USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 667 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 79 HIS : no HD1:sc= -2.07 K(o=-5,f=-4.1) USER MOD Set 1.2: B 9 ASN : amide:sc= -2.96 K(o=-5,f=-9.4!) USER MOD Set 2.1: A 64 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 68 LYS NZ :NH3+ 173:sc= 0.912 (180deg=0.87) USER MOD Set 3.1: A 18 GLN : amide:sc= -3.46 K(o=-5,f=-9.1!) USER MOD Set 3.2: B 18 TYR OH : rot 180:sc= -1.59 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0159 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -113:sc= -3.34! (180deg=-7.97!) USER MOD Single : A 14 SER OG : rot -1:sc= 0.74! USER MOD Single : A 20 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.37) USER MOD Single : A 21 LYS NZ :NH3+ -126:sc= 0.201 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.692 K(o=-0.69,f=-4.2!) USER MOD Single : A 23 MET CE :methyl 155:sc= -0.112 (180deg=-1.28) USER MOD Single : A 33 GLN : amide:sc= -1.49 K(o=-1.5,f=-0.8) USER MOD Single : A 35 MET CE :methyl 142:sc= -0.255 (180deg=-1.88!) USER MOD Single : A 36 HIS : no HD1:sc= -6.2! K(o=-6.2!,f=-4.3) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -130:sc= 0.856 (180deg=-0.562) USER MOD Single : A 44 THR OG1 : rot 77:sc= 0.906 USER MOD Single : A 46 MET CE :methyl -125:sc= -0.34 (180deg=-5.16!) USER MOD Single : A 52 ASN : amide:sc= -6.37! C(o=-6.4!,f=-7.9!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.0744 X(o=-0.074,f=-0.2) USER MOD Single : A 58 MET CE :methyl -124:sc= -8.62! (180deg=-11.5!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.27 X(o=-0.27,f=0) USER MOD Single : B 5 LYS NZ :NH3+ 162:sc= 1.05 (180deg=0.187) USER MOD Single : B 7 SER OG : rot 100:sc= -0.246 USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot 90:sc= -0.45 USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -3.550 -7.824 -11.775 1.00 0.00 N ATOM 95 CA THR A 8 -4.398 -6.664 -11.544 1.00 0.00 C ATOM 96 C THR A 8 -5.401 -6.492 -12.670 1.00 0.00 C ATOM 97 O THR A 8 -6.547 -6.113 -12.430 1.00 0.00 O ATOM 98 CB THR A 8 -3.549 -5.393 -11.414 1.00 0.00 C ATOM 99 OG1 THR A 8 -3.176 -4.900 -12.693 1.00 0.00 O ATOM 100 CG2 THR A 8 -2.279 -5.590 -10.604 1.00 0.00 C ATOM 0 HA THR A 8 -4.940 -6.829 -10.613 1.00 0.00 H new ATOM 0 HB THR A 8 -4.184 -4.681 -10.887 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.637 -4.089 -12.586 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.730 -4.650 -10.554 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.537 -5.913 -9.595 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.658 -6.349 -11.080 1.00 0.00 H new ATOM 108 N ALA A 9 -4.987 -6.796 -13.895 1.00 0.00 N ATOM 109 CA ALA A 9 -5.890 -6.694 -15.027 1.00 0.00 C ATOM 110 C ALA A 9 -7.079 -7.610 -14.791 1.00 0.00 C ATOM 111 O ALA A 9 -8.200 -7.153 -14.567 1.00 0.00 O ATOM 112 CB ALA A 9 -5.175 -7.058 -16.320 1.00 0.00 C ATOM 0 H ALA A 9 -4.044 -7.111 -14.125 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.239 -5.666 -15.123 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.870 -6.975 -17.156 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.337 -6.379 -16.476 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.805 -8.081 -16.256 1.00 0.00 H new ATOM 118 N SER A 10 -6.827 -8.913 -14.861 1.00 0.00 N ATOM 119 CA SER A 10 -7.875 -9.909 -14.678 1.00 0.00 C ATOM 120 C SER A 10 -8.577 -9.756 -13.332 1.00 0.00 C ATOM 121 O SER A 10 -9.733 -10.162 -13.185 1.00 0.00 O ATOM 122 CB SER A 10 -7.287 -11.316 -14.785 1.00 0.00 C ATOM 123 OG SER A 10 -8.282 -12.261 -15.139 1.00 0.00 O ATOM 0 H SER A 10 -5.903 -9.304 -15.044 1.00 0.00 H new ATOM 0 HA SER A 10 -8.613 -9.752 -15.465 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.492 -11.325 -15.530 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.836 -11.598 -13.834 1.00 0.00 H new ATOM 0 HG SER A 10 -7.879 -13.152 -15.202 1.00 0.00 H new ATOM 129 N MET A 11 -7.900 -9.165 -12.353 1.00 0.00 N ATOM 130 CA MET A 11 -8.506 -8.978 -11.048 1.00 0.00 C ATOM 131 C MET A 11 -9.711 -8.050 -11.177 1.00 0.00 C ATOM 132 O MET A 11 -10.754 -8.271 -10.564 1.00 0.00 O ATOM 133 CB MET A 11 -7.458 -8.437 -10.070 1.00 0.00 C ATOM 134 CG MET A 11 -7.824 -7.134 -9.398 1.00 0.00 C ATOM 135 SD MET A 11 -9.129 -7.336 -8.173 1.00 0.00 S ATOM 136 CE MET A 11 -10.145 -5.899 -8.509 1.00 0.00 C ATOM 0 H MET A 11 -6.946 -8.814 -12.439 1.00 0.00 H new ATOM 0 HA MET A 11 -8.863 -9.929 -10.653 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.280 -9.188 -9.300 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.519 -8.301 -10.606 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.940 -6.715 -8.917 1.00 0.00 H new ATOM 0 HG3 MET A 11 -8.146 -6.417 -10.153 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.097 -5.214 -7.663 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.779 -5.396 -9.404 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.177 -6.212 -8.665 1.00 0.00 H new ATOM 146 N LEU A 12 -9.556 -7.023 -11.999 1.00 0.00 N ATOM 147 CA LEU A 12 -10.629 -6.065 -12.238 1.00 0.00 C ATOM 148 C LEU A 12 -11.848 -6.772 -12.817 1.00 0.00 C ATOM 149 O LEU A 12 -12.935 -6.739 -12.238 1.00 0.00 O ATOM 150 CB LEU A 12 -10.158 -4.961 -13.193 1.00 0.00 C ATOM 151 CG LEU A 12 -10.628 -3.543 -12.848 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.990 -3.264 -13.461 1.00 0.00 C ATOM 153 CD2 LEU A 12 -10.673 -3.345 -11.342 1.00 0.00 C ATOM 0 H LEU A 12 -8.697 -6.830 -12.513 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.904 -5.610 -11.287 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.068 -4.967 -13.218 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.502 -5.204 -14.199 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.912 -2.836 -13.267 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.304 -2.253 -13.204 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.928 -3.360 -14.545 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.716 -3.979 -13.075 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.009 -2.333 -11.118 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.365 -4.063 -10.901 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.678 -3.498 -10.925 1.00 0.00 H new ATOM 165 N ALA A 13 -11.652 -7.427 -13.954 1.00 0.00 N ATOM 166 CA ALA A 13 -12.721 -8.169 -14.616 1.00 0.00 C ATOM 167 C ALA A 13 -13.094 -9.434 -13.840 1.00 0.00 C ATOM 168 O ALA A 13 -13.900 -10.241 -14.300 1.00 0.00 O ATOM 169 CB ALA A 13 -12.302 -8.528 -16.029 1.00 0.00 C ATOM 0 H ALA A 13 -10.756 -7.460 -14.441 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.603 -7.529 -14.649 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.104 -9.081 -16.517 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.096 -7.616 -16.590 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.404 -9.144 -15.997 1.00 0.00 H new ATOM 175 N SER A 14 -12.506 -9.588 -12.658 1.00 0.00 N ATOM 176 CA SER A 14 -12.776 -10.739 -11.806 1.00 0.00 C ATOM 177 C SER A 14 -13.739 -10.380 -10.672 1.00 0.00 C ATOM 178 O SER A 14 -13.990 -11.193 -9.784 1.00 0.00 O ATOM 179 CB SER A 14 -11.469 -11.286 -11.231 1.00 0.00 C ATOM 180 OG SER A 14 -11.715 -12.178 -10.158 1.00 0.00 O ATOM 0 H SER A 14 -11.836 -8.926 -12.267 1.00 0.00 H new ATOM 0 HA SER A 14 -13.249 -11.506 -12.419 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.911 -11.800 -12.014 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.847 -10.460 -10.886 1.00 0.00 H new ATOM 0 HG SER A 14 -12.680 -12.238 -9.997 1.00 0.00 H new ATOM 186 N ALA A 15 -14.283 -9.160 -10.704 1.00 0.00 N ATOM 187 CA ALA A 15 -15.218 -8.714 -9.680 1.00 0.00 C ATOM 188 C ALA A 15 -16.420 -8.000 -10.301 1.00 0.00 C ATOM 189 O ALA A 15 -16.299 -7.366 -11.350 1.00 0.00 O ATOM 190 CB ALA A 15 -14.509 -7.806 -8.693 1.00 0.00 C ATOM 0 H ALA A 15 -14.089 -8.469 -11.428 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.592 -9.591 -9.151 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.214 -7.476 -7.930 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.691 -8.350 -8.220 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.111 -6.938 -9.218 1.00 0.00 H new ATOM 196 N PRO A 16 -17.600 -8.106 -9.660 1.00 0.00 N ATOM 197 CA PRO A 16 -18.841 -7.487 -10.142 1.00 0.00 C ATOM 198 C PRO A 16 -18.648 -6.056 -10.647 1.00 0.00 C ATOM 199 O PRO A 16 -17.562 -5.487 -10.538 1.00 0.00 O ATOM 200 CB PRO A 16 -19.766 -7.505 -8.912 1.00 0.00 C ATOM 201 CG PRO A 16 -18.990 -8.140 -7.799 1.00 0.00 C ATOM 202 CD PRO A 16 -17.825 -8.856 -8.423 1.00 0.00 C ATOM 0 HA PRO A 16 -19.240 -8.028 -11.000 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -20.072 -6.494 -8.643 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -20.676 -8.068 -9.120 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.644 -7.386 -7.092 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -19.616 -8.837 -7.242 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.948 -8.839 -7.776 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -18.055 -9.903 -8.622 1.00 0.00 H new ATOM 210 N PRO A 17 -19.715 -5.456 -11.213 1.00 0.00 N ATOM 211 CA PRO A 17 -19.671 -4.091 -11.747 1.00 0.00 C ATOM 212 C PRO A 17 -19.035 -3.089 -10.785 1.00 0.00 C ATOM 213 O PRO A 17 -17.895 -2.682 -10.982 1.00 0.00 O ATOM 214 CB PRO A 17 -21.144 -3.759 -11.994 1.00 0.00 C ATOM 215 CG PRO A 17 -21.790 -5.076 -12.235 1.00 0.00 C ATOM 216 CD PRO A 17 -21.047 -6.070 -11.382 1.00 0.00 C ATOM 0 HA PRO A 17 -19.051 -4.029 -12.642 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -21.585 -3.252 -11.136 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.263 -3.096 -12.851 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -22.846 -5.046 -11.968 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.735 -5.349 -13.289 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -21.542 -6.224 -10.423 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.981 -7.044 -11.867 1.00 0.00 H new ATOM 224 N GLN A 18 -19.776 -2.687 -9.754 1.00 0.00 N ATOM 225 CA GLN A 18 -19.271 -1.720 -8.780 1.00 0.00 C ATOM 226 C GLN A 18 -18.003 -2.223 -8.097 1.00 0.00 C ATOM 227 O GLN A 18 -17.249 -1.438 -7.526 1.00 0.00 O ATOM 228 CB GLN A 18 -20.342 -1.395 -7.734 1.00 0.00 C ATOM 229 CG GLN A 18 -20.979 -2.621 -7.093 1.00 0.00 C ATOM 230 CD GLN A 18 -20.269 -3.051 -5.824 1.00 0.00 C ATOM 231 OE1 GLN A 18 -19.097 -3.426 -5.852 1.00 0.00 O ATOM 232 NE2 GLN A 18 -20.976 -2.998 -4.700 1.00 0.00 N ATOM 0 H GLN A 18 -20.725 -3.014 -9.571 1.00 0.00 H new ATOM 0 HA GLN A 18 -19.021 -0.809 -9.324 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.896 -0.780 -6.952 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -21.123 -0.797 -8.203 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -22.023 -2.406 -6.866 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -20.971 -3.445 -7.806 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -21.945 -2.681 -4.722 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -20.549 -3.274 -3.816 1.00 0.00 H new ATOM 241 N GLU A 19 -17.763 -3.530 -8.166 1.00 0.00 N ATOM 242 CA GLU A 19 -16.574 -4.111 -7.560 1.00 0.00 C ATOM 243 C GLU A 19 -15.387 -4.009 -8.511 1.00 0.00 C ATOM 244 O GLU A 19 -14.533 -4.898 -8.551 1.00 0.00 O ATOM 245 CB GLU A 19 -16.829 -5.572 -7.191 1.00 0.00 C ATOM 246 CG GLU A 19 -17.266 -5.778 -5.749 1.00 0.00 C ATOM 247 CD GLU A 19 -16.559 -6.948 -5.089 1.00 0.00 C ATOM 248 OE1 GLU A 19 -16.328 -7.968 -5.772 1.00 0.00 O ATOM 249 OE2 GLU A 19 -16.229 -6.839 -3.889 1.00 0.00 O ATOM 0 H GLU A 19 -18.373 -4.201 -8.633 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.341 -3.554 -6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.595 -5.975 -7.853 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.919 -6.145 -7.370 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.068 -4.870 -5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.343 -5.945 -5.719 1.00 0.00 H new ATOM 256 N GLN A 20 -15.309 -2.901 -9.236 1.00 0.00 N ATOM 257 CA GLN A 20 -14.188 -2.661 -10.137 1.00 0.00 C ATOM 258 C GLN A 20 -12.928 -2.374 -9.325 1.00 0.00 C ATOM 259 O GLN A 20 -12.137 -3.268 -9.024 1.00 0.00 O ATOM 260 CB GLN A 20 -14.458 -1.517 -11.140 1.00 0.00 C ATOM 261 CG GLN A 20 -15.698 -0.687 -10.854 1.00 0.00 C ATOM 262 CD GLN A 20 -16.090 0.190 -12.027 1.00 0.00 C ATOM 263 OE1 GLN A 20 -17.117 -0.035 -12.667 1.00 0.00 O ATOM 264 NE2 GLN A 20 -15.269 1.193 -12.316 1.00 0.00 N ATOM 0 H GLN A 20 -16.006 -2.156 -9.219 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.048 -3.565 -10.730 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.592 -0.855 -11.154 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.548 -1.944 -12.139 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.527 -1.350 -10.607 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.519 -0.061 -9.980 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.429 1.341 -11.757 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.479 1.815 -13.097 1.00 0.00 H new ATOM 273 N LYS A 21 -12.770 -1.103 -8.967 1.00 0.00 N ATOM 274 CA LYS A 21 -11.627 -0.634 -8.180 1.00 0.00 C ATOM 275 C LYS A 21 -11.790 -0.959 -6.697 1.00 0.00 C ATOM 276 O LYS A 21 -11.082 -0.410 -5.851 1.00 0.00 O ATOM 277 CB LYS A 21 -11.457 0.870 -8.373 1.00 0.00 C ATOM 278 CG LYS A 21 -11.720 1.305 -9.804 1.00 0.00 C ATOM 279 CD LYS A 21 -10.429 1.620 -10.548 1.00 0.00 C ATOM 280 CE LYS A 21 -10.173 0.629 -11.675 1.00 0.00 C ATOM 281 NZ LYS A 21 -8.849 -0.037 -11.541 1.00 0.00 N ATOM 0 H LYS A 21 -13.430 -0.366 -9.213 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.736 -1.154 -8.533 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.137 1.398 -7.705 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.445 1.158 -8.089 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.259 0.517 -10.330 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.363 2.185 -9.804 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.481 2.630 -10.956 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.592 1.601 -9.850 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.960 -0.126 -11.680 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.223 1.148 -12.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.309 0.084 -12.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.324 0.390 -10.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.988 -1.051 -11.356 1.00 0.00 H new ATOM 295 N GLN A 22 -12.710 -1.862 -6.391 1.00 0.00 N ATOM 296 CA GLN A 22 -12.965 -2.271 -5.014 1.00 0.00 C ATOM 297 C GLN A 22 -11.754 -2.938 -4.385 1.00 0.00 C ATOM 298 O GLN A 22 -11.198 -2.442 -3.404 1.00 0.00 O ATOM 299 CB GLN A 22 -14.154 -3.227 -4.963 1.00 0.00 C ATOM 300 CG GLN A 22 -15.134 -2.914 -3.846 1.00 0.00 C ATOM 301 CD GLN A 22 -14.670 -3.427 -2.497 1.00 0.00 C ATOM 302 OE1 GLN A 22 -13.490 -3.344 -2.160 1.00 0.00 O ATOM 303 NE2 GLN A 22 -15.600 -3.965 -1.714 1.00 0.00 N ATOM 0 H GLN A 22 -13.297 -2.329 -7.082 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.187 -1.369 -4.444 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.680 -3.192 -5.917 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.786 -4.246 -4.839 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.280 -1.835 -3.789 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.102 -3.355 -4.084 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -16.568 -4.014 -2.032 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -15.346 -4.328 -0.795 1.00 0.00 H new ATOM 312 N MET A 23 -11.353 -4.077 -4.940 1.00 0.00 N ATOM 313 CA MET A 23 -10.222 -4.814 -4.412 1.00 0.00 C ATOM 314 C MET A 23 -8.957 -3.959 -4.441 1.00 0.00 C ATOM 315 O MET A 23 -8.680 -3.231 -3.495 1.00 0.00 O ATOM 316 CB MET A 23 -10.017 -6.120 -5.192 1.00 0.00 C ATOM 317 CG MET A 23 -11.295 -6.905 -5.437 1.00 0.00 C ATOM 318 SD MET A 23 -11.499 -8.270 -4.278 1.00 0.00 S ATOM 319 CE MET A 23 -11.832 -7.372 -2.767 1.00 0.00 C ATOM 0 H MET A 23 -11.796 -4.505 -5.753 1.00 0.00 H new ATOM 0 HA MET A 23 -10.434 -5.067 -3.373 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.556 -5.888 -6.152 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.315 -6.750 -4.646 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.151 -6.234 -5.358 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.289 -7.295 -6.455 1.00 0.00 H new ATOM 0 HE1 MET A 23 -12.400 -8.005 -2.085 1.00 0.00 H new ATOM 0 HE2 MET A 23 -10.890 -7.087 -2.298 1.00 0.00 H new ATOM 0 HE3 MET A 23 -12.409 -6.476 -2.996 1.00 0.00 H new ATOM 329 N LEU A 24 -8.192 -4.053 -5.524 1.00 0.00 N ATOM 330 CA LEU A 24 -6.958 -3.288 -5.660 1.00 0.00 C ATOM 331 C LEU A 24 -7.203 -1.778 -5.680 1.00 0.00 C ATOM 332 O LEU A 24 -6.832 -1.116 -6.649 1.00 0.00 O ATOM 333 CB LEU A 24 -6.198 -3.714 -6.924 1.00 0.00 C ATOM 334 CG LEU A 24 -7.039 -4.179 -8.112 1.00 0.00 C ATOM 335 CD1 LEU A 24 -8.047 -3.118 -8.518 1.00 0.00 C ATOM 336 CD2 LEU A 24 -6.120 -4.532 -9.271 1.00 0.00 C ATOM 0 H LEU A 24 -8.406 -4.652 -6.321 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.353 -3.507 -4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.585 -2.874 -7.250 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.516 -4.521 -6.654 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.604 -5.065 -7.822 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.631 -3.476 -9.366 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.713 -2.909 -7.681 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.521 -2.206 -8.800 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.717 -4.864 -10.120 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.540 -3.654 -9.556 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.443 -5.331 -8.968 1.00 0.00 H new ATOM 348 N GLY A 25 -7.818 -1.231 -4.617 1.00 0.00 N ATOM 349 CA GLY A 25 -8.085 0.202 -4.561 1.00 0.00 C ATOM 350 C GLY A 25 -8.299 0.815 -5.933 1.00 0.00 C ATOM 351 O GLY A 25 -8.826 0.164 -6.835 1.00 0.00 O ATOM 0 H GLY A 25 -8.132 -1.756 -3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.969 0.379 -3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.251 0.703 -4.070 1.00 0.00 H new ATOM 355 N GLU A 26 -7.868 2.053 -6.103 1.00 0.00 N ATOM 356 CA GLU A 26 -7.993 2.723 -7.391 1.00 0.00 C ATOM 357 C GLU A 26 -6.962 2.141 -8.363 1.00 0.00 C ATOM 358 O GLU A 26 -7.258 1.236 -9.145 1.00 0.00 O ATOM 359 CB GLU A 26 -7.807 4.246 -7.264 1.00 0.00 C ATOM 360 CG GLU A 26 -7.202 4.692 -5.945 1.00 0.00 C ATOM 361 CD GLU A 26 -5.730 4.360 -5.867 1.00 0.00 C ATOM 362 OE1 GLU A 26 -4.933 5.096 -6.465 1.00 0.00 O ATOM 363 OE2 GLU A 26 -5.376 3.345 -5.233 1.00 0.00 O ATOM 0 H GLU A 26 -7.431 2.614 -5.372 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.000 2.552 -7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.170 4.592 -8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.775 4.731 -7.389 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.340 5.767 -5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.728 4.210 -5.121 1.00 0.00 H new ATOM 370 N ARG A 27 -5.743 2.681 -8.292 1.00 0.00 N ATOM 371 CA ARG A 27 -4.637 2.248 -9.142 1.00 0.00 C ATOM 372 C ARG A 27 -3.321 2.171 -8.356 1.00 0.00 C ATOM 373 O ARG A 27 -2.249 1.995 -8.942 1.00 0.00 O ATOM 374 CB ARG A 27 -4.474 3.218 -10.316 1.00 0.00 C ATOM 375 CG ARG A 27 -5.112 2.739 -11.610 1.00 0.00 C ATOM 376 CD ARG A 27 -4.669 1.330 -11.965 1.00 0.00 C ATOM 377 NE ARG A 27 -4.600 1.122 -13.408 1.00 0.00 N ATOM 378 CZ ARG A 27 -4.296 -0.042 -13.972 1.00 0.00 C ATOM 379 NH1 ARG A 27 -4.011 -1.098 -13.220 1.00 0.00 N ATOM 380 NH2 ARG A 27 -4.271 -0.152 -15.294 1.00 0.00 N ATOM 0 H ARG A 27 -5.497 3.429 -7.644 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.871 1.250 -9.513 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.910 4.179 -10.043 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.411 3.387 -10.488 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.197 2.766 -11.513 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.848 3.419 -12.420 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.691 1.136 -11.524 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.363 0.612 -11.529 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.796 1.915 -14.018 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.025 -1.019 -12.203 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.778 -1.989 -13.659 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.485 0.657 -15.877 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.038 -1.046 -15.727 1.00 0.00 H new ATOM 394 N LEU A 28 -3.395 2.305 -7.031 1.00 0.00 N ATOM 395 CA LEU A 28 -2.198 2.259 -6.195 1.00 0.00 C ATOM 396 C LEU A 28 -1.655 0.848 -6.031 1.00 0.00 C ATOM 397 O LEU A 28 -0.459 0.624 -6.199 1.00 0.00 O ATOM 398 CB LEU A 28 -2.484 2.844 -4.817 1.00 0.00 C ATOM 399 CG LEU A 28 -2.569 4.364 -4.781 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.406 4.817 -3.604 1.00 0.00 C ATOM 401 CD2 LEU A 28 -1.182 4.986 -4.724 1.00 0.00 C ATOM 0 H LEU A 28 -4.265 2.445 -6.518 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.442 2.855 -6.706 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.423 2.431 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.703 2.520 -4.129 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.050 4.700 -5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.457 5.906 -3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.412 4.407 -3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.952 4.465 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.271 6.072 -4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.666 4.644 -3.827 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.613 4.689 -5.605 1.00 0.00 H new ATOM 413 N PHE A 29 -2.528 -0.099 -5.696 1.00 0.00 N ATOM 414 CA PHE A 29 -2.099 -1.487 -5.503 1.00 0.00 C ATOM 415 C PHE A 29 -1.197 -1.947 -6.647 1.00 0.00 C ATOM 416 O PHE A 29 -0.137 -2.518 -6.407 1.00 0.00 O ATOM 417 CB PHE A 29 -3.303 -2.413 -5.363 1.00 0.00 C ATOM 418 CG PHE A 29 -2.986 -3.761 -4.767 1.00 0.00 C ATOM 419 CD1 PHE A 29 -2.045 -3.924 -3.751 1.00 0.00 C ATOM 420 CD2 PHE A 29 -3.661 -4.872 -5.222 1.00 0.00 C ATOM 421 CE1 PHE A 29 -1.803 -5.184 -3.218 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.429 -6.118 -4.696 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.501 -6.281 -3.691 1.00 0.00 C ATOM 0 H PHE A 29 -3.525 0.063 -5.553 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.523 -1.533 -4.579 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.053 -1.922 -4.743 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.749 -2.560 -6.347 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.503 -3.068 -3.377 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.390 -4.760 -6.011 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.070 -5.307 -2.434 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.974 -6.972 -5.070 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.319 -7.261 -3.274 1.00 0.00 H new ATOM 433 N PRO A 30 -1.600 -1.690 -7.905 1.00 0.00 N ATOM 434 CA PRO A 30 -0.811 -2.068 -9.081 1.00 0.00 C ATOM 435 C PRO A 30 0.584 -1.446 -9.056 1.00 0.00 C ATOM 436 O PRO A 30 1.581 -2.114 -9.331 1.00 0.00 O ATOM 437 CB PRO A 30 -1.617 -1.519 -10.264 1.00 0.00 C ATOM 438 CG PRO A 30 -2.992 -1.287 -9.738 1.00 0.00 C ATOM 439 CD PRO A 30 -2.841 -0.997 -8.273 1.00 0.00 C ATOM 0 HA PRO A 30 -0.652 -3.145 -9.131 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.180 -0.594 -10.641 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.628 -2.227 -11.093 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.469 -0.453 -10.252 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.622 -2.162 -9.898 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.773 0.074 -8.082 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.692 -1.369 -7.702 1.00 0.00 H new ATOM 447 N LEU A 31 0.649 -0.157 -8.730 1.00 0.00 N ATOM 448 CA LEU A 31 1.924 0.556 -8.680 1.00 0.00 C ATOM 449 C LEU A 31 2.793 0.044 -7.528 1.00 0.00 C ATOM 450 O LEU A 31 3.996 -0.211 -7.682 1.00 0.00 O ATOM 451 CB LEU A 31 1.668 2.060 -8.528 1.00 0.00 C ATOM 452 CG LEU A 31 0.612 2.629 -9.479 1.00 0.00 C ATOM 453 CD1 LEU A 31 -0.037 3.876 -8.894 1.00 0.00 C ATOM 454 CD2 LEU A 31 1.238 2.924 -10.831 1.00 0.00 C ATOM 0 H LEU A 31 -0.163 0.414 -8.497 1.00 0.00 H new ATOM 0 HA LEU A 31 2.461 0.375 -9.611 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.359 2.260 -7.502 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.606 2.592 -8.688 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.173 1.884 -9.613 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.783 4.259 -9.591 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.518 3.626 -7.948 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.725 4.637 -8.724 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.480 3.329 -11.502 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.041 3.651 -10.709 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.643 2.004 -11.253 1.00 0.00 H new ATOM 466 N ILE A 32 2.173 -0.133 -6.378 1.00 0.00 N ATOM 467 CA ILE A 32 2.890 -0.635 -5.220 1.00 0.00 C ATOM 468 C ILE A 32 3.297 -2.073 -5.460 1.00 0.00 C ATOM 469 O ILE A 32 4.410 -2.469 -5.128 1.00 0.00 O ATOM 470 CB ILE A 32 2.053 -0.550 -3.937 1.00 0.00 C ATOM 471 CG1 ILE A 32 2.832 -1.126 -2.758 1.00 0.00 C ATOM 472 CG2 ILE A 32 0.749 -1.290 -4.126 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.814 -0.162 -2.157 1.00 0.00 C ATOM 0 H ILE A 32 1.184 0.061 -6.220 1.00 0.00 H new ATOM 0 HA ILE A 32 3.771 -0.008 -5.083 1.00 0.00 H new ATOM 0 HB ILE A 32 1.834 0.496 -3.723 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.128 -1.442 -1.988 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.366 -2.018 -3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.159 -1.226 -3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.192 -0.842 -4.949 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.954 -2.336 -4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.331 -0.640 -1.325 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.541 0.135 -2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.284 0.720 -1.797 1.00 0.00 H new ATOM 485 N GLN A 33 2.402 -2.855 -6.059 1.00 0.00 N ATOM 486 CA GLN A 33 2.706 -4.243 -6.351 1.00 0.00 C ATOM 487 C GLN A 33 4.098 -4.328 -6.977 1.00 0.00 C ATOM 488 O GLN A 33 4.895 -5.206 -6.651 1.00 0.00 O ATOM 489 CB GLN A 33 1.671 -4.842 -7.307 1.00 0.00 C ATOM 490 CG GLN A 33 1.278 -6.268 -6.955 1.00 0.00 C ATOM 491 CD GLN A 33 -0.225 -6.453 -6.868 1.00 0.00 C ATOM 492 OE1 GLN A 33 -0.896 -5.812 -6.059 1.00 0.00 O ATOM 493 NE2 GLN A 33 -0.764 -7.334 -7.702 1.00 0.00 N ATOM 0 H GLN A 33 1.472 -2.551 -6.347 1.00 0.00 H new ATOM 0 HA GLN A 33 2.678 -4.812 -5.422 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.779 -4.216 -7.304 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.070 -4.823 -8.321 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.681 -6.948 -7.705 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.730 -6.541 -6.001 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.172 -7.844 -8.357 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.770 -7.500 -7.688 1.00 0.00 H new ATOM 502 N ALA A 34 4.365 -3.389 -7.887 1.00 0.00 N ATOM 503 CA ALA A 34 5.644 -3.317 -8.590 1.00 0.00 C ATOM 504 C ALA A 34 6.812 -3.144 -7.628 1.00 0.00 C ATOM 505 O ALA A 34 7.915 -3.636 -7.870 1.00 0.00 O ATOM 506 CB ALA A 34 5.620 -2.178 -9.598 1.00 0.00 C ATOM 0 H ALA A 34 3.703 -2.661 -8.155 1.00 0.00 H new ATOM 0 HA ALA A 34 5.788 -4.262 -9.113 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.577 -2.132 -10.117 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.823 -2.349 -10.321 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.443 -1.236 -9.079 1.00 0.00 H new ATOM 512 N MET A 35 6.563 -2.432 -6.548 1.00 0.00 N ATOM 513 CA MET A 35 7.605 -2.176 -5.545 1.00 0.00 C ATOM 514 C MET A 35 7.488 -3.128 -4.349 1.00 0.00 C ATOM 515 O MET A 35 8.435 -3.842 -4.015 1.00 0.00 O ATOM 516 CB MET A 35 7.542 -0.728 -5.054 1.00 0.00 C ATOM 517 CG MET A 35 6.995 0.253 -6.078 1.00 0.00 C ATOM 518 SD MET A 35 8.113 1.628 -6.400 1.00 0.00 S ATOM 519 CE MET A 35 7.554 2.130 -8.026 1.00 0.00 C ATOM 0 H MET A 35 5.656 -2.017 -6.333 1.00 0.00 H new ATOM 0 HA MET A 35 8.565 -2.351 -6.030 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.921 -0.686 -4.159 1.00 0.00 H new ATOM 0 HB3 MET A 35 8.543 -0.411 -4.762 1.00 0.00 H new ATOM 0 HG2 MET A 35 6.799 -0.275 -7.011 1.00 0.00 H new ATOM 0 HG3 MET A 35 6.040 0.643 -5.726 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.585 3.217 -8.102 1.00 0.00 H new ATOM 0 HE2 MET A 35 8.204 1.695 -8.785 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.532 1.784 -8.182 1.00 0.00 H new ATOM 529 N HIS A 36 6.314 -3.158 -3.731 1.00 0.00 N ATOM 530 CA HIS A 36 6.049 -4.043 -2.598 1.00 0.00 C ATOM 531 C HIS A 36 6.989 -3.801 -1.417 1.00 0.00 C ATOM 532 O HIS A 36 7.555 -4.743 -0.863 1.00 0.00 O ATOM 533 CB HIS A 36 6.145 -5.504 -3.029 1.00 0.00 C ATOM 534 CG HIS A 36 4.820 -6.119 -3.347 1.00 0.00 C ATOM 535 ND1 HIS A 36 4.673 -7.417 -3.786 1.00 0.00 N ATOM 536 CD2 HIS A 36 3.572 -5.605 -3.281 1.00 0.00 C ATOM 537 CE1 HIS A 36 3.391 -7.674 -3.975 1.00 0.00 C ATOM 538 NE2 HIS A 36 2.701 -6.589 -3.675 1.00 0.00 N ATOM 0 H HIS A 36 5.521 -2.574 -3.997 1.00 0.00 H new ATOM 0 HA HIS A 36 5.037 -3.815 -2.263 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.789 -5.575 -3.905 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.622 -6.078 -2.235 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.309 -4.603 -2.974 1.00 0.00 H new ATOM 0 HE1 HIS A 36 2.978 -8.612 -4.317 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.686 -6.497 -3.728 1.00 0.00 H new ATOM 546 N PRO A 37 7.146 -2.545 -0.992 1.00 0.00 N ATOM 547 CA PRO A 37 7.992 -2.216 0.148 1.00 0.00 C ATOM 548 C PRO A 37 7.442 -2.833 1.434 1.00 0.00 C ATOM 549 O PRO A 37 7.995 -3.802 1.955 1.00 0.00 O ATOM 550 CB PRO A 37 7.953 -0.684 0.211 1.00 0.00 C ATOM 551 CG PRO A 37 6.731 -0.288 -0.548 1.00 0.00 C ATOM 552 CD PRO A 37 6.494 -1.367 -1.566 1.00 0.00 C ATOM 0 HA PRO A 37 9.005 -2.604 0.043 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.906 -0.334 1.242 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.849 -0.249 -0.232 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.875 -0.189 0.119 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.871 0.678 -1.032 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.429 -1.538 -1.726 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.923 -1.105 -2.533 1.00 0.00 H new ATOM 560 N THR A 38 6.362 -2.250 1.954 1.00 0.00 N ATOM 561 CA THR A 38 5.751 -2.725 3.197 1.00 0.00 C ATOM 562 C THR A 38 4.567 -3.660 2.936 1.00 0.00 C ATOM 563 O THR A 38 4.560 -4.802 3.394 1.00 0.00 O ATOM 564 CB THR A 38 5.313 -1.541 4.079 1.00 0.00 C ATOM 565 OG1 THR A 38 4.326 -1.948 5.008 1.00 0.00 O ATOM 566 CG2 THR A 38 4.749 -0.361 3.309 1.00 0.00 C ATOM 0 H THR A 38 5.892 -1.448 1.534 1.00 0.00 H new ATOM 0 HA THR A 38 6.512 -3.298 3.727 1.00 0.00 H new ATOM 0 HB THR A 38 6.228 -1.216 4.573 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.061 -1.183 5.560 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.466 0.427 4.007 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.504 0.018 2.620 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.872 -0.680 2.746 1.00 0.00 H new ATOM 574 N LEU A 39 3.570 -3.168 2.208 1.00 0.00 N ATOM 575 CA LEU A 39 2.380 -3.958 1.897 1.00 0.00 C ATOM 576 C LEU A 39 1.519 -3.243 0.861 1.00 0.00 C ATOM 577 O LEU A 39 0.900 -2.225 1.159 1.00 0.00 O ATOM 578 CB LEU A 39 1.550 -4.204 3.160 1.00 0.00 C ATOM 579 CG LEU A 39 1.850 -5.510 3.905 1.00 0.00 C ATOM 580 CD1 LEU A 39 2.033 -5.244 5.393 1.00 0.00 C ATOM 581 CD2 LEU A 39 0.737 -6.525 3.681 1.00 0.00 C ATOM 0 H LEU A 39 3.561 -2.224 1.821 1.00 0.00 H new ATOM 0 HA LEU A 39 2.710 -4.915 1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.708 -3.371 3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.495 -4.196 2.887 1.00 0.00 H new ATOM 0 HG LEU A 39 2.777 -5.924 3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.245 -6.182 5.907 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.864 -4.554 5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.121 -4.806 5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.970 -7.444 4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.205 -6.119 4.048 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.649 -6.739 2.616 1.00 0.00 H new ATOM 593 N ALA A 40 1.477 -3.777 -0.352 1.00 0.00 N ATOM 594 CA ALA A 40 0.688 -3.181 -1.427 1.00 0.00 C ATOM 595 C ALA A 40 -0.789 -3.058 -1.069 1.00 0.00 C ATOM 596 O ALA A 40 -1.386 -1.997 -1.260 1.00 0.00 O ATOM 597 CB ALA A 40 0.927 -3.950 -2.712 1.00 0.00 C ATOM 0 H ALA A 40 1.980 -4.623 -0.619 1.00 0.00 H new ATOM 0 HA ALA A 40 1.021 -2.154 -1.579 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.339 -3.507 -3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.985 -3.907 -2.970 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.629 -4.989 -2.575 1.00 0.00 H new ATOM 603 N GLY A 41 -1.390 -4.117 -0.554 1.00 0.00 N ATOM 604 CA GLY A 41 -2.794 -4.037 -0.195 1.00 0.00 C ATOM 605 C GLY A 41 -3.078 -2.903 0.781 1.00 0.00 C ATOM 606 O GLY A 41 -3.950 -2.068 0.542 1.00 0.00 O ATOM 0 H GLY A 41 -0.943 -5.017 -0.379 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.390 -3.895 -1.097 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.108 -4.982 0.248 1.00 0.00 H new ATOM 610 N LYS A 42 -2.343 -2.892 1.884 1.00 0.00 N ATOM 611 CA LYS A 42 -2.515 -1.873 2.922 1.00 0.00 C ATOM 612 C LYS A 42 -1.987 -0.501 2.486 1.00 0.00 C ATOM 613 O LYS A 42 -2.588 0.530 2.793 1.00 0.00 O ATOM 614 CB LYS A 42 -1.827 -2.311 4.216 1.00 0.00 C ATOM 615 CG LYS A 42 -2.798 -2.855 5.251 1.00 0.00 C ATOM 616 CD LYS A 42 -2.616 -2.184 6.604 1.00 0.00 C ATOM 617 CE LYS A 42 -3.498 -0.953 6.749 1.00 0.00 C ATOM 618 NZ LYS A 42 -4.949 -1.295 6.725 1.00 0.00 N ATOM 0 H LYS A 42 -1.617 -3.579 2.088 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.586 -1.770 3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.085 -3.075 3.985 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.290 -1.463 4.640 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.820 -2.704 4.905 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.653 -3.930 5.356 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.851 -2.895 7.396 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.571 -1.899 6.731 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.261 -0.446 7.685 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.278 -0.253 5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.439 -0.683 6.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.067 -2.290 6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.355 -1.152 7.672 1.00 0.00 H new ATOM 632 N ILE A 43 -0.864 -0.486 1.772 1.00 0.00 N ATOM 633 CA ILE A 43 -0.278 0.770 1.309 1.00 0.00 C ATOM 634 C ILE A 43 -1.298 1.580 0.515 1.00 0.00 C ATOM 635 O ILE A 43 -1.460 2.781 0.720 1.00 0.00 O ATOM 636 CB ILE A 43 0.984 0.519 0.438 1.00 0.00 C ATOM 637 CG1 ILE A 43 1.936 1.710 0.496 1.00 0.00 C ATOM 638 CG2 ILE A 43 0.618 0.217 -1.010 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.393 1.302 0.588 1.00 0.00 C ATOM 0 H ILE A 43 -0.345 -1.322 1.503 1.00 0.00 H new ATOM 0 HA ILE A 43 0.019 1.336 2.192 1.00 0.00 H new ATOM 0 HB ILE A 43 1.487 -0.355 0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.793 2.326 -0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.683 2.328 1.357 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.527 0.047 -1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.008 -0.674 -1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.073 1.062 -1.431 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.019 2.194 0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.549 0.711 1.490 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.660 0.708 -0.286 1.00 0.00 H new ATOM 651 N THR A 44 -1.980 0.899 -0.396 1.00 0.00 N ATOM 652 CA THR A 44 -2.982 1.527 -1.247 1.00 0.00 C ATOM 653 C THR A 44 -3.955 2.362 -0.427 1.00 0.00 C ATOM 654 O THR A 44 -4.261 3.499 -0.781 1.00 0.00 O ATOM 655 CB THR A 44 -3.732 0.461 -2.047 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.834 -0.264 -2.869 1.00 0.00 O ATOM 657 CG2 THR A 44 -4.813 1.027 -2.939 1.00 0.00 C ATOM 0 H THR A 44 -1.855 -0.099 -0.566 1.00 0.00 H new ATOM 0 HA THR A 44 -2.472 2.196 -1.940 1.00 0.00 H new ATOM 0 HB THR A 44 -4.202 -0.182 -1.303 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.334 -0.904 -2.321 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.303 0.215 -3.476 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.547 1.555 -2.331 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.369 1.719 -3.654 1.00 0.00 H new ATOM 665 N GLY A 45 -4.443 1.795 0.667 1.00 0.00 N ATOM 666 CA GLY A 45 -5.377 2.517 1.512 1.00 0.00 C ATOM 667 C GLY A 45 -4.823 3.846 1.975 1.00 0.00 C ATOM 668 O GLY A 45 -5.549 4.836 2.060 1.00 0.00 O ATOM 0 H GLY A 45 -4.212 0.854 0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.305 2.683 0.965 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.624 1.907 2.380 1.00 0.00 H new ATOM 672 N MET A 46 -3.531 3.866 2.267 1.00 0.00 N ATOM 673 CA MET A 46 -2.873 5.077 2.724 1.00 0.00 C ATOM 674 C MET A 46 -2.685 6.062 1.585 1.00 0.00 C ATOM 675 O MET A 46 -3.092 7.218 1.685 1.00 0.00 O ATOM 676 CB MET A 46 -1.525 4.740 3.356 1.00 0.00 C ATOM 677 CG MET A 46 -1.638 4.269 4.796 1.00 0.00 C ATOM 678 SD MET A 46 -2.326 2.606 4.935 1.00 0.00 S ATOM 679 CE MET A 46 -2.149 2.308 6.694 1.00 0.00 C ATOM 0 H MET A 46 -2.918 3.054 2.195 1.00 0.00 H new ATOM 0 HA MET A 46 -3.511 5.544 3.474 1.00 0.00 H new ATOM 0 HB2 MET A 46 -1.038 3.965 2.765 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.883 5.620 3.318 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.651 4.289 5.259 1.00 0.00 H new ATOM 0 HG3 MET A 46 -2.265 4.965 5.353 1.00 0.00 H new ATOM 0 HE1 MET A 46 -1.589 1.386 6.852 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.615 3.140 7.152 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.135 2.216 7.148 1.00 0.00 H new ATOM 689 N LEU A 47 -2.049 5.614 0.508 1.00 0.00 N ATOM 690 CA LEU A 47 -1.803 6.482 -0.623 1.00 0.00 C ATOM 691 C LEU A 47 -3.116 7.023 -1.170 1.00 0.00 C ATOM 692 O LEU A 47 -3.128 8.028 -1.879 1.00 0.00 O ATOM 693 CB LEU A 47 -1.044 5.739 -1.721 1.00 0.00 C ATOM 694 CG LEU A 47 0.381 5.293 -1.390 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.402 6.332 -1.855 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.565 4.990 0.085 1.00 0.00 C ATOM 0 H LEU A 47 -1.699 4.662 0.400 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.190 7.317 -0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.621 4.856 -1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.004 6.381 -2.601 1.00 0.00 H new ATOM 0 HG LEU A 47 0.553 4.364 -1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.407 5.990 -1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.319 6.466 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.208 7.281 -1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.593 4.678 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.348 5.884 0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.114 4.190 0.380 1.00 0.00 H new ATOM 708 N LEU A 48 -4.227 6.342 -0.867 1.00 0.00 N ATOM 709 CA LEU A 48 -5.544 6.758 -1.363 1.00 0.00 C ATOM 710 C LEU A 48 -5.959 8.148 -0.857 1.00 0.00 C ATOM 711 O LEU A 48 -7.148 8.465 -0.824 1.00 0.00 O ATOM 712 CB LEU A 48 -6.611 5.723 -0.963 1.00 0.00 C ATOM 713 CG LEU A 48 -7.272 4.972 -2.130 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.378 3.851 -2.613 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.624 4.404 -1.729 1.00 0.00 C ATOM 0 H LEU A 48 -4.241 5.505 -0.284 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.467 6.818 -2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.152 4.993 -0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.389 6.230 -0.393 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.423 5.689 -2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.862 3.330 -3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.427 4.264 -2.951 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.200 3.150 -1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.064 3.879 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.495 3.709 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.283 5.216 -1.423 1.00 0.00 H new ATOM 727 N GLU A 49 -4.989 8.974 -0.476 1.00 0.00 N ATOM 728 CA GLU A 49 -5.265 10.319 0.009 1.00 0.00 C ATOM 729 C GLU A 49 -5.638 11.253 -1.146 1.00 0.00 C ATOM 730 O GLU A 49 -6.112 12.367 -0.923 1.00 0.00 O ATOM 731 CB GLU A 49 -4.029 10.855 0.736 1.00 0.00 C ATOM 732 CG GLU A 49 -4.343 11.897 1.794 1.00 0.00 C ATOM 733 CD GLU A 49 -3.628 13.213 1.549 1.00 0.00 C ATOM 734 OE1 GLU A 49 -3.470 13.594 0.370 1.00 0.00 O ATOM 735 OE2 GLU A 49 -3.224 13.862 2.536 1.00 0.00 O ATOM 0 H GLU A 49 -3.998 8.731 -0.495 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.110 10.278 0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.505 10.022 1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.348 11.288 0.004 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.419 12.072 1.818 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.060 11.511 2.773 1.00 0.00 H new ATOM 742 N ILE A 50 -5.401 10.798 -2.377 1.00 0.00 N ATOM 743 CA ILE A 50 -5.692 11.594 -3.567 1.00 0.00 C ATOM 744 C ILE A 50 -6.889 11.022 -4.352 1.00 0.00 C ATOM 745 O ILE A 50 -7.380 9.938 -4.037 1.00 0.00 O ATOM 746 CB ILE A 50 -4.432 11.682 -4.462 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.477 12.898 -5.399 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.246 10.400 -5.251 1.00 0.00 C ATOM 749 CD1 ILE A 50 -4.984 14.169 -4.749 1.00 0.00 C ATOM 0 H ILE A 50 -5.007 9.878 -2.575 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.969 12.599 -3.248 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.573 11.813 -3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.475 13.078 -5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.113 12.661 -6.252 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.355 10.482 -5.874 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.132 9.563 -4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.117 10.233 -5.884 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.983 14.977 -5.480 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.999 14.011 -4.384 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.335 14.435 -3.914 1.00 0.00 H new ATOM 761 N ASP A 51 -7.338 11.747 -5.383 1.00 0.00 N ATOM 762 CA ASP A 51 -8.454 11.310 -6.234 1.00 0.00 C ATOM 763 C ASP A 51 -8.043 10.183 -7.184 1.00 0.00 C ATOM 764 O ASP A 51 -6.918 10.165 -7.684 1.00 0.00 O ATOM 765 CB ASP A 51 -8.988 12.491 -7.045 1.00 0.00 C ATOM 766 CG ASP A 51 -9.310 13.692 -6.176 1.00 0.00 C ATOM 767 OD1 ASP A 51 -9.268 13.557 -4.935 1.00 0.00 O ATOM 768 OD2 ASP A 51 -9.604 14.768 -6.739 1.00 0.00 O ATOM 0 H ASP A 51 -6.942 12.648 -5.651 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.234 10.927 -5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.250 12.776 -7.795 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.885 12.183 -7.582 1.00 0.00 H new ATOM 773 N ASN A 52 -8.964 9.255 -7.453 1.00 0.00 N ATOM 774 CA ASN A 52 -8.687 8.144 -8.371 1.00 0.00 C ATOM 775 C ASN A 52 -8.061 8.646 -9.682 1.00 0.00 C ATOM 776 O ASN A 52 -7.403 7.888 -10.393 1.00 0.00 O ATOM 777 CB ASN A 52 -9.972 7.363 -8.683 1.00 0.00 C ATOM 778 CG ASN A 52 -9.695 6.051 -9.409 1.00 0.00 C ATOM 779 OD1 ASN A 52 -8.540 5.688 -9.632 1.00 0.00 O ATOM 780 ND2 ASN A 52 -10.758 5.335 -9.782 1.00 0.00 N ATOM 0 H ASN A 52 -9.902 9.249 -7.052 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.976 7.483 -7.876 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.502 7.155 -7.753 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.630 7.981 -9.294 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.630 4.450 -10.272 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -11.698 5.673 -9.577 1.00 0.00 H new ATOM 787 N SER A 53 -8.295 9.919 -10.010 1.00 0.00 N ATOM 788 CA SER A 53 -7.773 10.504 -11.248 1.00 0.00 C ATOM 789 C SER A 53 -6.268 10.770 -11.184 1.00 0.00 C ATOM 790 O SER A 53 -5.569 10.665 -12.193 1.00 0.00 O ATOM 791 CB SER A 53 -8.511 11.803 -11.568 1.00 0.00 C ATOM 792 OG SER A 53 -9.618 11.566 -12.420 1.00 0.00 O ATOM 0 H SER A 53 -8.841 10.563 -9.438 1.00 0.00 H new ATOM 0 HA SER A 53 -7.942 9.774 -12.039 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.853 12.267 -10.643 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.827 12.506 -12.043 1.00 0.00 H new ATOM 0 HG SER A 53 -10.074 12.413 -12.608 1.00 0.00 H new ATOM 798 N GLU A 54 -5.767 11.114 -10.003 1.00 0.00 N ATOM 799 CA GLU A 54 -4.342 11.393 -9.843 1.00 0.00 C ATOM 800 C GLU A 54 -3.534 10.104 -9.831 1.00 0.00 C ATOM 801 O GLU A 54 -2.488 10.004 -10.470 1.00 0.00 O ATOM 802 CB GLU A 54 -4.090 12.175 -8.552 1.00 0.00 C ATOM 803 CG GLU A 54 -2.619 12.458 -8.282 1.00 0.00 C ATOM 804 CD GLU A 54 -2.156 13.769 -8.883 1.00 0.00 C ATOM 805 OE1 GLU A 54 -3.021 14.584 -9.270 1.00 0.00 O ATOM 806 OE2 GLU A 54 -0.928 13.984 -8.964 1.00 0.00 O ATOM 0 H GLU A 54 -6.318 11.206 -9.150 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.022 11.997 -10.692 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.629 13.121 -8.600 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.503 11.615 -7.713 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.448 12.476 -7.206 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.017 11.645 -8.687 1.00 0.00 H new ATOM 813 N LEU A 55 -4.026 9.119 -9.097 1.00 0.00 N ATOM 814 CA LEU A 55 -3.350 7.838 -8.999 1.00 0.00 C ATOM 815 C LEU A 55 -3.260 7.172 -10.366 1.00 0.00 C ATOM 816 O LEU A 55 -2.337 6.403 -10.630 1.00 0.00 O ATOM 817 CB LEU A 55 -4.068 6.963 -7.979 1.00 0.00 C ATOM 818 CG LEU A 55 -4.446 7.710 -6.693 1.00 0.00 C ATOM 819 CD1 LEU A 55 -5.939 7.619 -6.426 1.00 0.00 C ATOM 820 CD2 LEU A 55 -3.668 7.184 -5.498 1.00 0.00 C ATOM 0 H LEU A 55 -4.891 9.183 -8.561 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.327 7.988 -8.655 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.972 6.556 -8.433 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.430 6.117 -7.724 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.183 8.758 -6.838 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.178 8.157 -5.509 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.485 8.061 -7.259 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.226 6.573 -6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.959 7.734 -4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.886 6.125 -5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.600 7.315 -5.673 1.00 0.00 H new ATOM 832 N LEU A 56 -4.195 7.508 -11.248 1.00 0.00 N ATOM 833 CA LEU A 56 -4.174 6.971 -12.602 1.00 0.00 C ATOM 834 C LEU A 56 -2.971 7.543 -13.348 1.00 0.00 C ATOM 835 O LEU A 56 -2.278 6.835 -14.077 1.00 0.00 O ATOM 836 CB LEU A 56 -5.472 7.302 -13.337 1.00 0.00 C ATOM 837 CG LEU A 56 -6.655 6.392 -12.993 1.00 0.00 C ATOM 838 CD1 LEU A 56 -7.972 7.063 -13.352 1.00 0.00 C ATOM 839 CD2 LEU A 56 -6.524 5.054 -13.703 1.00 0.00 C ATOM 0 H LEU A 56 -4.969 8.143 -11.052 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.088 5.885 -12.557 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.747 8.333 -13.113 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.290 7.247 -14.410 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.647 6.212 -11.918 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.799 6.399 -13.100 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.070 7.994 -12.794 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.992 7.277 -14.421 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.374 4.421 -13.446 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.504 5.215 -14.781 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.601 4.566 -13.392 1.00 0.00 H new ATOM 851 N HIS A 57 -2.733 8.839 -13.143 1.00 0.00 N ATOM 852 CA HIS A 57 -1.615 9.534 -13.778 1.00 0.00 C ATOM 853 C HIS A 57 -0.288 8.861 -13.433 1.00 0.00 C ATOM 854 O HIS A 57 0.596 8.738 -14.280 1.00 0.00 O ATOM 855 CB HIS A 57 -1.575 11.000 -13.336 1.00 0.00 C ATOM 856 CG HIS A 57 -2.626 11.858 -13.972 1.00 0.00 C ATOM 857 ND1 HIS A 57 -3.073 11.674 -15.264 1.00 0.00 N ATOM 858 CD2 HIS A 57 -3.318 12.917 -13.487 1.00 0.00 C ATOM 859 CE1 HIS A 57 -3.992 12.582 -15.547 1.00 0.00 C ATOM 860 NE2 HIS A 57 -4.159 13.347 -14.484 1.00 0.00 N ATOM 0 H HIS A 57 -3.303 9.430 -12.539 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.763 9.487 -14.857 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.690 11.045 -12.253 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.594 11.413 -13.570 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.225 13.344 -12.499 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.516 12.681 -16.486 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -4.808 14.131 -14.414 1.00 0.00 H new ATOM 868 N MET A 58 -0.155 8.425 -12.181 1.00 0.00 N ATOM 869 CA MET A 58 1.063 7.760 -11.727 1.00 0.00 C ATOM 870 C MET A 58 1.357 6.534 -12.586 1.00 0.00 C ATOM 871 O MET A 58 2.484 6.322 -13.034 1.00 0.00 O ATOM 872 CB MET A 58 0.921 7.344 -10.261 1.00 0.00 C ATOM 873 CG MET A 58 0.756 8.511 -9.300 1.00 0.00 C ATOM 874 SD MET A 58 0.093 7.994 -7.703 1.00 0.00 S ATOM 875 CE MET A 58 -1.046 9.332 -7.357 1.00 0.00 C ATOM 0 H MET A 58 -0.875 8.521 -11.465 1.00 0.00 H new ATOM 0 HA MET A 58 1.893 8.461 -11.822 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.061 6.682 -10.164 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.800 6.769 -9.970 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.721 8.995 -9.151 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.092 9.253 -9.744 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.800 9.780 -6.394 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.968 10.087 -8.139 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.064 8.944 -7.327 1.00 0.00 H new ATOM 885 N LEU A 59 0.325 5.727 -12.805 1.00 0.00 N ATOM 886 CA LEU A 59 0.456 4.511 -13.601 1.00 0.00 C ATOM 887 C LEU A 59 0.906 4.837 -15.025 1.00 0.00 C ATOM 888 O LEU A 59 1.491 3.996 -15.708 1.00 0.00 O ATOM 889 CB LEU A 59 -0.883 3.756 -13.619 1.00 0.00 C ATOM 890 CG LEU A 59 -1.101 2.805 -14.802 1.00 0.00 C ATOM 891 CD1 LEU A 59 -1.547 1.433 -14.317 1.00 0.00 C ATOM 892 CD2 LEU A 59 -2.118 3.390 -15.773 1.00 0.00 C ATOM 0 H LEU A 59 -0.614 5.893 -12.442 1.00 0.00 H new ATOM 0 HA LEU A 59 1.217 3.877 -13.147 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.966 3.182 -12.696 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.691 4.488 -13.613 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.153 2.686 -15.326 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.696 0.775 -15.173 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.783 1.012 -13.664 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.483 1.528 -13.766 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.262 2.703 -16.607 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.067 3.540 -15.259 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.754 4.346 -16.149 1.00 0.00 H new ATOM 904 N GLU A 60 0.646 6.061 -15.467 1.00 0.00 N ATOM 905 CA GLU A 60 1.043 6.481 -16.805 1.00 0.00 C ATOM 906 C GLU A 60 2.394 7.193 -16.779 1.00 0.00 C ATOM 907 O GLU A 60 3.018 7.397 -17.821 1.00 0.00 O ATOM 908 CB GLU A 60 -0.020 7.399 -17.410 1.00 0.00 C ATOM 909 CG GLU A 60 -1.387 6.749 -17.529 1.00 0.00 C ATOM 910 CD GLU A 60 -2.056 7.038 -18.857 1.00 0.00 C ATOM 911 OE1 GLU A 60 -1.459 6.711 -19.905 1.00 0.00 O ATOM 912 OE2 GLU A 60 -3.176 7.590 -18.852 1.00 0.00 O ATOM 0 H GLU A 60 0.165 6.777 -14.922 1.00 0.00 H new ATOM 0 HA GLU A 60 1.138 5.589 -17.424 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.105 8.296 -16.797 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.308 7.719 -18.399 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.285 5.671 -17.405 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.026 7.104 -16.720 1.00 0.00 H new ATOM 919 N SER A 61 2.843 7.571 -15.584 1.00 0.00 N ATOM 920 CA SER A 61 4.120 8.261 -15.434 1.00 0.00 C ATOM 921 C SER A 61 4.838 7.831 -14.151 1.00 0.00 C ATOM 922 O SER A 61 4.546 8.338 -13.069 1.00 0.00 O ATOM 923 CB SER A 61 3.901 9.776 -15.428 1.00 0.00 C ATOM 924 OG SER A 61 4.120 10.336 -16.714 1.00 0.00 O ATOM 0 H SER A 61 2.343 7.411 -14.709 1.00 0.00 H new ATOM 0 HA SER A 61 4.750 7.990 -16.281 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.885 9.997 -15.102 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.575 10.240 -14.708 1.00 0.00 H new ATOM 0 HG SER A 61 3.971 11.304 -16.679 1.00 0.00 H new ATOM 930 N PRO A 62 5.791 6.884 -14.256 1.00 0.00 N ATOM 931 CA PRO A 62 6.548 6.392 -13.097 1.00 0.00 C ATOM 932 C PRO A 62 7.178 7.520 -12.281 1.00 0.00 C ATOM 933 O PRO A 62 7.391 7.383 -11.076 1.00 0.00 O ATOM 934 CB PRO A 62 7.637 5.524 -13.727 1.00 0.00 C ATOM 935 CG PRO A 62 7.063 5.083 -15.028 1.00 0.00 C ATOM 936 CD PRO A 62 6.204 6.220 -15.507 1.00 0.00 C ATOM 0 HA PRO A 62 5.906 5.860 -12.395 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.559 6.088 -13.872 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.881 4.672 -13.092 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.851 4.860 -15.747 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.475 4.173 -14.907 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.758 6.897 -16.157 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.345 5.863 -16.076 1.00 0.00 H new ATOM 944 N GLU A 63 7.483 8.630 -12.947 1.00 0.00 N ATOM 945 CA GLU A 63 8.100 9.779 -12.288 1.00 0.00 C ATOM 946 C GLU A 63 7.263 10.263 -11.109 1.00 0.00 C ATOM 947 O GLU A 63 7.735 10.303 -9.972 1.00 0.00 O ATOM 948 CB GLU A 63 8.306 10.924 -13.285 1.00 0.00 C ATOM 949 CG GLU A 63 7.111 11.175 -14.191 1.00 0.00 C ATOM 950 CD GLU A 63 6.380 12.460 -13.850 1.00 0.00 C ATOM 951 OE1 GLU A 63 7.049 13.434 -13.443 1.00 0.00 O ATOM 952 OE2 GLU A 63 5.138 12.492 -13.987 1.00 0.00 O ATOM 0 H GLU A 63 7.313 8.759 -13.944 1.00 0.00 H new ATOM 0 HA GLU A 63 9.069 9.457 -11.908 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.529 11.837 -12.733 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.177 10.703 -13.902 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.448 11.217 -15.227 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.419 10.336 -14.114 1.00 0.00 H new ATOM 959 N SER A 64 6.019 10.629 -11.387 1.00 0.00 N ATOM 960 CA SER A 64 5.109 11.106 -10.354 1.00 0.00 C ATOM 961 C SER A 64 4.664 9.944 -9.482 1.00 0.00 C ATOM 962 O SER A 64 4.408 10.101 -8.288 1.00 0.00 O ATOM 963 CB SER A 64 3.899 11.792 -10.997 1.00 0.00 C ATOM 964 OG SER A 64 3.449 12.884 -10.212 1.00 0.00 O ATOM 0 H SER A 64 5.615 10.604 -12.323 1.00 0.00 H new ATOM 0 HA SER A 64 5.626 11.833 -9.728 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.165 12.143 -11.994 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.091 11.071 -11.118 1.00 0.00 H new ATOM 0 HG SER A 64 2.678 13.304 -10.647 1.00 0.00 H new ATOM 970 N LEU A 65 4.568 8.774 -10.101 1.00 0.00 N ATOM 971 CA LEU A 65 4.147 7.572 -9.405 1.00 0.00 C ATOM 972 C LEU A 65 5.047 7.296 -8.209 1.00 0.00 C ATOM 973 O LEU A 65 4.570 7.230 -7.076 1.00 0.00 O ATOM 974 CB LEU A 65 4.165 6.383 -10.373 1.00 0.00 C ATOM 975 CG LEU A 65 4.035 4.985 -9.754 1.00 0.00 C ATOM 976 CD1 LEU A 65 5.399 4.445 -9.348 1.00 0.00 C ATOM 977 CD2 LEU A 65 3.080 4.980 -8.566 1.00 0.00 C ATOM 0 H LEU A 65 4.778 8.635 -11.089 1.00 0.00 H new ATOM 0 HA LEU A 65 3.132 7.718 -9.036 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.353 6.515 -11.088 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.096 6.419 -10.938 1.00 0.00 H new ATOM 0 HG LEU A 65 3.615 4.329 -10.516 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.282 3.453 -8.912 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.041 4.382 -10.226 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.851 5.113 -8.615 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.015 3.972 -8.156 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.449 5.661 -7.799 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.092 5.303 -8.892 1.00 0.00 H new ATOM 989 N ARG A 66 6.339 7.140 -8.454 1.00 0.00 N ATOM 990 CA ARG A 66 7.276 6.871 -7.371 1.00 0.00 C ATOM 991 C ARG A 66 7.248 7.989 -6.338 1.00 0.00 C ATOM 992 O ARG A 66 7.461 7.756 -5.151 1.00 0.00 O ATOM 993 CB ARG A 66 8.698 6.705 -7.918 1.00 0.00 C ATOM 994 CG ARG A 66 9.719 6.290 -6.868 1.00 0.00 C ATOM 995 CD ARG A 66 10.512 7.482 -6.353 1.00 0.00 C ATOM 996 NE ARG A 66 11.290 8.127 -7.409 1.00 0.00 N ATOM 997 CZ ARG A 66 12.379 7.595 -7.959 1.00 0.00 C ATOM 998 NH1 ARG A 66 12.824 6.411 -7.560 1.00 0.00 N ATOM 999 NH2 ARG A 66 13.027 8.250 -8.912 1.00 0.00 N ATOM 0 H ARG A 66 6.760 7.194 -9.381 1.00 0.00 H new ATOM 0 HA ARG A 66 6.971 5.943 -6.888 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.686 5.960 -8.713 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.016 7.646 -8.368 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.209 5.805 -6.036 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.402 5.555 -7.295 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.828 8.208 -5.913 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.183 7.154 -5.559 1.00 0.00 H new ATOM 0 HE ARG A 66 10.980 9.039 -7.744 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.331 5.901 -6.827 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.659 6.010 -7.986 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.691 9.161 -9.223 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.862 7.843 -9.334 1.00 0.00 H new ATOM 1013 N SER A 67 6.980 9.199 -6.799 1.00 0.00 N ATOM 1014 CA SER A 67 6.923 10.355 -5.917 1.00 0.00 C ATOM 1015 C SER A 67 5.965 10.122 -4.752 1.00 0.00 C ATOM 1016 O SER A 67 6.280 10.431 -3.609 1.00 0.00 O ATOM 1017 CB SER A 67 6.496 11.592 -6.709 1.00 0.00 C ATOM 1018 OG SER A 67 7.501 12.590 -6.681 1.00 0.00 O ATOM 0 H SER A 67 6.798 9.408 -7.781 1.00 0.00 H new ATOM 0 HA SER A 67 7.919 10.514 -5.503 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.287 11.312 -7.741 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.571 11.992 -6.293 1.00 0.00 H new ATOM 0 HG SER A 67 7.203 13.369 -7.196 1.00 0.00 H new ATOM 1024 N LYS A 68 4.789 9.589 -5.053 1.00 0.00 N ATOM 1025 CA LYS A 68 3.775 9.334 -4.033 1.00 0.00 C ATOM 1026 C LYS A 68 4.086 8.073 -3.225 1.00 0.00 C ATOM 1027 O LYS A 68 4.060 8.095 -1.993 1.00 0.00 O ATOM 1028 CB LYS A 68 2.395 9.225 -4.685 1.00 0.00 C ATOM 1029 CG LYS A 68 2.172 10.235 -5.806 1.00 0.00 C ATOM 1030 CD LYS A 68 1.783 11.601 -5.261 1.00 0.00 C ATOM 1031 CE LYS A 68 0.672 12.238 -6.084 1.00 0.00 C ATOM 1032 NZ LYS A 68 1.205 13.039 -7.222 1.00 0.00 N ATOM 0 H LYS A 68 4.511 9.323 -5.998 1.00 0.00 H new ATOM 0 HA LYS A 68 3.780 10.174 -3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.268 8.218 -5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.629 9.365 -3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.081 10.326 -6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.390 9.872 -6.473 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.458 11.501 -4.226 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.655 12.254 -5.259 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.013 11.459 -6.467 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.068 12.879 -5.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.417 13.356 -7.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.715 13.868 -6.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.855 12.454 -7.784 1.00 0.00 H new ATOM 1046 N VAL A 69 4.384 6.977 -3.917 1.00 0.00 N ATOM 1047 CA VAL A 69 4.701 5.712 -3.253 1.00 0.00 C ATOM 1048 C VAL A 69 5.856 5.885 -2.276 1.00 0.00 C ATOM 1049 O VAL A 69 5.741 5.561 -1.096 1.00 0.00 O ATOM 1050 CB VAL A 69 5.100 4.626 -4.270 1.00 0.00 C ATOM 1051 CG1 VAL A 69 5.171 3.261 -3.600 1.00 0.00 C ATOM 1052 CG2 VAL A 69 4.132 4.605 -5.439 1.00 0.00 C ATOM 0 H VAL A 69 4.413 6.937 -4.936 1.00 0.00 H new ATOM 0 HA VAL A 69 3.800 5.405 -2.722 1.00 0.00 H new ATOM 0 HB VAL A 69 6.091 4.866 -4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.454 2.509 -4.336 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.913 3.286 -2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.196 3.010 -3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.432 3.831 -6.146 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.126 4.394 -5.075 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.142 5.575 -5.937 1.00 0.00 H new ATOM 1062 N ASP A 70 6.965 6.407 -2.782 1.00 0.00 N ATOM 1063 CA ASP A 70 8.154 6.629 -1.960 1.00 0.00 C ATOM 1064 C ASP A 70 7.786 7.375 -0.686 1.00 0.00 C ATOM 1065 O ASP A 70 8.091 6.931 0.419 1.00 0.00 O ATOM 1066 CB ASP A 70 9.219 7.413 -2.739 1.00 0.00 C ATOM 1067 CG ASP A 70 10.609 6.833 -2.562 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.748 5.594 -2.631 1.00 0.00 O ATOM 1069 OD2 ASP A 70 11.557 7.618 -2.354 1.00 0.00 O ATOM 0 H ASP A 70 7.069 6.686 -3.758 1.00 0.00 H new ATOM 0 HA ASP A 70 8.568 5.656 -1.694 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.962 7.416 -3.798 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.217 8.451 -2.408 1.00 0.00 H new ATOM 1074 N GLU A 71 7.128 8.514 -0.852 1.00 0.00 N ATOM 1075 CA GLU A 71 6.716 9.327 0.285 1.00 0.00 C ATOM 1076 C GLU A 71 5.952 8.492 1.299 1.00 0.00 C ATOM 1077 O GLU A 71 6.326 8.418 2.468 1.00 0.00 O ATOM 1078 CB GLU A 71 5.862 10.501 -0.187 1.00 0.00 C ATOM 1079 CG GLU A 71 6.655 11.577 -0.925 1.00 0.00 C ATOM 1080 CD GLU A 71 8.000 11.882 -0.295 1.00 0.00 C ATOM 1081 OE1 GLU A 71 8.921 11.049 -0.425 1.00 0.00 O ATOM 1082 OE2 GLU A 71 8.134 12.961 0.318 1.00 0.00 O ATOM 0 H GLU A 71 6.868 8.896 -1.761 1.00 0.00 H new ATOM 0 HA GLU A 71 7.611 9.716 0.770 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.076 10.127 -0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.370 10.951 0.675 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.810 11.259 -1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.064 12.492 -0.960 1.00 0.00 H new ATOM 1089 N ALA A 72 4.879 7.858 0.857 1.00 0.00 N ATOM 1090 CA ALA A 72 4.080 7.029 1.745 1.00 0.00 C ATOM 1091 C ALA A 72 4.947 6.035 2.498 1.00 0.00 C ATOM 1092 O ALA A 72 4.770 5.830 3.696 1.00 0.00 O ATOM 1093 CB ALA A 72 3.020 6.305 0.960 1.00 0.00 C ATOM 0 H ALA A 72 4.542 7.900 -0.105 1.00 0.00 H new ATOM 0 HA ALA A 72 3.602 7.679 2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.427 5.687 1.634 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.372 7.031 0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.492 5.672 0.208 1.00 0.00 H new ATOM 1099 N VAL A 73 5.897 5.423 1.797 1.00 0.00 N ATOM 1100 CA VAL A 73 6.785 4.462 2.436 1.00 0.00 C ATOM 1101 C VAL A 73 7.397 5.084 3.681 1.00 0.00 C ATOM 1102 O VAL A 73 7.598 4.416 4.689 1.00 0.00 O ATOM 1103 CB VAL A 73 7.914 3.988 1.499 1.00 0.00 C ATOM 1104 CG1 VAL A 73 8.703 2.857 2.148 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.351 3.550 0.156 1.00 0.00 C ATOM 0 H VAL A 73 6.069 5.573 0.803 1.00 0.00 H new ATOM 0 HA VAL A 73 6.184 3.591 2.696 1.00 0.00 H new ATOM 0 HB VAL A 73 8.591 4.824 1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.496 2.533 1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.141 3.208 3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.037 2.019 2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.165 3.220 -0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.650 2.729 0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.834 4.387 -0.312 1.00 0.00 H new ATOM 1115 N ALA A 74 7.669 6.380 3.609 1.00 0.00 N ATOM 1116 CA ALA A 74 8.234 7.100 4.740 1.00 0.00 C ATOM 1117 C ALA A 74 7.180 7.319 5.824 1.00 0.00 C ATOM 1118 O ALA A 74 7.370 6.918 6.973 1.00 0.00 O ATOM 1119 CB ALA A 74 8.832 8.422 4.287 1.00 0.00 C ATOM 0 H ALA A 74 7.508 6.953 2.780 1.00 0.00 H new ATOM 0 HA ALA A 74 9.034 6.495 5.167 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.250 8.946 5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.621 8.234 3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.055 9.035 3.830 1.00 0.00 H new ATOM 1125 N VAL A 75 6.067 7.960 5.455 1.00 0.00 N ATOM 1126 CA VAL A 75 4.990 8.228 6.406 1.00 0.00 C ATOM 1127 C VAL A 75 4.314 6.943 6.893 1.00 0.00 C ATOM 1128 O VAL A 75 4.336 6.642 8.082 1.00 0.00 O ATOM 1129 CB VAL A 75 3.889 9.153 5.828 1.00 0.00 C ATOM 1130 CG1 VAL A 75 3.584 10.283 6.799 1.00 0.00 C ATOM 1131 CG2 VAL A 75 4.262 9.714 4.467 1.00 0.00 C ATOM 0 H VAL A 75 5.891 8.300 4.510 1.00 0.00 H new ATOM 0 HA VAL A 75 5.480 8.731 7.240 1.00 0.00 H new ATOM 0 HB VAL A 75 2.996 8.543 5.692 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.809 10.924 6.379 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.237 9.866 7.745 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.487 10.869 6.970 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.458 10.355 4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.180 10.296 4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.416 8.894 3.765 1.00 0.00 H new ATOM 1141 N LEU A 76 3.690 6.205 5.972 1.00 0.00 N ATOM 1142 CA LEU A 76 2.982 4.972 6.319 1.00 0.00 C ATOM 1143 C LEU A 76 3.861 4.028 7.132 1.00 0.00 C ATOM 1144 O LEU A 76 3.507 3.642 8.242 1.00 0.00 O ATOM 1145 CB LEU A 76 2.478 4.278 5.046 1.00 0.00 C ATOM 1146 CG LEU A 76 2.289 2.757 5.128 1.00 0.00 C ATOM 1147 CD1 LEU A 76 0.846 2.412 5.452 1.00 0.00 C ATOM 1148 CD2 LEU A 76 2.707 2.110 3.823 1.00 0.00 C ATOM 0 H LEU A 76 3.661 6.441 4.980 1.00 0.00 H new ATOM 0 HA LEU A 76 2.128 5.239 6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 76 1.524 4.726 4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.179 4.492 4.239 1.00 0.00 H new ATOM 0 HG LEU A 76 2.919 2.372 5.930 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.734 1.329 5.505 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.573 2.853 6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.194 2.806 4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.569 1.031 3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.096 2.503 3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.757 2.330 3.628 1.00 0.00 H new ATOM 1160 N GLN A 77 4.999 3.643 6.569 1.00 0.00 N ATOM 1161 CA GLN A 77 5.898 2.724 7.256 1.00 0.00 C ATOM 1162 C GLN A 77 6.165 3.215 8.677 1.00 0.00 C ATOM 1163 O GLN A 77 6.342 2.420 9.600 1.00 0.00 O ATOM 1164 CB GLN A 77 7.215 2.581 6.496 1.00 0.00 C ATOM 1165 CG GLN A 77 8.034 1.373 6.919 1.00 0.00 C ATOM 1166 CD GLN A 77 9.303 1.219 6.103 1.00 0.00 C ATOM 1167 OE1 GLN A 77 9.619 0.129 5.625 1.00 0.00 O ATOM 1168 NE2 GLN A 77 10.036 2.314 5.938 1.00 0.00 N ATOM 0 H GLN A 77 5.319 3.948 5.650 1.00 0.00 H new ATOM 0 HA GLN A 77 5.419 1.746 7.300 1.00 0.00 H new ATOM 0 HB2 GLN A 77 7.003 2.510 5.429 1.00 0.00 H new ATOM 0 HB3 GLN A 77 7.810 3.482 6.644 1.00 0.00 H new ATOM 0 HG2 GLN A 77 8.293 1.464 7.974 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.428 0.473 6.816 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.735 3.196 6.352 1.00 0.00 H new ATOM 0 HE22 GLN A 77 10.900 2.273 5.397 1.00 0.00 H new ATOM 1177 N ALA A 78 6.172 4.533 8.841 1.00 0.00 N ATOM 1178 CA ALA A 78 6.393 5.149 10.144 1.00 0.00 C ATOM 1179 C ALA A 78 5.108 5.169 10.971 1.00 0.00 C ATOM 1180 O ALA A 78 5.065 4.648 12.086 1.00 0.00 O ATOM 1181 CB ALA A 78 6.929 6.561 9.970 1.00 0.00 C ATOM 0 H ALA A 78 6.026 5.199 8.082 1.00 0.00 H new ATOM 0 HA ALA A 78 7.129 4.551 10.681 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.091 7.012 10.949 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.873 6.527 9.426 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.208 7.157 9.410 1.00 0.00 H new ATOM 1187 N HIS A 79 4.065 5.784 10.416 1.00 0.00 N ATOM 1188 CA HIS A 79 2.775 5.892 11.094 1.00 0.00 C ATOM 1189 C HIS A 79 2.203 4.516 11.419 1.00 0.00 C ATOM 1190 O HIS A 79 1.516 4.343 12.425 1.00 0.00 O ATOM 1191 CB HIS A 79 1.784 6.688 10.233 1.00 0.00 C ATOM 1192 CG HIS A 79 1.354 7.976 10.864 1.00 0.00 C ATOM 1193 ND1 HIS A 79 0.431 8.043 11.885 1.00 0.00 N ATOM 1194 CD2 HIS A 79 1.727 9.253 10.613 1.00 0.00 C ATOM 1195 CE1 HIS A 79 0.251 9.304 12.236 1.00 0.00 C ATOM 1196 NE2 HIS A 79 1.027 10.058 11.479 1.00 0.00 N ATOM 0 H HIS A 79 4.089 6.217 9.493 1.00 0.00 H new ATOM 0 HA HIS A 79 2.934 6.422 12.033 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.241 6.900 9.267 1.00 0.00 H new ATOM 0 HB3 HIS A 79 0.904 6.074 10.042 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.441 9.578 9.871 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -0.416 9.657 13.009 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.096 11.074 11.529 1.00 0.00 H new ATOM 1536 N LYS B 5 5.437 13.103 4.570 1.00 0.00 N ATOM 1537 CA LYS B 5 5.652 12.965 3.139 1.00 0.00 C ATOM 1538 C LYS B 5 4.379 13.298 2.355 1.00 0.00 C ATOM 1539 O LYS B 5 3.390 13.760 2.926 1.00 0.00 O ATOM 1540 CB LYS B 5 6.174 11.571 2.803 1.00 0.00 C ATOM 1541 CG LYS B 5 7.094 10.997 3.871 1.00 0.00 C ATOM 1542 CD LYS B 5 8.468 11.648 3.859 1.00 0.00 C ATOM 1543 CE LYS B 5 9.276 11.248 2.638 1.00 0.00 C ATOM 1544 NZ LYS B 5 9.988 12.409 2.039 1.00 0.00 N ATOM 0 HA LYS B 5 6.414 13.684 2.837 1.00 0.00 H new ATOM 0 HB2 LYS B 5 5.328 10.898 2.663 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.710 11.611 1.855 1.00 0.00 H new ATOM 0 HG2 LYS B 5 6.638 11.133 4.852 1.00 0.00 H new ATOM 0 HG3 LYS B 5 7.202 9.923 3.716 1.00 0.00 H new ATOM 0 HD2 LYS B 5 8.356 12.732 3.880 1.00 0.00 H new ATOM 0 HD3 LYS B 5 9.011 11.366 4.761 1.00 0.00 H new ATOM 0 HE2 LYS B 5 10.000 10.483 2.917 1.00 0.00 H new ATOM 0 HE3 LYS B 5 8.614 10.805 1.894 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 10.749 12.067 1.419 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 9.318 12.978 1.483 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 10.395 12.995 2.796 1.00 0.00 H new ATOM 1558 N LEU B 6 4.425 13.094 1.042 1.00 0.00 N ATOM 1559 CA LEU B 6 3.294 13.411 0.161 1.00 0.00 C ATOM 1560 C LEU B 6 2.077 12.517 0.410 1.00 0.00 C ATOM 1561 O LEU B 6 0.946 13.005 0.426 1.00 0.00 O ATOM 1562 CB LEU B 6 3.711 13.293 -1.307 1.00 0.00 C ATOM 1563 CG LEU B 6 4.553 14.453 -1.849 1.00 0.00 C ATOM 1564 CD1 LEU B 6 5.634 13.937 -2.790 1.00 0.00 C ATOM 1565 CD2 LEU B 6 3.668 15.465 -2.561 1.00 0.00 C ATOM 0 H LEU B 6 5.236 12.709 0.558 1.00 0.00 H new ATOM 0 HA LEU B 6 3.005 14.436 0.391 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.274 12.368 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.811 13.204 -1.916 1.00 0.00 H new ATOM 0 HG LEU B 6 5.038 14.948 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.221 14.776 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.286 13.249 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.169 13.417 -3.628 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.282 16.282 -2.940 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.157 14.980 -3.392 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.931 15.859 -1.862 1.00 0.00 H new ATOM 1577 N SER B 7 2.292 11.219 0.606 1.00 0.00 N ATOM 1578 CA SER B 7 1.179 10.313 0.854 1.00 0.00 C ATOM 1579 C SER B 7 1.215 9.776 2.281 1.00 0.00 C ATOM 1580 O SER B 7 1.806 8.733 2.545 1.00 0.00 O ATOM 1581 CB SER B 7 1.199 9.158 -0.146 1.00 0.00 C ATOM 1582 OG SER B 7 0.243 9.360 -1.170 1.00 0.00 O ATOM 0 H SER B 7 3.212 10.778 0.598 1.00 0.00 H new ATOM 0 HA SER B 7 0.254 10.875 0.726 1.00 0.00 H new ATOM 0 HB2 SER B 7 2.193 9.068 -0.584 1.00 0.00 H new ATOM 0 HB3 SER B 7 0.992 8.221 0.371 1.00 0.00 H new ATOM 0 HG SER B 7 0.689 9.709 -1.970 1.00 0.00 H new ATOM 1588 N VAL B 8 0.574 10.494 3.200 1.00 0.00 N ATOM 1589 CA VAL B 8 0.538 10.076 4.598 1.00 0.00 C ATOM 1590 C VAL B 8 -0.296 8.810 4.765 1.00 0.00 C ATOM 1591 O VAL B 8 -0.763 8.234 3.785 1.00 0.00 O ATOM 1592 CB VAL B 8 -0.031 11.181 5.512 1.00 0.00 C ATOM 1593 CG1 VAL B 8 0.875 12.402 5.506 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.442 11.555 5.088 1.00 0.00 C ATOM 0 H VAL B 8 0.076 11.362 3.003 1.00 0.00 H new ATOM 0 HA VAL B 8 1.568 9.877 4.894 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.073 10.794 6.530 1.00 0.00 H new ATOM 0 HG11 VAL B 8 0.456 13.169 6.157 1.00 0.00 H new ATOM 0 HG12 VAL B 8 1.865 12.122 5.866 1.00 0.00 H new ATOM 0 HG13 VAL B 8 0.955 12.791 4.491 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -1.825 12.336 5.745 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.429 11.920 4.061 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -2.086 10.678 5.153 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.471 8.370 6.008 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.241 7.161 6.285 1.00 0.00 C ATOM 1606 C ASN B 9 -2.750 7.413 6.180 1.00 0.00 C ATOM 1607 O ASN B 9 -3.495 7.141 7.122 1.00 0.00 O ATOM 1608 CB ASN B 9 -0.901 6.640 7.681 1.00 0.00 C ATOM 1609 CG ASN B 9 -1.189 7.666 8.762 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -0.442 8.627 8.936 1.00 0.00 O ATOM 1611 ND2 ASN B 9 -2.281 7.466 9.492 1.00 0.00 N ATOM 0 H ASN B 9 -0.092 8.830 6.836 1.00 0.00 H new ATOM 0 HA ASN B 9 -0.973 6.416 5.536 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -1.475 5.735 7.879 1.00 0.00 H new ATOM 0 HB3 ASN B 9 0.153 6.363 7.717 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -2.528 8.124 10.231 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -2.873 6.655 9.313 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.201 7.946 5.042 1.00 0.00 N ATOM 1619 CA ALA B 10 -4.618 8.241 4.847 1.00 0.00 C ATOM 1620 C ALA B 10 -5.500 7.034 5.176 1.00 0.00 C ATOM 1621 O ALA B 10 -5.001 5.980 5.569 1.00 0.00 O ATOM 1622 CB ALA B 10 -4.861 8.720 3.421 1.00 0.00 C ATOM 0 H ALA B 10 -2.607 8.180 4.247 1.00 0.00 H new ATOM 0 HA ALA B 10 -4.894 9.037 5.538 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -5.921 8.937 3.286 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -4.279 9.623 3.236 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -4.558 7.943 2.719 1.00 0.00 H new ATOM 1628 N PRO B 11 -6.833 7.185 5.031 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.799 6.116 5.325 1.00 0.00 C ATOM 1630 C PRO B 11 -7.450 4.795 4.642 1.00 0.00 C ATOM 1631 O PRO B 11 -6.320 4.592 4.207 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.114 6.671 4.779 1.00 0.00 C ATOM 1633 CG PRO B 11 -8.957 8.148 4.865 1.00 0.00 C ATOM 1634 CD PRO B 11 -7.506 8.420 4.584 1.00 0.00 C ATOM 0 HA PRO B 11 -7.825 5.877 6.388 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.285 6.349 3.752 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -9.965 6.327 5.367 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -9.597 8.653 4.141 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.240 8.515 5.851 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.331 8.612 3.525 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.148 9.293 5.130 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.433 3.905 4.529 1.00 0.00 N ATOM 1643 CA GLU B 12 -8.237 2.619 3.864 1.00 0.00 C ATOM 1644 C GLU B 12 -8.392 2.751 2.349 1.00 0.00 C ATOM 1645 O GLU B 12 -8.649 3.837 1.829 1.00 0.00 O ATOM 1646 CB GLU B 12 -9.243 1.594 4.396 1.00 0.00 C ATOM 1647 CG GLU B 12 -8.650 0.618 5.395 1.00 0.00 C ATOM 1648 CD GLU B 12 -7.457 -0.129 4.833 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -6.324 0.386 4.951 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -7.655 -1.227 4.276 1.00 0.00 O ATOM 0 H GLU B 12 -9.376 4.051 4.890 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.223 2.281 4.078 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -10.072 2.122 4.866 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -9.656 1.035 3.557 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -8.347 1.159 6.292 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -9.414 -0.098 5.697 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.273 1.622 1.658 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.442 1.598 0.207 1.00 0.00 C ATOM 1659 C PHE B 13 -9.807 1.018 -0.132 1.00 0.00 C ATOM 1660 O PHE B 13 -10.089 -0.149 0.143 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.333 0.811 -0.496 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.332 -0.660 -0.223 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -6.789 -1.165 0.947 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.853 -1.542 -1.151 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -6.768 -2.527 1.182 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.837 -2.898 -0.920 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.294 -3.393 0.241 1.00 0.00 C ATOM 0 H PHE B 13 -8.061 0.716 2.075 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.375 2.624 -0.156 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.424 0.966 -1.571 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.369 1.222 -0.195 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -6.378 -0.489 1.682 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -8.278 -1.162 -2.068 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.343 -2.913 2.097 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -8.252 -3.575 -1.652 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.278 -4.458 0.419 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.645 1.851 -0.742 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.984 1.451 -1.149 1.00 0.00 C ATOM 1679 C TYR B 14 -12.142 1.558 -2.663 1.00 0.00 C ATOM 1680 O TYR B 14 -11.255 2.074 -3.344 1.00 0.00 O ATOM 1681 CB TYR B 14 -13.023 2.304 -0.423 1.00 0.00 C ATOM 1682 CG TYR B 14 -13.396 1.738 0.926 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -12.570 1.927 2.024 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -14.564 1.005 1.101 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -12.895 1.406 3.262 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -14.895 0.478 2.337 1.00 0.00 C ATOM 1687 CZ TYR B 14 -14.058 0.681 3.412 1.00 0.00 C ATOM 1688 OH TYR B 14 -14.381 0.158 4.643 1.00 0.00 O ATOM 0 H TYR B 14 -10.414 2.819 -0.967 1.00 0.00 H new ATOM 0 HA TYR B 14 -12.141 0.408 -0.875 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -12.633 3.314 -0.294 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.918 2.384 -1.040 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -11.656 2.491 1.909 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -15.223 0.844 0.260 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -12.242 1.566 4.107 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -15.806 -0.090 2.458 1.00 0.00 H new ATOM 0 HH TYR B 14 -15.232 -0.324 4.580 1.00 0.00 H new ATOM 1698 N PRO B 15 -13.272 1.090 -3.217 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.519 1.165 -4.659 1.00 0.00 C ATOM 1700 C PRO B 15 -13.545 2.606 -5.159 1.00 0.00 C ATOM 1701 O PRO B 15 -14.587 3.270 -5.141 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.892 0.525 -4.831 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.523 0.590 -3.482 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.397 0.463 -2.500 1.00 0.00 C ATOM 0 HA PRO B 15 -12.734 0.668 -5.229 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.487 1.061 -5.571 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.806 -0.505 -5.177 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -16.058 1.530 -3.345 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -16.249 -0.212 -3.351 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.617 0.975 -1.563 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -14.190 -0.578 -2.253 1.00 0.00 H new ATOM 1712 N SER B 16 -12.399 3.079 -5.621 1.00 0.00 N ATOM 1713 CA SER B 16 -12.284 4.440 -6.132 1.00 0.00 C ATOM 1714 C SER B 16 -13.297 4.688 -7.244 1.00 0.00 C ATOM 1715 O SER B 16 -14.171 5.546 -7.117 1.00 0.00 O ATOM 1716 CB SER B 16 -10.871 4.690 -6.636 1.00 0.00 C ATOM 1717 OG SER B 16 -10.218 5.679 -5.861 1.00 0.00 O ATOM 0 H SER B 16 -11.533 2.542 -5.654 1.00 0.00 H new ATOM 0 HA SER B 16 -12.497 5.134 -5.319 1.00 0.00 H new ATOM 0 HB2 SER B 16 -10.300 3.762 -6.602 1.00 0.00 H new ATOM 0 HB3 SER B 16 -10.905 5.005 -7.679 1.00 0.00 H new ATOM 0 HG SER B 16 -9.750 5.252 -5.113 1.00 0.00 H new ATOM 1723 N GLY B 17 -13.183 3.923 -8.323 1.00 0.00 N ATOM 1724 CA GLY B 17 -14.107 4.066 -9.427 1.00 0.00 C ATOM 1725 C GLY B 17 -15.370 3.259 -9.219 1.00 0.00 C ATOM 1726 O GLY B 17 -15.758 2.468 -10.078 1.00 0.00 O ATOM 0 H GLY B 17 -12.467 3.208 -8.451 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.365 5.118 -9.549 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -13.621 3.748 -10.349 1.00 0.00 H new ATOM 1730 N TYR B 18 -16.023 3.466 -8.078 1.00 0.00 N ATOM 1731 CA TYR B 18 -17.258 2.756 -7.770 1.00 0.00 C ATOM 1732 C TYR B 18 -18.339 3.095 -8.791 1.00 0.00 C ATOM 1733 O TYR B 18 -18.743 4.250 -8.920 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.737 3.124 -6.361 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.269 1.953 -5.561 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.690 0.696 -5.658 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.347 2.113 -4.698 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.167 -0.371 -4.921 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -19.833 1.049 -3.961 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.239 -0.190 -4.074 1.00 0.00 C ATOM 1741 OH TYR B 18 -19.714 -1.251 -3.335 1.00 0.00 O ATOM 0 H TYR B 18 -15.718 4.117 -7.355 1.00 0.00 H new ATOM 0 HA TYR B 18 -17.062 1.685 -7.813 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -16.910 3.577 -5.815 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.518 3.880 -6.441 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.851 0.549 -6.322 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -19.812 3.083 -4.602 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.702 -1.342 -5.008 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -20.675 1.188 -3.299 1.00 0.00 H new ATOM 0 HH TYR B 18 -20.472 -0.956 -2.789 1.00 0.00 H new