USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 595 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 Set 1.1: A 13 TYR OH : rot 4:sc= -0.404 USER MOD Set 1.2: A 34 THR OG1 : rot 129:sc= 0.837 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -173:sc= -0.625 (180deg=-1.11) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -84:sc= -4.21! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -99:sc= -0.182 (180deg=-0.931) USER MOD Single : A 22 GLN : amide:sc= -10.8! C(o=-11!,f=-7.6!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.344 USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= -0.112 (180deg=-0.589) USER MOD Single : A 29 LYS NZ :NH3+ -156:sc= -0.0464 (180deg=-0.908) USER MOD Single : A 33 GLN : amide:sc= -0.493 X(o=-0.49,f=-0.13) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -1.28 USER MOD Single : A 45 THR OG1 : rot -136:sc= -0.383 USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= -0.891! (180deg=-1.48!) USER MOD Single : A 56 ASN : amide:sc= -1.09! K(o=-1.1!,f=-0.16) USER MOD Single : A 62 SER OG : rot 180:sc= -0.493 USER MOD Single : A 67 GLN : amide:sc= -3.7! K(o=-3.7!,f=-0.1) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -137:sc= -0.0334 (180deg=-1.72) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.835 K(o=-0.83,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -20.462 -7.070 1.550 1.00 0.00 N ATOM 2 CA MET A 0 -18.987 -7.240 1.672 1.00 0.00 C ATOM 3 C MET A 0 -18.280 -6.183 0.824 1.00 0.00 C ATOM 4 O MET A 0 -17.193 -5.743 1.143 1.00 0.00 O ATOM 5 CB MET A 0 -18.573 -8.632 1.179 1.00 0.00 C ATOM 6 CG MET A 0 -19.744 -9.612 1.300 1.00 0.00 C ATOM 7 SD MET A 0 -19.957 -10.088 3.031 1.00 0.00 S ATOM 8 CE MET A 0 -19.638 -11.856 2.816 1.00 0.00 C ATOM 0 H1 MET A 0 -20.941 -7.709 2.216 1.00 0.00 H new ATOM 0 H2 MET A 0 -20.717 -6.086 1.770 1.00 0.00 H new ATOM 0 H3 MET A 0 -20.758 -7.296 0.579 1.00 0.00 H new ATOM 0 HA MET A 0 -18.705 -7.129 2.719 1.00 0.00 H new ATOM 0 HB2 MET A 0 -18.245 -8.574 0.141 1.00 0.00 H new ATOM 0 HB3 MET A 0 -17.726 -8.994 1.762 1.00 0.00 H new ATOM 0 HG2 MET A 0 -20.657 -9.152 0.924 1.00 0.00 H new ATOM 0 HG3 MET A 0 -19.557 -10.495 0.689 1.00 0.00 H new ATOM 0 HE1 MET A 0 -19.718 -12.360 3.779 1.00 0.00 H new ATOM 0 HE2 MET A 0 -20.369 -12.276 2.125 1.00 0.00 H new ATOM 0 HE3 MET A 0 -18.635 -11.999 2.414 1.00 0.00 H new ATOM 18 N LYS A 1 -18.880 -5.779 -0.262 1.00 0.00 N ATOM 19 CA LYS A 1 -18.230 -4.760 -1.133 1.00 0.00 C ATOM 20 C LYS A 1 -19.195 -3.605 -1.405 1.00 0.00 C ATOM 21 O LYS A 1 -20.208 -3.766 -2.057 1.00 0.00 O ATOM 22 CB LYS A 1 -17.830 -5.409 -2.459 1.00 0.00 C ATOM 23 CG LYS A 1 -16.304 -5.461 -2.563 1.00 0.00 C ATOM 24 CD LYS A 1 -15.823 -4.389 -3.544 1.00 0.00 C ATOM 25 CE LYS A 1 -15.768 -4.975 -4.956 1.00 0.00 C ATOM 26 NZ LYS A 1 -16.270 -3.967 -5.932 1.00 0.00 N ATOM 0 H LYS A 1 -19.790 -6.110 -0.583 1.00 0.00 H new ATOM 0 HA LYS A 1 -17.345 -4.372 -0.628 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -18.244 -6.415 -2.523 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -18.243 -4.841 -3.293 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -15.856 -5.299 -1.582 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -15.985 -6.447 -2.900 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -16.496 -3.532 -3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -14.837 -4.028 -3.250 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -14.745 -5.259 -5.204 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -16.372 -5.881 -5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -16.233 -4.365 -6.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -17.252 -3.717 -5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -15.676 -3.115 -5.887 1.00 0.00 H new ATOM 40 N SER A 2 -18.880 -2.436 -0.921 1.00 0.00 N ATOM 41 CA SER A 2 -19.763 -1.253 -1.158 1.00 0.00 C ATOM 42 C SER A 2 -19.243 -0.093 -0.342 1.00 0.00 C ATOM 43 O SER A 2 -18.811 0.878 -0.912 1.00 0.00 O ATOM 44 CB SER A 2 -21.202 -1.546 -0.787 1.00 0.00 C ATOM 45 OG SER A 2 -21.269 -2.726 0.006 1.00 0.00 O ATOM 0 H SER A 2 -18.045 -2.245 -0.368 1.00 0.00 H new ATOM 0 HA SER A 2 -19.746 -1.009 -2.220 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.623 -0.704 -0.238 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.801 -1.670 -1.689 1.00 0.00 H new ATOM 0 HG SER A 2 -21.277 -3.513 -0.578 1.00 0.00 H new ATOM 51 N PRO A 3 -19.242 -0.255 0.963 1.00 0.00 N ATOM 52 CA PRO A 3 -18.685 0.742 1.859 1.00 0.00 C ATOM 53 C PRO A 3 -17.236 0.852 1.416 1.00 0.00 C ATOM 54 O PRO A 3 -16.404 0.157 1.943 1.00 0.00 O ATOM 55 CB PRO A 3 -18.779 0.124 3.261 1.00 0.00 C ATOM 56 CG PRO A 3 -19.421 -1.272 3.102 1.00 0.00 C ATOM 57 CD PRO A 3 -19.788 -1.434 1.622 1.00 0.00 C ATOM 0 HA PRO A 3 -19.173 1.717 1.855 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -17.791 0.044 3.713 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -19.380 0.752 3.919 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -18.727 -2.053 3.414 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -20.307 -1.362 3.731 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -19.363 -2.349 1.209 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -20.868 -1.495 1.488 1.00 0.00 H new ATOM 65 N GLU A 4 -16.979 1.649 0.390 1.00 0.00 N ATOM 66 CA GLU A 4 -15.626 1.780 -0.250 1.00 0.00 C ATOM 67 C GLU A 4 -14.603 1.361 0.733 1.00 0.00 C ATOM 68 O GLU A 4 -13.894 2.118 1.364 1.00 0.00 O ATOM 69 CB GLU A 4 -15.398 3.224 -0.684 1.00 0.00 C ATOM 70 CG GLU A 4 -15.793 3.377 -2.153 1.00 0.00 C ATOM 71 CD GLU A 4 -14.581 3.843 -2.962 1.00 0.00 C ATOM 72 OE1 GLU A 4 -13.516 3.280 -2.771 1.00 0.00 O ATOM 73 OE2 GLU A 4 -14.740 4.754 -3.757 1.00 0.00 O ATOM 0 H GLU A 4 -17.690 2.238 -0.044 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.561 1.147 -1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.988 3.900 -0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.352 3.497 -0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.160 2.428 -2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.606 4.097 -2.249 1.00 0.00 H new ATOM 80 N GLU A 5 -14.589 0.081 0.853 1.00 0.00 N ATOM 81 CA GLU A 5 -13.707 -0.575 1.774 1.00 0.00 C ATOM 82 C GLU A 5 -12.271 -0.384 1.291 1.00 0.00 C ATOM 83 O GLU A 5 -11.325 -0.747 1.960 1.00 0.00 O ATOM 84 CB GLU A 5 -14.078 -2.058 1.825 1.00 0.00 C ATOM 85 CG GLU A 5 -12.903 -2.860 2.362 1.00 0.00 C ATOM 86 CD GLU A 5 -13.418 -4.086 3.118 1.00 0.00 C ATOM 87 OE1 GLU A 5 -14.131 -3.901 4.091 1.00 0.00 O ATOM 88 OE2 GLU A 5 -13.092 -5.189 2.712 1.00 0.00 O ATOM 0 H GLU A 5 -15.187 -0.549 0.318 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.797 -0.156 2.776 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.951 -2.203 2.461 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.347 -2.410 0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -12.258 -3.172 1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.299 -2.240 3.024 1.00 0.00 H new ATOM 95 N LEU A 6 -12.098 0.213 0.135 1.00 0.00 N ATOM 96 CA LEU A 6 -10.722 0.450 -0.367 1.00 0.00 C ATOM 97 C LEU A 6 -10.243 1.690 0.323 1.00 0.00 C ATOM 98 O LEU A 6 -9.137 1.777 0.817 1.00 0.00 O ATOM 99 CB LEU A 6 -10.731 0.650 -1.884 1.00 0.00 C ATOM 100 CG LEU A 6 -11.778 -0.269 -2.514 1.00 0.00 C ATOM 101 CD1 LEU A 6 -11.591 -0.295 -4.031 1.00 0.00 C ATOM 102 CD2 LEU A 6 -11.615 -1.686 -1.959 1.00 0.00 C ATOM 0 H LEU A 6 -12.848 0.541 -0.473 1.00 0.00 H new ATOM 0 HA LEU A 6 -10.070 -0.399 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.954 1.690 -2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.746 0.432 -2.296 1.00 0.00 H new ATOM 0 HG LEU A 6 -12.774 0.104 -2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -12.338 -0.951 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -11.707 0.713 -4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -10.594 -0.666 -4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -12.362 -2.341 -2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -10.618 -2.057 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -11.750 -1.671 -0.877 1.00 0.00 H new ATOM 114 N LYS A 7 -11.110 2.636 0.400 1.00 0.00 N ATOM 115 CA LYS A 7 -10.790 3.874 1.100 1.00 0.00 C ATOM 116 C LYS A 7 -10.802 3.590 2.610 1.00 0.00 C ATOM 117 O LYS A 7 -10.253 4.331 3.402 1.00 0.00 O ATOM 118 CB LYS A 7 -11.872 4.851 0.678 1.00 0.00 C ATOM 119 CG LYS A 7 -12.411 5.626 1.876 1.00 0.00 C ATOM 120 CD LYS A 7 -13.474 4.741 2.538 1.00 0.00 C ATOM 121 CE LYS A 7 -14.702 4.667 1.634 1.00 0.00 C ATOM 122 NZ LYS A 7 -15.702 5.688 2.056 1.00 0.00 N ATOM 0 H LYS A 7 -12.046 2.598 -0.003 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.807 4.282 0.865 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.470 5.547 -0.058 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.686 4.310 0.195 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.610 5.858 2.578 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.842 6.576 1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.075 3.742 2.712 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.748 5.148 3.511 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.412 4.836 0.597 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.142 3.671 1.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.536 5.633 1.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.988 5.508 3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.281 6.636 1.986 1.00 0.00 H new ATOM 136 N GLY A 8 -11.438 2.517 3.001 1.00 0.00 N ATOM 137 CA GLY A 8 -11.512 2.163 4.449 1.00 0.00 C ATOM 138 C GLY A 8 -10.384 1.192 4.793 1.00 0.00 C ATOM 139 O GLY A 8 -10.613 0.069 5.199 1.00 0.00 O ATOM 0 H GLY A 8 -11.912 1.866 2.375 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.431 3.063 5.059 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.478 1.711 4.675 1.00 0.00 H new ATOM 143 N ILE A 9 -9.169 1.622 4.632 1.00 0.00 N ATOM 144 CA ILE A 9 -8.005 0.749 4.941 1.00 0.00 C ATOM 145 C ILE A 9 -6.744 1.559 4.702 1.00 0.00 C ATOM 146 O ILE A 9 -6.143 2.077 5.615 1.00 0.00 O ATOM 147 CB ILE A 9 -8.022 -0.495 4.032 1.00 0.00 C ATOM 148 CG1 ILE A 9 -6.613 -1.095 3.906 1.00 0.00 C ATOM 149 CG2 ILE A 9 -8.562 -0.161 2.638 1.00 0.00 C ATOM 150 CD1 ILE A 9 -6.621 -2.527 4.441 1.00 0.00 C ATOM 0 H ILE A 9 -8.928 2.554 4.295 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.045 0.410 5.976 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.685 -1.226 4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.294 -1.086 2.864 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.897 -0.491 4.464 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.561 -1.060 2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.580 0.219 2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.930 0.597 2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.622 -2.954 4.352 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.922 -2.522 5.489 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.325 -3.127 3.864 1.00 0.00 H new ATOM 162 N PHE A 10 -6.362 1.676 3.471 1.00 0.00 N ATOM 163 CA PHE A 10 -5.155 2.466 3.117 1.00 0.00 C ATOM 164 C PHE A 10 -5.106 3.722 3.975 1.00 0.00 C ATOM 165 O PHE A 10 -4.248 3.906 4.813 1.00 0.00 O ATOM 166 CB PHE A 10 -5.288 2.913 1.678 1.00 0.00 C ATOM 167 CG PHE A 10 -4.181 3.891 1.352 1.00 0.00 C ATOM 168 CD1 PHE A 10 -2.957 3.426 0.860 1.00 0.00 C ATOM 169 CD2 PHE A 10 -4.378 5.263 1.557 1.00 0.00 C ATOM 170 CE1 PHE A 10 -1.928 4.332 0.570 1.00 0.00 C ATOM 171 CE2 PHE A 10 -3.349 6.168 1.271 1.00 0.00 C ATOM 172 CZ PHE A 10 -2.125 5.703 0.777 1.00 0.00 C ATOM 0 H PHE A 10 -6.842 1.251 2.677 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.262 1.860 3.270 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.236 2.052 1.012 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.260 3.380 1.519 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.805 2.368 0.704 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.324 5.622 1.936 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.984 3.973 0.187 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.500 7.225 1.432 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.332 6.402 0.555 1.00 0.00 H new ATOM 182 N GLU A 11 -6.037 4.593 3.730 1.00 0.00 N ATOM 183 CA GLU A 11 -6.108 5.881 4.482 1.00 0.00 C ATOM 184 C GLU A 11 -5.999 5.623 5.988 1.00 0.00 C ATOM 185 O GLU A 11 -5.409 6.398 6.713 1.00 0.00 O ATOM 186 CB GLU A 11 -7.439 6.572 4.178 1.00 0.00 C ATOM 187 CG GLU A 11 -7.572 7.832 5.036 1.00 0.00 C ATOM 188 CD GLU A 11 -8.677 8.724 4.466 1.00 0.00 C ATOM 189 OE1 GLU A 11 -8.395 9.462 3.537 1.00 0.00 O ATOM 190 OE2 GLU A 11 -9.786 8.655 4.971 1.00 0.00 O ATOM 0 H GLU A 11 -6.767 4.469 3.029 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.280 6.519 4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.492 6.833 3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.267 5.893 4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.804 7.561 6.066 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.626 8.374 5.055 1.00 0.00 H new ATOM 197 N LYS A 12 -6.563 4.549 6.468 1.00 0.00 N ATOM 198 CA LYS A 12 -6.481 4.259 7.929 1.00 0.00 C ATOM 199 C LYS A 12 -5.015 4.016 8.300 1.00 0.00 C ATOM 200 O LYS A 12 -4.553 4.419 9.347 1.00 0.00 O ATOM 201 CB LYS A 12 -7.360 3.028 8.258 1.00 0.00 C ATOM 202 CG LYS A 12 -6.514 1.830 8.728 1.00 0.00 C ATOM 203 CD LYS A 12 -5.868 2.148 10.081 1.00 0.00 C ATOM 204 CE LYS A 12 -6.331 1.128 11.126 1.00 0.00 C ATOM 205 NZ LYS A 12 -7.322 1.763 12.040 1.00 0.00 N ATOM 0 H LYS A 12 -7.075 3.862 5.915 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.852 5.102 8.511 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.079 3.292 9.034 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.933 2.744 7.375 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.141 0.942 8.814 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.743 1.606 7.991 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.782 2.124 9.991 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.139 3.155 10.397 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.777 0.264 10.633 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.477 0.763 11.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.635 1.069 12.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.882 2.574 12.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.142 2.090 11.490 1.00 0.00 H new ATOM 219 N TYR A 13 -4.286 3.353 7.446 1.00 0.00 N ATOM 220 CA TYR A 13 -2.856 3.072 7.734 1.00 0.00 C ATOM 221 C TYR A 13 -2.039 4.355 7.621 1.00 0.00 C ATOM 222 O TYR A 13 -0.838 4.359 7.801 1.00 0.00 O ATOM 223 CB TYR A 13 -2.350 2.017 6.755 1.00 0.00 C ATOM 224 CG TYR A 13 -2.711 0.674 7.323 1.00 0.00 C ATOM 225 CD1 TYR A 13 -3.951 0.098 7.027 1.00 0.00 C ATOM 226 CD2 TYR A 13 -1.824 0.028 8.184 1.00 0.00 C ATOM 227 CE1 TYR A 13 -4.297 -1.133 7.591 1.00 0.00 C ATOM 228 CE2 TYR A 13 -2.169 -1.198 8.754 1.00 0.00 C ATOM 229 CZ TYR A 13 -3.407 -1.782 8.457 1.00 0.00 C ATOM 230 OH TYR A 13 -3.754 -2.992 9.021 1.00 0.00 O ATOM 0 H TYR A 13 -4.625 2.992 6.554 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.750 2.693 8.751 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.804 2.154 5.773 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.271 2.101 6.622 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.639 0.603 6.365 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.868 0.478 8.410 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.251 -1.584 7.359 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.483 -1.696 9.423 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.620 -3.283 8.665 1.00 0.00 H new ATOM 240 N ASP A 15 -2.692 5.452 7.363 1.00 0.00 N ATOM 241 CA ASP A 15 -1.997 6.747 7.280 1.00 0.00 C ATOM 242 C ASP A 15 -1.922 7.317 8.698 1.00 0.00 C ATOM 243 O ASP A 15 -2.200 8.478 8.929 1.00 0.00 O ATOM 244 CB ASP A 15 -2.822 7.676 6.389 1.00 0.00 C ATOM 245 CG ASP A 15 -1.888 8.541 5.539 1.00 0.00 C ATOM 246 OD1 ASP A 15 -1.277 9.440 6.095 1.00 0.00 O ATOM 247 OD2 ASP A 15 -1.803 8.294 4.348 1.00 0.00 O ATOM 0 H ASP A 15 -3.699 5.497 7.204 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.995 6.642 6.863 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.477 7.090 5.745 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.462 8.310 7.003 1.00 0.00 H new ATOM 252 N LYS A 16 -1.569 6.492 9.654 1.00 0.00 N ATOM 253 CA LYS A 16 -1.493 6.955 11.073 1.00 0.00 C ATOM 254 C LYS A 16 -0.175 7.709 11.320 1.00 0.00 C ATOM 255 O LYS A 16 0.426 7.592 12.370 1.00 0.00 O ATOM 256 CB LYS A 16 -1.572 5.742 12.021 1.00 0.00 C ATOM 257 CG LYS A 16 -2.223 4.544 11.308 1.00 0.00 C ATOM 258 CD LYS A 16 -2.775 3.562 12.345 1.00 0.00 C ATOM 259 CE LYS A 16 -4.031 4.151 12.990 1.00 0.00 C ATOM 260 NZ LYS A 16 -3.723 4.574 14.386 1.00 0.00 N ATOM 0 H LYS A 16 -1.329 5.511 9.510 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.329 7.627 11.266 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.572 5.472 12.360 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.149 6.003 12.908 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.026 4.889 10.657 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.491 4.044 10.674 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.010 2.610 11.870 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.022 3.361 13.107 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.384 5.004 12.410 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.832 3.412 12.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.044 3.840 15.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.697 4.710 14.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.213 5.467 14.594 1.00 0.00 H new ATOM 274 N GLU A 17 0.273 8.487 10.370 1.00 0.00 N ATOM 275 CA GLU A 17 1.541 9.250 10.558 1.00 0.00 C ATOM 276 C GLU A 17 1.306 10.727 10.215 1.00 0.00 C ATOM 277 O GLU A 17 1.919 11.609 10.781 1.00 0.00 O ATOM 278 CB GLU A 17 2.623 8.679 9.638 1.00 0.00 C ATOM 279 CG GLU A 17 3.925 9.457 9.835 1.00 0.00 C ATOM 280 CD GLU A 17 5.117 8.525 9.619 1.00 0.00 C ATOM 281 OE1 GLU A 17 4.969 7.564 8.881 1.00 0.00 O ATOM 282 OE2 GLU A 17 6.160 8.787 10.196 1.00 0.00 O ATOM 0 H GLU A 17 -0.186 8.627 9.470 1.00 0.00 H new ATOM 0 HA GLU A 17 1.864 9.165 11.595 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.781 7.623 9.857 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.302 8.744 8.598 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.971 10.291 9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.959 9.881 10.839 1.00 0.00 H new ATOM 289 N GLY A 18 0.418 11.002 9.294 1.00 0.00 N ATOM 290 CA GLY A 18 0.138 12.412 8.917 1.00 0.00 C ATOM 291 C GLY A 18 0.940 12.788 7.668 1.00 0.00 C ATOM 292 O GLY A 18 1.555 13.833 7.609 1.00 0.00 O ATOM 0 H GLY A 18 -0.126 10.304 8.787 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.928 12.542 8.728 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.399 13.076 9.741 1.00 0.00 H new ATOM 296 N ASP A 19 0.946 11.942 6.670 1.00 0.00 N ATOM 297 CA ASP A 19 1.721 12.260 5.436 1.00 0.00 C ATOM 298 C ASP A 19 0.796 12.303 4.211 1.00 0.00 C ATOM 299 O ASP A 19 1.156 12.825 3.175 1.00 0.00 O ATOM 300 CB ASP A 19 2.787 11.184 5.224 1.00 0.00 C ATOM 301 CG ASP A 19 2.163 9.804 5.435 1.00 0.00 C ATOM 302 OD1 ASP A 19 0.968 9.679 5.230 1.00 0.00 O ATOM 303 OD2 ASP A 19 2.891 8.896 5.800 1.00 0.00 O ATOM 0 H ASP A 19 0.451 11.050 6.657 1.00 0.00 H new ATOM 0 HA ASP A 19 2.188 13.237 5.556 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.200 11.259 4.218 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.613 11.332 5.920 1.00 0.00 H new ATOM 308 N GLY A 20 -0.384 11.751 4.309 1.00 0.00 N ATOM 309 CA GLY A 20 -1.306 11.758 3.140 1.00 0.00 C ATOM 310 C GLY A 20 -1.111 10.464 2.352 1.00 0.00 C ATOM 311 O GLY A 20 -2.042 9.910 1.802 1.00 0.00 O ATOM 0 H GLY A 20 -0.747 11.297 5.147 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.340 11.844 3.475 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.104 12.621 2.505 1.00 0.00 H new ATOM 315 N GLN A 22 0.099 9.981 2.297 1.00 0.00 N ATOM 316 CA GLN A 22 0.374 8.733 1.558 1.00 0.00 C ATOM 317 C GLN A 22 1.134 7.763 2.463 1.00 0.00 C ATOM 318 O GLN A 22 1.315 8.013 3.638 1.00 0.00 O ATOM 319 CB GLN A 22 1.190 9.069 0.301 1.00 0.00 C ATOM 320 CG GLN A 22 2.353 9.987 0.683 1.00 0.00 C ATOM 321 CD GLN A 22 3.426 9.176 1.415 1.00 0.00 C ATOM 322 OE1 GLN A 22 3.966 9.621 2.408 1.00 0.00 O ATOM 323 NE2 GLN A 22 3.760 7.997 0.965 1.00 0.00 N ATOM 0 H GLN A 22 0.913 10.408 2.740 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.558 8.257 1.254 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.568 8.155 -0.156 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.555 9.556 -0.439 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.776 10.446 -0.210 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.997 10.797 1.320 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.307 7.622 0.131 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.474 7.450 1.447 1.00 0.00 H new ATOM 332 N LEU A 23 1.534 6.634 1.945 1.00 0.00 N ATOM 333 CA LEU A 23 2.219 5.637 2.798 1.00 0.00 C ATOM 334 C LEU A 23 3.716 5.585 2.581 1.00 0.00 C ATOM 335 O LEU A 23 4.181 5.218 1.522 1.00 0.00 O ATOM 336 CB LEU A 23 1.754 4.241 2.415 1.00 0.00 C ATOM 337 CG LEU A 23 0.311 3.982 2.794 1.00 0.00 C ATOM 338 CD1 LEU A 23 -0.002 2.553 2.351 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.135 4.074 4.315 1.00 0.00 C ATOM 0 H LEU A 23 1.414 6.364 0.969 1.00 0.00 H new ATOM 0 HA LEU A 23 1.987 5.931 3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.873 4.105 1.340 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.392 3.503 2.902 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.347 4.713 2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.035 2.313 2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.140 2.467 1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.666 1.859 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.907 3.886 4.573 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.769 3.332 4.800 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.418 5.070 4.654 1.00 0.00 H new ATOM 351 N SER A 24 4.471 5.770 3.611 1.00 0.00 N ATOM 352 CA SER A 24 5.910 5.519 3.456 1.00 0.00 C ATOM 353 C SER A 24 5.925 3.999 3.553 1.00 0.00 C ATOM 354 O SER A 24 4.968 3.438 4.039 1.00 0.00 O ATOM 355 CB SER A 24 6.704 6.150 4.603 1.00 0.00 C ATOM 356 OG SER A 24 6.756 5.241 5.694 1.00 0.00 O ATOM 0 H SER A 24 4.162 6.077 4.533 1.00 0.00 H new ATOM 0 HA SER A 24 6.355 5.929 2.549 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.713 6.395 4.271 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.235 7.084 4.915 1.00 0.00 H new ATOM 0 HG SER A 24 7.265 5.641 6.429 1.00 0.00 H new ATOM 362 N LYS A 25 6.899 3.286 3.098 1.00 0.00 N ATOM 363 CA LYS A 25 6.741 1.810 3.234 1.00 0.00 C ATOM 364 C LYS A 25 6.489 1.435 4.696 1.00 0.00 C ATOM 365 O LYS A 25 6.036 0.348 4.992 1.00 0.00 O ATOM 366 CB LYS A 25 7.955 1.056 2.710 1.00 0.00 C ATOM 367 CG LYS A 25 7.601 0.427 1.373 1.00 0.00 C ATOM 368 CD LYS A 25 7.671 -1.095 1.502 1.00 0.00 C ATOM 369 CE LYS A 25 9.094 -1.513 1.883 1.00 0.00 C ATOM 370 NZ LYS A 25 10.045 -1.071 0.823 1.00 0.00 N ATOM 0 H LYS A 25 7.756 3.625 2.660 1.00 0.00 H new ATOM 0 HA LYS A 25 5.882 1.520 2.629 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.800 1.735 2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.257 0.287 3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.601 0.733 1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.290 0.771 0.601 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.965 -1.439 2.258 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.383 -1.564 0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.370 -1.071 2.841 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.146 -2.595 2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.964 -1.537 0.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.667 -1.327 -0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.168 -0.040 0.875 1.00 0.00 H new ATOM 384 N GLU A 26 6.764 2.318 5.614 1.00 0.00 N ATOM 385 CA GLU A 26 6.519 1.989 7.045 1.00 0.00 C ATOM 386 C GLU A 26 5.030 1.680 7.241 1.00 0.00 C ATOM 387 O GLU A 26 4.663 0.825 8.015 1.00 0.00 O ATOM 388 CB GLU A 26 6.920 3.176 7.921 1.00 0.00 C ATOM 389 CG GLU A 26 7.199 2.685 9.342 1.00 0.00 C ATOM 390 CD GLU A 26 7.565 3.874 10.234 1.00 0.00 C ATOM 391 OE1 GLU A 26 7.107 4.967 9.948 1.00 0.00 O ATOM 392 OE2 GLU A 26 8.298 3.669 11.188 1.00 0.00 O ATOM 0 H GLU A 26 7.145 3.247 5.437 1.00 0.00 H new ATOM 0 HA GLU A 26 7.113 1.120 7.329 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.806 3.662 7.512 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.124 3.920 7.931 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.322 2.175 9.740 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.013 1.960 9.334 1.00 0.00 H new ATOM 399 N GLU A 27 4.174 2.384 6.549 1.00 0.00 N ATOM 400 CA GLU A 27 2.706 2.153 6.686 1.00 0.00 C ATOM 401 C GLU A 27 2.207 1.143 5.638 1.00 0.00 C ATOM 402 O GLU A 27 1.185 0.512 5.820 1.00 0.00 O ATOM 403 CB GLU A 27 1.979 3.485 6.493 1.00 0.00 C ATOM 404 CG GLU A 27 2.471 4.487 7.538 1.00 0.00 C ATOM 405 CD GLU A 27 1.926 5.877 7.210 1.00 0.00 C ATOM 406 OE1 GLU A 27 2.249 6.383 6.147 1.00 0.00 O ATOM 407 OE2 GLU A 27 1.195 6.413 8.026 1.00 0.00 O ATOM 0 H GLU A 27 4.432 3.117 5.888 1.00 0.00 H new ATOM 0 HA GLU A 27 2.503 1.746 7.677 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.162 3.870 5.490 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.903 3.342 6.589 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.144 4.182 8.532 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.561 4.507 7.553 1.00 0.00 H new ATOM 414 N LEU A 28 2.899 0.993 4.537 1.00 0.00 N ATOM 415 CA LEU A 28 2.432 0.037 3.488 1.00 0.00 C ATOM 416 C LEU A 28 2.846 -1.404 3.828 1.00 0.00 C ATOM 417 O LEU A 28 2.004 -2.269 3.968 1.00 0.00 O ATOM 418 CB LEU A 28 3.023 0.452 2.143 1.00 0.00 C ATOM 419 CG LEU A 28 2.006 0.186 1.029 1.00 0.00 C ATOM 420 CD1 LEU A 28 2.693 0.302 -0.334 1.00 0.00 C ATOM 421 CD2 LEU A 28 1.425 -1.220 1.191 1.00 0.00 C ATOM 0 H LEU A 28 3.763 1.489 4.320 1.00 0.00 H new ATOM 0 HA LEU A 28 1.343 0.066 3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.288 1.509 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.941 -0.104 1.951 1.00 0.00 H new ATOM 0 HG LEU A 28 1.203 0.920 1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.967 0.112 -1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.103 1.305 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.499 -0.429 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.701 -1.408 0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.228 -1.955 1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.931 -1.300 2.159 1.00 0.00 H new ATOM 433 N LYS A 29 4.125 -1.681 3.951 1.00 0.00 N ATOM 434 CA LYS A 29 4.553 -3.074 4.271 1.00 0.00 C ATOM 435 C LYS A 29 3.633 -3.647 5.348 1.00 0.00 C ATOM 436 O LYS A 29 3.415 -4.840 5.426 1.00 0.00 O ATOM 437 CB LYS A 29 5.995 -3.070 4.782 1.00 0.00 C ATOM 438 CG LYS A 29 6.400 -4.491 5.181 1.00 0.00 C ATOM 439 CD LYS A 29 7.923 -4.578 5.284 1.00 0.00 C ATOM 440 CE LYS A 29 8.363 -6.040 5.171 1.00 0.00 C ATOM 441 NZ LYS A 29 7.386 -6.908 5.887 1.00 0.00 N ATOM 0 H LYS A 29 4.882 -1.006 3.844 1.00 0.00 H new ATOM 0 HA LYS A 29 4.495 -3.687 3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.665 -2.693 4.009 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.087 -2.401 5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.945 -4.756 6.135 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.033 -5.205 4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.385 -3.987 4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.258 -4.159 6.233 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.426 -6.332 4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.358 -6.166 5.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.850 -7.795 6.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.040 -6.415 6.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.585 -7.120 5.259 1.00 0.00 H new ATOM 455 N LEU A 30 3.080 -2.799 6.165 1.00 0.00 N ATOM 456 CA LEU A 30 2.156 -3.278 7.228 1.00 0.00 C ATOM 457 C LEU A 30 0.770 -3.470 6.618 1.00 0.00 C ATOM 458 O LEU A 30 0.123 -4.479 6.818 1.00 0.00 O ATOM 459 CB LEU A 30 2.081 -2.237 8.348 1.00 0.00 C ATOM 460 CG LEU A 30 3.410 -1.488 8.452 1.00 0.00 C ATOM 461 CD1 LEU A 30 3.390 -0.598 9.697 1.00 0.00 C ATOM 462 CD2 LEU A 30 4.555 -2.495 8.568 1.00 0.00 C ATOM 0 H LEU A 30 3.228 -1.790 6.143 1.00 0.00 H new ATOM 0 HA LEU A 30 2.517 -4.220 7.640 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.272 -1.534 8.149 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.854 -2.725 9.296 1.00 0.00 H new ATOM 0 HG LEU A 30 3.555 -0.874 7.563 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.336 -0.062 9.776 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.572 0.118 9.619 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.248 -1.216 10.584 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.503 -1.962 8.642 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.412 -3.107 9.459 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.567 -3.135 7.686 1.00 0.00 H new ATOM 474 N LEU A 31 0.315 -2.507 5.864 1.00 0.00 N ATOM 475 CA LEU A 31 -1.023 -2.624 5.223 1.00 0.00 C ATOM 476 C LEU A 31 -1.133 -3.998 4.566 1.00 0.00 C ATOM 477 O LEU A 31 -2.201 -4.572 4.473 1.00 0.00 O ATOM 478 CB LEU A 31 -1.164 -1.529 4.159 1.00 0.00 C ATOM 479 CG LEU A 31 -2.399 -1.791 3.290 1.00 0.00 C ATOM 480 CD1 LEU A 31 -3.646 -1.282 4.008 1.00 0.00 C ATOM 481 CD2 LEU A 31 -2.248 -1.050 1.959 1.00 0.00 C ATOM 0 H LEU A 31 0.816 -1.641 5.664 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.811 -2.509 5.967 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.248 -0.554 4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.271 -1.501 3.535 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.494 -2.862 3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.524 -1.469 3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.756 -1.802 4.960 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.550 -0.211 4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.125 -1.234 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.155 0.020 2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.357 -1.407 1.443 1.00 0.00 H new ATOM 493 N LEU A 32 -0.035 -4.526 4.102 1.00 0.00 N ATOM 494 CA LEU A 32 -0.050 -5.842 3.446 1.00 0.00 C ATOM 495 C LEU A 32 -0.543 -6.918 4.419 1.00 0.00 C ATOM 496 O LEU A 32 -1.675 -7.356 4.362 1.00 0.00 O ATOM 497 CB LEU A 32 1.390 -6.122 3.027 1.00 0.00 C ATOM 498 CG LEU A 32 1.510 -7.435 2.268 1.00 0.00 C ATOM 499 CD1 LEU A 32 1.244 -8.646 3.166 1.00 0.00 C ATOM 500 CD2 LEU A 32 0.543 -7.440 1.088 1.00 0.00 C ATOM 0 H LEU A 32 0.883 -4.085 4.156 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.722 -5.852 2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.752 -5.306 2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.027 -6.153 3.911 1.00 0.00 H new ATOM 0 HG LEU A 32 2.535 -7.515 1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.341 -9.561 2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.966 -8.659 3.982 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.236 -8.582 3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.633 -8.382 0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.478 -7.327 1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.782 -6.614 0.418 1.00 0.00 H new ATOM 512 N GLN A 33 0.319 -7.366 5.283 1.00 0.00 N ATOM 513 CA GLN A 33 -0.048 -8.445 6.246 1.00 0.00 C ATOM 514 C GLN A 33 -1.470 -8.248 6.771 1.00 0.00 C ATOM 515 O GLN A 33 -2.325 -9.094 6.599 1.00 0.00 O ATOM 516 CB GLN A 33 0.930 -8.428 7.423 1.00 0.00 C ATOM 517 CG GLN A 33 2.030 -9.467 7.192 1.00 0.00 C ATOM 518 CD GLN A 33 2.555 -9.965 8.541 1.00 0.00 C ATOM 519 OE1 GLN A 33 3.749 -10.020 8.758 1.00 0.00 O ATOM 520 NE2 GLN A 33 1.707 -10.332 9.462 1.00 0.00 N ATOM 0 H GLN A 33 1.278 -7.027 5.367 1.00 0.00 H new ATOM 0 HA GLN A 33 0.002 -9.403 5.728 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.369 -7.436 7.529 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.401 -8.644 8.351 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.639 -10.303 6.611 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.843 -9.029 6.613 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.704 -10.286 9.280 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.047 -10.665 10.364 1.00 0.00 H new ATOM 529 N THR A 34 -1.725 -7.159 7.436 1.00 0.00 N ATOM 530 CA THR A 34 -3.086 -6.936 7.997 1.00 0.00 C ATOM 531 C THR A 34 -4.070 -6.511 6.902 1.00 0.00 C ATOM 532 O THR A 34 -3.904 -5.492 6.263 1.00 0.00 O ATOM 533 CB THR A 34 -3.019 -5.841 9.065 1.00 0.00 C ATOM 534 OG1 THR A 34 -1.884 -5.019 8.826 1.00 0.00 O ATOM 535 CG2 THR A 34 -2.909 -6.482 10.449 1.00 0.00 C ATOM 0 H THR A 34 -1.052 -6.414 7.616 1.00 0.00 H new ATOM 0 HA THR A 34 -3.436 -7.871 8.434 1.00 0.00 H new ATOM 0 HB THR A 34 -3.923 -5.233 9.022 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.158 -4.078 8.815 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.861 -5.702 11.209 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.781 -7.111 10.629 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.006 -7.091 10.497 1.00 0.00 H new ATOM 543 N GLU A 35 -5.113 -7.279 6.713 1.00 0.00 N ATOM 544 CA GLU A 35 -6.150 -6.928 5.697 1.00 0.00 C ATOM 545 C GLU A 35 -5.691 -7.263 4.274 1.00 0.00 C ATOM 546 O GLU A 35 -6.458 -7.153 3.339 1.00 0.00 O ATOM 547 CB GLU A 35 -6.469 -5.433 5.787 1.00 0.00 C ATOM 548 CG GLU A 35 -6.645 -5.035 7.254 1.00 0.00 C ATOM 549 CD GLU A 35 -7.605 -6.012 7.935 1.00 0.00 C ATOM 550 OE1 GLU A 35 -7.255 -7.176 8.046 1.00 0.00 O ATOM 551 OE2 GLU A 35 -8.673 -5.580 8.334 1.00 0.00 O ATOM 0 H GLU A 35 -5.292 -8.143 7.225 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.040 -7.520 5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.665 -4.851 5.335 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.377 -5.210 5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.681 -5.042 7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.034 -4.019 7.322 1.00 0.00 H new ATOM 558 N PHE A 36 -4.462 -7.659 4.075 1.00 0.00 N ATOM 559 CA PHE A 36 -4.026 -7.970 2.687 1.00 0.00 C ATOM 560 C PHE A 36 -2.829 -8.925 2.687 1.00 0.00 C ATOM 561 O PHE A 36 -1.735 -8.535 2.342 1.00 0.00 O ATOM 562 CB PHE A 36 -3.617 -6.674 1.994 1.00 0.00 C ATOM 563 CG PHE A 36 -4.845 -5.869 1.641 1.00 0.00 C ATOM 564 CD1 PHE A 36 -5.885 -6.455 0.909 1.00 0.00 C ATOM 565 CD2 PHE A 36 -4.941 -4.531 2.043 1.00 0.00 C ATOM 566 CE1 PHE A 36 -7.020 -5.703 0.581 1.00 0.00 C ATOM 567 CE2 PHE A 36 -6.076 -3.780 1.715 1.00 0.00 C ATOM 568 CZ PHE A 36 -7.115 -4.367 0.983 1.00 0.00 C ATOM 0 H PHE A 36 -3.754 -7.778 4.800 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.855 -8.446 2.163 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.966 -6.093 2.647 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.047 -6.898 1.092 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.812 -7.487 0.597 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.139 -4.078 2.607 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.822 -6.155 0.017 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.150 -2.749 2.026 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.990 -3.788 0.729 1.00 0.00 H new ATOM 578 N PRO A 37 -3.068 -10.153 3.052 1.00 0.00 N ATOM 579 CA PRO A 37 -2.011 -11.183 3.073 1.00 0.00 C ATOM 580 C PRO A 37 -1.690 -11.636 1.647 1.00 0.00 C ATOM 581 O PRO A 37 -0.585 -11.504 1.159 1.00 0.00 O ATOM 582 CB PRO A 37 -2.653 -12.354 3.814 1.00 0.00 C ATOM 583 CG PRO A 37 -4.178 -12.140 3.710 1.00 0.00 C ATOM 584 CD PRO A 37 -4.396 -10.630 3.483 1.00 0.00 C ATOM 0 HA PRO A 37 -1.091 -10.821 3.531 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.361 -13.305 3.368 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.333 -12.379 4.856 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.595 -12.720 2.887 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.679 -12.471 4.620 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.156 -10.443 2.724 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.726 -10.130 4.394 1.00 0.00 H new ATOM 592 N SER A 38 -2.668 -12.214 1.006 1.00 0.00 N ATOM 593 CA SER A 38 -2.498 -12.751 -0.361 1.00 0.00 C ATOM 594 C SER A 38 -1.631 -11.836 -1.241 1.00 0.00 C ATOM 595 O SER A 38 -0.978 -12.296 -2.157 1.00 0.00 O ATOM 596 CB SER A 38 -3.874 -12.910 -1.008 1.00 0.00 C ATOM 597 OG SER A 38 -4.525 -14.045 -0.453 1.00 0.00 O ATOM 0 H SER A 38 -3.604 -12.337 1.391 1.00 0.00 H new ATOM 0 HA SER A 38 -1.990 -13.712 -0.281 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.473 -12.015 -0.841 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.770 -13.027 -2.087 1.00 0.00 H new ATOM 0 HG SER A 38 -5.408 -14.149 -0.864 1.00 0.00 H new ATOM 603 N LEU A 39 -1.625 -10.551 -0.998 1.00 0.00 N ATOM 604 CA LEU A 39 -0.805 -9.644 -1.859 1.00 0.00 C ATOM 605 C LEU A 39 0.621 -10.184 -1.959 1.00 0.00 C ATOM 606 O LEU A 39 1.130 -10.426 -3.035 1.00 0.00 O ATOM 607 CB LEU A 39 -0.770 -8.246 -1.246 1.00 0.00 C ATOM 608 CG LEU A 39 -1.541 -7.265 -2.126 1.00 0.00 C ATOM 609 CD1 LEU A 39 -1.817 -5.989 -1.327 1.00 0.00 C ATOM 610 CD2 LEU A 39 -0.705 -6.921 -3.361 1.00 0.00 C ATOM 0 H LEU A 39 -2.146 -10.093 -0.250 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.250 -9.596 -2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.204 -8.268 -0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.263 -7.914 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.483 -7.715 -2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.368 -5.283 -1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.408 -6.233 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.872 -5.541 -1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.255 -6.221 -3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.235 -6.467 -3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.499 -7.830 -3.926 1.00 0.00 H new ATOM 622 N LEU A 40 1.268 -10.374 -0.845 1.00 0.00 N ATOM 623 CA LEU A 40 2.664 -10.899 -0.874 1.00 0.00 C ATOM 624 C LEU A 40 2.884 -11.833 0.319 1.00 0.00 C ATOM 625 O LEU A 40 3.867 -11.735 1.027 1.00 0.00 O ATOM 626 CB LEU A 40 3.650 -9.740 -0.812 1.00 0.00 C ATOM 627 CG LEU A 40 3.211 -8.785 0.275 1.00 0.00 C ATOM 628 CD1 LEU A 40 4.276 -8.751 1.366 1.00 0.00 C ATOM 629 CD2 LEU A 40 3.018 -7.384 -0.317 1.00 0.00 C ATOM 0 H LEU A 40 0.893 -10.189 0.085 1.00 0.00 H new ATOM 0 HA LEU A 40 2.823 -11.453 -1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.655 -10.110 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.690 -9.226 -1.773 1.00 0.00 H new ATOM 0 HG LEU A 40 2.265 -9.119 0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.967 -8.064 2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.401 -9.750 1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.222 -8.414 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.702 -6.698 0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.959 -7.037 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.256 -7.420 -1.096 1.00 0.00 H new ATOM 641 N LYS A 41 1.970 -12.738 0.546 1.00 0.00 N ATOM 642 CA LYS A 41 2.116 -13.681 1.691 1.00 0.00 C ATOM 643 C LYS A 41 2.817 -14.955 1.214 1.00 0.00 C ATOM 644 O LYS A 41 2.322 -16.050 1.390 1.00 0.00 O ATOM 645 CB LYS A 41 0.730 -14.034 2.238 1.00 0.00 C ATOM 646 CG LYS A 41 0.876 -14.886 3.500 1.00 0.00 C ATOM 647 CD LYS A 41 -0.477 -14.978 4.211 1.00 0.00 C ATOM 648 CE LYS A 41 -0.312 -15.729 5.535 1.00 0.00 C ATOM 649 NZ LYS A 41 -1.139 -15.067 6.586 1.00 0.00 N ATOM 0 H LYS A 41 1.127 -12.865 -0.014 1.00 0.00 H new ATOM 0 HA LYS A 41 2.709 -13.213 2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.175 -13.124 2.464 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.159 -14.577 1.485 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.231 -15.883 3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.619 -14.446 4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.871 -13.979 4.395 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.198 -15.493 3.577 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.618 -16.768 5.417 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.736 -15.737 5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.028 -15.576 7.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.827 -14.082 6.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.139 -15.081 6.301 1.00 0.00 H new ATOM 663 N GLY A 42 3.967 -14.823 0.612 1.00 0.00 N ATOM 664 CA GLY A 42 4.693 -16.031 0.125 1.00 0.00 C ATOM 665 C GLY A 42 6.186 -15.721 0.001 1.00 0.00 C ATOM 666 O GLY A 42 7.009 -16.319 0.664 1.00 0.00 O ATOM 0 H GLY A 42 4.435 -13.934 0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.540 -16.861 0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.295 -16.341 -0.841 1.00 0.00 H new ATOM 670 N MET A 43 6.542 -14.793 -0.844 1.00 0.00 N ATOM 671 CA MET A 43 7.984 -14.452 -1.006 1.00 0.00 C ATOM 672 C MET A 43 8.147 -13.408 -2.115 1.00 0.00 C ATOM 673 O MET A 43 8.708 -13.683 -3.158 1.00 0.00 O ATOM 674 CB MET A 43 8.765 -15.715 -1.380 1.00 0.00 C ATOM 675 CG MET A 43 10.128 -15.694 -0.688 1.00 0.00 C ATOM 676 SD MET A 43 11.107 -14.309 -1.321 1.00 0.00 S ATOM 677 CE MET A 43 11.915 -13.875 0.238 1.00 0.00 C ATOM 0 H MET A 43 5.899 -14.257 -1.428 1.00 0.00 H new ATOM 0 HA MET A 43 8.366 -14.047 -0.069 1.00 0.00 H new ATOM 0 HB2 MET A 43 8.207 -16.602 -1.081 1.00 0.00 H new ATOM 0 HB3 MET A 43 8.895 -15.769 -2.461 1.00 0.00 H new ATOM 0 HG2 MET A 43 9.999 -15.599 0.390 1.00 0.00 H new ATOM 0 HG3 MET A 43 10.652 -16.634 -0.864 1.00 0.00 H new ATOM 0 HE1 MET A 43 12.580 -13.026 0.079 1.00 0.00 H new ATOM 0 HE2 MET A 43 11.160 -13.610 0.978 1.00 0.00 H new ATOM 0 HE3 MET A 43 12.493 -14.726 0.598 1.00 0.00 H new ATOM 687 N SER A 44 7.670 -12.208 -1.904 1.00 0.00 N ATOM 688 CA SER A 44 7.807 -11.161 -2.943 1.00 0.00 C ATOM 689 C SER A 44 7.389 -9.824 -2.338 1.00 0.00 C ATOM 690 O SER A 44 6.393 -9.248 -2.722 1.00 0.00 O ATOM 691 CB SER A 44 6.901 -11.492 -4.130 1.00 0.00 C ATOM 692 OG SER A 44 7.390 -10.834 -5.291 1.00 0.00 O ATOM 0 H SER A 44 7.191 -11.914 -1.053 1.00 0.00 H new ATOM 0 HA SER A 44 8.839 -11.110 -3.289 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.874 -12.569 -4.293 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.879 -11.176 -3.922 1.00 0.00 H new ATOM 0 HG SER A 44 6.813 -11.045 -6.054 1.00 0.00 H new ATOM 698 N THR A 45 8.136 -9.329 -1.387 1.00 0.00 N ATOM 699 CA THR A 45 7.772 -8.030 -0.762 1.00 0.00 C ATOM 700 C THR A 45 8.943 -7.068 -0.853 1.00 0.00 C ATOM 701 O THR A 45 9.474 -6.853 -1.920 1.00 0.00 O ATOM 702 CB THR A 45 7.350 -8.240 0.683 1.00 0.00 C ATOM 703 OG1 THR A 45 6.983 -6.996 1.264 1.00 0.00 O ATOM 704 CG2 THR A 45 8.495 -8.875 1.471 1.00 0.00 C ATOM 0 H THR A 45 8.980 -9.769 -1.019 1.00 0.00 H new ATOM 0 HA THR A 45 6.928 -7.598 -1.300 1.00 0.00 H new ATOM 0 HB THR A 45 6.490 -8.909 0.712 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.369 -6.928 2.162 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.186 -9.023 2.506 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.752 -9.837 1.028 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.365 -8.218 1.442 1.00 0.00 H new ATOM 712 N LEU A 46 9.353 -6.457 0.226 1.00 0.00 N ATOM 713 CA LEU A 46 10.467 -5.483 0.101 1.00 0.00 C ATOM 714 C LEU A 46 10.110 -4.558 -1.073 1.00 0.00 C ATOM 715 O LEU A 46 9.299 -3.664 -0.940 1.00 0.00 O ATOM 716 CB LEU A 46 11.779 -6.224 -0.173 1.00 0.00 C ATOM 717 CG LEU A 46 12.907 -5.211 -0.379 1.00 0.00 C ATOM 718 CD1 LEU A 46 13.764 -5.136 0.887 1.00 0.00 C ATOM 719 CD2 LEU A 46 13.779 -5.656 -1.554 1.00 0.00 C ATOM 0 H LEU A 46 8.975 -6.587 1.164 1.00 0.00 H new ATOM 0 HA LEU A 46 10.601 -4.909 1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.017 -6.884 0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.675 -6.853 -1.057 1.00 0.00 H new ATOM 0 HG LEU A 46 12.481 -4.230 -0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 46 14.568 -4.414 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 46 13.145 -4.823 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.191 -6.117 1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 46 14.584 -4.936 -1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 46 14.204 -6.637 -1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.171 -5.713 -2.457 1.00 0.00 H new ATOM 731 N ASP A 47 10.644 -4.812 -2.239 1.00 0.00 N ATOM 732 CA ASP A 47 10.262 -4.004 -3.422 1.00 0.00 C ATOM 733 C ASP A 47 9.057 -4.662 -4.075 1.00 0.00 C ATOM 734 O ASP A 47 9.114 -5.095 -5.207 1.00 0.00 O ATOM 735 CB ASP A 47 11.378 -3.969 -4.431 1.00 0.00 C ATOM 736 CG ASP A 47 12.134 -2.642 -4.331 1.00 0.00 C ATOM 737 OD1 ASP A 47 12.345 -2.186 -3.220 1.00 0.00 O ATOM 738 OD2 ASP A 47 12.487 -2.104 -5.367 1.00 0.00 O ATOM 0 H ASP A 47 11.329 -5.546 -2.418 1.00 0.00 H new ATOM 0 HA ASP A 47 10.042 -2.986 -3.100 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.062 -4.800 -4.258 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.974 -4.092 -5.436 1.00 0.00 H new ATOM 743 N GLU A 48 7.999 -4.787 -3.371 1.00 0.00 N ATOM 744 CA GLU A 48 6.822 -5.450 -3.920 1.00 0.00 C ATOM 745 C GLU A 48 5.591 -4.839 -3.271 1.00 0.00 C ATOM 746 O GLU A 48 4.848 -5.471 -2.547 1.00 0.00 O ATOM 747 CB GLU A 48 6.940 -6.921 -3.585 1.00 0.00 C ATOM 748 CG GLU A 48 6.827 -7.759 -4.851 1.00 0.00 C ATOM 749 CD GLU A 48 5.355 -7.939 -5.225 1.00 0.00 C ATOM 750 OE1 GLU A 48 4.512 -7.571 -4.423 1.00 0.00 O ATOM 751 OE2 GLU A 48 5.096 -8.439 -6.307 1.00 0.00 O ATOM 0 H GLU A 48 7.897 -4.449 -2.414 1.00 0.00 H new ATOM 0 HA GLU A 48 6.743 -5.328 -5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.895 -7.115 -3.096 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.158 -7.205 -2.881 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.362 -7.274 -5.668 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.294 -8.732 -4.697 1.00 0.00 H new ATOM 758 N LEU A 49 5.418 -3.593 -3.538 1.00 0.00 N ATOM 759 CA LEU A 49 4.298 -2.798 -2.991 1.00 0.00 C ATOM 760 C LEU A 49 4.833 -1.378 -2.911 1.00 0.00 C ATOM 761 O LEU A 49 4.141 -0.418 -3.185 1.00 0.00 O ATOM 762 CB LEU A 49 3.859 -3.308 -1.609 1.00 0.00 C ATOM 763 CG LEU A 49 5.068 -3.510 -0.696 1.00 0.00 C ATOM 764 CD1 LEU A 49 5.243 -2.277 0.189 1.00 0.00 C ATOM 765 CD2 LEU A 49 4.835 -4.738 0.188 1.00 0.00 C ATOM 0 H LEU A 49 6.040 -3.061 -4.146 1.00 0.00 H new ATOM 0 HA LEU A 49 3.409 -2.868 -3.618 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.170 -2.595 -1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.319 -4.248 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 49 5.963 -3.658 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.104 -2.417 0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.401 -1.399 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.348 -2.134 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.696 -4.885 0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.942 -4.586 0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.701 -5.619 -0.440 1.00 0.00 H new ATOM 777 N PHE A 50 6.107 -1.251 -2.621 1.00 0.00 N ATOM 778 CA PHE A 50 6.732 0.095 -2.622 1.00 0.00 C ATOM 779 C PHE A 50 7.083 0.385 -4.058 1.00 0.00 C ATOM 780 O PHE A 50 6.794 1.430 -4.591 1.00 0.00 O ATOM 781 CB PHE A 50 8.014 0.115 -1.805 1.00 0.00 C ATOM 782 CG PHE A 50 8.376 1.554 -1.500 1.00 0.00 C ATOM 783 CD1 PHE A 50 7.423 2.414 -0.937 1.00 0.00 C ATOM 784 CD2 PHE A 50 9.663 2.030 -1.785 1.00 0.00 C ATOM 785 CE1 PHE A 50 7.757 3.746 -0.660 1.00 0.00 C ATOM 786 CE2 PHE A 50 9.995 3.364 -1.507 1.00 0.00 C ATOM 787 CZ PHE A 50 9.042 4.220 -0.945 1.00 0.00 C ATOM 0 H PHE A 50 6.732 -2.022 -2.386 1.00 0.00 H new ATOM 0 HA PHE A 50 6.049 0.826 -2.189 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.880 -0.445 -0.879 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.821 -0.368 -2.356 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.431 2.049 -0.717 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.399 1.369 -2.219 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.022 4.408 -0.226 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.987 3.730 -1.727 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.298 5.247 -0.731 1.00 0.00 H new ATOM 797 N GLU A 51 7.699 -0.577 -4.682 1.00 0.00 N ATOM 798 CA GLU A 51 8.085 -0.426 -6.110 1.00 0.00 C ATOM 799 C GLU A 51 6.814 -0.326 -6.946 1.00 0.00 C ATOM 800 O GLU A 51 6.759 0.371 -7.941 1.00 0.00 O ATOM 801 CB GLU A 51 8.906 -1.641 -6.552 1.00 0.00 C ATOM 802 CG GLU A 51 7.990 -2.858 -6.732 1.00 0.00 C ATOM 803 CD GLU A 51 7.330 -2.810 -8.113 1.00 0.00 C ATOM 804 OE1 GLU A 51 7.826 -2.083 -8.959 1.00 0.00 O ATOM 805 OE2 GLU A 51 6.341 -3.500 -8.300 1.00 0.00 O ATOM 0 H GLU A 51 7.954 -1.470 -4.260 1.00 0.00 H new ATOM 0 HA GLU A 51 8.688 0.472 -6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.420 -1.421 -7.488 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.674 -1.860 -5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.566 -3.777 -6.626 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.227 -2.868 -5.954 1.00 0.00 H new ATOM 812 N GLU A 52 5.789 -1.023 -6.543 1.00 0.00 N ATOM 813 CA GLU A 52 4.507 -0.978 -7.305 1.00 0.00 C ATOM 814 C GLU A 52 4.118 0.475 -7.588 1.00 0.00 C ATOM 815 O GLU A 52 3.560 0.790 -8.621 1.00 0.00 O ATOM 816 CB GLU A 52 3.408 -1.630 -6.472 1.00 0.00 C ATOM 817 CG GLU A 52 3.547 -3.152 -6.540 1.00 0.00 C ATOM 818 CD GLU A 52 2.682 -3.692 -7.680 1.00 0.00 C ATOM 819 OE1 GLU A 52 2.265 -2.899 -8.507 1.00 0.00 O ATOM 820 OE2 GLU A 52 2.452 -4.890 -7.704 1.00 0.00 O ATOM 0 H GLU A 52 5.782 -1.623 -5.718 1.00 0.00 H new ATOM 0 HA GLU A 52 4.632 -1.510 -8.248 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.475 -1.295 -5.437 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.429 -1.327 -6.843 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.590 -3.426 -6.699 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.241 -3.599 -5.594 1.00 0.00 H new ATOM 827 N LEU A 53 4.401 1.359 -6.674 1.00 0.00 N ATOM 828 CA LEU A 53 4.057 2.780 -6.855 1.00 0.00 C ATOM 829 C LEU A 53 5.349 3.598 -6.863 1.00 0.00 C ATOM 830 O LEU A 53 5.347 4.788 -7.099 1.00 0.00 O ATOM 831 CB LEU A 53 3.179 3.205 -5.684 1.00 0.00 C ATOM 832 CG LEU A 53 1.716 2.845 -5.963 1.00 0.00 C ATOM 833 CD1 LEU A 53 1.327 3.298 -7.370 1.00 0.00 C ATOM 834 CD2 LEU A 53 1.536 1.329 -5.852 1.00 0.00 C ATOM 0 H LEU A 53 4.867 1.143 -5.793 1.00 0.00 H new ATOM 0 HA LEU A 53 3.525 2.940 -7.793 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.515 2.713 -4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.272 4.279 -5.521 1.00 0.00 H new ATOM 0 HG LEU A 53 1.079 3.347 -5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.286 3.039 -7.561 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.453 4.378 -7.453 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.965 2.801 -8.101 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.496 1.071 -6.050 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.178 0.832 -6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.806 1.003 -4.847 1.00 0.00 H new ATOM 846 N ASP A 54 6.459 2.949 -6.636 1.00 0.00 N ATOM 847 CA ASP A 54 7.775 3.650 -6.660 1.00 0.00 C ATOM 848 C ASP A 54 8.478 3.283 -7.958 1.00 0.00 C ATOM 849 O ASP A 54 9.653 3.520 -8.154 1.00 0.00 O ATOM 850 CB ASP A 54 8.614 3.157 -5.507 1.00 0.00 C ATOM 851 CG ASP A 54 9.799 4.099 -5.275 1.00 0.00 C ATOM 852 OD1 ASP A 54 10.264 4.686 -6.239 1.00 0.00 O ATOM 853 OD2 ASP A 54 10.220 4.217 -4.136 1.00 0.00 O ATOM 0 H ASP A 54 6.510 1.951 -6.433 1.00 0.00 H new ATOM 0 HA ASP A 54 7.634 4.728 -6.584 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.006 3.097 -4.605 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.976 2.150 -5.715 1.00 0.00 H new ATOM 858 N LYS A 55 7.733 2.690 -8.822 1.00 0.00 N ATOM 859 CA LYS A 55 8.237 2.244 -10.128 1.00 0.00 C ATOM 860 C LYS A 55 9.301 3.212 -10.665 1.00 0.00 C ATOM 861 O LYS A 55 10.478 3.045 -10.413 1.00 0.00 O ATOM 862 CB LYS A 55 7.063 2.191 -11.121 1.00 0.00 C ATOM 863 CG LYS A 55 5.771 2.907 -10.627 1.00 0.00 C ATOM 864 CD LYS A 55 6.065 4.284 -9.976 1.00 0.00 C ATOM 865 CE LYS A 55 4.915 5.282 -10.219 1.00 0.00 C ATOM 866 NZ LYS A 55 3.809 4.646 -10.993 1.00 0.00 N ATOM 0 H LYS A 55 6.746 2.486 -8.668 1.00 0.00 H new ATOM 0 HA LYS A 55 8.689 1.259 -10.012 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.378 2.643 -12.062 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.828 1.148 -11.332 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.092 3.044 -11.468 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.260 2.270 -9.905 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.216 4.156 -8.904 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.992 4.689 -10.383 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.534 5.643 -9.264 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.291 6.150 -10.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.000 5.298 -11.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.138 4.431 -11.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.517 3.766 -10.522 1.00 0.00 H new ATOM 880 N ASN A 56 8.911 4.210 -11.407 1.00 0.00 N ATOM 881 CA ASN A 56 9.921 5.164 -11.958 1.00 0.00 C ATOM 882 C ASN A 56 10.340 6.112 -10.835 1.00 0.00 C ATOM 883 O ASN A 56 11.129 7.014 -11.032 1.00 0.00 O ATOM 884 CB ASN A 56 9.301 6.031 -13.070 1.00 0.00 C ATOM 885 CG ASN A 56 7.967 5.451 -13.538 1.00 0.00 C ATOM 886 OD1 ASN A 56 7.905 4.728 -14.512 1.00 0.00 O ATOM 887 ND2 ASN A 56 6.888 5.749 -12.865 1.00 0.00 N ATOM 0 H ASN A 56 7.942 4.408 -11.657 1.00 0.00 H new ATOM 0 HA ASN A 56 10.761 4.595 -12.357 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.151 7.046 -12.703 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.989 6.095 -13.913 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.985 5.374 -13.156 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.948 6.357 -12.048 1.00 0.00 H new ATOM 894 N GLY A 57 9.783 5.938 -9.668 1.00 0.00 N ATOM 895 CA GLY A 57 10.106 6.850 -8.546 1.00 0.00 C ATOM 896 C GLY A 57 8.957 7.847 -8.434 1.00 0.00 C ATOM 897 O GLY A 57 9.034 8.955 -8.929 1.00 0.00 O ATOM 0 H GLY A 57 9.116 5.199 -9.447 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.223 6.292 -7.617 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.048 7.367 -8.729 1.00 0.00 H new ATOM 901 N ASP A 58 7.884 7.465 -7.794 1.00 0.00 N ATOM 902 CA ASP A 58 6.736 8.406 -7.674 1.00 0.00 C ATOM 903 C ASP A 58 6.915 9.204 -6.372 1.00 0.00 C ATOM 904 O ASP A 58 6.311 10.241 -6.178 1.00 0.00 O ATOM 905 CB ASP A 58 5.378 7.645 -7.728 1.00 0.00 C ATOM 906 CG ASP A 58 4.701 7.629 -6.352 1.00 0.00 C ATOM 907 OD1 ASP A 58 4.311 8.688 -5.894 1.00 0.00 O ATOM 908 OD2 ASP A 58 4.586 6.556 -5.785 1.00 0.00 O ATOM 0 H ASP A 58 7.754 6.554 -7.355 1.00 0.00 H new ATOM 0 HA ASP A 58 6.718 9.098 -8.516 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.720 8.120 -8.455 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.543 6.623 -8.068 1.00 0.00 H new ATOM 913 N GLY A 59 7.778 8.740 -5.497 1.00 0.00 N ATOM 914 CA GLY A 59 8.043 9.477 -4.231 1.00 0.00 C ATOM 915 C GLY A 59 7.192 8.927 -3.090 1.00 0.00 C ATOM 916 O GLY A 59 7.634 8.858 -1.960 1.00 0.00 O ATOM 0 H GLY A 59 8.310 7.877 -5.612 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.099 9.397 -3.973 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.829 10.537 -4.371 1.00 0.00 H new ATOM 920 N GLU A 60 5.977 8.552 -3.356 1.00 0.00 N ATOM 921 CA GLU A 60 5.125 8.030 -2.242 1.00 0.00 C ATOM 922 C GLU A 60 3.918 7.257 -2.781 1.00 0.00 C ATOM 923 O GLU A 60 3.511 7.422 -3.912 1.00 0.00 O ATOM 924 CB GLU A 60 4.626 9.193 -1.374 1.00 0.00 C ATOM 925 CG GLU A 60 4.734 10.517 -2.141 1.00 0.00 C ATOM 926 CD GLU A 60 3.997 10.398 -3.476 1.00 0.00 C ATOM 927 OE1 GLU A 60 2.931 9.806 -3.491 1.00 0.00 O ATOM 928 OE2 GLU A 60 4.511 10.904 -4.460 1.00 0.00 O ATOM 0 H GLU A 60 5.537 8.580 -4.276 1.00 0.00 H new ATOM 0 HA GLU A 60 5.737 7.353 -1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.591 9.018 -1.081 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.212 9.248 -0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.308 11.327 -1.550 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.781 10.765 -2.313 1.00 0.00 H new ATOM 935 N VAL A 61 3.336 6.423 -1.956 1.00 0.00 N ATOM 936 CA VAL A 61 2.142 5.638 -2.389 1.00 0.00 C ATOM 937 C VAL A 61 0.901 6.166 -1.680 1.00 0.00 C ATOM 938 O VAL A 61 0.442 5.619 -0.697 1.00 0.00 O ATOM 939 CB VAL A 61 2.344 4.187 -2.023 1.00 0.00 C ATOM 940 CG1 VAL A 61 1.425 3.307 -2.869 1.00 0.00 C ATOM 941 CG2 VAL A 61 3.796 3.831 -2.297 1.00 0.00 C ATOM 0 H VAL A 61 3.639 6.252 -0.997 1.00 0.00 H new ATOM 0 HA VAL A 61 2.013 5.734 -3.467 1.00 0.00 H new ATOM 0 HB VAL A 61 2.107 4.025 -0.972 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.575 2.261 -2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.387 3.583 -2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.657 3.448 -3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.969 2.786 -2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.016 3.987 -3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.446 4.465 -1.694 1.00 0.00 H new ATOM 951 N SER A 62 0.361 7.224 -2.186 1.00 0.00 N ATOM 952 CA SER A 62 -0.861 7.822 -1.569 1.00 0.00 C ATOM 953 C SER A 62 -2.043 6.881 -1.799 1.00 0.00 C ATOM 954 O SER A 62 -1.862 5.728 -2.112 1.00 0.00 O ATOM 955 CB SER A 62 -1.158 9.178 -2.221 1.00 0.00 C ATOM 956 OG SER A 62 -2.167 9.013 -3.211 1.00 0.00 O ATOM 0 H SER A 62 0.710 7.713 -3.010 1.00 0.00 H new ATOM 0 HA SER A 62 -0.700 7.965 -0.500 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.486 9.893 -1.467 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.252 9.584 -2.672 1.00 0.00 H new ATOM 0 HG SER A 62 -2.360 9.878 -3.628 1.00 0.00 H new ATOM 962 N PHE A 63 -3.248 7.365 -1.655 1.00 0.00 N ATOM 963 CA PHE A 63 -4.441 6.494 -1.876 1.00 0.00 C ATOM 964 C PHE A 63 -4.720 6.328 -3.366 1.00 0.00 C ATOM 965 O PHE A 63 -5.178 5.298 -3.764 1.00 0.00 O ATOM 966 CB PHE A 63 -5.672 7.101 -1.233 1.00 0.00 C ATOM 967 CG PHE A 63 -6.726 6.075 -1.432 1.00 0.00 C ATOM 968 CD1 PHE A 63 -6.512 4.803 -0.913 1.00 0.00 C ATOM 969 CD2 PHE A 63 -7.849 6.348 -2.199 1.00 0.00 C ATOM 970 CE1 PHE A 63 -7.430 3.794 -1.141 1.00 0.00 C ATOM 971 CE2 PHE A 63 -8.773 5.338 -2.449 1.00 0.00 C ATOM 972 CZ PHE A 63 -8.570 4.050 -1.917 1.00 0.00 C ATOM 0 H PHE A 63 -3.459 8.328 -1.393 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.223 5.525 -1.427 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.509 7.306 -0.175 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.942 8.047 -1.703 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.626 4.602 -0.330 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.005 7.339 -2.600 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.269 2.811 -0.723 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -9.646 5.542 -3.051 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.287 3.265 -2.105 1.00 0.00 H new ATOM 982 N GLU A 64 -4.468 7.319 -4.188 1.00 0.00 N ATOM 983 CA GLU A 64 -4.742 7.169 -5.660 1.00 0.00 C ATOM 984 C GLU A 64 -3.598 6.366 -6.304 1.00 0.00 C ATOM 985 O GLU A 64 -3.797 5.672 -7.282 1.00 0.00 O ATOM 986 CB GLU A 64 -4.850 8.553 -6.290 1.00 0.00 C ATOM 987 CG GLU A 64 -6.109 9.233 -5.748 1.00 0.00 C ATOM 988 CD GLU A 64 -6.212 10.652 -6.307 1.00 0.00 C ATOM 989 OE1 GLU A 64 -5.942 10.826 -7.484 1.00 0.00 O ATOM 990 OE2 GLU A 64 -6.557 11.542 -5.548 1.00 0.00 O ATOM 0 H GLU A 64 -4.086 8.223 -3.909 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.679 6.636 -5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.967 9.147 -6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.900 8.473 -7.376 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.992 8.658 -6.026 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.077 9.263 -4.659 1.00 0.00 H new ATOM 997 N GLU A 65 -2.421 6.398 -5.736 1.00 0.00 N ATOM 998 CA GLU A 65 -1.314 5.569 -6.295 1.00 0.00 C ATOM 999 C GLU A 65 -1.593 4.136 -5.837 1.00 0.00 C ATOM 1000 O GLU A 65 -1.609 3.198 -6.608 1.00 0.00 O ATOM 1001 CB GLU A 65 0.028 6.049 -5.738 1.00 0.00 C ATOM 1002 CG GLU A 65 0.539 7.224 -6.575 1.00 0.00 C ATOM 1003 CD GLU A 65 1.752 6.778 -7.396 1.00 0.00 C ATOM 1004 OE1 GLU A 65 2.483 5.929 -6.917 1.00 0.00 O ATOM 1005 OE2 GLU A 65 1.927 7.296 -8.486 1.00 0.00 O ATOM 0 H GLU A 65 -2.180 6.957 -4.917 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.264 5.639 -7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.086 6.353 -4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.753 5.235 -5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.249 7.583 -7.237 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.812 8.055 -5.925 1.00 0.00 H new ATOM 1012 N PHE A 66 -1.883 4.004 -4.572 1.00 0.00 N ATOM 1013 CA PHE A 66 -2.258 2.697 -3.970 1.00 0.00 C ATOM 1014 C PHE A 66 -3.672 2.365 -4.428 1.00 0.00 C ATOM 1015 O PHE A 66 -4.145 1.275 -4.337 1.00 0.00 O ATOM 1016 CB PHE A 66 -2.300 2.906 -2.455 1.00 0.00 C ATOM 1017 CG PHE A 66 -3.282 1.932 -1.912 1.00 0.00 C ATOM 1018 CD1 PHE A 66 -4.639 2.236 -2.036 1.00 0.00 C ATOM 1019 CD2 PHE A 66 -2.867 0.696 -1.437 1.00 0.00 C ATOM 1020 CE1 PHE A 66 -5.581 1.316 -1.678 1.00 0.00 C ATOM 1021 CE2 PHE A 66 -3.823 -0.244 -1.098 1.00 0.00 C ATOM 1022 CZ PHE A 66 -5.176 0.077 -1.225 1.00 0.00 C ATOM 0 H PHE A 66 -1.874 4.779 -3.909 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.561 1.907 -4.252 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.315 2.747 -2.016 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.595 3.927 -2.214 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.943 3.200 -2.416 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.816 0.472 -1.334 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.632 1.555 -1.748 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.526 -1.218 -0.738 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.921 -0.660 -0.963 1.00 0.00 H new ATOM 1032 N GLN A 67 -4.375 3.323 -4.822 1.00 0.00 N ATOM 1033 CA GLN A 67 -5.757 3.118 -5.197 1.00 0.00 C ATOM 1034 C GLN A 67 -5.846 1.906 -6.112 1.00 0.00 C ATOM 1035 O GLN A 67 -6.323 0.856 -5.727 1.00 0.00 O ATOM 1036 CB GLN A 67 -6.140 4.394 -5.895 1.00 0.00 C ATOM 1037 CG GLN A 67 -7.236 5.117 -5.101 1.00 0.00 C ATOM 1038 CD GLN A 67 -8.429 4.768 -5.860 1.00 0.00 C ATOM 1039 OE1 GLN A 67 -9.235 5.587 -6.256 1.00 0.00 O ATOM 1040 NE2 GLN A 67 -8.550 3.529 -6.074 1.00 0.00 N ATOM 0 H GLN A 67 -4.045 4.284 -4.907 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.424 2.917 -4.359 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.267 5.039 -5.996 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.493 4.175 -6.903 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.291 4.770 -4.069 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.073 6.194 -5.066 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.847 2.879 -5.721 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.351 3.178 -6.600 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.364 2.031 -7.302 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.387 0.864 -8.224 1.00 0.00 C ATOM 1051 C VAL A 68 -4.725 -0.320 -7.527 1.00 0.00 C ATOM 1052 O VAL A 68 -4.970 -1.458 -7.850 1.00 0.00 O ATOM 1053 CB VAL A 68 -4.651 1.196 -9.526 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -4.663 -0.026 -10.448 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -5.353 2.367 -10.223 1.00 0.00 C ATOM 0 H VAL A 68 -4.955 2.884 -7.683 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.418 0.615 -8.476 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.620 1.469 -9.300 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.139 0.212 -11.374 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.165 -0.860 -9.953 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.693 -0.301 -10.674 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.831 2.605 -11.150 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.384 2.092 -10.448 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.345 3.238 -9.568 1.00 0.00 H new ATOM 1065 N LEU A 69 -3.918 -0.045 -6.546 1.00 0.00 N ATOM 1066 CA LEU A 69 -3.256 -1.130 -5.756 1.00 0.00 C ATOM 1067 C LEU A 69 -4.333 -2.023 -5.171 1.00 0.00 C ATOM 1068 O LEU A 69 -4.349 -3.227 -5.326 1.00 0.00 O ATOM 1069 CB LEU A 69 -2.507 -0.492 -4.597 1.00 0.00 C ATOM 1070 CG LEU A 69 -1.666 -1.525 -3.948 1.00 0.00 C ATOM 1071 CD1 LEU A 69 -0.832 -2.290 -4.982 1.00 0.00 C ATOM 1072 CD2 LEU A 69 -0.748 -0.888 -2.903 1.00 0.00 C ATOM 0 H LEU A 69 -3.681 0.901 -6.248 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.579 -1.700 -6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.887 0.330 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.210 -0.071 -3.878 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.330 -2.233 -3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.225 -3.041 -4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.496 -2.779 -5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.181 -1.594 -5.511 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.137 -1.661 -2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.100 -0.156 -3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.351 -0.393 -2.142 1.00 0.00 H new ATOM 1084 N VAL A 70 -5.218 -1.398 -4.487 1.00 0.00 N ATOM 1085 CA VAL A 70 -6.348 -2.090 -3.831 1.00 0.00 C ATOM 1086 C VAL A 70 -7.065 -2.989 -4.853 1.00 0.00 C ATOM 1087 O VAL A 70 -7.452 -4.100 -4.552 1.00 0.00 O ATOM 1088 CB VAL A 70 -7.277 -0.994 -3.278 1.00 0.00 C ATOM 1089 CG1 VAL A 70 -8.407 -0.687 -4.250 1.00 0.00 C ATOM 1090 CG2 VAL A 70 -7.866 -1.428 -1.944 1.00 0.00 C ATOM 0 H VAL A 70 -5.211 -0.388 -4.345 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.017 -2.736 -3.018 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.680 -0.092 -3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.046 0.091 -3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.990 -0.343 -5.196 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.996 -1.588 -4.419 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.521 -0.644 -1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.439 -2.345 -2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.061 -1.606 -1.231 1.00 0.00 H new ATOM 1100 N LYS A 71 -7.232 -2.516 -6.061 1.00 0.00 N ATOM 1101 CA LYS A 71 -7.909 -3.339 -7.107 1.00 0.00 C ATOM 1102 C LYS A 71 -6.903 -4.334 -7.699 1.00 0.00 C ATOM 1103 O LYS A 71 -7.268 -5.341 -8.274 1.00 0.00 O ATOM 1104 CB LYS A 71 -8.435 -2.417 -8.216 1.00 0.00 C ATOM 1105 CG LYS A 71 -8.724 -3.238 -9.476 1.00 0.00 C ATOM 1106 CD LYS A 71 -9.682 -2.467 -10.386 1.00 0.00 C ATOM 1107 CE LYS A 71 -11.105 -2.574 -9.836 1.00 0.00 C ATOM 1108 NZ LYS A 71 -11.727 -1.221 -9.802 1.00 0.00 N ATOM 0 H LYS A 71 -6.928 -1.592 -6.369 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.742 -3.885 -6.664 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.342 -1.913 -7.883 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.701 -1.641 -8.436 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.795 -3.449 -10.005 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.160 -4.199 -9.203 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.381 -1.421 -10.445 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.641 -2.868 -11.399 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.698 -3.243 -10.460 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.088 -3.003 -8.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.695 -1.293 -9.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.165 -0.596 -9.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.756 -0.828 -10.764 1.00 0.00 H new ATOM 1122 N LYS A 72 -5.641 -4.047 -7.567 1.00 0.00 N ATOM 1123 CA LYS A 72 -4.594 -4.949 -8.117 1.00 0.00 C ATOM 1124 C LYS A 72 -4.425 -6.149 -7.190 1.00 0.00 C ATOM 1125 O LYS A 72 -3.812 -7.139 -7.540 1.00 0.00 O ATOM 1126 CB LYS A 72 -3.272 -4.184 -8.206 1.00 0.00 C ATOM 1127 CG LYS A 72 -2.641 -4.405 -9.582 1.00 0.00 C ATOM 1128 CD LYS A 72 -1.477 -3.432 -9.774 1.00 0.00 C ATOM 1129 CE LYS A 72 -0.247 -4.196 -10.269 1.00 0.00 C ATOM 1130 NZ LYS A 72 0.294 -5.034 -9.160 1.00 0.00 N ATOM 0 H LYS A 72 -5.285 -3.215 -7.096 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.886 -5.294 -9.109 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.444 -3.120 -8.041 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.592 -4.522 -7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.288 -5.432 -9.671 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.386 -4.255 -10.363 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.751 -2.659 -10.492 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.251 -2.929 -8.834 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.513 -4.825 -11.118 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.514 -3.497 -10.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.331 -4.960 -9.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.091 -4.701 -8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.020 -6.026 -9.309 1.00 0.00 H new ATOM 1144 N ILE A 73 -4.966 -6.064 -6.008 1.00 0.00 N ATOM 1145 CA ILE A 73 -4.845 -7.186 -5.047 1.00 0.00 C ATOM 1146 C ILE A 73 -5.620 -8.403 -5.552 1.00 0.00 C ATOM 1147 O ILE A 73 -5.574 -9.471 -4.973 1.00 0.00 O ATOM 1148 CB ILE A 73 -5.404 -6.734 -3.702 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -4.472 -5.681 -3.101 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -5.513 -7.930 -2.755 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -5.084 -5.128 -1.814 1.00 0.00 C ATOM 0 H ILE A 73 -5.490 -5.258 -5.667 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.797 -7.468 -4.941 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.396 -6.306 -3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.497 -6.121 -2.892 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.311 -4.873 -3.815 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.913 -7.600 -1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.178 -8.677 -3.188 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.526 -8.367 -2.605 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.418 -4.378 -1.388 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.049 -4.672 -2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.222 -5.939 -1.099 1.00 0.00 H new ATOM 1163 N SER A 74 -6.325 -8.244 -6.624 1.00 0.00 N ATOM 1164 CA SER A 74 -7.115 -9.376 -7.186 1.00 0.00 C ATOM 1165 C SER A 74 -6.210 -10.595 -7.408 1.00 0.00 C ATOM 1166 O SER A 74 -6.405 -11.636 -6.816 1.00 0.00 O ATOM 1167 CB SER A 74 -7.748 -8.945 -8.511 1.00 0.00 C ATOM 1168 OG SER A 74 -8.667 -9.942 -8.938 1.00 0.00 O ATOM 0 H SER A 74 -6.393 -7.371 -7.147 1.00 0.00 H new ATOM 0 HA SER A 74 -7.900 -9.650 -6.482 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.260 -7.990 -8.389 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.975 -8.799 -9.266 1.00 0.00 H new ATOM 0 HG SER A 74 -9.076 -9.669 -9.786 1.00 0.00 H new ATOM 1174 N GLN A 75 -5.229 -10.480 -8.258 1.00 0.00 N ATOM 1175 CA GLN A 75 -4.324 -11.637 -8.516 1.00 0.00 C ATOM 1176 C GLN A 75 -3.616 -12.038 -7.220 1.00 0.00 C ATOM 1177 O GLN A 75 -4.141 -11.876 -6.137 1.00 0.00 O ATOM 1178 CB GLN A 75 -3.284 -11.246 -9.565 1.00 0.00 C ATOM 1179 CG GLN A 75 -3.993 -10.678 -10.796 1.00 0.00 C ATOM 1180 CD GLN A 75 -2.976 -10.447 -11.915 1.00 0.00 C ATOM 1181 OE1 GLN A 75 -3.320 -10.475 -13.080 1.00 0.00 O ATOM 1182 NE2 GLN A 75 -1.729 -10.217 -11.608 1.00 0.00 N ATOM 1183 OXT GLN A 75 -2.424 -12.563 -7.322 1.00 0.00 O ATOM 0 H GLN A 75 -5.013 -9.635 -8.786 1.00 0.00 H new ATOM 0 HA GLN A 75 -4.911 -12.480 -8.881 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -2.597 -10.506 -9.154 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.688 -12.115 -9.844 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -4.768 -11.367 -11.132 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -4.488 -9.741 -10.542 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.441 -10.194 -10.630 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.043 -10.061 -12.346 1.00 0.00 H new TER 1192 GLN A 75