USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 628 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 MET CE :methyl -157:sc= 0 (180deg=-0.00129) USER MOD Single : A 1 MET N :NH3+ -97:sc= 0.984 (180deg=-0.123!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 166:sc=-0.00659 (180deg=-0.327) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.22) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -179:sc= -2.22! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -113:sc= -0.623 (180deg=-0.875) USER MOD Single : A 49 SER OG : rot -47:sc= -0.136! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.174 USER MOD Single : A 64 GLN : amide:sc= 0.224 K(o=0.22,f=-7.3!) USER MOD Single : A 70 SER OG : rot 180:sc= -0.231 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc=-0.00468 K(o=-0.0047,f=-1.5!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 72.273 -0.294 -11.021 1.00 0.00 N ATOM 2 CA MET A 1 71.005 -0.705 -10.357 1.00 0.00 C ATOM 3 C MET A 1 71.107 -2.166 -9.936 1.00 0.00 C ATOM 4 O MET A 1 70.976 -3.070 -10.760 1.00 0.00 O ATOM 5 CB MET A 1 69.833 -0.528 -11.327 1.00 0.00 C ATOM 6 CG MET A 1 69.697 0.947 -11.720 1.00 0.00 C ATOM 7 SD MET A 1 70.891 1.339 -13.021 1.00 0.00 S ATOM 8 CE MET A 1 69.867 0.831 -14.425 1.00 0.00 C ATOM 0 H1 MET A 1 72.887 0.185 -10.331 1.00 0.00 H new ATOM 0 H2 MET A 1 72.759 -1.135 -11.392 1.00 0.00 H new ATOM 0 H3 MET A 1 72.060 0.356 -11.804 1.00 0.00 H new ATOM 0 HA MET A 1 70.837 -0.084 -9.477 1.00 0.00 H new ATOM 0 HB2 MET A 1 69.992 -1.137 -12.217 1.00 0.00 H new ATOM 0 HB3 MET A 1 68.910 -0.876 -10.863 1.00 0.00 H new ATOM 0 HG2 MET A 1 68.684 1.149 -12.069 1.00 0.00 H new ATOM 0 HG3 MET A 1 69.868 1.583 -10.851 1.00 0.00 H new ATOM 0 HE1 MET A 1 70.507 0.597 -15.276 1.00 0.00 H new ATOM 0 HE2 MET A 1 69.288 -0.051 -14.153 1.00 0.00 H new ATOM 0 HE3 MET A 1 69.189 1.641 -14.693 1.00 0.00 H new ATOM 20 N TYR A 2 71.345 -2.392 -8.645 1.00 0.00 N ATOM 21 CA TYR A 2 71.468 -3.751 -8.115 1.00 0.00 C ATOM 22 C TYR A 2 70.146 -4.186 -7.502 1.00 0.00 C ATOM 23 O TYR A 2 69.579 -3.483 -6.664 1.00 0.00 O ATOM 24 CB TYR A 2 72.570 -3.791 -7.046 1.00 0.00 C ATOM 25 CG TYR A 2 73.087 -5.218 -6.876 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.425 -6.121 -6.029 1.00 0.00 C ATOM 27 CD2 TYR A 2 74.243 -5.635 -7.562 1.00 0.00 C ATOM 28 CE1 TYR A 2 72.908 -7.424 -5.871 1.00 0.00 C ATOM 29 CE2 TYR A 2 74.720 -6.943 -7.404 1.00 0.00 C ATOM 30 CZ TYR A 2 74.053 -7.836 -6.558 1.00 0.00 C ATOM 31 OH TYR A 2 74.523 -9.124 -6.402 1.00 0.00 O ATOM 0 H TYR A 2 71.456 -1.655 -7.948 1.00 0.00 H new ATOM 0 HA TYR A 2 71.728 -4.430 -8.927 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.389 -3.131 -7.332 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.180 -3.422 -6.097 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.539 -5.808 -5.497 1.00 0.00 H new ATOM 0 HD2 TYR A 2 74.763 -4.946 -8.211 1.00 0.00 H new ATOM 0 HE1 TYR A 2 72.395 -8.113 -5.217 1.00 0.00 H new ATOM 0 HE2 TYR A 2 75.604 -7.262 -7.936 1.00 0.00 H new ATOM 0 HH TYR A 2 75.326 -9.248 -6.950 1.00 0.00 H new ATOM 41 N GLU A 3 69.655 -5.349 -7.918 1.00 0.00 N ATOM 42 CA GLU A 3 68.391 -5.869 -7.403 1.00 0.00 C ATOM 43 C GLU A 3 68.649 -7.048 -6.473 1.00 0.00 C ATOM 44 O GLU A 3 69.065 -8.116 -6.920 1.00 0.00 O ATOM 45 CB GLU A 3 67.518 -6.324 -8.576 1.00 0.00 C ATOM 46 CG GLU A 3 67.390 -5.176 -9.594 1.00 0.00 C ATOM 47 CD GLU A 3 68.615 -5.142 -10.504 1.00 0.00 C ATOM 48 OE1 GLU A 3 69.526 -5.917 -10.266 1.00 0.00 O ATOM 49 OE2 GLU A 3 68.627 -4.335 -11.419 1.00 0.00 O ATOM 0 H GLU A 3 70.110 -5.948 -8.607 1.00 0.00 H new ATOM 0 HA GLU A 3 67.881 -5.084 -6.845 1.00 0.00 H new ATOM 0 HB2 GLU A 3 67.958 -7.200 -9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 3 66.532 -6.618 -8.217 1.00 0.00 H new ATOM 0 HG2 GLU A 3 66.488 -5.308 -10.191 1.00 0.00 H new ATOM 0 HG3 GLU A 3 67.290 -4.225 -9.071 1.00 0.00 H new ATOM 56 N PHE A 4 68.382 -6.860 -5.181 1.00 0.00 N ATOM 57 CA PHE A 4 68.586 -7.944 -4.224 1.00 0.00 C ATOM 58 C PHE A 4 67.453 -8.960 -4.374 1.00 0.00 C ATOM 59 O PHE A 4 66.346 -8.756 -3.879 1.00 0.00 O ATOM 60 CB PHE A 4 68.661 -7.399 -2.767 1.00 0.00 C ATOM 61 CG PHE A 4 68.234 -8.463 -1.757 1.00 0.00 C ATOM 62 CD1 PHE A 4 68.892 -9.706 -1.709 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.166 -8.212 -0.875 1.00 0.00 C ATOM 64 CE1 PHE A 4 68.487 -10.682 -0.795 1.00 0.00 C ATOM 65 CE2 PHE A 4 66.766 -9.193 0.038 1.00 0.00 C ATOM 66 CZ PHE A 4 67.425 -10.428 0.075 1.00 0.00 C ATOM 0 H PHE A 4 68.032 -5.989 -4.781 1.00 0.00 H new ATOM 0 HA PHE A 4 69.538 -8.433 -4.432 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.679 -7.074 -2.549 1.00 0.00 H new ATOM 0 HB3 PHE A 4 68.019 -6.523 -2.670 1.00 0.00 H new ATOM 0 HD1 PHE A 4 69.713 -9.906 -2.381 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.655 -7.261 -0.903 1.00 0.00 H new ATOM 0 HE1 PHE A 4 68.996 -11.634 -0.761 1.00 0.00 H new ATOM 0 HE2 PHE A 4 65.948 -8.998 0.715 1.00 0.00 H new ATOM 0 HZ PHE A 4 67.111 -11.186 0.778 1.00 0.00 H new ATOM 76 N LYS A 5 67.749 -10.059 -5.066 1.00 0.00 N ATOM 77 CA LYS A 5 66.766 -11.121 -5.292 1.00 0.00 C ATOM 78 C LYS A 5 67.188 -12.375 -4.538 1.00 0.00 C ATOM 79 O LYS A 5 68.379 -12.640 -4.392 1.00 0.00 O ATOM 80 CB LYS A 5 66.666 -11.433 -6.789 1.00 0.00 C ATOM 81 CG LYS A 5 66.142 -10.197 -7.526 1.00 0.00 C ATOM 82 CD LYS A 5 65.946 -10.506 -9.016 1.00 0.00 C ATOM 83 CE LYS A 5 67.300 -10.661 -9.717 1.00 0.00 C ATOM 84 NZ LYS A 5 67.095 -10.586 -11.191 1.00 0.00 N ATOM 0 H LYS A 5 68.663 -10.239 -5.481 1.00 0.00 H new ATOM 0 HA LYS A 5 65.793 -10.788 -4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.643 -11.717 -7.180 1.00 0.00 H new ATOM 0 HB3 LYS A 5 65.999 -12.279 -6.953 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.197 -9.877 -7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 5 66.844 -9.371 -7.409 1.00 0.00 H new ATOM 0 HD2 LYS A 5 65.365 -11.421 -9.130 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.376 -9.705 -9.487 1.00 0.00 H new ATOM 0 HE2 LYS A 5 67.984 -9.877 -9.392 1.00 0.00 H new ATOM 0 HE3 LYS A 5 67.756 -11.614 -9.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 68.010 -10.690 -11.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 66.455 -11.349 -11.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 66.676 -9.666 -11.437 1.00 0.00 H new ATOM 98 N LEU A 6 66.214 -13.145 -4.066 1.00 0.00 N ATOM 99 CA LEU A 6 66.524 -14.377 -3.327 1.00 0.00 C ATOM 100 C LEU A 6 67.190 -15.386 -4.275 1.00 0.00 C ATOM 101 O LEU A 6 66.533 -15.863 -5.201 1.00 0.00 O ATOM 102 CB LEU A 6 65.232 -15.000 -2.754 1.00 0.00 C ATOM 103 CG LEU A 6 65.566 -16.208 -1.834 1.00 0.00 C ATOM 104 CD1 LEU A 6 64.630 -16.217 -0.616 1.00 0.00 C ATOM 105 CD2 LEU A 6 65.385 -17.532 -2.599 1.00 0.00 C ATOM 0 H LEU A 6 65.219 -12.949 -4.175 1.00 0.00 H new ATOM 0 HA LEU A 6 67.198 -14.134 -2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.679 -14.249 -2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 6 64.586 -15.325 -3.570 1.00 0.00 H new ATOM 0 HG LEU A 6 66.602 -16.110 -1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 6 64.872 -17.067 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 6 64.757 -15.292 -0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 6 63.596 -16.298 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 6 65.623 -18.368 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 6 64.352 -17.619 -2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 6 66.052 -17.548 -3.461 1.00 0.00 H new ATOM 117 N PRO A 7 68.454 -15.738 -4.101 1.00 0.00 N ATOM 118 CA PRO A 7 69.112 -16.716 -5.019 1.00 0.00 C ATOM 119 C PRO A 7 68.338 -18.028 -5.110 1.00 0.00 C ATOM 120 O PRO A 7 67.809 -18.521 -4.113 1.00 0.00 O ATOM 121 CB PRO A 7 70.499 -16.949 -4.397 1.00 0.00 C ATOM 122 CG PRO A 7 70.759 -15.742 -3.557 1.00 0.00 C ATOM 123 CD PRO A 7 69.394 -15.267 -3.052 1.00 0.00 C ATOM 0 HA PRO A 7 69.161 -16.337 -6.040 1.00 0.00 H new ATOM 0 HB2 PRO A 7 70.513 -17.858 -3.795 1.00 0.00 H new ATOM 0 HB3 PRO A 7 71.262 -17.065 -5.167 1.00 0.00 H new ATOM 0 HG2 PRO A 7 71.419 -15.983 -2.724 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.251 -14.962 -4.138 1.00 0.00 H new ATOM 0 HD2 PRO A 7 69.155 -15.694 -2.078 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.362 -14.183 -2.941 1.00 0.00 H new ATOM 131 N ASP A 8 68.286 -18.585 -6.314 1.00 0.00 N ATOM 132 CA ASP A 8 67.584 -19.845 -6.549 1.00 0.00 C ATOM 133 C ASP A 8 68.567 -21.012 -6.451 1.00 0.00 C ATOM 134 O ASP A 8 69.403 -21.197 -7.336 1.00 0.00 O ATOM 135 CB ASP A 8 66.965 -19.828 -7.947 1.00 0.00 C ATOM 136 CG ASP A 8 65.826 -18.817 -8.003 1.00 0.00 C ATOM 137 OD1 ASP A 8 65.485 -18.284 -6.962 1.00 0.00 O ATOM 138 OD2 ASP A 8 65.303 -18.601 -9.084 1.00 0.00 O ATOM 0 H ASP A 8 68.722 -18.185 -7.145 1.00 0.00 H new ATOM 0 HA ASP A 8 66.802 -19.965 -5.799 1.00 0.00 H new ATOM 0 HB2 ASP A 8 67.724 -19.573 -8.686 1.00 0.00 H new ATOM 0 HB3 ASP A 8 66.593 -20.821 -8.201 1.00 0.00 H new ATOM 143 N ILE A 9 68.464 -21.804 -5.380 1.00 0.00 N ATOM 144 CA ILE A 9 69.353 -22.954 -5.187 1.00 0.00 C ATOM 145 C ILE A 9 68.543 -24.224 -4.951 1.00 0.00 C ATOM 146 O ILE A 9 67.439 -24.172 -4.410 1.00 0.00 O ATOM 147 CB ILE A 9 70.281 -22.701 -3.989 1.00 0.00 C ATOM 148 CG1 ILE A 9 69.445 -22.462 -2.721 1.00 0.00 C ATOM 149 CG2 ILE A 9 71.145 -21.470 -4.262 1.00 0.00 C ATOM 150 CD1 ILE A 9 70.360 -22.364 -1.499 1.00 0.00 C ATOM 0 H ILE A 9 67.778 -21.672 -4.637 1.00 0.00 H new ATOM 0 HA ILE A 9 69.952 -23.084 -6.088 1.00 0.00 H new ATOM 0 HB ILE A 9 70.919 -23.573 -3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 9 68.865 -21.545 -2.826 1.00 0.00 H new ATOM 0 HG13 ILE A 9 68.732 -23.276 -2.587 1.00 0.00 H new ATOM 0 HG21 ILE A 9 71.803 -21.291 -3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 9 71.745 -21.638 -5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 9 70.504 -20.602 -4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 9 69.758 -22.195 -0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 9 70.920 -23.293 -1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 9 71.055 -21.535 -1.630 1.00 0.00 H new ATOM 162 N GLY A 10 69.108 -25.360 -5.349 1.00 0.00 N ATOM 163 CA GLY A 10 68.438 -26.641 -5.170 1.00 0.00 C ATOM 164 C GLY A 10 67.042 -26.609 -5.778 1.00 0.00 C ATOM 165 O GLY A 10 66.849 -26.107 -6.884 1.00 0.00 O ATOM 0 H GLY A 10 70.023 -25.418 -5.795 1.00 0.00 H new ATOM 0 HA2 GLY A 10 69.025 -27.432 -5.637 1.00 0.00 H new ATOM 0 HA3 GLY A 10 68.372 -26.877 -4.108 1.00 0.00 H new ATOM 169 N GLU A 11 66.072 -27.139 -5.041 1.00 0.00 N ATOM 170 CA GLU A 11 64.689 -27.160 -5.507 1.00 0.00 C ATOM 171 C GLU A 11 63.743 -27.229 -4.314 1.00 0.00 C ATOM 172 O GLU A 11 62.532 -27.373 -4.474 1.00 0.00 O ATOM 173 CB GLU A 11 64.446 -28.360 -6.431 1.00 0.00 C ATOM 174 CG GLU A 11 65.092 -29.616 -5.838 1.00 0.00 C ATOM 175 CD GLU A 11 66.608 -29.557 -6.014 1.00 0.00 C ATOM 176 OE1 GLU A 11 67.045 -29.042 -7.028 1.00 0.00 O ATOM 177 OE2 GLU A 11 67.306 -30.018 -5.127 1.00 0.00 O ATOM 0 H GLU A 11 66.216 -27.558 -4.122 1.00 0.00 H new ATOM 0 HA GLU A 11 64.500 -26.245 -6.069 1.00 0.00 H new ATOM 0 HB2 GLU A 11 63.375 -28.518 -6.561 1.00 0.00 H new ATOM 0 HB3 GLU A 11 64.861 -28.159 -7.419 1.00 0.00 H new ATOM 0 HG2 GLU A 11 64.843 -29.698 -4.780 1.00 0.00 H new ATOM 0 HG3 GLU A 11 64.695 -30.505 -6.328 1.00 0.00 H new ATOM 184 N GLY A 12 64.308 -27.123 -3.113 1.00 0.00 N ATOM 185 CA GLY A 12 63.507 -27.170 -1.895 1.00 0.00 C ATOM 186 C GLY A 12 62.915 -25.801 -1.587 1.00 0.00 C ATOM 187 O GLY A 12 62.293 -25.603 -0.544 1.00 0.00 O ATOM 0 H GLY A 12 65.309 -27.005 -2.959 1.00 0.00 H new ATOM 0 HA2 GLY A 12 62.706 -27.901 -2.008 1.00 0.00 H new ATOM 0 HA3 GLY A 12 64.125 -27.501 -1.060 1.00 0.00 H new ATOM 191 N VAL A 13 63.110 -24.853 -2.508 1.00 0.00 N ATOM 192 CA VAL A 13 62.586 -23.491 -2.330 1.00 0.00 C ATOM 193 C VAL A 13 61.715 -23.104 -3.522 1.00 0.00 C ATOM 194 O VAL A 13 62.129 -23.231 -4.675 1.00 0.00 O ATOM 195 CB VAL A 13 63.757 -22.500 -2.179 1.00 0.00 C ATOM 196 CG1 VAL A 13 63.242 -21.059 -2.262 1.00 0.00 C ATOM 197 CG2 VAL A 13 64.440 -22.714 -0.818 1.00 0.00 C ATOM 0 H VAL A 13 63.622 -24.999 -3.378 1.00 0.00 H new ATOM 0 HA VAL A 13 61.974 -23.457 -1.428 1.00 0.00 H new ATOM 0 HB VAL A 13 64.472 -22.674 -2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 13 64.077 -20.367 -2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 13 62.761 -20.900 -3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 13 62.521 -20.884 -1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 13 65.268 -22.013 -0.712 1.00 0.00 H new ATOM 0 HG22 VAL A 13 63.718 -22.547 -0.018 1.00 0.00 H new ATOM 0 HG23 VAL A 13 64.819 -23.734 -0.757 1.00 0.00 H new ATOM 207 N THR A 14 60.508 -22.623 -3.233 1.00 0.00 N ATOM 208 CA THR A 14 59.574 -22.211 -4.279 1.00 0.00 C ATOM 209 C THR A 14 58.825 -20.949 -3.861 1.00 0.00 C ATOM 210 O THR A 14 58.111 -20.347 -4.664 1.00 0.00 O ATOM 211 CB THR A 14 58.570 -23.333 -4.559 1.00 0.00 C ATOM 212 OG1 THR A 14 57.865 -23.644 -3.366 1.00 0.00 O ATOM 213 CG2 THR A 14 59.312 -24.573 -5.059 1.00 0.00 C ATOM 0 H THR A 14 60.153 -22.509 -2.283 1.00 0.00 H new ATOM 0 HA THR A 14 60.143 -22.001 -5.184 1.00 0.00 H new ATOM 0 HB THR A 14 57.863 -23.007 -5.322 1.00 0.00 H new ATOM 0 HG1 THR A 14 57.221 -24.361 -3.544 1.00 0.00 H new ATOM 0 HG21 THR A 14 58.596 -25.370 -5.258 1.00 0.00 H new ATOM 0 HG22 THR A 14 59.849 -24.331 -5.976 1.00 0.00 H new ATOM 0 HG23 THR A 14 60.021 -24.903 -4.300 1.00 0.00 H new ATOM 221 N GLU A 15 59.001 -20.547 -2.602 1.00 0.00 N ATOM 222 CA GLU A 15 58.342 -19.345 -2.079 1.00 0.00 C ATOM 223 C GLU A 15 59.244 -18.612 -1.095 1.00 0.00 C ATOM 224 O GLU A 15 60.066 -19.222 -0.414 1.00 0.00 O ATOM 225 CB GLU A 15 57.021 -19.705 -1.383 1.00 0.00 C ATOM 226 CG GLU A 15 55.994 -20.173 -2.415 1.00 0.00 C ATOM 227 CD GLU A 15 54.707 -20.599 -1.714 1.00 0.00 C ATOM 228 OE1 GLU A 15 54.669 -20.541 -0.496 1.00 0.00 O ATOM 229 OE2 GLU A 15 53.779 -20.979 -2.408 1.00 0.00 O ATOM 0 H GLU A 15 59.591 -21.032 -1.926 1.00 0.00 H new ATOM 0 HA GLU A 15 58.135 -18.692 -2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 15 57.191 -20.490 -0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 15 56.637 -18.839 -0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 15 55.784 -19.370 -3.122 1.00 0.00 H new ATOM 0 HG3 GLU A 15 56.398 -21.006 -2.990 1.00 0.00 H new ATOM 236 N GLY A 16 59.072 -17.290 -1.021 1.00 0.00 N ATOM 237 CA GLY A 16 59.858 -16.455 -0.110 1.00 0.00 C ATOM 238 C GLY A 16 58.927 -15.640 0.784 1.00 0.00 C ATOM 239 O GLY A 16 57.979 -15.025 0.297 1.00 0.00 O ATOM 0 H GLY A 16 58.394 -16.774 -1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 16 60.507 -17.081 0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.504 -15.788 -0.681 1.00 0.00 H new ATOM 243 N GLU A 17 59.195 -15.634 2.094 1.00 0.00 N ATOM 244 CA GLU A 17 58.364 -14.884 3.037 1.00 0.00 C ATOM 245 C GLU A 17 59.246 -14.090 3.997 1.00 0.00 C ATOM 246 O GLU A 17 60.305 -14.556 4.416 1.00 0.00 O ATOM 247 CB GLU A 17 57.486 -15.849 3.833 1.00 0.00 C ATOM 248 CG GLU A 17 56.504 -15.058 4.701 1.00 0.00 C ATOM 249 CD GLU A 17 55.624 -16.018 5.492 1.00 0.00 C ATOM 250 OE1 GLU A 17 55.918 -17.202 5.484 1.00 0.00 O ATOM 251 OE2 GLU A 17 54.666 -15.557 6.093 1.00 0.00 O ATOM 0 H GLU A 17 59.974 -16.136 2.521 1.00 0.00 H new ATOM 0 HA GLU A 17 57.732 -14.194 2.478 1.00 0.00 H new ATOM 0 HB2 GLU A 17 56.940 -16.503 3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.108 -16.488 4.460 1.00 0.00 H new ATOM 0 HG2 GLU A 17 57.051 -14.406 5.382 1.00 0.00 H new ATOM 0 HG3 GLU A 17 55.885 -14.416 4.074 1.00 0.00 H new ATOM 258 N ILE A 18 58.800 -12.880 4.328 1.00 0.00 N ATOM 259 CA ILE A 18 59.544 -11.995 5.228 1.00 0.00 C ATOM 260 C ILE A 18 58.969 -12.042 6.643 1.00 0.00 C ATOM 261 O ILE A 18 57.794 -11.744 6.860 1.00 0.00 O ATOM 262 CB ILE A 18 59.482 -10.563 4.660 1.00 0.00 C ATOM 263 CG1 ILE A 18 60.447 -10.439 3.458 1.00 0.00 C ATOM 264 CG2 ILE A 18 59.834 -9.517 5.727 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.891 -10.173 3.928 1.00 0.00 C ATOM 0 H ILE A 18 57.923 -12.487 3.986 1.00 0.00 H new ATOM 0 HA ILE A 18 60.581 -12.325 5.292 1.00 0.00 H new ATOM 0 HB ILE A 18 58.460 -10.372 4.333 1.00 0.00 H new ATOM 0 HG12 ILE A 18 60.417 -11.355 2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 18 60.119 -9.629 2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 18 59.780 -8.520 5.291 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.128 -9.590 6.555 1.00 0.00 H new ATOM 0 HG23 ILE A 18 60.844 -9.698 6.095 1.00 0.00 H new ATOM 0 HD11 ILE A 18 62.546 -10.091 3.061 1.00 0.00 H new ATOM 0 HD12 ILE A 18 61.923 -9.244 4.497 1.00 0.00 H new ATOM 0 HD13 ILE A 18 62.226 -10.996 4.559 1.00 0.00 H new ATOM 277 N VAL A 19 59.816 -12.412 7.603 1.00 0.00 N ATOM 278 CA VAL A 19 59.394 -12.488 8.998 1.00 0.00 C ATOM 279 C VAL A 19 59.573 -11.141 9.704 1.00 0.00 C ATOM 280 O VAL A 19 58.683 -10.698 10.431 1.00 0.00 O ATOM 281 CB VAL A 19 60.201 -13.561 9.732 1.00 0.00 C ATOM 282 CG1 VAL A 19 61.668 -13.135 9.823 1.00 0.00 C ATOM 283 CG2 VAL A 19 59.635 -13.738 11.145 1.00 0.00 C ATOM 0 H VAL A 19 60.791 -12.662 7.441 1.00 0.00 H new ATOM 0 HA VAL A 19 58.336 -12.749 9.015 1.00 0.00 H new ATOM 0 HB VAL A 19 60.134 -14.502 9.186 1.00 0.00 H new ATOM 0 HG11 VAL A 19 62.238 -13.903 10.347 1.00 0.00 H new ATOM 0 HG12 VAL A 19 62.072 -13.005 8.819 1.00 0.00 H new ATOM 0 HG13 VAL A 19 61.740 -12.194 10.368 1.00 0.00 H new ATOM 0 HG21 VAL A 19 60.206 -14.502 11.673 1.00 0.00 H new ATOM 0 HG22 VAL A 19 59.705 -12.794 11.686 1.00 0.00 H new ATOM 0 HG23 VAL A 19 58.591 -14.044 11.083 1.00 0.00 H new ATOM 293 N ARG A 20 60.728 -10.495 9.511 1.00 0.00 N ATOM 294 CA ARG A 20 60.988 -9.208 10.175 1.00 0.00 C ATOM 295 C ARG A 20 61.846 -8.269 9.320 1.00 0.00 C ATOM 296 O ARG A 20 62.825 -8.690 8.702 1.00 0.00 O ATOM 297 CB ARG A 20 61.693 -9.485 11.513 1.00 0.00 C ATOM 298 CG ARG A 20 61.912 -8.180 12.288 1.00 0.00 C ATOM 299 CD ARG A 20 62.627 -8.482 13.605 1.00 0.00 C ATOM 300 NE ARG A 20 61.771 -9.269 14.488 1.00 0.00 N ATOM 301 CZ ARG A 20 60.861 -8.693 15.265 1.00 0.00 C ATOM 302 NH1 ARG A 20 60.697 -7.399 15.241 1.00 0.00 N ATOM 303 NH2 ARG A 20 60.124 -9.427 16.054 1.00 0.00 N ATOM 0 H ARG A 20 61.484 -10.831 8.915 1.00 0.00 H new ATOM 0 HA ARG A 20 60.033 -8.706 10.333 1.00 0.00 H new ATOM 0 HB2 ARG A 20 61.094 -10.173 12.110 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.651 -9.972 11.331 1.00 0.00 H new ATOM 0 HG2 ARG A 20 62.504 -7.486 11.692 1.00 0.00 H new ATOM 0 HG3 ARG A 20 60.955 -7.696 12.484 1.00 0.00 H new ATOM 0 HD2 ARG A 20 63.551 -9.025 13.407 1.00 0.00 H new ATOM 0 HD3 ARG A 20 62.905 -7.549 14.096 1.00 0.00 H new ATOM 0 HE ARG A 20 61.874 -10.284 14.509 1.00 0.00 H new ATOM 0 HH11 ARG A 20 61.269 -6.824 14.623 1.00 0.00 H new ATOM 0 HH12 ARG A 20 59.996 -6.963 15.840 1.00 0.00 H new ATOM 0 HH21 ARG A 20 60.248 -10.439 16.072 1.00 0.00 H new ATOM 0 HH22 ARG A 20 59.424 -8.988 16.652 1.00 0.00 H new ATOM 317 N TRP A 21 61.482 -6.978 9.330 1.00 0.00 N ATOM 318 CA TRP A 21 62.228 -5.943 8.594 1.00 0.00 C ATOM 319 C TRP A 21 62.979 -5.069 9.607 1.00 0.00 C ATOM 320 O TRP A 21 62.456 -4.789 10.687 1.00 0.00 O ATOM 321 CB TRP A 21 61.268 -5.017 7.798 1.00 0.00 C ATOM 322 CG TRP A 21 60.905 -5.568 6.447 1.00 0.00 C ATOM 323 CD1 TRP A 21 59.631 -5.805 6.045 1.00 0.00 C ATOM 324 CD2 TRP A 21 61.759 -5.897 5.297 1.00 0.00 C ATOM 325 NE1 TRP A 21 59.648 -6.253 4.738 1.00 0.00 N ATOM 326 CE2 TRP A 21 60.931 -6.339 4.238 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.152 -5.864 5.068 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.451 -6.731 2.998 1.00 0.00 C ATOM 329 CZ3 TRP A 21 63.682 -6.256 3.821 1.00 0.00 C ATOM 330 CH2 TRP A 21 62.833 -6.688 2.792 1.00 0.00 C ATOM 0 H TRP A 21 60.673 -6.624 9.841 1.00 0.00 H new ATOM 0 HA TRP A 21 62.908 -6.439 7.901 1.00 0.00 H new ATOM 0 HB2 TRP A 21 60.358 -4.862 8.378 1.00 0.00 H new ATOM 0 HB3 TRP A 21 61.736 -4.040 7.672 1.00 0.00 H new ATOM 0 HD1 TRP A 21 58.747 -5.666 6.649 1.00 0.00 H new ATOM 0 HE1 TRP A 21 58.811 -6.492 4.206 1.00 0.00 H new ATOM 0 HE3 TRP A 21 63.817 -5.536 5.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 60.792 -7.063 2.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 64.749 -6.223 3.658 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.247 -6.987 1.840 1.00 0.00 H new ATOM 341 N ASP A 22 64.187 -4.616 9.257 1.00 0.00 N ATOM 342 CA ASP A 22 64.962 -3.746 10.161 1.00 0.00 C ATOM 343 C ASP A 22 65.413 -2.476 9.441 1.00 0.00 C ATOM 344 O ASP A 22 66.291 -1.761 9.924 1.00 0.00 O ATOM 345 CB ASP A 22 66.179 -4.498 10.710 1.00 0.00 C ATOM 346 CG ASP A 22 65.729 -5.458 11.809 1.00 0.00 C ATOM 347 OD1 ASP A 22 65.023 -6.402 11.491 1.00 0.00 O ATOM 348 OD2 ASP A 22 66.077 -5.225 12.955 1.00 0.00 O ATOM 0 H ASP A 22 64.647 -4.830 8.372 1.00 0.00 H new ATOM 0 HA ASP A 22 64.317 -3.460 10.992 1.00 0.00 H new ATOM 0 HB2 ASP A 22 66.671 -5.050 9.909 1.00 0.00 H new ATOM 0 HB3 ASP A 22 66.909 -3.792 11.105 1.00 0.00 H new ATOM 353 N VAL A 23 64.801 -2.186 8.292 1.00 0.00 N ATOM 354 CA VAL A 23 65.145 -0.983 7.527 1.00 0.00 C ATOM 355 C VAL A 23 63.870 -0.296 7.038 1.00 0.00 C ATOM 356 O VAL A 23 62.831 -0.940 6.896 1.00 0.00 O ATOM 357 CB VAL A 23 66.046 -1.363 6.339 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.096 -2.375 6.813 1.00 0.00 C ATOM 359 CG2 VAL A 23 65.205 -1.984 5.204 1.00 0.00 C ATOM 0 H VAL A 23 64.071 -2.761 7.872 1.00 0.00 H new ATOM 0 HA VAL A 23 65.688 -0.289 8.168 1.00 0.00 H new ATOM 0 HB VAL A 23 66.536 -0.467 5.959 1.00 0.00 H new ATOM 0 HG11 VAL A 23 67.739 -2.650 5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 23 67.699 -1.930 7.604 1.00 0.00 H new ATOM 0 HG13 VAL A 23 66.597 -3.265 7.195 1.00 0.00 H new ATOM 0 HG21 VAL A 23 65.856 -2.248 4.371 1.00 0.00 H new ATOM 0 HG22 VAL A 23 64.704 -2.880 5.571 1.00 0.00 H new ATOM 0 HG23 VAL A 23 64.459 -1.264 4.868 1.00 0.00 H new ATOM 369 N LYS A 24 63.950 1.013 6.775 1.00 0.00 N ATOM 370 CA LYS A 24 62.786 1.769 6.301 1.00 0.00 C ATOM 371 C LYS A 24 63.133 2.591 5.062 1.00 0.00 C ATOM 372 O LYS A 24 64.261 3.060 4.909 1.00 0.00 O ATOM 373 CB LYS A 24 62.286 2.696 7.411 1.00 0.00 C ATOM 374 CG LYS A 24 61.687 1.854 8.539 1.00 0.00 C ATOM 375 CD LYS A 24 61.150 2.779 9.633 1.00 0.00 C ATOM 376 CE LYS A 24 60.423 1.952 10.694 1.00 0.00 C ATOM 377 NZ LYS A 24 61.384 1.029 11.358 1.00 0.00 N ATOM 0 H LYS A 24 64.800 1.567 6.881 1.00 0.00 H new ATOM 0 HA LYS A 24 62.003 1.060 6.033 1.00 0.00 H new ATOM 0 HB2 LYS A 24 63.107 3.303 7.791 1.00 0.00 H new ATOM 0 HB3 LYS A 24 61.537 3.383 7.017 1.00 0.00 H new ATOM 0 HG2 LYS A 24 60.885 1.226 8.152 1.00 0.00 H new ATOM 0 HG3 LYS A 24 62.444 1.187 8.951 1.00 0.00 H new ATOM 0 HD2 LYS A 24 61.970 3.334 10.089 1.00 0.00 H new ATOM 0 HD3 LYS A 24 60.470 3.513 9.201 1.00 0.00 H new ATOM 0 HE2 LYS A 24 59.967 2.611 11.433 1.00 0.00 H new ATOM 0 HE3 LYS A 24 59.616 1.382 10.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 60.955 0.645 12.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 61.618 0.248 10.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 62.251 1.548 11.602 1.00 0.00 H new ATOM 391 N GLU A 25 62.151 2.758 4.184 1.00 0.00 N ATOM 392 CA GLU A 25 62.347 3.521 2.953 1.00 0.00 C ATOM 393 C GLU A 25 62.689 4.978 3.254 1.00 0.00 C ATOM 394 O GLU A 25 62.114 5.593 4.153 1.00 0.00 O ATOM 395 CB GLU A 25 61.086 3.441 2.082 1.00 0.00 C ATOM 396 CG GLU A 25 59.846 3.697 2.945 1.00 0.00 C ATOM 397 CD GLU A 25 58.592 3.701 2.078 1.00 0.00 C ATOM 398 OE1 GLU A 25 58.530 2.909 1.153 1.00 0.00 O ATOM 399 OE2 GLU A 25 57.711 4.500 2.352 1.00 0.00 O ATOM 0 H GLU A 25 61.212 2.377 4.299 1.00 0.00 H new ATOM 0 HA GLU A 25 63.186 3.085 2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 25 61.140 4.176 1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 25 61.018 2.460 1.613 1.00 0.00 H new ATOM 0 HG2 GLU A 25 59.763 2.928 3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 25 59.944 4.653 3.460 1.00 0.00 H new ATOM 406 N GLY A 26 63.630 5.529 2.485 1.00 0.00 N ATOM 407 CA GLY A 26 64.048 6.920 2.660 1.00 0.00 C ATOM 408 C GLY A 26 65.172 7.051 3.687 1.00 0.00 C ATOM 409 O GLY A 26 65.536 8.162 4.076 1.00 0.00 O ATOM 0 H GLY A 26 64.116 5.034 1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 26 64.381 7.322 1.703 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.194 7.519 2.977 1.00 0.00 H new ATOM 413 N ASP A 27 65.712 5.917 4.138 1.00 0.00 N ATOM 414 CA ASP A 27 66.794 5.919 5.134 1.00 0.00 C ATOM 415 C ASP A 27 68.059 5.289 4.557 1.00 0.00 C ATOM 416 O ASP A 27 67.989 4.393 3.716 1.00 0.00 O ATOM 417 CB ASP A 27 66.363 5.138 6.375 1.00 0.00 C ATOM 418 CG ASP A 27 65.269 5.899 7.116 1.00 0.00 C ATOM 419 OD1 ASP A 27 65.010 7.033 6.749 1.00 0.00 O ATOM 420 OD2 ASP A 27 64.696 5.331 8.033 1.00 0.00 O ATOM 0 H ASP A 27 65.422 4.988 3.833 1.00 0.00 H new ATOM 0 HA ASP A 27 67.005 6.953 5.406 1.00 0.00 H new ATOM 0 HB2 ASP A 27 66.000 4.152 6.086 1.00 0.00 H new ATOM 0 HB3 ASP A 27 67.218 4.983 7.032 1.00 0.00 H new ATOM 425 N MET A 28 69.215 5.762 5.024 1.00 0.00 N ATOM 426 CA MET A 28 70.492 5.232 4.553 1.00 0.00 C ATOM 427 C MET A 28 70.771 3.879 5.204 1.00 0.00 C ATOM 428 O MET A 28 70.374 3.636 6.344 1.00 0.00 O ATOM 429 CB MET A 28 71.638 6.192 4.884 1.00 0.00 C ATOM 430 CG MET A 28 71.478 7.488 4.087 1.00 0.00 C ATOM 431 SD MET A 28 72.895 8.569 4.403 1.00 0.00 S ATOM 432 CE MET A 28 72.234 10.049 3.599 1.00 0.00 C ATOM 0 H MET A 28 69.292 6.503 5.721 1.00 0.00 H new ATOM 0 HA MET A 28 70.428 5.116 3.471 1.00 0.00 H new ATOM 0 HB2 MET A 28 71.644 6.410 5.952 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.594 5.725 4.648 1.00 0.00 H new ATOM 0 HG2 MET A 28 71.406 7.266 3.022 1.00 0.00 H new ATOM 0 HG3 MET A 28 70.553 7.990 4.371 1.00 0.00 H new ATOM 0 HE1 MET A 28 72.959 10.859 3.676 1.00 0.00 H new ATOM 0 HE2 MET A 28 72.038 9.835 2.548 1.00 0.00 H new ATOM 0 HE3 MET A 28 71.306 10.345 4.088 1.00 0.00 H new ATOM 442 N VAL A 29 71.445 2.994 4.469 1.00 0.00 N ATOM 443 CA VAL A 29 71.764 1.653 4.977 1.00 0.00 C ATOM 444 C VAL A 29 73.267 1.394 4.919 1.00 0.00 C ATOM 445 O VAL A 29 73.911 1.646 3.902 1.00 0.00 O ATOM 446 CB VAL A 29 71.028 0.607 4.133 1.00 0.00 C ATOM 447 CG1 VAL A 29 71.517 -0.800 4.495 1.00 0.00 C ATOM 448 CG2 VAL A 29 69.524 0.711 4.400 1.00 0.00 C ATOM 0 H VAL A 29 71.781 3.177 3.523 1.00 0.00 H new ATOM 0 HA VAL A 29 71.444 1.586 6.017 1.00 0.00 H new ATOM 0 HB VAL A 29 71.229 0.791 3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 29 70.988 -1.536 3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 29 72.587 -0.874 4.303 1.00 0.00 H new ATOM 0 HG13 VAL A 29 71.324 -0.992 5.550 1.00 0.00 H new ATOM 0 HG21 VAL A 29 68.996 -0.031 3.802 1.00 0.00 H new ATOM 0 HG22 VAL A 29 69.329 0.531 5.457 1.00 0.00 H new ATOM 0 HG23 VAL A 29 69.175 1.708 4.132 1.00 0.00 H new ATOM 458 N GLU A 30 73.808 0.882 6.023 1.00 0.00 N ATOM 459 CA GLU A 30 75.234 0.568 6.124 1.00 0.00 C ATOM 460 C GLU A 30 75.470 -0.923 5.887 1.00 0.00 C ATOM 461 O GLU A 30 74.577 -1.741 6.103 1.00 0.00 O ATOM 462 CB GLU A 30 75.745 0.944 7.515 1.00 0.00 C ATOM 463 CG GLU A 30 74.811 0.359 8.578 1.00 0.00 C ATOM 464 CD GLU A 30 75.359 0.658 9.969 1.00 0.00 C ATOM 465 OE1 GLU A 30 76.570 0.722 10.105 1.00 0.00 O ATOM 466 OE2 GLU A 30 74.563 0.828 10.877 1.00 0.00 O ATOM 0 H GLU A 30 73.276 0.674 6.868 1.00 0.00 H new ATOM 0 HA GLU A 30 75.771 1.138 5.366 1.00 0.00 H new ATOM 0 HB2 GLU A 30 76.757 0.565 7.657 1.00 0.00 H new ATOM 0 HB3 GLU A 30 75.794 2.028 7.615 1.00 0.00 H new ATOM 0 HG2 GLU A 30 73.813 0.784 8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 30 74.716 -0.718 8.439 1.00 0.00 H new ATOM 473 N LYS A 31 76.680 -1.269 5.441 1.00 0.00 N ATOM 474 CA LYS A 31 77.029 -2.666 5.171 1.00 0.00 C ATOM 475 C LYS A 31 77.747 -3.287 6.365 1.00 0.00 C ATOM 476 O LYS A 31 78.975 -3.342 6.400 1.00 0.00 O ATOM 477 CB LYS A 31 77.942 -2.742 3.945 1.00 0.00 C ATOM 478 CG LYS A 31 78.197 -4.207 3.578 1.00 0.00 C ATOM 479 CD LYS A 31 79.062 -4.266 2.319 1.00 0.00 C ATOM 480 CE LYS A 31 79.312 -5.724 1.926 1.00 0.00 C ATOM 481 NZ LYS A 31 80.118 -5.770 0.673 1.00 0.00 N ATOM 0 H LYS A 31 77.432 -0.604 5.260 1.00 0.00 H new ATOM 0 HA LYS A 31 76.108 -3.218 4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 31 77.482 -2.222 3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 31 78.887 -2.240 4.152 1.00 0.00 H new ATOM 0 HG2 LYS A 31 78.696 -4.719 4.401 1.00 0.00 H new ATOM 0 HG3 LYS A 31 77.251 -4.722 3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 31 78.567 -3.740 1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 31 80.011 -3.760 2.495 1.00 0.00 H new ATOM 0 HE2 LYS A 31 79.837 -6.243 2.728 1.00 0.00 H new ATOM 0 HE3 LYS A 31 78.363 -6.240 1.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 80.288 -6.761 0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 79.601 -5.289 -0.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 81.029 -5.292 0.828 1.00 0.00 H new ATOM 495 N ASP A 32 76.976 -3.771 7.333 1.00 0.00 N ATOM 496 CA ASP A 32 77.561 -4.397 8.514 1.00 0.00 C ATOM 497 C ASP A 32 76.478 -5.011 9.396 1.00 0.00 C ATOM 498 O ASP A 32 75.488 -4.361 9.723 1.00 0.00 O ATOM 499 CB ASP A 32 78.351 -3.367 9.327 1.00 0.00 C ATOM 500 CG ASP A 32 77.423 -2.252 9.793 1.00 0.00 C ATOM 501 OD1 ASP A 32 76.305 -2.206 9.314 1.00 0.00 O ATOM 502 OD2 ASP A 32 77.847 -1.454 10.614 1.00 0.00 O ATOM 0 H ASP A 32 75.956 -3.743 7.325 1.00 0.00 H new ATOM 0 HA ASP A 32 78.233 -5.186 8.176 1.00 0.00 H new ATOM 0 HB2 ASP A 32 78.816 -3.849 10.187 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.156 -2.952 8.721 1.00 0.00 H new ATOM 507 N GLN A 33 76.687 -6.262 9.795 1.00 0.00 N ATOM 508 CA GLN A 33 75.738 -6.949 10.662 1.00 0.00 C ATOM 509 C GLN A 33 74.325 -6.918 10.085 1.00 0.00 C ATOM 510 O GLN A 33 73.867 -7.895 9.497 1.00 0.00 O ATOM 511 CB GLN A 33 75.734 -6.284 12.038 1.00 0.00 C ATOM 512 CG GLN A 33 77.072 -6.517 12.750 1.00 0.00 C ATOM 513 CD GLN A 33 77.254 -7.999 13.064 1.00 0.00 C ATOM 514 OE1 GLN A 33 76.422 -8.595 13.749 1.00 0.00 O ATOM 515 NE2 GLN A 33 78.287 -8.636 12.587 1.00 0.00 N ATOM 0 H GLN A 33 77.501 -6.818 9.533 1.00 0.00 H new ATOM 0 HA GLN A 33 76.049 -7.990 10.743 1.00 0.00 H new ATOM 0 HB2 GLN A 33 75.553 -5.214 11.931 1.00 0.00 H new ATOM 0 HB3 GLN A 33 74.920 -6.686 12.641 1.00 0.00 H new ATOM 0 HG2 GLN A 33 77.892 -6.168 12.122 1.00 0.00 H new ATOM 0 HG3 GLN A 33 77.107 -5.936 13.672 1.00 0.00 H new ATOM 0 HE21 GLN A 33 78.975 -8.140 12.020 1.00 0.00 H new ATOM 0 HE22 GLN A 33 78.407 -9.630 12.781 1.00 0.00 H new ATOM 524 N ASP A 34 73.635 -5.795 10.273 1.00 0.00 N ATOM 525 CA ASP A 34 72.264 -5.649 9.791 1.00 0.00 C ATOM 526 C ASP A 34 71.393 -6.755 10.381 1.00 0.00 C ATOM 527 O ASP A 34 71.880 -7.841 10.690 1.00 0.00 O ATOM 528 CB ASP A 34 72.231 -5.699 8.263 1.00 0.00 C ATOM 529 CG ASP A 34 72.755 -4.387 7.683 1.00 0.00 C ATOM 530 OD1 ASP A 34 72.860 -3.427 8.430 1.00 0.00 O ATOM 531 OD2 ASP A 34 73.045 -4.362 6.501 1.00 0.00 O ATOM 0 H ASP A 34 74.002 -4.974 10.755 1.00 0.00 H new ATOM 0 HA ASP A 34 71.873 -4.683 10.110 1.00 0.00 H new ATOM 0 HB2 ASP A 34 72.837 -6.531 7.906 1.00 0.00 H new ATOM 0 HB3 ASP A 34 71.212 -5.876 7.919 1.00 0.00 H new ATOM 536 N LEU A 35 70.103 -6.470 10.560 1.00 0.00 N ATOM 537 CA LEU A 35 69.179 -7.456 11.141 1.00 0.00 C ATOM 538 C LEU A 35 68.018 -7.756 10.205 1.00 0.00 C ATOM 539 O LEU A 35 66.897 -7.309 10.418 1.00 0.00 O ATOM 540 CB LEU A 35 68.641 -6.945 12.482 1.00 0.00 C ATOM 541 CG LEU A 35 69.784 -6.888 13.506 1.00 0.00 C ATOM 542 CD1 LEU A 35 69.314 -6.133 14.757 1.00 0.00 C ATOM 543 CD2 LEU A 35 70.237 -8.314 13.895 1.00 0.00 C ATOM 0 H LEU A 35 69.674 -5.577 10.316 1.00 0.00 H new ATOM 0 HA LEU A 35 69.736 -8.380 11.296 1.00 0.00 H new ATOM 0 HB2 LEU A 35 68.202 -5.955 12.356 1.00 0.00 H new ATOM 0 HB3 LEU A 35 67.849 -7.602 12.842 1.00 0.00 H new ATOM 0 HG LEU A 35 70.630 -6.366 13.059 1.00 0.00 H new ATOM 0 HD11 LEU A 35 70.125 -6.093 15.484 1.00 0.00 H new ATOM 0 HD12 LEU A 35 69.022 -5.119 14.482 1.00 0.00 H new ATOM 0 HD13 LEU A 35 68.460 -6.650 15.195 1.00 0.00 H new ATOM 0 HD21 LEU A 35 71.047 -8.253 14.621 1.00 0.00 H new ATOM 0 HD22 LEU A 35 69.398 -8.856 14.332 1.00 0.00 H new ATOM 0 HD23 LEU A 35 70.585 -8.840 13.006 1.00 0.00 H new ATOM 555 N VAL A 36 68.293 -8.553 9.181 1.00 0.00 N ATOM 556 CA VAL A 36 67.275 -8.960 8.212 1.00 0.00 C ATOM 557 C VAL A 36 67.129 -10.476 8.274 1.00 0.00 C ATOM 558 O VAL A 36 68.122 -11.204 8.247 1.00 0.00 O ATOM 559 CB VAL A 36 67.676 -8.493 6.784 1.00 0.00 C ATOM 560 CG1 VAL A 36 69.205 -8.393 6.694 1.00 0.00 C ATOM 561 CG2 VAL A 36 67.177 -9.497 5.728 1.00 0.00 C ATOM 0 H VAL A 36 69.220 -8.935 8.996 1.00 0.00 H new ATOM 0 HA VAL A 36 66.318 -8.496 8.452 1.00 0.00 H new ATOM 0 HB VAL A 36 67.222 -7.521 6.593 1.00 0.00 H new ATOM 0 HG11 VAL A 36 69.490 -8.066 5.694 1.00 0.00 H new ATOM 0 HG12 VAL A 36 69.566 -7.673 7.428 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.646 -9.369 6.896 1.00 0.00 H new ATOM 0 HG21 VAL A 36 67.466 -9.154 4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 36 67.620 -10.475 5.918 1.00 0.00 H new ATOM 0 HG23 VAL A 36 66.091 -9.574 5.783 1.00 0.00 H new ATOM 571 N GLU A 37 65.890 -10.946 8.360 1.00 0.00 N ATOM 572 CA GLU A 37 65.620 -12.381 8.424 1.00 0.00 C ATOM 573 C GLU A 37 64.690 -12.793 7.294 1.00 0.00 C ATOM 574 O GLU A 37 63.572 -12.292 7.186 1.00 0.00 O ATOM 575 CB GLU A 37 64.965 -12.740 9.759 1.00 0.00 C ATOM 576 CG GLU A 37 65.969 -12.550 10.898 1.00 0.00 C ATOM 577 CD GLU A 37 65.294 -12.838 12.235 1.00 0.00 C ATOM 578 OE1 GLU A 37 64.159 -12.425 12.404 1.00 0.00 O ATOM 579 OE2 GLU A 37 65.923 -13.466 13.071 1.00 0.00 O ATOM 0 H GLU A 37 65.057 -10.358 8.387 1.00 0.00 H new ATOM 0 HA GLU A 37 66.569 -12.909 8.329 1.00 0.00 H new ATOM 0 HB2 GLU A 37 64.090 -12.112 9.925 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.617 -13.773 9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 37 66.821 -13.216 10.759 1.00 0.00 H new ATOM 0 HG3 GLU A 37 66.356 -11.531 10.888 1.00 0.00 H new ATOM 586 N VAL A 38 65.151 -13.726 6.460 1.00 0.00 N ATOM 587 CA VAL A 38 64.347 -14.221 5.346 1.00 0.00 C ATOM 588 C VAL A 38 64.031 -15.697 5.563 1.00 0.00 C ATOM 589 O VAL A 38 64.919 -16.498 5.868 1.00 0.00 O ATOM 590 CB VAL A 38 65.099 -14.044 4.021 1.00 0.00 C ATOM 591 CG1 VAL A 38 65.256 -12.556 3.713 1.00 0.00 C ATOM 592 CG2 VAL A 38 66.486 -14.679 4.110 1.00 0.00 C ATOM 0 H VAL A 38 66.075 -14.152 6.536 1.00 0.00 H new ATOM 0 HA VAL A 38 63.420 -13.650 5.300 1.00 0.00 H new ATOM 0 HB VAL A 38 64.528 -14.530 3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 38 65.791 -12.434 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 38 64.271 -12.095 3.634 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.818 -12.076 4.514 1.00 0.00 H new ATOM 0 HG21 VAL A 38 67.009 -14.546 3.163 1.00 0.00 H new ATOM 0 HG22 VAL A 38 67.054 -14.201 4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 38 66.386 -15.743 4.323 1.00 0.00 H new ATOM 602 N MET A 39 62.753 -16.040 5.415 1.00 0.00 N ATOM 603 CA MET A 39 62.294 -17.415 5.600 1.00 0.00 C ATOM 604 C MET A 39 62.320 -18.155 4.266 1.00 0.00 C ATOM 605 O MET A 39 62.192 -17.538 3.209 1.00 0.00 O ATOM 606 CB MET A 39 60.868 -17.393 6.153 1.00 0.00 C ATOM 607 CG MET A 39 60.503 -18.758 6.736 1.00 0.00 C ATOM 608 SD MET A 39 61.403 -19.017 8.290 1.00 0.00 S ATOM 609 CE MET A 39 59.987 -18.953 9.417 1.00 0.00 C ATOM 0 H MET A 39 62.014 -15.382 5.167 1.00 0.00 H new ATOM 0 HA MET A 39 62.952 -17.930 6.300 1.00 0.00 H new ATOM 0 HB2 MET A 39 60.781 -16.626 6.923 1.00 0.00 H new ATOM 0 HB3 MET A 39 60.168 -17.130 5.360 1.00 0.00 H new ATOM 0 HG2 MET A 39 59.429 -18.814 6.913 1.00 0.00 H new ATOM 0 HG3 MET A 39 60.750 -19.546 6.025 1.00 0.00 H new ATOM 0 HE1 MET A 39 60.331 -19.093 10.442 1.00 0.00 H new ATOM 0 HE2 MET A 39 59.495 -17.984 9.329 1.00 0.00 H new ATOM 0 HE3 MET A 39 59.281 -19.743 9.160 1.00 0.00 H new ATOM 619 N THR A 40 62.494 -19.472 4.317 1.00 0.00 N ATOM 620 CA THR A 40 62.540 -20.268 3.094 1.00 0.00 C ATOM 621 C THR A 40 62.171 -21.722 3.385 1.00 0.00 C ATOM 622 O THR A 40 61.002 -22.100 3.315 1.00 0.00 O ATOM 623 CB THR A 40 63.944 -20.200 2.476 1.00 0.00 C ATOM 624 OG1 THR A 40 64.214 -21.407 1.777 1.00 0.00 O ATOM 625 CG2 THR A 40 64.991 -20.007 3.577 1.00 0.00 C ATOM 0 H THR A 40 62.604 -20.006 5.179 1.00 0.00 H new ATOM 0 HA THR A 40 61.817 -19.860 2.388 1.00 0.00 H new ATOM 0 HB THR A 40 63.989 -19.358 1.786 1.00 0.00 H new ATOM 0 HG1 THR A 40 65.116 -21.369 1.395 1.00 0.00 H new ATOM 0 HG21 THR A 40 65.984 -19.960 3.130 1.00 0.00 H new ATOM 0 HG22 THR A 40 64.789 -19.079 4.112 1.00 0.00 H new ATOM 0 HG23 THR A 40 64.946 -20.845 4.273 1.00 0.00 H new ATOM 633 N ASP A 41 63.175 -22.532 3.709 1.00 0.00 N ATOM 634 CA ASP A 41 62.932 -23.950 4.005 1.00 0.00 C ATOM 635 C ASP A 41 62.327 -24.104 5.400 1.00 0.00 C ATOM 636 O ASP A 41 62.742 -24.966 6.176 1.00 0.00 O ATOM 637 CB ASP A 41 64.247 -24.728 3.926 1.00 0.00 C ATOM 638 CG ASP A 41 64.698 -24.845 2.475 1.00 0.00 C ATOM 639 OD1 ASP A 41 63.928 -24.482 1.600 1.00 0.00 O ATOM 640 OD2 ASP A 41 65.808 -25.303 2.257 1.00 0.00 O ATOM 0 H ASP A 41 64.151 -22.242 3.774 1.00 0.00 H new ATOM 0 HA ASP A 41 62.231 -24.347 3.270 1.00 0.00 H new ATOM 0 HB2 ASP A 41 65.013 -24.223 4.514 1.00 0.00 H new ATOM 0 HB3 ASP A 41 64.118 -25.721 4.356 1.00 0.00 H new ATOM 645 N LYS A 42 61.345 -23.260 5.717 1.00 0.00 N ATOM 646 CA LYS A 42 60.693 -23.310 7.022 1.00 0.00 C ATOM 647 C LYS A 42 61.712 -23.113 8.139 1.00 0.00 C ATOM 648 O LYS A 42 61.603 -23.717 9.206 1.00 0.00 O ATOM 649 CB LYS A 42 59.984 -24.658 7.209 1.00 0.00 C ATOM 650 CG LYS A 42 59.051 -24.955 6.023 1.00 0.00 C ATOM 651 CD LYS A 42 57.817 -24.042 6.042 1.00 0.00 C ATOM 652 CE LYS A 42 56.895 -24.444 4.888 1.00 0.00 C ATOM 653 NZ LYS A 42 55.724 -23.522 4.835 1.00 0.00 N ATOM 0 H LYS A 42 60.987 -22.539 5.091 1.00 0.00 H new ATOM 0 HA LYS A 42 59.959 -22.506 7.067 1.00 0.00 H new ATOM 0 HB2 LYS A 42 60.724 -25.453 7.303 1.00 0.00 H new ATOM 0 HB3 LYS A 42 59.409 -24.646 8.135 1.00 0.00 H new ATOM 0 HG2 LYS A 42 59.593 -24.818 5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 42 58.735 -25.998 6.058 1.00 0.00 H new ATOM 0 HD2 LYS A 42 57.294 -24.133 6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 42 58.116 -22.999 5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 42 57.440 -24.409 3.945 1.00 0.00 H new ATOM 0 HE3 LYS A 42 56.556 -25.471 5.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 55.100 -23.798 4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 55.198 -23.577 5.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 56.056 -22.548 4.687 1.00 0.00 H new ATOM 667 N VAL A 43 62.680 -22.235 7.896 1.00 0.00 N ATOM 668 CA VAL A 43 63.703 -21.927 8.897 1.00 0.00 C ATOM 669 C VAL A 43 64.134 -20.472 8.759 1.00 0.00 C ATOM 670 O VAL A 43 63.942 -19.857 7.709 1.00 0.00 O ATOM 671 CB VAL A 43 64.924 -22.855 8.771 1.00 0.00 C ATOM 672 CG1 VAL A 43 64.512 -24.293 9.094 1.00 0.00 C ATOM 673 CG2 VAL A 43 65.517 -22.798 7.357 1.00 0.00 C ATOM 0 H VAL A 43 62.780 -21.724 7.019 1.00 0.00 H new ATOM 0 HA VAL A 43 63.268 -22.090 9.883 1.00 0.00 H new ATOM 0 HB VAL A 43 65.683 -22.519 9.477 1.00 0.00 H new ATOM 0 HG11 VAL A 43 65.378 -24.949 9.004 1.00 0.00 H new ATOM 0 HG12 VAL A 43 64.125 -24.341 10.112 1.00 0.00 H new ATOM 0 HG13 VAL A 43 63.739 -24.615 8.396 1.00 0.00 H new ATOM 0 HG21 VAL A 43 66.378 -23.463 7.297 1.00 0.00 H new ATOM 0 HG22 VAL A 43 64.764 -23.112 6.634 1.00 0.00 H new ATOM 0 HG23 VAL A 43 65.830 -21.778 7.135 1.00 0.00 H new ATOM 683 N THR A 44 64.711 -19.913 9.822 1.00 0.00 N ATOM 684 CA THR A 44 65.152 -18.514 9.798 1.00 0.00 C ATOM 685 C THR A 44 66.655 -18.426 9.556 1.00 0.00 C ATOM 686 O THR A 44 67.454 -18.921 10.350 1.00 0.00 O ATOM 687 CB THR A 44 64.809 -17.843 11.136 1.00 0.00 C ATOM 688 OG1 THR A 44 63.502 -18.237 11.531 1.00 0.00 O ATOM 689 CG2 THR A 44 64.840 -16.318 10.994 1.00 0.00 C ATOM 0 H THR A 44 64.884 -20.398 10.702 1.00 0.00 H new ATOM 0 HA THR A 44 64.637 -18.002 8.985 1.00 0.00 H new ATOM 0 HB THR A 44 65.543 -18.149 11.881 1.00 0.00 H new ATOM 0 HG1 THR A 44 63.277 -17.814 12.386 1.00 0.00 H new ATOM 0 HG21 THR A 44 64.595 -15.858 11.951 1.00 0.00 H new ATOM 0 HG22 THR A 44 65.836 -16.002 10.684 1.00 0.00 H new ATOM 0 HG23 THR A 44 64.111 -16.007 10.245 1.00 0.00 H new ATOM 697 N VAL A 45 67.033 -17.786 8.448 1.00 0.00 N ATOM 698 CA VAL A 45 68.451 -17.623 8.093 1.00 0.00 C ATOM 699 C VAL A 45 68.816 -16.142 8.010 1.00 0.00 C ATOM 700 O VAL A 45 68.117 -15.349 7.376 1.00 0.00 O ATOM 701 CB VAL A 45 68.749 -18.304 6.754 1.00 0.00 C ATOM 702 CG1 VAL A 45 68.607 -19.819 6.913 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.765 -17.811 5.693 1.00 0.00 C ATOM 0 H VAL A 45 66.382 -17.372 7.781 1.00 0.00 H new ATOM 0 HA VAL A 45 69.052 -18.092 8.872 1.00 0.00 H new ATOM 0 HB VAL A 45 69.765 -18.061 6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.819 -20.306 5.961 1.00 0.00 H new ATOM 0 HG12 VAL A 45 69.311 -20.173 7.666 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.590 -20.058 7.225 1.00 0.00 H new ATOM 0 HG21 VAL A 45 67.981 -18.298 4.742 1.00 0.00 H new ATOM 0 HG22 VAL A 45 66.747 -18.051 6.001 1.00 0.00 H new ATOM 0 HG23 VAL A 45 67.864 -16.732 5.578 1.00 0.00 H new ATOM 713 N LYS A 46 69.909 -15.769 8.678 1.00 0.00 N ATOM 714 CA LYS A 46 70.366 -14.376 8.698 1.00 0.00 C ATOM 715 C LYS A 46 71.421 -14.138 7.619 1.00 0.00 C ATOM 716 O LYS A 46 72.296 -14.977 7.398 1.00 0.00 O ATOM 717 CB LYS A 46 70.943 -14.052 10.076 1.00 0.00 C ATOM 718 CG LYS A 46 71.311 -12.570 10.153 1.00 0.00 C ATOM 719 CD LYS A 46 71.779 -12.241 11.572 1.00 0.00 C ATOM 720 CE LYS A 46 72.111 -10.752 11.667 1.00 0.00 C ATOM 721 NZ LYS A 46 73.306 -10.453 10.832 1.00 0.00 N ATOM 0 H LYS A 46 70.495 -16.411 9.212 1.00 0.00 H new ATOM 0 HA LYS A 46 69.518 -13.723 8.494 1.00 0.00 H new ATOM 0 HB2 LYS A 46 70.216 -14.295 10.850 1.00 0.00 H new ATOM 0 HB3 LYS A 46 71.825 -14.664 10.263 1.00 0.00 H new ATOM 0 HG2 LYS A 46 72.099 -12.341 9.435 1.00 0.00 H new ATOM 0 HG3 LYS A 46 70.450 -11.955 9.889 1.00 0.00 H new ATOM 0 HD2 LYS A 46 71.001 -12.498 12.291 1.00 0.00 H new ATOM 0 HD3 LYS A 46 72.656 -12.837 11.824 1.00 0.00 H new ATOM 0 HE2 LYS A 46 71.262 -10.157 11.330 1.00 0.00 H new ATOM 0 HE3 LYS A 46 72.302 -10.477 12.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 74.099 -10.179 11.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 73.567 -11.298 10.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 73.088 -9.673 10.180 1.00 0.00 H new ATOM 735 N ILE A 47 71.327 -12.989 6.941 1.00 0.00 N ATOM 736 CA ILE A 47 72.272 -12.637 5.869 1.00 0.00 C ATOM 737 C ILE A 47 72.816 -11.216 6.087 1.00 0.00 C ATOM 738 O ILE A 47 72.193 -10.245 5.659 1.00 0.00 O ATOM 739 CB ILE A 47 71.551 -12.702 4.521 1.00 0.00 C ATOM 740 CG1 ILE A 47 71.135 -14.150 4.243 1.00 0.00 C ATOM 741 CG2 ILE A 47 72.487 -12.219 3.411 1.00 0.00 C ATOM 742 CD1 ILE A 47 70.195 -14.191 3.036 1.00 0.00 C ATOM 0 H ILE A 47 70.608 -12.286 7.113 1.00 0.00 H new ATOM 0 HA ILE A 47 73.104 -13.341 5.881 1.00 0.00 H new ATOM 0 HB ILE A 47 70.668 -12.063 4.549 1.00 0.00 H new ATOM 0 HG12 ILE A 47 72.016 -14.762 4.051 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.639 -14.571 5.118 1.00 0.00 H new ATOM 0 HG21 ILE A 47 71.970 -12.267 2.453 1.00 0.00 H new ATOM 0 HG22 ILE A 47 72.787 -11.190 3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 47 73.371 -12.855 3.378 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.900 -15.222 2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 47 69.308 -13.593 3.245 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.707 -13.787 2.162 1.00 0.00 H new ATOM 754 N PRO A 48 73.944 -11.063 6.753 1.00 0.00 N ATOM 755 CA PRO A 48 74.529 -9.715 7.032 1.00 0.00 C ATOM 756 C PRO A 48 75.291 -9.128 5.834 1.00 0.00 C ATOM 757 O PRO A 48 75.964 -9.854 5.106 1.00 0.00 O ATOM 758 CB PRO A 48 75.470 -9.991 8.214 1.00 0.00 C ATOM 759 CG PRO A 48 75.938 -11.397 8.010 1.00 0.00 C ATOM 760 CD PRO A 48 74.797 -12.142 7.301 1.00 0.00 C ATOM 0 HA PRO A 48 73.763 -8.969 7.242 1.00 0.00 H new ATOM 0 HB2 PRO A 48 76.307 -9.293 8.224 1.00 0.00 H new ATOM 0 HB3 PRO A 48 74.951 -9.881 9.166 1.00 0.00 H new ATOM 0 HG2 PRO A 48 76.847 -11.419 7.409 1.00 0.00 H new ATOM 0 HG3 PRO A 48 76.175 -11.869 8.964 1.00 0.00 H new ATOM 0 HD2 PRO A 48 75.175 -12.791 6.511 1.00 0.00 H new ATOM 0 HD3 PRO A 48 74.243 -12.774 7.995 1.00 0.00 H new ATOM 768 N SER A 49 75.194 -7.802 5.665 1.00 0.00 N ATOM 769 CA SER A 49 75.893 -7.097 4.582 1.00 0.00 C ATOM 770 C SER A 49 75.146 -7.179 3.249 1.00 0.00 C ATOM 771 O SER A 49 75.606 -7.816 2.301 1.00 0.00 O ATOM 772 CB SER A 49 77.317 -7.650 4.423 1.00 0.00 C ATOM 773 OG SER A 49 77.303 -8.778 3.558 1.00 0.00 O ATOM 0 H SER A 49 74.637 -7.195 6.266 1.00 0.00 H new ATOM 0 HA SER A 49 75.936 -6.044 4.862 1.00 0.00 H new ATOM 0 HB2 SER A 49 77.973 -6.879 4.019 1.00 0.00 H new ATOM 0 HB3 SER A 49 77.718 -7.932 5.397 1.00 0.00 H new ATOM 0 HG SER A 49 76.578 -9.383 3.821 1.00 0.00 H new ATOM 779 N PRO A 50 74.024 -6.518 3.145 1.00 0.00 N ATOM 780 CA PRO A 50 73.216 -6.488 1.898 1.00 0.00 C ATOM 781 C PRO A 50 73.636 -5.346 0.963 1.00 0.00 C ATOM 782 O PRO A 50 72.831 -4.864 0.170 1.00 0.00 O ATOM 783 CB PRO A 50 71.804 -6.273 2.426 1.00 0.00 C ATOM 784 CG PRO A 50 71.988 -5.401 3.634 1.00 0.00 C ATOM 785 CD PRO A 50 73.388 -5.723 4.207 1.00 0.00 C ATOM 0 HA PRO A 50 73.331 -7.390 1.297 1.00 0.00 H new ATOM 0 HB2 PRO A 50 71.170 -5.792 1.681 1.00 0.00 H new ATOM 0 HB3 PRO A 50 71.329 -7.219 2.687 1.00 0.00 H new ATOM 0 HG2 PRO A 50 71.913 -4.347 3.365 1.00 0.00 H new ATOM 0 HG3 PRO A 50 71.213 -5.597 4.374 1.00 0.00 H new ATOM 0 HD2 PRO A 50 73.952 -4.815 4.420 1.00 0.00 H new ATOM 0 HD3 PRO A 50 73.320 -6.282 5.140 1.00 0.00 H new ATOM 793 N VAL A 51 74.903 -4.933 1.064 1.00 0.00 N ATOM 794 CA VAL A 51 75.436 -3.850 0.215 1.00 0.00 C ATOM 795 C VAL A 51 74.826 -2.494 0.599 1.00 0.00 C ATOM 796 O VAL A 51 73.622 -2.288 0.455 1.00 0.00 O ATOM 797 CB VAL A 51 75.151 -4.155 -1.268 1.00 0.00 C ATOM 798 CG1 VAL A 51 76.029 -3.262 -2.153 1.00 0.00 C ATOM 799 CG2 VAL A 51 75.478 -5.631 -1.558 1.00 0.00 C ATOM 0 H VAL A 51 75.579 -5.326 1.719 1.00 0.00 H new ATOM 0 HA VAL A 51 76.513 -3.794 0.372 1.00 0.00 H new ATOM 0 HB VAL A 51 74.100 -3.962 -1.482 1.00 0.00 H new ATOM 0 HG11 VAL A 51 75.827 -3.478 -3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 51 75.805 -2.215 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 51 77.080 -3.457 -1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 51 75.277 -5.849 -2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 51 76.530 -5.820 -1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 51 74.859 -6.271 -0.929 1.00 0.00 H new ATOM 809 N ARG A 52 75.667 -1.573 1.091 1.00 0.00 N ATOM 810 CA ARG A 52 75.207 -0.246 1.499 1.00 0.00 C ATOM 811 C ARG A 52 75.025 0.690 0.306 1.00 0.00 C ATOM 812 O ARG A 52 75.757 0.612 -0.680 1.00 0.00 O ATOM 813 CB ARG A 52 76.226 0.371 2.463 1.00 0.00 C ATOM 814 CG ARG A 52 77.593 0.468 1.785 1.00 0.00 C ATOM 815 CD ARG A 52 78.607 1.058 2.767 1.00 0.00 C ATOM 816 NE ARG A 52 79.920 1.158 2.132 1.00 0.00 N ATOM 817 CZ ARG A 52 80.272 2.232 1.431 1.00 0.00 C ATOM 818 NH1 ARG A 52 79.438 3.226 1.291 1.00 0.00 N ATOM 819 NH2 ARG A 52 81.450 2.287 0.872 1.00 0.00 N ATOM 0 H ARG A 52 76.668 -1.726 1.214 1.00 0.00 H new ATOM 0 HA ARG A 52 74.239 -0.368 1.984 1.00 0.00 H new ATOM 0 HB2 ARG A 52 75.893 1.362 2.772 1.00 0.00 H new ATOM 0 HB3 ARG A 52 76.300 -0.237 3.365 1.00 0.00 H new ATOM 0 HG2 ARG A 52 77.919 -0.519 1.457 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.526 1.093 0.895 1.00 0.00 H new ATOM 0 HD2 ARG A 52 78.277 2.044 3.095 1.00 0.00 H new ATOM 0 HD3 ARG A 52 78.671 0.431 3.656 1.00 0.00 H new ATOM 0 HE ARG A 52 80.581 0.387 2.229 1.00 0.00 H new ATOM 0 HH11 ARG A 52 78.514 3.180 1.720 1.00 0.00 H new ATOM 0 HH12 ARG A 52 79.711 4.049 0.753 1.00 0.00 H new ATOM 0 HH21 ARG A 52 82.099 1.507 0.973 1.00 0.00 H new ATOM 0 HH22 ARG A 52 81.721 3.110 0.334 1.00 0.00 H new ATOM 833 N GLY A 53 74.048 1.592 0.427 1.00 0.00 N ATOM 834 CA GLY A 53 73.771 2.566 -0.624 1.00 0.00 C ATOM 835 C GLY A 53 72.533 3.395 -0.277 1.00 0.00 C ATOM 836 O GLY A 53 72.398 3.875 0.849 1.00 0.00 O ATOM 0 H GLY A 53 73.438 1.666 1.241 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.631 3.223 -0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.617 2.052 -1.573 1.00 0.00 H new ATOM 840 N LYS A 54 71.632 3.568 -1.250 1.00 0.00 N ATOM 841 CA LYS A 54 70.408 4.350 -1.039 1.00 0.00 C ATOM 842 C LYS A 54 69.181 3.491 -1.334 1.00 0.00 C ATOM 843 O LYS A 54 69.136 2.790 -2.346 1.00 0.00 O ATOM 844 CB LYS A 54 70.418 5.565 -1.979 1.00 0.00 C ATOM 845 CG LYS A 54 69.204 6.454 -1.701 1.00 0.00 C ATOM 846 CD LYS A 54 69.258 7.680 -2.614 1.00 0.00 C ATOM 847 CE LYS A 54 68.057 8.584 -2.324 1.00 0.00 C ATOM 848 NZ LYS A 54 68.135 9.806 -3.172 1.00 0.00 N ATOM 0 H LYS A 54 71.726 3.179 -2.188 1.00 0.00 H new ATOM 0 HA LYS A 54 70.368 4.683 -0.002 1.00 0.00 H new ATOM 0 HB2 LYS A 54 71.336 6.136 -1.839 1.00 0.00 H new ATOM 0 HB3 LYS A 54 70.405 5.232 -3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 54 68.283 5.897 -1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 54 69.197 6.764 -0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 54 70.187 8.227 -2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 54 69.249 7.370 -3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 54 67.129 8.048 -2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 54 68.044 8.861 -1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 67.318 10.419 -2.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 69.014 10.320 -2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 68.127 9.533 -4.176 1.00 0.00 H new ATOM 862 N ILE A 55 68.187 3.549 -0.447 1.00 0.00 N ATOM 863 CA ILE A 55 66.961 2.775 -0.618 1.00 0.00 C ATOM 864 C ILE A 55 65.918 3.628 -1.345 1.00 0.00 C ATOM 865 O ILE A 55 65.543 4.699 -0.868 1.00 0.00 O ATOM 866 CB ILE A 55 66.436 2.372 0.768 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.617 1.983 1.674 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.489 1.171 0.651 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.468 0.899 0.999 1.00 0.00 C ATOM 0 H ILE A 55 68.208 4.124 0.395 1.00 0.00 H new ATOM 0 HA ILE A 55 67.160 1.881 -1.209 1.00 0.00 H new ATOM 0 HB ILE A 55 65.898 3.218 1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.230 2.860 1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.246 1.620 2.632 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.125 0.897 1.641 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.645 1.434 0.014 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.024 0.327 0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.301 0.632 1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 55 67.855 0.017 0.815 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.854 1.277 0.052 1.00 0.00 H new ATOM 881 N VAL A 56 65.474 3.167 -2.514 1.00 0.00 N ATOM 882 CA VAL A 56 64.502 3.930 -3.304 1.00 0.00 C ATOM 883 C VAL A 56 63.072 3.764 -2.777 1.00 0.00 C ATOM 884 O VAL A 56 62.381 4.757 -2.546 1.00 0.00 O ATOM 885 CB VAL A 56 64.571 3.504 -4.788 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.321 3.983 -5.549 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.820 4.113 -5.441 1.00 0.00 C ATOM 0 H VAL A 56 65.765 2.283 -2.932 1.00 0.00 H new ATOM 0 HA VAL A 56 64.765 4.984 -3.213 1.00 0.00 H new ATOM 0 HB VAL A 56 64.618 2.416 -4.833 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.389 3.673 -6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.430 3.546 -5.098 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.258 5.070 -5.497 1.00 0.00 H new ATOM 0 HG21 VAL A 56 65.867 3.812 -6.487 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.770 5.200 -5.378 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.711 3.760 -4.921 1.00 0.00 H new ATOM 897 N LYS A 57 62.621 2.525 -2.609 1.00 0.00 N ATOM 898 CA LYS A 57 61.257 2.295 -2.138 1.00 0.00 C ATOM 899 C LYS A 57 61.059 0.832 -1.752 1.00 0.00 C ATOM 900 O LYS A 57 61.800 -0.041 -2.204 1.00 0.00 O ATOM 901 CB LYS A 57 60.266 2.689 -3.248 1.00 0.00 C ATOM 902 CG LYS A 57 58.869 2.967 -2.653 1.00 0.00 C ATOM 903 CD LYS A 57 58.777 4.431 -2.200 1.00 0.00 C ATOM 904 CE LYS A 57 57.377 4.711 -1.653 1.00 0.00 C ATOM 905 NZ LYS A 57 57.285 6.130 -1.207 1.00 0.00 N ATOM 0 H LYS A 57 63.165 1.681 -2.787 1.00 0.00 H new ATOM 0 HA LYS A 57 61.078 2.906 -1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.628 3.575 -3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.201 1.889 -3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.099 2.758 -3.396 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.685 2.303 -1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 57 59.525 4.633 -1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 57 58.991 5.095 -3.037 1.00 0.00 H new ATOM 0 HE2 LYS A 57 56.630 4.512 -2.421 1.00 0.00 H new ATOM 0 HE3 LYS A 57 57.162 4.043 -0.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 56.331 6.316 -0.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 57.988 6.306 -0.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 57.472 6.760 -2.013 1.00 0.00 H new ATOM 919 N ILE A 58 60.060 0.573 -0.907 1.00 0.00 N ATOM 920 CA ILE A 58 59.774 -0.783 -0.449 1.00 0.00 C ATOM 921 C ILE A 58 58.543 -1.362 -1.155 1.00 0.00 C ATOM 922 O ILE A 58 57.455 -0.790 -1.103 1.00 0.00 O ATOM 923 CB ILE A 58 59.548 -0.737 1.072 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.709 -2.144 1.669 1.00 0.00 C ATOM 925 CG2 ILE A 58 58.152 -0.172 1.382 1.00 0.00 C ATOM 926 CD1 ILE A 58 59.042 -2.235 3.049 1.00 0.00 C ATOM 0 H ILE A 58 59.437 1.286 -0.527 1.00 0.00 H new ATOM 0 HA ILE A 58 60.616 -1.432 -0.688 1.00 0.00 H new ATOM 0 HB ILE A 58 60.292 -0.082 1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.267 -2.881 0.998 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.768 -2.387 1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 58 58.002 -0.144 2.461 1.00 0.00 H new ATOM 0 HG22 ILE A 58 58.070 0.837 0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.393 -0.808 0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.170 -3.241 3.450 1.00 0.00 H new ATOM 0 HD12 ILE A 58 59.503 -1.514 3.724 1.00 0.00 H new ATOM 0 HD13 ILE A 58 57.979 -2.015 2.954 1.00 0.00 H new ATOM 938 N LEU A 59 58.728 -2.505 -1.820 1.00 0.00 N ATOM 939 CA LEU A 59 57.632 -3.171 -2.537 1.00 0.00 C ATOM 940 C LEU A 59 57.076 -4.341 -1.723 1.00 0.00 C ATOM 941 O LEU A 59 55.977 -4.825 -1.995 1.00 0.00 O ATOM 942 CB LEU A 59 58.128 -3.690 -3.890 1.00 0.00 C ATOM 943 CG LEU A 59 58.525 -2.523 -4.806 1.00 0.00 C ATOM 944 CD1 LEU A 59 59.204 -3.082 -6.060 1.00 0.00 C ATOM 945 CD2 LEU A 59 57.281 -1.711 -5.217 1.00 0.00 C ATOM 0 H LEU A 59 59.624 -2.990 -1.878 1.00 0.00 H new ATOM 0 HA LEU A 59 56.838 -2.440 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 59 58.983 -4.349 -3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 59 57.347 -4.283 -4.366 1.00 0.00 H new ATOM 0 HG LEU A 59 59.209 -1.866 -4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 59 59.489 -2.260 -6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 59 60.094 -3.643 -5.773 1.00 0.00 H new ATOM 0 HD13 LEU A 59 58.513 -3.742 -6.584 1.00 0.00 H new ATOM 0 HD21 LEU A 59 57.582 -0.888 -5.866 1.00 0.00 H new ATOM 0 HD22 LEU A 59 56.584 -2.358 -5.750 1.00 0.00 H new ATOM 0 HD23 LEU A 59 56.796 -1.312 -4.326 1.00 0.00 H new ATOM 957 N TYR A 60 57.837 -4.802 -0.727 1.00 0.00 N ATOM 958 CA TYR A 60 57.409 -5.929 0.114 1.00 0.00 C ATOM 959 C TYR A 60 56.998 -5.446 1.504 1.00 0.00 C ATOM 960 O TYR A 60 57.608 -4.537 2.064 1.00 0.00 O ATOM 961 CB TYR A 60 58.553 -6.962 0.223 1.00 0.00 C ATOM 962 CG TYR A 60 58.522 -7.888 -0.988 1.00 0.00 C ATOM 963 CD1 TYR A 60 58.594 -7.347 -2.280 1.00 0.00 C ATOM 964 CD2 TYR A 60 58.418 -9.279 -0.811 1.00 0.00 C ATOM 965 CE1 TYR A 60 58.556 -8.192 -3.394 1.00 0.00 C ATOM 966 CE2 TYR A 60 58.382 -10.119 -1.932 1.00 0.00 C ATOM 967 CZ TYR A 60 58.451 -9.577 -3.223 1.00 0.00 C ATOM 968 OH TYR A 60 58.413 -10.408 -4.324 1.00 0.00 O ATOM 0 H TYR A 60 58.749 -4.416 -0.482 1.00 0.00 H new ATOM 0 HA TYR A 60 56.542 -6.400 -0.350 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.514 -6.451 0.278 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.447 -7.542 1.140 1.00 0.00 H new ATOM 0 HD1 TYR A 60 58.679 -6.279 -2.415 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.366 -9.698 0.183 1.00 0.00 H new ATOM 0 HE1 TYR A 60 58.608 -7.775 -4.389 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.301 -11.188 -1.801 1.00 0.00 H new ATOM 0 HH TYR A 60 58.340 -11.339 -4.028 1.00 0.00 H new ATOM 978 N ARG A 61 55.951 -6.078 2.051 1.00 0.00 N ATOM 979 CA ARG A 61 55.438 -5.728 3.379 1.00 0.00 C ATOM 980 C ARG A 61 55.575 -6.915 4.330 1.00 0.00 C ATOM 981 O ARG A 61 55.884 -8.029 3.908 1.00 0.00 O ATOM 982 CB ARG A 61 53.963 -5.331 3.290 1.00 0.00 C ATOM 983 CG ARG A 61 53.819 -4.080 2.423 1.00 0.00 C ATOM 984 CD ARG A 61 52.340 -3.732 2.262 1.00 0.00 C ATOM 985 NE ARG A 61 51.765 -3.370 3.556 1.00 0.00 N ATOM 986 CZ ARG A 61 51.860 -2.133 4.034 1.00 0.00 C ATOM 987 NH1 ARG A 61 52.480 -1.212 3.348 1.00 0.00 N ATOM 988 NH2 ARG A 61 51.325 -1.834 5.185 1.00 0.00 N ATOM 0 H ARG A 61 55.443 -6.835 1.593 1.00 0.00 H new ATOM 0 HA ARG A 61 56.020 -4.888 3.758 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.381 -6.149 2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 61 53.566 -5.142 4.287 1.00 0.00 H new ATOM 0 HG2 ARG A 61 54.351 -3.246 2.880 1.00 0.00 H new ATOM 0 HG3 ARG A 61 54.271 -4.249 1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 61 52.227 -2.905 1.561 1.00 0.00 H new ATOM 0 HD3 ARG A 61 51.802 -4.582 1.841 1.00 0.00 H new ATOM 0 HE ARG A 61 51.281 -4.081 4.104 1.00 0.00 H new ATOM 0 HH11 ARG A 61 52.893 -1.441 2.444 1.00 0.00 H new ATOM 0 HH12 ARG A 61 52.552 -0.263 3.716 1.00 0.00 H new ATOM 0 HH21 ARG A 61 50.833 -2.550 5.720 1.00 0.00 H new ATOM 0 HH22 ARG A 61 51.399 -0.885 5.550 1.00 0.00 H new ATOM 1002 N GLU A 62 55.341 -6.662 5.614 1.00 0.00 N ATOM 1003 CA GLU A 62 55.440 -7.712 6.626 1.00 0.00 C ATOM 1004 C GLU A 62 54.422 -8.824 6.372 1.00 0.00 C ATOM 1005 O GLU A 62 53.249 -8.559 6.114 1.00 0.00 O ATOM 1006 CB GLU A 62 55.198 -7.119 8.017 1.00 0.00 C ATOM 1007 CG GLU A 62 56.356 -6.192 8.387 1.00 0.00 C ATOM 1008 CD GLU A 62 56.085 -5.519 9.728 1.00 0.00 C ATOM 1009 OE1 GLU A 62 55.059 -5.809 10.319 1.00 0.00 O ATOM 1010 OE2 GLU A 62 56.907 -4.716 10.139 1.00 0.00 O ATOM 0 H GLU A 62 55.083 -5.745 5.978 1.00 0.00 H new ATOM 0 HA GLU A 62 56.442 -8.137 6.570 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.258 -6.567 8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 62 55.108 -7.918 8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.284 -6.761 8.439 1.00 0.00 H new ATOM 0 HG3 GLU A 62 56.488 -5.436 7.613 1.00 0.00 H new ATOM 1017 N GLY A 63 54.880 -10.073 6.462 1.00 0.00 N ATOM 1018 CA GLY A 63 53.992 -11.224 6.256 1.00 0.00 C ATOM 1019 C GLY A 63 53.711 -11.467 4.777 1.00 0.00 C ATOM 1020 O GLY A 63 52.884 -12.308 4.426 1.00 0.00 O ATOM 0 H GLY A 63 55.848 -10.315 6.673 1.00 0.00 H new ATOM 0 HA2 GLY A 63 54.445 -12.115 6.691 1.00 0.00 H new ATOM 0 HA3 GLY A 63 53.052 -11.056 6.781 1.00 0.00 H new ATOM 1024 N GLN A 64 54.381 -10.721 3.906 1.00 0.00 N ATOM 1025 CA GLN A 64 54.156 -10.877 2.471 1.00 0.00 C ATOM 1026 C GLN A 64 54.896 -12.095 1.922 1.00 0.00 C ATOM 1027 O GLN A 64 56.079 -12.297 2.192 1.00 0.00 O ATOM 1028 CB GLN A 64 54.601 -9.620 1.726 1.00 0.00 C ATOM 1029 CG GLN A 64 54.312 -9.785 0.233 1.00 0.00 C ATOM 1030 CD GLN A 64 54.532 -8.455 -0.478 1.00 0.00 C ATOM 1031 OE1 GLN A 64 54.505 -7.403 0.158 1.00 0.00 O ATOM 1032 NE2 GLN A 64 54.735 -8.435 -1.768 1.00 0.00 N ATOM 0 H GLN A 64 55.072 -10.015 4.160 1.00 0.00 H new ATOM 0 HA GLN A 64 53.088 -11.029 2.316 1.00 0.00 H new ATOM 0 HB2 GLN A 64 54.075 -8.748 2.115 1.00 0.00 H new ATOM 0 HB3 GLN A 64 55.666 -9.448 1.885 1.00 0.00 H new ATOM 0 HG2 GLN A 64 54.963 -10.549 -0.192 1.00 0.00 H new ATOM 0 HG3 GLN A 64 53.286 -10.123 0.086 1.00 0.00 H new ATOM 0 HE21 GLN A 64 54.757 -9.308 -2.294 1.00 0.00 H new ATOM 0 HE22 GLN A 64 54.871 -7.546 -2.249 1.00 0.00 H new ATOM 1041 N VAL A 65 54.174 -12.908 1.149 1.00 0.00 N ATOM 1042 CA VAL A 65 54.743 -14.122 0.547 1.00 0.00 C ATOM 1043 C VAL A 65 54.488 -14.115 -0.958 1.00 0.00 C ATOM 1044 O VAL A 65 53.371 -13.853 -1.403 1.00 0.00 O ATOM 1045 CB VAL A 65 54.099 -15.366 1.176 1.00 0.00 C ATOM 1046 CG1 VAL A 65 52.573 -15.262 1.079 1.00 0.00 C ATOM 1047 CG2 VAL A 65 54.574 -16.623 0.437 1.00 0.00 C ATOM 0 H VAL A 65 53.192 -12.750 0.923 1.00 0.00 H new ATOM 0 HA VAL A 65 55.817 -14.145 0.731 1.00 0.00 H new ATOM 0 HB VAL A 65 54.392 -15.430 2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 65 52.119 -16.146 1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 65 52.234 -14.372 1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 65 52.279 -15.193 0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 65 54.115 -17.504 0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.286 -16.559 -0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 65 55.659 -16.701 0.512 1.00 0.00 H new ATOM 1057 N VAL A 66 55.531 -14.394 -1.740 1.00 0.00 N ATOM 1058 CA VAL A 66 55.412 -14.397 -3.204 1.00 0.00 C ATOM 1059 C VAL A 66 56.325 -15.474 -3.820 1.00 0.00 C ATOM 1060 O VAL A 66 57.457 -15.642 -3.364 1.00 0.00 O ATOM 1061 CB VAL A 66 55.828 -13.015 -3.730 1.00 0.00 C ATOM 1062 CG1 VAL A 66 55.308 -12.803 -5.155 1.00 0.00 C ATOM 1063 CG2 VAL A 66 55.253 -11.932 -2.814 1.00 0.00 C ATOM 0 H VAL A 66 56.462 -14.620 -1.391 1.00 0.00 H new ATOM 0 HA VAL A 66 54.381 -14.618 -3.482 1.00 0.00 H new ATOM 0 HB VAL A 66 56.916 -12.956 -3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 66 55.612 -11.819 -5.511 1.00 0.00 H new ATOM 0 HG12 VAL A 66 55.721 -13.570 -5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.220 -12.870 -5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.546 -10.949 -3.184 1.00 0.00 H new ATOM 0 HG22 VAL A 66 54.166 -12.006 -2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.637 -12.069 -1.803 1.00 0.00 H new ATOM 1073 N PRO A 67 55.900 -16.195 -4.847 1.00 0.00 N ATOM 1074 CA PRO A 67 56.777 -17.229 -5.479 1.00 0.00 C ATOM 1075 C PRO A 67 58.168 -16.681 -5.815 1.00 0.00 C ATOM 1076 O PRO A 67 58.328 -15.500 -6.127 1.00 0.00 O ATOM 1077 CB PRO A 67 56.024 -17.640 -6.756 1.00 0.00 C ATOM 1078 CG PRO A 67 54.585 -17.309 -6.499 1.00 0.00 C ATOM 1079 CD PRO A 67 54.566 -16.143 -5.499 1.00 0.00 C ATOM 0 HA PRO A 67 56.957 -18.068 -4.806 1.00 0.00 H new ATOM 0 HB2 PRO A 67 56.401 -17.100 -7.625 1.00 0.00 H new ATOM 0 HB3 PRO A 67 56.151 -18.703 -6.961 1.00 0.00 H new ATOM 0 HG2 PRO A 67 54.081 -17.032 -7.425 1.00 0.00 H new ATOM 0 HG3 PRO A 67 54.056 -18.173 -6.095 1.00 0.00 H new ATOM 0 HD2 PRO A 67 54.407 -15.190 -6.003 1.00 0.00 H new ATOM 0 HD3 PRO A 67 53.763 -16.257 -4.771 1.00 0.00 H new ATOM 1087 N VAL A 68 59.167 -17.556 -5.723 1.00 0.00 N ATOM 1088 CA VAL A 68 60.557 -17.185 -5.996 1.00 0.00 C ATOM 1089 C VAL A 68 60.731 -16.680 -7.426 1.00 0.00 C ATOM 1090 O VAL A 68 60.292 -17.312 -8.387 1.00 0.00 O ATOM 1091 CB VAL A 68 61.458 -18.408 -5.769 1.00 0.00 C ATOM 1092 CG1 VAL A 68 60.964 -19.581 -6.617 1.00 0.00 C ATOM 1093 CG2 VAL A 68 62.903 -18.079 -6.160 1.00 0.00 C ATOM 0 H VAL A 68 59.040 -18.533 -5.460 1.00 0.00 H new ATOM 0 HA VAL A 68 60.836 -16.378 -5.319 1.00 0.00 H new ATOM 0 HB VAL A 68 61.421 -18.677 -4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 68 61.607 -20.446 -6.452 1.00 0.00 H new ATOM 0 HG12 VAL A 68 59.941 -19.830 -6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 68 60.991 -19.305 -7.671 1.00 0.00 H new ATOM 0 HG21 VAL A 68 63.533 -18.953 -5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 68 62.940 -17.799 -7.213 1.00 0.00 H new ATOM 0 HG23 VAL A 68 63.265 -17.251 -5.551 1.00 0.00 H new ATOM 1103 N GLY A 69 61.384 -15.525 -7.549 1.00 0.00 N ATOM 1104 CA GLY A 69 61.637 -14.908 -8.856 1.00 0.00 C ATOM 1105 C GLY A 69 61.041 -13.504 -8.919 1.00 0.00 C ATOM 1106 O GLY A 69 60.241 -13.202 -9.805 1.00 0.00 O ATOM 0 H GLY A 69 61.749 -14.994 -6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.711 -14.860 -9.039 1.00 0.00 H new ATOM 0 HA3 GLY A 69 61.207 -15.526 -9.644 1.00 0.00 H new ATOM 1110 N SER A 70 61.432 -12.643 -7.978 1.00 0.00 N ATOM 1111 CA SER A 70 60.920 -11.272 -7.948 1.00 0.00 C ATOM 1112 C SER A 70 61.933 -10.320 -7.322 1.00 0.00 C ATOM 1113 O SER A 70 62.986 -10.739 -6.843 1.00 0.00 O ATOM 1114 CB SER A 70 59.623 -11.217 -7.149 1.00 0.00 C ATOM 1115 OG SER A 70 58.771 -12.277 -7.561 1.00 0.00 O ATOM 0 H SER A 70 62.094 -12.867 -7.235 1.00 0.00 H new ATOM 0 HA SER A 70 60.736 -10.961 -8.977 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.836 -11.300 -6.083 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.129 -10.258 -7.302 1.00 0.00 H new ATOM 0 HG SER A 70 57.937 -12.245 -7.048 1.00 0.00 H new ATOM 1121 N THR A 71 61.587 -9.035 -7.335 1.00 0.00 N ATOM 1122 CA THR A 71 62.439 -7.988 -6.774 1.00 0.00 C ATOM 1123 C THR A 71 61.930 -7.575 -5.393 1.00 0.00 C ATOM 1124 O THR A 71 60.882 -6.939 -5.269 1.00 0.00 O ATOM 1125 CB THR A 71 62.414 -6.783 -7.725 1.00 0.00 C ATOM 1126 OG1 THR A 71 63.204 -7.073 -8.869 1.00 0.00 O ATOM 1127 CG2 THR A 71 62.957 -5.530 -7.031 1.00 0.00 C ATOM 0 H THR A 71 60.713 -8.691 -7.732 1.00 0.00 H new ATOM 0 HA THR A 71 63.458 -8.358 -6.665 1.00 0.00 H new ATOM 0 HB THR A 71 61.383 -6.593 -8.022 1.00 0.00 H new ATOM 0 HG1 THR A 71 63.189 -6.307 -9.480 1.00 0.00 H new ATOM 0 HG21 THR A 71 62.930 -4.689 -7.724 1.00 0.00 H new ATOM 0 HG22 THR A 71 62.343 -5.302 -6.160 1.00 0.00 H new ATOM 0 HG23 THR A 71 63.985 -5.706 -6.715 1.00 0.00 H new ATOM 1135 N LEU A 72 62.681 -7.931 -4.359 1.00 0.00 N ATOM 1136 CA LEU A 72 62.288 -7.581 -2.997 1.00 0.00 C ATOM 1137 C LEU A 72 62.401 -6.076 -2.766 1.00 0.00 C ATOM 1138 O LEU A 72 61.516 -5.455 -2.177 1.00 0.00 O ATOM 1139 CB LEU A 72 63.191 -8.301 -1.995 1.00 0.00 C ATOM 1140 CG LEU A 72 62.991 -9.822 -2.081 1.00 0.00 C ATOM 1141 CD1 LEU A 72 63.977 -10.510 -1.129 1.00 0.00 C ATOM 1142 CD2 LEU A 72 61.545 -10.201 -1.702 1.00 0.00 C ATOM 0 H LEU A 72 63.553 -8.454 -4.433 1.00 0.00 H new ATOM 0 HA LEU A 72 61.251 -7.886 -2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 72 64.234 -8.054 -2.195 1.00 0.00 H new ATOM 0 HB3 LEU A 72 62.970 -7.956 -0.985 1.00 0.00 H new ATOM 0 HG LEU A 72 63.174 -10.150 -3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 72 63.842 -11.590 -1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 72 64.997 -10.257 -1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 72 63.793 -10.173 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 72 61.423 -11.282 -1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 72 61.339 -9.875 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 72 60.850 -9.714 -2.386 1.00 0.00 H new ATOM 1154 N LEU A 73 63.516 -5.504 -3.208 1.00 0.00 N ATOM 1155 CA LEU A 73 63.769 -4.076 -3.025 1.00 0.00 C ATOM 1156 C LEU A 73 64.691 -3.580 -4.143 1.00 0.00 C ATOM 1157 O LEU A 73 65.556 -4.319 -4.611 1.00 0.00 O ATOM 1158 CB LEU A 73 64.432 -3.881 -1.640 1.00 0.00 C ATOM 1159 CG LEU A 73 64.223 -2.451 -1.071 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.313 -2.503 0.466 1.00 0.00 C ATOM 1161 CD2 LEU A 73 65.317 -1.499 -1.586 1.00 0.00 C ATOM 0 H LEU A 73 64.259 -6.005 -3.695 1.00 0.00 H new ATOM 0 HA LEU A 73 62.841 -3.505 -3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 73 64.023 -4.609 -0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 73 65.500 -4.083 -1.721 1.00 0.00 H new ATOM 0 HG LEU A 73 63.246 -2.088 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.167 -1.502 0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.541 -3.168 0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 73 65.294 -2.875 0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 73 65.154 -0.502 -1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.295 -1.865 -1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.278 -1.455 -2.674 1.00 0.00 H new ATOM 1173 N GLN A 74 64.516 -2.324 -4.564 1.00 0.00 N ATOM 1174 CA GLN A 74 65.365 -1.755 -5.622 1.00 0.00 C ATOM 1175 C GLN A 74 66.402 -0.812 -5.013 1.00 0.00 C ATOM 1176 O GLN A 74 66.063 0.076 -4.233 1.00 0.00 O ATOM 1177 CB GLN A 74 64.510 -0.990 -6.632 1.00 0.00 C ATOM 1178 CG GLN A 74 65.407 -0.455 -7.750 1.00 0.00 C ATOM 1179 CD GLN A 74 64.563 0.164 -8.859 1.00 0.00 C ATOM 1180 OE1 GLN A 74 63.363 -0.100 -8.951 1.00 0.00 O ATOM 1181 NE2 GLN A 74 65.123 0.980 -9.709 1.00 0.00 N ATOM 0 H GLN A 74 63.807 -1.688 -4.198 1.00 0.00 H new ATOM 0 HA GLN A 74 65.876 -2.571 -6.132 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.743 -1.645 -7.047 1.00 0.00 H new ATOM 0 HB3 GLN A 74 63.993 -0.167 -6.139 1.00 0.00 H new ATOM 0 HG2 GLN A 74 66.094 0.290 -7.349 1.00 0.00 H new ATOM 0 HG3 GLN A 74 66.015 -1.264 -8.155 1.00 0.00 H new ATOM 0 HE21 GLN A 74 66.117 1.196 -9.630 1.00 0.00 H new ATOM 0 HE22 GLN A 74 64.567 1.402 -10.453 1.00 0.00 H new ATOM 1190 N ILE A 75 67.676 -1.032 -5.361 1.00 0.00 N ATOM 1191 CA ILE A 75 68.774 -0.213 -4.830 1.00 0.00 C ATOM 1192 C ILE A 75 69.648 0.330 -5.955 1.00 0.00 C ATOM 1193 O ILE A 75 70.104 -0.414 -6.823 1.00 0.00 O ATOM 1194 CB ILE A 75 69.617 -1.065 -3.872 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.769 -1.444 -2.654 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.845 -0.291 -3.390 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.467 -2.555 -1.865 1.00 0.00 C ATOM 0 H ILE A 75 67.972 -1.766 -6.004 1.00 0.00 H new ATOM 0 HA ILE A 75 68.352 0.638 -4.296 1.00 0.00 H new ATOM 0 HB ILE A 75 69.946 -1.957 -4.405 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.619 -0.572 -2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.782 -1.778 -2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.426 -0.916 -2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.460 -0.015 -4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.525 0.610 -2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.861 -2.822 -0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.594 -3.430 -2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.444 -2.205 -1.530 1.00 0.00 H new ATOM 1209 N ASP A 76 69.879 1.638 -5.911 1.00 0.00 N ATOM 1210 CA ASP A 76 70.711 2.311 -6.912 1.00 0.00 C ATOM 1211 C ASP A 76 72.142 2.445 -6.400 1.00 0.00 C ATOM 1212 O ASP A 76 72.406 3.189 -5.455 1.00 0.00 O ATOM 1213 CB ASP A 76 70.155 3.706 -7.210 1.00 0.00 C ATOM 1214 CG ASP A 76 68.820 3.586 -7.937 1.00 0.00 C ATOM 1215 OD1 ASP A 76 68.508 2.493 -8.381 1.00 0.00 O ATOM 1216 OD2 ASP A 76 68.127 4.586 -8.036 1.00 0.00 O ATOM 0 H ASP A 76 69.503 2.257 -5.193 1.00 0.00 H new ATOM 0 HA ASP A 76 70.703 1.714 -7.824 1.00 0.00 H new ATOM 0 HB2 ASP A 76 70.025 4.262 -6.281 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.863 4.267 -7.821 1.00 0.00 H new ATOM 1221 N THR A 77 73.064 1.723 -7.031 1.00 0.00 N ATOM 1222 CA THR A 77 74.469 1.767 -6.638 1.00 0.00 C ATOM 1223 C THR A 77 75.191 2.905 -7.352 1.00 0.00 C ATOM 1224 O THR A 77 76.133 3.431 -6.782 1.00 0.00 O ATOM 1225 CB THR A 77 75.147 0.437 -6.978 1.00 0.00 C ATOM 1226 OG1 THR A 77 74.415 -0.630 -6.392 1.00 0.00 O ATOM 1227 CG2 THR A 77 76.579 0.444 -6.436 1.00 0.00 C ATOM 1228 OXT THR A 77 74.787 3.237 -8.454 1.00 0.00 O ATOM 0 H THR A 77 72.864 1.102 -7.815 1.00 0.00 H new ATOM 0 HA THR A 77 74.521 1.938 -5.563 1.00 0.00 H new ATOM 0 HB THR A 77 75.172 0.303 -8.059 1.00 0.00 H new ATOM 0 HG1 THR A 77 74.847 -1.482 -6.610 1.00 0.00 H new ATOM 0 HG21 THR A 77 77.064 -0.502 -6.677 1.00 0.00 H new ATOM 0 HG22 THR A 77 77.136 1.263 -6.891 1.00 0.00 H new ATOM 0 HG23 THR A 77 76.558 0.576 -5.354 1.00 0.00 H new TER 1236 THR A 77