USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 473 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 5 LYS NZ :NH3+ -105:sc= 0.0407 (180deg=0) USER MOD Set 1.2: A 65 THR OG1 : rot -150:sc= -0.116 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -60:sc= -3.59! USER MOD Single : A 11 CYS SG : rot -53:sc= 0.284 USER MOD Single : A 13 SER OG : rot 67:sc= 0.405 USER MOD Single : A 14 CYS SG : rot 140:sc= 0.0734 USER MOD Single : A 17 HIS : no HD1:sc= -0.087 X(o=-0.087,f=-0.0057) USER MOD Single : A 19 LYS NZ :NH3+ 172:sc= 1.26 (180deg=1.08) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0118 X(o=-0.012,f=-0.012) USER MOD Single : A 30 SER OG : rot 180:sc= -0.291 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 48 THR OG1 : rot 164:sc= 0.313 USER MOD Single : A 49 SER OG : rot 180:sc= 0.133 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0913 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 34 N HIS A 3 -2.414 0.357 -1.862 1.00 0.00 N ATOM 35 CA HIS A 3 -3.608 1.166 -1.651 1.00 0.00 C ATOM 36 C HIS A 3 -3.322 2.615 -2.013 1.00 0.00 C ATOM 37 O HIS A 3 -2.342 3.193 -1.555 1.00 0.00 O ATOM 38 CB HIS A 3 -4.136 1.051 -0.204 1.00 0.00 C ATOM 39 CG HIS A 3 -3.150 1.383 0.883 1.00 0.00 C ATOM 40 ND1 HIS A 3 -2.406 0.426 1.542 1.00 0.00 N ATOM 41 CD2 HIS A 3 -2.817 2.569 1.452 1.00 0.00 C ATOM 42 CE1 HIS A 3 -1.660 1.008 2.466 1.00 0.00 C ATOM 43 NE2 HIS A 3 -1.892 2.306 2.429 1.00 0.00 N ATOM 0 HA HIS A 3 -4.393 0.785 -2.304 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.999 1.709 -0.099 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.491 0.033 -0.047 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.208 3.540 1.185 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -0.978 0.506 3.136 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -1.453 3.003 3.031 1.00 0.00 H new ATOM 52 N LEU A 4 -4.159 3.182 -2.866 1.00 0.00 N ATOM 53 CA LEU A 4 -3.963 4.549 -3.324 1.00 0.00 C ATOM 54 C LEU A 4 -5.002 5.464 -2.698 1.00 0.00 C ATOM 55 O LEU A 4 -5.998 4.998 -2.152 1.00 0.00 O ATOM 56 CB LEU A 4 -4.041 4.635 -4.856 1.00 0.00 C ATOM 57 CG LEU A 4 -4.470 3.353 -5.571 1.00 0.00 C ATOM 58 CD1 LEU A 4 -5.437 3.675 -6.699 1.00 0.00 C ATOM 59 CD2 LEU A 4 -3.254 2.608 -6.107 1.00 0.00 C ATOM 0 H LEU A 4 -4.980 2.718 -3.255 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.969 4.871 -3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.739 5.429 -5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -3.063 4.931 -5.235 1.00 0.00 H new ATOM 0 HG LEU A 4 -4.978 2.709 -4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.733 2.753 -7.199 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.320 4.167 -6.292 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.952 4.336 -7.417 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.578 1.698 -6.613 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.719 3.244 -6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.593 2.348 -5.280 1.00 0.00 H new ATOM 71 N LYS A 5 -4.771 6.760 -2.783 1.00 0.00 N ATOM 72 CA LYS A 5 -5.676 7.731 -2.194 1.00 0.00 C ATOM 73 C LYS A 5 -6.546 8.356 -3.276 1.00 0.00 C ATOM 74 O LYS A 5 -6.037 8.888 -4.261 1.00 0.00 O ATOM 75 CB LYS A 5 -4.880 8.811 -1.460 1.00 0.00 C ATOM 76 CG LYS A 5 -5.743 9.862 -0.780 1.00 0.00 C ATOM 77 CD LYS A 5 -4.996 11.175 -0.622 1.00 0.00 C ATOM 78 CE LYS A 5 -4.786 11.862 -1.963 1.00 0.00 C ATOM 79 NZ LYS A 5 -3.540 12.674 -1.986 1.00 0.00 N ATOM 0 H LYS A 5 -3.963 7.166 -3.255 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.322 7.225 -1.476 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.247 8.335 -0.711 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.217 9.305 -2.170 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.649 10.025 -1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.056 9.500 0.199 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.554 11.835 0.042 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.030 10.991 -0.151 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.744 11.111 -2.752 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.640 12.503 -2.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -3.782 13.683 -1.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.939 12.410 -1.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.027 12.497 -2.873 1.00 0.00 H new ATOM 93 N ILE A 6 -7.854 8.281 -3.098 1.00 0.00 N ATOM 94 CA ILE A 6 -8.784 8.830 -4.070 1.00 0.00 C ATOM 95 C ILE A 6 -9.258 10.208 -3.614 1.00 0.00 C ATOM 96 O ILE A 6 -9.582 10.410 -2.446 1.00 0.00 O ATOM 97 CB ILE A 6 -9.986 7.879 -4.311 1.00 0.00 C ATOM 98 CG1 ILE A 6 -11.186 8.630 -4.894 1.00 0.00 C ATOM 99 CG2 ILE A 6 -10.374 7.163 -3.026 1.00 0.00 C ATOM 100 CD1 ILE A 6 -11.622 8.112 -6.247 1.00 0.00 C ATOM 0 H ILE A 6 -8.296 7.845 -2.289 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.263 8.933 -5.022 1.00 0.00 H new ATOM 0 HB ILE A 6 -9.674 7.132 -5.041 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.023 8.557 -4.199 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.935 9.687 -4.982 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.219 6.502 -3.219 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -9.528 6.576 -2.667 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -10.653 7.897 -2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.476 8.690 -6.600 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.800 8.210 -6.956 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.904 7.063 -6.161 1.00 0.00 H new ATOM 112 N THR A 7 -9.272 11.154 -4.542 1.00 0.00 N ATOM 113 CA THR A 7 -9.581 12.543 -4.217 1.00 0.00 C ATOM 114 C THR A 7 -10.752 13.038 -5.045 1.00 0.00 C ATOM 115 O THR A 7 -11.582 13.815 -4.572 1.00 0.00 O ATOM 116 CB THR A 7 -8.362 13.438 -4.478 1.00 0.00 C ATOM 117 OG1 THR A 7 -7.404 12.698 -5.243 1.00 0.00 O ATOM 118 CG2 THR A 7 -7.731 13.897 -3.173 1.00 0.00 C ATOM 0 H THR A 7 -9.073 10.987 -5.528 1.00 0.00 H new ATOM 0 HA THR A 7 -9.845 12.590 -3.160 1.00 0.00 H new ATOM 0 HB THR A 7 -8.683 14.324 -5.026 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.621 13.260 -5.418 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.870 14.529 -3.388 1.00 0.00 H new ATOM 0 HG22 THR A 7 -8.461 14.463 -2.595 1.00 0.00 H new ATOM 0 HG23 THR A 7 -7.409 13.028 -2.599 1.00 0.00 H new ATOM 126 N GLY A 8 -10.811 12.574 -6.284 1.00 0.00 N ATOM 127 CA GLY A 8 -11.909 12.915 -7.155 1.00 0.00 C ATOM 128 C GLY A 8 -13.145 12.120 -6.813 1.00 0.00 C ATOM 129 O GLY A 8 -13.546 11.243 -7.574 1.00 0.00 O ATOM 0 H GLY A 8 -10.110 11.962 -6.702 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -12.124 13.980 -7.073 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.627 12.726 -8.191 1.00 0.00 H new ATOM 133 N MET A 9 -13.691 12.405 -5.631 1.00 0.00 N ATOM 134 CA MET A 9 -14.942 11.810 -5.144 1.00 0.00 C ATOM 135 C MET A 9 -14.676 10.470 -4.467 1.00 0.00 C ATOM 136 O MET A 9 -14.891 9.407 -5.047 1.00 0.00 O ATOM 137 CB MET A 9 -15.979 11.648 -6.267 1.00 0.00 C ATOM 138 CG MET A 9 -17.141 12.624 -6.176 1.00 0.00 C ATOM 139 SD MET A 9 -16.658 14.237 -5.533 1.00 0.00 S ATOM 140 CE MET A 9 -18.219 15.113 -5.621 1.00 0.00 C ATOM 0 H MET A 9 -13.274 13.064 -4.974 1.00 0.00 H new ATOM 0 HA MET A 9 -15.360 12.498 -4.409 1.00 0.00 H new ATOM 0 HB2 MET A 9 -15.482 11.778 -7.229 1.00 0.00 H new ATOM 0 HB3 MET A 9 -16.369 10.630 -6.244 1.00 0.00 H new ATOM 0 HG2 MET A 9 -17.580 12.750 -7.165 1.00 0.00 H new ATOM 0 HG3 MET A 9 -17.915 12.201 -5.535 1.00 0.00 H new ATOM 0 HE1 MET A 9 -18.086 16.131 -5.256 1.00 0.00 H new ATOM 0 HE2 MET A 9 -18.563 15.140 -6.655 1.00 0.00 H new ATOM 0 HE3 MET A 9 -18.959 14.601 -5.006 1.00 0.00 H new ATOM 150 N THR A 10 -14.213 10.541 -3.226 1.00 0.00 N ATOM 151 CA THR A 10 -13.911 9.350 -2.441 1.00 0.00 C ATOM 152 C THR A 10 -15.160 8.819 -1.757 1.00 0.00 C ATOM 153 O THR A 10 -15.216 7.661 -1.347 1.00 0.00 O ATOM 154 CB THR A 10 -12.836 9.651 -1.378 1.00 0.00 C ATOM 155 OG1 THR A 10 -12.253 8.431 -0.911 1.00 0.00 O ATOM 156 CG2 THR A 10 -13.406 10.422 -0.192 1.00 0.00 C ATOM 0 H THR A 10 -14.037 11.419 -2.737 1.00 0.00 H new ATOM 0 HA THR A 10 -13.532 8.593 -3.128 1.00 0.00 H new ATOM 0 HB THR A 10 -12.076 10.272 -1.853 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.949 7.867 -0.513 1.00 0.00 H new ATOM 0 HG21 THR A 10 -12.614 10.613 0.532 1.00 0.00 H new ATOM 0 HG22 THR A 10 -13.817 11.370 -0.538 1.00 0.00 H new ATOM 0 HG23 THR A 10 -14.195 9.835 0.279 1.00 0.00 H new ATOM 164 N CYS A 11 -16.139 9.695 -1.623 1.00 0.00 N ATOM 165 CA CYS A 11 -17.409 9.371 -0.980 1.00 0.00 C ATOM 166 C CYS A 11 -18.099 8.166 -1.623 1.00 0.00 C ATOM 167 O CYS A 11 -17.820 7.801 -2.768 1.00 0.00 O ATOM 168 CB CYS A 11 -18.326 10.588 -1.029 1.00 0.00 C ATOM 169 SG CYS A 11 -17.571 12.040 -1.801 1.00 0.00 S ATOM 0 H CYS A 11 -16.080 10.657 -1.957 1.00 0.00 H new ATOM 0 HA CYS A 11 -17.198 9.101 0.055 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -19.232 10.327 -1.576 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -18.629 10.844 -0.014 1.00 0.00 H new ATOM 0 HG CYS A 11 -16.434 12.296 -1.225 1.00 0.00 H new ATOM 174 N ASP A 12 -19.028 7.583 -0.873 1.00 0.00 N ATOM 175 CA ASP A 12 -19.732 6.374 -1.285 1.00 0.00 C ATOM 176 C ASP A 12 -20.510 6.608 -2.588 1.00 0.00 C ATOM 177 O ASP A 12 -20.773 7.757 -2.958 1.00 0.00 O ATOM 178 CB ASP A 12 -20.662 5.918 -0.145 1.00 0.00 C ATOM 179 CG ASP A 12 -21.955 5.287 -0.621 1.00 0.00 C ATOM 180 OD1 ASP A 12 -21.970 4.061 -0.856 1.00 0.00 O ATOM 181 OD2 ASP A 12 -22.958 6.014 -0.762 1.00 0.00 O ATOM 0 H ASP A 12 -19.315 7.936 0.040 1.00 0.00 H new ATOM 0 HA ASP A 12 -19.008 5.584 -1.486 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -20.129 5.202 0.481 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -20.898 6.777 0.483 1.00 0.00 H new ATOM 186 N SER A 13 -20.852 5.509 -3.277 1.00 0.00 N ATOM 187 CA SER A 13 -21.510 5.539 -4.590 1.00 0.00 C ATOM 188 C SER A 13 -20.481 5.830 -5.681 1.00 0.00 C ATOM 189 O SER A 13 -20.365 5.086 -6.658 1.00 0.00 O ATOM 190 CB SER A 13 -22.667 6.551 -4.636 1.00 0.00 C ATOM 191 OG SER A 13 -23.575 6.346 -3.560 1.00 0.00 O ATOM 0 H SER A 13 -20.677 4.565 -2.934 1.00 0.00 H new ATOM 0 HA SER A 13 -21.948 4.557 -4.768 1.00 0.00 H new ATOM 0 HB2 SER A 13 -22.269 7.565 -4.591 1.00 0.00 H new ATOM 0 HB3 SER A 13 -23.196 6.459 -5.584 1.00 0.00 H new ATOM 0 HG SER A 13 -23.130 6.556 -2.712 1.00 0.00 H new ATOM 197 N CYS A 14 -19.722 6.902 -5.504 1.00 0.00 N ATOM 198 CA CYS A 14 -18.585 7.171 -6.368 1.00 0.00 C ATOM 199 C CYS A 14 -17.503 6.133 -6.100 1.00 0.00 C ATOM 200 O CYS A 14 -16.920 5.565 -7.028 1.00 0.00 O ATOM 201 CB CYS A 14 -18.060 8.583 -6.120 1.00 0.00 C ATOM 202 SG CYS A 14 -19.305 9.706 -5.442 1.00 0.00 S ATOM 0 H CYS A 14 -19.873 7.596 -4.772 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.889 7.106 -7.413 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -17.215 8.533 -5.433 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -17.685 8.993 -7.058 1.00 0.00 H new ATOM 0 HG CYS A 14 -18.760 10.461 -4.534 1.00 0.00 H new ATOM 207 N ALA A 15 -17.276 5.857 -4.817 1.00 0.00 N ATOM 208 CA ALA A 15 -16.383 4.783 -4.394 1.00 0.00 C ATOM 209 C ALA A 15 -17.049 3.423 -4.602 1.00 0.00 C ATOM 210 O ALA A 15 -17.150 2.610 -3.683 1.00 0.00 O ATOM 211 CB ALA A 15 -15.984 4.964 -2.939 1.00 0.00 C ATOM 0 H ALA A 15 -17.704 6.369 -4.046 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.481 4.823 -5.005 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.318 4.154 -2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.471 5.918 -2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.876 4.950 -2.313 1.00 0.00 H new ATOM 217 N ALA A 16 -17.485 3.195 -5.830 1.00 0.00 N ATOM 218 CA ALA A 16 -18.166 1.971 -6.218 1.00 0.00 C ATOM 219 C ALA A 16 -18.135 1.843 -7.731 1.00 0.00 C ATOM 220 O ALA A 16 -17.854 0.775 -8.265 1.00 0.00 O ATOM 221 CB ALA A 16 -19.600 1.965 -5.711 1.00 0.00 C ATOM 0 H ALA A 16 -17.375 3.862 -6.594 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.653 1.119 -5.771 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -20.089 1.039 -6.014 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.602 2.037 -4.623 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.138 2.814 -6.132 1.00 0.00 H new ATOM 227 N HIS A 17 -18.404 2.947 -8.421 1.00 0.00 N ATOM 228 CA HIS A 17 -18.235 2.998 -9.870 1.00 0.00 C ATOM 229 C HIS A 17 -16.761 2.817 -10.214 1.00 0.00 C ATOM 230 O HIS A 17 -16.394 2.027 -11.092 1.00 0.00 O ATOM 231 CB HIS A 17 -18.751 4.327 -10.423 1.00 0.00 C ATOM 232 CG HIS A 17 -19.275 4.240 -11.830 1.00 0.00 C ATOM 233 ND1 HIS A 17 -20.025 5.236 -12.420 1.00 0.00 N ATOM 234 CD2 HIS A 17 -19.160 3.262 -12.760 1.00 0.00 C ATOM 235 CE1 HIS A 17 -20.343 4.876 -13.650 1.00 0.00 C ATOM 236 NE2 HIS A 17 -19.832 3.682 -13.880 1.00 0.00 N ATOM 0 H HIS A 17 -18.739 3.815 -8.003 1.00 0.00 H new ATOM 0 HA HIS A 17 -18.813 2.194 -10.326 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -19.544 4.696 -9.773 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -17.945 5.060 -10.391 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -18.636 2.325 -12.642 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -20.923 5.460 -14.349 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -19.922 3.156 -14.749 1.00 0.00 H new ATOM 245 N VAL A 18 -15.924 3.537 -9.480 1.00 0.00 N ATOM 246 CA VAL A 18 -14.482 3.442 -9.642 1.00 0.00 C ATOM 247 C VAL A 18 -14.017 2.046 -9.263 1.00 0.00 C ATOM 248 O VAL A 18 -13.175 1.461 -9.934 1.00 0.00 O ATOM 249 CB VAL A 18 -13.735 4.477 -8.773 1.00 0.00 C ATOM 250 CG1 VAL A 18 -12.262 4.536 -9.147 1.00 0.00 C ATOM 251 CG2 VAL A 18 -14.372 5.852 -8.902 1.00 0.00 C ATOM 0 H VAL A 18 -16.223 4.197 -8.762 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.254 3.649 -10.687 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.812 4.160 -7.733 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.757 5.272 -8.521 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.808 3.557 -8.994 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.164 4.822 -10.194 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.829 6.564 -8.281 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.334 6.175 -9.942 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -15.411 5.804 -8.575 1.00 0.00 H new ATOM 261 N LYS A 19 -14.598 1.515 -8.192 1.00 0.00 N ATOM 262 CA LYS A 19 -14.290 0.166 -7.734 1.00 0.00 C ATOM 263 C LYS A 19 -14.675 -0.856 -8.800 1.00 0.00 C ATOM 264 O LYS A 19 -13.951 -1.821 -9.034 1.00 0.00 O ATOM 265 CB LYS A 19 -15.031 -0.125 -6.422 1.00 0.00 C ATOM 266 CG LYS A 19 -15.133 -1.598 -6.077 1.00 0.00 C ATOM 267 CD LYS A 19 -16.377 -1.895 -5.256 1.00 0.00 C ATOM 268 CE LYS A 19 -16.039 -2.699 -4.013 1.00 0.00 C ATOM 269 NZ LYS A 19 -15.731 -4.115 -4.338 1.00 0.00 N ATOM 0 H LYS A 19 -15.289 2.003 -7.622 1.00 0.00 H new ATOM 0 HA LYS A 19 -13.217 0.091 -7.555 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.522 0.392 -5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -16.036 0.292 -6.486 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.152 -2.187 -6.994 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -14.247 -1.904 -5.520 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.857 -0.960 -4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.094 -2.446 -5.865 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.184 -2.248 -3.510 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.876 -2.660 -3.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.375 -4.597 -3.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.594 -4.591 -4.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.008 -4.150 -5.084 1.00 0.00 H new ATOM 283 N GLU A 20 -15.813 -0.627 -9.449 1.00 0.00 N ATOM 284 CA GLU A 20 -16.279 -1.508 -10.513 1.00 0.00 C ATOM 285 C GLU A 20 -15.282 -1.515 -11.665 1.00 0.00 C ATOM 286 O GLU A 20 -14.835 -2.578 -12.111 1.00 0.00 O ATOM 287 CB GLU A 20 -17.653 -1.063 -11.018 1.00 0.00 C ATOM 288 CG GLU A 20 -18.814 -1.687 -10.258 1.00 0.00 C ATOM 289 CD GLU A 20 -19.803 -2.387 -11.168 1.00 0.00 C ATOM 290 OE1 GLU A 20 -20.148 -1.824 -12.229 1.00 0.00 O ATOM 291 OE2 GLU A 20 -20.239 -3.506 -10.829 1.00 0.00 O ATOM 0 H GLU A 20 -16.429 0.162 -9.256 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.365 -2.517 -10.109 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -17.723 0.022 -10.945 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.742 -1.318 -12.074 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -18.425 -2.402 -9.533 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -19.332 -0.911 -9.694 1.00 0.00 H new ATOM 298 N ALA A 21 -14.919 -0.324 -12.126 1.00 0.00 N ATOM 299 CA ALA A 21 -13.959 -0.196 -13.214 1.00 0.00 C ATOM 300 C ALA A 21 -12.596 -0.755 -12.810 1.00 0.00 C ATOM 301 O ALA A 21 -11.910 -1.380 -13.614 1.00 0.00 O ATOM 302 CB ALA A 21 -13.831 1.257 -13.638 1.00 0.00 C ATOM 0 H ALA A 21 -15.273 0.562 -11.765 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.326 -0.777 -14.060 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.110 1.336 -14.452 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.800 1.624 -13.975 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.491 1.854 -12.792 1.00 0.00 H new ATOM 308 N LEU A 22 -12.216 -0.527 -11.561 1.00 0.00 N ATOM 309 CA LEU A 22 -10.950 -1.024 -11.041 1.00 0.00 C ATOM 310 C LEU A 22 -10.939 -2.549 -10.978 1.00 0.00 C ATOM 311 O LEU A 22 -9.967 -3.187 -11.375 1.00 0.00 O ATOM 312 CB LEU A 22 -10.683 -0.431 -9.657 1.00 0.00 C ATOM 313 CG LEU A 22 -9.882 0.872 -9.665 1.00 0.00 C ATOM 314 CD1 LEU A 22 -9.896 1.520 -8.291 1.00 0.00 C ATOM 315 CD2 LEU A 22 -8.455 0.614 -10.120 1.00 0.00 C ATOM 0 H LEU A 22 -12.769 0.001 -10.886 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.157 -0.713 -11.721 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.638 -0.252 -9.163 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.147 -1.167 -9.058 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.351 1.559 -10.370 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.320 2.445 -8.319 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.924 1.741 -8.003 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.454 0.840 -7.563 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.898 1.551 -10.120 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.978 -0.091 -9.440 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.464 0.197 -11.127 1.00 0.00 H new ATOM 327 N GLU A 23 -12.026 -3.131 -10.488 1.00 0.00 N ATOM 328 CA GLU A 23 -12.122 -4.581 -10.364 1.00 0.00 C ATOM 329 C GLU A 23 -12.354 -5.238 -11.725 1.00 0.00 C ATOM 330 O GLU A 23 -12.170 -6.448 -11.880 1.00 0.00 O ATOM 331 CB GLU A 23 -13.229 -4.967 -9.384 1.00 0.00 C ATOM 332 CG GLU A 23 -12.714 -5.241 -7.977 1.00 0.00 C ATOM 333 CD GLU A 23 -13.819 -5.349 -6.944 1.00 0.00 C ATOM 334 OE1 GLU A 23 -14.858 -5.978 -7.241 1.00 0.00 O ATOM 335 OE2 GLU A 23 -13.663 -4.798 -5.835 1.00 0.00 O ATOM 0 H GLU A 23 -12.852 -2.624 -10.171 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.172 -4.946 -9.973 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -13.967 -4.165 -9.345 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -13.742 -5.854 -9.756 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.139 -6.167 -7.982 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.031 -4.443 -7.686 1.00 0.00 H new ATOM 342 N LYS A 24 -12.764 -4.442 -12.710 1.00 0.00 N ATOM 343 CA LYS A 24 -12.884 -4.932 -14.081 1.00 0.00 C ATOM 344 C LYS A 24 -11.501 -5.041 -14.736 1.00 0.00 C ATOM 345 O LYS A 24 -11.356 -5.610 -15.820 1.00 0.00 O ATOM 346 CB LYS A 24 -13.820 -4.028 -14.903 1.00 0.00 C ATOM 347 CG LYS A 24 -13.110 -3.071 -15.849 1.00 0.00 C ATOM 348 CD LYS A 24 -13.737 -3.086 -17.232 1.00 0.00 C ATOM 349 CE LYS A 24 -13.255 -1.914 -18.070 1.00 0.00 C ATOM 350 NZ LYS A 24 -11.862 -2.106 -18.551 1.00 0.00 N ATOM 0 H LYS A 24 -13.017 -3.462 -12.586 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.324 -5.929 -14.055 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.494 -4.658 -15.484 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.437 -3.448 -14.217 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.149 -2.061 -15.442 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.058 -3.345 -15.923 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.491 -4.021 -17.735 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.823 -3.049 -17.142 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.918 -1.783 -18.925 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.311 -0.999 -17.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.574 -1.283 -19.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.224 -2.205 -17.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.812 -2.964 -19.136 1.00 0.00 H new ATOM 364 N VAL A 25 -10.489 -4.495 -14.072 1.00 0.00 N ATOM 365 CA VAL A 25 -9.117 -4.583 -14.557 1.00 0.00 C ATOM 366 C VAL A 25 -8.502 -5.926 -14.166 1.00 0.00 C ATOM 367 O VAL A 25 -8.522 -6.306 -12.994 1.00 0.00 O ATOM 368 CB VAL A 25 -8.240 -3.435 -14.001 1.00 0.00 C ATOM 369 CG1 VAL A 25 -6.806 -3.549 -14.495 1.00 0.00 C ATOM 370 CG2 VAL A 25 -8.821 -2.081 -14.377 1.00 0.00 C ATOM 0 H VAL A 25 -10.593 -3.986 -13.194 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.149 -4.495 -15.643 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.233 -3.521 -12.914 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.215 -2.729 -14.088 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.383 -4.499 -14.168 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.791 -3.501 -15.584 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.188 -1.289 -13.976 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.867 -1.994 -15.463 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.825 -1.988 -13.963 1.00 0.00 H new ATOM 380 N PRO A 26 -7.969 -6.673 -15.148 1.00 0.00 N ATOM 381 CA PRO A 26 -7.310 -7.955 -14.896 1.00 0.00 C ATOM 382 C PRO A 26 -6.020 -7.780 -14.104 1.00 0.00 C ATOM 383 O PRO A 26 -5.141 -7.001 -14.482 1.00 0.00 O ATOM 384 CB PRO A 26 -7.011 -8.506 -16.298 1.00 0.00 C ATOM 385 CG PRO A 26 -7.835 -7.682 -17.229 1.00 0.00 C ATOM 386 CD PRO A 26 -7.975 -6.339 -16.577 1.00 0.00 C ATOM 0 HA PRO A 26 -7.933 -8.622 -14.300 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -5.950 -8.424 -16.535 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -7.273 -9.562 -16.370 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.354 -7.595 -18.203 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -8.811 -8.139 -17.395 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.153 -5.673 -16.841 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -8.898 -5.839 -16.872 1.00 0.00 H new ATOM 394 N GLY A 27 -5.906 -8.520 -13.015 1.00 0.00 N ATOM 395 CA GLY A 27 -4.778 -8.358 -12.121 1.00 0.00 C ATOM 396 C GLY A 27 -5.191 -7.633 -10.860 1.00 0.00 C ATOM 397 O GLY A 27 -4.379 -6.974 -10.204 1.00 0.00 O ATOM 0 H GLY A 27 -6.577 -9.234 -12.731 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.367 -9.335 -11.866 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.987 -7.801 -12.624 1.00 0.00 H new ATOM 401 N VAL A 28 -6.465 -7.780 -10.518 1.00 0.00 N ATOM 402 CA VAL A 28 -7.065 -7.087 -9.388 1.00 0.00 C ATOM 403 C VAL A 28 -8.046 -8.021 -8.692 1.00 0.00 C ATOM 404 O VAL A 28 -8.991 -8.507 -9.310 1.00 0.00 O ATOM 405 CB VAL A 28 -7.829 -5.822 -9.846 1.00 0.00 C ATOM 406 CG1 VAL A 28 -8.559 -5.174 -8.678 1.00 0.00 C ATOM 407 CG2 VAL A 28 -6.893 -4.821 -10.511 1.00 0.00 C ATOM 0 H VAL A 28 -7.113 -8.387 -11.020 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.266 -6.787 -8.710 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.569 -6.134 -10.583 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.088 -4.287 -9.027 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.274 -5.881 -8.258 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.838 -4.889 -7.912 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.460 -3.943 -10.822 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.119 -4.522 -9.804 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.429 -5.281 -11.384 1.00 0.00 H new ATOM 417 N GLN A 29 -7.813 -8.285 -7.413 1.00 0.00 N ATOM 418 CA GLN A 29 -8.650 -9.215 -6.669 1.00 0.00 C ATOM 419 C GLN A 29 -9.818 -8.487 -6.015 1.00 0.00 C ATOM 420 O GLN A 29 -10.960 -8.941 -6.095 1.00 0.00 O ATOM 421 CB GLN A 29 -7.826 -9.963 -5.614 1.00 0.00 C ATOM 422 CG GLN A 29 -6.508 -10.515 -6.143 1.00 0.00 C ATOM 423 CD GLN A 29 -6.682 -11.381 -7.377 1.00 0.00 C ATOM 424 OE1 GLN A 29 -7.248 -12.471 -7.311 1.00 0.00 O ATOM 425 NE2 GLN A 29 -6.188 -10.904 -8.511 1.00 0.00 N ATOM 0 H GLN A 29 -7.055 -7.870 -6.872 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.051 -9.945 -7.372 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.620 -9.289 -4.782 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.421 -10.786 -5.218 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.841 -9.686 -6.379 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.025 -11.100 -5.360 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.726 -9.995 -8.523 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.270 -11.446 -9.371 1.00 0.00 H new ATOM 434 N SER A 30 -9.540 -7.353 -5.373 1.00 0.00 N ATOM 435 CA SER A 30 -10.601 -6.576 -4.734 1.00 0.00 C ATOM 436 C SER A 30 -10.222 -5.103 -4.612 1.00 0.00 C ATOM 437 O SER A 30 -9.060 -4.766 -4.392 1.00 0.00 O ATOM 438 CB SER A 30 -10.918 -7.146 -3.349 1.00 0.00 C ATOM 439 OG SER A 30 -9.836 -7.914 -2.846 1.00 0.00 O ATOM 0 H SER A 30 -8.605 -6.957 -5.282 1.00 0.00 H new ATOM 0 HA SER A 30 -11.486 -6.647 -5.366 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.139 -6.331 -2.660 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.812 -7.767 -3.405 1.00 0.00 H new ATOM 0 HG SER A 30 -10.067 -8.263 -1.960 1.00 0.00 H new ATOM 445 N ALA A 31 -11.207 -4.228 -4.770 1.00 0.00 N ATOM 446 CA ALA A 31 -10.995 -2.796 -4.611 1.00 0.00 C ATOM 447 C ALA A 31 -11.838 -2.255 -3.459 1.00 0.00 C ATOM 448 O ALA A 31 -12.966 -1.805 -3.657 1.00 0.00 O ATOM 449 CB ALA A 31 -11.328 -2.065 -5.903 1.00 0.00 C ATOM 0 H ALA A 31 -12.164 -4.487 -5.009 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.944 -2.626 -4.377 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.165 -0.996 -5.769 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.687 -2.432 -6.704 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.371 -2.243 -6.163 1.00 0.00 H new ATOM 455 N LEU A 32 -11.291 -2.302 -2.255 1.00 0.00 N ATOM 456 CA LEU A 32 -12.014 -1.853 -1.073 1.00 0.00 C ATOM 457 C LEU A 32 -11.811 -0.357 -0.845 1.00 0.00 C ATOM 458 O LEU A 32 -11.067 0.057 0.046 1.00 0.00 O ATOM 459 CB LEU A 32 -11.558 -2.640 0.157 1.00 0.00 C ATOM 460 CG LEU A 32 -12.305 -3.953 0.402 1.00 0.00 C ATOM 461 CD1 LEU A 32 -11.507 -5.131 -0.135 1.00 0.00 C ATOM 462 CD2 LEU A 32 -12.592 -4.133 1.885 1.00 0.00 C ATOM 0 H LEU A 32 -10.349 -2.646 -2.069 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.077 -2.033 -1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.495 -2.858 0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.671 -2.006 1.037 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.255 -3.913 -0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.055 -6.055 0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.353 -5.008 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.541 -5.176 0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.124 -5.072 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.653 -4.152 2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.206 -3.305 2.240 1.00 0.00 H new ATOM 474 N VAL A 33 -12.463 0.451 -1.666 1.00 0.00 N ATOM 475 CA VAL A 33 -12.383 1.899 -1.533 1.00 0.00 C ATOM 476 C VAL A 33 -13.162 2.366 -0.309 1.00 0.00 C ATOM 477 O VAL A 33 -14.364 2.128 -0.197 1.00 0.00 O ATOM 478 CB VAL A 33 -12.920 2.618 -2.781 1.00 0.00 C ATOM 479 CG1 VAL A 33 -12.323 4.013 -2.894 1.00 0.00 C ATOM 480 CG2 VAL A 33 -12.638 1.813 -4.041 1.00 0.00 C ATOM 0 H VAL A 33 -13.054 0.129 -2.432 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.329 2.152 -1.418 1.00 0.00 H new ATOM 0 HB VAL A 33 -14.001 2.711 -2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.715 4.506 -3.784 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.587 4.594 -2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.238 3.939 -2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -13.029 2.345 -4.908 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.562 1.677 -4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.121 0.839 -3.966 1.00 0.00 H new ATOM 490 N SER A 34 -12.471 3.023 0.607 1.00 0.00 N ATOM 491 CA SER A 34 -13.078 3.468 1.848 1.00 0.00 C ATOM 492 C SER A 34 -13.321 4.978 1.832 1.00 0.00 C ATOM 493 O SER A 34 -12.375 5.777 1.877 1.00 0.00 O ATOM 494 CB SER A 34 -12.176 3.078 3.020 1.00 0.00 C ATOM 495 OG SER A 34 -11.351 1.974 2.672 1.00 0.00 O ATOM 0 H SER A 34 -11.484 3.261 0.513 1.00 0.00 H new ATOM 0 HA SER A 34 -14.047 2.982 1.961 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.555 3.927 3.306 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.786 2.824 3.886 1.00 0.00 H new ATOM 0 HG SER A 34 -10.780 1.740 3.433 1.00 0.00 H new ATOM 501 N TYR A 35 -14.596 5.355 1.773 1.00 0.00 N ATOM 502 CA TYR A 35 -14.996 6.760 1.745 1.00 0.00 C ATOM 503 C TYR A 35 -14.595 7.518 3.030 1.00 0.00 C ATOM 504 O TYR A 35 -14.060 8.622 2.934 1.00 0.00 O ATOM 505 CB TYR A 35 -16.512 6.882 1.448 1.00 0.00 C ATOM 506 CG TYR A 35 -17.352 7.543 2.528 1.00 0.00 C ATOM 507 CD1 TYR A 35 -17.324 8.920 2.723 1.00 0.00 C ATOM 508 CD2 TYR A 35 -18.175 6.783 3.350 1.00 0.00 C ATOM 509 CE1 TYR A 35 -18.094 9.517 3.704 1.00 0.00 C ATOM 510 CE2 TYR A 35 -18.947 7.373 4.331 1.00 0.00 C ATOM 511 CZ TYR A 35 -18.900 8.738 4.506 1.00 0.00 C ATOM 512 OH TYR A 35 -19.668 9.325 5.487 1.00 0.00 O ATOM 0 H TYR A 35 -15.377 4.700 1.743 1.00 0.00 H new ATOM 0 HA TYR A 35 -14.449 7.242 0.935 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -16.637 7.445 0.523 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -16.908 5.883 1.268 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -16.691 9.532 2.098 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -18.212 5.712 3.219 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -18.064 10.588 3.841 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -19.584 6.767 4.958 1.00 0.00 H new ATOM 0 HH TYR A 35 -20.178 8.635 5.960 1.00 0.00 H new ATOM 522 N PRO A 36 -14.805 6.959 4.251 1.00 0.00 N ATOM 523 CA PRO A 36 -14.502 7.682 5.496 1.00 0.00 C ATOM 524 C PRO A 36 -13.007 7.715 5.806 1.00 0.00 C ATOM 525 O PRO A 36 -12.595 8.042 6.921 1.00 0.00 O ATOM 526 CB PRO A 36 -15.253 6.884 6.557 1.00 0.00 C ATOM 527 CG PRO A 36 -15.271 5.492 6.032 1.00 0.00 C ATOM 528 CD PRO A 36 -15.342 5.607 4.534 1.00 0.00 C ATOM 0 HA PRO A 36 -14.798 8.730 5.441 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.751 6.937 7.523 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.263 7.267 6.701 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.377 4.949 6.338 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -16.127 4.941 6.421 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.750 4.833 4.046 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.365 5.501 4.174 1.00 0.00 H new ATOM 536 N LYS A 37 -12.202 7.384 4.809 1.00 0.00 N ATOM 537 CA LYS A 37 -10.755 7.380 4.949 1.00 0.00 C ATOM 538 C LYS A 37 -10.116 8.084 3.757 1.00 0.00 C ATOM 539 O LYS A 37 -9.040 8.672 3.873 1.00 0.00 O ATOM 540 CB LYS A 37 -10.230 5.945 5.053 1.00 0.00 C ATOM 541 CG LYS A 37 -10.720 5.200 6.286 1.00 0.00 C ATOM 542 CD LYS A 37 -9.760 4.096 6.691 1.00 0.00 C ATOM 543 CE LYS A 37 -10.495 2.915 7.308 1.00 0.00 C ATOM 544 NZ LYS A 37 -10.676 3.075 8.776 1.00 0.00 N ATOM 0 H LYS A 37 -12.532 7.111 3.883 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.492 7.913 5.863 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.531 5.393 4.163 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.140 5.966 5.062 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.838 5.901 7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.703 4.773 6.087 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.200 3.761 5.818 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.034 4.487 7.404 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.470 2.806 6.832 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.939 1.999 7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.181 2.249 9.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.746 3.153 9.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.228 3.935 8.966 1.00 0.00 H new ATOM 558 N GLY A 38 -10.795 8.034 2.615 1.00 0.00 N ATOM 559 CA GLY A 38 -10.292 8.679 1.418 1.00 0.00 C ATOM 560 C GLY A 38 -9.269 7.824 0.703 1.00 0.00 C ATOM 561 O GLY A 38 -8.476 8.322 -0.096 1.00 0.00 O ATOM 0 H GLY A 38 -11.688 7.556 2.498 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.122 8.891 0.744 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.843 9.636 1.683 1.00 0.00 H new ATOM 565 N THR A 39 -9.291 6.533 0.981 1.00 0.00 N ATOM 566 CA THR A 39 -8.283 5.632 0.453 1.00 0.00 C ATOM 567 C THR A 39 -8.919 4.409 -0.198 1.00 0.00 C ATOM 568 O THR A 39 -9.981 3.951 0.219 1.00 0.00 O ATOM 569 CB THR A 39 -7.317 5.187 1.566 1.00 0.00 C ATOM 570 OG1 THR A 39 -7.553 5.969 2.748 1.00 0.00 O ATOM 571 CG2 THR A 39 -5.870 5.349 1.127 1.00 0.00 C ATOM 0 H THR A 39 -9.995 6.086 1.568 1.00 0.00 H new ATOM 0 HA THR A 39 -7.724 6.175 -0.309 1.00 0.00 H new ATOM 0 HB THR A 39 -7.496 4.133 1.778 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.939 5.684 3.457 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.208 5.028 1.931 1.00 0.00 H new ATOM 0 HG22 THR A 39 -5.688 4.740 0.242 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.676 6.396 0.893 1.00 0.00 H new ATOM 579 N ALA A 40 -8.275 3.904 -1.236 1.00 0.00 N ATOM 580 CA ALA A 40 -8.752 2.730 -1.939 1.00 0.00 C ATOM 581 C ALA A 40 -7.863 1.533 -1.634 1.00 0.00 C ATOM 582 O ALA A 40 -6.736 1.443 -2.129 1.00 0.00 O ATOM 583 CB ALA A 40 -8.798 2.993 -3.438 1.00 0.00 C ATOM 0 H ALA A 40 -7.411 4.295 -1.612 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.762 2.505 -1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.158 2.102 -3.953 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.471 3.826 -3.641 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.798 3.239 -3.795 1.00 0.00 H new ATOM 589 N GLN A 41 -8.368 0.626 -0.810 1.00 0.00 N ATOM 590 CA GLN A 41 -7.629 -0.575 -0.445 1.00 0.00 C ATOM 591 C GLN A 41 -7.723 -1.600 -1.568 1.00 0.00 C ATOM 592 O GLN A 41 -8.649 -2.408 -1.614 1.00 0.00 O ATOM 593 CB GLN A 41 -8.178 -1.156 0.858 1.00 0.00 C ATOM 594 CG GLN A 41 -7.351 -2.298 1.417 1.00 0.00 C ATOM 595 CD GLN A 41 -7.929 -2.849 2.704 1.00 0.00 C ATOM 596 OE1 GLN A 41 -8.249 -2.098 3.626 1.00 0.00 O ATOM 597 NE2 GLN A 41 -8.068 -4.161 2.779 1.00 0.00 N ATOM 0 H GLN A 41 -9.290 0.699 -0.380 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.581 -0.317 -0.292 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.235 -0.362 1.603 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.196 -1.507 0.688 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.291 -3.096 0.677 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.333 -1.953 1.597 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.791 -4.749 1.993 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.452 -4.586 3.623 1.00 0.00 H new ATOM 606 N LEU A 42 -6.771 -1.555 -2.482 1.00 0.00 N ATOM 607 CA LEU A 42 -6.818 -2.406 -3.654 1.00 0.00 C ATOM 608 C LEU A 42 -5.919 -3.623 -3.503 1.00 0.00 C ATOM 609 O LEU A 42 -4.692 -3.519 -3.467 1.00 0.00 O ATOM 610 CB LEU A 42 -6.427 -1.613 -4.899 1.00 0.00 C ATOM 611 CG LEU A 42 -7.592 -0.919 -5.604 1.00 0.00 C ATOM 612 CD1 LEU A 42 -7.278 0.551 -5.824 1.00 0.00 C ATOM 613 CD2 LEU A 42 -7.904 -1.610 -6.923 1.00 0.00 C ATOM 0 H LEU A 42 -5.959 -0.940 -2.435 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.842 -2.763 -3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.690 -0.861 -4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.942 -2.287 -5.605 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.475 -0.988 -4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.117 1.031 -6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.107 1.034 -4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.384 0.644 -6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.736 -1.103 -7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.027 -1.574 -7.569 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.173 -2.649 -6.735 1.00 0.00 H new ATOM 625 N ALA A 43 -6.542 -4.781 -3.421 1.00 0.00 N ATOM 626 CA ALA A 43 -5.816 -6.031 -3.410 1.00 0.00 C ATOM 627 C ALA A 43 -5.523 -6.430 -4.843 1.00 0.00 C ATOM 628 O ALA A 43 -6.204 -7.278 -5.425 1.00 0.00 O ATOM 629 CB ALA A 43 -6.610 -7.113 -2.693 1.00 0.00 C ATOM 0 H ALA A 43 -7.555 -4.881 -3.361 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.879 -5.907 -2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.043 -8.044 -2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.795 -6.806 -1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.561 -7.265 -3.203 1.00 0.00 H new ATOM 635 N ILE A 44 -4.551 -5.744 -5.427 1.00 0.00 N ATOM 636 CA ILE A 44 -4.131 -6.000 -6.794 1.00 0.00 C ATOM 637 C ILE A 44 -2.967 -6.977 -6.824 1.00 0.00 C ATOM 638 O ILE A 44 -2.216 -7.095 -5.851 1.00 0.00 O ATOM 639 CB ILE A 44 -3.724 -4.696 -7.513 1.00 0.00 C ATOM 640 CG1 ILE A 44 -2.723 -3.898 -6.671 1.00 0.00 C ATOM 641 CG2 ILE A 44 -4.956 -3.857 -7.812 1.00 0.00 C ATOM 642 CD1 ILE A 44 -2.094 -2.741 -7.417 1.00 0.00 C ATOM 0 H ILE A 44 -4.033 -4.996 -4.966 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.982 -6.435 -7.318 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.240 -4.958 -8.454 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.229 -3.516 -5.784 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.936 -4.568 -6.325 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.657 -2.940 -8.319 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.634 -4.421 -8.452 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.462 -3.608 -6.879 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.397 -2.221 -6.760 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.559 -3.118 -8.289 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.873 -2.050 -7.740 1.00 0.00 H new ATOM 654 N VAL A 45 -2.819 -7.662 -7.947 1.00 0.00 N ATOM 655 CA VAL A 45 -1.782 -8.668 -8.111 1.00 0.00 C ATOM 656 C VAL A 45 -0.407 -7.997 -8.234 1.00 0.00 C ATOM 657 O VAL A 45 -0.309 -6.866 -8.724 1.00 0.00 O ATOM 658 CB VAL A 45 -2.091 -9.554 -9.349 1.00 0.00 C ATOM 659 CG1 VAL A 45 -1.226 -9.192 -10.548 1.00 0.00 C ATOM 660 CG2 VAL A 45 -1.945 -11.028 -9.007 1.00 0.00 C ATOM 0 H VAL A 45 -3.412 -7.537 -8.767 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.763 -9.311 -7.231 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.126 -9.360 -9.630 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.479 -9.839 -11.388 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.403 -8.153 -10.824 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.175 -9.325 -10.292 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.166 -11.630 -9.889 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.925 -11.226 -8.679 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.640 -11.287 -8.208 1.00 0.00 H new ATOM 670 N PRO A 46 0.670 -8.664 -7.765 1.00 0.00 N ATOM 671 CA PRO A 46 2.039 -8.122 -7.820 1.00 0.00 C ATOM 672 C PRO A 46 2.615 -8.088 -9.238 1.00 0.00 C ATOM 673 O PRO A 46 3.714 -8.585 -9.494 1.00 0.00 O ATOM 674 CB PRO A 46 2.841 -9.085 -6.940 1.00 0.00 C ATOM 675 CG PRO A 46 2.085 -10.365 -6.989 1.00 0.00 C ATOM 676 CD PRO A 46 0.634 -9.991 -7.125 1.00 0.00 C ATOM 0 HA PRO A 46 2.070 -7.085 -7.486 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.857 -9.211 -7.315 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.922 -8.713 -5.919 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.410 -10.977 -7.831 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.253 -10.951 -6.085 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.090 -10.714 -7.733 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.138 -9.954 -6.155 1.00 0.00 H new ATOM 684 N GLY A 47 1.862 -7.492 -10.146 1.00 0.00 N ATOM 685 CA GLY A 47 2.299 -7.341 -11.515 1.00 0.00 C ATOM 686 C GLY A 47 1.732 -6.078 -12.123 1.00 0.00 C ATOM 687 O GLY A 47 2.350 -5.454 -12.988 1.00 0.00 O ATOM 0 H GLY A 47 0.939 -7.103 -9.954 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.388 -7.311 -11.553 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.983 -8.205 -12.100 1.00 0.00 H new ATOM 691 N THR A 48 0.544 -5.706 -11.666 1.00 0.00 N ATOM 692 CA THR A 48 -0.089 -4.466 -12.073 1.00 0.00 C ATOM 693 C THR A 48 0.526 -3.285 -11.347 1.00 0.00 C ATOM 694 O THR A 48 0.484 -3.202 -10.117 1.00 0.00 O ATOM 695 CB THR A 48 -1.600 -4.516 -11.792 1.00 0.00 C ATOM 696 OG1 THR A 48 -1.988 -5.865 -11.493 1.00 0.00 O ATOM 697 CG2 THR A 48 -2.395 -4.001 -12.982 1.00 0.00 C ATOM 0 H THR A 48 -0.004 -6.256 -11.005 1.00 0.00 H new ATOM 0 HA THR A 48 0.071 -4.342 -13.144 1.00 0.00 H new ATOM 0 HB THR A 48 -1.814 -3.874 -10.938 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.870 -5.865 -11.065 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.460 -4.048 -12.756 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.113 -2.969 -13.189 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.182 -4.617 -13.856 1.00 0.00 H new ATOM 705 N SER A 49 1.111 -2.385 -12.116 1.00 0.00 N ATOM 706 CA SER A 49 1.743 -1.211 -11.562 1.00 0.00 C ATOM 707 C SER A 49 0.696 -0.247 -11.007 1.00 0.00 C ATOM 708 O SER A 49 -0.255 0.103 -11.705 1.00 0.00 O ATOM 709 CB SER A 49 2.583 -0.531 -12.641 1.00 0.00 C ATOM 710 OG SER A 49 2.493 -1.247 -13.867 1.00 0.00 O ATOM 0 H SER A 49 1.159 -2.450 -13.133 1.00 0.00 H new ATOM 0 HA SER A 49 2.392 -1.509 -10.739 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.240 0.494 -12.785 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.623 -0.477 -12.320 1.00 0.00 H new ATOM 0 HG SER A 49 3.035 -0.798 -14.549 1.00 0.00 H new ATOM 716 N PRO A 50 0.845 0.174 -9.738 1.00 0.00 N ATOM 717 CA PRO A 50 -0.081 1.112 -9.084 1.00 0.00 C ATOM 718 C PRO A 50 -0.369 2.353 -9.918 1.00 0.00 C ATOM 719 O PRO A 50 -1.493 2.849 -9.933 1.00 0.00 O ATOM 720 CB PRO A 50 0.661 1.491 -7.805 1.00 0.00 C ATOM 721 CG PRO A 50 1.467 0.284 -7.486 1.00 0.00 C ATOM 722 CD PRO A 50 1.916 -0.258 -8.815 1.00 0.00 C ATOM 0 HA PRO A 50 -1.060 0.662 -8.921 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.294 2.366 -7.955 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.031 1.733 -6.999 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.320 0.536 -6.856 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.875 -0.451 -6.941 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.886 0.145 -9.107 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.015 -1.343 -8.794 1.00 0.00 H new ATOM 730 N ASP A 51 0.649 2.839 -10.615 1.00 0.00 N ATOM 731 CA ASP A 51 0.511 4.006 -11.484 1.00 0.00 C ATOM 732 C ASP A 51 -0.568 3.791 -12.541 1.00 0.00 C ATOM 733 O ASP A 51 -1.184 4.747 -13.011 1.00 0.00 O ATOM 734 CB ASP A 51 1.848 4.320 -12.156 1.00 0.00 C ATOM 735 CG ASP A 51 1.754 5.476 -13.130 1.00 0.00 C ATOM 736 OD1 ASP A 51 1.362 6.583 -12.705 1.00 0.00 O ATOM 737 OD2 ASP A 51 2.060 5.281 -14.326 1.00 0.00 O ATOM 0 H ASP A 51 1.588 2.441 -10.597 1.00 0.00 H new ATOM 0 HA ASP A 51 0.210 4.851 -10.865 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.589 4.554 -11.391 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.202 3.434 -12.683 1.00 0.00 H new ATOM 742 N ALA A 52 -0.825 2.535 -12.886 1.00 0.00 N ATOM 743 CA ALA A 52 -1.828 2.219 -13.895 1.00 0.00 C ATOM 744 C ALA A 52 -3.220 2.385 -13.305 1.00 0.00 C ATOM 745 O ALA A 52 -4.179 2.686 -14.007 1.00 0.00 O ATOM 746 CB ALA A 52 -1.635 0.808 -14.430 1.00 0.00 C ATOM 0 H ALA A 52 -0.356 1.723 -12.485 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.713 2.909 -14.731 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.396 0.597 -15.181 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.646 0.722 -14.881 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.724 0.093 -13.612 1.00 0.00 H new ATOM 752 N LEU A 53 -3.303 2.215 -11.996 1.00 0.00 N ATOM 753 CA LEU A 53 -4.552 2.367 -11.276 1.00 0.00 C ATOM 754 C LEU A 53 -4.850 3.846 -11.111 1.00 0.00 C ATOM 755 O LEU A 53 -5.968 4.297 -11.350 1.00 0.00 O ATOM 756 CB LEU A 53 -4.466 1.690 -9.911 1.00 0.00 C ATOM 757 CG LEU A 53 -4.564 0.163 -9.925 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.228 -0.464 -10.287 1.00 0.00 C ATOM 759 CD2 LEU A 53 -5.034 -0.343 -8.574 1.00 0.00 C ATOM 0 H LEU A 53 -2.508 1.969 -11.406 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.355 1.893 -11.840 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.522 1.972 -9.444 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.263 2.082 -9.280 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.291 -0.126 -10.684 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.325 -1.550 -10.290 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.923 -0.124 -11.277 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.477 -0.169 -9.554 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.100 -1.431 -8.596 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.325 -0.038 -7.804 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.015 0.076 -8.350 1.00 0.00 H new ATOM 771 N THR A 54 -3.826 4.595 -10.719 1.00 0.00 N ATOM 772 CA THR A 54 -3.917 6.042 -10.624 1.00 0.00 C ATOM 773 C THR A 54 -4.358 6.629 -11.960 1.00 0.00 C ATOM 774 O THR A 54 -5.279 7.444 -12.025 1.00 0.00 O ATOM 775 CB THR A 54 -2.557 6.648 -10.226 1.00 0.00 C ATOM 776 OG1 THR A 54 -1.816 5.707 -9.438 1.00 0.00 O ATOM 777 CG2 THR A 54 -2.743 7.935 -9.443 1.00 0.00 C ATOM 0 H THR A 54 -2.915 4.216 -10.460 1.00 0.00 H new ATOM 0 HA THR A 54 -4.652 6.286 -9.857 1.00 0.00 H new ATOM 0 HB THR A 54 -2.005 6.876 -11.138 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.952 6.097 -9.190 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.768 8.342 -9.175 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.282 8.658 -10.055 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.313 7.730 -8.537 1.00 0.00 H new ATOM 785 N ALA A 55 -3.704 6.175 -13.021 1.00 0.00 N ATOM 786 CA ALA A 55 -4.010 6.625 -14.372 1.00 0.00 C ATOM 787 C ALA A 55 -5.405 6.183 -14.796 1.00 0.00 C ATOM 788 O ALA A 55 -6.108 6.912 -15.497 1.00 0.00 O ATOM 789 CB ALA A 55 -2.971 6.105 -15.349 1.00 0.00 C ATOM 0 H ALA A 55 -2.951 5.489 -12.970 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.986 7.715 -14.379 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.213 6.449 -16.355 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.986 6.477 -15.065 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.967 5.015 -15.330 1.00 0.00 H new ATOM 795 N ALA A 56 -5.799 4.986 -14.377 1.00 0.00 N ATOM 796 CA ALA A 56 -7.129 4.472 -14.680 1.00 0.00 C ATOM 797 C ALA A 56 -8.201 5.331 -14.028 1.00 0.00 C ATOM 798 O ALA A 56 -9.200 5.667 -14.655 1.00 0.00 O ATOM 799 CB ALA A 56 -7.270 3.025 -14.230 1.00 0.00 C ATOM 0 H ALA A 56 -5.217 4.354 -13.827 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.262 4.511 -15.761 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.271 2.666 -14.468 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.532 2.410 -14.745 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.108 2.961 -13.154 1.00 0.00 H new ATOM 805 N VAL A 57 -7.977 5.697 -12.774 1.00 0.00 N ATOM 806 CA VAL A 57 -8.911 6.540 -12.046 1.00 0.00 C ATOM 807 C VAL A 57 -8.891 7.956 -12.609 1.00 0.00 C ATOM 808 O VAL A 57 -9.937 8.596 -12.739 1.00 0.00 O ATOM 809 CB VAL A 57 -8.583 6.582 -10.535 1.00 0.00 C ATOM 810 CG1 VAL A 57 -9.563 7.477 -9.791 1.00 0.00 C ATOM 811 CG2 VAL A 57 -8.593 5.180 -9.940 1.00 0.00 C ATOM 0 H VAL A 57 -7.153 5.422 -12.239 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.905 6.109 -12.168 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.582 6.999 -10.422 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.311 7.490 -8.731 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.506 8.490 -10.190 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.575 7.093 -9.919 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.360 5.234 -8.877 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.579 4.735 -10.073 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.847 4.565 -10.444 1.00 0.00 H new ATOM 821 N ALA A 58 -7.702 8.436 -12.963 1.00 0.00 N ATOM 822 CA ALA A 58 -7.567 9.762 -13.554 1.00 0.00 C ATOM 823 C ALA A 58 -8.263 9.820 -14.913 1.00 0.00 C ATOM 824 O ALA A 58 -8.911 10.809 -15.255 1.00 0.00 O ATOM 825 CB ALA A 58 -6.099 10.136 -13.689 1.00 0.00 C ATOM 0 H ALA A 58 -6.824 7.929 -12.851 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.048 10.483 -12.893 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.016 11.129 -14.132 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.632 10.138 -12.704 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.596 9.410 -14.328 1.00 0.00 H new ATOM 831 N GLY A 59 -8.132 8.742 -15.674 1.00 0.00 N ATOM 832 CA GLY A 59 -8.776 8.656 -16.970 1.00 0.00 C ATOM 833 C GLY A 59 -10.239 8.285 -16.861 1.00 0.00 C ATOM 834 O GLY A 59 -10.995 8.415 -17.823 1.00 0.00 O ATOM 0 H GLY A 59 -7.587 7.920 -15.414 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.683 9.613 -17.483 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.260 7.915 -17.581 1.00 0.00 H new ATOM 838 N LEU A 60 -10.638 7.817 -15.685 1.00 0.00 N ATOM 839 CA LEU A 60 -12.039 7.503 -15.418 1.00 0.00 C ATOM 840 C LEU A 60 -12.853 8.779 -15.231 1.00 0.00 C ATOM 841 O LEU A 60 -14.079 8.738 -15.136 1.00 0.00 O ATOM 842 CB LEU A 60 -12.158 6.636 -14.169 1.00 0.00 C ATOM 843 CG LEU A 60 -12.893 5.309 -14.355 1.00 0.00 C ATOM 844 CD1 LEU A 60 -12.188 4.439 -15.386 1.00 0.00 C ATOM 845 CD2 LEU A 60 -12.994 4.584 -13.024 1.00 0.00 C ATOM 0 H LEU A 60 -10.011 7.646 -14.899 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.432 6.957 -16.276 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.155 6.426 -13.797 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.671 7.210 -13.397 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.898 5.516 -14.722 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.730 3.500 -15.501 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.158 4.960 -16.343 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.171 4.233 -15.053 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.519 3.639 -13.163 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.993 4.390 -12.639 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.543 5.202 -12.314 1.00 0.00 H new ATOM 857 N GLY A 61 -12.164 9.912 -15.178 1.00 0.00 N ATOM 858 CA GLY A 61 -12.837 11.182 -14.986 1.00 0.00 C ATOM 859 C GLY A 61 -12.741 11.654 -13.553 1.00 0.00 C ATOM 860 O GLY A 61 -13.139 12.775 -13.223 1.00 0.00 O ATOM 0 H GLY A 61 -11.150 9.974 -15.265 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.398 11.930 -15.646 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.885 11.085 -15.268 1.00 0.00 H new ATOM 864 N TYR A 62 -12.213 10.789 -12.702 1.00 0.00 N ATOM 865 CA TYR A 62 -12.027 11.106 -11.295 1.00 0.00 C ATOM 866 C TYR A 62 -10.577 11.512 -11.053 1.00 0.00 C ATOM 867 O TYR A 62 -9.858 11.849 -11.997 1.00 0.00 O ATOM 868 CB TYR A 62 -12.396 9.902 -10.417 1.00 0.00 C ATOM 869 CG TYR A 62 -13.768 9.326 -10.699 1.00 0.00 C ATOM 870 CD1 TYR A 62 -14.896 9.823 -10.058 1.00 0.00 C ATOM 871 CD2 TYR A 62 -13.934 8.287 -11.604 1.00 0.00 C ATOM 872 CE1 TYR A 62 -16.149 9.295 -10.308 1.00 0.00 C ATOM 873 CE2 TYR A 62 -15.182 7.756 -11.861 1.00 0.00 C ATOM 874 CZ TYR A 62 -16.287 8.264 -11.213 1.00 0.00 C ATOM 875 OH TYR A 62 -17.533 7.734 -11.468 1.00 0.00 O ATOM 0 H TYR A 62 -11.903 9.853 -12.965 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.683 11.935 -11.028 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.650 9.120 -10.559 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -12.348 10.202 -9.370 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.792 10.635 -9.353 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -13.072 7.887 -12.116 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -17.015 9.688 -9.797 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -15.292 6.946 -12.567 1.00 0.00 H new ATOM 0 HH TYR A 62 -17.454 7.016 -12.131 1.00 0.00 H new ATOM 885 N LYS A 63 -10.142 11.474 -9.805 1.00 0.00 N ATOM 886 CA LYS A 63 -8.775 11.838 -9.470 1.00 0.00 C ATOM 887 C LYS A 63 -8.268 11.009 -8.301 1.00 0.00 C ATOM 888 O LYS A 63 -8.959 10.854 -7.294 1.00 0.00 O ATOM 889 CB LYS A 63 -8.680 13.326 -9.125 1.00 0.00 C ATOM 890 CG LYS A 63 -7.353 13.949 -9.515 1.00 0.00 C ATOM 891 CD LYS A 63 -7.387 14.489 -10.933 1.00 0.00 C ATOM 892 CE LYS A 63 -6.179 14.040 -11.737 1.00 0.00 C ATOM 893 NZ LYS A 63 -6.284 14.456 -13.159 1.00 0.00 N ATOM 0 H LYS A 63 -10.714 11.195 -9.008 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.153 11.636 -10.342 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.486 13.861 -9.628 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.832 13.454 -8.053 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.111 14.756 -8.823 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.561 13.205 -9.427 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.298 14.153 -11.428 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.421 15.578 -10.906 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.273 14.461 -11.300 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.086 12.955 -11.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.443 14.133 -13.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.135 14.034 -13.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.348 15.493 -13.214 1.00 0.00 H new ATOM 907 N ALA A 64 -7.065 10.480 -8.440 1.00 0.00 N ATOM 908 CA ALA A 64 -6.447 9.694 -7.387 1.00 0.00 C ATOM 909 C ALA A 64 -4.942 9.910 -7.377 1.00 0.00 C ATOM 910 O ALA A 64 -4.379 10.426 -8.344 1.00 0.00 O ATOM 911 CB ALA A 64 -6.767 8.216 -7.563 1.00 0.00 C ATOM 0 H ALA A 64 -6.493 10.582 -9.279 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.853 10.024 -6.431 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.295 7.644 -6.764 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.847 8.070 -7.525 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.389 7.874 -8.526 1.00 0.00 H new ATOM 917 N THR A 65 -4.307 9.528 -6.284 1.00 0.00 N ATOM 918 CA THR A 65 -2.864 9.614 -6.160 1.00 0.00 C ATOM 919 C THR A 65 -2.332 8.406 -5.399 1.00 0.00 C ATOM 920 O THR A 65 -2.975 7.924 -4.464 1.00 0.00 O ATOM 921 CB THR A 65 -2.440 10.903 -5.431 1.00 0.00 C ATOM 922 OG1 THR A 65 -3.590 11.540 -4.852 1.00 0.00 O ATOM 923 CG2 THR A 65 -1.753 11.865 -6.388 1.00 0.00 C ATOM 0 H THR A 65 -4.775 9.151 -5.460 1.00 0.00 H new ATOM 0 HA THR A 65 -2.444 9.631 -7.166 1.00 0.00 H new ATOM 0 HB THR A 65 -1.737 10.634 -4.643 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.447 12.509 -4.822 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.463 12.768 -5.850 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.865 11.390 -6.806 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.438 12.127 -7.194 1.00 0.00 H new ATOM 931 N LEU A 66 -1.180 7.900 -5.817 1.00 0.00 N ATOM 932 CA LEU A 66 -0.553 6.779 -5.133 1.00 0.00 C ATOM 933 C LEU A 66 -0.139 7.192 -3.726 1.00 0.00 C ATOM 934 O LEU A 66 0.720 8.056 -3.552 1.00 0.00 O ATOM 935 CB LEU A 66 0.667 6.287 -5.913 1.00 0.00 C ATOM 936 CG LEU A 66 0.644 4.816 -6.314 1.00 0.00 C ATOM 937 CD1 LEU A 66 1.934 4.461 -7.033 1.00 0.00 C ATOM 938 CD2 LEU A 66 0.449 3.926 -5.092 1.00 0.00 C ATOM 0 H LEU A 66 -0.662 8.247 -6.624 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.275 5.965 -5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.766 6.890 -6.816 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.558 6.467 -5.311 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.196 4.648 -6.988 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.914 3.409 -7.318 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.034 5.077 -7.926 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.781 4.642 -6.371 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.436 2.881 -5.401 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.268 4.086 -4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.496 4.173 -4.609 1.00 0.00 H new ATOM 950 N ALA A 67 -0.767 6.581 -2.734 1.00 0.00 N ATOM 951 CA ALA A 67 -0.483 6.882 -1.342 1.00 0.00 C ATOM 952 C ALA A 67 -0.595 5.617 -0.508 1.00 0.00 C ATOM 953 O ALA A 67 -1.538 5.447 0.267 1.00 0.00 O ATOM 954 CB ALA A 67 -1.428 7.954 -0.824 1.00 0.00 C ATOM 0 H ALA A 67 -1.483 5.867 -2.870 1.00 0.00 H new ATOM 0 HA ALA A 67 0.535 7.264 -1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -1.200 8.166 0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.306 8.862 -1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.457 7.603 -0.907 1.00 0.00 H new