USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=20 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 58 MET CE :methyl -154:sc= -1.68 (180deg=-3.87!) USER MOD Set 1.2: A 68 LYS NZ :NH3+ 170:sc= 0.286 (180deg=-0.109) USER MOD Set 2.1: A 18 GLN : amide:sc= 0.152 K(o=0.4,f=-0.47) USER MOD Set 2.2: B 18 TYR OH : rot -63:sc= 0.249 USER MOD Single : A 8 THR OG1 : rot -36:sc= 0.0683 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0216 USER MOD Single : A 11 MET CE :methyl 143:sc= -0.636 (180deg=-2.26!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.504 X(o=-0.5,f=-0.11) USER MOD Single : A 21 LYS NZ :NH3+ -152:sc= -0.151 (180deg=-0.563) USER MOD Single : A 22 GLN : amide:sc= -0.0226 X(o=-0.023,f=0) USER MOD Single : A 23 MET CE :methyl 149:sc= -1.93 (180deg=-4.38!) USER MOD Single : A 33 GLN : amide:sc= -0.0512 X(o=-0.051,f=-0.45) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -6.53! C(o=-6.5!,f=-3.9!) USER MOD Single : A 38 THR OG1 : rot 130:sc= -0.656 USER MOD Single : A 42 LYS NZ :NH3+ 140:sc= 0.763 (180deg=-2.5) USER MOD Single : A 44 THR OG1 : rot 77:sc= 0.997 USER MOD Single : A 46 MET CE :methyl -111:sc= -0.291 (180deg=-1.76) USER MOD Single : A 52 ASN : amide:sc= -6.12! C(o=-6.1!,f=-7.9!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 61 SER OG : rot -17:sc= 0.0372 USER MOD Single : A 64 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= -0.024 K(o=-0.024,f=-1.4!) USER MOD Single : A 79 HIS : no HD1:sc= -0.723 K(o=-0.72,f=0) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 SER OG : rot 30:sc= -4.24! USER MOD Single : B 9 ASN : amide:sc= -3.61! K(o=-3.6!,f=-1.7) USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot 62:sc= -1.12 USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -2.907 -8.638 -12.286 1.00 0.00 N ATOM 95 CA THR A 8 -3.677 -7.414 -12.112 1.00 0.00 C ATOM 96 C THR A 8 -4.671 -7.220 -13.242 1.00 0.00 C ATOM 97 O THR A 8 -5.758 -6.683 -13.028 1.00 0.00 O ATOM 98 CB THR A 8 -2.736 -6.211 -12.028 1.00 0.00 C ATOM 99 OG1 THR A 8 -1.960 -6.093 -13.210 1.00 0.00 O ATOM 100 CG2 THR A 8 -1.785 -6.280 -10.852 1.00 0.00 C ATOM 0 HA THR A 8 -4.239 -7.499 -11.182 1.00 0.00 H new ATOM 0 HB THR A 8 -3.384 -5.344 -11.899 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.733 -6.986 -13.543 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.145 -5.398 -10.849 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.356 -6.317 -9.924 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.169 -7.175 -10.935 1.00 0.00 H new ATOM 108 N ALA A 9 -4.329 -7.687 -14.436 1.00 0.00 N ATOM 109 CA ALA A 9 -5.246 -7.579 -15.557 1.00 0.00 C ATOM 110 C ALA A 9 -6.532 -8.315 -15.214 1.00 0.00 C ATOM 111 O ALA A 9 -7.601 -7.711 -15.110 1.00 0.00 O ATOM 112 CB ALA A 9 -4.618 -8.142 -16.827 1.00 0.00 C ATOM 0 H ALA A 9 -3.438 -8.136 -14.649 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.470 -6.529 -15.743 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.323 -8.050 -17.653 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.710 -7.586 -17.061 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.371 -9.193 -16.676 1.00 0.00 H new ATOM 118 N SER A 10 -6.422 -9.630 -15.060 1.00 0.00 N ATOM 119 CA SER A 10 -7.579 -10.465 -14.751 1.00 0.00 C ATOM 120 C SER A 10 -8.279 -10.000 -13.478 1.00 0.00 C ATOM 121 O SER A 10 -9.487 -10.197 -13.322 1.00 0.00 O ATOM 122 CB SER A 10 -7.146 -11.924 -14.594 1.00 0.00 C ATOM 123 OG SER A 10 -6.178 -12.280 -15.566 1.00 0.00 O ATOM 0 H SER A 10 -5.544 -10.142 -15.144 1.00 0.00 H new ATOM 0 HA SER A 10 -8.283 -10.377 -15.579 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.737 -12.079 -13.596 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.015 -12.576 -14.687 1.00 0.00 H new ATOM 0 HG SER A 10 -5.918 -13.217 -15.441 1.00 0.00 H new ATOM 129 N MET A 11 -7.537 -9.369 -12.571 1.00 0.00 N ATOM 130 CA MET A 11 -8.138 -8.890 -11.335 1.00 0.00 C ATOM 131 C MET A 11 -9.195 -7.848 -11.649 1.00 0.00 C ATOM 132 O MET A 11 -10.329 -7.934 -11.182 1.00 0.00 O ATOM 133 CB MET A 11 -7.074 -8.300 -10.410 1.00 0.00 C ATOM 134 CG MET A 11 -6.434 -9.324 -9.490 1.00 0.00 C ATOM 135 SD MET A 11 -7.368 -9.566 -7.967 1.00 0.00 S ATOM 136 CE MET A 11 -8.482 -10.880 -8.462 1.00 0.00 C ATOM 0 H MET A 11 -6.539 -9.181 -12.667 1.00 0.00 H new ATOM 0 HA MET A 11 -8.605 -9.732 -10.824 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.298 -7.832 -11.015 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.525 -7.513 -9.806 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.349 -10.276 -10.015 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.422 -9.004 -9.244 1.00 0.00 H new ATOM 0 HE1 MET A 11 -8.631 -11.565 -7.627 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.441 -10.453 -8.756 1.00 0.00 H new ATOM 0 HE3 MET A 11 -8.053 -11.423 -9.304 1.00 0.00 H new ATOM 146 N LEU A 12 -8.827 -6.881 -12.461 1.00 0.00 N ATOM 147 CA LEU A 12 -9.760 -5.837 -12.861 1.00 0.00 C ATOM 148 C LEU A 12 -10.948 -6.458 -13.588 1.00 0.00 C ATOM 149 O LEU A 12 -12.099 -6.276 -13.190 1.00 0.00 O ATOM 150 CB LEU A 12 -9.065 -4.805 -13.756 1.00 0.00 C ATOM 151 CG LEU A 12 -9.467 -3.345 -13.503 1.00 0.00 C ATOM 152 CD1 LEU A 12 -10.810 -3.042 -14.152 1.00 0.00 C ATOM 153 CD2 LEU A 12 -9.517 -3.048 -12.008 1.00 0.00 C ATOM 0 H LEU A 12 -7.892 -6.791 -12.859 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.118 -5.325 -11.968 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.987 -4.897 -13.621 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.277 -5.049 -14.797 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.712 -2.701 -13.953 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.079 -2.003 -13.963 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.741 -3.209 -15.227 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.573 -3.697 -13.732 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.804 -2.008 -11.853 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.248 -3.701 -11.532 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.535 -3.223 -11.569 1.00 0.00 H new ATOM 165 N ALA A 13 -10.658 -7.201 -14.653 1.00 0.00 N ATOM 166 CA ALA A 13 -11.685 -7.866 -15.450 1.00 0.00 C ATOM 167 C ALA A 13 -12.328 -9.048 -14.718 1.00 0.00 C ATOM 168 O ALA A 13 -13.054 -9.838 -15.321 1.00 0.00 O ATOM 169 CB ALA A 13 -11.078 -8.338 -16.750 1.00 0.00 C ATOM 0 H ALA A 13 -9.707 -7.359 -14.987 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.476 -7.140 -15.638 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.841 -8.835 -17.349 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.686 -7.483 -17.300 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.268 -9.037 -16.541 1.00 0.00 H new ATOM 175 N SER A 14 -12.081 -9.150 -13.422 1.00 0.00 N ATOM 176 CA SER A 14 -12.663 -10.218 -12.617 1.00 0.00 C ATOM 177 C SER A 14 -13.997 -9.766 -12.024 1.00 0.00 C ATOM 178 O SER A 14 -14.947 -10.544 -11.936 1.00 0.00 O ATOM 179 CB SER A 14 -11.705 -10.633 -11.497 1.00 0.00 C ATOM 180 OG SER A 14 -12.317 -11.556 -10.615 1.00 0.00 O ATOM 0 H SER A 14 -11.482 -8.508 -12.903 1.00 0.00 H new ATOM 0 HA SER A 14 -12.836 -11.079 -13.263 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.808 -11.078 -11.928 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.387 -9.751 -10.941 1.00 0.00 H new ATOM 0 HG SER A 14 -11.683 -11.805 -9.911 1.00 0.00 H new ATOM 186 N ALA A 15 -14.052 -8.503 -11.604 1.00 0.00 N ATOM 187 CA ALA A 15 -15.261 -7.947 -11.003 1.00 0.00 C ATOM 188 C ALA A 15 -15.661 -6.617 -11.652 1.00 0.00 C ATOM 189 O ALA A 15 -15.658 -5.568 -11.005 1.00 0.00 O ATOM 190 CB ALA A 15 -15.054 -7.777 -9.507 1.00 0.00 C ATOM 0 H ALA A 15 -13.274 -7.847 -11.669 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.080 -8.644 -11.177 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.957 -7.362 -9.060 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.839 -8.746 -9.057 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.218 -7.101 -9.330 1.00 0.00 H new ATOM 196 N PRO A 16 -16.011 -6.650 -12.953 1.00 0.00 N ATOM 197 CA PRO A 16 -16.415 -5.461 -13.707 1.00 0.00 C ATOM 198 C PRO A 16 -17.366 -4.540 -12.931 1.00 0.00 C ATOM 199 O PRO A 16 -17.166 -3.326 -12.906 1.00 0.00 O ATOM 200 CB PRO A 16 -17.120 -6.026 -14.952 1.00 0.00 C ATOM 201 CG PRO A 16 -17.007 -7.520 -14.880 1.00 0.00 C ATOM 202 CD PRO A 16 -16.027 -7.853 -13.790 1.00 0.00 C ATOM 0 HA PRO A 16 -15.551 -4.837 -13.934 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.166 -5.719 -14.976 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -16.656 -5.648 -15.863 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.979 -7.967 -14.670 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -16.669 -7.924 -15.834 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.341 -8.730 -13.224 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.039 -8.072 -14.194 1.00 0.00 H new ATOM 210 N PRO A 17 -18.423 -5.099 -12.303 1.00 0.00 N ATOM 211 CA PRO A 17 -19.408 -4.313 -11.541 1.00 0.00 C ATOM 212 C PRO A 17 -18.766 -3.369 -10.528 1.00 0.00 C ATOM 213 O PRO A 17 -17.592 -3.027 -10.636 1.00 0.00 O ATOM 214 CB PRO A 17 -20.228 -5.382 -10.820 1.00 0.00 C ATOM 215 CG PRO A 17 -20.128 -6.583 -11.691 1.00 0.00 C ATOM 216 CD PRO A 17 -18.754 -6.537 -12.301 1.00 0.00 C ATOM 0 HA PRO A 17 -19.992 -3.664 -12.194 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -19.832 -5.581 -9.824 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.264 -5.069 -10.694 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.269 -7.497 -11.114 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.898 -6.571 -12.462 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -18.036 -7.113 -11.716 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -18.749 -6.951 -13.309 1.00 0.00 H new ATOM 224 N GLN A 18 -19.552 -2.948 -9.536 1.00 0.00 N ATOM 225 CA GLN A 18 -19.067 -2.036 -8.503 1.00 0.00 C ATOM 226 C GLN A 18 -17.796 -2.560 -7.841 1.00 0.00 C ATOM 227 O GLN A 18 -17.062 -1.799 -7.210 1.00 0.00 O ATOM 228 CB GLN A 18 -20.147 -1.789 -7.447 1.00 0.00 C ATOM 229 CG GLN A 18 -20.938 -3.031 -7.064 1.00 0.00 C ATOM 230 CD GLN A 18 -21.493 -2.952 -5.654 1.00 0.00 C ATOM 231 OE1 GLN A 18 -20.790 -2.571 -4.719 1.00 0.00 O ATOM 232 NE2 GLN A 18 -22.761 -3.312 -5.494 1.00 0.00 N ATOM 0 H GLN A 18 -20.528 -3.225 -9.427 1.00 0.00 H new ATOM 0 HA GLN A 18 -18.827 -1.091 -8.991 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.678 -1.380 -6.552 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -20.837 -1.032 -7.819 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -21.759 -3.167 -7.768 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -20.296 -3.908 -7.150 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -23.308 -3.622 -6.297 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -23.188 -3.279 -4.568 1.00 0.00 H new ATOM 241 N GLU A 19 -17.529 -3.857 -7.989 1.00 0.00 N ATOM 242 CA GLU A 19 -16.339 -4.465 -7.411 1.00 0.00 C ATOM 243 C GLU A 19 -15.130 -4.271 -8.328 1.00 0.00 C ATOM 244 O GLU A 19 -14.223 -5.101 -8.358 1.00 0.00 O ATOM 245 CB GLU A 19 -16.579 -5.958 -7.196 1.00 0.00 C ATOM 246 CG GLU A 19 -17.890 -6.270 -6.495 1.00 0.00 C ATOM 247 CD GLU A 19 -18.659 -7.390 -7.169 1.00 0.00 C ATOM 248 OE1 GLU A 19 -18.062 -8.465 -7.398 1.00 0.00 O ATOM 249 OE2 GLU A 19 -19.854 -7.194 -7.473 1.00 0.00 O ATOM 0 H GLU A 19 -18.124 -4.505 -8.506 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.133 -3.982 -6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.565 -6.462 -8.162 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.757 -6.369 -6.610 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.688 -6.545 -5.460 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.508 -5.372 -6.472 1.00 0.00 H new ATOM 256 N GLN A 20 -15.089 -3.139 -9.022 1.00 0.00 N ATOM 257 CA GLN A 20 -13.959 -2.815 -9.883 1.00 0.00 C ATOM 258 C GLN A 20 -12.739 -2.496 -9.025 1.00 0.00 C ATOM 259 O GLN A 20 -11.933 -3.371 -8.705 1.00 0.00 O ATOM 260 CB GLN A 20 -14.280 -1.648 -10.843 1.00 0.00 C ATOM 261 CG GLN A 20 -15.443 -0.760 -10.412 1.00 0.00 C ATOM 262 CD GLN A 20 -15.796 0.288 -11.450 1.00 0.00 C ATOM 263 OE1 GLN A 20 -16.791 0.158 -12.164 1.00 0.00 O ATOM 264 NE2 GLN A 20 -14.984 1.334 -11.540 1.00 0.00 N ATOM 0 H GLN A 20 -15.824 -2.432 -9.005 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.744 -3.684 -10.506 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.389 -1.029 -10.948 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.501 -2.058 -11.828 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.317 -1.382 -10.218 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.189 -0.266 -9.474 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.170 1.402 -10.929 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.174 2.070 -12.220 1.00 0.00 H new ATOM 273 N LYS A 21 -12.635 -1.226 -8.642 1.00 0.00 N ATOM 274 CA LYS A 21 -11.550 -0.734 -7.799 1.00 0.00 C ATOM 275 C LYS A 21 -11.793 -1.065 -6.327 1.00 0.00 C ATOM 276 O LYS A 21 -11.131 -0.519 -5.444 1.00 0.00 O ATOM 277 CB LYS A 21 -11.411 0.776 -7.974 1.00 0.00 C ATOM 278 CG LYS A 21 -11.704 1.239 -9.391 1.00 0.00 C ATOM 279 CD LYS A 21 -10.447 1.711 -10.101 1.00 0.00 C ATOM 280 CE LYS A 21 -9.903 0.641 -11.034 1.00 0.00 C ATOM 281 NZ LYS A 21 -8.576 1.015 -11.594 1.00 0.00 N ATOM 0 H LYS A 21 -13.305 -0.505 -8.910 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.629 -1.229 -8.107 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.089 1.280 -7.285 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.399 1.076 -7.702 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.155 0.422 -9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.433 2.049 -9.365 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.666 2.615 -10.670 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.688 1.974 -9.364 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.816 -0.302 -10.494 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.608 0.478 -11.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.451 0.563 -12.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.524 2.048 -11.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.825 0.696 -10.949 1.00 0.00 H new ATOM 295 N GLN A 22 -12.738 -1.963 -6.064 1.00 0.00 N ATOM 296 CA GLN A 22 -13.056 -2.356 -4.695 1.00 0.00 C ATOM 297 C GLN A 22 -11.867 -3.023 -4.029 1.00 0.00 C ATOM 298 O GLN A 22 -11.192 -2.422 -3.193 1.00 0.00 O ATOM 299 CB GLN A 22 -14.265 -3.295 -4.667 1.00 0.00 C ATOM 300 CG GLN A 22 -15.447 -2.740 -3.888 1.00 0.00 C ATOM 301 CD GLN A 22 -16.047 -3.744 -2.925 1.00 0.00 C ATOM 302 OE1 GLN A 22 -17.204 -4.141 -3.065 1.00 0.00 O ATOM 303 NE2 GLN A 22 -15.265 -4.160 -1.935 1.00 0.00 N ATOM 0 H GLN A 22 -13.295 -2.431 -6.779 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.301 -1.451 -4.139 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.579 -3.501 -5.690 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.966 -4.247 -4.228 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.127 -1.859 -3.332 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.215 -2.413 -4.589 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.312 -3.806 -1.855 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -15.618 -4.833 -1.255 1.00 0.00 H new ATOM 312 N MET A 23 -11.603 -4.272 -4.401 1.00 0.00 N ATOM 313 CA MET A 23 -10.486 -5.006 -3.832 1.00 0.00 C ATOM 314 C MET A 23 -9.210 -4.172 -3.902 1.00 0.00 C ATOM 315 O MET A 23 -8.903 -3.429 -2.976 1.00 0.00 O ATOM 316 CB MET A 23 -10.286 -6.353 -4.550 1.00 0.00 C ATOM 317 CG MET A 23 -10.828 -6.388 -5.974 1.00 0.00 C ATOM 318 SD MET A 23 -9.783 -7.336 -7.094 1.00 0.00 S ATOM 319 CE MET A 23 -10.137 -6.513 -8.644 1.00 0.00 C ATOM 0 H MET A 23 -12.146 -4.792 -5.090 1.00 0.00 H new ATOM 0 HA MET A 23 -10.714 -5.211 -2.786 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.221 -6.585 -4.573 1.00 0.00 H new ATOM 0 HB3 MET A 23 -10.771 -7.137 -3.969 1.00 0.00 H new ATOM 0 HG2 MET A 23 -11.829 -6.818 -5.967 1.00 0.00 H new ATOM 0 HG3 MET A 23 -10.922 -5.368 -6.347 1.00 0.00 H new ATOM 0 HE1 MET A 23 -9.258 -6.555 -9.287 1.00 0.00 H new ATOM 0 HE2 MET A 23 -10.972 -7.010 -9.137 1.00 0.00 H new ATOM 0 HE3 MET A 23 -10.396 -5.472 -8.452 1.00 0.00 H new ATOM 329 N LEU A 24 -8.475 -4.306 -4.996 1.00 0.00 N ATOM 330 CA LEU A 24 -7.220 -3.579 -5.187 1.00 0.00 C ATOM 331 C LEU A 24 -7.404 -2.053 -5.229 1.00 0.00 C ATOM 332 O LEU A 24 -6.992 -1.415 -6.196 1.00 0.00 O ATOM 333 CB LEU A 24 -6.519 -4.049 -6.471 1.00 0.00 C ATOM 334 CG LEU A 24 -7.421 -4.497 -7.625 1.00 0.00 C ATOM 335 CD1 LEU A 24 -8.185 -3.319 -8.212 1.00 0.00 C ATOM 336 CD2 LEU A 24 -6.583 -5.179 -8.694 1.00 0.00 C ATOM 0 H LEU A 24 -8.726 -4.916 -5.774 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.602 -3.804 -4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.886 -3.237 -6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.859 -4.878 -6.214 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.154 -5.206 -7.240 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.817 -3.666 -9.029 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.807 -2.867 -7.439 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.479 -2.579 -8.589 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.227 -5.497 -9.514 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.835 -4.481 -9.070 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.085 -6.049 -8.266 1.00 0.00 H new ATOM 348 N GLY A 25 -8.001 -1.464 -4.177 1.00 0.00 N ATOM 349 CA GLY A 25 -8.202 -0.019 -4.138 1.00 0.00 C ATOM 350 C GLY A 25 -8.396 0.590 -5.517 1.00 0.00 C ATOM 351 O GLY A 25 -8.922 -0.061 -6.418 1.00 0.00 O ATOM 0 H GLY A 25 -8.345 -1.965 -3.358 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.073 0.205 -3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.343 0.449 -3.657 1.00 0.00 H new ATOM 355 N GLU A 26 -7.953 1.828 -5.691 1.00 0.00 N ATOM 356 CA GLU A 26 -8.067 2.482 -6.983 1.00 0.00 C ATOM 357 C GLU A 26 -7.046 1.876 -7.949 1.00 0.00 C ATOM 358 O GLU A 26 -7.366 0.988 -8.738 1.00 0.00 O ATOM 359 CB GLU A 26 -7.874 4.013 -6.885 1.00 0.00 C ATOM 360 CG GLU A 26 -7.494 4.532 -5.504 1.00 0.00 C ATOM 361 CD GLU A 26 -8.630 4.445 -4.499 1.00 0.00 C ATOM 362 OE1 GLU A 26 -8.986 3.320 -4.089 1.00 0.00 O ATOM 363 OE2 GLU A 26 -9.161 5.507 -4.111 1.00 0.00 O ATOM 0 H GLU A 26 -7.517 2.392 -4.962 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.077 2.315 -7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.101 4.312 -7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.798 4.500 -7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.643 3.963 -5.131 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.171 5.570 -5.589 1.00 0.00 H new ATOM 370 N ARG A 27 -5.819 2.380 -7.872 1.00 0.00 N ATOM 371 CA ARG A 27 -4.731 1.917 -8.735 1.00 0.00 C ATOM 372 C ARG A 27 -3.392 1.875 -7.996 1.00 0.00 C ATOM 373 O ARG A 27 -2.337 1.747 -8.620 1.00 0.00 O ATOM 374 CB ARG A 27 -4.606 2.829 -9.955 1.00 0.00 C ATOM 375 CG ARG A 27 -5.307 2.297 -11.188 1.00 0.00 C ATOM 376 CD ARG A 27 -4.766 0.934 -11.586 1.00 0.00 C ATOM 377 NE ARG A 27 -4.683 0.788 -13.035 1.00 0.00 N ATOM 378 CZ ARG A 27 -4.231 -0.304 -13.641 1.00 0.00 C ATOM 379 NH1 ARG A 27 -3.811 -1.341 -12.928 1.00 0.00 N ATOM 380 NH2 ARG A 27 -4.191 -0.357 -14.966 1.00 0.00 N ATOM 0 H ARG A 27 -5.549 3.114 -7.217 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.976 0.902 -9.049 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.016 3.808 -9.709 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.550 2.974 -10.182 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.378 2.224 -10.997 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.177 2.997 -12.013 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.777 0.793 -11.149 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.409 0.154 -11.178 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.989 1.569 -13.616 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.834 -1.302 -11.909 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.465 -2.177 -13.399 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.507 0.440 -15.518 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.844 -1.195 -15.433 1.00 0.00 H new ATOM 394 N LEU A 28 -3.427 1.983 -6.673 1.00 0.00 N ATOM 395 CA LEU A 28 -2.198 1.963 -5.884 1.00 0.00 C ATOM 396 C LEU A 28 -1.658 0.552 -5.712 1.00 0.00 C ATOM 397 O LEU A 28 -0.456 0.326 -5.832 1.00 0.00 O ATOM 398 CB LEU A 28 -2.427 2.579 -4.511 1.00 0.00 C ATOM 399 CG LEU A 28 -2.437 4.101 -4.485 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.284 4.601 -3.329 1.00 0.00 C ATOM 401 CD2 LEU A 28 -1.017 4.653 -4.413 1.00 0.00 C ATOM 0 H LEU A 28 -4.283 2.084 -6.127 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.463 2.552 -6.433 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.378 2.217 -4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.649 2.224 -3.835 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.882 4.462 -5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.283 5.691 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.306 4.240 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.872 4.232 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.051 5.742 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.531 4.290 -3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.453 4.321 -5.285 1.00 0.00 H new ATOM 413 N PHE A 29 -2.546 -0.395 -5.432 1.00 0.00 N ATOM 414 CA PHE A 29 -2.137 -1.784 -5.243 1.00 0.00 C ATOM 415 C PHE A 29 -1.248 -2.242 -6.393 1.00 0.00 C ATOM 416 O PHE A 29 -0.165 -2.777 -6.170 1.00 0.00 O ATOM 417 CB PHE A 29 -3.360 -2.683 -5.128 1.00 0.00 C ATOM 418 CG PHE A 29 -3.143 -3.970 -4.374 1.00 0.00 C ATOM 419 CD1 PHE A 29 -2.214 -4.089 -3.339 1.00 0.00 C ATOM 420 CD2 PHE A 29 -3.908 -5.074 -4.701 1.00 0.00 C ATOM 421 CE1 PHE A 29 -2.075 -5.296 -2.666 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.773 -6.266 -4.032 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.858 -6.379 -3.012 1.00 0.00 C ATOM 0 H PHE A 29 -3.547 -0.230 -5.331 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.565 -1.853 -4.318 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.157 -2.124 -4.638 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.710 -2.923 -6.132 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.603 -3.243 -3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.629 -4.997 -5.502 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.352 -5.388 -1.869 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.384 -7.113 -4.307 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.752 -7.314 -2.482 1.00 0.00 H new ATOM 433 N PRO A 30 -1.678 -2.016 -7.646 1.00 0.00 N ATOM 434 CA PRO A 30 -0.888 -2.393 -8.815 1.00 0.00 C ATOM 435 C PRO A 30 0.494 -1.748 -8.780 1.00 0.00 C ATOM 436 O PRO A 30 1.506 -2.404 -9.025 1.00 0.00 O ATOM 437 CB PRO A 30 -1.699 -1.858 -10.003 1.00 0.00 C ATOM 438 CG PRO A 30 -3.080 -1.647 -9.483 1.00 0.00 C ATOM 439 CD PRO A 30 -2.944 -1.357 -8.015 1.00 0.00 C ATOM 0 HA PRO A 30 -0.717 -3.468 -8.867 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.275 -0.927 -10.379 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.696 -2.567 -10.831 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.566 -0.819 -9.999 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.696 -2.531 -9.648 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.910 -0.285 -7.820 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.784 -1.757 -7.448 1.00 0.00 H new ATOM 447 N LEU A 31 0.524 -0.451 -8.476 1.00 0.00 N ATOM 448 CA LEU A 31 1.776 0.297 -8.411 1.00 0.00 C ATOM 449 C LEU A 31 2.651 -0.149 -7.236 1.00 0.00 C ATOM 450 O LEU A 31 3.853 -0.403 -7.387 1.00 0.00 O ATOM 451 CB LEU A 31 1.466 1.784 -8.287 1.00 0.00 C ATOM 452 CG LEU A 31 0.462 2.317 -9.307 1.00 0.00 C ATOM 453 CD1 LEU A 31 -0.214 3.579 -8.794 1.00 0.00 C ATOM 454 CD2 LEU A 31 1.152 2.576 -10.633 1.00 0.00 C ATOM 0 H LEU A 31 -0.307 0.103 -8.271 1.00 0.00 H new ATOM 0 HA LEU A 31 2.334 0.101 -9.327 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.083 1.978 -7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.396 2.344 -8.387 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.311 1.563 -9.459 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.924 3.939 -9.538 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.741 3.358 -7.866 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.539 4.346 -8.610 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.427 2.956 -11.353 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.944 3.312 -10.493 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.582 1.647 -11.007 1.00 0.00 H new ATOM 466 N ILE A 32 2.040 -0.269 -6.070 1.00 0.00 N ATOM 467 CA ILE A 32 2.772 -0.700 -4.895 1.00 0.00 C ATOM 468 C ILE A 32 3.189 -2.148 -5.076 1.00 0.00 C ATOM 469 O ILE A 32 4.314 -2.518 -4.764 1.00 0.00 O ATOM 470 CB ILE A 32 1.946 -0.534 -3.611 1.00 0.00 C ATOM 471 CG1 ILE A 32 2.822 -0.766 -2.374 1.00 0.00 C ATOM 472 CG2 ILE A 32 0.758 -1.475 -3.634 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.232 -2.202 -2.166 1.00 0.00 C ATOM 0 H ILE A 32 1.051 -0.076 -5.913 1.00 0.00 H new ATOM 0 HA ILE A 32 3.655 -0.069 -4.787 1.00 0.00 H new ATOM 0 HB ILE A 32 1.569 0.487 -3.559 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.719 -0.153 -2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.283 -0.423 -1.491 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.178 -1.351 -2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.131 -1.248 -4.496 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.110 -2.504 -3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.849 -2.278 -1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.343 -2.821 -2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.801 -2.546 -3.029 1.00 0.00 H new ATOM 485 N GLN A 33 2.283 -2.956 -5.624 1.00 0.00 N ATOM 486 CA GLN A 33 2.573 -4.357 -5.894 1.00 0.00 C ATOM 487 C GLN A 33 3.960 -4.471 -6.525 1.00 0.00 C ATOM 488 O GLN A 33 4.762 -5.332 -6.164 1.00 0.00 O ATOM 489 CB GLN A 33 1.525 -4.943 -6.844 1.00 0.00 C ATOM 490 CG GLN A 33 0.268 -5.440 -6.147 1.00 0.00 C ATOM 491 CD GLN A 33 0.128 -6.949 -6.201 1.00 0.00 C ATOM 492 OE1 GLN A 33 1.120 -7.677 -6.196 1.00 0.00 O ATOM 493 NE2 GLN A 33 -1.110 -7.426 -6.256 1.00 0.00 N ATOM 0 H GLN A 33 1.343 -2.662 -5.889 1.00 0.00 H new ATOM 0 HA GLN A 33 2.546 -4.914 -4.958 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.247 -4.184 -7.575 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.972 -5.769 -7.397 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.283 -5.117 -5.106 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.605 -4.981 -6.610 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.904 -6.785 -6.258 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.267 -8.433 -6.296 1.00 0.00 H new ATOM 502 N ALA A 34 4.219 -3.578 -7.484 1.00 0.00 N ATOM 503 CA ALA A 34 5.494 -3.535 -8.194 1.00 0.00 C ATOM 504 C ALA A 34 6.660 -3.344 -7.244 1.00 0.00 C ATOM 505 O ALA A 34 7.757 -3.856 -7.472 1.00 0.00 O ATOM 506 CB ALA A 34 5.475 -2.420 -9.228 1.00 0.00 C ATOM 0 H ALA A 34 3.552 -2.868 -7.787 1.00 0.00 H new ATOM 0 HA ALA A 34 5.629 -4.494 -8.694 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.430 -2.395 -9.753 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.672 -2.600 -9.943 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.309 -1.465 -8.730 1.00 0.00 H new ATOM 512 N MET A 35 6.420 -2.593 -6.190 1.00 0.00 N ATOM 513 CA MET A 35 7.463 -2.312 -5.202 1.00 0.00 C ATOM 514 C MET A 35 7.350 -3.227 -3.983 1.00 0.00 C ATOM 515 O MET A 35 8.309 -3.910 -3.623 1.00 0.00 O ATOM 516 CB MET A 35 7.396 -0.851 -4.758 1.00 0.00 C ATOM 517 CG MET A 35 8.146 0.089 -5.685 1.00 0.00 C ATOM 518 SD MET A 35 9.647 0.754 -4.937 1.00 0.00 S ATOM 519 CE MET A 35 10.703 -0.695 -4.940 1.00 0.00 C ATOM 0 H MET A 35 5.517 -2.163 -5.988 1.00 0.00 H new ATOM 0 HA MET A 35 8.424 -2.503 -5.680 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.352 -0.542 -4.704 1.00 0.00 H new ATOM 0 HB3 MET A 35 7.807 -0.764 -3.752 1.00 0.00 H new ATOM 0 HG2 MET A 35 8.406 -0.441 -6.601 1.00 0.00 H new ATOM 0 HG3 MET A 35 7.491 0.913 -5.968 1.00 0.00 H new ATOM 0 HE1 MET A 35 11.670 -0.441 -4.506 1.00 0.00 H new ATOM 0 HE2 MET A 35 10.238 -1.486 -4.351 1.00 0.00 H new ATOM 0 HE3 MET A 35 10.844 -1.040 -5.964 1.00 0.00 H new ATOM 529 N HIS A 36 6.175 -3.267 -3.371 1.00 0.00 N ATOM 530 CA HIS A 36 5.944 -4.132 -2.218 1.00 0.00 C ATOM 531 C HIS A 36 6.872 -3.815 -1.049 1.00 0.00 C ATOM 532 O HIS A 36 7.412 -4.726 -0.420 1.00 0.00 O ATOM 533 CB HIS A 36 6.117 -5.595 -2.617 1.00 0.00 C ATOM 534 CG HIS A 36 4.825 -6.267 -2.936 1.00 0.00 C ATOM 535 ND1 HIS A 36 4.713 -7.615 -3.194 1.00 0.00 N ATOM 536 CD2 HIS A 36 3.577 -5.761 -3.028 1.00 0.00 C ATOM 537 CE1 HIS A 36 3.447 -7.911 -3.435 1.00 0.00 C ATOM 538 NE2 HIS A 36 2.738 -6.802 -3.337 1.00 0.00 N ATOM 0 H HIS A 36 5.366 -2.712 -3.652 1.00 0.00 H new ATOM 0 HA HIS A 36 4.922 -3.948 -1.887 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.775 -5.654 -3.484 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.609 -6.132 -1.806 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.292 -4.729 -2.885 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.060 -8.891 -3.671 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.729 -6.730 -3.470 1.00 0.00 H new ATOM 546 N PRO A 37 7.059 -2.533 -0.706 1.00 0.00 N ATOM 547 CA PRO A 37 7.907 -2.175 0.419 1.00 0.00 C ATOM 548 C PRO A 37 7.384 -2.814 1.699 1.00 0.00 C ATOM 549 O PRO A 37 7.960 -3.779 2.202 1.00 0.00 O ATOM 550 CB PRO A 37 7.825 -0.646 0.495 1.00 0.00 C ATOM 551 CG PRO A 37 6.677 -0.249 -0.372 1.00 0.00 C ATOM 552 CD PRO A 37 6.452 -1.363 -1.352 1.00 0.00 C ATOM 0 HA PRO A 37 8.933 -2.522 0.298 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.671 -0.315 1.522 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.752 -0.188 0.148 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.783 -0.079 0.228 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.893 0.684 -0.893 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.390 -1.518 -1.543 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.920 -1.150 -2.313 1.00 0.00 H new ATOM 560 N THR A 38 6.300 -2.259 2.231 1.00 0.00 N ATOM 561 CA THR A 38 5.713 -2.768 3.468 1.00 0.00 C ATOM 562 C THR A 38 4.551 -3.717 3.181 1.00 0.00 C ATOM 563 O THR A 38 4.611 -4.895 3.525 1.00 0.00 O ATOM 564 CB THR A 38 5.243 -1.613 4.375 1.00 0.00 C ATOM 565 OG1 THR A 38 3.872 -1.314 4.146 1.00 0.00 O ATOM 566 CG2 THR A 38 6.045 -0.329 4.209 1.00 0.00 C ATOM 0 H THR A 38 5.811 -1.460 1.828 1.00 0.00 H new ATOM 0 HA THR A 38 6.490 -3.326 3.991 1.00 0.00 H new ATOM 0 HB THR A 38 5.400 -1.973 5.392 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.396 -1.285 5.002 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.653 0.434 4.881 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.091 -0.520 4.448 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.966 0.019 3.179 1.00 0.00 H new ATOM 574 N LEU A 39 3.492 -3.192 2.563 1.00 0.00 N ATOM 575 CA LEU A 39 2.308 -3.989 2.245 1.00 0.00 C ATOM 576 C LEU A 39 1.450 -3.298 1.179 1.00 0.00 C ATOM 577 O LEU A 39 0.830 -2.268 1.444 1.00 0.00 O ATOM 578 CB LEU A 39 1.476 -4.216 3.514 1.00 0.00 C ATOM 579 CG LEU A 39 0.930 -5.636 3.714 1.00 0.00 C ATOM 580 CD1 LEU A 39 -0.174 -5.936 2.712 1.00 0.00 C ATOM 581 CD2 LEU A 39 2.042 -6.670 3.607 1.00 0.00 C ATOM 0 H LEU A 39 3.431 -2.216 2.273 1.00 0.00 H new ATOM 0 HA LEU A 39 2.639 -4.949 1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.089 -3.959 4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.635 -3.523 3.502 1.00 0.00 H new ATOM 0 HG LEU A 39 0.509 -5.693 4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.546 -6.948 2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.989 -5.224 2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.221 -5.851 1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.627 -7.667 3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.502 -6.609 2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.795 -6.475 4.371 1.00 0.00 H new ATOM 593 N ALA A 40 1.419 -3.874 -0.020 1.00 0.00 N ATOM 594 CA ALA A 40 0.639 -3.337 -1.141 1.00 0.00 C ATOM 595 C ALA A 40 -0.811 -3.047 -0.771 1.00 0.00 C ATOM 596 O ALA A 40 -1.314 -1.956 -1.037 1.00 0.00 O ATOM 597 CB ALA A 40 0.718 -4.304 -2.317 1.00 0.00 C ATOM 0 H ALA A 40 1.932 -4.726 -0.246 1.00 0.00 H new ATOM 0 HA ALA A 40 1.075 -2.378 -1.420 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.140 -3.909 -3.152 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.758 -4.424 -2.620 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.313 -5.271 -2.020 1.00 0.00 H new ATOM 603 N GLY A 41 -1.488 -4.019 -0.181 1.00 0.00 N ATOM 604 CA GLY A 41 -2.881 -3.829 0.182 1.00 0.00 C ATOM 605 C GLY A 41 -3.100 -2.687 1.155 1.00 0.00 C ATOM 606 O GLY A 41 -4.018 -1.886 0.985 1.00 0.00 O ATOM 0 H GLY A 41 -1.102 -4.934 0.053 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.462 -3.643 -0.721 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.263 -4.750 0.623 1.00 0.00 H new ATOM 610 N LYS A 42 -2.270 -2.625 2.187 1.00 0.00 N ATOM 611 CA LYS A 42 -2.397 -1.585 3.200 1.00 0.00 C ATOM 612 C LYS A 42 -1.884 -0.233 2.705 1.00 0.00 C ATOM 613 O LYS A 42 -2.500 0.797 2.967 1.00 0.00 O ATOM 614 CB LYS A 42 -1.673 -1.998 4.484 1.00 0.00 C ATOM 615 CG LYS A 42 -2.620 -2.352 5.621 1.00 0.00 C ATOM 616 CD LYS A 42 -2.736 -1.220 6.631 1.00 0.00 C ATOM 617 CE LYS A 42 -4.115 -0.574 6.597 1.00 0.00 C ATOM 618 NZ LYS A 42 -5.200 -1.560 6.861 1.00 0.00 N ATOM 0 H LYS A 42 -1.504 -3.280 2.345 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.459 -1.468 3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.033 -2.855 4.273 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.021 -1.185 4.803 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.606 -2.580 5.216 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.265 -3.252 6.123 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.538 -1.604 7.632 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.976 -0.467 6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.161 0.223 7.340 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.275 -0.111 5.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.924 -1.125 7.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.632 -1.850 5.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.803 -2.394 7.339 1.00 0.00 H new ATOM 632 N ILE A 43 -0.771 -0.232 1.976 1.00 0.00 N ATOM 633 CA ILE A 43 -0.208 1.013 1.453 1.00 0.00 C ATOM 634 C ILE A 43 -1.259 1.805 0.681 1.00 0.00 C ATOM 635 O ILE A 43 -1.322 3.031 0.764 1.00 0.00 O ATOM 636 CB ILE A 43 1.011 0.744 0.531 1.00 0.00 C ATOM 637 CG1 ILE A 43 2.259 1.442 1.074 1.00 0.00 C ATOM 638 CG2 ILE A 43 0.735 1.191 -0.905 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.478 0.551 1.122 1.00 0.00 C ATOM 0 H ILE A 43 -0.244 -1.071 1.735 1.00 0.00 H new ATOM 0 HA ILE A 43 0.125 1.597 2.311 1.00 0.00 H new ATOM 0 HB ILE A 43 1.186 -0.332 0.519 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.478 2.311 0.453 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.050 1.812 2.078 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.609 0.988 -1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.122 0.644 -1.298 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.521 2.260 -0.919 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.324 1.113 1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.278 -0.305 1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.713 0.201 0.117 1.00 0.00 H new ATOM 651 N THR A 44 -2.058 1.084 -0.088 1.00 0.00 N ATOM 652 CA THR A 44 -3.091 1.692 -0.909 1.00 0.00 C ATOM 653 C THR A 44 -4.076 2.510 -0.083 1.00 0.00 C ATOM 654 O THR A 44 -4.369 3.656 -0.416 1.00 0.00 O ATOM 655 CB THR A 44 -3.836 0.608 -1.688 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.933 -0.153 -2.471 1.00 0.00 O ATOM 657 CG2 THR A 44 -4.897 1.151 -2.615 1.00 0.00 C ATOM 0 H THR A 44 -2.010 0.068 -0.161 1.00 0.00 H new ATOM 0 HA THR A 44 -2.601 2.377 -1.601 1.00 0.00 H new ATOM 0 HB THR A 44 -4.323 -0.005 -0.930 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.449 -0.781 -1.895 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.384 0.325 -3.134 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.638 1.703 -2.036 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.436 1.817 -3.344 1.00 0.00 H new ATOM 665 N GLY A 45 -4.581 1.933 1.000 1.00 0.00 N ATOM 666 CA GLY A 45 -5.522 2.656 1.834 1.00 0.00 C ATOM 667 C GLY A 45 -4.956 3.980 2.300 1.00 0.00 C ATOM 668 O GLY A 45 -5.691 4.939 2.530 1.00 0.00 O ATOM 0 H GLY A 45 -4.359 0.988 1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.443 2.830 1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.783 2.047 2.700 1.00 0.00 H new ATOM 672 N MET A 46 -3.639 4.023 2.430 1.00 0.00 N ATOM 673 CA MET A 46 -2.951 5.224 2.866 1.00 0.00 C ATOM 674 C MET A 46 -2.871 6.256 1.744 1.00 0.00 C ATOM 675 O MET A 46 -3.383 7.368 1.884 1.00 0.00 O ATOM 676 CB MET A 46 -1.557 4.866 3.377 1.00 0.00 C ATOM 677 CG MET A 46 -1.564 4.325 4.798 1.00 0.00 C ATOM 678 SD MET A 46 -2.378 2.724 4.939 1.00 0.00 S ATOM 679 CE MET A 46 -3.421 2.993 6.370 1.00 0.00 C ATOM 0 H MET A 46 -3.023 3.233 2.238 1.00 0.00 H new ATOM 0 HA MET A 46 -3.521 5.672 3.680 1.00 0.00 H new ATOM 0 HB2 MET A 46 -1.113 4.123 2.714 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.922 5.751 3.335 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.537 4.236 5.152 1.00 0.00 H new ATOM 0 HG3 MET A 46 -2.065 5.040 5.450 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.055 2.395 7.205 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.400 4.048 6.643 1.00 0.00 H new ATOM 0 HE3 MET A 46 -4.444 2.700 6.135 1.00 0.00 H new ATOM 689 N LEU A 47 -2.211 5.906 0.641 1.00 0.00 N ATOM 690 CA LEU A 47 -2.066 6.842 -0.467 1.00 0.00 C ATOM 691 C LEU A 47 -3.435 7.291 -0.965 1.00 0.00 C ATOM 692 O LEU A 47 -3.550 8.332 -1.614 1.00 0.00 O ATOM 693 CB LEU A 47 -1.258 6.211 -1.614 1.00 0.00 C ATOM 694 CG LEU A 47 0.229 5.932 -1.339 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.123 6.936 -2.068 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.539 5.924 0.148 1.00 0.00 C ATOM 0 H LEU A 47 -1.775 4.996 0.494 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.522 7.715 -0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.735 5.271 -1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.326 6.869 -2.480 1.00 0.00 H new ATOM 0 HG LEU A 47 0.442 4.936 -1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.169 6.714 -1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.949 6.866 -3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.890 7.945 -1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.600 5.723 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.289 6.894 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.050 5.148 0.638 1.00 0.00 H new ATOM 708 N LEU A 48 -4.471 6.493 -0.691 1.00 0.00 N ATOM 709 CA LEU A 48 -5.834 6.799 -1.141 1.00 0.00 C ATOM 710 C LEU A 48 -6.353 8.173 -0.677 1.00 0.00 C ATOM 711 O LEU A 48 -7.551 8.443 -0.777 1.00 0.00 O ATOM 712 CB LEU A 48 -6.789 5.691 -0.670 1.00 0.00 C ATOM 713 CG LEU A 48 -7.418 4.871 -1.799 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.453 3.807 -2.283 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.726 4.229 -1.358 1.00 0.00 C ATOM 0 H LEU A 48 -4.392 5.627 -0.158 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.799 6.844 -2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.245 5.017 -0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.586 6.143 -0.079 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.637 5.553 -2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.917 3.233 -3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.544 4.281 -2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.203 3.140 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.146 3.654 -2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.539 3.567 -0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.431 5.006 -1.061 1.00 0.00 H new ATOM 727 N GLU A 49 -5.467 9.048 -0.207 1.00 0.00 N ATOM 728 CA GLU A 49 -5.864 10.380 0.219 1.00 0.00 C ATOM 729 C GLU A 49 -6.089 11.286 -0.995 1.00 0.00 C ATOM 730 O GLU A 49 -6.535 12.426 -0.853 1.00 0.00 O ATOM 731 CB GLU A 49 -4.788 10.977 1.126 1.00 0.00 C ATOM 732 CG GLU A 49 -5.306 12.070 2.039 1.00 0.00 C ATOM 733 CD GLU A 49 -5.002 13.463 1.520 1.00 0.00 C ATOM 734 OE1 GLU A 49 -4.515 13.579 0.375 1.00 0.00 O ATOM 735 OE2 GLU A 49 -5.250 14.439 2.259 1.00 0.00 O ATOM 0 H GLU A 49 -4.470 8.855 -0.113 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.799 10.306 0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.354 10.183 1.733 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.986 11.380 0.508 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.384 11.958 2.157 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.863 11.951 3.028 1.00 0.00 H new ATOM 742 N ILE A 50 -5.778 10.769 -2.189 1.00 0.00 N ATOM 743 CA ILE A 50 -5.947 11.524 -3.428 1.00 0.00 C ATOM 744 C ILE A 50 -7.124 10.976 -4.250 1.00 0.00 C ATOM 745 O ILE A 50 -7.672 9.920 -3.935 1.00 0.00 O ATOM 746 CB ILE A 50 -4.648 11.502 -4.270 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.545 12.767 -5.133 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.579 10.249 -5.135 1.00 0.00 C ATOM 749 CD1 ILE A 50 -3.284 13.569 -4.892 1.00 0.00 C ATOM 0 H ILE A 50 -5.407 9.828 -2.320 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.167 12.557 -3.160 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.800 11.483 -3.586 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.589 12.483 -6.184 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.410 13.400 -4.938 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.657 10.258 -5.716 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.597 9.365 -4.497 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.434 10.226 -5.811 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.283 14.447 -5.537 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.247 13.885 -3.849 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.413 12.953 -5.115 1.00 0.00 H new ATOM 761 N ASP A 51 -7.488 11.689 -5.317 1.00 0.00 N ATOM 762 CA ASP A 51 -8.572 11.274 -6.205 1.00 0.00 C ATOM 763 C ASP A 51 -8.162 10.104 -7.102 1.00 0.00 C ATOM 764 O ASP A 51 -7.010 10.015 -7.521 1.00 0.00 O ATOM 765 CB ASP A 51 -9.017 12.450 -7.075 1.00 0.00 C ATOM 766 CG ASP A 51 -10.487 12.381 -7.442 1.00 0.00 C ATOM 767 OD1 ASP A 51 -11.178 11.457 -6.964 1.00 0.00 O ATOM 768 OD2 ASP A 51 -10.948 13.251 -8.210 1.00 0.00 O ATOM 0 H ASP A 51 -7.042 12.565 -5.588 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.398 10.942 -5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.822 13.383 -6.546 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.419 12.469 -7.986 1.00 0.00 H new ATOM 773 N ASN A 52 -9.118 9.229 -7.428 1.00 0.00 N ATOM 774 CA ASN A 52 -8.842 8.100 -8.315 1.00 0.00 C ATOM 775 C ASN A 52 -8.215 8.586 -9.626 1.00 0.00 C ATOM 776 O ASN A 52 -7.581 7.817 -10.349 1.00 0.00 O ATOM 777 CB ASN A 52 -10.131 7.332 -8.624 1.00 0.00 C ATOM 778 CG ASN A 52 -9.860 5.927 -9.136 1.00 0.00 C ATOM 779 OD1 ASN A 52 -8.716 5.476 -9.168 1.00 0.00 O ATOM 780 ND2 ASN A 52 -10.917 5.229 -9.540 1.00 0.00 N ATOM 0 H ASN A 52 -10.080 9.281 -7.094 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.142 7.437 -7.807 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.742 7.276 -7.723 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.709 7.881 -9.367 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.797 4.280 -9.894 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -11.848 5.642 -9.496 1.00 0.00 H new ATOM 787 N SER A 53 -8.429 9.866 -9.939 1.00 0.00 N ATOM 788 CA SER A 53 -7.920 10.458 -11.176 1.00 0.00 C ATOM 789 C SER A 53 -6.403 10.664 -11.150 1.00 0.00 C ATOM 790 O SER A 53 -5.749 10.640 -12.197 1.00 0.00 O ATOM 791 CB SER A 53 -8.621 11.792 -11.446 1.00 0.00 C ATOM 792 OG SER A 53 -9.281 11.778 -12.702 1.00 0.00 O ATOM 0 H SER A 53 -8.953 10.513 -9.350 1.00 0.00 H new ATOM 0 HA SER A 53 -8.137 9.754 -11.980 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.343 11.993 -10.655 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.891 12.601 -11.425 1.00 0.00 H new ATOM 0 HG SER A 53 -9.722 12.641 -12.849 1.00 0.00 H new ATOM 798 N GLU A 54 -5.844 10.866 -9.966 1.00 0.00 N ATOM 799 CA GLU A 54 -4.409 11.082 -9.843 1.00 0.00 C ATOM 800 C GLU A 54 -3.659 9.774 -10.035 1.00 0.00 C ATOM 801 O GLU A 54 -2.557 9.748 -10.579 1.00 0.00 O ATOM 802 CB GLU A 54 -4.073 11.679 -8.476 1.00 0.00 C ATOM 803 CG GLU A 54 -3.378 13.027 -8.557 1.00 0.00 C ATOM 804 CD GLU A 54 -1.929 12.962 -8.118 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.620 12.163 -7.209 1.00 0.00 O ATOM 806 OE2 GLU A 54 -1.103 13.709 -8.683 1.00 0.00 O ATOM 0 H GLU A 54 -6.356 10.885 -9.084 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.100 11.784 -10.618 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.992 11.787 -7.900 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.435 10.983 -7.931 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.427 13.396 -9.581 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.911 13.745 -7.933 1.00 0.00 H new ATOM 813 N LEU A 55 -4.270 8.692 -9.581 1.00 0.00 N ATOM 814 CA LEU A 55 -3.670 7.374 -9.699 1.00 0.00 C ATOM 815 C LEU A 55 -3.484 6.986 -11.153 1.00 0.00 C ATOM 816 O LEU A 55 -2.446 6.447 -11.539 1.00 0.00 O ATOM 817 CB LEU A 55 -4.541 6.351 -9.002 1.00 0.00 C ATOM 818 CG LEU A 55 -4.566 6.479 -7.487 1.00 0.00 C ATOM 819 CD1 LEU A 55 -5.883 7.069 -7.020 1.00 0.00 C ATOM 820 CD2 LEU A 55 -4.330 5.128 -6.856 1.00 0.00 C ATOM 0 H LEU A 55 -5.183 8.701 -9.126 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.688 7.402 -9.226 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.560 6.441 -9.379 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.190 5.353 -9.265 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.769 7.155 -7.177 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.880 7.152 -5.933 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.015 8.058 -7.459 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.703 6.422 -7.332 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.349 5.225 -5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.112 4.437 -7.172 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.359 4.745 -7.169 1.00 0.00 H new ATOM 832 N LEU A 56 -4.492 7.275 -11.960 1.00 0.00 N ATOM 833 CA LEU A 56 -4.435 6.969 -13.375 1.00 0.00 C ATOM 834 C LEU A 56 -3.253 7.696 -14.008 1.00 0.00 C ATOM 835 O LEU A 56 -2.593 7.179 -14.912 1.00 0.00 O ATOM 836 CB LEU A 56 -5.747 7.373 -14.049 1.00 0.00 C ATOM 837 CG LEU A 56 -7.005 6.779 -13.407 1.00 0.00 C ATOM 838 CD1 LEU A 56 -8.238 7.577 -13.800 1.00 0.00 C ATOM 839 CD2 LEU A 56 -7.169 5.319 -13.801 1.00 0.00 C ATOM 0 H LEU A 56 -5.358 7.721 -11.657 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.297 5.896 -13.511 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.827 8.460 -14.035 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.711 7.069 -15.095 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.892 6.834 -12.324 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.120 7.138 -13.333 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.126 8.608 -13.465 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.354 7.558 -14.884 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.068 4.915 -13.335 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.256 5.242 -14.885 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.301 4.752 -13.466 1.00 0.00 H new ATOM 851 N HIS A 57 -2.986 8.901 -13.509 1.00 0.00 N ATOM 852 CA HIS A 57 -1.881 9.709 -14.004 1.00 0.00 C ATOM 853 C HIS A 57 -0.527 9.086 -13.659 1.00 0.00 C ATOM 854 O HIS A 57 0.345 8.963 -14.519 1.00 0.00 O ATOM 855 CB HIS A 57 -1.958 11.124 -13.423 1.00 0.00 C ATOM 856 CG HIS A 57 -2.391 12.151 -14.418 1.00 0.00 C ATOM 857 ND1 HIS A 57 -1.718 12.386 -15.598 1.00 0.00 N ATOM 858 CD2 HIS A 57 -3.440 13.007 -14.409 1.00 0.00 C ATOM 859 CE1 HIS A 57 -2.330 13.343 -16.272 1.00 0.00 C ATOM 860 NE2 HIS A 57 -3.378 13.735 -15.573 1.00 0.00 N ATOM 0 H HIS A 57 -3.523 9.338 -12.760 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.968 9.753 -15.090 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.653 11.127 -12.583 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.980 11.401 -13.028 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -4.185 13.100 -13.633 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.025 13.737 -17.230 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -4.037 14.462 -15.852 1.00 0.00 H new ATOM 868 N MET A 58 -0.353 8.705 -12.394 1.00 0.00 N ATOM 869 CA MET A 58 0.906 8.110 -11.950 1.00 0.00 C ATOM 870 C MET A 58 1.185 6.799 -12.669 1.00 0.00 C ATOM 871 O MET A 58 2.304 6.558 -13.123 1.00 0.00 O ATOM 872 CB MET A 58 0.917 7.882 -10.439 1.00 0.00 C ATOM 873 CG MET A 58 -0.382 7.342 -9.872 1.00 0.00 C ATOM 874 SD MET A 58 -0.402 7.372 -8.069 1.00 0.00 S ATOM 875 CE MET A 58 -1.239 8.928 -7.774 1.00 0.00 C ATOM 0 H MET A 58 -1.061 8.797 -11.665 1.00 0.00 H new ATOM 0 HA MET A 58 1.694 8.820 -12.200 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.721 7.187 -10.196 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.150 8.825 -9.944 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.216 7.932 -10.253 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.530 6.319 -10.218 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.942 9.323 -6.802 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.968 9.640 -8.553 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.317 8.769 -7.787 1.00 0.00 H new ATOM 885 N LEU A 59 0.170 5.953 -12.786 1.00 0.00 N ATOM 886 CA LEU A 59 0.346 4.674 -13.463 1.00 0.00 C ATOM 887 C LEU A 59 0.789 4.919 -14.902 1.00 0.00 C ATOM 888 O LEU A 59 1.397 4.056 -15.533 1.00 0.00 O ATOM 889 CB LEU A 59 -0.954 3.863 -13.426 1.00 0.00 C ATOM 890 CG LEU A 59 -1.144 2.868 -14.577 1.00 0.00 C ATOM 891 CD1 LEU A 59 -1.891 1.635 -14.099 1.00 0.00 C ATOM 892 CD2 LEU A 59 -1.884 3.529 -15.732 1.00 0.00 C ATOM 0 H LEU A 59 -0.769 6.124 -12.428 1.00 0.00 H new ATOM 0 HA LEU A 59 1.115 4.098 -12.948 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.993 3.315 -12.485 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.795 4.557 -13.426 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.161 2.556 -14.930 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.016 0.941 -14.930 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.323 1.151 -13.304 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.870 1.927 -13.720 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.011 2.810 -16.541 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.862 3.868 -15.391 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.309 4.382 -16.092 1.00 0.00 H new ATOM 904 N GLU A 60 0.500 6.117 -15.402 1.00 0.00 N ATOM 905 CA GLU A 60 0.888 6.495 -16.753 1.00 0.00 C ATOM 906 C GLU A 60 2.219 7.258 -16.750 1.00 0.00 C ATOM 907 O GLU A 60 2.799 7.510 -17.805 1.00 0.00 O ATOM 908 CB GLU A 60 -0.205 7.347 -17.393 1.00 0.00 C ATOM 909 CG GLU A 60 -1.365 6.529 -17.933 1.00 0.00 C ATOM 910 CD GLU A 60 -1.072 5.935 -19.297 1.00 0.00 C ATOM 911 OE1 GLU A 60 -0.059 6.327 -19.911 1.00 0.00 O ATOM 912 OE2 GLU A 60 -1.855 5.073 -19.747 1.00 0.00 O ATOM 0 H GLU A 60 -0.002 6.842 -14.889 1.00 0.00 H new ATOM 0 HA GLU A 60 1.020 5.584 -17.338 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.582 8.056 -16.656 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.228 7.931 -18.205 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.596 5.726 -17.233 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.251 7.160 -17.998 1.00 0.00 H new ATOM 919 N SER A 61 2.695 7.621 -15.558 1.00 0.00 N ATOM 920 CA SER A 61 3.953 8.352 -15.421 1.00 0.00 C ATOM 921 C SER A 61 4.734 7.881 -14.187 1.00 0.00 C ATOM 922 O SER A 61 4.411 8.255 -13.059 1.00 0.00 O ATOM 923 CB SER A 61 3.679 9.859 -15.331 1.00 0.00 C ATOM 924 OG SER A 61 3.576 10.287 -13.982 1.00 0.00 O ATOM 0 H SER A 61 2.227 7.420 -14.674 1.00 0.00 H new ATOM 0 HA SER A 61 4.561 8.151 -16.303 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.480 10.406 -15.828 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.756 10.095 -15.861 1.00 0.00 H new ATOM 0 HG SER A 61 3.423 9.511 -13.403 1.00 0.00 H new ATOM 930 N PRO A 62 5.773 7.048 -14.384 1.00 0.00 N ATOM 931 CA PRO A 62 6.592 6.530 -13.279 1.00 0.00 C ATOM 932 C PRO A 62 7.133 7.637 -12.379 1.00 0.00 C ATOM 933 O PRO A 62 7.328 7.439 -11.180 1.00 0.00 O ATOM 934 CB PRO A 62 7.748 5.826 -13.993 1.00 0.00 C ATOM 935 CG PRO A 62 7.205 5.458 -15.328 1.00 0.00 C ATOM 936 CD PRO A 62 6.228 6.542 -15.692 1.00 0.00 C ATOM 0 HA PRO A 62 6.013 5.883 -12.620 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.614 6.482 -14.086 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.074 4.944 -13.442 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.003 5.387 -16.068 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.714 4.485 -15.295 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.700 7.326 -16.284 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.399 6.153 -16.283 1.00 0.00 H new ATOM 944 N GLU A 63 7.385 8.797 -12.972 1.00 0.00 N ATOM 945 CA GLU A 63 7.921 9.941 -12.240 1.00 0.00 C ATOM 946 C GLU A 63 7.030 10.322 -11.061 1.00 0.00 C ATOM 947 O GLU A 63 7.491 10.415 -9.924 1.00 0.00 O ATOM 948 CB GLU A 63 8.078 11.138 -13.178 1.00 0.00 C ATOM 949 CG GLU A 63 6.836 11.439 -14.002 1.00 0.00 C ATOM 950 CD GLU A 63 7.165 11.959 -15.386 1.00 0.00 C ATOM 951 OE1 GLU A 63 8.269 11.659 -15.886 1.00 0.00 O ATOM 952 OE2 GLU A 63 6.318 12.667 -15.970 1.00 0.00 O ATOM 0 H GLU A 63 7.226 8.972 -13.964 1.00 0.00 H new ATOM 0 HA GLU A 63 8.896 9.655 -11.846 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.334 12.018 -12.589 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.914 10.952 -13.852 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.236 10.533 -14.092 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.226 12.175 -13.477 1.00 0.00 H new ATOM 959 N SER A 64 5.753 10.543 -11.340 1.00 0.00 N ATOM 960 CA SER A 64 4.799 10.917 -10.310 1.00 0.00 C ATOM 961 C SER A 64 4.405 9.692 -9.509 1.00 0.00 C ATOM 962 O SER A 64 4.111 9.776 -8.318 1.00 0.00 O ATOM 963 CB SER A 64 3.558 11.555 -10.941 1.00 0.00 C ATOM 964 OG SER A 64 3.722 12.955 -11.087 1.00 0.00 O ATOM 0 H SER A 64 5.354 10.469 -12.276 1.00 0.00 H new ATOM 0 HA SER A 64 5.263 11.645 -9.645 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.369 11.104 -11.915 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.685 11.351 -10.321 1.00 0.00 H new ATOM 0 HG SER A 64 2.917 13.338 -11.494 1.00 0.00 H new ATOM 970 N LEU A 65 4.397 8.554 -10.186 1.00 0.00 N ATOM 971 CA LEU A 65 4.034 7.299 -9.565 1.00 0.00 C ATOM 972 C LEU A 65 4.924 7.014 -8.372 1.00 0.00 C ATOM 973 O LEU A 65 4.457 6.985 -7.233 1.00 0.00 O ATOM 974 CB LEU A 65 4.138 6.168 -10.592 1.00 0.00 C ATOM 975 CG LEU A 65 4.010 4.745 -10.041 1.00 0.00 C ATOM 976 CD1 LEU A 65 5.374 4.200 -9.643 1.00 0.00 C ATOM 977 CD2 LEU A 65 3.051 4.706 -8.864 1.00 0.00 C ATOM 0 H LEU A 65 4.641 8.479 -11.174 1.00 0.00 H new ATOM 0 HA LEU A 65 3.006 7.366 -9.210 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.364 6.316 -11.345 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.098 6.254 -11.101 1.00 0.00 H new ATOM 0 HG LEU A 65 3.604 4.110 -10.829 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.262 3.188 -9.254 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.028 4.183 -10.515 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.811 4.838 -8.875 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.976 3.685 -8.489 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.421 5.357 -8.072 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.067 5.048 -9.185 1.00 0.00 H new ATOM 989 N ARG A 66 6.205 6.807 -8.623 1.00 0.00 N ATOM 990 CA ARG A 66 7.131 6.525 -7.535 1.00 0.00 C ATOM 991 C ARG A 66 7.133 7.666 -6.527 1.00 0.00 C ATOM 992 O ARG A 66 7.428 7.471 -5.351 1.00 0.00 O ATOM 993 CB ARG A 66 8.543 6.293 -8.068 1.00 0.00 C ATOM 994 CG ARG A 66 9.244 5.109 -7.418 1.00 0.00 C ATOM 995 CD ARG A 66 10.430 5.550 -6.576 1.00 0.00 C ATOM 996 NE ARG A 66 11.702 5.184 -7.195 1.00 0.00 N ATOM 997 CZ ARG A 66 12.278 5.876 -8.176 1.00 0.00 C ATOM 998 NH1 ARG A 66 11.722 6.991 -8.631 1.00 0.00 N ATOM 999 NH2 ARG A 66 13.420 5.455 -8.699 1.00 0.00 N ATOM 0 H ARG A 66 6.624 6.828 -9.553 1.00 0.00 H new ATOM 0 HA ARG A 66 6.797 5.615 -7.036 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.496 6.132 -9.145 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.137 7.192 -7.906 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.536 4.566 -6.792 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.583 4.418 -8.190 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.393 6.630 -6.433 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.363 5.096 -5.588 1.00 0.00 H new ATOM 0 HE ARG A 66 12.177 4.348 -6.855 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.846 7.325 -8.229 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.170 7.515 -9.383 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.857 4.602 -8.350 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.862 5.984 -9.451 1.00 0.00 H new ATOM 1013 N SER A 67 6.797 8.859 -6.999 1.00 0.00 N ATOM 1014 CA SER A 67 6.755 10.040 -6.148 1.00 0.00 C ATOM 1015 C SER A 67 5.831 9.839 -4.945 1.00 0.00 C ATOM 1016 O SER A 67 6.210 10.123 -3.810 1.00 0.00 O ATOM 1017 CB SER A 67 6.293 11.247 -6.964 1.00 0.00 C ATOM 1018 OG SER A 67 7.226 12.310 -6.874 1.00 0.00 O ATOM 0 H SER A 67 6.548 9.035 -7.972 1.00 0.00 H new ATOM 0 HA SER A 67 7.761 10.215 -5.767 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.166 10.958 -8.007 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.320 11.582 -6.605 1.00 0.00 H new ATOM 0 HG SER A 67 6.909 13.070 -7.406 1.00 0.00 H new ATOM 1024 N LYS A 68 4.618 9.360 -5.199 1.00 0.00 N ATOM 1025 CA LYS A 68 3.642 9.144 -4.129 1.00 0.00 C ATOM 1026 C LYS A 68 3.884 7.826 -3.402 1.00 0.00 C ATOM 1027 O LYS A 68 3.936 7.788 -2.173 1.00 0.00 O ATOM 1028 CB LYS A 68 2.212 9.179 -4.682 1.00 0.00 C ATOM 1029 CG LYS A 68 2.057 9.991 -5.959 1.00 0.00 C ATOM 1030 CD LYS A 68 2.543 11.421 -5.775 1.00 0.00 C ATOM 1031 CE LYS A 68 2.322 12.257 -7.028 1.00 0.00 C ATOM 1032 NZ LYS A 68 0.997 11.989 -7.656 1.00 0.00 N ATOM 0 H LYS A 68 4.285 9.114 -6.131 1.00 0.00 H new ATOM 0 HA LYS A 68 3.767 9.955 -3.411 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.883 8.157 -4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.550 9.591 -3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.618 9.516 -6.764 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.010 9.998 -6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.019 11.878 -4.936 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.604 11.415 -5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.395 13.315 -6.775 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.113 12.046 -7.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.817 12.693 -8.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.997 11.036 -8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.252 12.051 -6.933 1.00 0.00 H new ATOM 1046 N VAL A 69 4.049 6.748 -4.160 1.00 0.00 N ATOM 1047 CA VAL A 69 4.303 5.436 -3.577 1.00 0.00 C ATOM 1048 C VAL A 69 5.542 5.467 -2.695 1.00 0.00 C ATOM 1049 O VAL A 69 5.493 5.097 -1.523 1.00 0.00 O ATOM 1050 CB VAL A 69 4.521 4.366 -4.663 1.00 0.00 C ATOM 1051 CG1 VAL A 69 4.637 2.985 -4.033 1.00 0.00 C ATOM 1052 CG2 VAL A 69 3.406 4.404 -5.697 1.00 0.00 C ATOM 0 H VAL A 69 4.011 6.757 -5.179 1.00 0.00 H new ATOM 0 HA VAL A 69 3.423 5.182 -2.986 1.00 0.00 H new ATOM 0 HB VAL A 69 5.456 4.586 -5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.791 2.240 -4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.482 2.969 -3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.721 2.756 -3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.584 3.639 -6.452 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.450 4.216 -5.208 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.384 5.385 -6.172 1.00 0.00 H new ATOM 1062 N ASP A 70 6.655 5.910 -3.273 1.00 0.00 N ATOM 1063 CA ASP A 70 7.919 5.987 -2.542 1.00 0.00 C ATOM 1064 C ASP A 70 7.701 6.667 -1.203 1.00 0.00 C ATOM 1065 O ASP A 70 7.978 6.093 -0.149 1.00 0.00 O ATOM 1066 CB ASP A 70 8.976 6.747 -3.348 1.00 0.00 C ATOM 1067 CG ASP A 70 10.340 6.717 -2.684 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.476 7.285 -1.581 1.00 0.00 O ATOM 1069 OD2 ASP A 70 11.272 6.125 -3.270 1.00 0.00 O ATOM 0 H ASP A 70 6.709 6.221 -4.243 1.00 0.00 H new ATOM 0 HA ASP A 70 8.281 4.972 -2.378 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.050 6.313 -4.345 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.659 7.782 -3.474 1.00 0.00 H new ATOM 1074 N GLU A 71 7.189 7.891 -1.252 1.00 0.00 N ATOM 1075 CA GLU A 71 6.916 8.649 -0.043 1.00 0.00 C ATOM 1076 C GLU A 71 6.147 7.789 0.944 1.00 0.00 C ATOM 1077 O GLU A 71 6.485 7.737 2.126 1.00 0.00 O ATOM 1078 CB GLU A 71 6.142 9.915 -0.390 1.00 0.00 C ATOM 1079 CG GLU A 71 7.027 11.146 -0.541 1.00 0.00 C ATOM 1080 CD GLU A 71 8.312 10.874 -1.301 1.00 0.00 C ATOM 1081 OE1 GLU A 71 8.300 10.011 -2.203 1.00 0.00 O ATOM 1082 OE2 GLU A 71 9.332 11.529 -0.994 1.00 0.00 O ATOM 0 H GLU A 71 6.955 8.378 -2.118 1.00 0.00 H new ATOM 0 HA GLU A 71 7.857 8.942 0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.595 9.754 -1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.401 10.103 0.387 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.467 11.926 -1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.273 11.531 0.449 1.00 0.00 H new ATOM 1089 N ALA A 72 5.126 7.093 0.443 1.00 0.00 N ATOM 1090 CA ALA A 72 4.320 6.206 1.270 1.00 0.00 C ATOM 1091 C ALA A 72 5.213 5.373 2.165 1.00 0.00 C ATOM 1092 O ALA A 72 5.039 5.321 3.379 1.00 0.00 O ATOM 1093 CB ALA A 72 3.505 5.276 0.386 1.00 0.00 C ATOM 0 H ALA A 72 4.840 7.129 -0.535 1.00 0.00 H new ATOM 0 HA ALA A 72 3.654 6.813 1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.904 4.615 1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.849 5.865 -0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.177 4.680 -0.232 1.00 0.00 H new ATOM 1099 N VAL A 73 6.178 4.725 1.538 1.00 0.00 N ATOM 1100 CA VAL A 73 7.118 3.885 2.248 1.00 0.00 C ATOM 1101 C VAL A 73 7.762 4.630 3.409 1.00 0.00 C ATOM 1102 O VAL A 73 7.932 4.076 4.488 1.00 0.00 O ATOM 1103 CB VAL A 73 8.211 3.352 1.309 1.00 0.00 C ATOM 1104 CG1 VAL A 73 9.070 2.324 2.028 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.586 2.759 0.051 1.00 0.00 C ATOM 0 H VAL A 73 6.330 4.767 0.530 1.00 0.00 H new ATOM 0 HA VAL A 73 6.552 3.041 2.644 1.00 0.00 H new ATOM 0 HB VAL A 73 8.853 4.181 1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.840 1.955 1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.541 2.786 2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.446 1.492 2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.373 2.385 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.923 1.939 0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.015 3.528 -0.469 1.00 0.00 H new ATOM 1115 N ALA A 74 8.112 5.886 3.193 1.00 0.00 N ATOM 1116 CA ALA A 74 8.725 6.681 4.244 1.00 0.00 C ATOM 1117 C ALA A 74 7.689 7.074 5.299 1.00 0.00 C ATOM 1118 O ALA A 74 7.837 6.759 6.479 1.00 0.00 O ATOM 1119 CB ALA A 74 9.391 7.911 3.651 1.00 0.00 C ATOM 0 H ALA A 74 7.984 6.375 2.307 1.00 0.00 H new ATOM 0 HA ALA A 74 9.490 6.079 4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.846 8.498 4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.160 7.603 2.943 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.645 8.516 3.136 1.00 0.00 H new ATOM 1125 N VAL A 75 6.645 7.768 4.858 1.00 0.00 N ATOM 1126 CA VAL A 75 5.576 8.215 5.750 1.00 0.00 C ATOM 1127 C VAL A 75 4.857 7.053 6.430 1.00 0.00 C ATOM 1128 O VAL A 75 4.871 6.925 7.655 1.00 0.00 O ATOM 1129 CB VAL A 75 4.535 9.059 4.979 1.00 0.00 C ATOM 1130 CG1 VAL A 75 4.098 8.392 3.680 1.00 0.00 C ATOM 1131 CG2 VAL A 75 3.333 9.401 5.857 1.00 0.00 C ATOM 0 H VAL A 75 6.514 8.035 3.882 1.00 0.00 H new ATOM 0 HA VAL A 75 6.056 8.820 6.520 1.00 0.00 H new ATOM 0 HB VAL A 75 5.027 9.993 4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.367 9.023 3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.964 8.252 3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.650 7.423 3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.621 9.995 5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.853 8.481 6.191 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.666 9.972 6.724 1.00 0.00 H new ATOM 1141 N LEU A 76 4.202 6.241 5.620 1.00 0.00 N ATOM 1142 CA LEU A 76 3.425 5.101 6.113 1.00 0.00 C ATOM 1143 C LEU A 76 4.231 4.238 7.074 1.00 0.00 C ATOM 1144 O LEU A 76 3.792 3.956 8.189 1.00 0.00 O ATOM 1145 CB LEU A 76 2.937 4.252 4.935 1.00 0.00 C ATOM 1146 CG LEU A 76 2.365 2.879 5.302 1.00 0.00 C ATOM 1147 CD1 LEU A 76 1.085 2.609 4.530 1.00 0.00 C ATOM 1148 CD2 LEU A 76 3.390 1.788 5.029 1.00 0.00 C ATOM 0 H LEU A 76 4.189 6.346 4.606 1.00 0.00 H new ATOM 0 HA LEU A 76 2.570 5.497 6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.172 4.813 4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.769 4.107 4.245 1.00 0.00 H new ATOM 0 HG LEU A 76 2.130 2.877 6.366 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.694 1.629 4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.347 3.374 4.770 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.294 2.630 3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.969 0.818 5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.653 1.792 3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.284 1.971 5.625 1.00 0.00 H new ATOM 1160 N GLN A 77 5.407 3.815 6.637 1.00 0.00 N ATOM 1161 CA GLN A 77 6.253 2.983 7.479 1.00 0.00 C ATOM 1162 C GLN A 77 6.415 3.637 8.854 1.00 0.00 C ATOM 1163 O GLN A 77 6.506 2.955 9.874 1.00 0.00 O ATOM 1164 CB GLN A 77 7.619 2.758 6.832 1.00 0.00 C ATOM 1165 CG GLN A 77 8.273 1.450 7.239 1.00 0.00 C ATOM 1166 CD GLN A 77 9.746 1.402 6.886 1.00 0.00 C ATOM 1167 OE1 GLN A 77 10.414 2.434 6.820 1.00 0.00 O ATOM 1168 NE2 GLN A 77 10.260 0.199 6.654 1.00 0.00 N ATOM 0 H GLN A 77 5.793 4.030 5.718 1.00 0.00 H new ATOM 0 HA GLN A 77 5.775 2.010 7.598 1.00 0.00 H new ATOM 0 HB2 GLN A 77 7.506 2.777 5.748 1.00 0.00 H new ATOM 0 HB3 GLN A 77 8.279 3.584 7.098 1.00 0.00 H new ATOM 0 HG2 GLN A 77 8.156 1.308 8.313 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.759 0.623 6.750 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.669 -0.630 6.720 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.246 0.104 6.410 1.00 0.00 H new ATOM 1177 N ALA A 78 6.434 4.971 8.861 1.00 0.00 N ATOM 1178 CA ALA A 78 6.560 5.743 10.096 1.00 0.00 C ATOM 1179 C ALA A 78 5.218 5.889 10.813 1.00 0.00 C ATOM 1180 O ALA A 78 5.094 5.556 11.992 1.00 0.00 O ATOM 1181 CB ALA A 78 7.150 7.114 9.802 1.00 0.00 C ATOM 0 H ALA A 78 6.363 5.541 8.018 1.00 0.00 H new ATOM 0 HA ALA A 78 7.231 5.197 10.759 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.238 7.679 10.730 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.136 6.997 9.353 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.499 7.650 9.112 1.00 0.00 H new ATOM 1187 N HIS A 79 4.216 6.401 10.095 1.00 0.00 N ATOM 1188 CA HIS A 79 2.883 6.605 10.663 1.00 0.00 C ATOM 1189 C HIS A 79 2.215 5.282 11.036 1.00 0.00 C ATOM 1190 O HIS A 79 1.133 5.271 11.625 1.00 0.00 O ATOM 1191 CB HIS A 79 2.001 7.377 9.676 1.00 0.00 C ATOM 1192 CG HIS A 79 1.884 8.835 9.997 1.00 0.00 C ATOM 1193 ND1 HIS A 79 1.221 9.311 11.109 1.00 0.00 N ATOM 1194 CD2 HIS A 79 2.352 9.927 9.346 1.00 0.00 C ATOM 1195 CE1 HIS A 79 1.286 10.630 11.130 1.00 0.00 C ATOM 1196 NE2 HIS A 79 1.966 11.030 10.071 1.00 0.00 N ATOM 0 H HIS A 79 4.303 6.682 9.118 1.00 0.00 H new ATOM 0 HA HIS A 79 3.001 7.186 11.577 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.409 7.265 8.671 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.005 6.934 9.667 1.00 0.00 H new ATOM 0 HD2 HIS A 79 2.922 9.931 8.429 1.00 0.00 H new ATOM 0 HE1 HIS A 79 0.856 11.272 11.885 1.00 0.00 H new ATOM 0 HE2 HIS A 79 2.172 12.000 9.830 1.00 0.00 H new ATOM 1536 N LYS B 5 5.314 13.336 4.299 1.00 0.00 N ATOM 1537 CA LYS B 5 5.682 12.988 2.931 1.00 0.00 C ATOM 1538 C LYS B 5 4.658 13.531 1.933 1.00 0.00 C ATOM 1539 O LYS B 5 3.764 14.292 2.301 1.00 0.00 O ATOM 1540 CB LYS B 5 5.803 11.470 2.797 1.00 0.00 C ATOM 1541 CG LYS B 5 6.967 10.881 3.581 1.00 0.00 C ATOM 1542 CD LYS B 5 8.286 11.040 2.836 1.00 0.00 C ATOM 1543 CE LYS B 5 9.194 12.054 3.511 1.00 0.00 C ATOM 1544 NZ LYS B 5 10.387 12.367 2.678 1.00 0.00 N ATOM 0 HA LYS B 5 6.646 13.445 2.705 1.00 0.00 H new ATOM 0 HB2 LYS B 5 4.876 11.008 3.137 1.00 0.00 H new ATOM 0 HB3 LYS B 5 5.919 11.214 1.744 1.00 0.00 H new ATOM 0 HG2 LYS B 5 7.036 11.371 4.552 1.00 0.00 H new ATOM 0 HG3 LYS B 5 6.781 9.824 3.770 1.00 0.00 H new ATOM 0 HD2 LYS B 5 8.793 10.076 2.783 1.00 0.00 H new ATOM 0 HD3 LYS B 5 8.089 11.353 1.811 1.00 0.00 H new ATOM 0 HE2 LYS B 5 8.636 12.970 3.705 1.00 0.00 H new ATOM 0 HE3 LYS B 5 9.517 11.667 4.477 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 10.982 13.062 3.172 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 10.934 11.498 2.514 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 10.080 12.760 1.766 1.00 0.00 H new ATOM 1558 N LEU B 6 4.790 13.129 0.671 1.00 0.00 N ATOM 1559 CA LEU B 6 3.874 13.569 -0.379 1.00 0.00 C ATOM 1560 C LEU B 6 2.489 12.988 -0.135 1.00 0.00 C ATOM 1561 O LEU B 6 1.476 13.667 -0.302 1.00 0.00 O ATOM 1562 CB LEU B 6 4.382 13.132 -1.760 1.00 0.00 C ATOM 1563 CG LEU B 6 5.548 13.952 -2.326 1.00 0.00 C ATOM 1564 CD1 LEU B 6 6.513 13.060 -3.096 1.00 0.00 C ATOM 1565 CD2 LEU B 6 5.028 15.065 -3.221 1.00 0.00 C ATOM 0 H LEU B 6 5.524 12.498 0.350 1.00 0.00 H new ATOM 0 HA LEU B 6 3.820 14.657 -0.356 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.690 12.088 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU B 6 3.552 13.180 -2.465 1.00 0.00 H new ATOM 0 HG LEU B 6 6.088 14.399 -1.491 1.00 0.00 H new ATOM 0 HD11 LEU B 6 7.332 13.663 -3.488 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.912 12.295 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.986 12.582 -3.922 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.868 15.638 -3.615 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.464 14.633 -4.048 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.379 15.723 -2.643 1.00 0.00 H new ATOM 1577 N SER B 7 2.460 11.728 0.282 1.00 0.00 N ATOM 1578 CA SER B 7 1.213 11.043 0.575 1.00 0.00 C ATOM 1579 C SER B 7 0.887 11.173 2.065 1.00 0.00 C ATOM 1580 O SER B 7 1.205 12.191 2.681 1.00 0.00 O ATOM 1581 CB SER B 7 1.324 9.575 0.166 1.00 0.00 C ATOM 1582 OG SER B 7 0.123 8.879 0.438 1.00 0.00 O ATOM 0 H SER B 7 3.294 11.159 0.425 1.00 0.00 H new ATOM 0 HA SER B 7 0.403 11.499 0.006 1.00 0.00 H new ATOM 0 HB2 SER B 7 1.555 9.507 -0.897 1.00 0.00 H new ATOM 0 HB3 SER B 7 2.149 9.106 0.702 1.00 0.00 H new ATOM 0 HG SER B 7 -0.635 9.496 0.370 1.00 0.00 H new ATOM 1588 N VAL B 8 0.258 10.151 2.645 1.00 0.00 N ATOM 1589 CA VAL B 8 -0.093 10.180 4.060 1.00 0.00 C ATOM 1590 C VAL B 8 -0.798 8.891 4.479 1.00 0.00 C ATOM 1591 O VAL B 8 -1.386 8.197 3.650 1.00 0.00 O ATOM 1592 CB VAL B 8 -0.996 11.387 4.387 1.00 0.00 C ATOM 1593 CG1 VAL B 8 -2.294 11.309 3.601 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.270 11.469 5.882 1.00 0.00 C ATOM 0 H VAL B 8 -0.017 9.298 2.158 1.00 0.00 H new ATOM 0 HA VAL B 8 0.838 10.274 4.619 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.473 12.297 4.092 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -2.919 12.168 3.844 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.074 11.311 2.534 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.822 10.392 3.861 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -1.909 12.328 6.088 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.770 10.558 6.211 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -0.328 11.580 6.419 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.727 8.574 5.769 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.346 7.368 6.310 1.00 0.00 C ATOM 1606 C ASN B 9 -2.867 7.516 6.447 1.00 0.00 C ATOM 1607 O ASN B 9 -3.423 7.225 7.505 1.00 0.00 O ATOM 1608 CB ASN B 9 -0.744 7.058 7.683 1.00 0.00 C ATOM 1609 CG ASN B 9 -0.623 5.573 7.946 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -1.202 5.050 8.898 1.00 0.00 O ATOM 1611 ND2 ASN B 9 0.136 4.887 7.104 1.00 0.00 N ATOM 0 H ASN B 9 -0.242 9.141 6.464 1.00 0.00 H new ATOM 0 HA ASN B 9 -1.149 6.553 5.614 1.00 0.00 H new ATOM 0 HB2 ASN B 9 0.242 7.517 7.755 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -1.363 7.511 8.457 1.00 0.00 H new ATOM 0 HD21 ASN B 9 0.260 3.883 7.231 1.00 0.00 H new ATOM 0 HD22 ASN B 9 0.597 5.363 6.329 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.541 7.980 5.395 1.00 0.00 N ATOM 1619 CA ALA B 10 -4.988 8.177 5.442 1.00 0.00 C ATOM 1620 C ALA B 10 -5.739 6.878 5.759 1.00 0.00 C ATOM 1621 O ALA B 10 -5.120 5.863 6.080 1.00 0.00 O ATOM 1622 CB ALA B 10 -5.461 8.768 4.123 1.00 0.00 C ATOM 0 H ALA B 10 -3.110 8.225 4.504 1.00 0.00 H new ATOM 0 HA ALA B 10 -5.210 8.871 6.253 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -6.540 8.915 4.157 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -4.969 9.726 3.956 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -5.213 8.086 3.309 1.00 0.00 H new ATOM 1628 N PRO B 11 -7.094 6.899 5.688 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.930 5.724 5.978 1.00 0.00 C ATOM 1630 C PRO B 11 -7.473 4.477 5.228 1.00 0.00 C ATOM 1631 O PRO B 11 -6.350 4.416 4.736 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.317 6.156 5.503 1.00 0.00 C ATOM 1633 CG PRO B 11 -9.315 7.635 5.658 1.00 0.00 C ATOM 1634 CD PRO B 11 -7.917 8.076 5.332 1.00 0.00 C ATOM 0 HA PRO B 11 -7.888 5.446 7.031 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.491 5.865 4.467 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -10.103 5.695 6.100 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -10.038 8.100 4.988 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.590 7.923 6.673 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.813 8.335 4.278 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.629 8.956 5.907 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.362 3.496 5.103 1.00 0.00 N ATOM 1643 CA GLU B 12 -8.061 2.275 4.367 1.00 0.00 C ATOM 1644 C GLU B 12 -8.296 2.462 2.868 1.00 0.00 C ATOM 1645 O GLU B 12 -8.546 3.573 2.399 1.00 0.00 O ATOM 1646 CB GLU B 12 -8.910 1.118 4.897 1.00 0.00 C ATOM 1647 CG GLU B 12 -8.160 0.211 5.861 1.00 0.00 C ATOM 1648 CD GLU B 12 -7.887 -1.162 5.279 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -8.758 -2.047 5.414 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -6.801 -1.354 4.694 1.00 0.00 O ATOM 0 H GLU B 12 -9.299 3.524 5.504 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.007 2.040 4.516 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.789 1.522 5.399 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -9.268 0.525 4.056 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -7.215 0.680 6.134 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -8.739 0.104 6.778 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.232 1.357 2.129 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.457 1.395 0.687 1.00 0.00 C ATOM 1659 C PHE B 13 -9.845 0.863 0.346 1.00 0.00 C ATOM 1660 O PHE B 13 -10.167 -0.299 0.597 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.376 0.634 -0.084 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.317 -0.842 0.185 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -6.827 -1.329 1.386 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.729 -1.742 -0.780 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -6.755 -2.690 1.615 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.654 -3.101 -0.557 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.170 -3.573 0.638 1.00 0.00 C ATOM 0 H PHE B 13 -8.028 0.430 2.502 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.398 2.438 0.376 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.538 0.786 -1.151 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.406 1.070 0.156 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -6.499 -0.639 2.150 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -8.114 -1.376 -1.720 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.375 -3.062 2.555 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -7.976 -3.793 -1.321 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.114 -4.637 0.814 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.649 1.735 -0.256 1.00 0.00 N ATOM 1678 CA TYR B 14 -12.002 1.397 -0.681 1.00 0.00 C ATOM 1679 C TYR B 14 -12.141 1.536 -2.203 1.00 0.00 C ATOM 1680 O TYR B 14 -11.231 2.040 -2.865 1.00 0.00 O ATOM 1681 CB TYR B 14 -13.019 2.271 0.058 1.00 0.00 C ATOM 1682 CG TYR B 14 -13.689 1.552 1.213 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -12.965 1.191 2.343 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -15.040 1.228 1.171 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -13.567 0.529 3.396 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -15.649 0.565 2.219 1.00 0.00 C ATOM 1687 CZ TYR B 14 -14.910 0.218 3.329 1.00 0.00 C ATOM 1688 OH TYR B 14 -15.517 -0.444 4.374 1.00 0.00 O ATOM 0 H TYR B 14 -10.379 2.697 -0.463 1.00 0.00 H new ATOM 0 HA TYR B 14 -12.204 0.356 -0.427 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -12.518 3.163 0.434 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.781 2.606 -0.646 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -11.914 1.432 2.399 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -15.624 1.499 0.304 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -12.990 0.256 4.267 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -16.700 0.320 2.168 1.00 0.00 H new ATOM 0 HH TYR B 14 -16.464 -0.584 4.166 1.00 0.00 H new ATOM 1698 N PRO B 15 -13.277 1.100 -2.781 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.518 1.188 -4.231 1.00 0.00 C ATOM 1700 C PRO B 15 -13.595 2.624 -4.744 1.00 0.00 C ATOM 1701 O PRO B 15 -14.654 3.259 -4.727 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.865 0.496 -4.418 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.520 0.569 -3.085 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.412 0.481 -2.079 1.00 0.00 C ATOM 0 HA PRO B 15 -12.700 0.734 -4.790 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.463 0.995 -5.180 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.737 -0.538 -4.739 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -16.076 1.500 -2.973 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -16.232 -0.246 -2.954 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.658 1.014 -1.161 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -14.200 -0.552 -1.801 1.00 0.00 H new ATOM 1712 N SER B 16 -12.467 3.115 -5.236 1.00 0.00 N ATOM 1713 CA SER B 16 -12.378 4.464 -5.784 1.00 0.00 C ATOM 1714 C SER B 16 -13.448 4.688 -6.842 1.00 0.00 C ATOM 1715 O SER B 16 -14.261 5.608 -6.740 1.00 0.00 O ATOM 1716 CB SER B 16 -10.997 4.674 -6.393 1.00 0.00 C ATOM 1717 OG SER B 16 -10.451 5.932 -6.027 1.00 0.00 O ATOM 0 H SER B 16 -11.591 2.594 -5.268 1.00 0.00 H new ATOM 0 HA SER B 16 -12.537 5.181 -4.978 1.00 0.00 H new ATOM 0 HB2 SER B 16 -10.329 3.877 -6.065 1.00 0.00 H new ATOM 0 HB3 SER B 16 -11.064 4.607 -7.479 1.00 0.00 H new ATOM 0 HG SER B 16 -10.338 5.969 -5.054 1.00 0.00 H new ATOM 1723 N GLY B 17 -13.447 3.832 -7.853 1.00 0.00 N ATOM 1724 CA GLY B 17 -14.422 3.939 -8.916 1.00 0.00 C ATOM 1725 C GLY B 17 -15.717 3.242 -8.567 1.00 0.00 C ATOM 1726 O GLY B 17 -16.189 2.383 -9.311 1.00 0.00 O ATOM 0 H GLY B 17 -12.785 3.063 -7.955 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.620 4.991 -9.122 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -14.012 3.507 -9.829 1.00 0.00 H new ATOM 1730 N TYR B 18 -16.303 3.621 -7.435 1.00 0.00 N ATOM 1731 CA TYR B 18 -17.557 3.033 -7.003 1.00 0.00 C ATOM 1732 C TYR B 18 -18.687 3.426 -7.948 1.00 0.00 C ATOM 1733 O TYR B 18 -18.870 4.603 -8.258 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.886 3.478 -5.581 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.463 2.376 -4.732 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.897 1.111 -4.741 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.573 2.596 -3.930 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.422 0.090 -3.972 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -20.104 1.583 -3.154 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.524 0.332 -3.180 1.00 0.00 C ATOM 1741 OH TYR B 18 -20.050 -0.681 -2.410 1.00 0.00 O ATOM 0 H TYR B 18 -15.928 4.330 -6.806 1.00 0.00 H new ATOM 0 HA TYR B 18 -17.452 1.948 -7.019 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -16.980 3.856 -5.107 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.594 4.306 -5.621 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -17.032 0.920 -5.359 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -20.030 3.575 -3.912 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.972 -0.891 -3.991 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -20.967 1.770 -2.532 1.00 0.00 H new ATOM 0 HH TYR B 18 -20.370 -1.402 -2.992 1.00 0.00 H new