USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 658 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 75 ASN :FLIP amide:sc= -7.6! C(o=-23!,f=-13!) USER MOD Set 1.2: A 77 THR OG1 : rot 84:sc= -5.23! USER MOD Set 2.1: A 43 CYS SG : rot 142:sc= -1.79 USER MOD Set 2.2: A 45 GLN :FLIP amide:sc= -2.94 F(o=-12!,f=-10) USER MOD Set 2.3: A 48 CYS SG : rot -147:sc= 0.123 USER MOD Set 2.4: A 64 HIS : no HE2:sc= -3.09! C(o=-10!,f=-16!) USER MOD Set 2.5: A 68 LYS NZ :NH3+ 178:sc= 0.632 (180deg=-0.45) USER MOD Set 2.6: A 70 HIS : no HE2:sc= -3.39 K(o=-10,f=-12) USER MOD Set 3.1: A 30 CYS SG : rot -152:sc= -1.09! USER MOD Set 3.2: A 33 CYS SG : rot -156:sc= -0.173 USER MOD Set 3.3: A 53 CYS SG : rot -116:sc= 1.47 USER MOD Set 3.4: A 60 HIS :FLIP no HD1:sc= -1.98 F(o=-4.3!,f=-1.8) USER MOD Set 4.1: A 31 GLN : amide:sc= -5.65! C(o=-5.6!,f=-7.6!) USER MOD Set 4.2: A 32 SER OG : rot 119:sc= 0.00822 USER MOD Set 5.1: A 8 CYS SG : rot 151:sc= -4.22 USER MOD Set 5.2: A 10 HIS : no HD1:sc= -2.74! C(o=-18!,f=-23!) USER MOD Set 5.3: A 83 CYS SG : rot -158:sc= -5.2 USER MOD Set 5.4: A 86 CYS SG : rot 133:sc= -5.65! USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.65 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -142:sc= 1.25 (180deg=0.666) USER MOD Single : A 26 SER OG : rot -50:sc= -0.68 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.713! USER MOD Single : A 39 ASN : amide:sc= 0.0589 K(o=0.059,f=-0.86) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -150:sc= -1.21 USER MOD Single : A 61 SER OG : rot -115:sc= 0.966 USER MOD Single : A 62 THR OG1 : rot -56:sc= -1.1! USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 69 LYS NZ :NH3+ -151:sc= -0.0799 (180deg=-0.485) USER MOD Single : A 71 ASN : amide:sc= -2.15! C(o=-2.1!,f=-2.1!) USER MOD Single : A 73 THR OG1 : rot 11:sc= -0.865! USER MOD Single : A 78 THR OG1 : rot -99:sc= 0.257 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -130:sc= -1.29 (180deg=-3.66!) USER MOD Single : A 94 GLN :FLIP amide:sc= -0.603 F(o=-1.4,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 72 N ASP A 6 12.690 6.108 5.295 1.00 0.00 N ATOM 73 CA ASP A 6 11.281 5.990 4.823 1.00 0.00 C ATOM 74 C ASP A 6 11.142 4.751 3.934 1.00 0.00 C ATOM 75 O ASP A 6 10.091 4.146 3.856 1.00 0.00 O ATOM 76 CB ASP A 6 10.912 7.246 4.023 1.00 0.00 C ATOM 77 CG ASP A 6 9.469 7.652 4.331 1.00 0.00 C ATOM 78 OD1 ASP A 6 9.207 8.843 4.380 1.00 0.00 O ATOM 79 OD2 ASP A 6 8.651 6.767 4.513 1.00 0.00 O ATOM 0 HA ASP A 6 10.612 5.893 5.678 1.00 0.00 H new ATOM 0 HB2 ASP A 6 11.590 8.061 4.275 1.00 0.00 H new ATOM 0 HB3 ASP A 6 11.026 7.055 2.956 1.00 0.00 H new ATOM 84 N LEU A 7 12.192 4.373 3.259 1.00 0.00 N ATOM 85 CA LEU A 7 12.115 3.179 2.372 1.00 0.00 C ATOM 86 C LEU A 7 12.070 1.905 3.229 1.00 0.00 C ATOM 87 O LEU A 7 12.531 1.884 4.352 1.00 0.00 O ATOM 88 CB LEU A 7 13.326 3.185 1.406 1.00 0.00 C ATOM 89 CG LEU A 7 14.471 2.254 1.867 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.844 2.519 3.336 1.00 0.00 C ATOM 91 CD2 LEU A 7 14.074 0.777 1.673 1.00 0.00 C ATOM 0 H LEU A 7 13.099 4.839 3.283 1.00 0.00 H new ATOM 0 HA LEU A 7 11.205 3.206 1.772 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.994 2.879 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.707 4.202 1.315 1.00 0.00 H new ATOM 0 HG LEU A 7 15.346 2.467 1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.652 1.850 3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.170 3.553 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 7 13.975 2.342 3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.891 0.134 2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.182 0.560 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.868 0.591 0.619 1.00 0.00 H new ATOM 103 N CYS A 8 11.511 0.844 2.703 1.00 0.00 N ATOM 104 CA CYS A 8 11.430 -0.439 3.471 1.00 0.00 C ATOM 105 C CYS A 8 12.092 -1.544 2.638 1.00 0.00 C ATOM 106 O CYS A 8 12.242 -1.420 1.440 1.00 0.00 O ATOM 107 CB CYS A 8 9.953 -0.795 3.761 1.00 0.00 C ATOM 108 SG CYS A 8 9.529 -2.403 3.021 1.00 0.00 S ATOM 0 H CYS A 8 11.104 0.810 1.768 1.00 0.00 H new ATOM 0 HA CYS A 8 11.946 -0.336 4.426 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.785 -0.828 4.837 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.300 -0.020 3.360 1.00 0.00 H new ATOM 0 HG CYS A 8 8.593 -2.970 3.722 1.00 0.00 H new ATOM 113 N PRO A 9 12.496 -2.614 3.266 1.00 0.00 N ATOM 114 CA PRO A 9 13.164 -3.757 2.571 1.00 0.00 C ATOM 115 C PRO A 9 12.332 -4.253 1.388 1.00 0.00 C ATOM 116 O PRO A 9 12.790 -4.310 0.264 1.00 0.00 O ATOM 117 CB PRO A 9 13.244 -4.844 3.659 1.00 0.00 C ATOM 118 CG PRO A 9 12.292 -4.399 4.719 1.00 0.00 C ATOM 119 CD PRO A 9 12.352 -2.879 4.697 1.00 0.00 C ATOM 0 HA PRO A 9 14.135 -3.482 2.160 1.00 0.00 H new ATOM 0 HB2 PRO A 9 12.965 -5.820 3.263 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.257 -4.936 4.051 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.282 -4.756 4.516 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.579 -4.790 5.695 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.450 -2.427 5.109 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.194 -2.493 5.272 1.00 0.00 H new ATOM 127 N HIS A 10 11.109 -4.607 1.647 1.00 0.00 N ATOM 128 CA HIS A 10 10.216 -5.101 0.558 1.00 0.00 C ATOM 129 C HIS A 10 9.712 -3.912 -0.259 1.00 0.00 C ATOM 130 O HIS A 10 8.976 -4.067 -1.213 1.00 0.00 O ATOM 131 CB HIS A 10 9.026 -5.861 1.168 1.00 0.00 C ATOM 132 CG HIS A 10 9.475 -6.566 2.419 1.00 0.00 C ATOM 133 ND1 HIS A 10 9.529 -5.934 3.662 1.00 0.00 N ATOM 134 CD2 HIS A 10 9.898 -7.855 2.632 1.00 0.00 C ATOM 135 CE1 HIS A 10 9.974 -6.848 4.548 1.00 0.00 C ATOM 136 NE2 HIS A 10 10.211 -8.026 3.971 1.00 0.00 N ATOM 0 H HIS A 10 10.682 -4.577 2.573 1.00 0.00 H new ATOM 0 HA HIS A 10 10.771 -5.777 -0.092 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.216 -5.168 1.398 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.634 -6.582 0.451 1.00 0.00 H new ATOM 0 HD2 HIS A 10 9.975 -8.619 1.872 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.121 -6.649 5.599 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.552 -8.876 4.421 1.00 0.00 H new ATOM 144 N LEU A 11 10.105 -2.725 0.108 1.00 0.00 N ATOM 145 CA LEU A 11 9.654 -1.519 -0.640 1.00 0.00 C ATOM 146 C LEU A 11 10.377 -1.448 -1.984 1.00 0.00 C ATOM 147 O LEU A 11 9.873 -0.900 -2.943 1.00 0.00 O ATOM 148 CB LEU A 11 9.971 -0.274 0.194 1.00 0.00 C ATOM 149 CG LEU A 11 9.192 0.942 -0.337 1.00 0.00 C ATOM 150 CD1 LEU A 11 8.722 1.812 0.836 1.00 0.00 C ATOM 151 CD2 LEU A 11 10.095 1.772 -1.261 1.00 0.00 C ATOM 0 H LEU A 11 10.722 -2.537 0.898 1.00 0.00 H new ATOM 0 HA LEU A 11 8.581 -1.573 -0.822 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.712 -0.452 1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.041 -0.070 0.162 1.00 0.00 H new ATOM 0 HG LEU A 11 8.324 0.593 -0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.171 2.671 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.074 1.226 1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.587 2.158 1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.540 2.632 -1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 11 10.967 2.117 -0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.420 1.157 -2.100 1.00 0.00 H new ATOM 163 N ASP A 12 11.555 -2.001 -2.063 1.00 0.00 N ATOM 164 CA ASP A 12 12.308 -1.970 -3.347 1.00 0.00 C ATOM 165 C ASP A 12 11.887 -3.162 -4.211 1.00 0.00 C ATOM 166 O ASP A 12 12.051 -3.157 -5.415 1.00 0.00 O ATOM 167 CB ASP A 12 13.807 -2.061 -3.056 1.00 0.00 C ATOM 168 CG ASP A 12 14.591 -1.881 -4.357 1.00 0.00 C ATOM 169 OD1 ASP A 12 14.605 -0.775 -4.870 1.00 0.00 O ATOM 170 OD2 ASP A 12 15.164 -2.855 -4.818 1.00 0.00 O ATOM 0 H ASP A 12 12.029 -2.473 -1.293 1.00 0.00 H new ATOM 0 HA ASP A 12 12.093 -1.041 -3.875 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.096 -1.295 -2.336 1.00 0.00 H new ATOM 0 HB3 ASP A 12 14.043 -3.026 -2.607 1.00 0.00 H new ATOM 175 N SER A 13 11.353 -4.188 -3.604 1.00 0.00 N ATOM 176 CA SER A 13 10.930 -5.384 -4.388 1.00 0.00 C ATOM 177 C SER A 13 9.544 -5.152 -5.003 1.00 0.00 C ATOM 178 O SER A 13 9.190 -5.755 -5.995 1.00 0.00 O ATOM 179 CB SER A 13 10.878 -6.601 -3.463 1.00 0.00 C ATOM 180 OG SER A 13 10.896 -7.787 -4.245 1.00 0.00 O ATOM 0 H SER A 13 11.191 -4.249 -2.599 1.00 0.00 H new ATOM 0 HA SER A 13 11.648 -5.557 -5.189 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.727 -6.589 -2.780 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.976 -6.569 -2.851 1.00 0.00 H new ATOM 0 HG SER A 13 10.864 -8.569 -3.655 1.00 0.00 H new ATOM 186 N ILE A 14 8.756 -4.289 -4.420 1.00 0.00 N ATOM 187 CA ILE A 14 7.394 -4.035 -4.977 1.00 0.00 C ATOM 188 C ILE A 14 7.486 -3.095 -6.184 1.00 0.00 C ATOM 189 O ILE A 14 6.496 -2.546 -6.627 1.00 0.00 O ATOM 190 CB ILE A 14 6.506 -3.399 -3.905 1.00 0.00 C ATOM 191 CG1 ILE A 14 7.247 -2.251 -3.209 1.00 0.00 C ATOM 192 CG2 ILE A 14 6.131 -4.456 -2.860 1.00 0.00 C ATOM 193 CD1 ILE A 14 7.458 -1.083 -4.176 1.00 0.00 C ATOM 0 H ILE A 14 8.994 -3.751 -3.587 1.00 0.00 H new ATOM 0 HA ILE A 14 6.961 -4.984 -5.293 1.00 0.00 H new ATOM 0 HB ILE A 14 5.608 -3.008 -4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 14 6.677 -1.915 -2.343 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.210 -2.603 -2.840 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.499 -4.004 -2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.591 -5.270 -3.343 1.00 0.00 H new ATOM 0 HG23 ILE A 14 7.037 -4.847 -2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.985 -0.278 -3.664 1.00 0.00 H new ATOM 0 HD12 ILE A 14 8.048 -1.419 -5.029 1.00 0.00 H new ATOM 0 HD13 ILE A 14 6.491 -0.720 -4.524 1.00 0.00 H new ATOM 205 N GLY A 15 8.664 -2.913 -6.723 1.00 0.00 N ATOM 206 CA GLY A 15 8.829 -2.015 -7.910 1.00 0.00 C ATOM 207 C GLY A 15 7.915 -0.790 -7.786 1.00 0.00 C ATOM 208 O GLY A 15 7.755 -0.227 -6.722 1.00 0.00 O ATOM 0 H GLY A 15 9.524 -3.349 -6.392 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.868 -1.695 -7.990 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.593 -2.562 -8.823 1.00 0.00 H new ATOM 212 N GLU A 16 7.316 -0.371 -8.871 1.00 0.00 N ATOM 213 CA GLU A 16 6.411 0.817 -8.823 1.00 0.00 C ATOM 214 C GLU A 16 5.193 0.562 -9.713 1.00 0.00 C ATOM 215 O GLU A 16 5.245 0.724 -10.916 1.00 0.00 O ATOM 216 CB GLU A 16 7.168 2.055 -9.325 1.00 0.00 C ATOM 217 CG GLU A 16 6.263 3.294 -9.270 1.00 0.00 C ATOM 218 CD GLU A 16 5.633 3.419 -7.882 1.00 0.00 C ATOM 219 OE1 GLU A 16 4.416 3.403 -7.801 1.00 0.00 O ATOM 220 OE2 GLU A 16 6.379 3.526 -6.922 1.00 0.00 O ATOM 0 H GLU A 16 7.415 -0.801 -9.790 1.00 0.00 H new ATOM 0 HA GLU A 16 6.081 0.986 -7.798 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.056 2.218 -8.715 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.509 1.891 -10.347 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.843 4.189 -9.497 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.483 3.219 -10.027 1.00 0.00 H new ATOM 227 N VAL A 17 4.094 0.165 -9.130 1.00 0.00 N ATOM 228 CA VAL A 17 2.870 -0.100 -9.940 1.00 0.00 C ATOM 229 C VAL A 17 2.416 1.207 -10.599 1.00 0.00 C ATOM 230 O VAL A 17 3.062 2.228 -10.469 1.00 0.00 O ATOM 231 CB VAL A 17 1.769 -0.642 -9.015 1.00 0.00 C ATOM 232 CG1 VAL A 17 1.218 0.496 -8.151 1.00 0.00 C ATOM 233 CG2 VAL A 17 0.629 -1.255 -9.844 1.00 0.00 C ATOM 0 H VAL A 17 3.991 0.013 -8.127 1.00 0.00 H new ATOM 0 HA VAL A 17 3.079 -0.836 -10.716 1.00 0.00 H new ATOM 0 HB VAL A 17 2.196 -1.415 -8.375 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.437 0.110 -7.496 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.022 0.917 -7.548 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.802 1.272 -8.794 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.144 -1.635 -9.175 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.202 -0.492 -10.496 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.019 -2.073 -10.450 1.00 0.00 H new ATOM 243 N THR A 18 1.316 1.194 -11.302 1.00 0.00 N ATOM 244 CA THR A 18 0.846 2.448 -11.953 1.00 0.00 C ATOM 245 C THR A 18 0.485 3.456 -10.866 1.00 0.00 C ATOM 246 O THR A 18 -0.224 3.151 -9.930 1.00 0.00 O ATOM 247 CB THR A 18 -0.387 2.141 -12.822 1.00 0.00 C ATOM 248 OG1 THR A 18 -0.799 0.801 -12.595 1.00 0.00 O ATOM 249 CG2 THR A 18 -0.037 2.317 -14.303 1.00 0.00 C ATOM 0 H THR A 18 0.727 0.375 -11.453 1.00 0.00 H new ATOM 0 HA THR A 18 1.630 2.861 -12.588 1.00 0.00 H new ATOM 0 HB THR A 18 -1.192 2.826 -12.558 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.585 0.603 -13.146 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.914 2.098 -14.913 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.282 3.344 -14.482 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.770 1.634 -14.570 1.00 0.00 H new ATOM 257 N LYS A 19 0.959 4.661 -10.989 1.00 0.00 N ATOM 258 CA LYS A 19 0.630 5.689 -9.966 1.00 0.00 C ATOM 259 C LYS A 19 -0.884 5.830 -9.953 1.00 0.00 C ATOM 260 O LYS A 19 -1.533 5.633 -8.945 1.00 0.00 O ATOM 261 CB LYS A 19 1.298 7.028 -10.329 1.00 0.00 C ATOM 262 CG LYS A 19 2.208 6.842 -11.554 1.00 0.00 C ATOM 263 CD LYS A 19 3.380 7.832 -11.496 1.00 0.00 C ATOM 264 CE LYS A 19 4.563 7.184 -10.767 1.00 0.00 C ATOM 265 NZ LYS A 19 5.498 8.246 -10.298 1.00 0.00 N ATOM 0 H LYS A 19 1.558 4.979 -11.751 1.00 0.00 H new ATOM 0 HA LYS A 19 0.996 5.397 -8.982 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.537 7.779 -10.541 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.881 7.395 -9.484 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.586 5.820 -11.584 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.636 6.997 -12.469 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.675 8.121 -12.505 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.075 8.742 -10.979 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.206 6.599 -9.920 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.082 6.496 -11.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.301 7.808 -9.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.848 8.786 -11.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.998 8.886 -9.648 1.00 0.00 H new ATOM 279 N GLU A 20 -1.452 6.130 -11.087 1.00 0.00 N ATOM 280 CA GLU A 20 -2.922 6.238 -11.179 1.00 0.00 C ATOM 281 C GLU A 20 -3.527 5.053 -10.436 1.00 0.00 C ATOM 282 O GLU A 20 -4.544 5.163 -9.791 1.00 0.00 O ATOM 283 CB GLU A 20 -3.339 6.209 -12.647 1.00 0.00 C ATOM 284 CG GLU A 20 -4.837 5.914 -12.764 1.00 0.00 C ATOM 285 CD GLU A 20 -5.211 5.756 -14.239 1.00 0.00 C ATOM 286 OE1 GLU A 20 -5.201 6.752 -14.942 1.00 0.00 O ATOM 287 OE2 GLU A 20 -5.502 4.641 -14.639 1.00 0.00 O ATOM 0 H GLU A 20 -0.951 6.305 -11.958 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.271 7.171 -10.737 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.111 7.166 -13.116 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.768 5.449 -13.180 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.084 5.005 -12.216 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.414 6.723 -12.316 1.00 0.00 H new ATOM 294 N ASP A 21 -2.891 3.916 -10.506 1.00 0.00 N ATOM 295 CA ASP A 21 -3.429 2.735 -9.779 1.00 0.00 C ATOM 296 C ASP A 21 -3.679 3.151 -8.335 1.00 0.00 C ATOM 297 O ASP A 21 -4.680 2.816 -7.739 1.00 0.00 O ATOM 298 CB ASP A 21 -2.420 1.579 -9.831 1.00 0.00 C ATOM 299 CG ASP A 21 -3.149 0.247 -9.643 1.00 0.00 C ATOM 300 OD1 ASP A 21 -4.232 0.104 -10.184 1.00 0.00 O ATOM 301 OD2 ASP A 21 -2.610 -0.609 -8.960 1.00 0.00 O ATOM 0 H ASP A 21 -2.031 3.755 -11.030 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.356 2.394 -10.240 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.895 1.585 -10.786 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.668 1.705 -9.053 1.00 0.00 H new ATOM 306 N LEU A 22 -2.782 3.914 -7.779 1.00 0.00 N ATOM 307 CA LEU A 22 -2.972 4.388 -6.382 1.00 0.00 C ATOM 308 C LEU A 22 -4.066 5.445 -6.386 1.00 0.00 C ATOM 309 O LEU A 22 -4.695 5.722 -5.384 1.00 0.00 O ATOM 310 CB LEU A 22 -1.671 5.000 -5.857 1.00 0.00 C ATOM 311 CG LEU A 22 -0.693 3.886 -5.475 1.00 0.00 C ATOM 312 CD1 LEU A 22 -0.522 2.926 -6.654 1.00 0.00 C ATOM 313 CD2 LEU A 22 0.662 4.504 -5.114 1.00 0.00 C ATOM 0 H LEU A 22 -1.925 4.230 -8.232 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.250 3.554 -5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.227 5.642 -6.618 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.877 5.629 -4.991 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.083 3.336 -4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.175 2.134 -6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.487 2.488 -6.910 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.132 3.471 -7.513 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.361 3.714 -4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.051 5.053 -5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.538 5.185 -4.272 1.00 0.00 H new ATOM 325 N LEU A 23 -4.292 6.035 -7.520 1.00 0.00 N ATOM 326 CA LEU A 23 -5.336 7.079 -7.635 1.00 0.00 C ATOM 327 C LEU A 23 -6.707 6.406 -7.750 1.00 0.00 C ATOM 328 O LEU A 23 -7.611 6.714 -6.997 1.00 0.00 O ATOM 329 CB LEU A 23 -5.022 7.926 -8.872 1.00 0.00 C ATOM 330 CG LEU A 23 -3.574 8.446 -8.777 1.00 0.00 C ATOM 331 CD1 LEU A 23 -3.330 9.496 -9.872 1.00 0.00 C ATOM 332 CD2 LEU A 23 -3.335 9.089 -7.405 1.00 0.00 C ATOM 0 H LEU A 23 -3.789 5.834 -8.385 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.352 7.724 -6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.149 7.331 -9.776 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.718 8.762 -8.941 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.890 7.608 -8.909 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.306 9.862 -9.803 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.489 9.044 -10.851 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.022 10.327 -9.740 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.309 9.453 -7.348 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.024 9.922 -7.269 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.501 8.349 -6.622 1.00 0.00 H new ATOM 344 N LEU A 24 -6.879 5.468 -8.646 1.00 0.00 N ATOM 345 CA LEU A 24 -8.202 4.796 -8.719 1.00 0.00 C ATOM 346 C LEU A 24 -8.399 4.032 -7.425 1.00 0.00 C ATOM 347 O LEU A 24 -9.448 4.085 -6.838 1.00 0.00 O ATOM 348 CB LEU A 24 -8.296 3.837 -9.910 1.00 0.00 C ATOM 349 CG LEU A 24 -7.281 2.688 -9.786 1.00 0.00 C ATOM 350 CD1 LEU A 24 -7.959 1.451 -9.185 1.00 0.00 C ATOM 351 CD2 LEU A 24 -6.756 2.328 -11.179 1.00 0.00 C ATOM 0 H LEU A 24 -6.177 5.147 -9.313 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.978 5.548 -8.858 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.305 3.429 -9.972 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.117 4.385 -10.835 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.462 3.006 -9.141 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.233 0.643 -9.101 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.348 1.694 -8.196 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.779 1.136 -9.830 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.036 1.514 -11.097 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.587 2.015 -11.811 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.271 3.198 -11.621 1.00 0.00 H new ATOM 363 N LYS A 25 -7.390 3.343 -6.951 1.00 0.00 N ATOM 364 CA LYS A 25 -7.554 2.614 -5.666 1.00 0.00 C ATOM 365 C LYS A 25 -8.166 3.594 -4.667 1.00 0.00 C ATOM 366 O LYS A 25 -9.084 3.275 -3.938 1.00 0.00 O ATOM 367 CB LYS A 25 -6.189 2.127 -5.174 1.00 0.00 C ATOM 368 CG LYS A 25 -5.758 0.907 -5.998 1.00 0.00 C ATOM 369 CD LYS A 25 -4.265 0.643 -5.788 1.00 0.00 C ATOM 370 CE LYS A 25 -3.937 -0.797 -6.192 1.00 0.00 C ATOM 371 NZ LYS A 25 -2.493 -1.066 -5.942 1.00 0.00 N ATOM 0 H LYS A 25 -6.475 3.257 -7.394 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.198 1.743 -5.785 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.451 2.923 -5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.243 1.866 -4.117 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.337 0.033 -5.701 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.961 1.080 -7.055 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.675 1.341 -6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.999 0.808 -4.744 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.552 -1.495 -5.623 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.170 -0.953 -7.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.114 -1.663 -6.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.972 -0.166 -5.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.384 -1.556 -5.031 1.00 0.00 H new ATOM 385 N SER A 26 -7.680 4.806 -4.668 1.00 0.00 N ATOM 386 CA SER A 26 -8.235 5.849 -3.770 1.00 0.00 C ATOM 387 C SER A 26 -9.649 6.191 -4.251 1.00 0.00 C ATOM 388 O SER A 26 -10.243 7.161 -3.824 1.00 0.00 O ATOM 389 CB SER A 26 -7.355 7.104 -3.859 1.00 0.00 C ATOM 390 OG SER A 26 -7.540 7.894 -2.691 1.00 0.00 O ATOM 0 H SER A 26 -6.912 5.118 -5.262 1.00 0.00 H new ATOM 0 HA SER A 26 -8.261 5.493 -2.740 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.307 6.821 -3.958 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.614 7.681 -4.747 1.00 0.00 H new ATOM 0 HG SER A 26 -8.498 8.030 -2.537 1.00 0.00 H new ATOM 396 N LYS A 27 -10.180 5.416 -5.166 1.00 0.00 N ATOM 397 CA LYS A 27 -11.537 5.718 -5.700 1.00 0.00 C ATOM 398 C LYS A 27 -12.510 5.966 -4.546 1.00 0.00 C ATOM 399 O LYS A 27 -13.210 6.960 -4.533 1.00 0.00 O ATOM 400 CB LYS A 27 -12.046 4.571 -6.591 1.00 0.00 C ATOM 401 CG LYS A 27 -11.656 3.201 -6.011 1.00 0.00 C ATOM 402 CD LYS A 27 -12.793 2.203 -6.238 1.00 0.00 C ATOM 403 CE LYS A 27 -12.965 1.975 -7.741 1.00 0.00 C ATOM 404 NZ LYS A 27 -14.048 0.978 -7.972 1.00 0.00 N ATOM 0 H LYS A 27 -9.731 4.591 -5.563 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.473 6.618 -6.312 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -13.130 4.634 -6.685 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.632 4.675 -7.594 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.743 2.841 -6.485 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.447 3.293 -4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.572 1.260 -5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.719 2.583 -5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.209 2.915 -8.236 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.030 1.620 -8.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.165 0.823 -8.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.797 0.080 -7.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.939 1.335 -7.572 1.00 0.00 H new ATOM 418 N GLY A 28 -12.560 5.099 -3.562 1.00 0.00 N ATOM 419 CA GLY A 28 -13.485 5.345 -2.426 1.00 0.00 C ATOM 420 C GLY A 28 -14.171 4.059 -1.998 1.00 0.00 C ATOM 421 O GLY A 28 -15.122 4.092 -1.251 1.00 0.00 O ATOM 0 H GLY A 28 -12.006 4.245 -3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.932 5.764 -1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.234 6.083 -2.714 1.00 0.00 H new ATOM 425 N THR A 29 -13.723 2.925 -2.458 1.00 0.00 N ATOM 426 CA THR A 29 -14.409 1.673 -2.044 1.00 0.00 C ATOM 427 C THR A 29 -13.496 0.446 -2.200 1.00 0.00 C ATOM 428 O THR A 29 -12.801 0.293 -3.186 1.00 0.00 O ATOM 429 CB THR A 29 -15.643 1.489 -2.923 1.00 0.00 C ATOM 430 OG1 THR A 29 -15.282 1.668 -4.286 1.00 0.00 O ATOM 431 CG2 THR A 29 -16.730 2.500 -2.545 1.00 0.00 C ATOM 0 H THR A 29 -12.929 2.812 -3.089 1.00 0.00 H new ATOM 0 HA THR A 29 -14.681 1.757 -0.992 1.00 0.00 H new ATOM 0 HB THR A 29 -16.035 0.483 -2.772 1.00 0.00 H new ATOM 0 HG1 THR A 29 -16.073 1.549 -4.852 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.602 2.353 -3.183 1.00 0.00 H new ATOM 0 HG22 THR A 29 -17.015 2.356 -1.503 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.348 3.512 -2.680 1.00 0.00 H new ATOM 439 N CYS A 30 -13.535 -0.453 -1.245 1.00 0.00 N ATOM 440 CA CYS A 30 -12.718 -1.706 -1.339 1.00 0.00 C ATOM 441 C CYS A 30 -13.118 -2.419 -2.633 1.00 0.00 C ATOM 442 O CYS A 30 -14.269 -2.397 -3.021 1.00 0.00 O ATOM 443 CB CYS A 30 -13.020 -2.618 -0.138 1.00 0.00 C ATOM 444 SG CYS A 30 -12.034 -4.138 -0.259 1.00 0.00 S ATOM 0 H CYS A 30 -14.101 -0.372 -0.400 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.654 -1.470 -1.337 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.791 -2.098 0.792 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -14.082 -2.863 -0.113 1.00 0.00 H new ATOM 0 HG CYS A 30 -12.660 -5.110 0.336 1.00 0.00 H new ATOM 449 N GLN A 31 -12.196 -3.033 -3.318 1.00 0.00 N ATOM 450 CA GLN A 31 -12.574 -3.713 -4.591 1.00 0.00 C ATOM 451 C GLN A 31 -13.244 -5.057 -4.303 1.00 0.00 C ATOM 452 O GLN A 31 -13.892 -5.627 -5.160 1.00 0.00 O ATOM 453 CB GLN A 31 -11.339 -3.933 -5.468 1.00 0.00 C ATOM 454 CG GLN A 31 -10.225 -4.619 -4.671 1.00 0.00 C ATOM 455 CD GLN A 31 -10.585 -6.087 -4.435 1.00 0.00 C ATOM 456 OE1 GLN A 31 -10.313 -6.628 -3.382 1.00 0.00 O ATOM 457 NE2 GLN A 31 -11.186 -6.759 -5.378 1.00 0.00 N ATOM 0 H GLN A 31 -11.211 -3.095 -3.059 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.278 -3.072 -5.121 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.604 -4.543 -6.332 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -10.983 -2.976 -5.851 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.282 -4.549 -5.213 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.083 -4.112 -3.717 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.414 -6.304 -6.262 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.428 -7.739 -5.231 1.00 0.00 H new ATOM 466 N SER A 32 -13.099 -5.575 -3.112 1.00 0.00 N ATOM 467 CA SER A 32 -13.736 -6.887 -2.786 1.00 0.00 C ATOM 468 C SER A 32 -14.832 -6.690 -1.735 1.00 0.00 C ATOM 469 O SER A 32 -15.619 -7.580 -1.479 1.00 0.00 O ATOM 470 CB SER A 32 -12.677 -7.848 -2.248 1.00 0.00 C ATOM 471 OG SER A 32 -11.896 -8.337 -3.330 1.00 0.00 O ATOM 0 H SER A 32 -12.569 -5.149 -2.352 1.00 0.00 H new ATOM 0 HA SER A 32 -14.181 -7.303 -3.690 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.040 -7.338 -1.525 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.153 -8.677 -1.724 1.00 0.00 H new ATOM 0 HG SER A 32 -10.959 -8.080 -3.200 1.00 0.00 H new ATOM 477 N CYS A 33 -14.893 -5.534 -1.122 1.00 0.00 N ATOM 478 CA CYS A 33 -15.944 -5.290 -0.086 1.00 0.00 C ATOM 479 C CYS A 33 -16.722 -4.017 -0.419 1.00 0.00 C ATOM 480 O CYS A 33 -17.828 -3.821 0.044 1.00 0.00 O ATOM 481 CB CYS A 33 -15.290 -5.129 1.289 1.00 0.00 C ATOM 482 SG CYS A 33 -14.203 -6.531 1.612 1.00 0.00 S ATOM 0 H CYS A 33 -14.263 -4.751 -1.293 1.00 0.00 H new ATOM 0 HA CYS A 33 -16.626 -6.141 -0.072 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -14.722 -4.200 1.326 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -16.056 -5.065 2.062 1.00 0.00 H new ATOM 0 HG CYS A 33 -14.056 -6.680 2.895 1.00 0.00 H new ATOM 487 N GLY A 34 -16.158 -3.139 -1.204 1.00 0.00 N ATOM 488 CA GLY A 34 -16.884 -1.880 -1.532 1.00 0.00 C ATOM 489 C GLY A 34 -17.356 -1.236 -0.227 1.00 0.00 C ATOM 490 O GLY A 34 -18.535 -1.163 0.054 1.00 0.00 O ATOM 0 H GLY A 34 -15.236 -3.238 -1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.231 -1.198 -2.076 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.735 -2.091 -2.179 1.00 0.00 H new ATOM 494 N VAL A 35 -16.432 -0.809 0.591 1.00 0.00 N ATOM 495 CA VAL A 35 -16.800 -0.211 1.910 1.00 0.00 C ATOM 496 C VAL A 35 -16.754 1.323 1.879 1.00 0.00 C ATOM 497 O VAL A 35 -17.690 1.971 2.301 1.00 0.00 O ATOM 498 CB VAL A 35 -15.822 -0.735 2.965 1.00 0.00 C ATOM 499 CG1 VAL A 35 -15.876 -2.268 2.979 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.403 -0.274 2.616 1.00 0.00 C ATOM 0 H VAL A 35 -15.430 -0.848 0.402 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.824 -0.498 2.149 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.095 -0.349 3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.182 -2.650 3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -16.887 -2.594 3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.597 -2.651 1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.705 -0.646 3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.125 -0.663 1.637 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.369 0.815 2.597 1.00 0.00 H new ATOM 510 N THR A 36 -15.684 1.918 1.408 1.00 0.00 N ATOM 511 CA THR A 36 -15.608 3.411 1.391 1.00 0.00 C ATOM 512 C THR A 36 -14.163 3.832 1.128 1.00 0.00 C ATOM 513 O THR A 36 -13.304 3.008 0.905 1.00 0.00 O ATOM 514 CB THR A 36 -16.053 3.985 2.743 1.00 0.00 C ATOM 515 OG1 THR A 36 -15.672 5.351 2.817 1.00 0.00 O ATOM 516 CG2 THR A 36 -15.388 3.213 3.886 1.00 0.00 C ATOM 0 H THR A 36 -14.865 1.436 1.037 1.00 0.00 H new ATOM 0 HA THR A 36 -16.265 3.790 0.609 1.00 0.00 H new ATOM 0 HB THR A 36 -17.135 3.894 2.833 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.955 5.723 3.678 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.710 3.628 4.841 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.675 2.163 3.831 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.305 3.298 3.800 1.00 0.00 H new ATOM 524 N GLY A 37 -13.892 5.111 1.150 1.00 0.00 N ATOM 525 CA GLY A 37 -12.506 5.598 0.896 1.00 0.00 C ATOM 526 C GLY A 37 -11.734 5.724 2.205 1.00 0.00 C ATOM 527 O GLY A 37 -10.761 5.034 2.428 1.00 0.00 O ATOM 0 H GLY A 37 -14.577 5.843 1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.989 4.909 0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.541 6.565 0.393 1.00 0.00 H new ATOM 531 N PRO A 38 -12.140 6.612 3.066 1.00 0.00 N ATOM 532 CA PRO A 38 -11.448 6.817 4.351 1.00 0.00 C ATOM 533 C PRO A 38 -11.075 5.495 5.015 1.00 0.00 C ATOM 534 O PRO A 38 -11.894 4.616 5.204 1.00 0.00 O ATOM 535 CB PRO A 38 -12.438 7.599 5.218 1.00 0.00 C ATOM 536 CG PRO A 38 -13.654 7.853 4.367 1.00 0.00 C ATOM 537 CD PRO A 38 -13.282 7.515 2.920 1.00 0.00 C ATOM 0 HA PRO A 38 -10.508 7.351 4.211 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.702 7.032 6.111 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.999 8.538 5.555 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.491 7.239 4.701 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.969 8.893 4.449 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -14.108 7.036 2.394 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.018 8.408 2.354 1.00 0.00 H new ATOM 545 N ASN A 39 -9.840 5.367 5.371 1.00 0.00 N ATOM 546 CA ASN A 39 -9.355 4.128 6.035 1.00 0.00 C ATOM 547 C ASN A 39 -9.202 2.990 5.021 1.00 0.00 C ATOM 548 O ASN A 39 -9.232 1.831 5.382 1.00 0.00 O ATOM 549 CB ASN A 39 -10.340 3.702 7.136 1.00 0.00 C ATOM 550 CG ASN A 39 -9.566 3.246 8.376 1.00 0.00 C ATOM 551 OD1 ASN A 39 -9.109 2.122 8.443 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.399 4.078 9.368 1.00 0.00 N ATOM 0 H ASN A 39 -9.126 6.081 5.229 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.381 4.338 6.476 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.996 4.534 7.391 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.976 2.893 6.775 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.885 3.785 10.199 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.782 5.022 9.312 1.00 0.00 H new ATOM 559 N LEU A 40 -9.017 3.290 3.763 1.00 0.00 N ATOM 560 CA LEU A 40 -8.841 2.184 2.775 1.00 0.00 C ATOM 561 C LEU A 40 -7.385 1.716 2.834 1.00 0.00 C ATOM 562 O LEU A 40 -6.543 2.344 3.439 1.00 0.00 O ATOM 563 CB LEU A 40 -9.156 2.655 1.343 1.00 0.00 C ATOM 564 CG LEU A 40 -10.653 2.523 1.005 1.00 0.00 C ATOM 565 CD1 LEU A 40 -10.834 2.778 -0.494 1.00 0.00 C ATOM 566 CD2 LEU A 40 -11.166 1.112 1.331 1.00 0.00 C ATOM 0 H LEU A 40 -8.980 4.235 3.381 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.528 1.375 3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.849 3.695 1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.572 2.070 0.633 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.216 3.244 1.598 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.889 2.689 -0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.484 3.781 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.258 2.046 -1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.225 1.044 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.609 0.379 0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.028 0.911 2.393 1.00 0.00 H new ATOM 578 N TRP A 41 -7.087 0.615 2.210 1.00 0.00 N ATOM 579 CA TRP A 41 -5.686 0.091 2.221 1.00 0.00 C ATOM 580 C TRP A 41 -5.494 -0.806 1.006 1.00 0.00 C ATOM 581 O TRP A 41 -5.857 -1.967 1.016 1.00 0.00 O ATOM 582 CB TRP A 41 -5.428 -0.727 3.492 1.00 0.00 C ATOM 583 CG TRP A 41 -5.727 0.098 4.701 1.00 0.00 C ATOM 584 CD1 TRP A 41 -6.967 0.395 5.140 1.00 0.00 C ATOM 585 CD2 TRP A 41 -4.800 0.725 5.638 1.00 0.00 C ATOM 586 NE1 TRP A 41 -6.866 1.174 6.278 1.00 0.00 N ATOM 587 CE2 TRP A 41 -5.553 1.403 6.627 1.00 0.00 C ATOM 588 CE3 TRP A 41 -3.397 0.775 5.724 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -4.937 2.104 7.664 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -2.775 1.481 6.769 1.00 0.00 C ATOM 591 CH2 TRP A 41 -3.543 2.143 7.735 1.00 0.00 C ATOM 0 H TRP A 41 -7.754 0.048 1.688 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.989 0.929 2.196 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.049 -1.623 3.490 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.390 -1.059 3.516 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.889 0.076 4.678 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.667 1.535 6.796 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.795 0.269 4.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.534 2.613 8.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.697 1.513 6.827 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.057 2.683 8.534 1.00 0.00 H new ATOM 602 N ALA A 42 -4.947 -0.279 -0.050 1.00 0.00 N ATOM 603 CA ALA A 42 -4.758 -1.100 -1.274 1.00 0.00 C ATOM 604 C ALA A 42 -3.378 -1.745 -1.288 1.00 0.00 C ATOM 605 O ALA A 42 -2.392 -1.158 -0.891 1.00 0.00 O ATOM 606 CB ALA A 42 -4.899 -0.208 -2.502 1.00 0.00 C ATOM 0 H ALA A 42 -4.622 0.686 -0.119 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.513 -1.886 -1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.761 -0.805 -3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.892 0.242 -2.513 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.145 0.578 -2.469 1.00 0.00 H new ATOM 612 N CYS A 43 -3.307 -2.950 -1.777 1.00 0.00 N ATOM 613 CA CYS A 43 -2.000 -3.649 -1.864 1.00 0.00 C ATOM 614 C CYS A 43 -1.069 -2.814 -2.741 1.00 0.00 C ATOM 615 O CYS A 43 -1.517 -2.080 -3.598 1.00 0.00 O ATOM 616 CB CYS A 43 -2.209 -5.025 -2.489 1.00 0.00 C ATOM 617 SG CYS A 43 -0.877 -6.131 -1.974 1.00 0.00 S ATOM 0 H CYS A 43 -4.105 -3.483 -2.122 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.563 -3.773 -0.873 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.173 -5.432 -2.183 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.228 -4.943 -3.576 1.00 0.00 H new ATOM 0 HG CYS A 43 -1.358 -7.320 -1.762 1.00 0.00 H new ATOM 622 N LEU A 44 0.217 -2.895 -2.531 1.00 0.00 N ATOM 623 CA LEU A 44 1.146 -2.072 -3.358 1.00 0.00 C ATOM 624 C LEU A 44 2.308 -2.918 -3.893 1.00 0.00 C ATOM 625 O LEU A 44 3.442 -2.486 -3.885 1.00 0.00 O ATOM 626 CB LEU A 44 1.698 -0.933 -2.498 1.00 0.00 C ATOM 627 CG LEU A 44 2.401 0.102 -3.394 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.383 1.129 -3.900 1.00 0.00 C ATOM 629 CD2 LEU A 44 3.490 0.823 -2.594 1.00 0.00 C ATOM 0 H LEU A 44 0.661 -3.489 -1.830 1.00 0.00 H new ATOM 0 HA LEU A 44 0.596 -1.673 -4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.888 -0.458 -1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.399 -1.327 -1.762 1.00 0.00 H new ATOM 0 HG LEU A 44 2.851 -0.412 -4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.887 1.859 -4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.609 0.621 -4.476 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.928 1.639 -3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.986 1.555 -3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.039 1.331 -1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.221 0.097 -2.239 1.00 0.00 H new ATOM 641 N GLN A 45 2.050 -4.106 -4.378 1.00 0.00 N ATOM 642 CA GLN A 45 3.170 -4.927 -4.929 1.00 0.00 C ATOM 643 C GLN A 45 3.268 -4.682 -6.438 1.00 0.00 C ATOM 644 O GLN A 45 2.271 -4.545 -7.120 1.00 0.00 O ATOM 645 CB GLN A 45 2.937 -6.421 -4.659 1.00 0.00 C ATOM 646 CG GLN A 45 1.991 -6.596 -3.473 1.00 0.00 C ATOM 647 CD GLN A 45 2.765 -6.386 -2.171 1.00 0.00 C ATOM 648 OE1 GLN A 45 2.564 -5.301 -1.474 1.00 0.00 O flip ATOM 649 NE2 GLN A 45 3.562 -7.217 -1.783 1.00 0.00 N flip ATOM 0 H GLN A 45 1.127 -4.538 -4.416 1.00 0.00 H new ATOM 0 HA GLN A 45 4.099 -4.635 -4.440 1.00 0.00 H new ATOM 0 HB2 GLN A 45 2.516 -6.898 -5.544 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.887 -6.914 -4.453 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.170 -5.882 -3.540 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.549 -7.592 -3.490 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.720 -8.065 -2.327 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.073 -7.066 -0.913 1.00 0.00 H new ATOM 658 N VAL A 46 4.463 -4.606 -6.958 1.00 0.00 N ATOM 659 CA VAL A 46 4.638 -4.351 -8.421 1.00 0.00 C ATOM 660 C VAL A 46 3.679 -5.219 -9.247 1.00 0.00 C ATOM 661 O VAL A 46 3.549 -5.030 -10.440 1.00 0.00 O ATOM 662 CB VAL A 46 6.080 -4.671 -8.831 1.00 0.00 C ATOM 663 CG1 VAL A 46 6.482 -6.043 -8.286 1.00 0.00 C ATOM 664 CG2 VAL A 46 6.191 -4.680 -10.360 1.00 0.00 C ATOM 0 H VAL A 46 5.331 -4.710 -6.432 1.00 0.00 H new ATOM 0 HA VAL A 46 4.417 -3.301 -8.613 1.00 0.00 H new ATOM 0 HB VAL A 46 6.744 -3.910 -8.421 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.508 -6.265 -8.580 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.410 -6.038 -7.198 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.815 -6.805 -8.690 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.217 -4.908 -10.649 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.522 -5.437 -10.769 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.913 -3.701 -10.751 1.00 0.00 H new ATOM 674 N ALA A 47 3.013 -6.171 -8.645 1.00 0.00 N ATOM 675 CA ALA A 47 2.087 -7.032 -9.442 1.00 0.00 C ATOM 676 C ALA A 47 0.826 -7.365 -8.640 1.00 0.00 C ATOM 677 O ALA A 47 0.373 -8.492 -8.632 1.00 0.00 O ATOM 678 CB ALA A 47 2.804 -8.332 -9.815 1.00 0.00 C ATOM 0 H ALA A 47 3.068 -6.388 -7.650 1.00 0.00 H new ATOM 0 HA ALA A 47 1.795 -6.490 -10.341 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.133 -8.964 -10.397 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.690 -8.102 -10.407 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.101 -8.857 -8.907 1.00 0.00 H new ATOM 684 N CYS A 48 0.243 -6.403 -7.974 1.00 0.00 N ATOM 685 CA CYS A 48 -0.996 -6.695 -7.195 1.00 0.00 C ATOM 686 C CYS A 48 -1.912 -5.470 -7.168 1.00 0.00 C ATOM 687 O CYS A 48 -1.932 -4.726 -6.206 1.00 0.00 O ATOM 688 CB CYS A 48 -0.628 -7.069 -5.762 1.00 0.00 C ATOM 689 SG CYS A 48 -2.029 -7.928 -5.006 1.00 0.00 S ATOM 0 H CYS A 48 0.567 -5.437 -7.936 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.517 -7.524 -7.674 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.255 -7.707 -5.754 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.380 -6.175 -5.190 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.078 -7.645 -3.738 1.00 0.00 H new ATOM 694 N PRO A 49 -2.681 -5.267 -8.203 1.00 0.00 N ATOM 695 CA PRO A 49 -3.627 -4.127 -8.281 1.00 0.00 C ATOM 696 C PRO A 49 -4.983 -4.469 -7.651 1.00 0.00 C ATOM 697 O PRO A 49 -5.811 -5.118 -8.257 1.00 0.00 O ATOM 698 CB PRO A 49 -3.770 -3.910 -9.786 1.00 0.00 C ATOM 699 CG PRO A 49 -3.587 -5.269 -10.397 1.00 0.00 C ATOM 700 CD PRO A 49 -2.732 -6.094 -9.418 1.00 0.00 C ATOM 0 HA PRO A 49 -3.275 -3.248 -7.741 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.747 -3.495 -10.033 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.023 -3.208 -10.156 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.551 -5.749 -10.565 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.096 -5.192 -11.367 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.181 -7.067 -9.219 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.735 -6.278 -9.817 1.00 0.00 H new ATOM 708 N TYR A 50 -5.214 -4.025 -6.444 1.00 0.00 N ATOM 709 CA TYR A 50 -6.510 -4.309 -5.760 1.00 0.00 C ATOM 710 C TYR A 50 -6.605 -3.420 -4.520 1.00 0.00 C ATOM 711 O TYR A 50 -5.669 -3.323 -3.752 1.00 0.00 O ATOM 712 CB TYR A 50 -6.557 -5.778 -5.325 1.00 0.00 C ATOM 713 CG TYR A 50 -6.715 -6.671 -6.534 1.00 0.00 C ATOM 714 CD1 TYR A 50 -7.939 -6.728 -7.210 1.00 0.00 C ATOM 715 CD2 TYR A 50 -5.633 -7.441 -6.981 1.00 0.00 C ATOM 716 CE1 TYR A 50 -8.084 -7.554 -8.331 1.00 0.00 C ATOM 717 CE2 TYR A 50 -5.777 -8.267 -8.102 1.00 0.00 C ATOM 718 CZ TYR A 50 -7.003 -8.324 -8.776 1.00 0.00 C ATOM 719 OH TYR A 50 -7.144 -9.140 -9.881 1.00 0.00 O ATOM 0 H TYR A 50 -4.554 -3.472 -5.897 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.338 -4.110 -6.440 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.644 -6.036 -4.789 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.387 -5.935 -4.636 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -8.773 -6.134 -6.866 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.688 -7.397 -6.461 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -9.029 -7.597 -8.852 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.943 -8.860 -8.447 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.298 -9.604 -10.055 1.00 0.00 H new ATOM 729 N VAL A 51 -7.718 -2.764 -4.311 1.00 0.00 N ATOM 730 CA VAL A 51 -7.838 -1.882 -3.113 1.00 0.00 C ATOM 731 C VAL A 51 -8.661 -2.578 -2.027 1.00 0.00 C ATOM 732 O VAL A 51 -9.860 -2.728 -2.131 1.00 0.00 O ATOM 733 CB VAL A 51 -8.477 -0.550 -3.511 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.646 -0.799 -4.463 1.00 0.00 C ATOM 735 CG2 VAL A 51 -8.966 0.188 -2.262 1.00 0.00 C ATOM 0 H VAL A 51 -8.541 -2.800 -4.912 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.844 -1.683 -2.712 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.733 0.065 -4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.097 0.153 -4.743 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.285 -1.306 -5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.391 -1.422 -3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.420 1.135 -2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.704 -0.424 -1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.123 0.379 -1.598 1.00 0.00 H new ATOM 745 N GLY A 52 -8.007 -3.012 -0.984 1.00 0.00 N ATOM 746 CA GLY A 52 -8.719 -3.722 0.116 1.00 0.00 C ATOM 747 C GLY A 52 -9.233 -2.734 1.168 1.00 0.00 C ATOM 748 O GLY A 52 -9.156 -1.534 1.006 1.00 0.00 O ATOM 0 H GLY A 52 -7.002 -2.904 -0.846 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.555 -4.289 -0.294 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.046 -4.440 0.585 1.00 0.00 H new ATOM 752 N CYS A 53 -9.770 -3.251 2.244 1.00 0.00 N ATOM 753 CA CYS A 53 -10.318 -2.385 3.328 1.00 0.00 C ATOM 754 C CYS A 53 -9.327 -2.264 4.469 1.00 0.00 C ATOM 755 O CYS A 53 -8.334 -2.958 4.551 1.00 0.00 O ATOM 756 CB CYS A 53 -11.565 -3.032 3.956 1.00 0.00 C ATOM 757 SG CYS A 53 -11.591 -4.806 3.592 1.00 0.00 S ATOM 0 H CYS A 53 -9.852 -4.253 2.418 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.539 -1.419 2.873 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.563 -2.873 5.034 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.466 -2.559 3.566 1.00 0.00 H new ATOM 0 HG CYS A 53 -12.629 -5.084 2.861 1.00 0.00 H new ATOM 762 N GLY A 54 -9.683 -1.432 5.393 1.00 0.00 N ATOM 763 CA GLY A 54 -8.901 -1.266 6.635 1.00 0.00 C ATOM 764 C GLY A 54 -9.861 -1.683 7.729 1.00 0.00 C ATOM 765 O GLY A 54 -11.052 -1.704 7.502 1.00 0.00 O ATOM 0 H GLY A 54 -10.512 -0.840 5.336 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.006 -1.889 6.630 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.571 -0.235 6.765 1.00 0.00 H new ATOM 769 N GLU A 55 -9.400 -2.036 8.889 1.00 0.00 N ATOM 770 CA GLU A 55 -10.360 -2.457 9.957 1.00 0.00 C ATOM 771 C GLU A 55 -11.710 -1.811 9.699 1.00 0.00 C ATOM 772 O GLU A 55 -12.747 -2.414 9.882 1.00 0.00 O ATOM 773 CB GLU A 55 -9.853 -2.007 11.316 1.00 0.00 C ATOM 774 CG GLU A 55 -9.908 -0.478 11.411 1.00 0.00 C ATOM 775 CD GLU A 55 -9.059 -0.008 12.593 1.00 0.00 C ATOM 776 OE1 GLU A 55 -9.479 0.918 13.267 1.00 0.00 O ATOM 777 OE2 GLU A 55 -8.004 -0.583 12.805 1.00 0.00 O ATOM 0 H GLU A 55 -8.414 -2.054 9.150 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.454 -3.543 9.945 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.459 -2.452 12.106 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.830 -2.353 11.466 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.541 -0.032 10.486 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.939 -0.148 11.537 1.00 0.00 H new ATOM 784 N SER A 56 -11.682 -0.594 9.241 1.00 0.00 N ATOM 785 CA SER A 56 -12.942 0.122 8.911 1.00 0.00 C ATOM 786 C SER A 56 -13.997 -0.912 8.518 1.00 0.00 C ATOM 787 O SER A 56 -15.133 -0.854 8.947 1.00 0.00 O ATOM 788 CB SER A 56 -12.670 1.062 7.736 1.00 0.00 C ATOM 789 OG SER A 56 -12.646 2.403 8.205 1.00 0.00 O ATOM 0 H SER A 56 -10.829 -0.058 9.079 1.00 0.00 H new ATOM 0 HA SER A 56 -13.298 0.699 9.764 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.718 0.811 7.267 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.441 0.944 6.975 1.00 0.00 H new ATOM 0 HG SER A 56 -12.947 3.004 7.492 1.00 0.00 H new ATOM 795 N PHE A 57 -13.609 -1.876 7.721 1.00 0.00 N ATOM 796 CA PHE A 57 -14.568 -2.946 7.314 1.00 0.00 C ATOM 797 C PHE A 57 -14.061 -4.293 7.815 1.00 0.00 C ATOM 798 O PHE A 57 -14.320 -4.699 8.932 1.00 0.00 O ATOM 799 CB PHE A 57 -14.680 -3.007 5.797 1.00 0.00 C ATOM 800 CG PHE A 57 -15.610 -4.137 5.415 1.00 0.00 C ATOM 801 CD1 PHE A 57 -15.122 -5.242 4.707 1.00 0.00 C ATOM 802 CD2 PHE A 57 -16.962 -4.080 5.775 1.00 0.00 C ATOM 803 CE1 PHE A 57 -15.985 -6.287 4.359 1.00 0.00 C ATOM 804 CE2 PHE A 57 -17.825 -5.126 5.426 1.00 0.00 C ATOM 805 CZ PHE A 57 -17.336 -6.229 4.718 1.00 0.00 C ATOM 0 H PHE A 57 -12.669 -1.967 7.335 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.545 -2.721 7.742 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -15.058 -2.061 5.409 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.697 -3.163 5.353 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -14.079 -5.288 4.429 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.339 -3.229 6.322 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.608 -7.139 3.813 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -18.868 -5.081 5.703 1.00 0.00 H new ATOM 0 HZ PHE A 57 -18.001 -7.036 4.449 1.00 0.00 H new ATOM 815 N ALA A 58 -13.332 -4.980 6.985 1.00 0.00 N ATOM 816 CA ALA A 58 -12.777 -6.311 7.374 1.00 0.00 C ATOM 817 C ALA A 58 -11.254 -6.242 7.293 1.00 0.00 C ATOM 818 O ALA A 58 -10.554 -7.190 7.591 1.00 0.00 O ATOM 819 CB ALA A 58 -13.292 -7.384 6.410 1.00 0.00 C ATOM 0 H ALA A 58 -13.092 -4.676 6.041 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.088 -6.564 8.387 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.886 -8.355 6.695 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.381 -7.419 6.453 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.976 -7.143 5.395 1.00 0.00 H new ATOM 825 N ASP A 59 -10.745 -5.114 6.890 1.00 0.00 N ATOM 826 CA ASP A 59 -9.273 -4.941 6.779 1.00 0.00 C ATOM 827 C ASP A 59 -8.669 -6.030 5.894 1.00 0.00 C ATOM 828 O ASP A 59 -7.859 -6.816 6.343 1.00 0.00 O ATOM 829 CB ASP A 59 -8.629 -5.004 8.166 1.00 0.00 C ATOM 830 CG ASP A 59 -7.113 -4.863 8.030 1.00 0.00 C ATOM 831 OD1 ASP A 59 -6.445 -5.878 7.992 1.00 0.00 O ATOM 832 OD2 ASP A 59 -6.647 -3.737 7.967 1.00 0.00 O ATOM 0 H ASP A 59 -11.294 -4.294 6.630 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.078 -3.967 6.330 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.024 -4.209 8.799 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.875 -5.949 8.651 1.00 0.00 H new ATOM 837 N HIS A 60 -9.022 -6.074 4.632 1.00 0.00 N ATOM 838 CA HIS A 60 -8.412 -7.105 3.742 1.00 0.00 C ATOM 839 C HIS A 60 -6.907 -7.065 3.989 1.00 0.00 C ATOM 840 O HIS A 60 -6.191 -8.010 3.757 1.00 0.00 O ATOM 841 CB HIS A 60 -8.693 -6.763 2.268 1.00 0.00 C ATOM 842 CG HIS A 60 -9.711 -7.710 1.688 1.00 0.00 C ATOM 843 ND1 HIS A 60 -9.662 -9.060 1.448 1.00 0.00 N flip ATOM 844 CD2 HIS A 60 -10.975 -7.292 1.269 1.00 0.00 C flip ATOM 845 CE1 HIS A 60 -10.862 -9.478 0.894 1.00 0.00 C flip ATOM 846 NE2 HIS A 60 -11.618 -8.383 0.809 1.00 0.00 N flip ATOM 0 H HIS A 60 -9.695 -5.450 4.187 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.827 -8.091 3.951 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.056 -5.738 2.190 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -7.768 -6.818 1.694 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -11.364 -6.285 1.306 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -11.129 -10.481 0.594 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -12.569 -8.373 0.440 1.00 0.00 H new ATOM 854 N SER A 61 -6.441 -5.952 4.470 1.00 0.00 N ATOM 855 CA SER A 61 -4.990 -5.788 4.756 1.00 0.00 C ATOM 856 C SER A 61 -4.438 -7.032 5.456 1.00 0.00 C ATOM 857 O SER A 61 -3.292 -7.392 5.279 1.00 0.00 O ATOM 858 CB SER A 61 -4.810 -4.565 5.659 1.00 0.00 C ATOM 859 OG SER A 61 -3.546 -3.969 5.400 1.00 0.00 O ATOM 0 H SER A 61 -7.012 -5.134 4.681 1.00 0.00 H new ATOM 0 HA SER A 61 -4.447 -5.652 3.821 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.608 -3.845 5.478 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.878 -4.859 6.706 1.00 0.00 H new ATOM 0 HG SER A 61 -2.978 -4.048 6.195 1.00 0.00 H new ATOM 865 N THR A 62 -5.232 -7.690 6.256 1.00 0.00 N ATOM 866 CA THR A 62 -4.722 -8.894 6.962 1.00 0.00 C ATOM 867 C THR A 62 -4.928 -10.138 6.110 1.00 0.00 C ATOM 868 O THR A 62 -3.988 -10.776 5.695 1.00 0.00 O ATOM 869 CB THR A 62 -5.478 -9.097 8.273 1.00 0.00 C ATOM 870 OG1 THR A 62 -6.280 -7.960 8.547 1.00 0.00 O ATOM 871 CG2 THR A 62 -4.490 -9.321 9.421 1.00 0.00 C ATOM 0 H THR A 62 -6.204 -7.447 6.449 1.00 0.00 H new ATOM 0 HA THR A 62 -3.660 -8.741 7.154 1.00 0.00 H new ATOM 0 HB THR A 62 -6.118 -9.974 8.179 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.716 -7.159 8.565 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.040 -9.465 10.351 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.888 -10.206 9.215 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.838 -8.452 9.515 1.00 0.00 H new ATOM 879 N ILE A 63 -6.162 -10.505 5.880 1.00 0.00 N ATOM 880 CA ILE A 63 -6.424 -11.736 5.093 1.00 0.00 C ATOM 881 C ILE A 63 -5.749 -11.629 3.725 1.00 0.00 C ATOM 882 O ILE A 63 -5.258 -12.598 3.183 1.00 0.00 O ATOM 883 CB ILE A 63 -7.922 -11.950 4.913 1.00 0.00 C ATOM 884 CG1 ILE A 63 -8.559 -10.644 4.464 1.00 0.00 C ATOM 885 CG2 ILE A 63 -8.543 -12.396 6.239 1.00 0.00 C ATOM 886 CD1 ILE A 63 -9.926 -10.929 3.840 1.00 0.00 C ATOM 0 H ILE A 63 -6.991 -10.006 6.203 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.014 -12.588 5.635 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.095 -12.721 4.162 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.669 -9.970 5.314 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.915 -10.143 3.741 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.614 -12.548 6.106 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.081 -13.329 6.561 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.376 -11.629 6.995 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.382 -9.992 3.519 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.803 -11.587 2.980 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -10.569 -11.411 4.577 1.00 0.00 H new ATOM 898 N HIS A 64 -5.719 -10.454 3.168 1.00 0.00 N ATOM 899 CA HIS A 64 -5.072 -10.276 1.837 1.00 0.00 C ATOM 900 C HIS A 64 -3.558 -10.400 1.995 1.00 0.00 C ATOM 901 O HIS A 64 -2.896 -11.045 1.206 1.00 0.00 O ATOM 902 CB HIS A 64 -5.402 -8.899 1.259 1.00 0.00 C ATOM 903 CG HIS A 64 -4.720 -8.763 -0.070 1.00 0.00 C ATOM 904 ND1 HIS A 64 -5.419 -8.752 -1.267 1.00 0.00 N ATOM 905 CD2 HIS A 64 -3.395 -8.664 -0.406 1.00 0.00 C ATOM 906 CE1 HIS A 64 -4.516 -8.652 -2.260 1.00 0.00 C ATOM 907 NE2 HIS A 64 -3.268 -8.597 -1.789 1.00 0.00 N ATOM 0 H HIS A 64 -6.114 -9.607 3.575 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.446 -11.043 1.159 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.480 -8.785 1.145 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -5.069 -8.114 1.938 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -6.432 -8.809 -1.375 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.575 -8.641 0.296 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.770 -8.620 -3.309 1.00 0.00 H new ATOM 915 N ALA A 65 -3.001 -9.813 3.021 1.00 0.00 N ATOM 916 CA ALA A 65 -1.530 -9.938 3.223 1.00 0.00 C ATOM 917 C ALA A 65 -1.279 -11.342 3.750 1.00 0.00 C ATOM 918 O ALA A 65 -0.194 -11.876 3.699 1.00 0.00 O ATOM 919 CB ALA A 65 -1.054 -8.906 4.248 1.00 0.00 C ATOM 0 H ALA A 65 -3.495 -9.259 3.720 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.990 -9.763 2.292 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.022 -9.004 4.390 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.283 -7.903 3.888 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.562 -9.075 5.197 1.00 0.00 H new ATOM 925 N GLN A 66 -2.313 -11.914 4.273 1.00 0.00 N ATOM 926 CA GLN A 66 -2.268 -13.277 4.853 1.00 0.00 C ATOM 927 C GLN A 66 -2.438 -14.333 3.754 1.00 0.00 C ATOM 928 O GLN A 66 -1.915 -15.426 3.841 1.00 0.00 O ATOM 929 CB GLN A 66 -3.453 -13.340 5.806 1.00 0.00 C ATOM 930 CG GLN A 66 -3.759 -14.764 6.268 1.00 0.00 C ATOM 931 CD GLN A 66 -2.937 -15.094 7.517 1.00 0.00 C ATOM 932 OE1 GLN A 66 -1.727 -14.979 7.510 1.00 0.00 O ATOM 933 NE2 GLN A 66 -3.547 -15.501 8.596 1.00 0.00 N ATOM 0 H GLN A 66 -3.231 -11.473 4.325 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.318 -13.473 5.351 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.249 -12.716 6.676 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.333 -12.924 5.314 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.822 -14.865 6.485 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.527 -15.472 5.472 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.562 -15.598 8.602 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.009 -15.723 9.433 1.00 0.00 H new ATOM 942 N ALA A 67 -3.196 -14.023 2.739 1.00 0.00 N ATOM 943 CA ALA A 67 -3.440 -15.013 1.653 1.00 0.00 C ATOM 944 C ALA A 67 -2.361 -14.893 0.581 1.00 0.00 C ATOM 945 O ALA A 67 -1.867 -15.876 0.066 1.00 0.00 O ATOM 946 CB ALA A 67 -4.816 -14.750 1.030 1.00 0.00 C ATOM 0 H ALA A 67 -3.659 -13.123 2.615 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.411 -16.019 2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.999 -15.472 0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.587 -14.849 1.795 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.842 -13.741 0.617 1.00 0.00 H new ATOM 952 N LYS A 68 -2.008 -13.690 0.230 1.00 0.00 N ATOM 953 CA LYS A 68 -0.977 -13.489 -0.824 1.00 0.00 C ATOM 954 C LYS A 68 0.359 -13.151 -0.173 1.00 0.00 C ATOM 955 O LYS A 68 1.347 -12.906 -0.838 1.00 0.00 O ATOM 956 CB LYS A 68 -1.418 -12.349 -1.733 1.00 0.00 C ATOM 957 CG LYS A 68 -2.814 -12.660 -2.297 1.00 0.00 C ATOM 958 CD LYS A 68 -3.886 -11.987 -1.437 1.00 0.00 C ATOM 959 CE LYS A 68 -5.257 -12.183 -2.084 1.00 0.00 C ATOM 960 NZ LYS A 68 -6.310 -11.603 -1.202 1.00 0.00 N ATOM 0 H LYS A 68 -2.391 -12.833 0.629 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.862 -14.400 -1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.438 -11.412 -1.177 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.705 -12.221 -2.547 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.887 -12.307 -3.326 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.976 -13.738 -2.317 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.882 -12.412 -0.433 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.670 -10.924 -1.334 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.282 -11.702 -3.062 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.447 -13.244 -2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.239 -11.706 -1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.314 -12.104 -0.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.112 -10.595 -1.042 1.00 0.00 H new ATOM 974 N LYS A 69 0.393 -13.147 1.126 1.00 0.00 N ATOM 975 CA LYS A 69 1.656 -12.842 1.848 1.00 0.00 C ATOM 976 C LYS A 69 2.197 -11.471 1.423 1.00 0.00 C ATOM 977 O LYS A 69 3.341 -11.146 1.677 1.00 0.00 O ATOM 978 CB LYS A 69 2.697 -13.931 1.542 1.00 0.00 C ATOM 979 CG LYS A 69 2.582 -15.066 2.567 1.00 0.00 C ATOM 980 CD LYS A 69 1.117 -15.509 2.702 1.00 0.00 C ATOM 981 CE LYS A 69 1.062 -16.978 3.128 1.00 0.00 C ATOM 982 NZ LYS A 69 1.503 -17.841 1.996 1.00 0.00 N ATOM 0 H LYS A 69 -0.408 -13.344 1.726 1.00 0.00 H new ATOM 0 HA LYS A 69 1.455 -12.820 2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.543 -14.321 0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.700 -13.505 1.569 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.198 -15.910 2.257 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.960 -14.733 3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.605 -14.887 3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.597 -15.375 1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.703 -17.141 3.994 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.048 -17.243 3.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.034 -18.767 2.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.249 -17.388 1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.534 -17.971 2.040 1.00 0.00 H new ATOM 996 N HIS A 70 1.388 -10.649 0.807 1.00 0.00 N ATOM 997 CA HIS A 70 1.883 -9.295 0.414 1.00 0.00 C ATOM 998 C HIS A 70 2.031 -8.471 1.695 1.00 0.00 C ATOM 999 O HIS A 70 1.119 -8.389 2.492 1.00 0.00 O ATOM 1000 CB HIS A 70 0.892 -8.635 -0.549 1.00 0.00 C ATOM 1001 CG HIS A 70 0.939 -9.368 -1.863 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -0.190 -9.569 -2.644 1.00 0.00 N ATOM 1003 CD2 HIS A 70 1.977 -9.956 -2.547 1.00 0.00 C ATOM 1004 CE1 HIS A 70 0.193 -10.253 -3.740 1.00 0.00 C ATOM 1005 NE2 HIS A 70 1.500 -10.512 -3.727 1.00 0.00 N ATOM 0 H HIS A 70 0.419 -10.852 0.561 1.00 0.00 H new ATOM 0 HA HIS A 70 2.842 -9.364 -0.099 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.116 -8.666 -0.135 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.146 -7.585 -0.692 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -1.137 -9.256 -2.428 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.005 -9.982 -2.217 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.477 -10.554 -4.532 1.00 0.00 H new ATOM 1013 N ASN A 71 3.184 -7.901 1.931 1.00 0.00 N ATOM 1014 CA ASN A 71 3.386 -7.138 3.197 1.00 0.00 C ATOM 1015 C ASN A 71 3.067 -5.652 3.011 1.00 0.00 C ATOM 1016 O ASN A 71 2.439 -5.037 3.847 1.00 0.00 O ATOM 1017 CB ASN A 71 4.849 -7.289 3.637 1.00 0.00 C ATOM 1018 CG ASN A 71 5.469 -8.514 2.960 1.00 0.00 C ATOM 1019 OD1 ASN A 71 6.105 -8.396 1.931 1.00 0.00 O ATOM 1020 ND2 ASN A 71 5.310 -9.692 3.498 1.00 0.00 N ATOM 0 H ASN A 71 3.989 -7.931 1.306 1.00 0.00 H new ATOM 0 HA ASN A 71 2.711 -7.538 3.954 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.412 -6.393 3.375 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.904 -7.394 4.721 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.720 -10.514 3.055 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.776 -9.790 4.362 1.00 0.00 H new ATOM 1027 N LEU A 72 3.537 -5.062 1.949 1.00 0.00 N ATOM 1028 CA LEU A 72 3.311 -3.601 1.751 1.00 0.00 C ATOM 1029 C LEU A 72 1.953 -3.287 1.124 1.00 0.00 C ATOM 1030 O LEU A 72 1.505 -3.921 0.190 1.00 0.00 O ATOM 1031 CB LEU A 72 4.404 -3.054 0.843 1.00 0.00 C ATOM 1032 CG LEU A 72 5.752 -3.133 1.558 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.867 -2.958 0.532 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.854 -2.023 2.611 1.00 0.00 C ATOM 0 H LEU A 72 4.067 -5.525 1.210 1.00 0.00 H new ATOM 0 HA LEU A 72 3.333 -3.134 2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.439 -3.625 -0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.184 -2.021 0.574 1.00 0.00 H new ATOM 0 HG LEU A 72 5.844 -4.101 2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.834 -3.013 1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.800 -3.748 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.765 -1.988 0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.818 -2.087 3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.763 -1.051 2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.054 -2.140 3.342 1.00 0.00 H new ATOM 1046 N THR A 73 1.335 -2.257 1.629 1.00 0.00 N ATOM 1047 CA THR A 73 0.030 -1.784 1.096 1.00 0.00 C ATOM 1048 C THR A 73 -0.025 -0.279 1.365 1.00 0.00 C ATOM 1049 O THR A 73 0.729 0.220 2.171 1.00 0.00 O ATOM 1050 CB THR A 73 -1.125 -2.493 1.809 1.00 0.00 C ATOM 1051 OG1 THR A 73 -2.359 -1.951 1.361 1.00 0.00 O ATOM 1052 CG2 THR A 73 -0.997 -2.292 3.319 1.00 0.00 C ATOM 0 H THR A 73 1.692 -1.709 2.412 1.00 0.00 H new ATOM 0 HA THR A 73 -0.063 -2.000 0.032 1.00 0.00 H new ATOM 0 HB THR A 73 -1.091 -3.559 1.583 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.201 -1.379 0.581 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.820 -2.797 3.824 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.050 -2.708 3.662 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.030 -1.227 3.548 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.876 0.460 0.705 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.900 1.937 0.955 1.00 0.00 C ATOM 1062 C VAL A 74 -2.288 2.395 1.399 1.00 0.00 C ATOM 1063 O VAL A 74 -3.297 2.024 0.834 1.00 0.00 O ATOM 1064 CB VAL A 74 -0.485 2.675 -0.321 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -1.159 2.026 -1.532 1.00 0.00 C ATOM 1066 CG2 VAL A 74 -0.908 4.146 -0.237 1.00 0.00 C ATOM 0 H VAL A 74 -1.545 0.117 0.016 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.198 2.168 1.756 1.00 0.00 H new ATOM 0 HB VAL A 74 0.598 2.616 -0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.862 2.553 -2.439 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.854 0.982 -1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.242 2.080 -1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.609 4.663 -1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.990 4.207 -0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.426 4.615 0.621 1.00 0.00 H new ATOM 1076 N ASN A 75 -2.326 3.213 2.418 1.00 0.00 N ATOM 1077 CA ASN A 75 -3.624 3.729 2.930 1.00 0.00 C ATOM 1078 C ASN A 75 -3.994 4.998 2.170 1.00 0.00 C ATOM 1079 O ASN A 75 -3.473 6.065 2.427 1.00 0.00 O ATOM 1080 CB ASN A 75 -3.491 4.050 4.420 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.880 4.269 5.017 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -5.900 4.430 4.221 1.00 0.00 O flip ATOM 1083 ND2 ASN A 75 -5.041 4.293 6.222 1.00 0.00 N flip ATOM 0 H ASN A 75 -1.504 3.547 2.920 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.400 2.977 2.788 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.986 3.233 4.936 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.879 4.941 4.558 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.244 4.167 6.846 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.973 4.439 6.609 1.00 0.00 H new ATOM 1090 N LEU A 76 -4.894 4.892 1.237 1.00 0.00 N ATOM 1091 CA LEU A 76 -5.305 6.087 0.458 1.00 0.00 C ATOM 1092 C LEU A 76 -6.067 7.036 1.380 1.00 0.00 C ATOM 1093 O LEU A 76 -6.638 8.020 0.953 1.00 0.00 O ATOM 1094 CB LEU A 76 -6.184 5.635 -0.708 1.00 0.00 C ATOM 1095 CG LEU A 76 -5.523 4.418 -1.393 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -6.530 3.274 -1.520 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -5.009 4.798 -2.786 1.00 0.00 C ATOM 0 H LEU A 76 -5.365 4.024 0.980 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.436 6.610 0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.179 5.371 -0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.308 6.448 -1.423 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.682 4.096 -0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.053 2.422 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.875 2.982 -0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.380 3.602 -2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.547 3.928 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.842 5.140 -3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.272 5.596 -2.697 1.00 0.00 H new ATOM 1109 N THR A 77 -6.057 6.748 2.654 1.00 0.00 N ATOM 1110 CA THR A 77 -6.752 7.624 3.633 1.00 0.00 C ATOM 1111 C THR A 77 -5.767 8.681 4.123 1.00 0.00 C ATOM 1112 O THR A 77 -6.108 9.834 4.301 1.00 0.00 O ATOM 1113 CB THR A 77 -7.225 6.785 4.820 1.00 0.00 C ATOM 1114 OG1 THR A 77 -8.026 5.719 4.338 1.00 0.00 O ATOM 1115 CG2 THR A 77 -8.033 7.666 5.777 1.00 0.00 C ATOM 0 H THR A 77 -5.592 5.935 3.059 1.00 0.00 H new ATOM 0 HA THR A 77 -7.612 8.101 3.163 1.00 0.00 H new ATOM 0 HB THR A 77 -6.369 6.378 5.357 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.449 4.980 4.052 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.371 7.069 6.624 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.407 8.483 6.136 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.897 8.074 5.253 1.00 0.00 H new ATOM 1123 N THR A 78 -4.543 8.284 4.347 1.00 0.00 N ATOM 1124 CA THR A 78 -3.511 9.249 4.839 1.00 0.00 C ATOM 1125 C THR A 78 -2.343 9.343 3.848 1.00 0.00 C ATOM 1126 O THR A 78 -1.548 10.260 3.907 1.00 0.00 O ATOM 1127 CB THR A 78 -2.980 8.777 6.193 1.00 0.00 C ATOM 1128 OG1 THR A 78 -4.049 8.227 6.951 1.00 0.00 O ATOM 1129 CG2 THR A 78 -2.369 9.959 6.948 1.00 0.00 C ATOM 0 H THR A 78 -4.210 7.330 4.211 1.00 0.00 H new ATOM 0 HA THR A 78 -3.972 10.232 4.937 1.00 0.00 H new ATOM 0 HB THR A 78 -2.214 8.017 6.038 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.375 8.895 7.590 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.992 9.619 7.912 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.549 10.378 6.365 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.130 10.723 7.105 1.00 0.00 H new ATOM 1137 N PHE A 79 -2.233 8.410 2.942 1.00 0.00 N ATOM 1138 CA PHE A 79 -1.117 8.447 1.945 1.00 0.00 C ATOM 1139 C PHE A 79 0.185 7.922 2.568 1.00 0.00 C ATOM 1140 O PHE A 79 1.212 8.570 2.526 1.00 0.00 O ATOM 1141 CB PHE A 79 -0.909 9.884 1.446 1.00 0.00 C ATOM 1142 CG PHE A 79 -0.364 9.856 0.035 1.00 0.00 C ATOM 1143 CD1 PHE A 79 -1.201 9.501 -1.031 1.00 0.00 C ATOM 1144 CD2 PHE A 79 0.976 10.183 -0.206 1.00 0.00 C ATOM 1145 CE1 PHE A 79 -0.697 9.473 -2.336 1.00 0.00 C ATOM 1146 CE2 PHE A 79 1.479 10.155 -1.512 1.00 0.00 C ATOM 1147 CZ PHE A 79 0.643 9.801 -2.577 1.00 0.00 C ATOM 0 H PHE A 79 -2.869 7.619 2.846 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.384 7.806 1.105 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.853 10.429 1.472 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.218 10.412 2.103 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.235 9.249 -0.846 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.621 10.457 0.616 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.342 9.198 -3.158 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.513 10.407 -1.698 1.00 0.00 H new ATOM 0 HZ PHE A 79 1.031 9.781 -3.585 1.00 0.00 H new ATOM 1157 N ARG A 80 0.152 6.735 3.108 1.00 0.00 N ATOM 1158 CA ARG A 80 1.375 6.124 3.698 1.00 0.00 C ATOM 1159 C ARG A 80 1.326 4.631 3.384 1.00 0.00 C ATOM 1160 O ARG A 80 0.410 4.163 2.741 1.00 0.00 O ATOM 1161 CB ARG A 80 1.439 6.337 5.220 1.00 0.00 C ATOM 1162 CG ARG A 80 0.097 6.850 5.757 1.00 0.00 C ATOM 1163 CD ARG A 80 0.001 6.524 7.253 1.00 0.00 C ATOM 1164 NE ARG A 80 -1.306 6.985 7.801 1.00 0.00 N ATOM 1165 CZ ARG A 80 -1.406 7.356 9.050 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -2.555 7.758 9.519 1.00 0.00 N ATOM 1167 NH2 ARG A 80 -0.360 7.321 9.831 1.00 0.00 N ATOM 0 H ARG A 80 -0.684 6.154 3.166 1.00 0.00 H new ATOM 0 HA ARG A 80 2.263 6.593 3.274 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.698 5.399 5.712 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.228 7.051 5.459 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.015 7.925 5.600 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.727 6.385 5.217 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.108 5.450 7.406 1.00 0.00 H new ATOM 0 HD3 ARG A 80 0.818 7.005 7.790 1.00 0.00 H new ATOM 0 HE ARG A 80 -2.128 7.011 7.197 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.374 7.782 8.911 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.635 8.048 10.494 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.538 7.003 9.467 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.441 7.611 10.805 1.00 0.00 H new ATOM 1181 N LEU A 81 2.297 3.884 3.814 1.00 0.00 N ATOM 1182 CA LEU A 81 2.295 2.424 3.516 1.00 0.00 C ATOM 1183 C LEU A 81 2.175 1.628 4.809 1.00 0.00 C ATOM 1184 O LEU A 81 2.108 2.170 5.892 1.00 0.00 O ATOM 1185 CB LEU A 81 3.600 2.050 2.799 1.00 0.00 C ATOM 1186 CG LEU A 81 3.397 2.070 1.278 1.00 0.00 C ATOM 1187 CD1 LEU A 81 4.696 2.516 0.597 1.00 0.00 C ATOM 1188 CD2 LEU A 81 3.004 0.670 0.766 1.00 0.00 C ATOM 0 H LEU A 81 3.093 4.217 4.358 1.00 0.00 H new ATOM 0 HA LEU A 81 1.445 2.189 2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.389 2.749 3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.926 1.059 3.116 1.00 0.00 H new ATOM 0 HG LEU A 81 2.594 2.768 1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.554 2.531 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.963 3.515 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.496 1.820 0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.864 0.704 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.794 -0.041 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.075 0.356 1.242 1.00 0.00 H new ATOM 1200 N TRP A 82 2.153 0.336 4.685 1.00 0.00 N ATOM 1201 CA TRP A 82 2.045 -0.539 5.876 1.00 0.00 C ATOM 1202 C TRP A 82 2.625 -1.899 5.509 1.00 0.00 C ATOM 1203 O TRP A 82 2.076 -2.624 4.702 1.00 0.00 O ATOM 1204 CB TRP A 82 0.577 -0.687 6.275 1.00 0.00 C ATOM 1205 CG TRP A 82 0.484 -1.289 7.642 1.00 0.00 C ATOM 1206 CD1 TRP A 82 1.083 -0.799 8.751 1.00 0.00 C ATOM 1207 CD2 TRP A 82 -0.243 -2.480 8.061 1.00 0.00 C ATOM 1208 NE1 TRP A 82 0.771 -1.615 9.825 1.00 0.00 N ATOM 1209 CE2 TRP A 82 -0.043 -2.665 9.449 1.00 0.00 C ATOM 1210 CE3 TRP A 82 -1.048 -3.409 7.378 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 -0.620 -3.734 10.135 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -1.630 -4.486 8.064 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -1.417 -4.647 9.441 1.00 0.00 C ATOM 0 H TRP A 82 2.206 -0.158 3.794 1.00 0.00 H new ATOM 0 HA TRP A 82 2.589 -0.110 6.718 1.00 0.00 H new ATOM 0 HB2 TRP A 82 0.087 0.286 6.262 1.00 0.00 H new ATOM 0 HB3 TRP A 82 0.056 -1.316 5.554 1.00 0.00 H new ATOM 0 HD1 TRP A 82 1.703 0.084 8.792 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.102 -1.460 10.777 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -1.220 -3.293 6.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -0.452 -3.855 11.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -2.245 -5.194 7.529 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -1.869 -5.477 9.964 1.00 0.00 H new ATOM 1224 N CYS A 83 3.745 -2.241 6.073 1.00 0.00 N ATOM 1225 CA CYS A 83 4.380 -3.537 5.738 1.00 0.00 C ATOM 1226 C CYS A 83 3.968 -4.599 6.745 1.00 0.00 C ATOM 1227 O CYS A 83 4.395 -4.573 7.872 1.00 0.00 O ATOM 1228 CB CYS A 83 5.898 -3.370 5.790 1.00 0.00 C ATOM 1229 SG CYS A 83 6.652 -4.365 4.486 1.00 0.00 S ATOM 0 H CYS A 83 4.249 -1.675 6.755 1.00 0.00 H new ATOM 0 HA CYS A 83 4.063 -3.845 4.742 1.00 0.00 H new ATOM 0 HB2 CYS A 83 6.165 -2.321 5.663 1.00 0.00 H new ATOM 0 HB3 CYS A 83 6.276 -3.679 6.764 1.00 0.00 H new ATOM 0 HG CYS A 83 7.892 -4.609 4.789 1.00 0.00 H new ATOM 1234 N TYR A 84 3.180 -5.556 6.353 1.00 0.00 N ATOM 1235 CA TYR A 84 2.817 -6.621 7.323 1.00 0.00 C ATOM 1236 C TYR A 84 4.079 -7.445 7.561 1.00 0.00 C ATOM 1237 O TYR A 84 4.089 -8.407 8.304 1.00 0.00 O ATOM 1238 CB TYR A 84 1.700 -7.506 6.754 1.00 0.00 C ATOM 1239 CG TYR A 84 1.048 -8.279 7.877 1.00 0.00 C ATOM 1240 CD1 TYR A 84 1.551 -9.532 8.250 1.00 0.00 C ATOM 1241 CD2 TYR A 84 -0.060 -7.745 8.545 1.00 0.00 C ATOM 1242 CE1 TYR A 84 0.947 -10.248 9.290 1.00 0.00 C ATOM 1243 CE2 TYR A 84 -0.665 -8.460 9.585 1.00 0.00 C ATOM 1244 CZ TYR A 84 -0.161 -9.712 9.957 1.00 0.00 C ATOM 1245 OH TYR A 84 -0.757 -10.419 10.983 1.00 0.00 O ATOM 0 H TYR A 84 2.777 -5.648 5.420 1.00 0.00 H new ATOM 0 HA TYR A 84 2.448 -6.192 8.255 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.959 -6.891 6.243 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.108 -8.194 6.014 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.405 -9.946 7.735 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.449 -6.779 8.257 1.00 0.00 H new ATOM 0 HE1 TYR A 84 1.336 -11.214 9.578 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -1.520 -8.046 10.100 1.00 0.00 H new ATOM 0 HH TYR A 84 -1.512 -9.905 11.339 1.00 0.00 H new ATOM 1255 N ALA A 85 5.160 -7.035 6.944 1.00 0.00 N ATOM 1256 CA ALA A 85 6.457 -7.735 7.125 1.00 0.00 C ATOM 1257 C ALA A 85 7.267 -6.907 8.117 1.00 0.00 C ATOM 1258 O ALA A 85 7.421 -7.276 9.264 1.00 0.00 O ATOM 1259 CB ALA A 85 7.202 -7.825 5.792 1.00 0.00 C ATOM 0 H ALA A 85 5.193 -6.233 6.315 1.00 0.00 H new ATOM 0 HA ALA A 85 6.303 -8.751 7.489 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.151 -8.340 5.940 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.597 -8.378 5.074 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.390 -6.821 5.412 1.00 0.00 H new ATOM 1265 N CYS A 86 7.734 -5.752 7.706 1.00 0.00 N ATOM 1266 CA CYS A 86 8.458 -4.889 8.661 1.00 0.00 C ATOM 1267 C CYS A 86 7.440 -4.535 9.732 1.00 0.00 C ATOM 1268 O CYS A 86 7.756 -4.024 10.789 1.00 0.00 O ATOM 1269 CB CYS A 86 8.945 -3.618 7.953 1.00 0.00 C ATOM 1270 SG CYS A 86 9.933 -4.064 6.502 1.00 0.00 S ATOM 0 H CYS A 86 7.641 -5.382 6.760 1.00 0.00 H new ATOM 0 HA CYS A 86 9.334 -5.385 9.080 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.092 -3.010 7.651 1.00 0.00 H new ATOM 0 HB3 CYS A 86 9.540 -3.014 8.638 1.00 0.00 H new ATOM 0 HG CYS A 86 9.552 -3.353 5.482 1.00 0.00 H new ATOM 1275 N GLU A 87 6.199 -4.830 9.439 1.00 0.00 N ATOM 1276 CA GLU A 87 5.095 -4.553 10.389 1.00 0.00 C ATOM 1277 C GLU A 87 5.213 -3.116 10.903 1.00 0.00 C ATOM 1278 O GLU A 87 5.417 -2.866 12.074 1.00 0.00 O ATOM 1279 CB GLU A 87 5.169 -5.569 11.529 1.00 0.00 C ATOM 1280 CG GLU A 87 3.898 -6.425 11.551 1.00 0.00 C ATOM 1281 CD GLU A 87 2.718 -5.576 12.026 1.00 0.00 C ATOM 1282 OE1 GLU A 87 2.866 -4.902 13.032 1.00 0.00 O ATOM 1283 OE2 GLU A 87 1.686 -5.614 11.376 1.00 0.00 O ATOM 0 H GLU A 87 5.905 -5.260 8.562 1.00 0.00 H new ATOM 0 HA GLU A 87 4.126 -4.650 9.898 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.044 -6.206 11.403 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.286 -5.052 12.481 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.697 -6.822 10.556 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.034 -7.280 12.213 1.00 0.00 H new ATOM 1290 N LYS A 88 5.078 -2.169 10.014 1.00 0.00 N ATOM 1291 CA LYS A 88 5.170 -0.737 10.415 1.00 0.00 C ATOM 1292 C LYS A 88 4.564 0.124 9.306 1.00 0.00 C ATOM 1293 O LYS A 88 4.070 -0.383 8.321 1.00 0.00 O ATOM 1294 CB LYS A 88 6.637 -0.354 10.612 1.00 0.00 C ATOM 1295 CG LYS A 88 7.469 -0.951 9.478 1.00 0.00 C ATOM 1296 CD LYS A 88 8.887 -0.373 9.518 1.00 0.00 C ATOM 1297 CE LYS A 88 9.619 -0.879 10.765 1.00 0.00 C ATOM 1298 NZ LYS A 88 9.278 -0.010 11.927 1.00 0.00 N ATOM 0 H LYS A 88 4.907 -2.328 9.021 1.00 0.00 H new ATOM 0 HA LYS A 88 4.629 -0.578 11.348 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.743 0.731 10.625 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.995 -0.721 11.574 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.506 -2.036 9.573 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.003 -0.731 8.517 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.434 -0.664 8.621 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.845 0.716 9.526 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.335 -1.911 10.973 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.696 -0.872 10.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.152 0.287 12.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.763 0.830 11.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.680 -0.540 12.593 1.00 0.00 H new ATOM 1312 N GLU A 89 4.608 1.420 9.454 1.00 0.00 N ATOM 1313 CA GLU A 89 4.041 2.323 8.406 1.00 0.00 C ATOM 1314 C GLU A 89 5.193 3.034 7.697 1.00 0.00 C ATOM 1315 O GLU A 89 6.192 3.361 8.306 1.00 0.00 O ATOM 1316 CB GLU A 89 3.116 3.352 9.074 1.00 0.00 C ATOM 1317 CG GLU A 89 1.740 3.344 8.395 1.00 0.00 C ATOM 1318 CD GLU A 89 0.696 3.929 9.348 1.00 0.00 C ATOM 1319 OE1 GLU A 89 1.057 4.788 10.136 1.00 0.00 O ATOM 1320 OE2 GLU A 89 -0.446 3.508 9.273 1.00 0.00 O ATOM 0 H GLU A 89 5.014 1.897 10.259 1.00 0.00 H new ATOM 0 HA GLU A 89 3.467 1.749 7.679 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.008 3.122 10.134 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.557 4.346 9.007 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.774 3.926 7.474 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.465 2.326 8.118 1.00 0.00 H new ATOM 1327 N VAL A 90 5.083 3.267 6.413 1.00 0.00 N ATOM 1328 CA VAL A 90 6.207 3.942 5.702 1.00 0.00 C ATOM 1329 C VAL A 90 5.675 4.717 4.493 1.00 0.00 C ATOM 1330 O VAL A 90 4.686 4.366 3.903 1.00 0.00 O ATOM 1331 CB VAL A 90 7.217 2.874 5.234 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.384 2.791 6.223 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.520 1.511 5.164 1.00 0.00 C ATOM 0 H VAL A 90 4.278 3.023 5.836 1.00 0.00 H new ATOM 0 HA VAL A 90 6.697 4.643 6.378 1.00 0.00 H new ATOM 0 HB VAL A 90 7.596 3.148 4.249 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.093 2.035 5.886 1.00 0.00 H new ATOM 0 HG12 VAL A 90 8.884 3.758 6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.007 2.521 7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.232 0.755 4.833 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.140 1.245 6.151 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.691 1.562 4.458 1.00 0.00 H new ATOM 1343 N PHE A 91 6.345 5.764 4.113 1.00 0.00 N ATOM 1344 CA PHE A 91 5.904 6.555 2.931 1.00 0.00 C ATOM 1345 C PHE A 91 6.776 6.173 1.760 1.00 0.00 C ATOM 1346 O PHE A 91 7.771 5.494 1.917 1.00 0.00 O ATOM 1347 CB PHE A 91 6.114 8.045 3.169 1.00 0.00 C ATOM 1348 CG PHE A 91 5.316 8.495 4.369 1.00 0.00 C ATOM 1349 CD1 PHE A 91 5.752 8.173 5.660 1.00 0.00 C ATOM 1350 CD2 PHE A 91 4.139 9.232 4.191 1.00 0.00 C ATOM 1351 CE1 PHE A 91 5.012 8.589 6.773 1.00 0.00 C ATOM 1352 CE2 PHE A 91 3.399 9.648 5.304 1.00 0.00 C ATOM 1353 CZ PHE A 91 3.836 9.326 6.595 1.00 0.00 C ATOM 0 H PHE A 91 7.187 6.110 4.573 1.00 0.00 H new ATOM 0 HA PHE A 91 4.848 6.353 2.749 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.173 8.250 3.328 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.809 8.609 2.287 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.659 7.604 5.797 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.802 9.479 3.195 1.00 0.00 H new ATOM 0 HE1 PHE A 91 5.349 8.341 7.769 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.491 10.217 5.167 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.265 9.647 7.454 1.00 0.00 H new ATOM 1363 N LEU A 92 6.435 6.616 0.588 1.00 0.00 N ATOM 1364 CA LEU A 92 7.279 6.295 -0.576 1.00 0.00 C ATOM 1365 C LEU A 92 8.733 6.563 -0.182 1.00 0.00 C ATOM 1366 O LEU A 92 9.023 7.015 0.908 1.00 0.00 O ATOM 1367 CB LEU A 92 6.876 7.171 -1.770 1.00 0.00 C ATOM 1368 CG LEU A 92 5.393 7.568 -1.645 1.00 0.00 C ATOM 1369 CD1 LEU A 92 5.271 8.865 -0.835 1.00 0.00 C ATOM 1370 CD2 LEU A 92 4.785 7.787 -3.036 1.00 0.00 C ATOM 0 H LEU A 92 5.611 7.184 0.391 1.00 0.00 H new ATOM 0 HA LEU A 92 7.155 5.252 -0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.500 8.064 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.040 6.630 -2.702 1.00 0.00 H new ATOM 0 HG LEU A 92 4.858 6.765 -1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.220 9.143 -0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.689 8.713 0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.817 9.662 -1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.736 8.067 -2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.326 8.583 -3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.860 6.867 -3.615 1.00 0.00 H new ATOM 1382 N GLU A 93 9.643 6.282 -1.043 1.00 0.00 N ATOM 1383 CA GLU A 93 11.076 6.505 -0.703 1.00 0.00 C ATOM 1384 C GLU A 93 11.387 8.004 -0.719 1.00 0.00 C ATOM 1385 O GLU A 93 12.508 8.415 -0.495 1.00 0.00 O ATOM 1386 CB GLU A 93 11.973 5.761 -1.698 1.00 0.00 C ATOM 1387 CG GLU A 93 11.449 5.951 -3.124 1.00 0.00 C ATOM 1388 CD GLU A 93 12.053 4.882 -4.037 1.00 0.00 C ATOM 1389 OE1 GLU A 93 11.289 4.146 -4.640 1.00 0.00 O ATOM 1390 OE2 GLU A 93 13.269 4.817 -4.117 1.00 0.00 O ATOM 0 H GLU A 93 9.469 5.905 -1.975 1.00 0.00 H new ATOM 0 HA GLU A 93 11.271 6.118 0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.995 6.132 -1.626 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.001 4.700 -1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.361 5.882 -3.135 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.709 6.945 -3.489 1.00 0.00 H new ATOM 1397 N GLN A 94 10.397 8.822 -0.968 1.00 0.00 N ATOM 1398 CA GLN A 94 10.619 10.301 -0.986 1.00 0.00 C ATOM 1399 C GLN A 94 11.587 10.682 -2.112 1.00 0.00 C ATOM 1400 O GLN A 94 11.501 11.755 -2.676 1.00 0.00 O ATOM 1401 CB GLN A 94 11.198 10.752 0.358 1.00 0.00 C ATOM 1402 CG GLN A 94 10.444 10.065 1.499 1.00 0.00 C ATOM 1403 CD GLN A 94 10.756 10.775 2.817 1.00 0.00 C ATOM 1404 OE1 GLN A 94 11.739 10.346 3.560 1.00 0.00 O flip ATOM 1405 NE2 GLN A 94 10.098 11.732 3.176 1.00 0.00 N flip ATOM 0 H GLN A 94 9.439 8.529 -1.161 1.00 0.00 H new ATOM 0 HA GLN A 94 9.663 10.796 -1.158 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.259 10.506 0.409 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.117 11.835 0.455 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.371 10.088 1.306 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.734 9.016 1.561 1.00 0.00 H new ATOM 0 HE21 GLN A 94 9.329 12.069 2.596 1.00 0.00 H new ATOM 0 HE22 GLN A 94 10.315 12.198 4.057 1.00 0.00 H new