new ATOM 111 N PHE A 11 -13.350 -10.099 -3.118 1.00 0.00 N ATOM 112 CA PHE A 11 -13.295 -11.179 -2.141 1.00 0.00 C ATOM 113 C PHE A 11 -13.168 -12.533 -2.833 1.00 0.00 C ATOM 114 O PHE A 11 -13.124 -13.575 -2.179 1.00 0.00 O ATOM 115 CB PHE A 11 -14.545 -11.161 -1.258 1.00 0.00 C ATOM 116 CG PHE A 11 -14.459 -12.087 -0.078 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.442 -11.952 0.852 1.00 0.00 C ATOM 118 CD2 PHE A 11 -15.396 -13.091 0.100 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.360 -12.804 1.938 1.00 0.00 C ATOM 120 CE2 PHE A 11 -15.320 -13.946 1.184 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.301 -13.801 2.105 1.00 0.00 C ATOM 0 H PHE A 11 -14.290 -9.752 -3.311 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.415 -11.025 -1.517 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.713 -10.145 -0.901 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.411 -11.434 -1.862 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.705 -11.173 0.728 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.196 -13.208 -0.616 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -12.561 -12.690 2.655 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -16.056 -14.726 1.310 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.240 -14.466 2.954 1.00 0.00 H new ATOM 131 N ARG A 12 -13.111 -12.509 -4.161 1.00 0.00 N ATOM 132 CA ARG A 12 -12.991 -13.734 -4.943 1.00 0.00 C ATOM 133 C ARG A 12 -11.531 -14.163 -5.060 1.00 0.00 C ATOM 134 O ARG A 12 -11.138 -15.210 -4.546 1.00 0.00 O ATOM 135 CB ARG A 12 -13.589 -13.535 -6.337 1.00 0.00 C ATOM 136 CG ARG A 12 -14.049 -14.826 -6.992 1.00 0.00 C ATOM 137 CD ARG A 12 -14.954 -14.555 -8.183 1.00 0.00 C ATOM 138 NE ARG A 12 -15.171 -15.753 -8.990 1.00 0.00 N ATOM 139 CZ ARG A 12 -16.337 -16.062 -9.547 1.00 0.00 C ATOM 140 NH1 ARG A 12 -17.384 -15.265 -9.387 1.00 0.00 N ATOM 141 NH2 ARG A 12 -16.456 -17.170 -10.267 1.00 0.00 N ATOM 0 H ARG A 12 -13.146 -11.655 -4.718 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.543 -14.520 -4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.435 -12.852 -6.266 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.847 -13.057 -6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.181 -15.400 -7.316 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.580 -15.437 -6.262 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.914 -14.177 -7.830 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.513 -13.775 -8.804 1.00 0.00 H new ATOM 0 HE ARG A 12 -14.385 -16.387 -9.134 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -17.296 -14.412 -8.835 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -18.278 -15.505 -9.816 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.652 -17.785 -10.393 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -17.351 -17.407 -10.694 1.00 0.00 H new ATOM 155 N CYS A 13 -10.733 -13.347 -5.740 1.00 0.00 N ATOM 156 CA CYS A 13 -9.317 -13.641 -5.927 1.00 0.00 C ATOM 157 C CYS A 13 -8.462 -12.837 -4.953 1.00 0.00 C ATOM 158 O CYS A 13 -7.405 -13.292 -4.515 1.00 0.00 O ATOM 159 CB CYS A 13 -8.897 -13.335 -7.365 1.00 0.00 C ATOM 160 SG CYS A 13 -8.967 -11.568 -7.801 1.00 0.00 S ATOM 0 H CYS A 13 -11.043 -12.476 -6.171 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.162 -14.702 -5.729 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.880 -13.696 -7.520 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.540 -13.892 -8.046 1.00 0.00 H new ATOM 165 N GLY A 14 -8.926 -11.637 -4.617 1.00 0.00 N ATOM 166 CA GLY A 14 -8.192 -10.788 -3.697 1.00 0.00 C ATOM 167 C GLY A 14 -7.436 -9.682 -4.407 1.00 0.00 C ATOM 168 O GLY A 14 -6.316 -9.340 -4.025 1.00 0.00 O ATOM 0 H GLY A 14 -9.797 -11.238 -4.966 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.886 -10.348 -2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.490 -11.397 -3.127 1.00 0.00 H new ATOM 172 N LYS A 15 -8.048 -9.120 -5.444 1.00 0.00 N ATOM 173 CA LYS A 15 -7.428 -8.046 -6.210 1.00 0.00 C ATOM 174 C LYS A 15 -8.364 -6.848 -6.324 1.00 0.00 C ATOM 175 O LYS A 15 -9.536 -6.977 -6.679 1.00 0.00 O ATOM 176 CB LYS A 15 -7.045 -8.543 -7.606 1.00 0.00 C ATOM 177 CG LYS A 15 -5.899 -9.540 -7.604 1.00 0.00 C ATOM 178 CD LYS A 15 -4.556 -8.847 -7.757 1.00 0.00 C ATOM 179 CE LYS A 15 -4.161 -8.714 -9.220 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.695 -8.508 -9.383 1.00 0.00 N ATOM 0 H LYS A 15 -8.974 -9.391 -5.773 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.527 -7.731 -5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.917 -9.005 -8.070 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.771 -7.688 -8.224 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.912 -10.109 -6.674 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.035 -10.254 -8.416 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.601 -7.858 -7.300 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.791 -9.411 -7.222 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.464 -9.611 -9.761 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.697 -7.876 -9.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.467 -8.422 -10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.409 -7.639 -8.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.184 -9.319 -8.980 1.00 0.00 H new ATOM 194 N PRO A 16 -7.837 -5.653 -6.018 1.00 0.00 N ATOM 195 CA PRO A 16 -8.609 -4.408 -6.081 1.00 0.00 C ATOM 196 C PRO A 16 -8.941 -4.004 -7.513 1.00 0.00 C ATOM 197 O PRO A 16 -8.597 -4.706 -8.462 1.00 0.00 O ATOM 198 CB PRO A 16 -7.675 -3.379 -5.438 1.00 0.00 C ATOM 199 CG PRO A 16 -6.306 -3.929 -5.644 1.00 0.00 C ATOM 200 CD PRO A 16 -6.448 -5.425 -5.587 1.00 0.00 C ATOM 0 HA PRO A 16 -9.573 -4.500 -5.581 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.783 -2.400 -5.905 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.895 -3.252 -4.378 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.898 -3.612 -6.604 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.622 -3.572 -4.874 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.736 -5.922 -6.246 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.271 -5.807 -4.582 1.00 0.00 H new ATOM 208 N GLY A 17 -9.613 -2.866 -7.661 1.00 0.00 N ATOM 209 CA GLY A 17 -9.981 -2.388 -8.981 1.00 0.00 C ATOM 210 C GLY A 17 -11.312 -2.942 -9.449 1.00 0.00 C ATOM 211 O GLY A 17 -12.071 -2.257 -10.135 1.00 0.00 O ATOM 0 H GLY A 17 -9.909 -2.267 -6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.028 -1.299 -8.969 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.205 -2.666 -9.694 1.00 0.00 H new ATOM 215 N HIS A 18 -11.596 -4.187 -9.078 1.00 0.00 N ATOM 216 CA HIS A 18 -12.845 -4.833 -9.465 1.00 0.00 C ATOM 217 C HIS A 18 -13.491 -5.527 -8.270 1.00 0.00 C ATOM 218 O HIS A 18 -12.853 -5.727 -7.236 1.00 0.00 O ATOM 219 CB HIS A 18 -12.595 -5.846 -10.583 1.00 0.00 C ATOM 220 CG HIS A 18 -11.828 -7.053 -10.137 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.451 -7.121 -10.162 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.253 -8.243 -9.652 1.00 0.00 C ATOM 223 CE1 HIS A 18 -10.062 -8.301 -9.712 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.137 -9.000 -9.396 1.00 0.00 N ATOM 0 H HIS A 18 -10.979 -4.768 -8.511 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.526 -4.063 -9.828 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.553 -6.166 -10.993 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.050 -5.357 -11.390 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.830 -6.377 -10.478 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.279 -8.541 -9.496 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.040 -8.636 -9.619 1.00 0.00 H new ATOM 232 N TYR A 19 -14.760 -5.891 -8.418 1.00 0.00 N ATOM 233 CA TYR A 19 -15.493 -6.559 -7.349 1.00 0.00 C ATOM 234 C TYR A 19 -15.695 -8.037 -7.669 1.00 0.00 C ATOM 235 O TYR A 19 -15.627 -8.448 -8.827 1.00 0.00 O ATOM 236 CB TYR A 19 -16.848 -5.883 -7.132 1.00 0.00 C ATOM 237 CG TYR A 19 -17.394 -5.209 -8.370 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.742 -4.120 -8.937 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.562 -5.659 -8.973 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.237 -3.500 -10.068 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.064 -5.046 -10.105 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.398 -3.968 -10.648 1.00 0.00 C ATOM 243 OH TYR A 19 -18.896 -3.354 -11.775 1.00 0.00 O ATOM 0 H TYR A 19 -15.302 -5.735 -9.268 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.905 -6.481 -6.435 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.565 -6.628 -6.788 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.752 -5.143 -6.338 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.833 -3.752 -8.485 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.087 -6.503 -8.550 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.718 -2.654 -10.495 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.973 -5.409 -10.562 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.718 -3.806 -12.058 1.00 0.00 H new ATOM 253 N ILE A 20 -15.945 -8.830 -6.633 1.00 0.00 N ATOM 254 CA ILE A 20 -16.159 -10.262 -6.802 1.00 0.00 C ATOM 255 C ILE A 20 -17.177 -10.540 -7.902 1.00 0.00 C ATOM 256 O ILE A 20 -17.110 -11.564 -8.582 1.00 0.00 O ATOM 257 CB ILE A 20 -16.641 -10.918 -5.494 1.00 0.00 C ATOM 258 CG1 ILE A 20 -17.024 -12.378 -5.742 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.818 -10.146 -4.917 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.891 -13.254 -4.516 1.00 0.00 C ATOM 0 H ILE A 20 -16.004 -8.505 -5.668 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.198 -10.693 -7.082 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.826 -10.894 -4.770 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.053 -12.420 -6.098 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.395 -12.780 -6.536 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.147 -10.622 -3.993 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.513 -9.120 -4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.638 -10.142 -5.635 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.179 -14.275 -4.766 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.857 -13.243 -4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.541 -12.876 -3.727 1.00 0.00 H new ATOM 272 N LYS A 21 -18.120 -9.619 -8.074 1.00 0.00 N ATOM 273 CA LYS A 21 -19.152 -9.761 -9.094 1.00 0.00 C ATOM 274 C LYS A 21 -18.602 -9.420 -10.475 1.00 0.00 C ATOM 275 O LYS A 21 -19.011 -10.005 -11.478 1.00 0.00 O ATOM 276 CB LYS A 21 -20.345 -8.858 -8.771 1.00 0.00 C ATOM 277 CG LYS A 21 -20.492 -8.551 -7.291 1.00 0.00 C ATOM 278 CD LYS A 21 -21.888 -8.049 -6.962 1.00 0.00 C ATOM 279 CE LYS A 21 -22.913 -9.172 -7.024 1.00 0.00 C ATOM 280 NZ LYS A 21 -23.506 -9.305 -8.384 1.00 0.00 N ATOM 0 H LYS A 21 -18.190 -8.766 -7.519 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.482 -10.800 -9.100 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.240 -7.922 -9.319 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.258 -9.335 -9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -20.281 -9.448 -6.710 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.757 -7.801 -6.999 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -21.891 -7.606 -5.966 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -22.167 -7.261 -7.662 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.440 -10.112 -6.740 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -23.705 -8.982 -6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -24.544 -9.296 -8.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -23.193 -8.511 -8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.196 -10.201 -8.812 1.00 0.00 H new ATOM 294 N ASN A 22 -17.672 -8.472 -10.520 1.00 0.00 N ATOM 295 CA ASN A 22 -17.065 -8.055 -11.779 1.00 0.00 C ATOM 296 C ASN A 22 -15.684 -8.680 -11.951 1.00 0.00 C ATOM 297 O ASN A 22 -14.877 -8.218 -12.758 1.00 0.00 O ATOM 298 CB ASN A 22 -16.958 -6.530 -11.836 1.00 0.00 C ATOM 299 CG ASN A 22 -16.186 -6.050 -13.051 1.00 0.00 C ATOM 300 OD1 ASN A 22 -15.101 -5.323 -12.813 1.00 0.00 O flip ATOM 301 ND2 ASN A 22 -16.562 -6.330 -14.189 1.00 0.00 N flip ATOM 0 H ASN A 22 -17.322 -7.978 -9.699 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.703 -8.399 -12.593 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.959 -6.098 -11.851 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.468 -6.169 -10.932 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -17.402 -6.892 -14.325 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -16.033 -6.000 -14.996 1.00 0.00 H new ATOM 308 N CYS A 23 -15.419 -9.735 -11.188 1.00 0.00 N ATOM 309 CA CYS A 23 -14.136 -10.425 -11.255 1.00 0.00 C ATOM 310 C CYS A 23 -13.994 -11.182 -12.572 1.00 0.00 C ATOM 311 O CYS A 23 -14.909 -11.873 -13.021 1.00 0.00 O ATOM 312 CB CYS A 23 -13.993 -11.394 -10.079 1.00 0.00 C ATOM 313 SG CYS A 23 -12.310 -12.058 -9.864 1.00 0.00 S ATOM 0 H CYS A 23 -16.076 -10.131 -10.516 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.345 -9.677 -11.199 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -14.291 -10.884 -9.163 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.685 -12.225 -10.220 1.00 0.00 H new ATOM 318 N PRO A 24 -12.820 -11.049 -13.207 1.00 0.00 N ATOM 319 CA PRO A 24 -12.529 -11.713 -14.481 1.00 0.00 C ATOM 320 C PRO A 24 -12.388 -13.224 -14.328 1.00 0.00 C ATOM 321 O PRO A 24 -12.958 -13.993 -15.102 1.00 0.00 O ATOM 322 CB PRO A 24 -11.198 -11.092 -14.909 1.00 0.00 C ATOM 323 CG PRO A 24 -10.559 -10.651 -13.637 1.00 0.00 C ATOM 324 CD PRO A 24 -11.685 -10.241 -12.729 1.00 0.00 C ATOM 0 HA PRO A 24 -13.332 -11.575 -15.205 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.575 -11.815 -15.435 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.353 -10.252 -15.586 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.974 -11.457 -13.194 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.876 -9.820 -13.811 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.455 -10.450 -11.684 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.892 -9.173 -12.803 1.00 0.00 H new ATOM 332 N THR A 25 -11.624 -13.644 -13.324 1.00 0.00 N ATOM 333 CA THR A 25 -11.407 -15.062 -13.070 1.00 0.00 C ATOM 334 C THR A 25 -12.642 -15.881 -13.430 1.00 0.00 C ATOM 335 O THR A 25 -12.534 -16.976 -13.980 1.00 0.00 O ATOM 336 CB THR A 25 -11.047 -15.320 -11.595 1.00 0.00 C ATOM 337 OG1 THR A 25 -12.221 -15.227 -10.780 1.00 0.00 O ATOM 338 CG2 THR A 25 -10.006 -14.323 -11.109 1.00 0.00 C ATOM 0 H THR A 25 -11.145 -13.021 -12.673 1.00 0.00 H new ATOM 0 HA THR A 25 -10.573 -15.371 -13.700 1.00 0.00 H new ATOM 0 HB THR A 25 -10.630 -16.324 -11.517 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.316 -14.310 -10.447 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.768 -14.525 -10.065 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.103 -14.417 -11.712 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.400 -13.311 -11.202 1.00 0.00 H new ATOM 346 N ASN A 26 -13.816 -15.341 -13.118 1.00 0.00 N ATOM 347 CA ASN A 26 -15.072 -16.022 -13.409 1.00 0.00 C ATOM 348 C ASN A 26 -14.961 -16.842 -14.691 1.00 0.00 C ATOM 349 O ASN A 26 -15.259 -18.036 -14.704 1.00 0.00 O ATOM 350 CB ASN A 26 -16.209 -15.006 -13.537 1.00 0.00 C ATOM 351 CG ASN A 26 -16.850 -14.685 -12.201 1.00 0.00 C ATOM 352 OD1 ASN A 26 -17.867 -15.273 -11.831 1.00 0.00 O ATOM 353 ND2 ASN A 26 -16.258 -13.748 -11.470 1.00 0.00 N ATOM 0 H ASN A 26 -13.923 -14.434 -12.664 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.290 -16.699 -12.583 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.824 -14.088 -13.982 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -16.967 -15.396 -14.216 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -16.645 -13.489 -10.562 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -15.417 -13.287 -11.816 1.00 0.00 H new ATOM 360 N GLY A 27 -14.530 -16.193 -15.768 1.00 0.00 N ATOM 361 CA GLY A 27 -14.387 -16.877 -17.039 1.00 0.00 C ATOM 362 C GLY A 27 -12.990 -17.429 -17.247 1.00 0.00 C ATOM 363 O GLY A 27 -12.405 -17.268 -18.318 1.00 0.00 O ATOM 0 H GLY A 27 -14.277 -15.205 -15.783 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.108 -17.693 -17.092 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.626 -16.187 -17.848 1.00 0.00 H new ATOM 367 N ASP A 28 -12.454 -18.080 -16.220 1.00 0.00 N ATOM 368 CA ASP A 28 -11.117 -18.657 -16.295 1.00 0.00 C ATOM 369 C ASP A 28 -11.174 -20.177 -16.178 1.00 0.00 C ATOM 370 O ASP A 28 -12.244 -20.757 -15.994 1.00 0.00 O ATOM 371 CB ASP A 28 -10.228 -18.081 -15.192 1.00 0.00 C ATOM 372 CG ASP A 28 -10.589 -18.614 -13.819 1.00 0.00 C ATOM 373 OD1 ASP A 28 -11.609 -19.327 -13.709 1.00 0.00 O ATOM 374 OD2 ASP A 28 -9.852 -18.318 -12.856 1.00 0.00 O ATOM 0 H ASP A 28 -12.925 -18.221 -15.326 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.691 -18.401 -17.265 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.186 -18.318 -15.408 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.314 -16.994 -15.191 1.00 0.00 H new ATOM 379 N LYS A 29 -10.014 -20.817 -16.286 1.00 0.00 N ATOM 380 CA LYS A 29 -9.930 -22.270 -16.193 1.00 0.00 C ATOM 381 C LYS A 29 -8.675 -22.694 -15.437 1.00 0.00 C ATOM 382 O LYS A 29 -7.588 -22.171 -15.677 1.00 0.00 O ATOM 383 CB LYS A 29 -9.933 -22.892 -17.590 1.00 0.00 C ATOM 384 CG LYS A 29 -11.291 -22.860 -18.269 1.00 0.00 C ATOM 385 CD LYS A 29 -11.478 -21.590 -19.082 1.00 0.00 C ATOM 386 CE LYS A 29 -12.681 -21.693 -20.008 1.00 0.00 C ATOM 387 NZ LYS A 29 -12.332 -22.349 -21.298 1.00 0.00 N ATOM 0 H LYS A 29 -9.119 -20.352 -16.438 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.801 -22.626 -15.643 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.212 -22.365 -18.214 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.597 -23.926 -17.518 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.394 -23.728 -18.920 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.077 -22.931 -17.517 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.607 -20.742 -18.410 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.580 -21.397 -19.670 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.472 -22.259 -19.515 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.076 -20.696 -20.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.178 -22.400 -21.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.595 -21.796 -21.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.979 -23.310 -21.114 1.00 0.00 H new ATOM 401 N ASN A 30 -8.833 -23.647 -14.524 1.00 0.00 N ATOM 402 CA ASN A 30 -7.712 -24.143 -13.735 1.00 0.00 C ATOM 403 C ASN A 30 -7.008 -22.999 -13.012 1.00 0.00 C ATOM 404 O ASN A 30 -5.780 -22.966 -12.927 1.00 0.00 O ATOM 405 CB ASN A 30 -6.718 -24.884 -14.631 1.00 0.00 C ATOM 406 CG ASN A 30 -7.101 -26.335 -14.844 1.00 0.00 C ATOM 407 OD1 ASN A 30 -8.264 -26.710 -14.694 1.00 0.00 O ATOM 408 ND2 ASN A 30 -6.122 -27.160 -15.195 1.00 0.00 N ATOM 0 H ASN A 30 -9.727 -24.091 -14.313 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.103 -24.835 -12.989 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.659 -24.381 -15.596 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.725 -24.835 -14.185 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -6.320 -28.148 -15.352 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.172 -26.806 -15.308 1.00 0.00 H new ATOM 415 N PHE A 31 -7.793 -22.061 -12.493 1.00 0.00 N ATOM 416 CA PHE A 31 -7.246 -20.915 -11.777 1.00 0.00 C ATOM 417 C PHE A 31 -8.213 -20.433 -10.700 1.00 0.00 C ATOM 418 O PHE A 31 -9.227 -19.804 -10.999 1.00 0.00 O ATOM 419 CB PHE A 31 -6.943 -19.776 -12.753 1.00 0.00 C ATOM 420 CG PHE A 31 -5.803 -18.900 -12.316 1.00 0.00 C ATOM 421 CD1 PHE A 31 -4.496 -19.353 -12.391 1.00 0.00 C ATOM 422 CD2 PHE A 31 -6.039 -17.624 -11.831 1.00 0.00 C ATOM 423 CE1 PHE A 31 -3.445 -18.549 -11.991 1.00 0.00 C ATOM 424 CE2 PHE A 31 -4.992 -16.816 -11.430 1.00 0.00 C ATOM 425 CZ PHE A 31 -3.694 -17.280 -11.508 1.00 0.00 C ATOM 0 H PHE A 31 -8.811 -22.072 -12.555 1.00 0.00 H new ATOM 0 HA PHE A 31 -6.320 -21.228 -11.294 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.712 -20.198 -13.731 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.837 -19.163 -12.873 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.296 -20.346 -12.766 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.052 -17.257 -11.766 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.430 -18.913 -12.056 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.189 -15.822 -11.056 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.875 -16.651 -11.192 1.00 0.00 H new ATOM 435 N GLU A 32 -7.891 -20.735 -9.446 1.00 0.00 N ATOM 436 CA GLU A 32 -8.732 -20.334 -8.324 1.00 0.00 C ATOM 437 C GLU A 32 -8.213 -19.048 -7.687 1.00 0.00 C ATOM 438 O GLU A 32 -8.891 -18.020 -7.696 1.00 0.00 O ATOM 439 CB GLU A 32 -8.788 -21.448 -7.277 1.00 0.00 C ATOM 440 CG GLU A 32 -9.855 -22.493 -7.557 1.00 0.00 C ATOM 441 CD GLU A 32 -9.685 -23.741 -6.712 1.00 0.00 C ATOM 442 OE1 GLU A 32 -8.688 -24.464 -6.916 1.00 0.00 O ATOM 443 OE2 GLU A 32 -10.550 -23.993 -5.847 1.00 0.00 O ATOM 0 H GLU A 32 -7.055 -21.256 -9.182 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.737 -20.151 -8.704 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.816 -21.938 -7.228 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.972 -21.006 -6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.838 -22.062 -7.369 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.823 -22.766 -8.612 1.00 0.00 H new ATOM 450 N SER A 33 -7.005 -19.113 -7.135 1.00 0.00 N ATOM 451 CA SER A 33 -6.396 -17.956 -6.489 1.00 0.00 C ATOM 452 C SER A 33 -5.131 -17.527 -7.225 1.00 0.00 C ATOM 453 O SER A 33 -4.849 -16.337 -7.356 1.00 0.00 O ATOM 454 CB SER A 33 -6.067 -18.275 -5.029 1.00 0.00 C ATOM 455 OG SER A 33 -5.292 -17.243 -4.445 1.00 0.00 O ATOM 0 H SER A 33 -6.429 -19.955 -7.122 1.00 0.00 H new ATOM 0 HA SER A 33 -7.111 -17.134 -6.522 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.990 -18.405 -4.465 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.524 -19.218 -4.973 1.00 0.00 H new ATOM 0 HG SER A 33 -5.096 -17.469 -3.512 1.00 0.00 H new ATOM 461 N GLY A 34 -4.372 -18.507 -7.706 1.00 0.00 N ATOM 462 CA GLY A 34 -3.145 -18.212 -8.423 1.00 0.00 C ATOM 463 C GLY A 34 -2.040 -17.726 -7.506 1.00 0.00 C ATOM 464 O GLY A 34 -2.288 -17.249 -6.398 1.00 0.00 O ATOM 0 H GLY A 34 -4.585 -19.500 -7.612 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.810 -19.107 -8.948 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.344 -17.454 -9.181 1.00 0.00 H new ATOM 468 N PRO A 35 -0.787 -17.846 -7.968 1.00 0.00 N ATOM 469 CA PRO A 35 0.385 -17.422 -7.197 1.00 0.00 C ATOM 470 C PRO A 35 0.475 -15.905 -7.066 1.00 0.00 C ATOM 471 O PRO A 35 0.391 -15.181 -8.057 1.00 0.00 O ATOM 472 CB PRO A 35 1.562 -17.958 -8.017 1.00 0.00 C ATOM 473 CG PRO A 35 1.040 -18.058 -9.408 1.00 0.00 C ATOM 474 CD PRO A 35 -0.417 -18.405 -9.280 1.00 0.00 C ATOM 0 HA PRO A 35 0.356 -17.795 -6.173 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.420 -17.288 -7.963 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.893 -18.929 -7.647 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.171 -17.117 -9.943 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.575 -18.822 -9.972 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -1.007 -17.966 -10.085 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.578 -19.482 -9.318 1.00 0.00 H new ATOM 482 N ARG A 36 0.647 -15.432 -5.836 1.00 0.00 N ATOM 483 CA ARG A 36 0.747 -14.001 -5.575 1.00 0.00 C ATOM 484 C ARG A 36 2.164 -13.499 -5.835 1.00 0.00 C ATOM 485 O ARG A 36 3.139 -14.208 -5.588 1.00 0.00 O ATOM 486 CB ARG A 36 0.342 -13.694 -4.132 1.00 0.00 C ATOM 487 CG ARG A 36 -1.145 -13.860 -3.868 1.00 0.00 C ATOM 488 CD ARG A 36 -1.592 -13.045 -2.664 1.00 0.00 C ATOM 489 NE ARG A 36 -1.374 -13.759 -1.409 1.00 0.00 N ATOM 490 CZ ARG A 36 -1.209 -13.154 -0.238 1.00 0.00 C ATOM 491 NH1 ARG A 36 -1.236 -11.830 -0.162 1.00 0.00 N ATOM 492 NH2 ARG A 36 -1.016 -13.873 0.861 1.00 0.00 N ATOM 0 H ARG A 36 0.720 -16.019 -5.005 1.00 0.00 H new ATOM 0 HA ARG A 36 0.067 -13.485 -6.253 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.897 -14.349 -3.461 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.633 -12.671 -3.892 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.709 -13.550 -4.748 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.370 -14.913 -3.700 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.048 -12.101 -2.643 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.650 -12.801 -2.764 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.347 -14.778 -1.433 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.384 -11.274 -1.004 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.109 -11.368 0.739 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.994 -14.891 0.807 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.889 -13.407 1.760 1.00 0.00 H new ATOM 506 N ILE A 37 2.269 -12.272 -6.335 1.00 0.00 N ATOM 507 CA ILE A 37 3.566 -11.676 -6.628 1.00 0.00 C ATOM 508 C ILE A 37 4.066 -10.842 -5.453 1.00 0.00 C ATOM 509 O ILE A 37 3.275 -10.275 -4.699 1.00 0.00 O ATOM 510 CB ILE A 37 3.507 -10.788 -7.885 1.00 0.00 C ATOM 511 CG1 ILE A 37 4.916 -10.366 -8.306 1.00 0.00 C ATOM 512 CG2 ILE A 37 2.637 -9.566 -7.630 1.00 0.00 C ATOM 513 CD1 ILE A 37 5.692 -11.462 -9.003 1.00 0.00 C ATOM 0 H ILE A 37 1.472 -11.672 -6.545 1.00 0.00 H new ATOM 0 HA ILE A 37 4.258 -12.499 -6.807 1.00 0.00 H new ATOM 0 HB ILE A 37 3.063 -11.364 -8.697 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.845 -9.504 -8.969 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.469 -10.045 -7.423 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.605 -8.948 -8.528 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.627 -9.886 -7.373 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.055 -8.987 -6.806 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.681 -11.092 -9.273 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.794 -12.317 -8.335 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.161 -11.767 -9.904 1.00 0.00 H new ATOM 525 N LYS A 38 5.384 -10.769 -5.304 1.00 0.00 N ATOM 526 CA LYS A 38 5.991 -10.001 -4.224 1.00 0.00 C ATOM 527 C LYS A 38 6.092 -8.525 -4.594 1.00 0.00 C ATOM 528 O LYS A 38 5.657 -7.654 -3.840 1.00 0.00 O ATOM 529 CB LYS A 38 7.382 -10.552 -3.898 1.00 0.00 C ATOM 530 CG LYS A 38 8.013 -9.921 -2.669 1.00 0.00 C ATOM 531 CD LYS A 38 9.504 -10.205 -2.601 1.00 0.00 C ATOM 532 CE LYS A 38 10.057 -9.947 -1.207 1.00 0.00 C ATOM 533 NZ LYS A 38 10.213 -8.492 -0.932 1.00 0.00 N ATOM 0 H LYS A 38 6.053 -11.233 -5.918 1.00 0.00 H new ATOM 0 HA LYS A 38 5.354 -10.094 -3.344 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.311 -11.629 -3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.037 -10.393 -4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.847 -8.844 -2.686 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.527 -10.304 -1.772 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.691 -11.241 -2.882 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.028 -9.579 -3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.391 -10.387 -0.465 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.023 -10.442 -1.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.592 -8.359 0.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.868 -8.076 -1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.288 -8.023 -1.007 1.00 0.00 H new ATOM 547 N LYS A 39 6.666 -8.250 -5.761 1.00 0.00 N ATOM 548 CA LYS A 39 6.821 -6.880 -6.234 1.00 0.00 C ATOM 549 C LYS A 39 5.468 -6.185 -6.340 1.00 0.00 C ATOM 550 O LYS A 39 4.644 -6.535 -7.185 1.00 0.00 O ATOM 551 CB LYS A 39 7.523 -6.864 -7.593 1.00 0.00 C ATOM 552 CG LYS A 39 7.814 -5.467 -8.112 1.00 0.00 C ATOM 553 CD LYS A 39 8.985 -4.833 -7.380 1.00 0.00 C ATOM 554 CE LYS A 39 10.315 -5.359 -7.897 1.00 0.00 C ATOM 555 NZ LYS A 39 10.564 -4.948 -9.306 1.00 0.00 N ATOM 0 H LYS A 39 7.032 -8.959 -6.397 1.00 0.00 H new ATOM 0 HA LYS A 39 7.432 -6.339 -5.511 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.460 -7.416 -7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.903 -7.390 -8.319 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.032 -5.512 -9.179 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.929 -4.842 -7.994 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.949 -3.750 -7.501 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.902 -5.037 -6.312 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.122 -4.991 -7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.327 -6.447 -7.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.583 -5.003 -9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.048 -5.582 -9.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.235 -3.971 -9.446 1.00 0.00 H new ATOM 569 N SER A 40 5.246 -5.196 -5.479 1.00 0.00 N ATOM 570 CA SER A 40 3.991 -4.453 -5.476 1.00 0.00 C ATOM 571 C SER A 40 3.839 -3.637 -6.755 1.00 0.00 C ATOM 572 O SER A 40 4.617 -2.718 -7.016 1.00 0.00 O ATOM 573 CB SER A 40 3.924 -3.530 -4.257 1.00 0.00 C ATOM 574 OG SER A 40 4.791 -2.420 -4.410 1.00 0.00 O ATOM 0 H SER A 40 5.918 -4.891 -4.775 1.00 0.00 H new ATOM 0 HA SER A 40 3.172 -5.171 -5.425 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.901 -3.180 -4.118 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.195 -4.087 -3.360 1.00 0.00 H new ATOM 0 HG SER A 40 4.793 -2.133 -5.347 1.00 0.00 H new ATOM 580 N THR A 41 2.832 -3.979 -7.553 1.00 0.00 N ATOM 581 CA THR A 41 2.577 -3.280 -8.806 1.00 0.00 C ATOM 582 C THR A 41 1.878 -1.948 -8.560 1.00 0.00 C ATOM 583 O THR A 41 2.296 -0.912 -9.075 1.00 0.00 O ATOM 584 CB THR A 41 1.717 -4.130 -9.759 1.00 0.00 C ATOM 585 OG1 THR A 41 0.540 -4.586 -9.082 1.00 0.00 O ATOM 586 CG2 THR A 41 2.504 -5.324 -10.278 1.00 0.00 C ATOM 0 H THR A 41 2.179 -4.737 -7.353 1.00 0.00 H new ATOM 0 HA THR A 41 3.547 -3.098 -9.269 1.00 0.00 H new ATOM 0 HB THR A 41 1.430 -3.508 -10.607 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.002 -5.124 -9.695 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.876 -5.910 -10.949 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.384 -4.973 -10.818 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.817 -5.946 -9.439 1.00 0.00 H new ATOM 594 N GLY A 42 0.810 -1.982 -7.769 1.00 0.00 N ATOM 595 CA GLY A 42 0.070 -0.770 -7.469 1.00 0.00 C ATOM 596 C GLY A 42 -0.986 -0.463 -8.512 1.00 0.00 C ATOM 597 O GLY A 42 -2.097 -0.991 -8.454 1.00 0.00 O ATOM 0 H GLY A 42 0.444 -2.827 -7.331 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.406 -0.870 -6.493 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.764 0.068 -7.401 1.00 0.00 H new ATOM 601 N ILE A 43 -0.641 0.395 -9.466 1.00 0.00 N ATOM 602 CA ILE A 43 -1.568 0.773 -10.525 1.00 0.00 C ATOM 603 C ILE A 43 -1.728 -0.352 -11.542 1.00 0.00 C ATOM 604 O ILE A 43 -0.797 -1.108 -11.820 1.00 0.00 O ATOM 605 CB ILE A 43 -1.102 2.046 -11.254 1.00 0.00 C ATOM 606 CG1 ILE A 43 0.302 1.846 -11.828 1.00 0.00 C ATOM 607 CG2 ILE A 43 -1.128 3.238 -10.309 1.00 0.00 C ATOM 608 CD1 ILE A 43 0.305 1.350 -13.258 1.00 0.00 C ATOM 0 H ILE A 43 0.274 0.842 -9.527 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.528 0.969 -10.048 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.787 2.246 -12.078 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.844 2.790 -11.778 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.843 1.135 -11.204 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.796 4.130 -10.840 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.143 3.390 -9.943 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.463 3.049 -9.466 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.333 1.231 -13.600 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.209 0.390 -13.311 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.207 2.071 -13.894 1.00 0.00 H new ATOM 620 N PRO A 44 -2.937 -0.466 -12.113 1.00 0.00 N ATOM 621 CA PRO A 44 -3.247 -1.495 -13.110 1.00 0.00 C ATOM 622 C PRO A 44 -2.536 -1.249 -14.436 1.00 0.00 C ATOM 623 O PRO A 44 -1.678 -0.372 -14.538 1.00 0.00 O ATOM 624 CB PRO A 44 -4.763 -1.373 -13.286 1.00 0.00 C ATOM 625 CG PRO A 44 -5.076 0.033 -12.906 1.00 0.00 C ATOM 626 CD PRO A 44 -4.093 0.400 -11.828 1.00 0.00 C ATOM 0 HA PRO A 44 -2.919 -2.484 -12.790 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.060 -1.581 -14.314 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.294 -2.082 -12.651 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.981 0.699 -13.764 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.101 0.121 -12.546 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.825 1.456 -11.871 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.499 0.214 -10.834 1.00 0.00 H new ATOM 634 N ARG A 45 -2.898 -2.029 -15.450 1.00 0.00 N ATOM 635 CA ARG A 45 -2.293 -1.896 -16.770 1.00 0.00 C ATOM 636 C ARG A 45 -1.945 -0.440 -17.065 1.00 0.00 C ATOM 637 O ARG A 45 -0.907 -0.147 -17.658 1.00 0.00 O ATOM 638 CB ARG A 45 -3.241 -2.433 -17.845 1.00 0.00 C ATOM 639 CG ARG A 45 -4.641 -1.847 -17.770 1.00 0.00 C ATOM 640 CD ARG A 45 -5.408 -2.069 -19.064 1.00 0.00 C ATOM 641 NE ARG A 45 -6.491 -1.105 -19.231 1.00 0.00 N ATOM 642 CZ ARG A 45 -7.105 -0.881 -20.388 1.00 0.00 C ATOM 643 NH1 ARG A 45 -6.743 -1.551 -21.474 1.00 0.00 N ATOM 644 NH2 ARG A 45 -8.083 0.012 -20.461 1.00 0.00 N ATOM 0 H ARG A 45 -3.607 -2.759 -15.382 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.373 -2.480 -16.781 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.820 -2.221 -18.828 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.305 -3.517 -17.753 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.183 -2.303 -16.942 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -4.579 -0.779 -17.561 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.723 -1.994 -19.909 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.817 -3.079 -19.074 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.793 -0.574 -18.414 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.992 -2.239 -21.422 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.215 -1.378 -22.361 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.365 0.528 -19.628 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.553 0.182 -21.350 1.00 0.00 H new ATOM 658 N SER A 46 -2.821 0.469 -16.646 1.00 0.00 N ATOM 659 CA SER A 46 -2.608 1.894 -16.869 1.00 0.00 C ATOM 660 C SER A 46 -2.781 2.678 -15.571 1.00 0.00 C ATOM 661 O SER A 46 -3.679 2.397 -14.777 1.00 0.00 O ATOM 662 CB SER A 46 -3.581 2.417 -17.927 1.00 0.00 C ATOM 663 OG SER A 46 -3.028 3.515 -18.631 1.00 0.00 O ATOM 0 H SER A 46 -3.684 0.244 -16.151 1.00 0.00 H new ATOM 0 HA SER A 46 -1.587 2.033 -17.224 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.825 1.618 -18.627 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.513 2.719 -17.450 1.00 0.00 H new ATOM 0 HG SER A 46 -3.669 3.829 -19.302 1.00 0.00 H new ATOM 669 N PHE A 47 -1.914 3.663 -15.363 1.00 0.00 N ATOM 670 CA PHE A 47 -1.969 4.489 -14.162 1.00 0.00 C ATOM 671 C PHE A 47 -3.059 5.550 -14.281 1.00 0.00 C ATOM 672 O PHE A 47 -3.857 5.740 -13.364 1.00 0.00 O ATOM 673 CB PHE A 47 -0.615 5.158 -13.915 1.00 0.00 C ATOM 674 CG PHE A 47 -0.108 5.938 -15.094 1.00 0.00 C ATOM 675 CD1 PHE A 47 0.535 5.298 -16.141 1.00 0.00 C ATOM 676 CD2 PHE A 47 -0.274 7.312 -15.155 1.00 0.00 C ATOM 677 CE1 PHE A 47 1.002 6.013 -17.228 1.00 0.00 C ATOM 678 CE2 PHE A 47 0.191 8.033 -16.239 1.00 0.00 C ATOM 679 CZ PHE A 47 0.831 7.382 -17.276 1.00 0.00 C ATOM 0 H PHE A 47 -1.165 3.909 -16.010 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.207 3.842 -13.317 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -0.699 5.825 -13.057 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.117 4.394 -13.653 1.00 0.00 H new ATOM 0 HD1 PHE A 47 0.673 4.227 -16.108 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.772 7.826 -14.346 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.500 5.501 -18.038 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.054 9.104 -16.275 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.197 7.943 -18.123 1.00 0.00 H new ATOM 689 N MET A 48 -3.085 6.239 -15.417 1.00 0.00 N ATOM 690 CA MET A 48 -4.077 7.280 -15.656 1.00 0.00 C ATOM 691 C MET A 48 -5.391 6.678 -16.144 1.00 0.00 C ATOM 692 O MET A 48 -5.408 5.876 -17.077 1.00 0.00 O ATOM 693 CB MET A 48 -3.553 8.288 -16.681 1.00 0.00 C ATOM 694 CG MET A 48 -4.211 9.655 -16.581 1.00 0.00 C ATOM 695 SD MET A 48 -3.815 10.506 -15.042 1.00 0.00 S ATOM 696 CE MET A 48 -2.167 11.108 -15.402 1.00 0.00 C ATOM 0 H MET A 48 -2.431 6.095 -16.186 1.00 0.00 H new ATOM 0 HA MET A 48 -4.262 7.794 -14.713 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.477 8.401 -16.549 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.711 7.890 -17.683 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.893 10.269 -17.423 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.292 9.540 -16.660 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.507 10.887 -14.563 1.00 0.00 H new ATOM 0 HE2 MET A 48 -1.789 10.619 -16.300 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.200 12.186 -15.563 1.00 0.00 H new ATOM 706 N MET A 49 -6.489 7.070 -15.507 1.00 0.00 N ATOM 707 CA MET A 49 -7.807 6.569 -15.878 1.00 0.00 C ATOM 708 C MET A 49 -8.592 7.624 -16.651 1.00 0.00 C ATOM 709 O MET A 49 -8.094 8.720 -16.903 1.00 0.00 O ATOM 710 CB MET A 49 -8.587 6.150 -14.630 1.00 0.00 C ATOM 711 CG MET A 49 -8.623 7.217 -13.549 1.00 0.00 C ATOM 712 SD MET A 49 -9.869 6.887 -12.288 1.00 0.00 S ATOM 713 CE MET A 49 -9.257 5.351 -11.600 1.00 0.00 C ATOM 0 H MET A 49 -6.492 7.733 -14.732 1.00 0.00 H new ATOM 0 HA MET A 49 -7.670 5.700 -16.521 1.00 0.00 H new ATOM 0 HB2 MET A 49 -9.609 5.901 -14.917 1.00 0.00 H new ATOM 0 HB3 MET A 49 -8.141 5.244 -14.220 1.00 0.00 H new ATOM 0 HG2 MET A 49 -7.643 7.284 -13.077 1.00 0.00 H new ATOM 0 HG3 MET A 49 -8.823 8.186 -14.007 1.00 0.00 H new ATOM 0 HE1 MET A 49 -9.839 5.091 -10.716 1.00 0.00 H new ATOM 0 HE2 MET A 49 -9.350 4.558 -12.342 1.00 0.00 H new ATOM 0 HE3 MET A 49 -8.209 5.468 -11.324 1.00 0.00 H new ATOM 723 N GLU A 50 -9.823 7.285 -17.024 1.00 0.00 N ATOM 724 CA GLU A 50 -10.675 8.204 -17.769 1.00 0.00 C ATOM 725 C GLU A 50 -10.126 8.436 -19.174 1.00 0.00 C ATOM 726 O GLU A 50 -10.281 9.517 -19.742 1.00 0.00 O ATOM 727 CB GLU A 50 -10.794 9.538 -17.029 1.00 0.00 C ATOM 728 CG GLU A 50 -12.046 10.321 -17.385 1.00 0.00 C ATOM 729 CD GLU A 50 -11.840 11.245 -18.569 1.00 0.00 C ATOM 730 OE1 GLU A 50 -10.807 11.946 -18.601 1.00 0.00 O ATOM 731 OE2 GLU A 50 -12.711 11.268 -19.464 1.00 0.00 O ATOM 0 H GLU A 50 -10.251 6.382 -16.822 1.00 0.00 H new ATOM 0 HA GLU A 50 -11.664 7.755 -17.854 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.786 9.350 -15.955 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.918 10.147 -17.253 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.854 9.625 -17.609 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.361 10.907 -16.522 1.00 0.00 H new ATOM 738 N VAL A 51 -9.484 7.413 -19.729 1.00 0.00 N ATOM 739 CA VAL A 51 -8.913 7.504 -21.067 1.00 0.00 C ATOM 740 C VAL A 51 -9.996 7.752 -22.111 1.00 0.00 C ATOM 741 O VAL A 51 -11.007 7.051 -22.152 1.00 0.00 O ATOM 742 CB VAL A 51 -8.142 6.223 -21.437 1.00 0.00 C ATOM 743 CG1 VAL A 51 -6.973 6.011 -20.488 1.00 0.00 C ATOM 744 CG2 VAL A 51 -9.073 5.020 -21.427 1.00 0.00 C ATOM 0 H VAL A 51 -9.346 6.511 -19.272 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.221 8.346 -21.059 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.744 6.337 -22.445 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.440 5.101 -20.765 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.295 6.862 -20.550 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.345 5.917 -19.468 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.512 4.123 -21.691 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.502 4.900 -20.432 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.873 5.173 -22.151 1.00 0.00 H new ATOM 754 N LYS A 52 -9.777 8.754 -22.956 1.00 0.00 N ATOM 755 CA LYS A 52 -10.733 9.095 -24.003 1.00 0.00 C ATOM 756 C LYS A 52 -10.869 7.955 -25.008 1.00 0.00 C ATOM 757 O LYS A 52 -10.095 6.997 -24.983 1.00 0.00 O ATOM 758 CB LYS A 52 -10.298 10.373 -24.723 1.00 0.00 C ATOM 759 CG LYS A 52 -10.662 11.645 -23.977 1.00 0.00 C ATOM 760 CD LYS A 52 -9.718 11.898 -22.813 1.00 0.00 C ATOM 761 CE LYS A 52 -10.245 12.991 -21.896 1.00 0.00 C ATOM 762 NZ LYS A 52 -9.259 13.352 -20.840 1.00 0.00 N ATOM 0 H LYS A 52 -8.945 9.344 -22.936 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.703 9.261 -23.534 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.219 10.346 -24.873 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.757 10.397 -25.711 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.631 12.492 -24.663 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.685 11.571 -23.608 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.585 10.978 -22.245 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.737 12.183 -23.194 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.485 13.875 -22.486 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.172 12.658 -21.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.571 12.964 -19.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.328 12.957 -21.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.188 14.387 -20.770 1.00 0.00 H new ATOM 776 N ASP A 53 -11.856 8.065 -25.890 1.00 0.00 N ATOM 777 CA ASP A 53 -12.091 7.044 -26.905 1.00 0.00 C ATOM 778 C ASP A 53 -12.106 7.659 -28.301 1.00 0.00 C ATOM 779 O ASP A 53 -12.485 8.815 -28.493 1.00 0.00 O ATOM 780 CB ASP A 53 -13.414 6.324 -26.637 1.00 0.00 C ATOM 781 CG ASP A 53 -14.606 7.259 -26.706 1.00 0.00 C ATOM 782 OD1 ASP A 53 -14.987 7.652 -27.828 1.00 0.00 O ATOM 783 OD2 ASP A 53 -15.158 7.595 -25.638 1.00 0.00 O ATOM 0 H ASP A 53 -12.506 8.850 -25.923 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.276 6.322 -26.855 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.542 5.522 -27.364 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.378 5.858 -25.652 1.00 0.00 H new ATOM 788 N PRO A 54 -11.684 6.870 -29.300 1.00 0.00 N ATOM 789 CA PRO A 54 -11.638 7.315 -30.696 1.00 0.00 C ATOM 790 C PRO A 54 -13.030 7.493 -31.293 1.00 0.00 C ATOM 791 O PRO A 54 -13.266 8.408 -32.080 1.00 0.00 O ATOM 792 CB PRO A 54 -10.892 6.183 -31.405 1.00 0.00 C ATOM 793 CG PRO A 54 -11.134 4.981 -30.559 1.00 0.00 C ATOM 794 CD PRO A 54 -11.218 5.482 -29.144 1.00 0.00 C ATOM 0 HA PRO A 54 -11.158 8.288 -30.798 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.266 6.036 -32.418 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -9.827 6.401 -31.487 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.056 4.478 -30.850 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.327 4.257 -30.670 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.913 4.890 -28.549 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.251 5.437 -28.644 1.00 0.00 H new ATOM 802 N ASN A 55 -13.949 6.611 -30.913 1.00 0.00 N ATOM 803 CA ASN A 55 -15.318 6.670 -31.412 1.00 0.00 C ATOM 804 C ASN A 55 -16.205 7.480 -30.471 1.00 0.00 C ATOM 805 O ASN A 55 -16.778 8.481 -30.896 1.00 0.00 O ATOM 806 CB ASN A 55 -15.885 5.259 -31.577 1.00 0.00 C ATOM 807 CG ASN A 55 -17.273 5.261 -32.187 1.00 0.00 C ATOM 808 OD1 ASN A 55 -18.249 5.631 -31.535 1.00 0.00 O ATOM 809 ND2 ASN A 55 -17.367 4.845 -33.444 1.00 0.00 N ATOM 0 H ASN A 55 -13.770 5.847 -30.261 1.00 0.00 H new ATOM 0 HA ASN A 55 -15.303 7.163 -32.384 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -15.215 4.673 -32.206 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -15.919 4.768 -30.604 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -18.275 4.823 -33.907 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -16.531 4.547 -33.947 1.00 0.00 H new TER 816 ASN A 55 HETATM 817 ZN ZN A 181 -11.067 -10.895 -8.490 1.00 0.00 ZN