USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 853 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 Single : A 13 HIS : no HE2:sc= -6! C(o=-6!,f=-5.6!) USER MOD Single : A 16 SER OG : rot 170:sc= -0.291 USER MOD Single : A 31 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.6) USER MOD Single : A 37 MET CE :methyl -169:sc= -3.47! (180deg=-4.16!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00383 USER MOD Single : A 42 GLN : amide:sc= -4.14! C(o=-4.1!,f=-3.9!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HE2:sc= -0.0512 K(o=-0.051,f=-4!) USER MOD Single : A 58 GLN : amide:sc= -2.28 K(o=-2.3,f=-6!) USER MOD Single : A 60 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : B 13 HIS :FLIP no HD1:sc= -3.71! C(o=-4.7!,f=-3.7!) USER MOD Single : B 16 SER OG : rot -76:sc= -0.0279 USER MOD Single : B 31 GLN : amide:sc= -0.115 K(o=-0.11,f=-2.1!) USER MOD Single : B 37 MET CE :methyl -145:sc= -4.37! (180deg=-6.2!) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 GLN :FLIP amide:sc= -0.0142 F(o=-0.78,f=-0.014) USER MOD Single : B 43 SER OG : rot 180:sc= 0 USER MOD Single : B 50 HIS : no HE2:sc= 0.487 K(o=0.49,f=-2.6!) USER MOD Single : B 58 GLN : amide:sc= -2.58! C(o=-2.6!,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 72 N ALA A 7 18.330 -2.760 9.602 1.00 2.47 N ATOM 73 CA ALA A 7 17.911 -2.421 8.254 1.00 2.28 C ATOM 74 C ALA A 7 18.159 -3.587 7.313 1.00 2.05 C ATOM 75 O ALA A 7 17.330 -3.882 6.461 1.00 1.85 O ATOM 76 CB ALA A 7 18.637 -1.176 7.768 1.00 2.50 C ATOM 0 HA ALA A 7 16.842 -2.211 8.266 1.00 2.28 H new ATOM 0 HB1 ALA A 7 18.311 -0.936 6.756 1.00 2.50 H new ATOM 0 HB2 ALA A 7 18.410 -0.340 8.430 1.00 2.50 H new ATOM 0 HB3 ALA A 7 19.712 -1.358 7.769 1.00 2.50 H new ATOM 82 N GLY A 8 19.294 -4.255 7.493 1.00 2.13 N ATOM 83 CA GLY A 8 19.628 -5.410 6.684 1.00 2.02 C ATOM 84 C GLY A 8 18.564 -6.485 6.746 1.00 1.90 C ATOM 85 O GLY A 8 18.236 -7.093 5.734 1.00 1.76 O ATOM 0 H GLY A 8 19.995 -4.012 8.193 1.00 2.13 H new ATOM 0 HA2 GLY A 8 19.765 -5.098 5.649 1.00 2.02 H new ATOM 0 HA3 GLY A 8 20.579 -5.824 7.021 1.00 2.02 H new ATOM 89 N ALA A 9 18.019 -6.710 7.932 1.00 2.01 N ATOM 90 CA ALA A 9 16.970 -7.703 8.117 1.00 1.97 C ATOM 91 C ALA A 9 15.710 -7.320 7.350 1.00 1.73 C ATOM 92 O ALA A 9 15.133 -8.137 6.629 1.00 1.64 O ATOM 93 CB ALA A 9 16.658 -7.862 9.592 1.00 2.19 C ATOM 0 H ALA A 9 18.287 -6.217 8.784 1.00 2.01 H new ATOM 0 HA ALA A 9 17.329 -8.654 7.724 1.00 1.97 H new ATOM 0 HB1 ALA A 9 15.872 -8.607 9.719 1.00 2.19 H new ATOM 0 HB2 ALA A 9 17.554 -8.186 10.121 1.00 2.19 H new ATOM 0 HB3 ALA A 9 16.323 -6.908 9.998 1.00 2.19 H new ATOM 99 N LEU A 10 15.293 -6.067 7.503 1.00 1.68 N ATOM 100 CA LEU A 10 14.112 -5.565 6.817 1.00 1.51 C ATOM 101 C LEU A 10 14.346 -5.524 5.312 1.00 1.33 C ATOM 102 O LEU A 10 13.516 -5.991 4.533 1.00 1.21 O ATOM 103 CB LEU A 10 13.750 -4.173 7.340 1.00 1.62 C ATOM 104 CG LEU A 10 12.620 -3.452 6.593 1.00 1.49 C ATOM 105 CD1 LEU A 10 11.316 -4.222 6.710 1.00 1.55 C ATOM 106 CD2 LEU A 10 12.446 -2.039 7.123 1.00 1.60 C ATOM 0 H LEU A 10 15.758 -5.381 8.098 1.00 1.68 H new ATOM 0 HA LEU A 10 13.280 -6.240 7.016 1.00 1.51 H new ATOM 0 HB2 LEU A 10 13.468 -4.262 8.389 1.00 1.62 H new ATOM 0 HB3 LEU A 10 14.642 -3.548 7.302 1.00 1.62 H new ATOM 0 HG LEU A 10 12.893 -3.398 5.539 1.00 1.49 H new ATOM 0 HD11 LEU A 10 10.530 -3.691 6.172 1.00 1.55 H new ATOM 0 HD12 LEU A 10 11.441 -5.216 6.281 1.00 1.55 H new ATOM 0 HD13 LEU A 10 11.040 -4.312 7.761 1.00 1.55 H new ATOM 0 HD21 LEU A 10 11.640 -1.544 6.581 1.00 1.60 H new ATOM 0 HD22 LEU A 10 12.200 -2.076 8.184 1.00 1.60 H new ATOM 0 HD23 LEU A 10 13.373 -1.482 6.984 1.00 1.60 H new ATOM 118 N LEU A 11 15.494 -4.995 4.925 1.00 1.38 N ATOM 119 CA LEU A 11 15.868 -4.869 3.525 1.00 1.31 C ATOM 120 C LEU A 11 15.919 -6.247 2.864 1.00 1.29 C ATOM 121 O LEU A 11 15.330 -6.460 1.809 1.00 1.22 O ATOM 122 CB LEU A 11 17.228 -4.149 3.437 1.00 1.44 C ATOM 123 CG LEU A 11 17.637 -3.600 2.063 1.00 1.48 C ATOM 124 CD1 LEU A 11 18.122 -4.713 1.154 1.00 1.71 C ATOM 125 CD2 LEU A 11 16.482 -2.845 1.426 1.00 1.43 C ATOM 0 H LEU A 11 16.196 -4.639 5.574 1.00 1.38 H new ATOM 0 HA LEU A 11 15.123 -4.280 2.990 1.00 1.31 H new ATOM 0 HB2 LEU A 11 17.219 -3.320 4.144 1.00 1.44 H new ATOM 0 HB3 LEU A 11 18.001 -4.842 3.769 1.00 1.44 H new ATOM 0 HG LEU A 11 18.464 -2.904 2.207 1.00 1.48 H new ATOM 0 HD11 LEU A 11 18.405 -4.296 0.188 1.00 1.71 H new ATOM 0 HD12 LEU A 11 18.986 -5.201 1.606 1.00 1.71 H new ATOM 0 HD13 LEU A 11 17.324 -5.443 1.015 1.00 1.71 H new ATOM 0 HD21 LEU A 11 16.790 -2.463 0.453 1.00 1.43 H new ATOM 0 HD22 LEU A 11 15.633 -3.517 1.300 1.00 1.43 H new ATOM 0 HD23 LEU A 11 16.193 -2.013 2.068 1.00 1.43 H new ATOM 137 N ALA A 12 16.596 -7.190 3.512 1.00 1.43 N ATOM 138 CA ALA A 12 16.758 -8.532 2.967 1.00 1.53 C ATOM 139 C ALA A 12 15.414 -9.215 2.745 1.00 1.49 C ATOM 140 O ALA A 12 15.161 -9.755 1.669 1.00 1.51 O ATOM 141 CB ALA A 12 17.626 -9.385 3.880 1.00 1.75 C ATOM 0 H ALA A 12 17.042 -7.048 4.418 1.00 1.43 H new ATOM 0 HA ALA A 12 17.251 -8.429 2.000 1.00 1.53 H new ATOM 0 HB1 ALA A 12 17.733 -10.382 3.453 1.00 1.75 H new ATOM 0 HB2 ALA A 12 18.609 -8.926 3.980 1.00 1.75 H new ATOM 0 HB3 ALA A 12 17.158 -9.459 4.862 1.00 1.75 H new ATOM 147 N HIS A 13 14.540 -9.163 3.748 1.00 1.46 N ATOM 148 CA HIS A 13 13.291 -9.903 3.691 1.00 1.48 C ATOM 149 C HIS A 13 12.288 -9.205 2.772 1.00 1.27 C ATOM 150 O HIS A 13 11.408 -9.841 2.205 1.00 1.32 O ATOM 151 CB HIS A 13 12.717 -10.130 5.106 1.00 1.57 C ATOM 152 CG HIS A 13 11.766 -9.086 5.588 1.00 1.44 C ATOM 153 ND1 HIS A 13 10.415 -9.144 5.352 1.00 1.26 N ATOM 154 CD2 HIS A 13 11.970 -7.970 6.317 1.00 1.78 C ATOM 155 CE1 HIS A 13 9.832 -8.102 5.902 1.00 1.21 C ATOM 156 NE2 HIS A 13 10.750 -7.372 6.503 1.00 1.66 N ATOM 0 H HIS A 13 14.676 -8.620 4.601 1.00 1.46 H new ATOM 0 HA HIS A 13 13.493 -10.886 3.265 1.00 1.48 H new ATOM 0 HB2 HIS A 13 12.210 -11.095 5.123 1.00 1.57 H new ATOM 0 HB3 HIS A 13 13.547 -10.194 5.810 1.00 1.57 H new ATOM 0 HD1 HIS A 13 9.938 -9.880 4.831 1.00 1.26 H new ATOM 0 HD2 HIS A 13 12.920 -7.613 6.687 1.00 1.78 H new ATOM 0 HE1 HIS A 13 8.775 -7.881 5.867 1.00 1.21 H new ATOM 165 N ALA A 14 12.417 -7.893 2.632 1.00 1.09 N ATOM 166 CA ALA A 14 11.553 -7.145 1.735 1.00 0.94 C ATOM 167 C ALA A 14 11.999 -7.327 0.286 1.00 1.00 C ATOM 168 O ALA A 14 11.170 -7.388 -0.620 1.00 1.04 O ATOM 169 CB ALA A 14 11.547 -5.674 2.109 1.00 0.84 C ATOM 0 H ALA A 14 13.108 -7.329 3.126 1.00 1.09 H new ATOM 0 HA ALA A 14 10.538 -7.530 1.833 1.00 0.94 H new ATOM 0 HB1 ALA A 14 10.895 -5.128 1.427 1.00 0.84 H new ATOM 0 HB2 ALA A 14 11.182 -5.560 3.130 1.00 0.84 H new ATOM 0 HB3 ALA A 14 12.560 -5.277 2.039 1.00 0.84 H new ATOM 175 N ALA A 15 13.309 -7.421 0.080 1.00 1.08 N ATOM 176 CA ALA A 15 13.870 -7.606 -1.255 1.00 1.19 C ATOM 177 C ALA A 15 13.632 -9.020 -1.766 1.00 1.37 C ATOM 178 O ALA A 15 13.408 -9.226 -2.962 1.00 1.46 O ATOM 179 CB ALA A 15 15.360 -7.294 -1.255 1.00 1.27 C ATOM 0 H ALA A 15 14.005 -7.372 0.824 1.00 1.08 H new ATOM 0 HA ALA A 15 13.362 -6.913 -1.926 1.00 1.19 H new ATOM 0 HB1 ALA A 15 15.762 -7.437 -2.258 1.00 1.27 H new ATOM 0 HB2 ALA A 15 15.515 -6.260 -0.946 1.00 1.27 H new ATOM 0 HB3 ALA A 15 15.871 -7.961 -0.561 1.00 1.27 H new ATOM 185 N SER A 16 13.681 -9.991 -0.864 1.00 1.47 N ATOM 186 CA SER A 16 13.449 -11.381 -1.229 1.00 1.68 C ATOM 187 C SER A 16 12.008 -11.578 -1.688 1.00 1.68 C ATOM 188 O SER A 16 11.743 -12.283 -2.664 1.00 1.89 O ATOM 189 CB SER A 16 13.760 -12.300 -0.046 1.00 1.83 C ATOM 190 OG SER A 16 13.089 -11.867 1.122 1.00 2.28 O ATOM 0 H SER A 16 13.879 -9.841 0.125 1.00 1.47 H new ATOM 0 HA SER A 16 14.113 -11.638 -2.054 1.00 1.68 H new ATOM 0 HB2 SER A 16 13.460 -13.320 -0.285 1.00 1.83 H new ATOM 0 HB3 SER A 16 14.835 -12.317 0.133 1.00 1.83 H new ATOM 0 HG SER A 16 13.170 -12.551 1.819 1.00 2.28 H new ATOM 196 N LEU A 17 11.082 -10.950 -0.977 1.00 1.47 N ATOM 197 CA LEU A 17 9.674 -11.012 -1.340 1.00 1.48 C ATOM 198 C LEU A 17 9.394 -10.072 -2.506 1.00 1.43 C ATOM 199 O LEU A 17 8.480 -10.290 -3.295 1.00 1.55 O ATOM 200 CB LEU A 17 8.812 -10.627 -0.140 1.00 1.34 C ATOM 201 CG LEU A 17 9.093 -11.419 1.140 1.00 1.42 C ATOM 202 CD1 LEU A 17 8.305 -10.850 2.304 1.00 1.31 C ATOM 203 CD2 LEU A 17 8.764 -12.890 0.943 1.00 1.65 C ATOM 0 H LEU A 17 11.280 -10.392 -0.146 1.00 1.47 H new ATOM 0 HA LEU A 17 9.429 -12.030 -1.642 1.00 1.48 H new ATOM 0 HB2 LEU A 17 8.957 -9.567 0.067 1.00 1.34 H new ATOM 0 HB3 LEU A 17 7.764 -10.758 -0.408 1.00 1.34 H new ATOM 0 HG LEU A 17 10.155 -11.332 1.369 1.00 1.42 H new ATOM 0 HD11 LEU A 17 8.518 -11.426 3.204 1.00 1.31 H new ATOM 0 HD12 LEU A 17 8.590 -9.810 2.463 1.00 1.31 H new ATOM 0 HD13 LEU A 17 7.239 -10.904 2.083 1.00 1.31 H new ATOM 0 HD21 LEU A 17 8.971 -13.436 1.864 1.00 1.65 H new ATOM 0 HD22 LEU A 17 7.710 -12.996 0.687 1.00 1.65 H new ATOM 0 HD23 LEU A 17 9.376 -13.295 0.137 1.00 1.65 H new ATOM 215 N GLY A 18 10.212 -9.037 -2.619 1.00 1.28 N ATOM 216 CA GLY A 18 10.089 -8.104 -3.715 1.00 1.27 C ATOM 217 C GLY A 18 8.964 -7.111 -3.533 1.00 1.15 C ATOM 218 O GLY A 18 8.236 -6.815 -4.481 1.00 1.27 O ATOM 0 H GLY A 18 10.965 -8.827 -1.964 1.00 1.28 H new ATOM 0 HA2 GLY A 18 11.028 -7.562 -3.828 1.00 1.27 H new ATOM 0 HA3 GLY A 18 9.928 -8.659 -4.639 1.00 1.27 H new ATOM 222 N VAL A 19 8.807 -6.605 -2.315 1.00 0.99 N ATOM 223 CA VAL A 19 7.874 -5.522 -2.064 1.00 0.89 C ATOM 224 C VAL A 19 8.382 -4.261 -2.761 1.00 0.86 C ATOM 225 O VAL A 19 9.578 -3.977 -2.726 1.00 0.84 O ATOM 226 CB VAL A 19 7.707 -5.255 -0.547 1.00 0.76 C ATOM 227 CG1 VAL A 19 6.706 -4.141 -0.297 1.00 0.74 C ATOM 228 CG2 VAL A 19 7.273 -6.515 0.181 1.00 0.87 C ATOM 0 H VAL A 19 9.314 -6.929 -1.491 1.00 0.99 H new ATOM 0 HA VAL A 19 6.898 -5.805 -2.458 1.00 0.89 H new ATOM 0 HB VAL A 19 8.677 -4.944 -0.159 1.00 0.76 H new ATOM 0 HG11 VAL A 19 6.608 -3.974 0.776 1.00 0.74 H new ATOM 0 HG12 VAL A 19 7.053 -3.226 -0.776 1.00 0.74 H new ATOM 0 HG13 VAL A 19 5.738 -4.422 -0.711 1.00 0.74 H new ATOM 0 HG21 VAL A 19 7.163 -6.301 1.244 1.00 0.87 H new ATOM 0 HG22 VAL A 19 6.319 -6.857 -0.221 1.00 0.87 H new ATOM 0 HG23 VAL A 19 8.025 -7.292 0.043 1.00 0.87 H new ATOM 238 N ARG A 20 7.492 -3.539 -3.435 1.00 0.95 N ATOM 239 CA ARG A 20 7.872 -2.340 -4.178 1.00 1.00 C ATOM 240 C ARG A 20 6.945 -1.176 -3.833 1.00 1.04 C ATOM 241 O ARG A 20 5.724 -1.321 -3.921 1.00 1.14 O ATOM 242 CB ARG A 20 7.780 -2.623 -5.678 1.00 1.23 C ATOM 243 CG ARG A 20 8.407 -3.945 -6.087 1.00 1.42 C ATOM 244 CD ARG A 20 8.023 -4.343 -7.504 1.00 1.62 C ATOM 245 NE ARG A 20 8.375 -5.736 -7.784 1.00 1.83 N ATOM 246 CZ ARG A 20 8.136 -6.356 -8.939 1.00 2.15 C ATOM 247 NH1 ARG A 20 7.546 -5.710 -9.938 1.00 2.44 N ATOM 248 NH2 ARG A 20 8.487 -7.626 -9.093 1.00 2.67 N ATOM 0 H ARG A 20 6.498 -3.764 -3.482 1.00 0.95 H new ATOM 0 HA ARG A 20 8.893 -2.072 -3.907 1.00 1.00 H new ATOM 0 HB2 ARG A 20 6.732 -2.620 -5.976 1.00 1.23 H new ATOM 0 HB3 ARG A 20 8.269 -1.815 -6.222 1.00 1.23 H new ATOM 0 HG2 ARG A 20 9.492 -3.870 -6.013 1.00 1.42 H new ATOM 0 HG3 ARG A 20 8.093 -4.725 -5.394 1.00 1.42 H new ATOM 0 HD2 ARG A 20 6.951 -4.202 -7.645 1.00 1.62 H new ATOM 0 HD3 ARG A 20 8.527 -3.689 -8.216 1.00 1.62 H new ATOM 0 HE ARG A 20 8.834 -6.268 -7.045 1.00 1.83 H new ATOM 0 HH11 ARG A 20 7.273 -4.734 -9.824 1.00 2.44 H new ATOM 0 HH12 ARG A 20 7.366 -6.190 -10.820 1.00 2.44 H new ATOM 0 HH21 ARG A 20 8.939 -8.127 -8.328 1.00 2.67 H new ATOM 0 HH22 ARG A 20 8.305 -8.102 -9.977 1.00 2.67 H new ATOM 262 N LEU A 21 7.503 -0.032 -3.430 1.00 1.06 N ATOM 263 CA LEU A 21 6.681 1.161 -3.224 1.00 1.22 C ATOM 264 C LEU A 21 7.301 2.387 -3.857 1.00 1.41 C ATOM 265 O LEU A 21 8.326 2.877 -3.397 1.00 1.45 O ATOM 266 CB LEU A 21 6.460 1.456 -1.730 1.00 1.18 C ATOM 267 CG LEU A 21 5.624 0.448 -0.937 1.00 1.09 C ATOM 268 CD1 LEU A 21 6.455 -0.755 -0.537 1.00 0.89 C ATOM 269 CD2 LEU A 21 5.039 1.109 0.299 1.00 1.23 C ATOM 0 H LEU A 21 8.498 0.093 -3.244 1.00 1.06 H new ATOM 0 HA LEU A 21 5.724 0.945 -3.700 1.00 1.22 H new ATOM 0 HB2 LEU A 21 7.437 1.535 -1.253 1.00 1.18 H new ATOM 0 HB3 LEU A 21 5.983 2.432 -1.645 1.00 1.18 H new ATOM 0 HG LEU A 21 4.812 0.104 -1.578 1.00 1.09 H new ATOM 0 HD11 LEU A 21 5.836 -1.454 0.025 1.00 0.89 H new ATOM 0 HD12 LEU A 21 6.837 -1.247 -1.431 1.00 0.89 H new ATOM 0 HD13 LEU A 21 7.290 -0.430 0.084 1.00 0.89 H new ATOM 0 HD21 LEU A 21 4.447 0.382 0.855 1.00 1.23 H new ATOM 0 HD22 LEU A 21 5.847 1.478 0.931 1.00 1.23 H new ATOM 0 HD23 LEU A 21 4.403 1.942 -0.000 1.00 1.23 H new ATOM 281 N TRP A 22 6.595 2.948 -4.825 1.00 1.61 N ATOM 282 CA TRP A 22 7.069 4.118 -5.544 1.00 1.82 C ATOM 283 C TRP A 22 5.979 5.171 -5.562 1.00 2.04 C ATOM 284 O TRP A 22 4.787 4.846 -5.553 1.00 2.09 O ATOM 285 CB TRP A 22 7.497 3.760 -6.980 1.00 1.87 C ATOM 286 CG TRP A 22 6.383 3.283 -7.871 1.00 1.96 C ATOM 287 CD1 TRP A 22 5.730 4.012 -8.823 1.00 2.19 C ATOM 288 CD2 TRP A 22 5.810 1.972 -7.907 1.00 1.86 C ATOM 289 NE1 TRP A 22 4.780 3.236 -9.443 1.00 2.26 N ATOM 290 CE2 TRP A 22 4.808 1.980 -8.898 1.00 2.06 C ATOM 291 CE3 TRP A 22 6.042 0.791 -7.198 1.00 1.64 C ATOM 292 CZ2 TRP A 22 4.039 0.857 -9.190 1.00 2.08 C ATOM 293 CZ3 TRP A 22 5.282 -0.322 -7.491 1.00 1.66 C ATOM 294 CH2 TRP A 22 4.290 -0.284 -8.479 1.00 1.88 C ATOM 0 H TRP A 22 5.684 2.608 -5.133 1.00 1.61 H new ATOM 0 HA TRP A 22 7.947 4.510 -5.030 1.00 1.82 H new ATOM 0 HB2 TRP A 22 7.958 4.636 -7.436 1.00 1.87 H new ATOM 0 HB3 TRP A 22 8.263 2.986 -6.933 1.00 1.87 H new ATOM 0 HD1 TRP A 22 5.931 5.048 -9.055 1.00 2.19 H new ATOM 0 HE1 TRP A 22 4.156 3.545 -10.188 1.00 2.26 H new ATOM 0 HE3 TRP A 22 6.804 0.750 -6.433 1.00 1.64 H new ATOM 0 HZ2 TRP A 22 3.272 0.886 -9.950 1.00 2.08 H new ATOM 0 HZ3 TRP A 22 5.455 -1.240 -6.949 1.00 1.66 H new ATOM 0 HH2 TRP A 22 3.712 -1.173 -8.683 1.00 1.88 H new ATOM 305 N VAL A 23 6.372 6.428 -5.578 1.00 2.21 N ATOM 306 CA VAL A 23 5.404 7.497 -5.490 1.00 2.44 C ATOM 307 C VAL A 23 5.088 8.076 -6.868 1.00 2.71 C ATOM 308 O VAL A 23 5.985 8.415 -7.642 1.00 2.81 O ATOM 309 CB VAL A 23 5.870 8.617 -4.525 1.00 2.66 C ATOM 310 CG1 VAL A 23 7.222 9.181 -4.939 1.00 2.85 C ATOM 311 CG2 VAL A 23 4.830 9.724 -4.439 1.00 2.92 C ATOM 0 H VAL A 23 7.343 6.730 -5.650 1.00 2.21 H new ATOM 0 HA VAL A 23 4.490 7.064 -5.083 1.00 2.44 H new ATOM 0 HB VAL A 23 5.983 8.174 -3.536 1.00 2.66 H new ATOM 0 HG11 VAL A 23 7.519 9.964 -4.241 1.00 2.85 H new ATOM 0 HG12 VAL A 23 7.967 8.385 -4.929 1.00 2.85 H new ATOM 0 HG13 VAL A 23 7.150 9.598 -5.943 1.00 2.85 H new ATOM 0 HG21 VAL A 23 5.179 10.499 -3.756 1.00 2.92 H new ATOM 0 HG22 VAL A 23 4.675 10.155 -5.428 1.00 2.92 H new ATOM 0 HG23 VAL A 23 3.890 9.312 -4.071 1.00 2.92 H new ATOM 321 N GLU A 24 3.803 8.163 -7.169 1.00 2.84 N ATOM 322 CA GLU A 24 3.348 8.740 -8.421 1.00 3.15 C ATOM 323 C GLU A 24 2.448 9.925 -8.114 1.00 3.47 C ATOM 324 O GLU A 24 1.385 9.774 -7.506 1.00 3.45 O ATOM 325 CB GLU A 24 2.611 7.690 -9.253 1.00 3.09 C ATOM 326 CG GLU A 24 2.190 8.173 -10.631 1.00 3.44 C ATOM 327 CD GLU A 24 1.538 7.078 -11.445 1.00 3.75 C ATOM 328 OE1 GLU A 24 2.262 6.326 -12.125 1.00 4.20 O ATOM 329 OE2 GLU A 24 0.295 6.959 -11.404 1.00 4.16 O ATOM 0 H GLU A 24 3.053 7.839 -6.558 1.00 2.84 H new ATOM 0 HA GLU A 24 4.202 9.082 -9.005 1.00 3.15 H new ATOM 0 HB2 GLU A 24 3.253 6.816 -9.367 1.00 3.09 H new ATOM 0 HB3 GLU A 24 1.725 7.366 -8.707 1.00 3.09 H new ATOM 0 HG2 GLU A 24 1.496 9.007 -10.526 1.00 3.44 H new ATOM 0 HG3 GLU A 24 3.063 8.550 -11.165 1.00 3.44 H new ATOM 336 N GLY A 25 2.881 11.104 -8.526 1.00 3.78 N ATOM 337 CA GLY A 25 2.238 12.315 -8.070 1.00 4.13 C ATOM 338 C GLY A 25 2.523 12.533 -6.602 1.00 4.12 C ATOM 339 O GLY A 25 3.656 12.833 -6.223 1.00 4.20 O ATOM 0 H GLY A 25 3.663 11.244 -9.166 1.00 3.78 H new ATOM 0 HA2 GLY A 25 2.597 13.166 -8.648 1.00 4.13 H new ATOM 0 HA3 GLY A 25 1.162 12.249 -8.234 1.00 4.13 H new ATOM 343 N GLU A 26 1.509 12.365 -5.776 1.00 4.08 N ATOM 344 CA GLU A 26 1.696 12.395 -4.336 1.00 4.12 C ATOM 345 C GLU A 26 1.344 11.042 -3.729 1.00 3.62 C ATOM 346 O GLU A 26 1.696 10.753 -2.582 1.00 3.64 O ATOM 347 CB GLU A 26 0.844 13.492 -3.690 1.00 4.51 C ATOM 348 CG GLU A 26 -0.647 13.192 -3.680 1.00 5.05 C ATOM 349 CD GLU A 26 -1.290 13.299 -5.047 1.00 4.66 C ATOM 350 OE1 GLU A 26 -1.175 12.347 -5.847 1.00 4.88 O ATOM 351 OE2 GLU A 26 -1.927 14.339 -5.326 1.00 5.15 O ATOM 0 H GLU A 26 0.547 12.206 -6.076 1.00 4.08 H new ATOM 0 HA GLU A 26 2.745 12.615 -4.140 1.00 4.12 H new ATOM 0 HB2 GLU A 26 1.181 13.643 -2.664 1.00 4.51 H new ATOM 0 HB3 GLU A 26 1.012 14.429 -4.221 1.00 4.51 H new ATOM 0 HG2 GLU A 26 -0.805 12.187 -3.290 1.00 5.05 H new ATOM 0 HG3 GLU A 26 -1.144 13.881 -2.997 1.00 5.05 H new ATOM 358 N ARG A 27 0.660 10.204 -4.500 1.00 3.25 N ATOM 359 CA ARG A 27 0.144 8.956 -3.970 1.00 2.79 C ATOM 360 C ARG A 27 1.126 7.814 -4.181 1.00 2.64 C ATOM 361 O ARG A 27 1.822 7.741 -5.195 1.00 2.74 O ATOM 362 CB ARG A 27 -1.212 8.611 -4.590 1.00 2.61 C ATOM 363 CG ARG A 27 -1.996 7.588 -3.780 1.00 2.49 C ATOM 364 CD ARG A 27 -2.156 8.038 -2.332 1.00 3.08 C ATOM 365 NE ARG A 27 -2.733 9.382 -2.215 1.00 3.76 N ATOM 366 CZ ARG A 27 -2.346 10.289 -1.311 1.00 4.65 C ATOM 367 NH1 ARG A 27 -1.365 10.012 -0.459 1.00 5.01 N ATOM 368 NH2 ARG A 27 -2.936 11.473 -1.260 1.00 5.38 N ATOM 0 H ARG A 27 0.453 10.368 -5.485 1.00 3.25 H new ATOM 0 HA ARG A 27 0.008 9.093 -2.897 1.00 2.79 H new ATOM 0 HB2 ARG A 27 -1.804 9.521 -4.685 1.00 2.61 H new ATOM 0 HB3 ARG A 27 -1.057 8.226 -5.598 1.00 2.61 H new ATOM 0 HG2 ARG A 27 -2.978 7.440 -4.229 1.00 2.49 H new ATOM 0 HG3 ARG A 27 -1.484 6.626 -3.810 1.00 2.49 H new ATOM 0 HD2 ARG A 27 -2.792 7.327 -1.804 1.00 3.08 H new ATOM 0 HD3 ARG A 27 -1.183 8.021 -1.841 1.00 3.08 H new ATOM 0 HE ARG A 27 -3.476 9.641 -2.864 1.00 3.76 H new ATOM 0 HH11 ARG A 27 -0.902 9.104 -0.492 1.00 5.01 H new ATOM 0 HH12 ARG A 27 -1.074 10.708 0.228 1.00 5.01 H new ATOM 0 HH21 ARG A 27 -3.688 11.696 -1.911 1.00 5.38 H new ATOM 0 HH22 ARG A 27 -2.638 12.162 -0.569 1.00 5.38 H new ATOM 382 N LEU A 28 1.161 6.922 -3.208 1.00 2.44 N ATOM 383 CA LEU A 28 2.070 5.795 -3.214 1.00 2.27 C ATOM 384 C LEU A 28 1.453 4.633 -3.992 1.00 2.10 C ATOM 385 O LEU A 28 0.299 4.273 -3.764 1.00 2.02 O ATOM 386 CB LEU A 28 2.369 5.413 -1.750 1.00 2.25 C ATOM 387 CG LEU A 28 3.475 4.378 -1.497 1.00 2.00 C ATOM 388 CD1 LEU A 28 3.015 2.970 -1.840 1.00 2.23 C ATOM 389 CD2 LEU A 28 4.731 4.736 -2.275 1.00 2.15 C ATOM 0 H LEU A 28 0.556 6.961 -2.388 1.00 2.44 H new ATOM 0 HA LEU A 28 3.006 6.051 -3.711 1.00 2.27 H new ATOM 0 HB2 LEU A 28 2.632 6.324 -1.212 1.00 2.25 H new ATOM 0 HB3 LEU A 28 1.448 5.035 -1.306 1.00 2.25 H new ATOM 0 HG LEU A 28 3.707 4.398 -0.432 1.00 2.00 H new ATOM 0 HD11 LEU A 28 3.825 2.266 -1.648 1.00 2.23 H new ATOM 0 HD12 LEU A 28 2.153 2.709 -1.225 1.00 2.23 H new ATOM 0 HD13 LEU A 28 2.737 2.925 -2.893 1.00 2.23 H new ATOM 0 HD21 LEU A 28 5.503 3.991 -2.083 1.00 2.15 H new ATOM 0 HD22 LEU A 28 4.505 4.757 -3.341 1.00 2.15 H new ATOM 0 HD23 LEU A 28 5.087 5.717 -1.960 1.00 2.15 H new ATOM 401 N ARG A 29 2.211 4.085 -4.929 1.00 2.11 N ATOM 402 CA ARG A 29 1.798 2.889 -5.653 1.00 2.02 C ATOM 403 C ARG A 29 2.440 1.672 -5.011 1.00 1.76 C ATOM 404 O ARG A 29 3.652 1.652 -4.783 1.00 1.70 O ATOM 405 CB ARG A 29 2.194 2.964 -7.128 1.00 2.24 C ATOM 406 CG ARG A 29 1.173 3.631 -8.038 1.00 2.78 C ATOM 407 CD ARG A 29 0.860 5.050 -7.608 1.00 2.72 C ATOM 408 NE ARG A 29 0.110 5.776 -8.634 1.00 3.29 N ATOM 409 CZ ARG A 29 -1.019 6.438 -8.410 1.00 3.54 C ATOM 410 NH1 ARG A 29 -1.600 6.387 -7.219 1.00 3.42 N ATOM 411 NH2 ARG A 29 -1.572 7.136 -9.392 1.00 4.22 N ATOM 0 H ARG A 29 3.121 4.451 -5.208 1.00 2.11 H new ATOM 0 HA ARG A 29 0.712 2.813 -5.602 1.00 2.02 H new ATOM 0 HB2 ARG A 29 3.137 3.505 -7.208 1.00 2.24 H new ATOM 0 HB3 ARG A 29 2.375 1.952 -7.491 1.00 2.24 H new ATOM 0 HG2 ARG A 29 1.551 3.638 -9.060 1.00 2.78 H new ATOM 0 HG3 ARG A 29 0.255 3.044 -8.042 1.00 2.78 H new ATOM 0 HD2 ARG A 29 0.285 5.031 -6.682 1.00 2.72 H new ATOM 0 HD3 ARG A 29 1.789 5.578 -7.395 1.00 2.72 H new ATOM 0 HE ARG A 29 0.479 5.773 -9.585 1.00 3.29 H new ATOM 0 HH11 ARG A 29 -1.180 5.837 -6.470 1.00 3.42 H new ATOM 0 HH12 ARG A 29 -2.467 6.897 -7.052 1.00 3.42 H new ATOM 0 HH21 ARG A 29 -1.130 7.162 -10.311 1.00 4.22 H new ATOM 0 HH22 ARG A 29 -2.439 7.647 -9.229 1.00 4.22 H new ATOM 425 N PHE A 30 1.637 0.665 -4.724 1.00 1.65 N ATOM 426 CA PHE A 30 2.098 -0.464 -3.940 1.00 1.43 C ATOM 427 C PHE A 30 2.111 -1.739 -4.778 1.00 1.49 C ATOM 428 O PHE A 30 1.136 -2.053 -5.461 1.00 1.69 O ATOM 429 CB PHE A 30 1.178 -0.633 -2.730 1.00 1.35 C ATOM 430 CG PHE A 30 1.877 -1.079 -1.474 1.00 1.14 C ATOM 431 CD1 PHE A 30 2.759 -2.149 -1.480 1.00 1.69 C ATOM 432 CD2 PHE A 30 1.643 -0.421 -0.277 1.00 1.50 C ATOM 433 CE1 PHE A 30 3.391 -2.548 -0.321 1.00 1.62 C ATOM 434 CE2 PHE A 30 2.271 -0.819 0.885 1.00 1.47 C ATOM 435 CZ PHE A 30 3.148 -1.883 0.863 1.00 0.99 C ATOM 0 H PHE A 30 0.663 0.606 -5.022 1.00 1.65 H new ATOM 0 HA PHE A 30 3.118 -0.277 -3.605 1.00 1.43 H new ATOM 0 HB2 PHE A 30 0.677 0.315 -2.535 1.00 1.35 H new ATOM 0 HB3 PHE A 30 0.403 -1.359 -2.977 1.00 1.35 H new ATOM 0 HD1 PHE A 30 2.953 -2.676 -2.403 1.00 1.69 H new ATOM 0 HD2 PHE A 30 0.960 0.415 -0.254 1.00 1.50 H new ATOM 0 HE1 PHE A 30 4.077 -3.382 -0.340 1.00 1.62 H new ATOM 0 HE2 PHE A 30 2.076 -0.298 1.811 1.00 1.47 H new ATOM 0 HZ PHE A 30 3.643 -2.195 1.771 1.00 0.99 H new ATOM 445 N GLN A 31 3.222 -2.461 -4.728 1.00 1.37 N ATOM 446 CA GLN A 31 3.342 -3.735 -5.423 1.00 1.46 C ATOM 447 C GLN A 31 3.871 -4.799 -4.469 1.00 1.31 C ATOM 448 O GLN A 31 4.934 -4.627 -3.866 1.00 1.14 O ATOM 449 CB GLN A 31 4.277 -3.599 -6.628 1.00 1.58 C ATOM 450 CG GLN A 31 4.349 -4.850 -7.494 1.00 1.74 C ATOM 451 CD GLN A 31 3.023 -5.183 -8.150 1.00 2.14 C ATOM 452 OE1 GLN A 31 2.200 -5.894 -7.580 1.00 2.68 O ATOM 453 NE2 GLN A 31 2.815 -4.687 -9.358 1.00 2.52 N ATOM 0 H GLN A 31 4.057 -2.184 -4.211 1.00 1.37 H new ATOM 0 HA GLN A 31 2.356 -4.034 -5.779 1.00 1.46 H new ATOM 0 HB2 GLN A 31 3.944 -2.762 -7.242 1.00 1.58 H new ATOM 0 HB3 GLN A 31 5.279 -3.356 -6.273 1.00 1.58 H new ATOM 0 HG2 GLN A 31 5.107 -4.710 -8.265 1.00 1.74 H new ATOM 0 HG3 GLN A 31 4.669 -5.693 -6.882 1.00 1.74 H new ATOM 0 HE21 GLN A 31 3.524 -4.100 -9.797 1.00 2.52 H new ATOM 0 HE22 GLN A 31 1.945 -4.891 -9.850 1.00 2.52 H new ATOM 462 N ALA A 32 3.127 -5.886 -4.328 1.00 1.43 N ATOM 463 CA ALA A 32 3.505 -6.962 -3.426 1.00 1.36 C ATOM 464 C ALA A 32 2.941 -8.293 -3.905 1.00 1.55 C ATOM 465 O ALA A 32 1.793 -8.365 -4.347 1.00 1.69 O ATOM 466 CB ALA A 32 3.012 -6.661 -2.019 1.00 1.25 C ATOM 0 H ALA A 32 2.254 -6.046 -4.830 1.00 1.43 H new ATOM 0 HA ALA A 32 4.593 -7.035 -3.415 1.00 1.36 H new ATOM 0 HB1 ALA A 32 3.300 -7.473 -1.351 1.00 1.25 H new ATOM 0 HB2 ALA A 32 3.456 -5.729 -1.670 1.00 1.25 H new ATOM 0 HB3 ALA A 32 1.926 -6.565 -2.027 1.00 1.25 H new ATOM 472 N PRO A 33 3.744 -9.361 -3.831 1.00 1.60 N ATOM 473 CA PRO A 33 3.297 -10.703 -4.172 1.00 1.79 C ATOM 474 C PRO A 33 2.270 -11.217 -3.165 1.00 1.78 C ATOM 475 O PRO A 33 2.222 -10.771 -2.015 1.00 1.62 O ATOM 476 CB PRO A 33 4.578 -11.547 -4.141 1.00 1.82 C ATOM 477 CG PRO A 33 5.548 -10.775 -3.314 1.00 1.84 C ATOM 478 CD PRO A 33 5.145 -9.330 -3.397 1.00 1.52 C ATOM 0 HA PRO A 33 2.799 -10.741 -5.141 1.00 1.79 H new ATOM 0 HB2 PRO A 33 4.389 -12.530 -3.708 1.00 1.82 H new ATOM 0 HB3 PRO A 33 4.964 -11.710 -5.147 1.00 1.82 H new ATOM 0 HG2 PRO A 33 5.534 -11.120 -2.280 1.00 1.84 H new ATOM 0 HG3 PRO A 33 6.564 -10.913 -3.682 1.00 1.84 H new ATOM 0 HD2 PRO A 33 5.250 -8.833 -2.433 1.00 1.52 H new ATOM 0 HD3 PRO A 33 5.768 -8.785 -4.106 1.00 1.52 H new ATOM 486 N PRO A 34 1.425 -12.153 -3.585 1.00 1.96 N ATOM 487 CA PRO A 34 0.336 -12.656 -2.750 1.00 1.97 C ATOM 488 C PRO A 34 0.841 -13.333 -1.478 1.00 1.88 C ATOM 489 O PRO A 34 1.639 -14.270 -1.528 1.00 1.95 O ATOM 490 CB PRO A 34 -0.392 -13.657 -3.656 1.00 2.20 C ATOM 491 CG PRO A 34 0.576 -13.992 -4.741 1.00 2.31 C ATOM 492 CD PRO A 34 1.467 -12.794 -4.903 1.00 2.19 C ATOM 0 HA PRO A 34 -0.308 -11.850 -2.398 1.00 1.97 H new ATOM 0 HB2 PRO A 34 -0.683 -14.549 -3.101 1.00 2.20 H new ATOM 0 HB3 PRO A 34 -1.305 -13.224 -4.065 1.00 2.20 H new ATOM 0 HG2 PRO A 34 1.158 -14.876 -4.482 1.00 2.31 H new ATOM 0 HG3 PRO A 34 0.054 -14.216 -5.671 1.00 2.31 H new ATOM 0 HD2 PRO A 34 2.482 -13.083 -5.176 1.00 2.19 H new ATOM 0 HD3 PRO A 34 1.104 -12.127 -5.685 1.00 2.19 H new ATOM 500 N GLY A 35 0.389 -12.825 -0.336 1.00 1.76 N ATOM 501 CA GLY A 35 0.698 -13.448 0.935 1.00 1.72 C ATOM 502 C GLY A 35 1.625 -12.616 1.802 1.00 1.60 C ATOM 503 O GLY A 35 1.553 -12.682 3.027 1.00 1.71 O ATOM 0 H GLY A 35 -0.189 -11.987 -0.270 1.00 1.76 H new ATOM 0 HA2 GLY A 35 -0.230 -13.630 1.478 1.00 1.72 H new ATOM 0 HA3 GLY A 35 1.157 -14.420 0.753 1.00 1.72 H new ATOM 507 N VAL A 36 2.477 -11.811 1.177 1.00 1.46 N ATOM 508 CA VAL A 36 3.520 -11.090 1.911 1.00 1.34 C ATOM 509 C VAL A 36 3.019 -9.789 2.528 1.00 1.22 C ATOM 510 O VAL A 36 3.697 -9.189 3.350 1.00 1.22 O ATOM 511 CB VAL A 36 4.721 -10.768 1.012 1.00 1.31 C ATOM 512 CG1 VAL A 36 5.283 -12.047 0.421 1.00 1.49 C ATOM 513 CG2 VAL A 36 4.340 -9.780 -0.075 1.00 1.25 C ATOM 0 H VAL A 36 2.470 -11.639 0.172 1.00 1.46 H new ATOM 0 HA VAL A 36 3.823 -11.762 2.714 1.00 1.34 H new ATOM 0 HB VAL A 36 5.495 -10.299 1.619 1.00 1.31 H new ATOM 0 HG11 VAL A 36 6.135 -11.810 -0.216 1.00 1.49 H new ATOM 0 HG12 VAL A 36 5.604 -12.709 1.225 1.00 1.49 H new ATOM 0 HG13 VAL A 36 4.514 -12.543 -0.172 1.00 1.49 H new ATOM 0 HG21 VAL A 36 5.210 -9.570 -0.697 1.00 1.25 H new ATOM 0 HG22 VAL A 36 3.547 -10.205 -0.691 1.00 1.25 H new ATOM 0 HG23 VAL A 36 3.988 -8.855 0.381 1.00 1.25 H new ATOM 523 N MET A 37 1.834 -9.362 2.141 1.00 1.18 N ATOM 524 CA MET A 37 1.310 -8.060 2.556 1.00 1.11 C ATOM 525 C MET A 37 0.653 -8.127 3.938 1.00 1.14 C ATOM 526 O MET A 37 -0.156 -7.270 4.291 1.00 1.18 O ATOM 527 CB MET A 37 0.317 -7.539 1.516 1.00 1.19 C ATOM 528 CG MET A 37 0.053 -6.039 1.604 1.00 1.18 C ATOM 529 SD MET A 37 1.243 -5.040 0.674 1.00 1.41 S ATOM 530 CE MET A 37 2.795 -5.392 1.504 1.00 0.92 C ATOM 0 H MET A 37 1.207 -9.894 1.537 1.00 1.18 H new ATOM 0 HA MET A 37 2.150 -7.369 2.627 1.00 1.11 H new ATOM 0 HB2 MET A 37 0.694 -7.773 0.520 1.00 1.19 H new ATOM 0 HB3 MET A 37 -0.627 -8.071 1.633 1.00 1.19 H new ATOM 0 HG2 MET A 37 -0.951 -5.833 1.233 1.00 1.18 H new ATOM 0 HG3 MET A 37 0.075 -5.735 2.651 1.00 1.18 H new ATOM 0 HE1 MET A 37 3.559 -4.697 1.156 1.00 0.92 H new ATOM 0 HE2 MET A 37 2.665 -5.280 2.580 1.00 0.92 H new ATOM 0 HE3 MET A 37 3.104 -6.413 1.280 1.00 0.92 H new ATOM 540 N THR A 38 1.002 -9.148 4.708 1.00 1.18 N ATOM 541 CA THR A 38 0.437 -9.348 6.036 1.00 1.27 C ATOM 542 C THR A 38 0.583 -8.092 6.902 1.00 1.26 C ATOM 543 O THR A 38 1.553 -7.341 6.767 1.00 1.16 O ATOM 544 CB THR A 38 1.115 -10.546 6.730 1.00 1.37 C ATOM 545 OG1 THR A 38 2.532 -10.466 6.550 1.00 1.35 O ATOM 546 CG2 THR A 38 0.602 -11.862 6.166 1.00 1.45 C ATOM 0 H THR A 38 1.681 -9.858 4.432 1.00 1.18 H new ATOM 0 HA THR A 38 -0.626 -9.555 5.916 1.00 1.27 H new ATOM 0 HB THR A 38 0.876 -10.510 7.793 1.00 1.37 H new ATOM 0 HG1 THR A 38 2.962 -11.227 6.993 1.00 1.35 H new ATOM 0 HG21 THR A 38 1.096 -12.692 6.672 1.00 1.45 H new ATOM 0 HG22 THR A 38 -0.475 -11.930 6.323 1.00 1.45 H new ATOM 0 HG23 THR A 38 0.817 -11.909 5.098 1.00 1.45 H new ATOM 554 N PRO A 39 -0.391 -7.847 7.797 1.00 1.41 N ATOM 555 CA PRO A 39 -0.431 -6.636 8.629 1.00 1.46 C ATOM 556 C PRO A 39 0.873 -6.370 9.382 1.00 1.43 C ATOM 557 O PRO A 39 1.259 -5.214 9.579 1.00 1.40 O ATOM 558 CB PRO A 39 -1.566 -6.921 9.614 1.00 1.69 C ATOM 559 CG PRO A 39 -2.460 -7.870 8.891 1.00 1.72 C ATOM 560 CD PRO A 39 -1.551 -8.721 8.047 1.00 1.56 C ATOM 0 HA PRO A 39 -0.578 -5.744 8.020 1.00 1.46 H new ATOM 0 HB2 PRO A 39 -1.189 -7.358 10.539 1.00 1.69 H new ATOM 0 HB3 PRO A 39 -2.094 -6.007 9.886 1.00 1.69 H new ATOM 0 HG2 PRO A 39 -3.031 -8.481 9.591 1.00 1.72 H new ATOM 0 HG3 PRO A 39 -3.181 -7.335 8.273 1.00 1.72 H new ATOM 0 HD2 PRO A 39 -1.260 -9.634 8.566 1.00 1.56 H new ATOM 0 HD3 PRO A 39 -2.033 -9.023 7.117 1.00 1.56 H new ATOM 568 N GLU A 40 1.560 -7.431 9.791 1.00 1.49 N ATOM 569 CA GLU A 40 2.810 -7.267 10.513 1.00 1.53 C ATOM 570 C GLU A 40 3.899 -6.753 9.583 1.00 1.32 C ATOM 571 O GLU A 40 4.736 -5.954 9.992 1.00 1.29 O ATOM 572 CB GLU A 40 3.263 -8.566 11.174 1.00 1.71 C ATOM 573 CG GLU A 40 4.465 -8.365 12.085 1.00 1.94 C ATOM 574 CD GLU A 40 4.993 -9.653 12.678 1.00 2.17 C ATOM 575 OE1 GLU A 40 4.293 -10.257 13.519 1.00 2.76 O ATOM 576 OE2 GLU A 40 6.125 -10.047 12.329 1.00 2.48 O ATOM 0 H GLU A 40 1.276 -8.398 9.637 1.00 1.49 H new ATOM 0 HA GLU A 40 2.632 -6.536 11.301 1.00 1.53 H new ATOM 0 HB2 GLU A 40 2.438 -8.983 11.752 1.00 1.71 H new ATOM 0 HB3 GLU A 40 3.513 -9.295 10.403 1.00 1.71 H new ATOM 0 HG2 GLU A 40 5.262 -7.880 11.521 1.00 1.94 H new ATOM 0 HG3 GLU A 40 4.189 -7.688 12.893 1.00 1.94 H new ATOM 583 N LEU A 41 3.869 -7.188 8.326 1.00 1.20 N ATOM 584 CA LEU A 41 4.860 -6.751 7.353 1.00 1.02 C ATOM 585 C LEU A 41 4.726 -5.260 7.117 1.00 0.89 C ATOM 586 O LEU A 41 5.718 -4.546 7.000 1.00 0.81 O ATOM 587 CB LEU A 41 4.686 -7.469 6.025 1.00 0.97 C ATOM 588 CG LEU A 41 5.827 -7.242 5.030 1.00 0.87 C ATOM 589 CD1 LEU A 41 6.438 -8.564 4.591 1.00 1.11 C ATOM 590 CD2 LEU A 41 5.333 -6.451 3.830 1.00 0.83 C ATOM 0 H LEU A 41 3.173 -7.838 7.961 1.00 1.20 H new ATOM 0 HA LEU A 41 5.845 -6.986 7.756 1.00 1.02 H new ATOM 0 HB2 LEU A 41 4.592 -8.538 6.213 1.00 0.97 H new ATOM 0 HB3 LEU A 41 3.752 -7.142 5.569 1.00 0.97 H new ATOM 0 HG LEU A 41 6.605 -6.664 5.528 1.00 0.87 H new ATOM 0 HD11 LEU A 41 7.246 -8.375 3.884 1.00 1.11 H new ATOM 0 HD12 LEU A 41 6.832 -9.089 5.461 1.00 1.11 H new ATOM 0 HD13 LEU A 41 5.674 -9.177 4.113 1.00 1.11 H new ATOM 0 HD21 LEU A 41 6.156 -6.298 3.132 1.00 0.83 H new ATOM 0 HD22 LEU A 41 4.534 -7.003 3.334 1.00 0.83 H new ATOM 0 HD23 LEU A 41 4.954 -5.484 4.162 1.00 0.83 H new ATOM 602 N GLN A 42 3.487 -4.799 7.034 1.00 0.95 N ATOM 603 CA GLN A 42 3.220 -3.381 6.907 1.00 0.95 C ATOM 604 C GLN A 42 3.788 -2.633 8.114 1.00 0.97 C ATOM 605 O GLN A 42 4.323 -1.531 7.978 1.00 0.97 O ATOM 606 CB GLN A 42 1.717 -3.118 6.773 1.00 1.13 C ATOM 607 CG GLN A 42 1.383 -1.639 6.793 1.00 1.33 C ATOM 608 CD GLN A 42 1.651 -0.921 5.474 1.00 1.41 C ATOM 609 OE1 GLN A 42 1.069 0.126 5.197 1.00 2.06 O ATOM 610 NE2 GLN A 42 2.498 -1.493 4.635 1.00 1.57 N ATOM 0 H GLN A 42 2.654 -5.388 7.053 1.00 0.95 H new ATOM 0 HA GLN A 42 3.707 -3.017 6.003 1.00 0.95 H new ATOM 0 HB2 GLN A 42 1.356 -3.556 5.843 1.00 1.13 H new ATOM 0 HB3 GLN A 42 1.190 -3.617 7.586 1.00 1.13 H new ATOM 0 HG2 GLN A 42 0.331 -1.519 7.052 1.00 1.33 H new ATOM 0 HG3 GLN A 42 1.963 -1.157 7.581 1.00 1.33 H new ATOM 0 HE21 GLN A 42 2.965 -2.362 4.895 1.00 1.57 H new ATOM 0 HE22 GLN A 42 2.684 -1.065 3.728 1.00 1.57 H new ATOM 619 N SER A 43 3.691 -3.253 9.285 1.00 1.06 N ATOM 620 CA SER A 43 4.261 -2.698 10.506 1.00 1.12 C ATOM 621 C SER A 43 5.790 -2.701 10.429 1.00 1.02 C ATOM 622 O SER A 43 6.453 -1.865 11.045 1.00 1.08 O ATOM 623 CB SER A 43 3.777 -3.495 11.725 1.00 1.29 C ATOM 624 OG SER A 43 4.244 -2.930 12.939 1.00 1.57 O ATOM 0 H SER A 43 3.219 -4.148 9.414 1.00 1.06 H new ATOM 0 HA SER A 43 3.927 -1.666 10.613 1.00 1.12 H new ATOM 0 HB2 SER A 43 2.687 -3.524 11.732 1.00 1.29 H new ATOM 0 HB3 SER A 43 4.122 -4.526 11.647 1.00 1.29 H new ATOM 0 HG SER A 43 3.916 -3.461 13.694 1.00 1.57 H new ATOM 630 N ARG A 44 6.341 -3.653 9.680 1.00 0.97 N ATOM 631 CA ARG A 44 7.780 -3.720 9.457 1.00 0.98 C ATOM 632 C ARG A 44 8.216 -2.614 8.504 1.00 0.90 C ATOM 633 O ARG A 44 9.233 -1.958 8.724 1.00 1.04 O ATOM 634 CB ARG A 44 8.184 -5.079 8.877 1.00 1.09 C ATOM 635 CG ARG A 44 7.746 -6.265 9.717 1.00 1.26 C ATOM 636 CD ARG A 44 8.334 -6.213 11.115 1.00 1.51 C ATOM 637 NE ARG A 44 7.949 -7.378 11.910 1.00 1.90 N ATOM 638 CZ ARG A 44 8.400 -7.625 13.138 1.00 2.59 C ATOM 639 NH1 ARG A 44 9.221 -6.767 13.731 1.00 3.00 N ATOM 640 NH2 ARG A 44 8.013 -8.721 13.773 1.00 3.34 N ATOM 0 H ARG A 44 5.810 -4.390 9.217 1.00 0.97 H new ATOM 0 HA ARG A 44 8.275 -3.590 10.420 1.00 0.98 H new ATOM 0 HB2 ARG A 44 7.758 -5.177 7.879 1.00 1.09 H new ATOM 0 HB3 ARG A 44 9.268 -5.107 8.765 1.00 1.09 H new ATOM 0 HG2 ARG A 44 6.658 -6.283 9.781 1.00 1.26 H new ATOM 0 HG3 ARG A 44 8.052 -7.190 9.228 1.00 1.26 H new ATOM 0 HD2 ARG A 44 9.421 -6.160 11.050 1.00 1.51 H new ATOM 0 HD3 ARG A 44 8.000 -5.305 11.616 1.00 1.51 H new ATOM 0 HE ARG A 44 7.294 -8.043 11.498 1.00 1.90 H new ATOM 0 HH11 ARG A 44 9.507 -5.917 13.246 1.00 3.00 H new ATOM 0 HH12 ARG A 44 9.565 -6.958 14.672 1.00 3.00 H new ATOM 0 HH21 ARG A 44 7.371 -9.373 13.321 1.00 3.34 H new ATOM 0 HH22 ARG A 44 8.357 -8.913 14.714 1.00 3.34 H new ATOM 654 N LEU A 45 7.441 -2.428 7.434 1.00 0.78 N ATOM 655 CA LEU A 45 7.700 -1.363 6.469 1.00 0.80 C ATOM 656 C LEU A 45 7.577 -0.011 7.161 1.00 1.06 C ATOM 657 O LEU A 45 8.368 0.904 6.926 1.00 1.25 O ATOM 658 CB LEU A 45 6.703 -1.441 5.300 1.00 0.77 C ATOM 659 CG LEU A 45 6.654 -2.781 4.545 1.00 0.64 C ATOM 660 CD1 LEU A 45 5.488 -2.805 3.573 1.00 0.78 C ATOM 661 CD2 LEU A 45 7.943 -3.034 3.782 1.00 0.54 C ATOM 0 H LEU A 45 6.628 -3.003 7.215 1.00 0.78 H new ATOM 0 HA LEU A 45 8.709 -1.482 6.074 1.00 0.80 H new ATOM 0 HB2 LEU A 45 5.706 -1.226 5.684 1.00 0.77 H new ATOM 0 HB3 LEU A 45 6.947 -0.653 4.587 1.00 0.77 H new ATOM 0 HG LEU A 45 6.526 -3.567 5.289 1.00 0.64 H new ATOM 0 HD11 LEU A 45 5.471 -3.761 3.049 1.00 0.78 H new ATOM 0 HD12 LEU A 45 4.555 -2.675 4.121 1.00 0.78 H new ATOM 0 HD13 LEU A 45 5.600 -1.997 2.850 1.00 0.78 H new ATOM 0 HD21 LEU A 45 7.875 -3.988 3.260 1.00 0.54 H new ATOM 0 HD22 LEU A 45 8.100 -2.235 3.058 1.00 0.54 H new ATOM 0 HD23 LEU A 45 8.780 -3.061 4.480 1.00 0.54 H new ATOM 673 N GLY A 46 6.548 0.118 7.989 1.00 1.20 N ATOM 674 CA GLY A 46 6.390 1.294 8.819 1.00 1.56 C ATOM 675 C GLY A 46 5.711 2.436 8.094 1.00 1.89 C ATOM 676 O GLY A 46 5.116 3.311 8.721 1.00 2.30 O ATOM 0 H GLY A 46 5.813 -0.580 8.100 1.00 1.20 H new ATOM 0 HA2 GLY A 46 5.808 1.034 9.703 1.00 1.56 H new ATOM 0 HA3 GLY A 46 7.370 1.622 9.167 1.00 1.56 H new ATOM 680 N GLY A 47 5.785 2.420 6.768 1.00 1.84 N ATOM 681 CA GLY A 47 5.242 3.507 5.979 1.00 2.25 C ATOM 682 C GLY A 47 6.087 4.760 6.092 1.00 2.18 C ATOM 683 O GLY A 47 5.642 5.858 5.745 1.00 2.57 O ATOM 0 H GLY A 47 6.213 1.670 6.225 1.00 1.84 H new ATOM 0 HA2 GLY A 47 5.181 3.203 4.934 1.00 2.25 H new ATOM 0 HA3 GLY A 47 4.226 3.723 6.308 1.00 2.25 H new ATOM 687 N ALA A 48 7.312 4.598 6.578 1.00 1.86 N ATOM 688 CA ALA A 48 8.211 5.723 6.753 1.00 2.02 C ATOM 689 C ALA A 48 8.793 6.149 5.413 1.00 2.08 C ATOM 690 O ALA A 48 9.009 5.324 4.526 1.00 1.94 O ATOM 691 CB ALA A 48 9.317 5.366 7.736 1.00 1.99 C ATOM 0 H ALA A 48 7.702 3.697 6.857 1.00 1.86 H new ATOM 0 HA ALA A 48 7.648 6.562 7.162 1.00 2.02 H new ATOM 0 HB1 ALA A 48 9.985 6.219 7.858 1.00 1.99 H new ATOM 0 HB2 ALA A 48 8.878 5.108 8.700 1.00 1.99 H new ATOM 0 HB3 ALA A 48 9.882 4.515 7.355 1.00 1.99 H new ATOM 697 N ARG A 49 9.071 7.435 5.285 1.00 2.37 N ATOM 698 CA ARG A 49 9.501 8.009 4.014 1.00 2.47 C ATOM 699 C ARG A 49 10.893 7.539 3.620 1.00 2.33 C ATOM 700 O ARG A 49 11.092 7.052 2.510 1.00 2.17 O ATOM 701 CB ARG A 49 9.448 9.530 4.093 1.00 2.87 C ATOM 702 CG ARG A 49 10.124 10.102 5.327 1.00 3.30 C ATOM 703 CD ARG A 49 9.368 11.311 5.829 1.00 3.76 C ATOM 704 NE ARG A 49 8.000 10.955 6.223 1.00 4.15 N ATOM 705 CZ ARG A 49 6.912 11.601 5.807 1.00 4.69 C ATOM 706 NH1 ARG A 49 7.037 12.704 5.084 1.00 4.89 N ATOM 707 NH2 ARG A 49 5.699 11.151 6.126 1.00 5.36 N ATOM 0 H ARG A 49 9.007 8.108 6.049 1.00 2.37 H new ATOM 0 HA ARG A 49 8.817 7.664 3.239 1.00 2.47 H new ATOM 0 HB2 ARG A 49 9.921 9.948 3.204 1.00 2.87 H new ATOM 0 HB3 ARG A 49 8.406 9.849 4.080 1.00 2.87 H new ATOM 0 HG2 ARG A 49 10.170 9.344 6.109 1.00 3.30 H new ATOM 0 HG3 ARG A 49 11.151 10.380 5.091 1.00 3.30 H new ATOM 0 HD2 ARG A 49 9.893 11.744 6.680 1.00 3.76 H new ATOM 0 HD3 ARG A 49 9.338 12.074 5.051 1.00 3.76 H new ATOM 0 HE ARG A 49 7.875 10.164 6.855 1.00 4.15 H new ATOM 0 HH11 ARG A 49 7.965 13.056 4.847 1.00 4.89 H new ATOM 0 HH12 ARG A 49 6.206 13.201 4.764 1.00 4.89 H new ATOM 0 HH21 ARG A 49 5.600 10.308 6.691 1.00 5.36 H new ATOM 0 HH22 ARG A 49 4.869 11.650 5.805 1.00 5.36 H new ATOM 721 N HIS A 50 11.848 7.662 4.537 1.00 2.45 N ATOM 722 CA HIS A 50 13.219 7.258 4.255 1.00 2.44 C ATOM 723 C HIS A 50 13.277 5.762 3.952 1.00 2.06 C ATOM 724 O HIS A 50 14.060 5.308 3.114 1.00 1.95 O ATOM 725 CB HIS A 50 14.158 7.599 5.427 1.00 2.74 C ATOM 726 CG HIS A 50 13.667 7.124 6.764 1.00 2.77 C ATOM 727 ND1 HIS A 50 13.658 5.801 7.143 1.00 2.59 N ATOM 728 CD2 HIS A 50 13.119 7.808 7.797 1.00 2.99 C ATOM 729 CE1 HIS A 50 13.114 5.691 8.336 1.00 2.68 C ATOM 730 NE2 HIS A 50 12.785 6.894 8.764 1.00 2.91 N ATOM 0 H HIS A 50 11.699 8.035 5.474 1.00 2.45 H new ATOM 0 HA HIS A 50 13.558 7.814 3.381 1.00 2.44 H new ATOM 0 HB2 HIS A 50 15.137 7.159 5.234 1.00 2.74 H new ATOM 0 HB3 HIS A 50 14.296 8.680 5.466 1.00 2.74 H new ATOM 0 HD1 HIS A 50 14.017 5.026 6.586 1.00 2.59 H new ATOM 0 HD2 HIS A 50 12.972 8.877 7.850 1.00 2.99 H new ATOM 0 HE1 HIS A 50 12.962 4.768 8.876 1.00 2.68 H new ATOM 739 N GLU A 51 12.406 5.015 4.619 1.00 1.91 N ATOM 740 CA GLU A 51 12.375 3.572 4.488 1.00 1.65 C ATOM 741 C GLU A 51 11.916 3.178 3.109 1.00 1.36 C ATOM 742 O GLU A 51 12.521 2.336 2.453 1.00 1.19 O ATOM 743 CB GLU A 51 11.436 2.967 5.526 1.00 1.68 C ATOM 744 CG GLU A 51 12.111 1.926 6.380 1.00 1.72 C ATOM 745 CD GLU A 51 13.152 2.541 7.298 1.00 2.19 C ATOM 746 OE1 GLU A 51 14.152 3.091 6.787 1.00 2.75 O ATOM 747 OE2 GLU A 51 12.942 2.535 8.529 1.00 2.54 O ATOM 0 H GLU A 51 11.708 5.393 5.260 1.00 1.91 H new ATOM 0 HA GLU A 51 13.384 3.193 4.650 1.00 1.65 H new ATOM 0 HB2 GLU A 51 11.047 3.760 6.165 1.00 1.68 H new ATOM 0 HB3 GLU A 51 10.581 2.518 5.020 1.00 1.68 H new ATOM 0 HG2 GLU A 51 11.363 1.404 6.977 1.00 1.72 H new ATOM 0 HG3 GLU A 51 12.585 1.182 5.740 1.00 1.72 H new ATOM 754 N LEU A 52 10.850 3.814 2.665 1.00 1.41 N ATOM 755 CA LEU A 52 10.269 3.476 1.380 1.00 1.31 C ATOM 756 C LEU A 52 11.217 3.827 0.237 1.00 1.37 C ATOM 757 O LEU A 52 11.217 3.168 -0.803 1.00 1.27 O ATOM 758 CB LEU A 52 8.915 4.165 1.188 1.00 1.57 C ATOM 759 CG LEU A 52 7.847 3.795 2.221 1.00 1.56 C ATOM 760 CD1 LEU A 52 6.525 4.464 1.887 1.00 1.90 C ATOM 761 CD2 LEU A 52 7.677 2.286 2.300 1.00 1.33 C ATOM 0 H LEU A 52 10.372 4.561 3.169 1.00 1.41 H new ATOM 0 HA LEU A 52 10.106 2.398 1.366 1.00 1.31 H new ATOM 0 HB2 LEU A 52 9.067 5.244 1.215 1.00 1.57 H new ATOM 0 HB3 LEU A 52 8.538 3.921 0.195 1.00 1.57 H new ATOM 0 HG LEU A 52 8.176 4.154 3.196 1.00 1.56 H new ATOM 0 HD11 LEU A 52 5.779 4.189 2.633 1.00 1.90 H new ATOM 0 HD12 LEU A 52 6.655 5.546 1.886 1.00 1.90 H new ATOM 0 HD13 LEU A 52 6.191 4.138 0.902 1.00 1.90 H new ATOM 0 HD21 LEU A 52 6.914 2.044 3.040 1.00 1.33 H new ATOM 0 HD22 LEU A 52 7.373 1.903 1.326 1.00 1.33 H new ATOM 0 HD23 LEU A 52 8.622 1.828 2.591 1.00 1.33 H new ATOM 773 N ILE A 53 12.029 4.858 0.439 1.00 1.59 N ATOM 774 CA ILE A 53 13.060 5.221 -0.527 1.00 1.69 C ATOM 775 C ILE A 53 14.045 4.069 -0.697 1.00 1.43 C ATOM 776 O ILE A 53 14.441 3.715 -1.807 1.00 1.32 O ATOM 777 CB ILE A 53 13.830 6.485 -0.080 1.00 2.06 C ATOM 778 CG1 ILE A 53 12.883 7.682 0.032 1.00 2.36 C ATOM 779 CG2 ILE A 53 14.962 6.785 -1.054 1.00 2.17 C ATOM 780 CD1 ILE A 53 13.534 8.922 0.607 1.00 2.74 C ATOM 0 H ILE A 53 11.994 5.458 1.263 1.00 1.59 H new ATOM 0 HA ILE A 53 12.566 5.432 -1.476 1.00 1.69 H new ATOM 0 HB ILE A 53 14.260 6.299 0.904 1.00 2.06 H new ATOM 0 HG12 ILE A 53 12.488 7.915 -0.957 1.00 2.36 H new ATOM 0 HG13 ILE A 53 12.034 7.405 0.657 1.00 2.36 H new ATOM 0 HG21 ILE A 53 15.496 7.677 -0.728 1.00 2.17 H new ATOM 0 HG22 ILE A 53 15.650 5.940 -1.083 1.00 2.17 H new ATOM 0 HG23 ILE A 53 14.551 6.952 -2.049 1.00 2.17 H new ATOM 0 HD11 ILE A 53 12.802 9.728 0.656 1.00 2.74 H new ATOM 0 HD12 ILE A 53 13.904 8.707 1.609 1.00 2.74 H new ATOM 0 HD13 ILE A 53 14.365 9.225 -0.030 1.00 2.74 H new ATOM 792 N ALA A 54 14.423 3.482 0.426 1.00 1.41 N ATOM 793 CA ALA A 54 15.359 2.364 0.441 1.00 1.31 C ATOM 794 C ALA A 54 14.694 1.116 -0.122 1.00 1.00 C ATOM 795 O ALA A 54 15.336 0.275 -0.760 1.00 0.95 O ATOM 796 CB ALA A 54 15.872 2.113 1.849 1.00 1.50 C ATOM 0 H ALA A 54 14.094 3.763 1.350 1.00 1.41 H new ATOM 0 HA ALA A 54 16.213 2.616 -0.188 1.00 1.31 H new ATOM 0 HB1 ALA A 54 16.569 1.275 1.838 1.00 1.50 H new ATOM 0 HB2 ALA A 54 16.382 3.004 2.215 1.00 1.50 H new ATOM 0 HB3 ALA A 54 15.034 1.879 2.505 1.00 1.50 H new ATOM 802 N LEU A 55 13.394 1.029 0.104 1.00 0.89 N ATOM 803 CA LEU A 55 12.590 -0.084 -0.366 1.00 0.74 C ATOM 804 C LEU A 55 12.601 -0.057 -1.890 1.00 0.70 C ATOM 805 O LEU A 55 12.668 -1.084 -2.564 1.00 0.73 O ATOM 806 CB LEU A 55 11.168 0.077 0.208 1.00 0.84 C ATOM 807 CG LEU A 55 10.231 -1.132 0.115 1.00 0.76 C ATOM 808 CD1 LEU A 55 9.809 -1.376 -1.318 1.00 1.32 C ATOM 809 CD2 LEU A 55 10.896 -2.363 0.702 1.00 1.01 C ATOM 0 H LEU A 55 12.865 1.732 0.621 1.00 0.89 H new ATOM 0 HA LEU A 55 12.981 -1.047 -0.037 1.00 0.74 H new ATOM 0 HB2 LEU A 55 11.258 0.354 1.258 1.00 0.84 H new ATOM 0 HB3 LEU A 55 10.691 0.913 -0.303 1.00 0.84 H new ATOM 0 HG LEU A 55 9.334 -0.918 0.696 1.00 0.76 H new ATOM 0 HD11 LEU A 55 9.144 -2.239 -1.360 1.00 1.32 H new ATOM 0 HD12 LEU A 55 9.288 -0.498 -1.698 1.00 1.32 H new ATOM 0 HD13 LEU A 55 10.691 -1.567 -1.929 1.00 1.32 H new ATOM 0 HD21 LEU A 55 10.218 -3.213 0.628 1.00 1.01 H new ATOM 0 HD22 LEU A 55 11.811 -2.580 0.151 1.00 1.01 H new ATOM 0 HD23 LEU A 55 11.138 -2.181 1.749 1.00 1.01 H new ATOM 821 N LEU A 56 12.555 1.149 -2.409 1.00 0.81 N ATOM 822 CA LEU A 56 12.678 1.411 -3.811 1.00 0.89 C ATOM 823 C LEU A 56 14.081 1.146 -4.323 1.00 0.83 C ATOM 824 O LEU A 56 14.255 0.653 -5.432 1.00 0.90 O ATOM 825 CB LEU A 56 12.328 2.859 -3.984 1.00 1.13 C ATOM 826 CG LEU A 56 11.341 3.176 -5.057 1.00 1.15 C ATOM 827 CD1 LEU A 56 12.013 3.384 -6.399 1.00 1.28 C ATOM 828 CD2 LEU A 56 10.308 2.085 -5.150 1.00 1.68 C ATOM 0 H LEU A 56 12.428 1.991 -1.847 1.00 0.81 H new ATOM 0 HA LEU A 56 12.022 0.753 -4.381 1.00 0.89 H new ATOM 0 HB2 LEU A 56 11.936 3.232 -3.038 1.00 1.13 H new ATOM 0 HB3 LEU A 56 13.245 3.411 -4.189 1.00 1.13 H new ATOM 0 HG LEU A 56 10.851 4.112 -4.790 1.00 1.15 H new ATOM 0 HD11 LEU A 56 11.259 3.613 -7.152 1.00 1.28 H new ATOM 0 HD12 LEU A 56 12.718 4.212 -6.328 1.00 1.28 H new ATOM 0 HD13 LEU A 56 12.546 2.477 -6.683 1.00 1.28 H new ATOM 0 HD21 LEU A 56 9.593 2.327 -5.936 1.00 1.68 H new ATOM 0 HD22 LEU A 56 10.797 1.139 -5.383 1.00 1.68 H new ATOM 0 HD23 LEU A 56 9.785 1.997 -4.198 1.00 1.68 H new ATOM 840 N ARG A 57 15.074 1.517 -3.526 1.00 0.82 N ATOM 841 CA ARG A 57 16.481 1.244 -3.849 1.00 0.88 C ATOM 842 C ARG A 57 16.698 -0.230 -4.201 1.00 0.87 C ATOM 843 O ARG A 57 17.599 -0.559 -4.974 1.00 0.98 O ATOM 844 CB ARG A 57 17.405 1.631 -2.690 1.00 1.09 C ATOM 845 CG ARG A 57 17.558 3.132 -2.487 1.00 1.53 C ATOM 846 CD ARG A 57 18.516 3.432 -1.344 1.00 1.95 C ATOM 847 NE ARG A 57 18.701 4.867 -1.122 1.00 2.59 N ATOM 848 CZ ARG A 57 18.758 5.426 0.088 1.00 3.23 C ATOM 849 NH1 ARG A 57 18.573 4.677 1.169 1.00 3.41 N ATOM 850 NH2 ARG A 57 18.993 6.728 0.217 1.00 4.07 N ATOM 0 H ARG A 57 14.937 2.011 -2.644 1.00 0.82 H new ATOM 0 HA ARG A 57 16.729 1.854 -4.718 1.00 0.88 H new ATOM 0 HB2 ARG A 57 17.021 1.189 -1.771 1.00 1.09 H new ATOM 0 HB3 ARG A 57 18.390 1.197 -2.865 1.00 1.09 H new ATOM 0 HG2 ARG A 57 17.926 3.591 -3.405 1.00 1.53 H new ATOM 0 HG3 ARG A 57 16.585 3.575 -2.277 1.00 1.53 H new ATOM 0 HD2 ARG A 57 18.139 2.973 -0.430 1.00 1.95 H new ATOM 0 HD3 ARG A 57 19.482 2.974 -1.556 1.00 1.95 H new ATOM 0 HE ARG A 57 18.791 5.473 -1.937 1.00 2.59 H new ATOM 0 HH11 ARG A 57 18.388 3.679 1.072 1.00 3.41 H new ATOM 0 HH12 ARG A 57 18.616 5.100 2.096 1.00 3.41 H new ATOM 0 HH21 ARG A 57 19.131 7.306 -0.612 1.00 4.07 H new ATOM 0 HH22 ARG A 57 19.035 7.149 1.145 1.00 4.07 H new ATOM 864 N GLN A 58 15.882 -1.112 -3.619 1.00 0.86 N ATOM 865 CA GLN A 58 15.892 -2.532 -3.987 1.00 1.07 C ATOM 866 C GLN A 58 15.702 -2.703 -5.493 1.00 1.15 C ATOM 867 O GLN A 58 16.435 -3.439 -6.150 1.00 1.40 O ATOM 868 CB GLN A 58 14.764 -3.281 -3.279 1.00 1.15 C ATOM 869 CG GLN A 58 14.807 -3.200 -1.765 1.00 0.96 C ATOM 870 CD GLN A 58 13.651 -3.927 -1.098 1.00 1.15 C ATOM 871 OE1 GLN A 58 13.794 -4.455 -0.001 1.00 1.75 O ATOM 872 NE2 GLN A 58 12.485 -3.933 -1.738 1.00 0.91 N ATOM 0 H GLN A 58 15.208 -0.870 -2.893 1.00 0.86 H new ATOM 0 HA GLN A 58 16.857 -2.938 -3.685 1.00 1.07 H new ATOM 0 HB2 GLN A 58 13.809 -2.884 -3.624 1.00 1.15 H new ATOM 0 HB3 GLN A 58 14.800 -4.329 -3.575 1.00 1.15 H new ATOM 0 HG2 GLN A 58 15.747 -3.622 -1.411 1.00 0.96 H new ATOM 0 HG3 GLN A 58 14.794 -2.153 -1.462 1.00 0.96 H new ATOM 0 HE21 GLN A 58 12.401 -3.484 -2.650 1.00 0.91 H new ATOM 0 HE22 GLN A 58 11.674 -4.387 -1.317 1.00 0.91 H new ATOM 881 N LEU A 59 14.708 -2.004 -6.019 1.00 1.05 N ATOM 882 CA LEU A 59 14.326 -2.111 -7.420 1.00 1.27 C ATOM 883 C LEU A 59 15.189 -1.194 -8.277 1.00 1.30 C ATOM 884 O LEU A 59 15.507 -1.509 -9.423 1.00 1.61 O ATOM 885 CB LEU A 59 12.836 -1.735 -7.545 1.00 1.40 C ATOM 886 CG LEU A 59 12.180 -1.875 -8.928 1.00 1.61 C ATOM 887 CD1 LEU A 59 10.672 -1.926 -8.773 1.00 1.94 C ATOM 888 CD2 LEU A 59 12.542 -0.715 -9.847 1.00 2.47 C ATOM 0 H LEU A 59 14.142 -1.345 -5.485 1.00 1.05 H new ATOM 0 HA LEU A 59 14.479 -3.131 -7.773 1.00 1.27 H new ATOM 0 HB2 LEU A 59 12.274 -2.351 -6.843 1.00 1.40 H new ATOM 0 HB3 LEU A 59 12.723 -0.700 -7.223 1.00 1.40 H new ATOM 0 HG LEU A 59 12.551 -2.796 -9.377 1.00 1.61 H new ATOM 0 HD11 LEU A 59 10.209 -2.025 -9.755 1.00 1.94 H new ATOM 0 HD12 LEU A 59 10.399 -2.781 -8.154 1.00 1.94 H new ATOM 0 HD13 LEU A 59 10.324 -1.009 -8.298 1.00 1.94 H new ATOM 0 HD21 LEU A 59 12.058 -0.852 -10.814 1.00 2.47 H new ATOM 0 HD22 LEU A 59 12.204 0.221 -9.402 1.00 2.47 H new ATOM 0 HD23 LEU A 59 13.623 -0.683 -9.983 1.00 2.47 H new ATOM 900 N GLN A 60 15.583 -0.075 -7.698 1.00 1.09 N ATOM 901 CA GLN A 60 16.301 0.957 -8.426 1.00 1.19 C ATOM 902 C GLN A 60 17.754 0.547 -8.662 1.00 1.31 C ATOM 903 O GLN A 60 18.510 0.333 -7.713 1.00 1.42 O ATOM 904 CB GLN A 60 16.231 2.269 -7.648 1.00 1.31 C ATOM 905 CG GLN A 60 16.658 3.481 -8.458 1.00 1.43 C ATOM 906 CD GLN A 60 16.699 4.765 -7.643 1.00 1.79 C ATOM 907 OE1 GLN A 60 15.811 4.898 -6.665 1.00 2.58 O flip ATOM 908 NE2 GLN A 60 17.519 5.646 -7.904 1.00 1.95 N flip ATOM 0 H GLN A 60 15.416 0.144 -6.716 1.00 1.09 H new ATOM 0 HA GLN A 60 15.833 1.093 -9.401 1.00 1.19 H new ATOM 0 HB2 GLN A 60 15.210 2.419 -7.296 1.00 1.31 H new ATOM 0 HB3 GLN A 60 16.864 2.192 -6.764 1.00 1.31 H new ATOM 0 HG2 GLN A 60 17.645 3.296 -8.882 1.00 1.43 H new ATOM 0 HG3 GLN A 60 15.971 3.611 -9.294 1.00 1.43 H new ATOM 0 HE21 GLN A 60 18.188 5.512 -8.662 1.00 1.95 H new ATOM 0 HE22 GLN A 60 17.529 6.510 -7.362 1.00 1.95 H new ATOM 1254 N GLY B 8 -19.909 -0.638 -7.846 1.00 4.66 N ATOM 1255 CA GLY B 8 -20.416 -1.766 -7.078 1.00 4.09 C ATOM 1256 C GLY B 8 -19.481 -2.961 -7.032 1.00 4.04 C ATOM 1257 O GLY B 8 -19.211 -3.489 -5.954 1.00 3.54 O ATOM 0 HA2 GLY B 8 -20.615 -1.436 -6.058 1.00 4.09 H new ATOM 0 HA3 GLY B 8 -21.369 -2.081 -7.503 1.00 4.09 H new ATOM 1261 N ALA B 9 -18.980 -3.380 -8.185 1.00 4.69 N ATOM 1262 CA ALA B 9 -18.105 -4.544 -8.257 1.00 4.91 C ATOM 1263 C ALA B 9 -16.807 -4.309 -7.491 1.00 4.50 C ATOM 1264 O ALA B 9 -16.391 -5.146 -6.682 1.00 4.40 O ATOM 1265 CB ALA B 9 -17.816 -4.899 -9.706 1.00 5.78 C ATOM 0 H ALA B 9 -19.163 -2.933 -9.083 1.00 4.69 H new ATOM 0 HA ALA B 9 -18.620 -5.383 -7.788 1.00 4.91 H new ATOM 0 HB1 ALA B 9 -17.162 -5.770 -9.744 1.00 5.78 H new ATOM 0 HB2 ALA B 9 -18.751 -5.125 -10.219 1.00 5.78 H new ATOM 0 HB3 ALA B 9 -17.328 -4.057 -10.197 1.00 5.78 H new ATOM 1271 N LEU B 10 -16.179 -3.164 -7.731 1.00 4.38 N ATOM 1272 CA LEU B 10 -14.933 -2.818 -7.062 1.00 3.97 C ATOM 1273 C LEU B 10 -15.148 -2.684 -5.559 1.00 3.17 C ATOM 1274 O LEU B 10 -14.397 -3.245 -4.762 1.00 2.96 O ATOM 1275 CB LEU B 10 -14.361 -1.515 -7.632 1.00 4.13 C ATOM 1276 CG LEU B 10 -13.097 -0.990 -6.939 1.00 3.77 C ATOM 1277 CD1 LEU B 10 -11.946 -1.973 -7.093 1.00 3.68 C ATOM 1278 CD2 LEU B 10 -12.710 0.368 -7.501 1.00 4.12 C ATOM 0 H LEU B 10 -16.514 -2.458 -8.386 1.00 4.38 H new ATOM 0 HA LEU B 10 -14.218 -3.621 -7.239 1.00 3.97 H new ATOM 0 HB2 LEU B 10 -14.139 -1.668 -8.688 1.00 4.13 H new ATOM 0 HB3 LEU B 10 -15.131 -0.746 -7.576 1.00 4.13 H new ATOM 0 HG LEU B 10 -13.313 -0.881 -5.876 1.00 3.77 H new ATOM 0 HD11 LEU B 10 -11.061 -1.578 -6.593 1.00 3.68 H new ATOM 0 HD12 LEU B 10 -12.220 -2.928 -6.645 1.00 3.68 H new ATOM 0 HD13 LEU B 10 -11.731 -2.118 -8.152 1.00 3.68 H new ATOM 0 HD21 LEU B 10 -11.811 0.727 -6.999 1.00 4.12 H new ATOM 0 HD22 LEU B 10 -12.517 0.278 -8.570 1.00 4.12 H new ATOM 0 HD23 LEU B 10 -13.524 1.075 -7.338 1.00 4.12 H new ATOM 1290 N LEU B 11 -16.196 -1.968 -5.185 1.00 2.86 N ATOM 1291 CA LEU B 11 -16.505 -1.729 -3.784 1.00 2.18 C ATOM 1292 C LEU B 11 -16.799 -3.052 -3.072 1.00 2.26 C ATOM 1293 O LEU B 11 -16.242 -3.332 -2.014 1.00 2.13 O ATOM 1294 CB LEU B 11 -17.703 -0.768 -3.687 1.00 2.17 C ATOM 1295 CG LEU B 11 -17.907 -0.053 -2.340 1.00 1.84 C ATOM 1296 CD1 LEU B 11 -18.427 -1.002 -1.276 1.00 1.83 C ATOM 1297 CD2 LEU B 11 -16.615 0.603 -1.878 1.00 1.71 C ATOM 0 H LEU B 11 -16.852 -1.539 -5.838 1.00 2.86 H new ATOM 0 HA LEU B 11 -15.647 -1.272 -3.291 1.00 2.18 H new ATOM 0 HB2 LEU B 11 -17.594 -0.009 -4.462 1.00 2.17 H new ATOM 0 HB3 LEU B 11 -18.609 -1.329 -3.915 1.00 2.17 H new ATOM 0 HG LEU B 11 -18.659 0.721 -2.492 1.00 1.84 H new ATOM 0 HD11 LEU B 11 -18.559 -0.461 -0.339 1.00 1.83 H new ATOM 0 HD12 LEU B 11 -19.384 -1.416 -1.594 1.00 1.83 H new ATOM 0 HD13 LEU B 11 -17.712 -1.812 -1.130 1.00 1.83 H new ATOM 0 HD21 LEU B 11 -16.782 1.103 -0.924 1.00 1.71 H new ATOM 0 HD22 LEU B 11 -15.843 -0.157 -1.759 1.00 1.71 H new ATOM 0 HD23 LEU B 11 -16.293 1.334 -2.619 1.00 1.71 H new ATOM 1309 N ALA B 12 -17.644 -3.876 -3.680 1.00 2.76 N ATOM 1310 CA ALA B 12 -18.065 -5.131 -3.068 1.00 3.14 C ATOM 1311 C ALA B 12 -16.884 -6.071 -2.828 1.00 3.58 C ATOM 1312 O ALA B 12 -16.731 -6.617 -1.734 1.00 3.74 O ATOM 1313 CB ALA B 12 -19.114 -5.815 -3.933 1.00 3.68 C ATOM 0 H ALA B 12 -18.052 -3.698 -4.598 1.00 2.76 H new ATOM 0 HA ALA B 12 -18.500 -4.893 -2.097 1.00 3.14 H new ATOM 0 HB1 ALA B 12 -19.419 -6.750 -3.464 1.00 3.68 H new ATOM 0 HB2 ALA B 12 -19.981 -5.162 -4.038 1.00 3.68 H new ATOM 0 HB3 ALA B 12 -18.695 -6.023 -4.917 1.00 3.68 H new ATOM 1319 N HIS B 13 -16.036 -6.253 -3.838 1.00 3.94 N ATOM 1320 CA HIS B 13 -14.944 -7.215 -3.720 1.00 4.46 C ATOM 1321 C HIS B 13 -13.820 -6.670 -2.833 1.00 4.06 C ATOM 1322 O HIS B 13 -13.094 -7.436 -2.211 1.00 4.48 O ATOM 1323 CB HIS B 13 -14.419 -7.663 -5.097 1.00 5.05 C ATOM 1324 CG HIS B 13 -13.328 -6.819 -5.690 1.00 4.87 C ATOM 1325 ND1 HIS B 13 -13.377 -5.647 -6.354 1.00 4.94 N flip ATOM 1326 CD2 HIS B 13 -12.002 -7.181 -5.660 1.00 4.82 C flip ATOM 1327 CE1 HIS B 13 -12.093 -5.324 -6.725 1.00 4.81 C flip ATOM 1328 NE2 HIS B 13 -11.284 -6.272 -6.285 1.00 4.82 N flip ATOM 0 H HIS B 13 -16.081 -5.759 -4.729 1.00 3.94 H new ATOM 0 HA HIS B 13 -15.345 -8.104 -3.234 1.00 4.46 H new ATOM 0 HB2 HIS B 13 -14.053 -8.686 -5.009 1.00 5.05 H new ATOM 0 HB3 HIS B 13 -15.256 -7.683 -5.795 1.00 5.05 H new ATOM 0 HD2 HIS B 13 -11.610 -8.074 -5.195 1.00 4.82 H new ATOM 0 HE1 HIS B 13 -11.797 -4.447 -7.280 1.00 4.81 H new ATOM 0 HE2 HIS B 13 -10.272 -6.295 -6.409 1.00 4.82 H new ATOM 1337 N ALA B 14 -13.681 -5.353 -2.774 1.00 3.33 N ATOM 1338 CA ALA B 14 -12.669 -4.746 -1.921 1.00 2.95 C ATOM 1339 C ALA B 14 -13.109 -4.764 -0.458 1.00 2.97 C ATOM 1340 O ALA B 14 -12.298 -4.997 0.437 1.00 3.30 O ATOM 1341 CB ALA B 14 -12.366 -3.326 -2.373 1.00 2.26 C ATOM 0 H ALA B 14 -14.250 -4.690 -3.301 1.00 3.33 H new ATOM 0 HA ALA B 14 -11.756 -5.335 -2.008 1.00 2.95 H new ATOM 0 HB1 ALA B 14 -11.607 -2.891 -1.722 1.00 2.26 H new ATOM 0 HB2 ALA B 14 -11.998 -3.341 -3.399 1.00 2.26 H new ATOM 0 HB3 ALA B 14 -13.275 -2.726 -2.322 1.00 2.26 H new ATOM 1347 N ALA B 15 -14.397 -4.523 -0.227 1.00 2.80 N ATOM 1348 CA ALA B 15 -14.948 -4.511 1.122 1.00 3.07 C ATOM 1349 C ALA B 15 -14.971 -5.908 1.722 1.00 3.91 C ATOM 1350 O ALA B 15 -14.676 -6.090 2.906 1.00 4.37 O ATOM 1351 CB ALA B 15 -16.349 -3.915 1.117 1.00 2.79 C ATOM 0 H ALA B 15 -15.080 -4.333 -0.961 1.00 2.80 H new ATOM 0 HA ALA B 15 -14.302 -3.890 1.742 1.00 3.07 H new ATOM 0 HB1 ALA B 15 -16.747 -3.913 2.132 1.00 2.79 H new ATOM 0 HB2 ALA B 15 -16.308 -2.893 0.741 1.00 2.79 H new ATOM 0 HB3 ALA B 15 -16.996 -4.512 0.475 1.00 2.79 H new ATOM 1357 N SER B 16 -15.309 -6.896 0.903 1.00 4.22 N ATOM 1358 CA SER B 16 -15.350 -8.276 1.360 1.00 5.05 C ATOM 1359 C SER B 16 -13.959 -8.751 1.764 1.00 5.46 C ATOM 1360 O SER B 16 -13.797 -9.437 2.773 1.00 6.10 O ATOM 1361 CB SER B 16 -15.941 -9.183 0.277 1.00 5.36 C ATOM 1362 OG SER B 16 -15.298 -8.985 -0.972 1.00 5.53 O ATOM 0 H SER B 16 -15.558 -6.766 -0.078 1.00 4.22 H new ATOM 0 HA SER B 16 -15.994 -8.328 2.238 1.00 5.05 H new ATOM 0 HB2 SER B 16 -15.840 -10.226 0.579 1.00 5.36 H new ATOM 0 HB3 SER B 16 -17.008 -8.983 0.175 1.00 5.36 H new ATOM 0 HG SER B 16 -15.621 -8.154 -1.378 1.00 5.53 H new ATOM 1368 N LEU B 17 -12.953 -8.364 0.986 1.00 5.11 N ATOM 1369 CA LEU B 17 -11.572 -8.708 1.306 1.00 5.45 C ATOM 1370 C LEU B 17 -11.065 -7.845 2.454 1.00 5.30 C ATOM 1371 O LEU B 17 -10.170 -8.241 3.194 1.00 5.77 O ATOM 1372 CB LEU B 17 -10.676 -8.524 0.081 1.00 5.21 C ATOM 1373 CG LEU B 17 -11.056 -9.367 -1.135 1.00 5.62 C ATOM 1374 CD1 LEU B 17 -10.130 -9.062 -2.299 1.00 5.51 C ATOM 1375 CD2 LEU B 17 -11.021 -10.848 -0.795 1.00 6.49 C ATOM 0 H LEU B 17 -13.067 -7.815 0.134 1.00 5.11 H new ATOM 0 HA LEU B 17 -11.541 -9.755 1.609 1.00 5.45 H new ATOM 0 HB2 LEU B 17 -10.692 -7.473 -0.206 1.00 5.21 H new ATOM 0 HB3 LEU B 17 -9.650 -8.762 0.362 1.00 5.21 H new ATOM 0 HG LEU B 17 -12.074 -9.111 -1.427 1.00 5.62 H new ATOM 0 HD11 LEU B 17 -10.413 -9.670 -3.158 1.00 5.51 H new ATOM 0 HD12 LEU B 17 -10.209 -8.007 -2.560 1.00 5.51 H new ATOM 0 HD13 LEU B 17 -9.102 -9.290 -2.016 1.00 5.51 H new ATOM 0 HD21 LEU B 17 -11.295 -11.430 -1.675 1.00 6.49 H new ATOM 0 HD22 LEU B 17 -10.016 -11.124 -0.476 1.00 6.49 H new ATOM 0 HD23 LEU B 17 -11.727 -11.053 0.010 1.00 6.49 H new ATOM 1387 N GLY B 18 -11.659 -6.672 2.610 1.00 4.72 N ATOM 1388 CA GLY B 18 -11.295 -5.800 3.706 1.00 4.73 C ATOM 1389 C GLY B 18 -10.038 -5.006 3.428 1.00 4.26 C ATOM 1390 O GLY B 18 -9.223 -4.788 4.328 1.00 4.55 O ATOM 0 H GLY B 18 -12.388 -6.308 1.996 1.00 4.72 H new ATOM 0 HA2 GLY B 18 -12.117 -5.113 3.906 1.00 4.73 H new ATOM 0 HA3 GLY B 18 -11.151 -6.396 4.607 1.00 4.73 H new ATOM 1394 N VAL B 19 -9.873 -4.578 2.184 1.00 3.60 N ATOM 1395 CA VAL B 19 -8.742 -3.740 1.814 1.00 3.07 C ATOM 1396 C VAL B 19 -8.922 -2.354 2.422 1.00 2.71 C ATOM 1397 O VAL B 19 -10.015 -1.788 2.365 1.00 2.39 O ATOM 1398 CB VAL B 19 -8.598 -3.623 0.281 1.00 2.62 C ATOM 1399 CG1 VAL B 19 -7.375 -2.800 -0.087 1.00 2.10 C ATOM 1400 CG2 VAL B 19 -8.526 -5.000 -0.360 1.00 3.34 C ATOM 0 H VAL B 19 -10.507 -4.797 1.416 1.00 3.60 H new ATOM 0 HA VAL B 19 -7.834 -4.204 2.199 1.00 3.07 H new ATOM 0 HB VAL B 19 -9.481 -3.111 -0.102 1.00 2.62 H new ATOM 0 HG11 VAL B 19 -7.295 -2.732 -1.172 1.00 2.10 H new ATOM 0 HG12 VAL B 19 -7.470 -1.799 0.333 1.00 2.10 H new ATOM 0 HG13 VAL B 19 -6.481 -3.278 0.313 1.00 2.10 H new ATOM 0 HG21 VAL B 19 -8.425 -4.894 -1.440 1.00 3.34 H new ATOM 0 HG22 VAL B 19 -7.665 -5.540 0.034 1.00 3.34 H new ATOM 0 HG23 VAL B 19 -9.437 -5.555 -0.134 1.00 3.34 H new ATOM 1410 N ARG B 20 -7.868 -1.832 3.039 1.00 2.95 N ATOM 1411 CA ARG B 20 -7.939 -0.549 3.728 1.00 3.09 C ATOM 1412 C ARG B 20 -6.784 0.359 3.313 1.00 2.88 C ATOM 1413 O ARG B 20 -5.625 -0.053 3.335 1.00 2.99 O ATOM 1414 CB ARG B 20 -7.880 -0.772 5.239 1.00 3.99 C ATOM 1415 CG ARG B 20 -8.767 -1.904 5.726 1.00 4.33 C ATOM 1416 CD ARG B 20 -8.460 -2.268 7.166 1.00 5.13 C ATOM 1417 NE ARG B 20 -9.062 -3.546 7.541 1.00 5.49 N ATOM 1418 CZ ARG B 20 -8.843 -4.161 8.702 1.00 6.26 C ATOM 1419 NH1 ARG B 20 -8.039 -3.619 9.608 1.00 6.80 N ATOM 1420 NH2 ARG B 20 -9.418 -5.328 8.961 1.00 6.67 N ATOM 0 H ARG B 20 -6.952 -2.279 3.076 1.00 2.95 H new ATOM 0 HA ARG B 20 -8.879 -0.069 3.456 1.00 3.09 H new ATOM 0 HB2 ARG B 20 -6.849 -0.981 5.526 1.00 3.99 H new ATOM 0 HB3 ARG B 20 -8.171 0.149 5.744 1.00 3.99 H new ATOM 0 HG2 ARG B 20 -9.813 -1.612 5.638 1.00 4.33 H new ATOM 0 HG3 ARG B 20 -8.626 -2.778 5.090 1.00 4.33 H new ATOM 0 HD2 ARG B 20 -7.380 -2.319 7.306 1.00 5.13 H new ATOM 0 HD3 ARG B 20 -8.830 -1.484 7.826 1.00 5.13 H new ATOM 0 HE ARG B 20 -9.688 -3.994 6.872 1.00 5.49 H new ATOM 0 HH11 ARG B 20 -7.584 -2.726 9.417 1.00 6.80 H new ATOM 0 HH12 ARG B 20 -7.876 -4.095 10.495 1.00 6.80 H new ATOM 0 HH21 ARG B 20 -10.031 -5.759 8.269 1.00 6.67 H new ATOM 0 HH22 ARG B 20 -9.247 -5.794 9.852 1.00 6.67 H new ATOM 1434 N LEU B 21 -7.105 1.584 2.920 1.00 2.77 N ATOM 1435 CA LEU B 21 -6.086 2.587 2.632 1.00 2.92 C ATOM 1436 C LEU B 21 -6.462 3.911 3.279 1.00 3.68 C ATOM 1437 O LEU B 21 -7.525 4.462 3.002 1.00 3.80 O ATOM 1438 CB LEU B 21 -5.908 2.808 1.122 1.00 2.28 C ATOM 1439 CG LEU B 21 -5.271 1.659 0.334 1.00 1.58 C ATOM 1440 CD1 LEU B 21 -6.305 0.611 -0.037 1.00 1.07 C ATOM 1441 CD2 LEU B 21 -4.586 2.187 -0.914 1.00 1.46 C ATOM 0 H LEU B 21 -8.064 1.909 2.793 1.00 2.77 H new ATOM 0 HA LEU B 21 -5.145 2.217 3.040 1.00 2.92 H new ATOM 0 HB2 LEU B 21 -6.887 3.017 0.690 1.00 2.28 H new ATOM 0 HB3 LEU B 21 -5.299 3.700 0.977 1.00 2.28 H new ATOM 0 HG LEU B 21 -4.524 1.188 0.973 1.00 1.58 H new ATOM 0 HD11 LEU B 21 -5.825 -0.192 -0.596 1.00 1.07 H new ATOM 0 HD12 LEU B 21 -6.753 0.205 0.870 1.00 1.07 H new ATOM 0 HD13 LEU B 21 -7.081 1.067 -0.652 1.00 1.07 H new ATOM 0 HD21 LEU B 21 -4.139 1.358 -1.462 1.00 1.46 H new ATOM 0 HD22 LEU B 21 -5.319 2.687 -1.547 1.00 1.46 H new ATOM 0 HD23 LEU B 21 -3.808 2.896 -0.630 1.00 1.46 H new ATOM 1453 N TRP B 22 -5.583 4.428 4.121 1.00 4.27 N ATOM 1454 CA TRP B 22 -5.816 5.706 4.775 1.00 5.07 C ATOM 1455 C TRP B 22 -4.538 6.531 4.763 1.00 5.46 C ATOM 1456 O TRP B 22 -3.433 5.986 4.800 1.00 5.34 O ATOM 1457 CB TRP B 22 -6.335 5.513 6.209 1.00 5.66 C ATOM 1458 CG TRP B 22 -5.359 4.864 7.148 1.00 5.95 C ATOM 1459 CD1 TRP B 22 -4.568 5.497 8.065 1.00 6.65 C ATOM 1460 CD2 TRP B 22 -5.082 3.464 7.274 1.00 5.65 C ATOM 1461 NE1 TRP B 22 -3.814 4.577 8.751 1.00 6.80 N ATOM 1462 CE2 TRP B 22 -4.111 3.323 8.284 1.00 6.24 C ATOM 1463 CE3 TRP B 22 -5.559 2.314 6.633 1.00 5.04 C ATOM 1464 CZ2 TRP B 22 -3.606 2.082 8.662 1.00 6.30 C ATOM 1465 CZ3 TRP B 22 -5.057 1.084 7.012 1.00 5.15 C ATOM 1466 CH2 TRP B 22 -4.090 0.976 8.018 1.00 5.80 C ATOM 0 H TRP B 22 -4.700 3.982 4.369 1.00 4.27 H new ATOM 0 HA TRP B 22 -6.587 6.243 4.222 1.00 5.07 H new ATOM 0 HB2 TRP B 22 -6.615 6.486 6.613 1.00 5.66 H new ATOM 0 HB3 TRP B 22 -7.242 4.909 6.174 1.00 5.66 H new ATOM 0 HD1 TRP B 22 -4.540 6.564 8.227 1.00 6.65 H new ATOM 0 HE1 TRP B 22 -3.142 4.792 9.488 1.00 6.80 H new ATOM 0 HE3 TRP B 22 -6.306 2.387 5.856 1.00 5.04 H new ATOM 0 HZ2 TRP B 22 -2.858 1.995 9.437 1.00 6.30 H new ATOM 0 HZ3 TRP B 22 -5.417 0.190 6.524 1.00 5.15 H new ATOM 0 HH2 TRP B 22 -3.718 -0.000 8.292 1.00 5.80 H new ATOM 1477 N VAL B 23 -4.685 7.843 4.694 1.00 5.98 N ATOM 1478 CA VAL B 23 -3.537 8.721 4.571 1.00 6.42 C ATOM 1479 C VAL B 23 -3.133 9.300 5.924 1.00 7.21 C ATOM 1480 O VAL B 23 -3.957 9.841 6.663 1.00 7.74 O ATOM 1481 CB VAL B 23 -3.796 9.859 3.550 1.00 6.77 C ATOM 1482 CG1 VAL B 23 -5.012 10.696 3.941 1.00 7.35 C ATOM 1483 CG2 VAL B 23 -2.565 10.737 3.398 1.00 7.25 C ATOM 0 H VAL B 23 -5.585 8.321 4.721 1.00 5.98 H new ATOM 0 HA VAL B 23 -2.711 8.116 4.198 1.00 6.42 H new ATOM 0 HB VAL B 23 -4.010 9.395 2.587 1.00 6.77 H new ATOM 0 HG11 VAL B 23 -5.164 11.484 3.203 1.00 7.35 H new ATOM 0 HG12 VAL B 23 -5.896 10.059 3.978 1.00 7.35 H new ATOM 0 HG13 VAL B 23 -4.846 11.143 4.921 1.00 7.35 H new ATOM 0 HG21 VAL B 23 -2.769 11.529 2.677 1.00 7.25 H new ATOM 0 HG22 VAL B 23 -2.313 11.180 4.361 1.00 7.25 H new ATOM 0 HG23 VAL B 23 -1.729 10.133 3.046 1.00 7.25 H new ATOM 1493 N GLU B 24 -1.861 9.155 6.243 1.00 7.30 N ATOM 1494 CA GLU B 24 -1.296 9.723 7.450 1.00 8.08 C ATOM 1495 C GLU B 24 -0.207 10.709 7.046 1.00 8.45 C ATOM 1496 O GLU B 24 0.789 10.327 6.426 1.00 8.09 O ATOM 1497 CB GLU B 24 -0.732 8.618 8.342 1.00 7.99 C ATOM 1498 CG GLU B 24 -0.220 9.102 9.687 1.00 8.87 C ATOM 1499 CD GLU B 24 0.368 7.980 10.517 1.00 9.06 C ATOM 1500 OE1 GLU B 24 -0.392 7.299 11.234 1.00 9.18 O ATOM 1501 OE2 GLU B 24 1.596 7.766 10.448 1.00 9.44 O ATOM 0 H GLU B 24 -1.191 8.640 5.672 1.00 7.30 H new ATOM 0 HA GLU B 24 -2.066 10.242 8.021 1.00 8.08 H new ATOM 0 HB2 GLU B 24 -1.508 7.871 8.509 1.00 7.99 H new ATOM 0 HB3 GLU B 24 0.082 8.121 7.814 1.00 7.99 H new ATOM 0 HG2 GLU B 24 0.538 9.870 9.530 1.00 8.87 H new ATOM 0 HG3 GLU B 24 -1.037 9.568 10.238 1.00 8.87 H new ATOM 1508 N GLY B 25 -0.407 11.973 7.381 1.00 9.20 N ATOM 1509 CA GLY B 25 0.433 13.015 6.839 1.00 9.66 C ATOM 1510 C GLY B 25 0.168 13.192 5.361 1.00 9.29 C ATOM 1511 O GLY B 25 -0.888 13.690 4.971 1.00 9.46 O ATOM 0 H GLY B 25 -1.136 12.295 8.018 1.00 9.20 H new ATOM 0 HA2 GLY B 25 0.245 13.952 7.363 1.00 9.66 H new ATOM 0 HA3 GLY B 25 1.482 12.765 6.999 1.00 9.66 H new ATOM 1515 N GLU B 26 1.117 12.782 4.538 1.00 8.83 N ATOM 1516 CA GLU B 26 0.923 12.767 3.098 1.00 8.54 C ATOM 1517 C GLU B 26 1.008 11.336 2.571 1.00 7.58 C ATOM 1518 O GLU B 26 0.596 11.043 1.444 1.00 7.39 O ATOM 1519 CB GLU B 26 1.976 13.637 2.401 1.00 8.75 C ATOM 1520 CG GLU B 26 3.366 13.013 2.332 1.00 9.32 C ATOM 1521 CD GLU B 26 4.100 12.998 3.661 1.00 8.94 C ATOM 1522 OE1 GLU B 26 3.755 12.178 4.541 1.00 9.25 O ATOM 1523 OE2 GLU B 26 5.058 13.782 3.814 1.00 9.09 O ATOM 0 H GLU B 26 2.033 12.454 4.843 1.00 8.83 H new ATOM 0 HA GLU B 26 -0.065 13.172 2.882 1.00 8.54 H new ATOM 0 HB2 GLU B 26 1.638 13.853 1.388 1.00 8.75 H new ATOM 0 HB3 GLU B 26 2.045 14.591 2.924 1.00 8.75 H new ATOM 0 HG2 GLU B 26 3.277 11.990 1.966 1.00 9.32 H new ATOM 0 HG3 GLU B 26 3.964 13.561 1.604 1.00 9.32 H new ATOM 1530 N ARG B 27 1.535 10.444 3.400 1.00 7.08 N ATOM 1531 CA ARG B 27 1.859 9.102 2.960 1.00 6.17 C ATOM 1532 C ARG B 27 0.714 8.136 3.249 1.00 5.81 C ATOM 1533 O ARG B 27 0.051 8.218 4.283 1.00 6.17 O ATOM 1534 CB ARG B 27 3.162 8.634 3.621 1.00 5.82 C ATOM 1535 CG ARG B 27 3.858 7.499 2.880 1.00 5.05 C ATOM 1536 CD ARG B 27 4.030 7.819 1.399 1.00 5.18 C ATOM 1537 NE ARG B 27 4.771 9.062 1.182 1.00 5.89 N ATOM 1538 CZ ARG B 27 4.524 9.923 0.193 1.00 6.56 C ATOM 1539 NH1 ARG B 27 3.551 9.687 -0.681 1.00 6.63 N ATOM 1540 NH2 ARG B 27 5.254 11.021 0.086 1.00 7.34 N ATOM 0 H ARG B 27 1.746 10.630 4.381 1.00 7.08 H new ATOM 0 HA ARG B 27 2.005 9.116 1.880 1.00 6.17 H new ATOM 0 HB2 ARG B 27 3.845 9.480 3.693 1.00 5.82 H new ATOM 0 HB3 ARG B 27 2.946 8.311 4.639 1.00 5.82 H new ATOM 0 HG2 ARG B 27 4.834 7.315 3.329 1.00 5.05 H new ATOM 0 HG3 ARG B 27 3.279 6.582 2.990 1.00 5.05 H new ATOM 0 HD2 ARG B 27 4.553 6.997 0.910 1.00 5.18 H new ATOM 0 HD3 ARG B 27 3.049 7.897 0.930 1.00 5.18 H new ATOM 0 HE ARG B 27 5.527 9.285 1.830 1.00 5.89 H new ATOM 0 HH11 ARG B 27 2.986 8.842 -0.599 1.00 6.63 H new ATOM 0 HH12 ARG B 27 3.370 10.351 -1.434 1.00 6.63 H new ATOM 0 HH21 ARG B 27 6.000 11.205 0.757 1.00 7.34 H new ATOM 0 HH22 ARG B 27 5.071 11.684 -0.667 1.00 7.34 H new ATOM 1554 N LEU B 28 0.503 7.221 2.317 1.00 5.18 N ATOM 1555 CA LEU B 28 -0.612 6.288 2.371 1.00 4.75 C ATOM 1556 C LEU B 28 -0.234 5.060 3.200 1.00 4.35 C ATOM 1557 O LEU B 28 0.847 4.499 3.025 1.00 3.95 O ATOM 1558 CB LEU B 28 -0.987 5.904 0.924 1.00 4.29 C ATOM 1559 CG LEU B 28 -2.304 5.135 0.711 1.00 3.68 C ATOM 1560 CD1 LEU B 28 -2.165 3.677 1.110 1.00 3.48 C ATOM 1561 CD2 LEU B 28 -3.440 5.798 1.477 1.00 3.83 C ATOM 0 H LEU B 28 1.101 7.104 1.499 1.00 5.18 H new ATOM 0 HA LEU B 28 -1.474 6.747 2.855 1.00 4.75 H new ATOM 0 HB2 LEU B 28 -1.033 6.820 0.334 1.00 4.29 H new ATOM 0 HB3 LEU B 28 -0.176 5.302 0.515 1.00 4.29 H new ATOM 0 HG LEU B 28 -2.540 5.165 -0.353 1.00 3.68 H new ATOM 0 HD11 LEU B 28 -3.112 3.163 0.947 1.00 3.48 H new ATOM 0 HD12 LEU B 28 -1.389 3.207 0.506 1.00 3.48 H new ATOM 0 HD13 LEU B 28 -1.894 3.612 2.164 1.00 3.48 H new ATOM 0 HD21 LEU B 28 -4.362 5.241 1.314 1.00 3.83 H new ATOM 0 HD22 LEU B 28 -3.204 5.807 2.541 1.00 3.83 H new ATOM 0 HD23 LEU B 28 -3.568 6.822 1.125 1.00 3.83 H new ATOM 1573 N ARG B 29 -1.114 4.675 4.118 1.00 4.62 N ATOM 1574 CA ARG B 29 -0.950 3.444 4.887 1.00 4.54 C ATOM 1575 C ARG B 29 -1.842 2.361 4.295 1.00 3.87 C ATOM 1576 O ARG B 29 -3.031 2.591 4.065 1.00 3.74 O ATOM 1577 CB ARG B 29 -1.310 3.657 6.363 1.00 5.38 C ATOM 1578 CG ARG B 29 -0.180 4.207 7.229 1.00 6.16 C ATOM 1579 CD ARG B 29 0.316 5.552 6.735 1.00 6.30 C ATOM 1580 NE ARG B 29 1.208 6.198 7.694 1.00 6.97 N ATOM 1581 CZ ARG B 29 2.437 6.606 7.412 1.00 7.39 C ATOM 1582 NH1 ARG B 29 2.977 6.334 6.231 1.00 7.29 N ATOM 1583 NH2 ARG B 29 3.133 7.270 8.323 1.00 8.07 N ATOM 0 H ARG B 29 -1.956 5.202 4.350 1.00 4.62 H new ATOM 0 HA ARG B 29 0.096 3.141 4.834 1.00 4.54 H new ATOM 0 HB2 ARG B 29 -2.157 4.341 6.420 1.00 5.38 H new ATOM 0 HB3 ARG B 29 -1.639 2.706 6.782 1.00 5.38 H new ATOM 0 HG2 ARG B 29 -0.527 4.305 8.258 1.00 6.16 H new ATOM 0 HG3 ARG B 29 0.647 3.497 7.238 1.00 6.16 H new ATOM 0 HD2 ARG B 29 0.839 5.419 5.788 1.00 6.30 H new ATOM 0 HD3 ARG B 29 -0.537 6.202 6.540 1.00 6.30 H new ATOM 0 HE ARG B 29 0.863 6.345 8.642 1.00 6.97 H new ATOM 0 HH11 ARG B 29 2.446 5.809 5.536 1.00 7.29 H new ATOM 0 HH12 ARG B 29 3.923 6.650 6.018 1.00 7.29 H new ATOM 0 HH21 ARG B 29 2.723 7.465 9.236 1.00 8.07 H new ATOM 0 HH22 ARG B 29 4.079 7.586 8.111 1.00 8.07 H new ATOM 1597 N PHE B 30 -1.276 1.189 4.059 1.00 3.54 N ATOM 1598 CA PHE B 30 -1.976 0.138 3.336 1.00 3.01 C ATOM 1599 C PHE B 30 -2.253 -1.056 4.247 1.00 3.62 C ATOM 1600 O PHE B 30 -1.364 -1.530 4.948 1.00 4.16 O ATOM 1601 CB PHE B 30 -1.129 -0.305 2.140 1.00 2.37 C ATOM 1602 CG PHE B 30 -1.918 -0.619 0.903 1.00 1.77 C ATOM 1603 CD1 PHE B 30 -2.914 -1.580 0.917 1.00 1.94 C ATOM 1604 CD2 PHE B 30 -1.656 0.052 -0.280 1.00 2.01 C ATOM 1605 CE1 PHE B 30 -3.635 -1.866 -0.227 1.00 1.84 C ATOM 1606 CE2 PHE B 30 -2.370 -0.229 -1.428 1.00 1.96 C ATOM 1607 CZ PHE B 30 -3.360 -1.190 -1.401 1.00 1.59 C ATOM 0 H PHE B 30 -0.333 0.940 4.357 1.00 3.54 H new ATOM 0 HA PHE B 30 -2.931 0.529 2.986 1.00 3.01 H new ATOM 0 HB2 PHE B 30 -0.411 0.481 1.908 1.00 2.37 H new ATOM 0 HB3 PHE B 30 -0.555 -1.187 2.424 1.00 2.37 H new ATOM 0 HD1 PHE B 30 -3.130 -2.112 1.832 1.00 1.94 H new ATOM 0 HD2 PHE B 30 -0.883 0.805 -0.305 1.00 2.01 H new ATOM 0 HE1 PHE B 30 -4.412 -2.616 -0.204 1.00 1.84 H new ATOM 0 HE2 PHE B 30 -2.154 0.301 -2.344 1.00 1.96 H new ATOM 0 HZ PHE B 30 -3.920 -1.414 -2.297 1.00 1.59 H new ATOM 1617 N GLN B 31 -3.485 -1.536 4.233 1.00 3.62 N ATOM 1618 CA GLN B 31 -3.850 -2.714 5.005 1.00 4.28 C ATOM 1619 C GLN B 31 -4.596 -3.699 4.119 1.00 4.09 C ATOM 1620 O GLN B 31 -5.639 -3.365 3.554 1.00 3.68 O ATOM 1621 CB GLN B 31 -4.720 -2.324 6.201 1.00 4.83 C ATOM 1622 CG GLN B 31 -4.969 -3.466 7.174 1.00 5.54 C ATOM 1623 CD GLN B 31 -3.696 -3.950 7.833 1.00 6.28 C ATOM 1624 OE1 GLN B 31 -3.024 -4.852 7.333 1.00 6.66 O ATOM 1625 NE2 GLN B 31 -3.360 -3.352 8.962 1.00 6.72 N ATOM 0 H GLN B 31 -4.250 -1.129 3.696 1.00 3.62 H new ATOM 0 HA GLN B 31 -2.940 -3.183 5.378 1.00 4.28 H new ATOM 0 HB2 GLN B 31 -4.242 -1.502 6.734 1.00 4.83 H new ATOM 0 HB3 GLN B 31 -5.678 -1.953 5.837 1.00 4.83 H new ATOM 0 HG2 GLN B 31 -5.671 -3.139 7.941 1.00 5.54 H new ATOM 0 HG3 GLN B 31 -5.439 -4.295 6.645 1.00 5.54 H new ATOM 0 HE21 GLN B 31 -3.947 -2.609 9.340 1.00 6.72 H new ATOM 0 HE22 GLN B 31 -2.513 -3.634 9.456 1.00 6.72 H new ATOM 1634 N ALA B 32 -4.064 -4.903 3.998 1.00 4.50 N ATOM 1635 CA ALA B 32 -4.669 -5.913 3.148 1.00 4.62 C ATOM 1636 C ALA B 32 -4.341 -7.312 3.648 1.00 5.46 C ATOM 1637 O ALA B 32 -3.197 -7.602 3.995 1.00 5.75 O ATOM 1638 CB ALA B 32 -4.198 -5.742 1.710 1.00 4.15 C ATOM 0 H ALA B 32 -3.215 -5.204 4.477 1.00 4.50 H new ATOM 0 HA ALA B 32 -5.751 -5.785 3.183 1.00 4.62 H new ATOM 0 HB1 ALA B 32 -4.659 -6.505 1.083 1.00 4.15 H new ATOM 0 HB2 ALA B 32 -4.484 -4.754 1.348 1.00 4.15 H new ATOM 0 HB3 ALA B 32 -3.114 -5.844 1.668 1.00 4.15 H new ATOM 1644 N PRO B 33 -5.349 -8.197 3.707 1.00 5.89 N ATOM 1645 CA PRO B 33 -5.148 -9.592 4.099 1.00 6.71 C ATOM 1646 C PRO B 33 -4.257 -10.340 3.106 1.00 6.87 C ATOM 1647 O PRO B 33 -4.170 -9.966 1.930 1.00 6.45 O ATOM 1648 CB PRO B 33 -6.563 -10.180 4.110 1.00 6.98 C ATOM 1649 CG PRO B 33 -7.362 -9.272 3.247 1.00 6.45 C ATOM 1650 CD PRO B 33 -6.760 -7.905 3.408 1.00 5.63 C ATOM 0 HA PRO B 33 -4.642 -9.677 5.061 1.00 6.71 H new ATOM 0 HB2 PRO B 33 -6.570 -11.199 3.724 1.00 6.98 H new ATOM 0 HB3 PRO B 33 -6.966 -10.220 5.122 1.00 6.98 H new ATOM 0 HG2 PRO B 33 -7.327 -9.593 2.206 1.00 6.45 H new ATOM 0 HG3 PRO B 33 -8.410 -9.274 3.545 1.00 6.45 H new ATOM 0 HD2 PRO B 33 -6.865 -7.309 2.502 1.00 5.63 H new ATOM 0 HD3 PRO B 33 -7.236 -7.347 4.214 1.00 5.63 H new ATOM 1658 N PRO B 34 -3.580 -11.400 3.561 1.00 7.55 N ATOM 1659 CA PRO B 34 -2.647 -12.155 2.722 1.00 7.81 C ATOM 1660 C PRO B 34 -3.308 -12.728 1.471 1.00 8.02 C ATOM 1661 O PRO B 34 -4.301 -13.451 1.551 1.00 8.45 O ATOM 1662 CB PRO B 34 -2.161 -13.285 3.638 1.00 8.57 C ATOM 1663 CG PRO B 34 -3.155 -13.348 4.749 1.00 8.85 C ATOM 1664 CD PRO B 34 -3.667 -11.951 4.923 1.00 8.16 C ATOM 0 HA PRO B 34 -1.844 -11.519 2.348 1.00 7.81 H new ATOM 0 HB2 PRO B 34 -2.111 -14.232 3.101 1.00 8.57 H new ATOM 0 HB3 PRO B 34 -1.160 -13.080 4.017 1.00 8.57 H new ATOM 0 HG2 PRO B 34 -3.967 -14.034 4.508 1.00 8.85 H new ATOM 0 HG3 PRO B 34 -2.692 -13.711 5.667 1.00 8.85 H new ATOM 0 HD2 PRO B 34 -4.690 -11.939 5.300 1.00 8.16 H new ATOM 0 HD3 PRO B 34 -3.061 -11.383 5.629 1.00 8.16 H new ATOM 1672 N GLY B 35 -2.766 -12.369 0.315 1.00 7.75 N ATOM 1673 CA GLY B 35 -3.213 -12.960 -0.929 1.00 8.09 C ATOM 1674 C GLY B 35 -3.955 -11.988 -1.825 1.00 7.59 C ATOM 1675 O GLY B 35 -3.856 -12.068 -3.047 1.00 7.78 O ATOM 0 H GLY B 35 -2.023 -11.677 0.217 1.00 7.75 H new ATOM 0 HA2 GLY B 35 -2.350 -13.352 -1.467 1.00 8.09 H new ATOM 0 HA3 GLY B 35 -3.863 -13.807 -0.708 1.00 8.09 H new ATOM 1679 N VAL B 36 -4.667 -11.043 -1.223 1.00 7.00 N ATOM 1680 CA VAL B 36 -5.549 -10.151 -1.977 1.00 6.54 C ATOM 1681 C VAL B 36 -4.802 -8.943 -2.542 1.00 5.96 C ATOM 1682 O VAL B 36 -5.402 -8.075 -3.164 1.00 5.81 O ATOM 1683 CB VAL B 36 -6.719 -9.651 -1.103 1.00 6.15 C ATOM 1684 CG1 VAL B 36 -7.429 -10.823 -0.443 1.00 6.78 C ATOM 1685 CG2 VAL B 36 -6.234 -8.655 -0.061 1.00 5.59 C ATOM 0 H VAL B 36 -4.653 -10.872 -0.217 1.00 7.00 H new ATOM 0 HA VAL B 36 -5.938 -10.740 -2.808 1.00 6.54 H new ATOM 0 HB VAL B 36 -7.431 -9.138 -1.749 1.00 6.15 H new ATOM 0 HG11 VAL B 36 -8.251 -10.452 0.169 1.00 6.78 H new ATOM 0 HG12 VAL B 36 -7.821 -11.490 -1.211 1.00 6.78 H new ATOM 0 HG13 VAL B 36 -6.725 -11.368 0.186 1.00 6.78 H new ATOM 0 HG21 VAL B 36 -7.078 -8.318 0.541 1.00 5.59 H new ATOM 0 HG22 VAL B 36 -5.496 -9.133 0.583 1.00 5.59 H new ATOM 0 HG23 VAL B 36 -5.780 -7.799 -0.560 1.00 5.59 H new ATOM 1695 N MET B 37 -3.497 -8.894 -2.339 1.00 5.73 N ATOM 1696 CA MET B 37 -2.709 -7.740 -2.765 1.00 5.13 C ATOM 1697 C MET B 37 -2.122 -7.961 -4.159 1.00 5.49 C ATOM 1698 O MET B 37 -1.161 -7.302 -4.551 1.00 5.20 O ATOM 1699 CB MET B 37 -1.598 -7.445 -1.755 1.00 4.75 C ATOM 1700 CG MET B 37 -1.002 -6.044 -1.884 1.00 4.01 C ATOM 1701 SD MET B 37 -2.038 -4.752 -1.155 1.00 3.52 S ATOM 1702 CE MET B 37 -3.476 -4.753 -2.224 1.00 3.19 C ATOM 0 H MET B 37 -2.959 -9.632 -1.885 1.00 5.73 H new ATOM 0 HA MET B 37 -3.373 -6.877 -2.811 1.00 5.13 H new ATOM 0 HB2 MET B 37 -1.994 -7.570 -0.747 1.00 4.75 H new ATOM 0 HB3 MET B 37 -0.803 -8.180 -1.879 1.00 4.75 H new ATOM 0 HG2 MET B 37 -0.023 -6.028 -1.405 1.00 4.01 H new ATOM 0 HG3 MET B 37 -0.844 -5.820 -2.939 1.00 4.01 H new ATOM 0 HE1 MET B 37 -3.853 -3.736 -2.327 1.00 3.19 H new ATOM 0 HE2 MET B 37 -3.200 -5.139 -3.205 1.00 3.19 H new ATOM 0 HE3 MET B 37 -4.251 -5.385 -1.791 1.00 3.19 H new ATOM 1712 N THR B 38 -2.705 -8.898 -4.893 1.00 6.18 N ATOM 1713 CA THR B 38 -2.246 -9.233 -6.235 1.00 6.68 C ATOM 1714 C THR B 38 -2.164 -7.996 -7.139 1.00 6.35 C ATOM 1715 O THR B 38 -2.974 -7.071 -7.021 1.00 5.90 O ATOM 1716 CB THR B 38 -3.173 -10.285 -6.872 1.00 7.43 C ATOM 1717 OG1 THR B 38 -4.542 -9.910 -6.682 1.00 7.27 O ATOM 1718 CG2 THR B 38 -2.927 -11.659 -6.262 1.00 7.96 C ATOM 0 H THR B 38 -3.506 -9.446 -4.578 1.00 6.18 H new ATOM 0 HA THR B 38 -1.241 -9.644 -6.140 1.00 6.68 H new ATOM 0 HB THR B 38 -2.956 -10.333 -7.939 1.00 7.43 H new ATOM 0 HG1 THR B 38 -5.125 -10.583 -7.091 1.00 7.27 H new ATOM 0 HG21 THR B 38 -3.592 -12.387 -6.726 1.00 7.96 H new ATOM 0 HG22 THR B 38 -1.891 -11.953 -6.433 1.00 7.96 H new ATOM 0 HG23 THR B 38 -3.121 -11.621 -5.190 1.00 7.96 H new ATOM 1726 N PRO B 39 -1.171 -7.975 -8.050 1.00 6.65 N ATOM 1727 CA PRO B 39 -0.924 -6.839 -8.951 1.00 6.53 C ATOM 1728 C PRO B 39 -2.180 -6.343 -9.666 1.00 6.66 C ATOM 1729 O PRO B 39 -2.371 -5.137 -9.828 1.00 6.35 O ATOM 1730 CB PRO B 39 0.072 -7.404 -9.964 1.00 7.19 C ATOM 1731 CG PRO B 39 0.800 -8.468 -9.223 1.00 7.30 C ATOM 1732 CD PRO B 39 -0.191 -9.058 -8.256 1.00 7.21 C ATOM 0 HA PRO B 39 -0.564 -5.970 -8.400 1.00 6.53 H new ATOM 0 HB2 PRO B 39 -0.438 -7.808 -10.838 1.00 7.19 H new ATOM 0 HB3 PRO B 39 0.754 -6.633 -10.322 1.00 7.19 H new ATOM 0 HG2 PRO B 39 1.178 -9.229 -9.906 1.00 7.30 H new ATOM 0 HG3 PRO B 39 1.661 -8.056 -8.696 1.00 7.30 H new ATOM 0 HD2 PRO B 39 -0.663 -9.952 -8.663 1.00 7.21 H new ATOM 0 HD3 PRO B 39 0.287 -9.348 -7.320 1.00 7.21 H new ATOM 1740 N GLU B 40 -3.036 -7.269 -10.090 1.00 7.16 N ATOM 1741 CA GLU B 40 -4.252 -6.894 -10.799 1.00 7.32 C ATOM 1742 C GLU B 40 -5.187 -6.118 -9.884 1.00 6.59 C ATOM 1743 O GLU B 40 -5.844 -5.172 -10.316 1.00 6.46 O ATOM 1744 CB GLU B 40 -4.982 -8.117 -11.358 1.00 7.95 C ATOM 1745 CG GLU B 40 -6.145 -7.746 -12.265 1.00 8.17 C ATOM 1746 CD GLU B 40 -6.989 -8.935 -12.662 1.00 8.67 C ATOM 1747 OE1 GLU B 40 -6.480 -9.815 -13.383 1.00 8.70 O ATOM 1748 OE2 GLU B 40 -8.174 -8.982 -12.263 1.00 9.22 O ATOM 0 H GLU B 40 -2.911 -8.272 -9.956 1.00 7.16 H new ATOM 0 HA GLU B 40 -3.955 -6.262 -11.635 1.00 7.32 H new ATOM 0 HB2 GLU B 40 -4.276 -8.733 -11.914 1.00 7.95 H new ATOM 0 HB3 GLU B 40 -5.351 -8.723 -10.531 1.00 7.95 H new ATOM 0 HG2 GLU B 40 -6.774 -7.014 -11.758 1.00 8.17 H new ATOM 0 HG3 GLU B 40 -5.758 -7.266 -13.164 1.00 8.17 H new ATOM 1755 N LEU B 41 -5.230 -6.499 -8.612 1.00 6.17 N ATOM 1756 CA LEU B 41 -6.112 -5.844 -7.659 1.00 5.47 C ATOM 1757 C LEU B 41 -5.642 -4.419 -7.407 1.00 4.86 C ATOM 1758 O LEU B 41 -6.454 -3.516 -7.214 1.00 4.46 O ATOM 1759 CB LEU B 41 -6.189 -6.631 -6.348 1.00 5.29 C ATOM 1760 CG LEU B 41 -7.236 -6.123 -5.349 1.00 4.67 C ATOM 1761 CD1 LEU B 41 -7.982 -7.288 -4.723 1.00 5.06 C ATOM 1762 CD2 LEU B 41 -6.580 -5.277 -4.266 1.00 4.24 C ATOM 0 H LEU B 41 -4.667 -7.254 -8.221 1.00 6.17 H new ATOM 0 HA LEU B 41 -7.115 -5.812 -8.084 1.00 5.47 H new ATOM 0 HB2 LEU B 41 -6.405 -7.674 -6.580 1.00 5.29 H new ATOM 0 HB3 LEU B 41 -5.210 -6.607 -5.869 1.00 5.29 H new ATOM 0 HG LEU B 41 -7.949 -5.501 -5.890 1.00 4.67 H new ATOM 0 HD11 LEU B 41 -8.721 -6.910 -4.017 1.00 5.06 H new ATOM 0 HD12 LEU B 41 -8.485 -7.859 -5.503 1.00 5.06 H new ATOM 0 HD13 LEU B 41 -7.276 -7.933 -4.199 1.00 5.06 H new ATOM 0 HD21 LEU B 41 -7.340 -4.927 -3.568 1.00 4.24 H new ATOM 0 HD22 LEU B 41 -5.845 -5.878 -3.731 1.00 4.24 H new ATOM 0 HD23 LEU B 41 -6.085 -4.420 -4.723 1.00 4.24 H new ATOM 1774 N GLN B 42 -4.330 -4.215 -7.434 1.00 4.84 N ATOM 1775 CA GLN B 42 -3.768 -2.875 -7.335 1.00 4.35 C ATOM 1776 C GLN B 42 -4.213 -2.033 -8.528 1.00 4.69 C ATOM 1777 O GLN B 42 -4.515 -0.849 -8.390 1.00 4.37 O ATOM 1778 CB GLN B 42 -2.239 -2.940 -7.261 1.00 4.43 C ATOM 1779 CG GLN B 42 -1.555 -1.577 -7.267 1.00 4.02 C ATOM 1780 CD GLN B 42 -1.940 -0.701 -6.085 1.00 3.27 C ATOM 1781 OE1 GLN B 42 -2.257 -1.314 -4.956 1.00 3.29 O flip ATOM 1782 NE2 GLN B 42 -1.936 0.525 -6.182 1.00 3.09 N flip ATOM 0 H GLN B 42 -3.638 -4.959 -7.523 1.00 4.84 H new ATOM 0 HA GLN B 42 -4.134 -2.406 -6.421 1.00 4.35 H new ATOM 0 HB2 GLN B 42 -1.953 -3.474 -6.355 1.00 4.43 H new ATOM 0 HB3 GLN B 42 -1.870 -3.523 -8.105 1.00 4.43 H new ATOM 0 HG2 GLN B 42 -0.475 -1.721 -7.266 1.00 4.02 H new ATOM 0 HG3 GLN B 42 -1.806 -1.057 -8.192 1.00 4.02 H new ATOM 0 HE21 GLN B 42 -1.687 0.966 -7.067 1.00 3.09 H new ATOM 0 HE22 GLN B 42 -2.182 1.101 -5.377 1.00 3.09 H new ATOM 1791 N SER B 43 -4.281 -2.664 -9.692 1.00 5.44 N ATOM 1792 CA SER B 43 -4.757 -2.003 -10.897 1.00 5.93 C ATOM 1793 C SER B 43 -6.254 -1.710 -10.782 1.00 5.79 C ATOM 1794 O SER B 43 -6.736 -0.691 -11.280 1.00 5.94 O ATOM 1795 CB SER B 43 -4.464 -2.871 -12.122 1.00 6.77 C ATOM 1796 OG SER B 43 -4.821 -2.211 -13.324 1.00 7.35 O ATOM 0 H SER B 43 -4.011 -3.638 -9.826 1.00 5.44 H new ATOM 0 HA SER B 43 -4.232 -1.055 -11.014 1.00 5.93 H new ATOM 0 HB2 SER B 43 -3.404 -3.123 -12.145 1.00 6.77 H new ATOM 0 HB3 SER B 43 -5.013 -3.809 -12.044 1.00 6.77 H new ATOM 0 HG SER B 43 -4.620 -2.791 -14.088 1.00 7.35 H new ATOM 1802 N ARG B 44 -6.977 -2.605 -10.109 1.00 5.57 N ATOM 1803 CA ARG B 44 -8.400 -2.409 -9.854 1.00 5.41 C ATOM 1804 C ARG B 44 -8.606 -1.185 -8.968 1.00 4.69 C ATOM 1805 O ARG B 44 -9.492 -0.367 -9.217 1.00 4.71 O ATOM 1806 CB ARG B 44 -9.011 -3.641 -9.175 1.00 5.44 C ATOM 1807 CG ARG B 44 -8.846 -4.937 -9.954 1.00 6.25 C ATOM 1808 CD ARG B 44 -9.440 -4.839 -11.348 1.00 6.38 C ATOM 1809 NE ARG B 44 -9.371 -6.115 -12.061 1.00 7.03 N ATOM 1810 CZ ARG B 44 -10.069 -6.389 -13.158 1.00 7.53 C ATOM 1811 NH1 ARG B 44 -10.814 -5.447 -13.726 1.00 7.50 N ATOM 1812 NH2 ARG B 44 -9.986 -7.597 -13.702 1.00 8.28 N ATOM 0 H ARG B 44 -6.598 -3.473 -9.731 1.00 5.57 H new ATOM 0 HA ARG B 44 -8.898 -2.257 -10.811 1.00 5.41 H new ATOM 0 HB2 ARG B 44 -8.555 -3.762 -8.192 1.00 5.44 H new ATOM 0 HB3 ARG B 44 -10.074 -3.462 -9.014 1.00 5.44 H new ATOM 0 HG2 ARG B 44 -7.787 -5.184 -10.027 1.00 6.25 H new ATOM 0 HG3 ARG B 44 -9.327 -5.751 -9.411 1.00 6.25 H new ATOM 0 HD2 ARG B 44 -10.479 -4.518 -11.278 1.00 6.38 H new ATOM 0 HD3 ARG B 44 -8.908 -4.076 -11.917 1.00 6.38 H new ATOM 0 HE ARG B 44 -8.750 -6.837 -11.694 1.00 7.03 H new ATOM 0 HH11 ARG B 44 -10.851 -4.512 -13.320 1.00 7.50 H new ATOM 0 HH12 ARG B 44 -11.349 -5.659 -14.568 1.00 7.50 H new ATOM 0 HH21 ARG B 44 -9.389 -8.307 -13.278 1.00 8.28 H new ATOM 0 HH22 ARG B 44 -10.519 -7.815 -14.544 1.00 8.28 H new ATOM 1826 N LEU B 45 -7.775 -1.066 -7.936 1.00 4.13 N ATOM 1827 CA LEU B 45 -7.815 0.091 -7.051 1.00 3.49 C ATOM 1828 C LEU B 45 -7.404 1.344 -7.815 1.00 3.91 C ATOM 1829 O LEU B 45 -8.007 2.408 -7.671 1.00 3.85 O ATOM 1830 CB LEU B 45 -6.875 -0.121 -5.861 1.00 2.89 C ATOM 1831 CG LEU B 45 -7.145 -1.368 -5.017 1.00 2.68 C ATOM 1832 CD1 LEU B 45 -6.044 -1.554 -3.986 1.00 2.32 C ATOM 1833 CD2 LEU B 45 -8.503 -1.275 -4.335 1.00 2.32 C ATOM 0 H LEU B 45 -7.066 -1.758 -7.693 1.00 4.13 H new ATOM 0 HA LEU B 45 -8.833 0.214 -6.681 1.00 3.49 H new ATOM 0 HB2 LEU B 45 -5.852 -0.172 -6.234 1.00 2.89 H new ATOM 0 HB3 LEU B 45 -6.935 0.754 -5.213 1.00 2.89 H new ATOM 0 HG LEU B 45 -7.155 -2.235 -5.678 1.00 2.68 H new ATOM 0 HD11 LEU B 45 -6.248 -2.445 -3.392 1.00 2.32 H new ATOM 0 HD12 LEU B 45 -5.086 -1.668 -4.493 1.00 2.32 H new ATOM 0 HD13 LEU B 45 -6.007 -0.683 -3.332 1.00 2.32 H new ATOM 0 HD21 LEU B 45 -8.674 -2.172 -3.740 1.00 2.32 H new ATOM 0 HD22 LEU B 45 -8.525 -0.400 -3.686 1.00 2.32 H new ATOM 0 HD23 LEU B 45 -9.284 -1.186 -5.090 1.00 2.32 H new ATOM 1845 N GLY B 46 -6.349 1.210 -8.611 1.00 4.49 N ATOM 1846 CA GLY B 46 -5.922 2.285 -9.484 1.00 5.11 C ATOM 1847 C GLY B 46 -5.027 3.279 -8.779 1.00 4.95 C ATOM 1848 O GLY B 46 -4.247 3.991 -9.416 1.00 5.58 O ATOM 0 H GLY B 46 -5.778 0.367 -8.666 1.00 4.49 H new ATOM 0 HA2 GLY B 46 -5.392 1.866 -10.339 1.00 5.11 H new ATOM 0 HA3 GLY B 46 -6.798 2.802 -9.874 1.00 5.11 H new ATOM 1852 N GLY B 47 -5.127 3.314 -7.457 1.00 4.20 N ATOM 1853 CA GLY B 47 -4.403 4.298 -6.684 1.00 4.08 C ATOM 1854 C GLY B 47 -4.997 5.680 -6.853 1.00 4.27 C ATOM 1855 O GLY B 47 -4.334 6.687 -6.594 1.00 4.50 O ATOM 0 H GLY B 47 -5.700 2.675 -6.906 1.00 4.20 H new ATOM 0 HA2 GLY B 47 -4.420 4.019 -5.630 1.00 4.08 H new ATOM 0 HA3 GLY B 47 -3.358 4.309 -6.994 1.00 4.08 H new ATOM 1859 N ALA B 48 -6.247 5.721 -7.299 1.00 4.37 N ATOM 1860 CA ALA B 48 -6.929 6.977 -7.552 1.00 4.85 C ATOM 1861 C ALA B 48 -7.383 7.615 -6.247 1.00 4.49 C ATOM 1862 O ALA B 48 -7.721 6.921 -5.291 1.00 3.88 O ATOM 1863 CB ALA B 48 -8.117 6.746 -8.473 1.00 5.41 C ATOM 0 H ALA B 48 -6.809 4.892 -7.493 1.00 4.37 H new ATOM 0 HA ALA B 48 -6.233 7.660 -8.039 1.00 4.85 H new ATOM 0 HB1 ALA B 48 -8.624 7.693 -8.658 1.00 5.41 H new ATOM 0 HB2 ALA B 48 -7.769 6.330 -9.418 1.00 5.41 H new ATOM 0 HB3 ALA B 48 -8.811 6.049 -8.004 1.00 5.41 H new ATOM 1869 N ARG B 49 -7.429 8.937 -6.228 1.00 5.02 N ATOM 1870 CA ARG B 49 -7.723 9.675 -5.007 1.00 4.98 C ATOM 1871 C ARG B 49 -9.177 9.492 -4.571 1.00 5.00 C ATOM 1872 O ARG B 49 -9.440 9.145 -3.424 1.00 4.59 O ATOM 1873 CB ARG B 49 -7.366 11.155 -5.175 1.00 5.73 C ATOM 1874 CG ARG B 49 -7.895 11.785 -6.454 1.00 6.40 C ATOM 1875 CD ARG B 49 -6.896 12.774 -7.033 1.00 6.81 C ATOM 1876 NE ARG B 49 -5.637 12.117 -7.394 1.00 7.23 N ATOM 1877 CZ ARG B 49 -4.435 12.548 -7.019 1.00 7.61 C ATOM 1878 NH1 ARG B 49 -4.311 13.698 -6.369 1.00 7.61 N ATOM 1879 NH2 ARG B 49 -3.353 11.841 -7.320 1.00 8.22 N ATOM 0 H ARG B 49 -7.266 9.524 -7.046 1.00 5.02 H new ATOM 0 HA ARG B 49 -7.102 9.266 -4.210 1.00 4.98 H new ATOM 0 HB2 ARG B 49 -7.756 11.710 -4.322 1.00 5.73 H new ATOM 0 HB3 ARG B 49 -6.281 11.260 -5.154 1.00 5.73 H new ATOM 0 HG2 ARG B 49 -8.106 11.006 -7.186 1.00 6.40 H new ATOM 0 HG3 ARG B 49 -8.837 12.293 -6.250 1.00 6.40 H new ATOM 0 HD2 ARG B 49 -7.324 13.251 -7.914 1.00 6.81 H new ATOM 0 HD3 ARG B 49 -6.701 13.563 -6.307 1.00 6.81 H new ATOM 0 HE ARG B 49 -5.685 11.276 -7.969 1.00 7.23 H new ATOM 0 HH11 ARG B 49 -5.138 14.255 -6.155 1.00 7.61 H new ATOM 0 HH12 ARG B 49 -3.388 14.025 -6.083 1.00 7.61 H new ATOM 0 HH21 ARG B 49 -3.443 10.967 -7.839 1.00 8.22 H new ATOM 0 HH22 ARG B 49 -2.432 12.171 -7.033 1.00 8.22 H new ATOM 1893 N HIS B 50 -10.117 9.696 -5.489 1.00 5.53 N ATOM 1894 CA HIS B 50 -11.538 9.534 -5.169 1.00 5.65 C ATOM 1895 C HIS B 50 -11.870 8.085 -4.818 1.00 4.90 C ATOM 1896 O HIS B 50 -12.767 7.821 -4.017 1.00 4.73 O ATOM 1897 CB HIS B 50 -12.439 10.027 -6.315 1.00 6.40 C ATOM 1898 CG HIS B 50 -12.114 9.459 -7.668 1.00 6.57 C ATOM 1899 ND1 HIS B 50 -12.523 8.212 -8.094 1.00 6.34 N ATOM 1900 CD2 HIS B 50 -11.424 9.995 -8.703 1.00 7.07 C ATOM 1901 CE1 HIS B 50 -12.099 8.012 -9.327 1.00 6.75 C ATOM 1902 NE2 HIS B 50 -11.428 9.075 -9.719 1.00 7.16 N ATOM 0 H HIS B 50 -9.927 9.971 -6.453 1.00 5.53 H new ATOM 0 HA HIS B 50 -11.737 10.152 -4.294 1.00 5.65 H new ATOM 0 HB2 HIS B 50 -13.474 9.783 -6.074 1.00 6.40 H new ATOM 0 HB3 HIS B 50 -12.372 11.114 -6.368 1.00 6.40 H new ATOM 0 HD1 HIS B 50 -13.068 7.549 -7.542 1.00 6.34 H new ATOM 0 HD2 HIS B 50 -10.957 10.968 -8.724 1.00 7.07 H new ATOM 0 HE1 HIS B 50 -12.273 7.124 -9.917 1.00 6.75 H new ATOM 1911 N GLU B 51 -11.132 7.154 -5.413 1.00 4.52 N ATOM 1912 CA GLU B 51 -11.360 5.735 -5.173 1.00 3.87 C ATOM 1913 C GLU B 51 -10.953 5.354 -3.758 1.00 3.13 C ATOM 1914 O GLU B 51 -11.684 4.660 -3.059 1.00 2.72 O ATOM 1915 CB GLU B 51 -10.583 4.888 -6.178 1.00 3.90 C ATOM 1916 CG GLU B 51 -11.473 4.059 -7.087 1.00 4.40 C ATOM 1917 CD GLU B 51 -12.296 4.910 -8.031 1.00 5.21 C ATOM 1918 OE1 GLU B 51 -13.218 5.612 -7.564 1.00 5.60 O ATOM 1919 OE2 GLU B 51 -12.021 4.883 -9.250 1.00 5.72 O ATOM 0 H GLU B 51 -10.373 7.356 -6.063 1.00 4.52 H new ATOM 0 HA GLU B 51 -12.426 5.542 -5.296 1.00 3.87 H new ATOM 0 HB2 GLU B 51 -9.962 5.543 -6.789 1.00 3.90 H new ATOM 0 HB3 GLU B 51 -9.910 4.223 -5.637 1.00 3.90 H new ATOM 0 HG2 GLU B 51 -10.855 3.373 -7.667 1.00 4.40 H new ATOM 0 HG3 GLU B 51 -12.140 3.449 -6.478 1.00 4.40 H new ATOM 1926 N LEU B 52 -9.789 5.826 -3.335 1.00 3.04 N ATOM 1927 CA LEU B 52 -9.271 5.498 -2.014 1.00 2.56 C ATOM 1928 C LEU B 52 -10.132 6.123 -0.921 1.00 3.06 C ATOM 1929 O LEU B 52 -10.224 5.595 0.186 1.00 2.94 O ATOM 1930 CB LEU B 52 -7.816 5.951 -1.872 1.00 2.52 C ATOM 1931 CG LEU B 52 -6.851 5.356 -2.903 1.00 2.10 C ATOM 1932 CD1 LEU B 52 -5.421 5.772 -2.597 1.00 2.00 C ATOM 1933 CD2 LEU B 52 -6.969 3.840 -2.942 1.00 1.52 C ATOM 0 H LEU B 52 -9.186 6.437 -3.886 1.00 3.04 H new ATOM 0 HA LEU B 52 -9.307 4.415 -1.900 1.00 2.56 H new ATOM 0 HB2 LEU B 52 -7.780 7.038 -1.947 1.00 2.52 H new ATOM 0 HB3 LEU B 52 -7.465 5.689 -0.874 1.00 2.52 H new ATOM 0 HG LEU B 52 -7.121 5.744 -3.885 1.00 2.10 H new ATOM 0 HD11 LEU B 52 -4.750 5.340 -3.339 1.00 2.00 H new ATOM 0 HD12 LEU B 52 -5.344 6.859 -2.627 1.00 2.00 H new ATOM 0 HD13 LEU B 52 -5.143 5.415 -1.605 1.00 2.00 H new ATOM 0 HD21 LEU B 52 -6.275 3.440 -3.681 1.00 1.52 H new ATOM 0 HD22 LEU B 52 -6.730 3.431 -1.960 1.00 1.52 H new ATOM 0 HD23 LEU B 52 -7.987 3.561 -3.213 1.00 1.52 H new ATOM 1945 N ILE B 53 -10.772 7.242 -1.240 1.00 3.78 N ATOM 1946 CA ILE B 53 -11.709 7.870 -0.314 1.00 4.35 C ATOM 1947 C ILE B 53 -12.891 6.939 -0.055 1.00 4.05 C ATOM 1948 O ILE B 53 -13.263 6.687 1.091 1.00 4.19 O ATOM 1949 CB ILE B 53 -12.227 9.223 -0.853 1.00 5.19 C ATOM 1950 CG1 ILE B 53 -11.065 10.202 -1.040 1.00 5.56 C ATOM 1951 CG2 ILE B 53 -13.271 9.813 0.089 1.00 5.75 C ATOM 1952 CD1 ILE B 53 -11.463 11.498 -1.713 1.00 6.40 C ATOM 0 H ILE B 53 -10.661 7.732 -2.128 1.00 3.78 H new ATOM 0 HA ILE B 53 -11.174 8.059 0.617 1.00 4.35 H new ATOM 0 HB ILE B 53 -12.697 9.050 -1.821 1.00 5.19 H new ATOM 0 HG12 ILE B 53 -10.631 10.427 -0.066 1.00 5.56 H new ATOM 0 HG13 ILE B 53 -10.287 9.720 -1.632 1.00 5.56 H new ATOM 0 HG21 ILE B 53 -13.623 10.765 -0.308 1.00 5.75 H new ATOM 0 HG22 ILE B 53 -14.111 9.124 0.178 1.00 5.75 H new ATOM 0 HG23 ILE B 53 -12.826 9.972 1.071 1.00 5.75 H new ATOM 0 HD11 ILE B 53 -10.588 12.141 -1.811 1.00 6.40 H new ATOM 0 HD12 ILE B 53 -11.869 11.285 -2.702 1.00 6.40 H new ATOM 0 HD13 ILE B 53 -12.219 12.003 -1.111 1.00 6.40 H new ATOM 1964 N ALA B 54 -13.465 6.412 -1.128 1.00 3.73 N ATOM 1965 CA ALA B 54 -14.576 5.478 -1.017 1.00 3.39 C ATOM 1966 C ALA B 54 -14.111 4.153 -0.411 1.00 2.66 C ATOM 1967 O ALA B 54 -14.833 3.516 0.361 1.00 2.59 O ATOM 1968 CB ALA B 54 -15.203 5.263 -2.378 1.00 3.40 C ATOM 0 H ALA B 54 -13.179 6.616 -2.086 1.00 3.73 H new ATOM 0 HA ALA B 54 -15.328 5.900 -0.350 1.00 3.39 H new ATOM 0 HB1 ALA B 54 -16.034 4.563 -2.289 1.00 3.40 H new ATOM 0 HB2 ALA B 54 -15.569 6.214 -2.764 1.00 3.40 H new ATOM 0 HB3 ALA B 54 -14.458 4.857 -3.062 1.00 3.40 H new ATOM 1974 N LEU B 55 -12.894 3.759 -0.764 1.00 2.23 N ATOM 1975 CA LEU B 55 -12.251 2.585 -0.188 1.00 1.71 C ATOM 1976 C LEU B 55 -12.208 2.725 1.335 1.00 2.33 C ATOM 1977 O LEU B 55 -12.446 1.769 2.075 1.00 2.46 O ATOM 1978 CB LEU B 55 -10.835 2.451 -0.776 1.00 1.30 C ATOM 1979 CG LEU B 55 -10.145 1.085 -0.636 1.00 1.02 C ATOM 1980 CD1 LEU B 55 -9.767 0.801 0.807 1.00 1.74 C ATOM 1981 CD2 LEU B 55 -11.034 -0.020 -1.188 1.00 1.20 C ATOM 0 H LEU B 55 -12.325 4.244 -1.458 1.00 2.23 H new ATOM 0 HA LEU B 55 -12.815 1.684 -0.431 1.00 1.71 H new ATOM 0 HB2 LEU B 55 -10.884 2.698 -1.837 1.00 1.30 H new ATOM 0 HB3 LEU B 55 -10.200 3.201 -0.303 1.00 1.30 H new ATOM 0 HG LEU B 55 -9.224 1.113 -1.219 1.00 1.02 H new ATOM 0 HD11 LEU B 55 -9.281 -0.173 0.871 1.00 1.74 H new ATOM 0 HD12 LEU B 55 -9.083 1.572 1.162 1.00 1.74 H new ATOM 0 HD13 LEU B 55 -10.665 0.800 1.425 1.00 1.74 H new ATOM 0 HD21 LEU B 55 -10.530 -0.980 -1.081 1.00 1.20 H new ATOM 0 HD22 LEU B 55 -11.974 -0.040 -0.637 1.00 1.20 H new ATOM 0 HD23 LEU B 55 -11.236 0.168 -2.243 1.00 1.20 H new ATOM 1993 N LEU B 56 -11.929 3.940 1.791 1.00 2.95 N ATOM 1994 CA LEU B 56 -11.879 4.237 3.212 1.00 3.69 C ATOM 1995 C LEU B 56 -13.296 4.301 3.790 1.00 4.03 C ATOM 1996 O LEU B 56 -13.506 4.021 4.969 1.00 4.45 O ATOM 1997 CB LEU B 56 -11.134 5.562 3.438 1.00 4.26 C ATOM 1998 CG LEU B 56 -10.418 5.718 4.789 1.00 5.04 C ATOM 1999 CD1 LEU B 56 -11.388 6.125 5.887 1.00 5.31 C ATOM 2000 CD2 LEU B 56 -9.704 4.426 5.164 1.00 5.56 C ATOM 0 H LEU B 56 -11.733 4.740 1.189 1.00 2.95 H new ATOM 0 HA LEU B 56 -11.340 3.442 3.728 1.00 3.69 H new ATOM 0 HB2 LEU B 56 -10.396 5.680 2.644 1.00 4.26 H new ATOM 0 HB3 LEU B 56 -11.848 6.379 3.333 1.00 4.26 H new ATOM 0 HG LEU B 56 -9.679 6.512 4.685 1.00 5.04 H new ATOM 0 HD11 LEU B 56 -10.849 6.227 6.829 1.00 5.31 H new ATOM 0 HD12 LEU B 56 -11.851 7.078 5.629 1.00 5.31 H new ATOM 0 HD13 LEU B 56 -12.160 5.363 5.991 1.00 5.31 H new ATOM 0 HD21 LEU B 56 -9.202 4.553 6.123 1.00 5.56 H new ATOM 0 HD22 LEU B 56 -10.431 3.617 5.239 1.00 5.56 H new ATOM 0 HD23 LEU B 56 -8.967 4.182 4.398 1.00 5.56 H new ATOM 2012 N ARG B 57 -14.268 4.654 2.946 1.00 3.93 N ATOM 2013 CA ARG B 57 -15.673 4.710 3.363 1.00 4.27 C ATOM 2014 C ARG B 57 -16.175 3.335 3.787 1.00 3.92 C ATOM 2015 O ARG B 57 -17.114 3.230 4.574 1.00 4.30 O ATOM 2016 CB ARG B 57 -16.562 5.249 2.241 1.00 4.32 C ATOM 2017 CG ARG B 57 -16.352 6.720 1.939 1.00 4.80 C ATOM 2018 CD ARG B 57 -17.235 7.175 0.791 1.00 5.19 C ATOM 2019 NE ARG B 57 -17.075 8.598 0.510 1.00 5.85 N ATOM 2020 CZ ARG B 57 -17.087 9.123 -0.711 1.00 6.39 C ATOM 2021 NH1 ARG B 57 -17.224 8.340 -1.774 1.00 6.40 N ATOM 2022 NH2 ARG B 57 -16.953 10.435 -0.871 1.00 7.19 N ATOM 0 H ARG B 57 -14.109 4.905 1.970 1.00 3.93 H new ATOM 0 HA ARG B 57 -15.728 5.388 4.215 1.00 4.27 H new ATOM 0 HB2 ARG B 57 -16.375 4.673 1.335 1.00 4.32 H new ATOM 0 HB3 ARG B 57 -17.606 5.090 2.511 1.00 4.32 H new ATOM 0 HG2 ARG B 57 -16.572 7.312 2.828 1.00 4.80 H new ATOM 0 HG3 ARG B 57 -15.306 6.897 1.689 1.00 4.80 H new ATOM 0 HD2 ARG B 57 -16.993 6.599 -0.103 1.00 5.19 H new ATOM 0 HD3 ARG B 57 -18.278 6.968 1.031 1.00 5.19 H new ATOM 0 HE ARG B 57 -16.946 9.230 1.300 1.00 5.85 H new ATOM 0 HH11 ARG B 57 -17.321 7.332 -1.656 1.00 6.40 H new ATOM 0 HH12 ARG B 57 -17.233 8.747 -2.709 1.00 6.40 H new ATOM 0 HH21 ARG B 57 -16.841 11.039 -0.057 1.00 7.19 H new ATOM 0 HH22 ARG B 57 -16.962 10.838 -1.808 1.00 7.19 H new ATOM 2036 N GLN B 58 -15.558 2.290 3.242 1.00 3.27 N ATOM 2037 CA GLN B 58 -15.859 0.918 3.652 1.00 3.16 C ATOM 2038 C GLN B 58 -15.636 0.737 5.152 1.00 3.92 C ATOM 2039 O GLN B 58 -16.400 0.057 5.835 1.00 4.23 O ATOM 2040 CB GLN B 58 -14.966 -0.072 2.901 1.00 2.58 C ATOM 2041 CG GLN B 58 -15.096 -0.012 1.390 1.00 2.73 C ATOM 2042 CD GLN B 58 -14.122 -0.944 0.693 1.00 2.46 C ATOM 2043 OE1 GLN B 58 -14.404 -1.462 -0.384 1.00 2.60 O ATOM 2044 NE2 GLN B 58 -12.967 -1.160 1.302 1.00 2.44 N ATOM 0 H GLN B 58 -14.846 2.365 2.515 1.00 3.27 H new ATOM 0 HA GLN B 58 -16.906 0.725 3.416 1.00 3.16 H new ATOM 0 HB2 GLN B 58 -13.927 0.117 3.172 1.00 2.58 H new ATOM 0 HB3 GLN B 58 -15.204 -1.082 3.234 1.00 2.58 H new ATOM 0 HG2 GLN B 58 -16.115 -0.274 1.104 1.00 2.73 H new ATOM 0 HG3 GLN B 58 -14.923 1.010 1.053 1.00 2.73 H new ATOM 0 HE21 GLN B 58 -12.770 -0.711 2.196 1.00 2.44 H new ATOM 0 HE22 GLN B 58 -12.274 -1.776 0.877 1.00 2.44 H new ATOM 2053 N LEU B 59 -14.572 1.353 5.649 1.00 4.30 N ATOM 2054 CA LEU B 59 -14.179 1.218 7.046 1.00 5.09 C ATOM 2055 C LEU B 59 -14.808 2.327 7.883 1.00 5.75 C ATOM 2056 O LEU B 59 -15.116 2.137 9.062 1.00 6.46 O ATOM 2057 CB LEU B 59 -12.642 1.255 7.142 1.00 5.21 C ATOM 2058 CG LEU B 59 -12.024 1.024 8.534 1.00 4.98 C ATOM 2059 CD1 LEU B 59 -10.604 0.500 8.393 1.00 5.21 C ATOM 2060 CD2 LEU B 59 -12.007 2.313 9.350 1.00 5.36 C ATOM 0 H LEU B 59 -13.960 1.957 5.100 1.00 4.30 H new ATOM 0 HA LEU B 59 -14.535 0.265 7.438 1.00 5.09 H new ATOM 0 HB2 LEU B 59 -12.242 0.501 6.464 1.00 5.21 H new ATOM 0 HB3 LEU B 59 -12.303 2.224 6.777 1.00 5.21 H new ATOM 0 HG LEU B 59 -12.638 0.290 9.055 1.00 4.98 H new ATOM 0 HD11 LEU B 59 -10.175 0.340 9.382 1.00 5.21 H new ATOM 0 HD12 LEU B 59 -10.617 -0.443 7.846 1.00 5.21 H new ATOM 0 HD13 LEU B 59 -10.000 1.227 7.849 1.00 5.21 H new ATOM 0 HD21 LEU B 59 -11.565 2.119 10.327 1.00 5.36 H new ATOM 0 HD22 LEU B 59 -11.417 3.066 8.828 1.00 5.36 H new ATOM 0 HD23 LEU B 59 -13.027 2.676 9.478 1.00 5.36 H new