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 :FLIP no HD1:sc= -4.87! C(o=-6.5!,f=-4.9!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.189 F(o=-1.1,f=-0.19) USER MOD Single : A 37 MET CE :methyl -158:sc= -3.12! (180deg=-3.77!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.323 K(o=0.32,f=-0.34) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HE2:sc= -0.601 K(o=-0.6,f=-1.6) USER MOD Single : A 58 GLN : amide:sc= -1.13 K(o=-1.1,f=-3.4!) USER MOD Single : A 60 GLN : amide:sc= -0.0735 X(o=-0.074,f=-0.11) USER MOD Single : B 13 HIS :FLIP no HE2:sc= -4.25! C(o=-5.8!,f=-4.2!) USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 31 GLN :FLIP amide:sc= -0.108 F(o=-1.1,f=-0.11) USER MOD Single : B 37 MET CE :methyl -147:sc= -3.4! (180deg=-5.54!) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 GLN : amide:sc= 0.0544 K(o=0.054,f=-0.75) USER MOD Single : B 43 SER OG : rot 180:sc= 0 USER MOD Single : B 50 HIS : no HE2:sc= 0.747 K(o=0.75,f=-4.9!) USER MOD Single : B 58 GLN : amide:sc= -3.57! C(o=-3.6!,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 72 N ALA A 7 18.003 -2.868 9.885 1.00 2.47 N ATOM 73 CA ALA A 7 17.605 -2.082 8.725 1.00 2.28 C ATOM 74 C ALA A 7 17.927 -2.831 7.439 1.00 2.05 C ATOM 75 O ALA A 7 17.079 -2.957 6.551 1.00 1.85 O ATOM 76 CB ALA A 7 18.293 -0.725 8.740 1.00 2.50 C ATOM 0 HA ALA A 7 16.528 -1.921 8.769 1.00 2.28 H new ATOM 0 HB1 ALA A 7 17.984 -0.151 7.866 1.00 2.50 H new ATOM 0 HB2 ALA A 7 18.014 -0.186 9.645 1.00 2.50 H new ATOM 0 HB3 ALA A 7 19.374 -0.865 8.719 1.00 2.50 H new ATOM 82 N GLY A 8 19.153 -3.334 7.351 1.00 2.13 N ATOM 83 CA GLY A 8 19.562 -4.124 6.210 1.00 2.02 C ATOM 84 C GLY A 8 18.733 -5.380 6.066 1.00 1.90 C ATOM 85 O GLY A 8 18.407 -5.785 4.957 1.00 1.76 O ATOM 0 H GLY A 8 19.876 -3.205 8.059 1.00 2.13 H new ATOM 0 HA2 GLY A 8 19.474 -3.525 5.304 1.00 2.02 H new ATOM 0 HA3 GLY A 8 20.613 -4.393 6.313 1.00 2.02 H new ATOM 89 N ALA A 9 18.385 -5.991 7.193 1.00 2.01 N ATOM 90 CA ALA A 9 17.524 -7.166 7.195 1.00 1.97 C ATOM 91 C ALA A 9 16.173 -6.848 6.557 1.00 1.73 C ATOM 92 O ALA A 9 15.631 -7.648 5.792 1.00 1.64 O ATOM 93 CB ALA A 9 17.330 -7.684 8.612 1.00 2.19 C ATOM 0 H ALA A 9 18.688 -5.690 8.119 1.00 2.01 H new ATOM 0 HA ALA A 9 18.009 -7.943 6.604 1.00 1.97 H new ATOM 0 HB1 ALA A 9 16.684 -8.562 8.593 1.00 2.19 H new ATOM 0 HB2 ALA A 9 18.297 -7.954 9.036 1.00 2.19 H new ATOM 0 HB3 ALA A 9 16.870 -6.908 9.223 1.00 2.19 H new ATOM 99 N LEU A 10 15.633 -5.674 6.877 1.00 1.68 N ATOM 100 CA LEU A 10 14.379 -5.219 6.286 1.00 1.51 C ATOM 101 C LEU A 10 14.548 -5.019 4.788 1.00 1.33 C ATOM 102 O LEU A 10 13.743 -5.502 3.993 1.00 1.21 O ATOM 103 CB LEU A 10 13.915 -3.920 6.949 1.00 1.62 C ATOM 104 CG LEU A 10 12.770 -3.178 6.244 1.00 1.49 C ATOM 105 CD1 LEU A 10 11.494 -4.004 6.248 1.00 1.55 C ATOM 106 CD2 LEU A 10 12.527 -1.828 6.899 1.00 1.60 C ATOM 0 H LEU A 10 16.046 -5.021 7.543 1.00 1.68 H new ATOM 0 HA LEU A 10 13.618 -5.981 6.453 1.00 1.51 H new ATOM 0 HB2 LEU A 10 13.602 -4.147 7.968 1.00 1.62 H new ATOM 0 HB3 LEU A 10 14.769 -3.246 7.020 1.00 1.62 H new ATOM 0 HG LEU A 10 13.065 -3.017 5.207 1.00 1.49 H new ATOM 0 HD11 LEU A 10 10.702 -3.452 5.742 1.00 1.55 H new ATOM 0 HD12 LEU A 10 11.669 -4.946 5.729 1.00 1.55 H new ATOM 0 HD13 LEU A 10 11.195 -4.207 7.276 1.00 1.55 H new ATOM 0 HD21 LEU A 10 11.712 -1.316 6.386 1.00 1.60 H new ATOM 0 HD22 LEU A 10 12.262 -1.974 7.946 1.00 1.60 H new ATOM 0 HD23 LEU A 10 13.432 -1.224 6.835 1.00 1.60 H new ATOM 118 N LEU A 11 15.623 -4.340 4.423 1.00 1.38 N ATOM 119 CA LEU A 11 15.954 -4.091 3.030 1.00 1.31 C ATOM 120 C LEU A 11 16.088 -5.417 2.279 1.00 1.29 C ATOM 121 O LEU A 11 15.485 -5.612 1.223 1.00 1.22 O ATOM 122 CB LEU A 11 17.255 -3.270 2.983 1.00 1.44 C ATOM 123 CG LEU A 11 17.730 -2.781 1.609 1.00 1.48 C ATOM 124 CD1 LEU A 11 18.457 -3.886 0.864 1.00 1.71 C ATOM 125 CD2 LEU A 11 16.559 -2.254 0.791 1.00 1.43 C ATOM 0 H LEU A 11 16.291 -3.946 5.085 1.00 1.38 H new ATOM 0 HA LEU A 11 15.163 -3.524 2.539 1.00 1.31 H new ATOM 0 HB2 LEU A 11 17.127 -2.399 3.625 1.00 1.44 H new ATOM 0 HB3 LEU A 11 18.051 -3.874 3.420 1.00 1.44 H new ATOM 0 HG LEU A 11 18.432 -1.961 1.764 1.00 1.48 H new ATOM 0 HD11 LEU A 11 18.784 -3.516 -0.107 1.00 1.71 H new ATOM 0 HD12 LEU A 11 19.324 -4.205 1.442 1.00 1.71 H new ATOM 0 HD13 LEU A 11 17.785 -4.732 0.722 1.00 1.71 H new ATOM 0 HD21 LEU A 11 16.918 -1.912 -0.180 1.00 1.43 H new ATOM 0 HD22 LEU A 11 15.828 -3.050 0.648 1.00 1.43 H new ATOM 0 HD23 LEU A 11 16.092 -1.422 1.318 1.00 1.43 H new ATOM 137 N ALA A 12 16.852 -6.333 2.857 1.00 1.43 N ATOM 138 CA ALA A 12 17.121 -7.623 2.237 1.00 1.53 C ATOM 139 C ALA A 12 15.850 -8.449 2.046 1.00 1.49 C ATOM 140 O ALA A 12 15.585 -8.934 0.946 1.00 1.51 O ATOM 141 CB ALA A 12 18.132 -8.399 3.064 1.00 1.75 C ATOM 0 H ALA A 12 17.301 -6.204 3.764 1.00 1.43 H new ATOM 0 HA ALA A 12 17.533 -7.429 1.247 1.00 1.53 H new ATOM 0 HB1 ALA A 12 18.326 -9.362 2.592 1.00 1.75 H new ATOM 0 HB2 ALA A 12 19.061 -7.833 3.128 1.00 1.75 H new ATOM 0 HB3 ALA A 12 17.735 -8.560 4.066 1.00 1.75 H new ATOM 147 N HIS A 13 15.052 -8.598 3.102 1.00 1.46 N ATOM 148 CA HIS A 13 13.889 -9.472 3.031 1.00 1.48 C ATOM 149 C HIS A 13 12.789 -8.834 2.181 1.00 1.27 C ATOM 150 O HIS A 13 11.982 -9.535 1.574 1.00 1.32 O ATOM 151 CB HIS A 13 13.383 -9.860 4.435 1.00 1.57 C ATOM 152 CG HIS A 13 12.423 -8.903 5.073 1.00 1.44 C ATOM 153 ND1 HIS A 13 12.636 -7.806 5.825 1.00 1.26 N flip ATOM 154 CD2 HIS A 13 11.061 -9.057 5.011 1.00 1.78 C flip ATOM 155 CE1 HIS A 13 11.412 -7.318 6.203 1.00 1.21 C flip ATOM 156 NE2 HIS A 13 10.479 -8.093 5.689 1.00 1.66 N flip ATOM 0 H HIS A 13 15.187 -8.133 4.000 1.00 1.46 H new ATOM 0 HA HIS A 13 14.190 -10.399 2.543 1.00 1.48 H new ATOM 0 HB2 HIS A 13 12.903 -10.836 4.370 1.00 1.57 H new ATOM 0 HB3 HIS A 13 14.245 -9.972 5.093 1.00 1.57 H new ATOM 0 HD2 HIS A 13 10.546 -9.848 4.486 1.00 1.78 H new ATOM 0 HE1 HIS A 13 11.242 -6.446 6.818 1.00 1.21 H new ATOM 0 HE2 HIS A 13 9.473 -7.966 5.799 1.00 1.66 H new ATOM 165 N ALA A 14 12.764 -7.503 2.130 1.00 1.09 N ATOM 166 CA ALA A 14 11.809 -6.796 1.286 1.00 0.94 C ATOM 167 C ALA A 14 12.126 -7.030 -0.185 1.00 1.00 C ATOM 168 O ALA A 14 11.242 -7.362 -0.976 1.00 1.04 O ATOM 169 CB ALA A 14 11.812 -5.306 1.594 1.00 0.84 C ATOM 0 H ALA A 14 13.391 -6.898 2.660 1.00 1.09 H new ATOM 0 HA ALA A 14 10.814 -7.188 1.498 1.00 0.94 H new ATOM 0 HB1 ALA A 14 11.091 -4.800 0.951 1.00 0.84 H new ATOM 0 HB2 ALA A 14 11.540 -5.150 2.638 1.00 0.84 H new ATOM 0 HB3 ALA A 14 12.807 -4.899 1.414 1.00 0.84 H new ATOM 175 N ALA A 15 13.397 -6.872 -0.541 1.00 1.08 N ATOM 176 CA ALA A 15 13.849 -7.109 -1.907 1.00 1.19 C ATOM 177 C ALA A 15 13.706 -8.582 -2.274 1.00 1.37 C ATOM 178 O ALA A 15 13.457 -8.923 -3.430 1.00 1.46 O ATOM 179 CB ALA A 15 15.294 -6.659 -2.074 1.00 1.27 C ATOM 0 H ALA A 15 14.134 -6.580 0.100 1.00 1.08 H new ATOM 0 HA ALA A 15 13.222 -6.525 -2.581 1.00 1.19 H new ATOM 0 HB1 ALA A 15 15.616 -6.843 -3.099 1.00 1.27 H new ATOM 0 HB2 ALA A 15 15.371 -5.594 -1.855 1.00 1.27 H new ATOM 0 HB3 ALA A 15 15.931 -7.218 -1.388 1.00 1.27 H new ATOM 185 N SER A 16 13.862 -9.447 -1.279 1.00 1.47 N ATOM 186 CA SER A 16 13.716 -10.883 -1.471 1.00 1.68 C ATOM 187 C SER A 16 12.281 -11.234 -1.865 1.00 1.68 C ATOM 188 O SER A 16 12.055 -12.078 -2.735 1.00 1.89 O ATOM 189 CB SER A 16 14.117 -11.617 -0.188 1.00 1.83 C ATOM 190 OG SER A 16 14.107 -13.026 -0.363 1.00 2.28 O ATOM 0 H SER A 16 14.092 -9.175 -0.323 1.00 1.47 H new ATOM 0 HA SER A 16 14.373 -11.199 -2.282 1.00 1.68 H new ATOM 0 HB2 SER A 16 15.112 -11.296 0.119 1.00 1.83 H new ATOM 0 HB3 SER A 16 13.432 -11.345 0.616 1.00 1.83 H new ATOM 0 HG SER A 16 14.369 -13.462 0.475 1.00 2.28 H new ATOM 196 N LEU A 17 11.313 -10.585 -1.229 1.00 1.47 N ATOM 197 CA LEU A 17 9.913 -10.804 -1.567 1.00 1.48 C ATOM 198 C LEU A 17 9.543 -10.016 -2.812 1.00 1.43 C ATOM 199 O LEU A 17 8.638 -10.390 -3.554 1.00 1.55 O ATOM 200 CB LEU A 17 9.007 -10.378 -0.411 1.00 1.34 C ATOM 201 CG LEU A 17 9.203 -11.146 0.893 1.00 1.42 C ATOM 202 CD1 LEU A 17 8.299 -10.579 1.972 1.00 1.31 C ATOM 203 CD2 LEU A 17 8.925 -12.629 0.694 1.00 1.65 C ATOM 0 H LEU A 17 11.470 -9.908 -0.482 1.00 1.47 H new ATOM 0 HA LEU A 17 9.773 -11.868 -1.756 1.00 1.48 H new ATOM 0 HB2 LEU A 17 9.170 -9.318 -0.216 1.00 1.34 H new ATOM 0 HB3 LEU A 17 7.969 -10.489 -0.725 1.00 1.34 H new ATOM 0 HG LEU A 17 10.241 -11.034 1.207 1.00 1.42 H new ATOM 0 HD11 LEU A 17 8.446 -11.134 2.899 1.00 1.31 H new ATOM 0 HD12 LEU A 17 8.542 -9.529 2.135 1.00 1.31 H new ATOM 0 HD13 LEU A 17 7.259 -10.666 1.658 1.00 1.31 H new ATOM 0 HD21 LEU A 17 9.071 -13.156 1.637 1.00 1.65 H new ATOM 0 HD22 LEU A 17 7.897 -12.765 0.358 1.00 1.65 H new ATOM 0 HD23 LEU A 17 9.608 -13.030 -0.055 1.00 1.65 H new ATOM 215 N GLY A 18 10.268 -8.935 -3.048 1.00 1.28 N ATOM 216 CA GLY A 18 10.001 -8.096 -4.193 1.00 1.27 C ATOM 217 C GLY A 18 8.936 -7.063 -3.910 1.00 1.15 C ATOM 218 O GLY A 18 8.270 -6.589 -4.830 1.00 1.27 O ATOM 0 H GLY A 18 11.042 -8.623 -2.462 1.00 1.28 H new ATOM 0 HA2 GLY A 18 10.920 -7.594 -4.495 1.00 1.27 H new ATOM 0 HA3 GLY A 18 9.687 -8.718 -5.031 1.00 1.27 H new ATOM 222 N VAL A 19 8.764 -6.723 -2.637 1.00 0.99 N ATOM 223 CA VAL A 19 7.838 -5.668 -2.251 1.00 0.89 C ATOM 224 C VAL A 19 8.375 -4.327 -2.727 1.00 0.86 C ATOM 225 O VAL A 19 9.483 -3.945 -2.382 1.00 0.84 O ATOM 226 CB VAL A 19 7.623 -5.617 -0.719 1.00 0.76 C ATOM 227 CG1 VAL A 19 6.622 -4.537 -0.348 1.00 0.74 C ATOM 228 CG2 VAL A 19 7.163 -6.962 -0.179 1.00 0.87 C ATOM 0 H VAL A 19 9.253 -7.163 -1.857 1.00 0.99 H new ATOM 0 HA VAL A 19 6.876 -5.883 -2.717 1.00 0.89 H new ATOM 0 HB VAL A 19 8.583 -5.376 -0.263 1.00 0.76 H new ATOM 0 HG11 VAL A 19 6.488 -4.521 0.734 1.00 0.74 H new ATOM 0 HG12 VAL A 19 6.992 -3.568 -0.682 1.00 0.74 H new ATOM 0 HG13 VAL A 19 5.666 -4.746 -0.829 1.00 0.74 H new ATOM 0 HG21 VAL A 19 7.021 -6.892 0.899 1.00 0.87 H new ATOM 0 HG22 VAL A 19 6.221 -7.241 -0.651 1.00 0.87 H new ATOM 0 HG23 VAL A 19 7.916 -7.719 -0.397 1.00 0.87 H new ATOM 238 N ARG A 20 7.610 -3.633 -3.544 1.00 0.95 N ATOM 239 CA ARG A 20 8.039 -2.353 -4.086 1.00 1.00 C ATOM 240 C ARG A 20 7.030 -1.268 -3.710 1.00 1.04 C ATOM 241 O ARG A 20 5.821 -1.488 -3.801 1.00 1.14 O ATOM 242 CB ARG A 20 8.136 -2.450 -5.608 1.00 1.23 C ATOM 243 CG ARG A 20 8.889 -3.673 -6.099 1.00 1.42 C ATOM 244 CD ARG A 20 8.659 -3.907 -7.582 1.00 1.62 C ATOM 245 NE ARG A 20 9.215 -5.185 -8.019 1.00 1.83 N ATOM 246 CZ ARG A 20 8.949 -5.758 -9.191 1.00 2.15 C ATOM 247 NH1 ARG A 20 8.135 -5.170 -10.060 1.00 2.44 N ATOM 248 NH2 ARG A 20 9.498 -6.927 -9.492 1.00 2.67 N ATOM 0 H ARG A 20 6.684 -3.932 -3.850 1.00 0.95 H new ATOM 0 HA ARG A 20 9.015 -2.097 -3.673 1.00 1.00 H new ATOM 0 HB2 ARG A 20 7.130 -2.463 -6.026 1.00 1.23 H new ATOM 0 HB3 ARG A 20 8.628 -1.555 -5.989 1.00 1.23 H new ATOM 0 HG2 ARG A 20 9.955 -3.546 -5.910 1.00 1.42 H new ATOM 0 HG3 ARG A 20 8.568 -4.550 -5.537 1.00 1.42 H new ATOM 0 HD2 ARG A 20 7.590 -3.884 -7.793 1.00 1.62 H new ATOM 0 HD3 ARG A 20 9.114 -3.098 -8.153 1.00 1.62 H new ATOM 0 HE ARG A 20 9.849 -5.671 -7.384 1.00 1.83 H new ATOM 0 HH11 ARG A 20 7.708 -4.272 -9.832 1.00 2.44 H new ATOM 0 HH12 ARG A 20 7.937 -5.616 -10.956 1.00 2.44 H new ATOM 0 HH21 ARG A 20 10.122 -7.384 -8.827 1.00 2.67 H new ATOM 0 HH22 ARG A 20 9.297 -7.369 -10.389 1.00 2.67 H new ATOM 262 N LEU A 21 7.521 -0.116 -3.269 1.00 1.06 N ATOM 263 CA LEU A 21 6.654 1.026 -2.966 1.00 1.22 C ATOM 264 C LEU A 21 7.256 2.304 -3.525 1.00 1.41 C ATOM 265 O LEU A 21 8.388 2.648 -3.204 1.00 1.45 O ATOM 266 CB LEU A 21 6.443 1.201 -1.455 1.00 1.18 C ATOM 267 CG LEU A 21 5.640 0.104 -0.758 1.00 1.09 C ATOM 268 CD1 LEU A 21 6.528 -1.070 -0.375 1.00 0.89 C ATOM 269 CD2 LEU A 21 4.928 0.669 0.459 1.00 1.23 C ATOM 0 H LEU A 21 8.514 0.056 -3.112 1.00 1.06 H new ATOM 0 HA LEU A 21 5.688 0.826 -3.431 1.00 1.22 H new ATOM 0 HB2 LEU A 21 7.421 1.267 -0.977 1.00 1.18 H new ATOM 0 HB3 LEU A 21 5.941 2.154 -1.287 1.00 1.18 H new ATOM 0 HG LEU A 21 4.890 -0.268 -1.456 1.00 1.09 H new ATOM 0 HD11 LEU A 21 5.928 -1.834 0.119 1.00 0.89 H new ATOM 0 HD12 LEU A 21 6.983 -1.490 -1.272 1.00 0.89 H new ATOM 0 HD13 LEU A 21 7.310 -0.729 0.303 1.00 0.89 H new ATOM 0 HD21 LEU A 21 4.359 -0.122 0.947 1.00 1.23 H new ATOM 0 HD22 LEU A 21 5.663 1.071 1.156 1.00 1.23 H new ATOM 0 HD23 LEU A 21 4.250 1.464 0.148 1.00 1.23 H new ATOM 281 N TRP A 22 6.496 3.010 -4.344 1.00 1.61 N ATOM 282 CA TRP A 22 6.961 4.259 -4.925 1.00 1.82 C ATOM 283 C TRP A 22 5.822 5.269 -4.962 1.00 2.04 C ATOM 284 O TRP A 22 4.675 4.914 -5.223 1.00 2.09 O ATOM 285 CB TRP A 22 7.526 4.031 -6.338 1.00 1.87 C ATOM 286 CG TRP A 22 6.526 3.495 -7.320 1.00 1.96 C ATOM 287 CD1 TRP A 22 5.886 4.194 -8.302 1.00 2.19 C ATOM 288 CD2 TRP A 22 6.050 2.147 -7.410 1.00 1.86 C ATOM 289 NE1 TRP A 22 5.038 3.365 -8.995 1.00 2.26 N ATOM 290 CE2 TRP A 22 5.119 2.103 -8.464 1.00 2.06 C ATOM 291 CE3 TRP A 22 6.315 0.977 -6.697 1.00 1.64 C ATOM 292 CZ2 TRP A 22 4.458 0.933 -8.824 1.00 2.08 C ATOM 293 CZ3 TRP A 22 5.661 -0.182 -7.052 1.00 1.66 C ATOM 294 CH2 TRP A 22 4.738 -0.200 -8.107 1.00 1.88 C ATOM 0 H TRP A 22 5.553 2.740 -4.622 1.00 1.61 H new ATOM 0 HA TRP A 22 7.764 4.653 -4.303 1.00 1.82 H new ATOM 0 HB2 TRP A 22 7.921 4.974 -6.716 1.00 1.87 H new ATOM 0 HB3 TRP A 22 8.364 3.337 -6.275 1.00 1.87 H new ATOM 0 HD1 TRP A 22 6.026 5.246 -8.505 1.00 2.19 H new ATOM 0 HE1 TRP A 22 4.445 3.643 -9.777 1.00 2.26 H new ATOM 0 HE3 TRP A 22 7.021 0.980 -5.880 1.00 1.64 H new ATOM 0 HZ2 TRP A 22 3.750 0.919 -9.639 1.00 2.08 H new ATOM 0 HZ3 TRP A 22 5.863 -1.093 -6.508 1.00 1.66 H new ATOM 0 HH2 TRP A 22 4.239 -1.124 -8.359 1.00 1.88 H new ATOM 305 N VAL A 23 6.130 6.521 -4.675 1.00 2.21 N ATOM 306 CA VAL A 23 5.119 7.561 -4.689 1.00 2.44 C ATOM 307 C VAL A 23 4.950 8.111 -6.103 1.00 2.71 C ATOM 308 O VAL A 23 5.912 8.552 -6.729 1.00 2.81 O ATOM 309 CB VAL A 23 5.458 8.701 -3.693 1.00 2.66 C ATOM 310 CG1 VAL A 23 6.825 9.303 -3.988 1.00 2.85 C ATOM 311 CG2 VAL A 23 4.383 9.777 -3.721 1.00 2.92 C ATOM 0 H VAL A 23 7.067 6.841 -4.431 1.00 2.21 H new ATOM 0 HA VAL A 23 4.176 7.118 -4.367 1.00 2.44 H new ATOM 0 HB VAL A 23 5.490 8.270 -2.692 1.00 2.66 H new ATOM 0 HG11 VAL A 23 7.034 10.099 -3.273 1.00 2.85 H new ATOM 0 HG12 VAL A 23 7.589 8.530 -3.904 1.00 2.85 H new ATOM 0 HG13 VAL A 23 6.832 9.712 -4.999 1.00 2.85 H new ATOM 0 HG21 VAL A 23 4.640 10.567 -3.015 1.00 2.92 H new ATOM 0 HG22 VAL A 23 4.313 10.196 -4.725 1.00 2.92 H new ATOM 0 HG23 VAL A 23 3.424 9.340 -3.443 1.00 2.92 H new ATOM 321 N GLU A 24 3.731 8.045 -6.610 1.00 2.84 N ATOM 322 CA GLU A 24 3.437 8.536 -7.944 1.00 3.15 C ATOM 323 C GLU A 24 2.581 9.787 -7.834 1.00 3.47 C ATOM 324 O GLU A 24 1.377 9.707 -7.562 1.00 3.45 O ATOM 325 CB GLU A 24 2.719 7.454 -8.758 1.00 3.09 C ATOM 326 CG GLU A 24 2.907 7.568 -10.265 1.00 3.44 C ATOM 327 CD GLU A 24 2.417 8.881 -10.842 1.00 3.75 C ATOM 328 OE1 GLU A 24 1.195 9.020 -11.062 1.00 4.20 O ATOM 329 OE2 GLU A 24 3.256 9.770 -11.089 1.00 4.16 O ATOM 0 H GLU A 24 2.928 7.655 -6.116 1.00 2.84 H new ATOM 0 HA GLU A 24 4.365 8.784 -8.459 1.00 3.15 H new ATOM 0 HB2 GLU A 24 3.075 6.476 -8.433 1.00 3.09 H new ATOM 0 HB3 GLU A 24 1.653 7.496 -8.533 1.00 3.09 H new ATOM 0 HG2 GLU A 24 3.965 7.450 -10.500 1.00 3.44 H new ATOM 0 HG3 GLU A 24 2.379 6.748 -10.751 1.00 3.44 H new ATOM 336 N GLY A 25 3.216 10.936 -8.007 1.00 3.78 N ATOM 337 CA GLY A 25 2.527 12.201 -7.888 1.00 4.13 C ATOM 338 C GLY A 25 2.112 12.492 -6.460 1.00 4.12 C ATOM 339 O GLY A 25 2.830 13.155 -5.712 1.00 4.20 O ATOM 0 H GLY A 25 4.208 11.013 -8.230 1.00 3.78 H new ATOM 0 HA2 GLY A 25 3.174 13.001 -8.247 1.00 4.13 H new ATOM 0 HA3 GLY A 25 1.644 12.194 -8.527 1.00 4.13 H new ATOM 343 N GLU A 26 0.952 11.987 -6.086 1.00 4.08 N ATOM 344 CA GLU A 26 0.429 12.171 -4.745 1.00 4.12 C ATOM 345 C GLU A 26 0.301 10.831 -4.025 1.00 3.62 C ATOM 346 O GLU A 26 0.473 10.741 -2.807 1.00 3.64 O ATOM 347 CB GLU A 26 -0.944 12.840 -4.822 1.00 4.51 C ATOM 348 CG GLU A 26 -1.686 12.894 -3.497 1.00 5.05 C ATOM 349 CD GLU A 26 -3.170 13.108 -3.685 1.00 4.66 C ATOM 350 OE1 GLU A 26 -3.875 12.132 -4.025 1.00 4.88 O ATOM 351 OE2 GLU A 26 -3.641 14.246 -3.505 1.00 5.15 O ATOM 0 H GLU A 26 0.348 11.440 -6.699 1.00 4.08 H new ATOM 0 HA GLU A 26 1.120 12.802 -4.186 1.00 4.12 H new ATOM 0 HB2 GLU A 26 -0.820 13.856 -5.198 1.00 4.51 H new ATOM 0 HB3 GLU A 26 -1.557 12.304 -5.547 1.00 4.51 H new ATOM 0 HG2 GLU A 26 -1.520 11.965 -2.951 1.00 5.05 H new ATOM 0 HG3 GLU A 26 -1.278 13.700 -2.886 1.00 5.05 H new ATOM 358 N ARG A 27 0.021 9.782 -4.784 1.00 3.25 N ATOM 359 CA ARG A 27 -0.376 8.523 -4.187 1.00 2.79 C ATOM 360 C ARG A 27 0.738 7.492 -4.238 1.00 2.64 C ATOM 361 O ARG A 27 1.386 7.301 -5.267 1.00 2.74 O ATOM 362 CB ARG A 27 -1.621 7.976 -4.882 1.00 2.61 C ATOM 363 CG ARG A 27 -2.379 6.955 -4.050 1.00 2.49 C ATOM 364 CD ARG A 27 -2.810 7.550 -2.715 1.00 3.08 C ATOM 365 NE ARG A 27 -3.494 8.838 -2.875 1.00 3.76 N ATOM 366 CZ ARG A 27 -4.572 9.211 -2.182 1.00 4.65 C ATOM 367 NH1 ARG A 27 -5.144 8.369 -1.324 1.00 5.01 N ATOM 368 NH2 ARG A 27 -5.085 10.428 -2.355 1.00 5.38 N ATOM 0 H ARG A 27 0.062 9.780 -5.803 1.00 3.25 H new ATOM 0 HA ARG A 27 -0.600 8.719 -3.138 1.00 2.79 H new ATOM 0 HB2 ARG A 27 -2.287 8.805 -5.122 1.00 2.61 H new ATOM 0 HB3 ARG A 27 -1.329 7.518 -5.827 1.00 2.61 H new ATOM 0 HG2 ARG A 27 -3.256 6.612 -4.599 1.00 2.49 H new ATOM 0 HG3 ARG A 27 -1.749 6.082 -3.877 1.00 2.49 H new ATOM 0 HD2 ARG A 27 -3.472 6.850 -2.205 1.00 3.08 H new ATOM 0 HD3 ARG A 27 -1.935 7.682 -2.079 1.00 3.08 H new ATOM 0 HE ARG A 27 -3.121 9.493 -3.562 1.00 3.76 H new ATOM 0 HH11 ARG A 27 -4.759 7.434 -1.194 1.00 5.01 H new ATOM 0 HH12 ARG A 27 -5.968 8.659 -0.797 1.00 5.01 H new ATOM 0 HH21 ARG A 27 -4.654 11.074 -3.017 1.00 5.38 H new ATOM 0 HH22 ARG A 27 -5.909 10.714 -1.826 1.00 5.38 H new ATOM 382 N LEU A 28 0.949 6.843 -3.103 1.00 2.44 N ATOM 383 CA LEU A 28 1.897 5.750 -2.992 1.00 2.27 C ATOM 384 C LEU A 28 1.369 4.538 -3.761 1.00 2.10 C ATOM 385 O LEU A 28 0.237 4.104 -3.549 1.00 2.02 O ATOM 386 CB LEU A 28 2.102 5.420 -1.501 1.00 2.25 C ATOM 387 CG LEU A 28 3.247 4.461 -1.137 1.00 2.00 C ATOM 388 CD1 LEU A 28 2.905 3.022 -1.488 1.00 2.23 C ATOM 389 CD2 LEU A 28 4.542 4.887 -1.811 1.00 2.15 C ATOM 0 H LEU A 28 0.465 7.062 -2.232 1.00 2.44 H new ATOM 0 HA LEU A 28 2.858 6.031 -3.423 1.00 2.27 H new ATOM 0 HB2 LEU A 28 2.266 6.357 -0.969 1.00 2.25 H new ATOM 0 HB3 LEU A 28 1.173 4.995 -1.120 1.00 2.25 H new ATOM 0 HG LEU A 28 3.387 4.512 -0.057 1.00 2.00 H new ATOM 0 HD11 LEU A 28 3.738 2.373 -1.216 1.00 2.23 H new ATOM 0 HD12 LEU A 28 2.013 2.716 -0.941 1.00 2.23 H new ATOM 0 HD13 LEU A 28 2.718 2.943 -2.559 1.00 2.23 H new ATOM 0 HD21 LEU A 28 5.339 4.194 -1.539 1.00 2.15 H new ATOM 0 HD22 LEU A 28 4.408 4.880 -2.893 1.00 2.15 H new ATOM 0 HD23 LEU A 28 4.808 5.892 -1.485 1.00 2.15 H new ATOM 401 N ARG A 29 2.185 4.017 -4.666 1.00 2.11 N ATOM 402 CA ARG A 29 1.837 2.814 -5.409 1.00 2.02 C ATOM 403 C ARG A 29 2.507 1.607 -4.770 1.00 1.76 C ATOM 404 O ARG A 29 3.708 1.628 -4.488 1.00 1.70 O ATOM 405 CB ARG A 29 2.262 2.928 -6.875 1.00 2.24 C ATOM 406 CG ARG A 29 1.144 3.319 -7.829 1.00 2.78 C ATOM 407 CD ARG A 29 0.632 4.724 -7.572 1.00 2.72 C ATOM 408 NE ARG A 29 -0.407 5.111 -8.529 1.00 3.29 N ATOM 409 CZ ARG A 29 -0.814 6.365 -8.729 1.00 3.54 C ATOM 410 NH1 ARG A 29 -0.336 7.356 -7.987 1.00 3.42 N ATOM 411 NH2 ARG A 29 -1.709 6.631 -9.670 1.00 4.22 N ATOM 0 H ARG A 29 3.096 4.410 -4.904 1.00 2.11 H new ATOM 0 HA ARG A 29 0.754 2.693 -5.378 1.00 2.02 H new ATOM 0 HB2 ARG A 29 3.062 3.665 -6.952 1.00 2.24 H new ATOM 0 HB3 ARG A 29 2.677 1.972 -7.195 1.00 2.24 H new ATOM 0 HG2 ARG A 29 1.504 3.248 -8.855 1.00 2.78 H new ATOM 0 HG3 ARG A 29 0.321 2.611 -7.730 1.00 2.78 H new ATOM 0 HD2 ARG A 29 0.234 4.785 -6.559 1.00 2.72 H new ATOM 0 HD3 ARG A 29 1.461 5.429 -7.632 1.00 2.72 H new ATOM 0 HE ARG A 29 -0.848 4.373 -9.078 1.00 3.29 H new ATOM 0 HH11 ARG A 29 0.349 7.162 -7.256 1.00 3.42 H new ATOM 0 HH12 ARG A 29 -0.653 8.312 -8.147 1.00 3.42 H new ATOM 0 HH21 ARG A 29 -2.087 5.876 -10.242 1.00 4.22 H new ATOM 0 HH22 ARG A 29 -2.019 7.591 -9.822 1.00 4.22 H new ATOM 425 N PHE A 30 1.727 0.563 -4.540 1.00 1.65 N ATOM 426 CA PHE A 30 2.212 -0.621 -3.850 1.00 1.43 C ATOM 427 C PHE A 30 2.352 -1.784 -4.832 1.00 1.49 C ATOM 428 O PHE A 30 1.588 -1.891 -5.793 1.00 1.69 O ATOM 429 CB PHE A 30 1.238 -0.989 -2.728 1.00 1.35 C ATOM 430 CG PHE A 30 1.899 -1.484 -1.466 1.00 1.14 C ATOM 431 CD1 PHE A 30 2.829 -2.513 -1.493 1.00 1.69 C ATOM 432 CD2 PHE A 30 1.584 -0.909 -0.244 1.00 1.50 C ATOM 433 CE1 PHE A 30 3.428 -2.955 -0.332 1.00 1.62 C ATOM 434 CE2 PHE A 30 2.179 -1.349 0.921 1.00 1.47 C ATOM 435 CZ PHE A 30 3.102 -2.373 0.876 1.00 0.99 C ATOM 0 H PHE A 30 0.749 0.512 -4.823 1.00 1.65 H new ATOM 0 HA PHE A 30 3.192 -0.413 -3.421 1.00 1.43 H new ATOM 0 HB2 PHE A 30 0.633 -0.115 -2.488 1.00 1.35 H new ATOM 0 HB3 PHE A 30 0.557 -1.758 -3.092 1.00 1.35 H new ATOM 0 HD1 PHE A 30 3.087 -2.974 -2.435 1.00 1.69 H new ATOM 0 HD2 PHE A 30 0.863 -0.106 -0.203 1.00 1.50 H new ATOM 0 HE1 PHE A 30 4.152 -3.756 -0.368 1.00 1.62 H new ATOM 0 HE2 PHE A 30 1.923 -0.893 1.866 1.00 1.47 H new ATOM 0 HZ PHE A 30 3.569 -2.719 1.786 1.00 0.99 H new ATOM 445 N GLN A 31 3.347 -2.628 -4.608 1.00 1.37 N ATOM 446 CA GLN A 31 3.543 -3.813 -5.423 1.00 1.46 C ATOM 447 C GLN A 31 4.083 -4.952 -4.565 1.00 1.31 C ATOM 448 O GLN A 31 5.222 -4.900 -4.101 1.00 1.14 O ATOM 449 CB GLN A 31 4.508 -3.510 -6.573 1.00 1.58 C ATOM 450 CG GLN A 31 4.645 -4.643 -7.580 1.00 1.74 C ATOM 451 CD GLN A 31 3.335 -4.971 -8.281 1.00 2.14 C ATOM 452 OE1 GLN A 31 2.488 -3.969 -8.451 1.00 2.68 O flip ATOM 453 NE2 GLN A 31 3.094 -6.114 -8.665 1.00 2.52 N flip ATOM 0 H GLN A 31 4.034 -2.512 -3.863 1.00 1.37 H new ATOM 0 HA GLN A 31 2.584 -4.115 -5.844 1.00 1.46 H new ATOM 0 HB2 GLN A 31 4.168 -2.614 -7.093 1.00 1.58 H new ATOM 0 HB3 GLN A 31 5.491 -3.284 -6.159 1.00 1.58 H new ATOM 0 HG2 GLN A 31 5.393 -4.372 -8.325 1.00 1.74 H new ATOM 0 HG3 GLN A 31 5.012 -5.534 -7.070 1.00 1.74 H new ATOM 0 HE21 GLN A 31 3.776 -6.857 -8.513 1.00 2.52 H new ATOM 0 HE22 GLN A 31 2.212 -6.319 -9.135 1.00 2.52 H new ATOM 462 N ALA A 32 3.261 -5.967 -4.342 1.00 1.43 N ATOM 463 CA ALA A 32 3.652 -7.104 -3.520 1.00 1.36 C ATOM 464 C ALA A 32 3.022 -8.389 -4.038 1.00 1.55 C ATOM 465 O ALA A 32 1.845 -8.406 -4.397 1.00 1.69 O ATOM 466 CB ALA A 32 3.252 -6.870 -2.073 1.00 1.25 C ATOM 0 H ALA A 32 2.316 -6.027 -4.720 1.00 1.43 H new ATOM 0 HA ALA A 32 4.736 -7.208 -3.575 1.00 1.36 H new ATOM 0 HB1 ALA A 32 3.550 -7.728 -1.470 1.00 1.25 H new ATOM 0 HB2 ALA A 32 3.747 -5.974 -1.699 1.00 1.25 H new ATOM 0 HB3 ALA A 32 2.172 -6.741 -2.011 1.00 1.25 H new ATOM 472 N PRO A 33 3.807 -9.473 -4.112 1.00 1.60 N ATOM 473 CA PRO A 33 3.302 -10.798 -4.487 1.00 1.79 C ATOM 474 C PRO A 33 2.228 -11.300 -3.523 1.00 1.78 C ATOM 475 O PRO A 33 2.153 -10.865 -2.370 1.00 1.62 O ATOM 476 CB PRO A 33 4.546 -11.691 -4.415 1.00 1.82 C ATOM 477 CG PRO A 33 5.695 -10.753 -4.542 1.00 1.84 C ATOM 478 CD PRO A 33 5.255 -9.492 -3.860 1.00 1.52 C ATOM 0 HA PRO A 33 2.826 -10.790 -5.468 1.00 1.79 H new ATOM 0 HB2 PRO A 33 4.585 -12.240 -3.474 1.00 1.82 H new ATOM 0 HB3 PRO A 33 4.549 -12.431 -5.216 1.00 1.82 H new ATOM 0 HG2 PRO A 33 6.590 -11.162 -4.073 1.00 1.84 H new ATOM 0 HG3 PRO A 33 5.939 -10.570 -5.588 1.00 1.84 H new ATOM 0 HD2 PRO A 33 5.480 -9.510 -2.794 1.00 1.52 H new ATOM 0 HD3 PRO A 33 5.749 -8.614 -4.276 1.00 1.52 H new ATOM 486 N PRO A 34 1.376 -12.223 -3.983 1.00 1.96 N ATOM 487 CA PRO A 34 0.289 -12.762 -3.168 1.00 1.97 C ATOM 488 C PRO A 34 0.800 -13.514 -1.944 1.00 1.88 C ATOM 489 O PRO A 34 1.619 -14.429 -2.054 1.00 1.95 O ATOM 490 CB PRO A 34 -0.453 -13.712 -4.117 1.00 2.20 C ATOM 491 CG PRO A 34 0.507 -14.009 -5.217 1.00 2.31 C ATOM 492 CD PRO A 34 1.409 -12.811 -5.331 1.00 2.19 C ATOM 0 HA PRO A 34 -0.345 -11.970 -2.770 1.00 1.97 H new ATOM 0 HB2 PRO A 34 -0.754 -14.624 -3.602 1.00 2.20 H new ATOM 0 HB3 PRO A 34 -1.361 -13.250 -4.503 1.00 2.20 H new ATOM 0 HG2 PRO A 34 1.082 -14.908 -4.998 1.00 2.31 H new ATOM 0 HG3 PRO A 34 -0.020 -14.188 -6.154 1.00 2.31 H new ATOM 0 HD2 PRO A 34 2.421 -13.097 -5.619 1.00 2.19 H new ATOM 0 HD3 PRO A 34 1.050 -12.109 -6.083 1.00 2.19 H new ATOM 500 N GLY A 35 0.343 -13.090 -0.773 1.00 1.76 N ATOM 501 CA GLY A 35 0.667 -13.795 0.453 1.00 1.72 C ATOM 502 C GLY A 35 1.619 -13.029 1.351 1.00 1.60 C ATOM 503 O GLY A 35 1.465 -13.037 2.568 1.00 1.71 O ATOM 0 H GLY A 35 -0.248 -12.268 -0.650 1.00 1.76 H new ATOM 0 HA2 GLY A 35 -0.253 -13.999 1.001 1.00 1.72 H new ATOM 0 HA3 GLY A 35 1.110 -14.759 0.203 1.00 1.72 H new ATOM 507 N VAL A 36 2.577 -12.334 0.751 1.00 1.46 N ATOM 508 CA VAL A 36 3.648 -11.684 1.513 1.00 1.34 C ATOM 509 C VAL A 36 3.177 -10.422 2.226 1.00 1.22 C ATOM 510 O VAL A 36 3.867 -9.896 3.088 1.00 1.22 O ATOM 511 CB VAL A 36 4.836 -11.320 0.608 1.00 1.31 C ATOM 512 CG1 VAL A 36 5.403 -12.572 -0.030 1.00 1.49 C ATOM 513 CG2 VAL A 36 4.432 -10.307 -0.450 1.00 1.25 C ATOM 0 H VAL A 36 2.639 -12.203 -0.259 1.00 1.46 H new ATOM 0 HA VAL A 36 3.960 -12.411 2.263 1.00 1.34 H new ATOM 0 HB VAL A 36 5.609 -10.859 1.223 1.00 1.31 H new ATOM 0 HG11 VAL A 36 6.244 -12.305 -0.670 1.00 1.49 H new ATOM 0 HG12 VAL A 36 5.741 -13.256 0.748 1.00 1.49 H new ATOM 0 HG13 VAL A 36 4.632 -13.057 -0.628 1.00 1.49 H new ATOM 0 HG21 VAL A 36 5.293 -10.070 -1.074 1.00 1.25 H new ATOM 0 HG22 VAL A 36 3.639 -10.725 -1.070 1.00 1.25 H new ATOM 0 HG23 VAL A 36 4.073 -9.399 0.034 1.00 1.25 H new ATOM 523 N MET A 37 1.989 -9.963 1.875 1.00 1.18 N ATOM 524 CA MET A 37 1.466 -8.690 2.366 1.00 1.11 C ATOM 525 C MET A 37 0.845 -8.832 3.758 1.00 1.14 C ATOM 526 O MET A 37 0.012 -8.020 4.157 1.00 1.18 O ATOM 527 CB MET A 37 0.438 -8.128 1.379 1.00 1.19 C ATOM 528 CG MET A 37 0.170 -6.635 1.539 1.00 1.18 C ATOM 529 SD MET A 37 1.315 -5.595 0.599 1.00 1.41 S ATOM 530 CE MET A 37 2.888 -5.891 1.410 1.00 0.92 C ATOM 0 H MET A 37 1.358 -10.456 1.244 1.00 1.18 H new ATOM 0 HA MET A 37 2.302 -7.996 2.449 1.00 1.11 H new ATOM 0 HB2 MET A 37 0.785 -8.317 0.363 1.00 1.19 H new ATOM 0 HB3 MET A 37 -0.500 -8.669 1.501 1.00 1.19 H new ATOM 0 HG2 MET A 37 -0.850 -6.420 1.220 1.00 1.18 H new ATOM 0 HG3 MET A 37 0.236 -6.373 2.595 1.00 1.18 H new ATOM 0 HE1 MET A 37 3.564 -5.060 1.208 1.00 0.92 H new ATOM 0 HE2 MET A 37 2.732 -5.978 2.485 1.00 0.92 H new ATOM 0 HE3 MET A 37 3.325 -6.815 1.031 1.00 0.92 H new ATOM 540 N THR A 38 1.237 -9.876 4.481 1.00 1.18 N ATOM 541 CA THR A 38 0.717 -10.130 5.818 1.00 1.27 C ATOM 542 C THR A 38 0.820 -8.877 6.693 1.00 1.26 C ATOM 543 O THR A 38 1.779 -8.107 6.575 1.00 1.16 O ATOM 544 CB THR A 38 1.484 -11.286 6.490 1.00 1.37 C ATOM 545 OG1 THR A 38 2.895 -11.037 6.438 1.00 1.35 O ATOM 546 CG2 THR A 38 1.175 -12.614 5.815 1.00 1.45 C ATOM 0 H THR A 38 1.918 -10.564 4.160 1.00 1.18 H new ATOM 0 HA THR A 38 -0.333 -10.406 5.716 1.00 1.27 H new ATOM 0 HB THR A 38 1.162 -11.344 7.530 1.00 1.37 H new ATOM 0 HG1 THR A 38 3.374 -11.776 6.869 1.00 1.35 H new ATOM 0 HG21 THR A 38 1.730 -13.411 6.310 1.00 1.45 H new ATOM 0 HG22 THR A 38 0.107 -12.818 5.885 1.00 1.45 H new ATOM 0 HG23 THR A 38 1.467 -12.566 4.766 1.00 1.45 H new ATOM 554 N PRO A 39 -0.171 -8.646 7.577 1.00 1.41 N ATOM 555 CA PRO A 39 -0.176 -7.482 8.471 1.00 1.46 C ATOM 556 C PRO A 39 1.117 -7.376 9.278 1.00 1.43 C ATOM 557 O PRO A 39 1.585 -6.275 9.583 1.00 1.40 O ATOM 558 CB PRO A 39 -1.375 -7.736 9.390 1.00 1.69 C ATOM 559 CG PRO A 39 -2.268 -8.633 8.607 1.00 1.72 C ATOM 560 CD PRO A 39 -1.367 -9.488 7.760 1.00 1.56 C ATOM 0 HA PRO A 39 -0.247 -6.543 7.923 1.00 1.46 H new ATOM 0 HB2 PRO A 39 -1.065 -8.203 10.325 1.00 1.69 H new ATOM 0 HB3 PRO A 39 -1.879 -6.805 9.650 1.00 1.69 H new ATOM 0 HG2 PRO A 39 -2.879 -9.248 9.268 1.00 1.72 H new ATOM 0 HG3 PRO A 39 -2.953 -8.055 7.986 1.00 1.72 H new ATOM 0 HD2 PRO A 39 -1.124 -10.429 8.254 1.00 1.56 H new ATOM 0 HD3 PRO A 39 -1.831 -9.739 6.806 1.00 1.56 H new ATOM 568 N GLU A 40 1.690 -8.529 9.609 1.00 1.49 N ATOM 569 CA GLU A 40 2.980 -8.588 10.279 1.00 1.53 C ATOM 570 C GLU A 40 4.043 -7.881 9.440 1.00 1.32 C ATOM 571 O GLU A 40 4.761 -7.012 9.934 1.00 1.29 O ATOM 572 CB GLU A 40 3.377 -10.049 10.516 1.00 1.71 C ATOM 573 CG GLU A 40 4.676 -10.221 11.284 1.00 1.94 C ATOM 574 CD GLU A 40 4.655 -9.523 12.629 1.00 2.17 C ATOM 575 OE1 GLU A 40 3.760 -9.825 13.445 1.00 2.76 O ATOM 576 OE2 GLU A 40 5.542 -8.678 12.885 1.00 2.48 O ATOM 0 H GLU A 40 1.275 -9.442 9.421 1.00 1.49 H new ATOM 0 HA GLU A 40 2.903 -8.082 11.241 1.00 1.53 H new ATOM 0 HB2 GLU A 40 2.576 -10.548 11.061 1.00 1.71 H new ATOM 0 HB3 GLU A 40 3.468 -10.551 9.553 1.00 1.71 H new ATOM 0 HG2 GLU A 40 4.867 -11.284 11.433 1.00 1.94 H new ATOM 0 HG3 GLU A 40 5.500 -9.829 10.688 1.00 1.94 H new ATOM 583 N LEU A 41 4.112 -8.236 8.157 1.00 1.20 N ATOM 584 CA LEU A 41 5.064 -7.616 7.241 1.00 1.02 C ATOM 585 C LEU A 41 4.789 -6.133 7.123 1.00 0.89 C ATOM 586 O LEU A 41 5.699 -5.309 7.206 1.00 0.81 O ATOM 587 CB LEU A 41 4.970 -8.214 5.843 1.00 0.97 C ATOM 588 CG LEU A 41 6.077 -7.747 4.898 1.00 0.87 C ATOM 589 CD1 LEU A 41 7.177 -8.792 4.806 1.00 1.11 C ATOM 590 CD2 LEU A 41 5.510 -7.415 3.528 1.00 0.83 C ATOM 0 H LEU A 41 3.520 -8.949 7.731 1.00 1.20 H new ATOM 0 HA LEU A 41 6.058 -7.797 7.649 1.00 1.02 H new ATOM 0 HB2 LEU A 41 5.005 -9.301 5.919 1.00 0.97 H new ATOM 0 HB3 LEU A 41 4.003 -7.955 5.411 1.00 0.97 H new ATOM 0 HG LEU A 41 6.517 -6.836 5.303 1.00 0.87 H new ATOM 0 HD11 LEU A 41 7.956 -8.442 4.129 1.00 1.11 H new ATOM 0 HD12 LEU A 41 7.604 -8.959 5.795 1.00 1.11 H new ATOM 0 HD13 LEU A 41 6.761 -9.726 4.428 1.00 1.11 H new ATOM 0 HD21 LEU A 41 6.315 -7.085 2.871 1.00 0.83 H new ATOM 0 HD22 LEU A 41 5.037 -8.302 3.105 1.00 0.83 H new ATOM 0 HD23 LEU A 41 4.770 -6.620 3.623 1.00 0.83 H new ATOM 602 N GLN A 42 3.521 -5.813 6.922 1.00 0.95 N ATOM 603 CA GLN A 42 3.086 -4.442 6.717 1.00 0.95 C ATOM 604 C GLN A 42 3.496 -3.552 7.887 1.00 0.97 C ATOM 605 O GLN A 42 3.913 -2.406 7.691 1.00 0.97 O ATOM 606 CB GLN A 42 1.571 -4.410 6.523 1.00 1.13 C ATOM 607 CG GLN A 42 1.010 -3.024 6.267 1.00 1.33 C ATOM 608 CD GLN A 42 1.559 -2.385 5.006 1.00 1.41 C ATOM 609 OE1 GLN A 42 1.012 -2.548 3.920 1.00 2.06 O ATOM 610 NE2 GLN A 42 2.643 -1.639 5.150 1.00 1.57 N ATOM 0 H GLN A 42 2.765 -6.497 6.896 1.00 0.95 H new ATOM 0 HA GLN A 42 3.572 -4.053 5.822 1.00 0.95 H new ATOM 0 HB2 GLN A 42 1.309 -5.057 5.686 1.00 1.13 H new ATOM 0 HB3 GLN A 42 1.093 -4.826 7.410 1.00 1.13 H new ATOM 0 HG2 GLN A 42 -0.076 -3.086 6.193 1.00 1.33 H new ATOM 0 HG3 GLN A 42 1.236 -2.384 7.120 1.00 1.33 H new ATOM 0 HE21 GLN A 42 3.068 -1.529 6.071 1.00 1.57 H new ATOM 0 HE22 GLN A 42 3.054 -1.174 4.340 1.00 1.57 H new ATOM 619 N SER A 43 3.396 -4.086 9.097 1.00 1.06 N ATOM 620 CA SER A 43 3.777 -3.349 10.290 1.00 1.12 C ATOM 621 C SER A 43 5.297 -3.201 10.362 1.00 1.02 C ATOM 622 O SER A 43 5.806 -2.228 10.915 1.00 1.08 O ATOM 623 CB SER A 43 3.242 -4.051 11.544 1.00 1.29 C ATOM 624 OG SER A 43 3.332 -3.210 12.685 1.00 1.57 O ATOM 0 H SER A 43 3.053 -5.030 9.276 1.00 1.06 H new ATOM 0 HA SER A 43 3.337 -2.353 10.240 1.00 1.12 H new ATOM 0 HB2 SER A 43 2.204 -4.342 11.385 1.00 1.29 H new ATOM 0 HB3 SER A 43 3.806 -4.967 11.719 1.00 1.29 H new ATOM 0 HG SER A 43 2.982 -3.683 13.469 1.00 1.57 H new ATOM 630 N ARG A 44 6.013 -4.172 9.800 1.00 0.97 N ATOM 631 CA ARG A 44 7.473 -4.136 9.770 1.00 0.98 C ATOM 632 C ARG A 44 7.973 -3.184 8.687 1.00 0.90 C ATOM 633 O ARG A 44 9.064 -2.626 8.796 1.00 1.04 O ATOM 634 CB ARG A 44 8.038 -5.538 9.546 1.00 1.09 C ATOM 635 CG ARG A 44 7.666 -6.517 10.645 1.00 1.26 C ATOM 636 CD ARG A 44 8.224 -7.902 10.372 1.00 1.51 C ATOM 637 NE ARG A 44 7.831 -8.857 11.403 1.00 1.90 N ATOM 638 CZ ARG A 44 8.371 -10.065 11.551 1.00 2.59 C ATOM 639 NH1 ARG A 44 9.307 -10.490 10.709 1.00 3.00 N ATOM 640 NH2 ARG A 44 7.962 -10.851 12.536 1.00 3.34 N ATOM 0 H ARG A 44 5.604 -4.996 9.358 1.00 0.97 H new ATOM 0 HA ARG A 44 7.822 -3.768 10.735 1.00 0.98 H new ATOM 0 HB2 ARG A 44 7.677 -5.920 8.591 1.00 1.09 H new ATOM 0 HB3 ARG A 44 9.124 -5.478 9.475 1.00 1.09 H new ATOM 0 HG2 ARG A 44 8.044 -6.153 11.600 1.00 1.26 H new ATOM 0 HG3 ARG A 44 6.581 -6.572 10.732 1.00 1.26 H new ATOM 0 HD2 ARG A 44 7.873 -8.250 9.401 1.00 1.51 H new ATOM 0 HD3 ARG A 44 9.312 -7.852 10.318 1.00 1.51 H new ATOM 0 HE ARG A 44 7.095 -8.581 12.053 1.00 1.90 H new ATOM 0 HH11 ARG A 44 9.616 -9.890 9.944 1.00 3.00 H new ATOM 0 HH12 ARG A 44 9.717 -11.416 10.828 1.00 3.00 H new ATOM 0 HH21 ARG A 44 7.236 -10.530 13.177 1.00 3.34 H new ATOM 0 HH22 ARG A 44 8.373 -11.777 12.653 1.00 3.34 H new ATOM 654 N LEU A 45 7.180 -3.026 7.630 1.00 0.78 N ATOM 655 CA LEU A 45 7.446 -2.011 6.614 1.00 0.80 C ATOM 656 C LEU A 45 7.313 -0.632 7.251 1.00 1.06 C ATOM 657 O LEU A 45 7.990 0.321 6.867 1.00 1.25 O ATOM 658 CB LEU A 45 6.467 -2.156 5.433 1.00 0.77 C ATOM 659 CG LEU A 45 6.552 -3.477 4.649 1.00 0.64 C ATOM 660 CD1 LEU A 45 5.404 -3.595 3.657 1.00 0.78 C ATOM 661 CD2 LEU A 45 7.872 -3.586 3.907 1.00 0.54 C ATOM 0 H LEU A 45 6.347 -3.588 7.455 1.00 0.78 H new ATOM 0 HA LEU A 45 8.457 -2.140 6.226 1.00 0.80 H new ATOM 0 HB2 LEU A 45 5.451 -2.046 5.812 1.00 0.77 H new ATOM 0 HB3 LEU A 45 6.639 -1.333 4.740 1.00 0.77 H new ATOM 0 HG LEU A 45 6.483 -4.290 5.372 1.00 0.64 H new ATOM 0 HD11 LEU A 45 5.487 -4.537 3.115 1.00 0.78 H new ATOM 0 HD12 LEU A 45 4.455 -3.567 4.193 1.00 0.78 H new ATOM 0 HD13 LEU A 45 5.447 -2.766 2.951 1.00 0.78 H new ATOM 0 HD21 LEU A 45 7.906 -4.529 3.361 1.00 0.54 H new ATOM 0 HD22 LEU A 45 7.964 -2.757 3.205 1.00 0.54 H new ATOM 0 HD23 LEU A 45 8.695 -3.550 4.621 1.00 0.54 H new ATOM 673 N GLY A 46 6.391 -0.538 8.203 1.00 1.20 N ATOM 674 CA GLY A 46 6.266 0.646 9.033 1.00 1.56 C ATOM 675 C GLY A 46 5.431 1.732 8.393 1.00 1.89 C ATOM 676 O GLY A 46 4.855 2.566 9.085 1.00 2.30 O ATOM 0 H GLY A 46 5.718 -1.274 8.417 1.00 1.20 H new ATOM 0 HA2 GLY A 46 5.820 0.368 9.988 1.00 1.56 H new ATOM 0 HA3 GLY A 46 7.260 1.039 9.248 1.00 1.56 H new ATOM 680 N GLY A 47 5.349 1.711 7.069 1.00 1.84 N ATOM 681 CA GLY A 47 4.606 2.731 6.350 1.00 2.25 C ATOM 682 C GLY A 47 5.266 4.095 6.448 1.00 2.18 C ATOM 683 O GLY A 47 4.678 5.109 6.070 1.00 2.57 O ATOM 0 H GLY A 47 5.785 1.004 6.477 1.00 1.84 H new ATOM 0 HA2 GLY A 47 4.520 2.445 5.302 1.00 2.25 H new ATOM 0 HA3 GLY A 47 3.593 2.789 6.748 1.00 2.25 H new ATOM 687 N ALA A 48 6.499 4.113 6.943 1.00 1.86 N ATOM 688 CA ALA A 48 7.223 5.351 7.147 1.00 2.02 C ATOM 689 C ALA A 48 7.781 5.854 5.827 1.00 2.08 C ATOM 690 O ALA A 48 8.115 5.065 4.946 1.00 1.94 O ATOM 691 CB ALA A 48 8.336 5.136 8.155 1.00 1.99 C ATOM 0 H ALA A 48 7.016 3.275 7.210 1.00 1.86 H new ATOM 0 HA ALA A 48 6.541 6.106 7.539 1.00 2.02 H new ATOM 0 HB1 ALA A 48 8.877 6.070 8.304 1.00 1.99 H new ATOM 0 HB2 ALA A 48 7.910 4.808 9.103 1.00 1.99 H new ATOM 0 HB3 ALA A 48 9.022 4.375 7.783 1.00 1.99 H new ATOM 697 N ARG A 49 7.915 7.163 5.709 1.00 2.37 N ATOM 698 CA ARG A 49 8.296 7.777 4.447 1.00 2.47 C ATOM 699 C ARG A 49 9.731 7.417 4.070 1.00 2.33 C ATOM 700 O ARG A 49 9.982 6.940 2.966 1.00 2.17 O ATOM 701 CB ARG A 49 8.097 9.295 4.526 1.00 2.87 C ATOM 702 CG ARG A 49 8.908 9.970 5.616 1.00 3.30 C ATOM 703 CD ARG A 49 8.425 11.388 5.887 1.00 3.76 C ATOM 704 NE ARG A 49 8.316 12.177 4.660 1.00 4.15 N ATOM 705 CZ ARG A 49 9.073 13.234 4.379 1.00 4.69 C ATOM 706 NH1 ARG A 49 9.995 13.649 5.242 1.00 4.89 N ATOM 707 NH2 ARG A 49 8.894 13.892 3.244 1.00 5.36 N ATOM 0 H ARG A 49 7.766 7.823 6.472 1.00 2.37 H new ATOM 0 HA ARG A 49 7.653 7.387 3.658 1.00 2.47 H new ATOM 0 HB2 ARG A 49 8.362 9.736 3.565 1.00 2.87 H new ATOM 0 HB3 ARG A 49 7.040 9.504 4.692 1.00 2.87 H new ATOM 0 HG2 ARG A 49 8.844 9.383 6.532 1.00 3.30 H new ATOM 0 HG3 ARG A 49 9.958 9.993 5.325 1.00 3.30 H new ATOM 0 HD2 ARG A 49 7.454 11.351 6.381 1.00 3.76 H new ATOM 0 HD3 ARG A 49 9.114 11.880 6.574 1.00 3.76 H new ATOM 0 HE ARG A 49 7.613 11.898 3.975 1.00 4.15 H new ATOM 0 HH11 ARG A 49 10.125 13.156 6.126 1.00 4.89 H new ATOM 0 HH12 ARG A 49 10.572 14.460 5.021 1.00 4.89 H new ATOM 0 HH21 ARG A 49 8.176 13.588 2.586 1.00 5.36 H new ATOM 0 HH22 ARG A 49 9.474 14.703 3.028 1.00 5.36 H new ATOM 721 N HIS A 50 10.659 7.596 5.006 1.00 2.45 N ATOM 722 CA HIS A 50 12.071 7.291 4.760 1.00 2.44 C ATOM 723 C HIS A 50 12.265 5.802 4.492 1.00 2.06 C ATOM 724 O HIS A 50 13.104 5.409 3.680 1.00 1.95 O ATOM 725 CB HIS A 50 12.950 7.735 5.943 1.00 2.74 C ATOM 726 CG HIS A 50 12.451 7.277 7.283 1.00 2.77 C ATOM 727 ND1 HIS A 50 12.512 5.970 7.712 1.00 2.59 N ATOM 728 CD2 HIS A 50 11.835 7.962 8.272 1.00 2.99 C ATOM 729 CE1 HIS A 50 11.942 5.871 8.894 1.00 2.68 C ATOM 730 NE2 HIS A 50 11.528 7.065 9.263 1.00 2.91 N ATOM 0 H HIS A 50 10.462 7.950 5.942 1.00 2.45 H new ATOM 0 HA HIS A 50 12.379 7.849 3.876 1.00 2.44 H new ATOM 0 HB2 HIS A 50 13.960 7.354 5.794 1.00 2.74 H new ATOM 0 HB3 HIS A 50 13.016 8.823 5.944 1.00 2.74 H new ATOM 0 HD1 HIS A 50 12.933 5.199 7.194 1.00 2.59 H new ATOM 0 HD2 HIS A 50 11.623 9.021 8.280 1.00 2.99 H new ATOM 0 HE1 HIS A 50 11.832 4.962 9.466 1.00 2.68 H new ATOM 739 N GLU A 51 11.463 4.987 5.165 1.00 1.91 N ATOM 740 CA GLU A 51 11.553 3.545 5.024 1.00 1.65 C ATOM 741 C GLU A 51 11.156 3.141 3.624 1.00 1.36 C ATOM 742 O GLU A 51 11.861 2.394 2.949 1.00 1.19 O ATOM 743 CB GLU A 51 10.634 2.849 6.020 1.00 1.68 C ATOM 744 CG GLU A 51 11.358 1.854 6.893 1.00 1.72 C ATOM 745 CD GLU A 51 12.292 2.536 7.870 1.00 2.19 C ATOM 746 OE1 GLU A 51 13.415 2.909 7.473 1.00 2.54 O ATOM 747 OE2 GLU A 51 11.897 2.735 9.036 1.00 2.75 O ATOM 0 H GLU A 51 10.743 5.304 5.814 1.00 1.91 H new ATOM 0 HA GLU A 51 12.583 3.246 5.219 1.00 1.65 H new ATOM 0 HB2 GLU A 51 10.157 3.599 6.651 1.00 1.68 H new ATOM 0 HB3 GLU A 51 9.839 2.337 5.477 1.00 1.68 H new ATOM 0 HG2 GLU A 51 10.631 1.256 7.443 1.00 1.72 H new ATOM 0 HG3 GLU A 51 11.927 1.167 6.266 1.00 1.72 H new ATOM 754 N LEU A 52 10.032 3.668 3.190 1.00 1.41 N ATOM 755 CA LEU A 52 9.487 3.304 1.901 1.00 1.31 C ATOM 756 C LEU A 52 10.312 3.901 0.763 1.00 1.37 C ATOM 757 O LEU A 52 10.304 3.382 -0.353 1.00 1.27 O ATOM 758 CB LEU A 52 8.022 3.727 1.796 1.00 1.57 C ATOM 759 CG LEU A 52 7.108 3.141 2.874 1.00 1.56 C ATOM 760 CD1 LEU A 52 5.671 3.571 2.644 1.00 1.90 C ATOM 761 CD2 LEU A 52 7.215 1.624 2.907 1.00 1.33 C ATOM 0 H LEU A 52 9.479 4.349 3.710 1.00 1.41 H new ATOM 0 HA LEU A 52 9.536 2.219 1.810 1.00 1.31 H new ATOM 0 HB2 LEU A 52 7.968 4.815 1.845 1.00 1.57 H new ATOM 0 HB3 LEU A 52 7.642 3.433 0.818 1.00 1.57 H new ATOM 0 HG LEU A 52 7.432 3.525 3.842 1.00 1.56 H new ATOM 0 HD11 LEU A 52 5.035 3.145 3.420 1.00 1.90 H new ATOM 0 HD12 LEU A 52 5.607 4.659 2.679 1.00 1.90 H new ATOM 0 HD13 LEU A 52 5.338 3.219 1.668 1.00 1.90 H new ATOM 0 HD21 LEU A 52 6.557 1.230 3.681 1.00 1.33 H new ATOM 0 HD22 LEU A 52 6.922 1.217 1.939 1.00 1.33 H new ATOM 0 HD23 LEU A 52 8.244 1.336 3.125 1.00 1.33 H new ATOM 773 N ILE A 53 11.023 4.990 1.038 1.00 1.59 N ATOM 774 CA ILE A 53 11.959 5.542 0.066 1.00 1.69 C ATOM 775 C ILE A 53 13.060 4.525 -0.226 1.00 1.43 C ATOM 776 O ILE A 53 13.412 4.289 -1.381 1.00 1.32 O ATOM 777 CB ILE A 53 12.580 6.871 0.551 1.00 2.06 C ATOM 778 CG1 ILE A 53 11.512 7.969 0.599 1.00 2.36 C ATOM 779 CG2 ILE A 53 13.733 7.289 -0.356 1.00 2.17 C ATOM 780 CD1 ILE A 53 12.018 9.286 1.147 1.00 2.74 C ATOM 0 H ILE A 53 10.970 5.504 1.918 1.00 1.59 H new ATOM 0 HA ILE A 53 11.403 5.755 -0.847 1.00 1.69 H new ATOM 0 HB ILE A 53 12.973 6.722 1.557 1.00 2.06 H new ATOM 0 HG12 ILE A 53 11.123 8.129 -0.406 1.00 2.36 H new ATOM 0 HG13 ILE A 53 10.679 7.626 1.212 1.00 2.36 H new ATOM 0 HG21 ILE A 53 14.156 8.227 0.003 1.00 2.17 H new ATOM 0 HG22 ILE A 53 14.502 6.517 -0.346 1.00 2.17 H new ATOM 0 HG23 ILE A 53 13.366 7.422 -1.373 1.00 2.17 H new ATOM 0 HD11 ILE A 53 11.207 10.014 1.151 1.00 2.74 H new ATOM 0 HD12 ILE A 53 12.380 9.141 2.165 1.00 2.74 H new ATOM 0 HD13 ILE A 53 12.832 9.652 0.521 1.00 2.74 H new ATOM 792 N ALA A 54 13.574 3.897 0.828 1.00 1.41 N ATOM 793 CA ALA A 54 14.578 2.848 0.679 1.00 1.31 C ATOM 794 C ALA A 54 13.964 1.617 0.021 1.00 1.00 C ATOM 795 O ALA A 54 14.656 0.835 -0.635 1.00 0.95 O ATOM 796 CB ALA A 54 15.175 2.486 2.029 1.00 1.50 C ATOM 0 H ALA A 54 13.312 4.096 1.793 1.00 1.41 H new ATOM 0 HA ALA A 54 15.377 3.222 0.039 1.00 1.31 H new ATOM 0 HB1 ALA A 54 15.921 1.702 1.898 1.00 1.50 H new ATOM 0 HB2 ALA A 54 15.646 3.366 2.467 1.00 1.50 H new ATOM 0 HB3 ALA A 54 14.387 2.129 2.692 1.00 1.50 H new ATOM 802 N LEU A 55 12.655 1.475 0.190 1.00 0.89 N ATOM 803 CA LEU A 55 11.909 0.341 -0.337 1.00 0.74 C ATOM 804 C LEU A 55 11.798 0.443 -1.853 1.00 0.70 C ATOM 805 O LEU A 55 11.654 -0.551 -2.559 1.00 0.73 O ATOM 806 CB LEU A 55 10.515 0.301 0.291 1.00 0.84 C ATOM 807 CG LEU A 55 10.130 -1.021 0.946 1.00 0.76 C ATOM 808 CD1 LEU A 55 10.112 -2.130 -0.087 1.00 1.32 C ATOM 809 CD2 LEU A 55 11.091 -1.350 2.078 1.00 1.01 C ATOM 0 H LEU A 55 12.080 2.146 0.699 1.00 0.89 H new ATOM 0 HA LEU A 55 12.438 -0.578 -0.087 1.00 0.74 H new ATOM 0 HB2 LEU A 55 10.450 1.090 1.040 1.00 0.84 H new ATOM 0 HB3 LEU A 55 9.781 0.532 -0.481 1.00 0.84 H new ATOM 0 HG LEU A 55 9.129 -0.928 1.367 1.00 0.76 H new ATOM 0 HD11 LEU A 55 9.836 -3.069 0.392 1.00 1.32 H new ATOM 0 HD12 LEU A 55 9.386 -1.892 -0.864 1.00 1.32 H new ATOM 0 HD13 LEU A 55 11.102 -2.228 -0.533 1.00 1.32 H new ATOM 0 HD21 LEU A 55 10.803 -2.296 2.536 1.00 1.01 H new ATOM 0 HD22 LEU A 55 12.104 -1.431 1.683 1.00 1.01 H new ATOM 0 HD23 LEU A 55 11.055 -0.559 2.827 1.00 1.01 H new ATOM 821 N LEU A 56 11.790 1.663 -2.337 1.00 0.81 N ATOM 822 CA LEU A 56 11.847 1.935 -3.742 1.00 0.89 C ATOM 823 C LEU A 56 13.293 1.932 -4.232 1.00 0.83 C ATOM 824 O LEU A 56 13.600 1.426 -5.308 1.00 0.90 O ATOM 825 CB LEU A 56 11.186 3.274 -3.966 1.00 1.13 C ATOM 826 CG LEU A 56 11.661 4.047 -5.174 1.00 1.15 C ATOM 827 CD1 LEU A 56 11.266 3.340 -6.468 1.00 1.28 C ATOM 828 CD2 LEU A 56 11.118 5.468 -5.148 1.00 1.68 C ATOM 0 H LEU A 56 11.743 2.499 -1.755 1.00 0.81 H new ATOM 0 HA LEU A 56 11.326 1.164 -4.310 1.00 0.89 H new ATOM 0 HB2 LEU A 56 10.111 3.117 -4.058 1.00 1.13 H new ATOM 0 HB3 LEU A 56 11.343 3.889 -3.080 1.00 1.13 H new ATOM 0 HG LEU A 56 12.749 4.095 -5.138 1.00 1.15 H new ATOM 0 HD11 LEU A 56 11.620 3.918 -7.321 1.00 1.28 H new ATOM 0 HD12 LEU A 56 11.714 2.347 -6.491 1.00 1.28 H new ATOM 0 HD13 LEU A 56 10.181 3.250 -6.517 1.00 1.28 H new ATOM 0 HD21 LEU A 56 11.471 6.009 -6.026 1.00 1.68 H new ATOM 0 HD22 LEU A 56 10.028 5.441 -5.152 1.00 1.68 H new ATOM 0 HD23 LEU A 56 11.465 5.974 -4.247 1.00 1.68 H new ATOM 840 N ARG A 57 14.170 2.502 -3.414 1.00 0.82 N ATOM 841 CA ARG A 57 15.592 2.630 -3.735 1.00 0.88 C ATOM 842 C ARG A 57 16.216 1.267 -4.027 1.00 0.87 C ATOM 843 O ARG A 57 17.175 1.153 -4.789 1.00 0.98 O ATOM 844 CB ARG A 57 16.306 3.286 -2.556 1.00 1.09 C ATOM 845 CG ARG A 57 17.760 3.636 -2.825 1.00 1.53 C ATOM 846 CD ARG A 57 18.390 4.311 -1.618 1.00 1.95 C ATOM 847 NE ARG A 57 18.507 3.405 -0.473 1.00 2.59 N ATOM 848 CZ ARG A 57 18.795 3.801 0.768 1.00 3.23 C ATOM 849 NH1 ARG A 57 18.919 5.094 1.043 1.00 3.41 N ATOM 850 NH2 ARG A 57 18.940 2.903 1.738 1.00 4.07 N ATOM 0 H ARG A 57 13.917 2.891 -2.506 1.00 0.82 H new ATOM 0 HA ARG A 57 15.699 3.244 -4.629 1.00 0.88 H new ATOM 0 HB2 ARG A 57 15.770 4.194 -2.281 1.00 1.09 H new ATOM 0 HB3 ARG A 57 16.258 2.616 -1.698 1.00 1.09 H new ATOM 0 HG2 ARG A 57 18.316 2.731 -3.072 1.00 1.53 H new ATOM 0 HG3 ARG A 57 17.825 4.296 -3.690 1.00 1.53 H new ATOM 0 HD2 ARG A 57 19.379 4.683 -1.887 1.00 1.95 H new ATOM 0 HD3 ARG A 57 17.791 5.176 -1.334 1.00 1.95 H new ATOM 0 HE ARG A 57 18.359 2.409 -0.635 1.00 2.59 H new ATOM 0 HH11 ARG A 57 18.794 5.787 0.305 1.00 3.41 H new ATOM 0 HH12 ARG A 57 19.139 5.395 1.992 1.00 3.41 H new ATOM 0 HH21 ARG A 57 18.831 1.910 1.534 1.00 4.07 H new ATOM 0 HH22 ARG A 57 19.160 3.208 2.686 1.00 4.07 H new ATOM 864 N GLN A 58 15.656 0.244 -3.407 1.00 0.86 N ATOM 865 CA GLN A 58 16.111 -1.127 -3.595 1.00 1.07 C ATOM 866 C GLN A 58 15.809 -1.632 -5.008 1.00 1.15 C ATOM 867 O GLN A 58 16.419 -2.592 -5.479 1.00 1.40 O ATOM 868 CB GLN A 58 15.424 -2.030 -2.576 1.00 1.15 C ATOM 869 CG GLN A 58 13.944 -2.190 -2.816 1.00 0.96 C ATOM 870 CD GLN A 58 13.307 -3.216 -1.911 1.00 1.15 C ATOM 871 OE1 GLN A 58 13.815 -3.531 -0.839 1.00 1.75 O ATOM 872 NE2 GLN A 58 12.150 -3.691 -2.314 1.00 0.91 N ATOM 0 H GLN A 58 14.874 0.337 -2.759 1.00 0.86 H new ATOM 0 HA GLN A 58 17.192 -1.149 -3.453 1.00 1.07 H new ATOM 0 HB2 GLN A 58 15.896 -3.012 -2.597 1.00 1.15 H new ATOM 0 HB3 GLN A 58 15.580 -1.622 -1.577 1.00 1.15 H new ATOM 0 HG2 GLN A 58 13.452 -1.229 -2.669 1.00 0.96 H new ATOM 0 HG3 GLN A 58 13.779 -2.477 -3.854 1.00 0.96 H new ATOM 0 HE21 GLN A 58 11.765 -3.401 -3.213 1.00 0.91 H new ATOM 0 HE22 GLN A 58 11.637 -4.349 -1.728 1.00 0.91 H new ATOM 881 N LEU A 59 14.865 -0.984 -5.675 1.00 1.05 N ATOM 882 CA LEU A 59 14.423 -1.417 -6.993 1.00 1.27 C ATOM 883 C LEU A 59 15.266 -0.766 -8.086 1.00 1.30 C ATOM 884 O LEU A 59 15.133 -1.095 -9.265 1.00 1.61 O ATOM 885 CB LEU A 59 12.944 -1.066 -7.182 1.00 1.40 C ATOM 886 CG LEU A 59 12.271 -1.677 -8.411 1.00 1.61 C ATOM 887 CD1 LEU A 59 12.144 -3.184 -8.255 1.00 1.94 C ATOM 888 CD2 LEU A 59 10.906 -1.049 -8.638 1.00 2.47 C ATOM 0 H LEU A 59 14.389 -0.153 -5.324 1.00 1.05 H new ATOM 0 HA LEU A 59 14.547 -2.497 -7.067 1.00 1.27 H new ATOM 0 HB2 LEU A 59 12.397 -1.385 -6.295 1.00 1.40 H new ATOM 0 HB3 LEU A 59 12.851 0.018 -7.241 1.00 1.40 H new ATOM 0 HG LEU A 59 12.894 -1.472 -9.282 1.00 1.61 H new ATOM 0 HD11 LEU A 59 11.663 -3.602 -9.139 1.00 1.94 H new ATOM 0 HD12 LEU A 59 13.135 -3.623 -8.140 1.00 1.94 H new ATOM 0 HD13 LEU A 59 11.543 -3.409 -7.374 1.00 1.94 H new ATOM 0 HD21 LEU A 59 10.441 -1.496 -9.517 1.00 2.47 H new ATOM 0 HD22 LEU A 59 10.276 -1.224 -7.766 1.00 2.47 H new ATOM 0 HD23 LEU A 59 11.020 0.024 -8.794 1.00 2.47 H new ATOM 900 N GLN A 60 16.135 0.153 -7.687 1.00 1.09 N ATOM 901 CA GLN A 60 16.998 0.852 -8.632 1.00 1.19 C ATOM 902 C GLN A 60 18.020 -0.107 -9.237 1.00 1.31 C ATOM 903 O GLN A 60 18.812 -0.717 -8.513 1.00 1.42 O ATOM 904 CB GLN A 60 17.726 2.003 -7.948 1.00 1.31 C ATOM 905 CG GLN A 60 16.799 3.042 -7.347 1.00 1.43 C ATOM 906 CD GLN A 60 15.918 3.716 -8.382 1.00 1.79 C ATOM 907 OE1 GLN A 60 14.809 3.264 -8.665 1.00 2.58 O ATOM 908 NE2 GLN A 60 16.406 4.803 -8.957 1.00 1.95 N ATOM 0 H GLN A 60 16.262 0.433 -6.714 1.00 1.09 H new ATOM 0 HA GLN A 60 16.368 1.252 -9.427 1.00 1.19 H new ATOM 0 HB2 GLN A 60 18.364 1.601 -7.161 1.00 1.31 H new ATOM 0 HB3 GLN A 60 18.380 2.489 -8.672 1.00 1.31 H new ATOM 0 HG2 GLN A 60 16.169 2.568 -6.594 1.00 1.43 H new ATOM 0 HG3 GLN A 60 17.393 3.799 -6.835 1.00 1.43 H new ATOM 0 HE21 GLN A 60 17.330 5.147 -8.696 1.00 1.95 H new ATOM 0 HE22 GLN A 60 15.858 5.297 -9.662 1.00 1.95 H new ATOM 1254 N GLY B 8 -19.566 0.311 -7.660 1.00 4.66 N ATOM 1255 CA GLY B 8 -20.051 -0.401 -6.497 1.00 4.09 C ATOM 1256 C GLY B 8 -19.411 -1.766 -6.357 1.00 4.04 C ATOM 1257 O GLY B 8 -19.140 -2.217 -5.248 1.00 3.54 O ATOM 0 HA2 GLY B 8 -19.849 0.187 -5.602 1.00 4.09 H new ATOM 0 HA3 GLY B 8 -21.133 -0.514 -6.567 1.00 4.09 H new ATOM 1261 N ALA B 9 -19.164 -2.420 -7.491 1.00 4.69 N ATOM 1262 CA ALA B 9 -18.498 -3.719 -7.503 1.00 4.91 C ATOM 1263 C ALA B 9 -17.125 -3.627 -6.846 1.00 4.50 C ATOM 1264 O ALA B 9 -16.746 -4.487 -6.051 1.00 4.40 O ATOM 1265 CB ALA B 9 -18.363 -4.243 -8.926 1.00 5.78 C ATOM 0 H ALA B 9 -19.416 -2.069 -8.415 1.00 4.69 H new ATOM 0 HA ALA B 9 -19.111 -4.416 -6.933 1.00 4.91 H new ATOM 0 HB1 ALA B 9 -17.864 -5.212 -8.911 1.00 5.78 H new ATOM 0 HB2 ALA B 9 -19.353 -4.351 -9.369 1.00 5.78 H new ATOM 0 HB3 ALA B 9 -17.775 -3.541 -9.518 1.00 5.78 H new ATOM 1271 N LEU B 10 -16.392 -2.563 -7.171 1.00 4.38 N ATOM 1272 CA LEU B 10 -15.080 -2.329 -6.585 1.00 3.97 C ATOM 1273 C LEU B 10 -15.209 -2.099 -5.086 1.00 3.17 C ATOM 1274 O LEU B 10 -14.492 -2.708 -4.295 1.00 2.96 O ATOM 1275 CB LEU B 10 -14.402 -1.124 -7.247 1.00 4.13 C ATOM 1276 CG LEU B 10 -13.063 -0.700 -6.635 1.00 3.77 C ATOM 1277 CD1 LEU B 10 -12.030 -1.811 -6.762 1.00 3.68 C ATOM 1278 CD2 LEU B 10 -12.564 0.578 -7.290 1.00 4.12 C ATOM 0 H LEU B 10 -16.688 -1.851 -7.838 1.00 4.38 H new ATOM 0 HA LEU B 10 -14.463 -3.211 -6.756 1.00 3.97 H new ATOM 0 HB2 LEU B 10 -14.243 -1.353 -8.301 1.00 4.13 H new ATOM 0 HB3 LEU B 10 -15.086 -0.276 -7.204 1.00 4.13 H new ATOM 0 HG LEU B 10 -13.217 -0.507 -5.573 1.00 3.77 H new ATOM 0 HD11 LEU B 10 -11.089 -1.485 -6.320 1.00 3.68 H new ATOM 0 HD12 LEU B 10 -12.386 -2.700 -6.242 1.00 3.68 H new ATOM 0 HD13 LEU B 10 -11.875 -2.045 -7.815 1.00 3.68 H new ATOM 0 HD21 LEU B 10 -11.612 0.867 -6.845 1.00 4.12 H new ATOM 0 HD22 LEU B 10 -12.429 0.411 -8.359 1.00 4.12 H new ATOM 0 HD23 LEU B 10 -13.293 1.374 -7.137 1.00 4.12 H new ATOM 1290 N LEU B 11 -16.156 -1.250 -4.712 1.00 2.86 N ATOM 1291 CA LEU B 11 -16.405 -0.929 -3.312 1.00 2.18 C ATOM 1292 C LEU B 11 -16.770 -2.192 -2.528 1.00 2.26 C ATOM 1293 O LEU B 11 -16.193 -2.474 -1.477 1.00 2.13 O ATOM 1294 CB LEU B 11 -17.532 0.120 -3.235 1.00 2.17 C ATOM 1295 CG LEU B 11 -17.770 0.791 -1.873 1.00 1.84 C ATOM 1296 CD1 LEU B 11 -18.550 -0.116 -0.933 1.00 1.83 C ATOM 1297 CD2 LEU B 11 -16.451 1.202 -1.245 1.00 1.71 C ATOM 0 H LEU B 11 -16.771 -0.766 -5.366 1.00 2.86 H new ATOM 0 HA LEU B 11 -15.502 -0.517 -2.862 1.00 2.18 H new ATOM 0 HB2 LEU B 11 -17.318 0.901 -3.964 1.00 2.17 H new ATOM 0 HB3 LEU B 11 -18.461 -0.358 -3.544 1.00 2.17 H new ATOM 0 HG LEU B 11 -18.370 1.685 -2.044 1.00 1.84 H new ATOM 0 HD11 LEU B 11 -18.700 0.391 0.020 1.00 1.83 H new ATOM 0 HD12 LEU B 11 -19.518 -0.352 -1.375 1.00 1.83 H new ATOM 0 HD13 LEU B 11 -17.991 -1.038 -0.770 1.00 1.83 H new ATOM 0 HD21 LEU B 11 -16.639 1.675 -0.281 1.00 1.71 H new ATOM 0 HD22 LEU B 11 -15.826 0.320 -1.101 1.00 1.71 H new ATOM 0 HD23 LEU B 11 -15.939 1.906 -1.901 1.00 1.71 H new ATOM 1309 N ALA B 12 -17.709 -2.960 -3.066 1.00 2.76 N ATOM 1310 CA ALA B 12 -18.215 -4.149 -2.393 1.00 3.14 C ATOM 1311 C ALA B 12 -17.113 -5.170 -2.133 1.00 3.58 C ATOM 1312 O ALA B 12 -16.915 -5.599 -0.996 1.00 3.74 O ATOM 1313 CB ALA B 12 -19.337 -4.776 -3.206 1.00 3.68 C ATOM 0 H ALA B 12 -18.138 -2.778 -3.973 1.00 2.76 H new ATOM 0 HA ALA B 12 -18.605 -3.837 -1.424 1.00 3.14 H new ATOM 0 HB1 ALA B 12 -19.706 -5.664 -2.692 1.00 3.68 H new ATOM 0 HB2 ALA B 12 -20.149 -4.058 -3.319 1.00 3.68 H new ATOM 0 HB3 ALA B 12 -18.961 -5.056 -4.190 1.00 3.68 H new ATOM 1319 N HIS B 13 -16.379 -5.545 -3.176 1.00 3.94 N ATOM 1320 CA HIS B 13 -15.381 -6.602 -3.041 1.00 4.46 C ATOM 1321 C HIS B 13 -14.176 -6.120 -2.234 1.00 4.06 C ATOM 1322 O HIS B 13 -13.494 -6.921 -1.596 1.00 4.48 O ATOM 1323 CB HIS B 13 -14.955 -7.172 -4.409 1.00 5.05 C ATOM 1324 CG HIS B 13 -13.842 -6.441 -5.103 1.00 4.87 C ATOM 1325 ND1 HIS B 13 -13.849 -5.319 -5.856 1.00 4.94 N flip ATOM 1326 CD2 HIS B 13 -12.536 -6.880 -5.093 1.00 4.82 C flip ATOM 1327 CE1 HIS B 13 -12.563 -5.099 -6.282 1.00 4.81 C flip ATOM 1328 NE2 HIS B 13 -11.792 -6.054 -5.804 1.00 4.82 N flip ATOM 0 H HIS B 13 -16.453 -5.141 -4.110 1.00 3.94 H new ATOM 0 HA HIS B 13 -15.846 -7.419 -2.490 1.00 4.46 H new ATOM 0 HB2 HIS B 13 -14.652 -8.210 -4.271 1.00 5.05 H new ATOM 0 HB3 HIS B 13 -15.825 -7.179 -5.066 1.00 5.05 H new ATOM 0 HD1 HIS B 13 -14.662 -4.741 -6.069 1.00 4.94 H new ATOM 0 HD2 HIS B 13 -12.177 -7.762 -4.583 1.00 4.82 H new ATOM 0 HE1 HIS B 13 -12.237 -4.279 -6.905 1.00 4.81 H new ATOM 1337 N ALA B 14 -13.915 -4.815 -2.259 1.00 3.33 N ATOM 1338 CA ALA B 14 -12.829 -4.249 -1.468 1.00 2.95 C ATOM 1339 C ALA B 14 -13.136 -4.383 0.020 1.00 2.97 C ATOM 1340 O ALA B 14 -12.290 -4.827 0.798 1.00 3.30 O ATOM 1341 CB ALA B 14 -12.593 -2.792 -1.832 1.00 2.26 C ATOM 0 H ALA B 14 -14.436 -4.136 -2.814 1.00 3.33 H new ATOM 0 HA ALA B 14 -11.918 -4.805 -1.691 1.00 2.95 H new ATOM 0 HB1 ALA B 14 -11.778 -2.393 -1.228 1.00 2.26 H new ATOM 0 HB2 ALA B 14 -12.332 -2.718 -2.888 1.00 2.26 H new ATOM 0 HB3 ALA B 14 -13.500 -2.218 -1.642 1.00 2.26 H new ATOM 1347 N ALA B 15 -14.356 -4.009 0.401 1.00 2.80 N ATOM 1348 CA ALA B 15 -14.809 -4.145 1.783 1.00 3.07 C ATOM 1349 C ALA B 15 -14.901 -5.614 2.171 1.00 3.91 C ATOM 1350 O ALA B 15 -14.594 -5.992 3.303 1.00 4.37 O ATOM 1351 CB ALA B 15 -16.160 -3.464 1.969 1.00 2.79 C ATOM 0 H ALA B 15 -15.050 -3.608 -0.230 1.00 2.80 H new ATOM 0 HA ALA B 15 -14.082 -3.659 2.433 1.00 3.07 H new ATOM 0 HB1 ALA B 15 -16.484 -3.574 3.004 1.00 2.79 H new ATOM 0 HB2 ALA B 15 -16.070 -2.405 1.728 1.00 2.79 H new ATOM 0 HB3 ALA B 15 -16.894 -3.925 1.308 1.00 2.79 H new ATOM 1357 N SER B 16 -15.316 -6.438 1.214 1.00 4.22 N ATOM 1358 CA SER B 16 -15.415 -7.876 1.420 1.00 5.05 C ATOM 1359 C SER B 16 -14.059 -8.460 1.811 1.00 5.46 C ATOM 1360 O SER B 16 -13.974 -9.335 2.677 1.00 6.10 O ATOM 1361 CB SER B 16 -15.943 -8.559 0.151 1.00 5.36 C ATOM 1362 OG SER B 16 -16.108 -9.954 0.341 1.00 5.53 O ATOM 0 H SER B 16 -15.591 -6.130 0.281 1.00 4.22 H new ATOM 0 HA SER B 16 -16.115 -8.059 2.235 1.00 5.05 H new ATOM 0 HB2 SER B 16 -16.897 -8.114 -0.133 1.00 5.36 H new ATOM 0 HB3 SER B 16 -15.251 -8.382 -0.673 1.00 5.36 H new ATOM 0 HG SER B 16 -16.447 -10.359 -0.485 1.00 5.53 H new ATOM 1368 N LEU B 17 -12.998 -7.966 1.184 1.00 5.11 N ATOM 1369 CA LEU B 17 -11.653 -8.419 1.506 1.00 5.45 C ATOM 1370 C LEU B 17 -11.114 -7.691 2.728 1.00 5.30 C ATOM 1371 O LEU B 17 -10.260 -8.210 3.443 1.00 5.77 O ATOM 1372 CB LEU B 17 -10.709 -8.193 0.326 1.00 5.21 C ATOM 1373 CG LEU B 17 -11.067 -8.949 -0.952 1.00 5.62 C ATOM 1374 CD1 LEU B 17 -10.063 -8.634 -2.046 1.00 5.51 C ATOM 1375 CD2 LEU B 17 -11.116 -10.445 -0.692 1.00 6.49 C ATOM 0 H LEU B 17 -13.044 -7.255 0.454 1.00 5.11 H new ATOM 0 HA LEU B 17 -11.708 -9.486 1.722 1.00 5.45 H new ATOM 0 HB2 LEU B 17 -10.683 -7.127 0.102 1.00 5.21 H new ATOM 0 HB3 LEU B 17 -9.702 -8.480 0.628 1.00 5.21 H new ATOM 0 HG LEU B 17 -12.055 -8.626 -1.280 1.00 5.62 H new ATOM 0 HD11 LEU B 17 -10.329 -9.179 -2.952 1.00 5.51 H new ATOM 0 HD12 LEU B 17 -10.072 -7.563 -2.251 1.00 5.51 H new ATOM 0 HD13 LEU B 17 -9.066 -8.933 -1.722 1.00 5.51 H new ATOM 0 HD21 LEU B 17 -11.373 -10.966 -1.614 1.00 6.49 H new ATOM 0 HD22 LEU B 17 -10.142 -10.786 -0.342 1.00 6.49 H new ATOM 0 HD23 LEU B 17 -11.869 -10.658 0.067 1.00 6.49 H new ATOM 1387 N GLY B 18 -11.631 -6.500 2.972 1.00 4.72 N ATOM 1388 CA GLY B 18 -11.171 -5.708 4.094 1.00 4.73 C ATOM 1389 C GLY B 18 -9.936 -4.904 3.750 1.00 4.26 C ATOM 1390 O GLY B 18 -9.101 -4.633 4.610 1.00 4.55 O ATOM 0 H GLY B 18 -12.364 -6.064 2.412 1.00 4.72 H new ATOM 0 HA2 GLY B 18 -11.966 -5.034 4.412 1.00 4.73 H new ATOM 0 HA3 GLY B 18 -10.954 -6.364 4.937 1.00 4.73 H new ATOM 1394 N VAL B 19 -9.820 -4.530 2.482 1.00 3.60 N ATOM 1395 CA VAL B 19 -8.694 -3.731 2.020 1.00 3.07 C ATOM 1396 C VAL B 19 -8.899 -2.276 2.420 1.00 2.71 C ATOM 1397 O VAL B 19 -9.904 -1.660 2.064 1.00 2.39 O ATOM 1398 CB VAL B 19 -8.513 -3.828 0.488 1.00 2.62 C ATOM 1399 CG1 VAL B 19 -7.290 -3.046 0.036 1.00 2.10 C ATOM 1400 CG2 VAL B 19 -8.403 -5.281 0.047 1.00 3.34 C ATOM 0 H VAL B 19 -10.494 -4.768 1.754 1.00 3.60 H new ATOM 0 HA VAL B 19 -7.792 -4.123 2.489 1.00 3.07 H new ATOM 0 HB VAL B 19 -9.394 -3.390 0.019 1.00 2.62 H new ATOM 0 HG11 VAL B 19 -7.184 -3.130 -1.046 1.00 2.10 H new ATOM 0 HG12 VAL B 19 -7.407 -1.997 0.309 1.00 2.10 H new ATOM 0 HG13 VAL B 19 -6.401 -3.450 0.520 1.00 2.10 H new ATOM 0 HG21 VAL B 19 -8.276 -5.324 -1.035 1.00 3.34 H new ATOM 0 HG22 VAL B 19 -7.544 -5.744 0.532 1.00 3.34 H new ATOM 0 HG23 VAL B 19 -9.310 -5.816 0.328 1.00 3.34 H new ATOM 1410 N ARG B 20 -7.958 -1.738 3.172 1.00 2.95 N ATOM 1411 CA ARG B 20 -8.075 -0.385 3.694 1.00 3.09 C ATOM 1412 C ARG B 20 -6.892 0.462 3.245 1.00 2.88 C ATOM 1413 O ARG B 20 -5.745 0.022 3.311 1.00 2.99 O ATOM 1414 CB ARG B 20 -8.134 -0.418 5.222 1.00 3.99 C ATOM 1415 CG ARG B 20 -9.135 -1.417 5.780 1.00 4.33 C ATOM 1416 CD ARG B 20 -8.978 -1.569 7.280 1.00 5.13 C ATOM 1417 NE ARG B 20 -9.772 -2.673 7.811 1.00 5.49 N ATOM 1418 CZ ARG B 20 -9.570 -3.227 9.004 1.00 6.26 C ATOM 1419 NH1 ARG B 20 -8.616 -2.768 9.802 1.00 6.80 N ATOM 1420 NH2 ARG B 20 -10.322 -4.248 9.402 1.00 6.67 N ATOM 0 H ARG B 20 -7.098 -2.218 3.438 1.00 2.95 H new ATOM 0 HA ARG B 20 -8.993 0.058 3.307 1.00 3.09 H new ATOM 0 HB2 ARG B 20 -7.143 -0.657 5.609 1.00 3.99 H new ATOM 0 HB3 ARG B 20 -8.387 0.577 5.587 1.00 3.99 H new ATOM 0 HG2 ARG B 20 -10.148 -1.088 5.549 1.00 4.33 H new ATOM 0 HG3 ARG B 20 -8.996 -2.384 5.297 1.00 4.33 H new ATOM 0 HD2 ARG B 20 -7.927 -1.733 7.518 1.00 5.13 H new ATOM 0 HD3 ARG B 20 -9.275 -0.642 7.770 1.00 5.13 H new ATOM 0 HE ARG B 20 -10.527 -3.042 7.233 1.00 5.49 H new ATOM 0 HH11 ARG B 20 -8.033 -1.987 9.503 1.00 6.80 H new ATOM 0 HH12 ARG B 20 -8.465 -3.196 10.715 1.00 6.80 H new ATOM 0 HH21 ARG B 20 -11.056 -4.609 8.793 1.00 6.67 H new ATOM 0 HH22 ARG B 20 -10.165 -4.671 10.317 1.00 6.67 H new ATOM 1434 N LEU B 21 -7.175 1.665 2.766 1.00 2.77 N ATOM 1435 CA LEU B 21 -6.129 2.608 2.394 1.00 2.92 C ATOM 1436 C LEU B 21 -6.471 3.997 2.900 1.00 3.68 C ATOM 1437 O LEU B 21 -7.537 4.529 2.600 1.00 3.80 O ATOM 1438 CB LEU B 21 -5.930 2.668 0.874 1.00 2.28 C ATOM 1439 CG LEU B 21 -5.319 1.423 0.227 1.00 1.58 C ATOM 1440 CD1 LEU B 21 -6.388 0.394 -0.104 1.00 1.07 C ATOM 1441 CD2 LEU B 21 -4.545 1.805 -1.021 1.00 1.46 C ATOM 0 H LEU B 21 -8.124 2.012 2.625 1.00 2.77 H new ATOM 0 HA LEU B 21 -5.203 2.259 2.851 1.00 2.92 H new ATOM 0 HB2 LEU B 21 -6.897 2.858 0.408 1.00 2.28 H new ATOM 0 HB3 LEU B 21 -5.293 3.522 0.645 1.00 2.28 H new ATOM 0 HG LEU B 21 -4.632 0.972 0.943 1.00 1.58 H new ATOM 0 HD11 LEU B 21 -5.923 -0.479 -0.562 1.00 1.07 H new ATOM 0 HD12 LEU B 21 -6.900 0.094 0.810 1.00 1.07 H new ATOM 0 HD13 LEU B 21 -7.108 0.828 -0.798 1.00 1.07 H new ATOM 0 HD21 LEU B 21 -4.116 0.910 -1.471 1.00 1.46 H new ATOM 0 HD22 LEU B 21 -5.217 2.283 -1.734 1.00 1.46 H new ATOM 0 HD23 LEU B 21 -3.746 2.497 -0.756 1.00 1.46 H new ATOM 1453 N TRP B 22 -5.565 4.586 3.664 1.00 4.27 N ATOM 1454 CA TRP B 22 -5.773 5.923 4.191 1.00 5.07 C ATOM 1455 C TRP B 22 -4.466 6.703 4.185 1.00 5.46 C ATOM 1456 O TRP B 22 -3.399 6.151 4.452 1.00 5.34 O ATOM 1457 CB TRP B 22 -6.365 5.865 5.607 1.00 5.66 C ATOM 1458 CG TRP B 22 -5.477 5.213 6.630 1.00 5.95 C ATOM 1459 CD1 TRP B 22 -4.696 5.845 7.553 1.00 6.65 C ATOM 1460 CD2 TRP B 22 -5.280 3.806 6.833 1.00 5.65 C ATOM 1461 NE1 TRP B 22 -4.030 4.921 8.321 1.00 6.80 N ATOM 1462 CE2 TRP B 22 -4.373 3.662 7.900 1.00 6.24 C ATOM 1463 CE3 TRP B 22 -5.788 2.655 6.224 1.00 5.04 C ATOM 1464 CZ2 TRP B 22 -3.957 2.414 8.361 1.00 6.30 C ATOM 1465 CZ3 TRP B 22 -5.374 1.419 6.681 1.00 5.15 C ATOM 1466 CH2 TRP B 22 -4.472 1.306 7.743 1.00 5.80 C ATOM 0 H TRP B 22 -4.679 4.158 3.932 1.00 4.27 H new ATOM 0 HA TRP B 22 -6.486 6.439 3.549 1.00 5.07 H new ATOM 0 HB2 TRP B 22 -6.590 6.880 5.934 1.00 5.66 H new ATOM 0 HB3 TRP B 22 -7.311 5.325 5.569 1.00 5.66 H new ATOM 0 HD1 TRP B 22 -4.613 6.916 7.664 1.00 6.65 H new ATOM 0 HE1 TRP B 22 -3.385 5.137 9.081 1.00 6.80 H new ATOM 0 HE3 TRP B 22 -6.493 2.731 5.409 1.00 5.04 H new ATOM 0 HZ2 TRP B 22 -3.254 2.324 9.176 1.00 6.30 H new ATOM 0 HZ3 TRP B 22 -5.754 0.524 6.210 1.00 5.15 H new ATOM 0 HH2 TRP B 22 -4.175 0.325 8.083 1.00 5.80 H new ATOM 1477 N VAL B 23 -4.542 7.980 3.850 1.00 5.98 N ATOM 1478 CA VAL B 23 -3.359 8.818 3.820 1.00 6.42 C ATOM 1479 C VAL B 23 -3.059 9.360 5.211 1.00 7.21 C ATOM 1480 O VAL B 23 -3.907 9.988 5.849 1.00 7.74 O ATOM 1481 CB VAL B 23 -3.495 9.974 2.798 1.00 6.77 C ATOM 1482 CG1 VAL B 23 -4.731 10.820 3.078 1.00 7.35 C ATOM 1483 CG2 VAL B 23 -2.240 10.836 2.783 1.00 7.25 C ATOM 0 H VAL B 23 -5.408 8.456 3.596 1.00 5.98 H new ATOM 0 HA VAL B 23 -2.523 8.198 3.495 1.00 6.42 H new ATOM 0 HB VAL B 23 -3.615 9.530 1.810 1.00 6.77 H new ATOM 0 HG11 VAL B 23 -4.797 11.622 2.343 1.00 7.35 H new ATOM 0 HG12 VAL B 23 -5.622 10.195 3.014 1.00 7.35 H new ATOM 0 HG13 VAL B 23 -4.660 11.249 4.078 1.00 7.35 H new ATOM 0 HG21 VAL B 23 -2.360 11.641 2.058 1.00 7.25 H new ATOM 0 HG22 VAL B 23 -2.079 11.261 3.774 1.00 7.25 H new ATOM 0 HG23 VAL B 23 -1.381 10.224 2.507 1.00 7.25 H new ATOM 1493 N GLU B 24 -1.860 9.086 5.692 1.00 7.30 N ATOM 1494 CA GLU B 24 -1.450 9.537 7.006 1.00 8.08 C ATOM 1495 C GLU B 24 -0.356 10.589 6.848 1.00 8.45 C ATOM 1496 O GLU B 24 0.805 10.261 6.573 1.00 8.09 O ATOM 1497 CB GLU B 24 -0.960 8.340 7.831 1.00 7.99 C ATOM 1498 CG GLU B 24 -1.074 8.511 9.341 1.00 8.87 C ATOM 1499 CD GLU B 24 -0.229 9.642 9.886 1.00 9.06 C ATOM 1500 OE1 GLU B 24 1.007 9.596 9.730 1.00 9.18 O ATOM 1501 OE2 GLU B 24 -0.798 10.576 10.489 1.00 9.44 O ATOM 0 H GLU B 24 -1.152 8.551 5.189 1.00 7.30 H new ATOM 0 HA GLU B 24 -2.291 9.986 7.534 1.00 8.08 H new ATOM 0 HB2 GLU B 24 -1.528 7.457 7.536 1.00 7.99 H new ATOM 0 HB3 GLU B 24 0.083 8.147 7.580 1.00 7.99 H new ATOM 0 HG2 GLU B 24 -2.117 8.690 9.601 1.00 8.87 H new ATOM 0 HG3 GLU B 24 -0.779 7.581 9.827 1.00 8.87 H new ATOM 1508 N GLY B 25 -0.746 11.851 6.973 1.00 9.20 N ATOM 1509 CA GLY B 25 0.185 12.946 6.791 1.00 9.66 C ATOM 1510 C GLY B 25 0.618 13.093 5.347 1.00 9.29 C ATOM 1511 O GLY B 25 0.013 13.847 4.580 1.00 9.46 O ATOM 0 H GLY B 25 -1.699 12.137 7.199 1.00 9.20 H new ATOM 0 HA2 GLY B 25 -0.278 13.874 7.126 1.00 9.66 H new ATOM 0 HA3 GLY B 25 1.062 12.783 7.417 1.00 9.66 H new ATOM 1515 N GLU B 26 1.661 12.368 4.979 1.00 8.83 N ATOM 1516 CA GLU B 26 2.181 12.393 3.619 1.00 8.54 C ATOM 1517 C GLU B 26 2.039 11.025 2.962 1.00 7.58 C ATOM 1518 O GLU B 26 1.825 10.914 1.752 1.00 7.39 O ATOM 1519 CB GLU B 26 3.661 12.792 3.630 1.00 8.75 C ATOM 1520 CG GLU B 26 4.352 12.623 2.284 1.00 9.32 C ATOM 1521 CD GLU B 26 5.854 12.501 2.408 1.00 8.94 C ATOM 1522 OE1 GLU B 26 6.329 11.461 2.908 1.00 9.25 O ATOM 1523 OE2 GLU B 26 6.571 13.433 1.992 1.00 9.09 O ATOM 0 H GLU B 26 2.170 11.748 5.609 1.00 8.83 H new ATOM 0 HA GLU B 26 1.606 13.123 3.050 1.00 8.54 H new ATOM 0 HB2 GLU B 26 3.745 13.833 3.943 1.00 8.75 H new ATOM 0 HB3 GLU B 26 4.184 12.192 4.375 1.00 8.75 H new ATOM 0 HG2 GLU B 26 3.960 11.735 1.788 1.00 9.32 H new ATOM 0 HG3 GLU B 26 4.112 13.475 1.648 1.00 9.32 H new ATOM 1530 N ARG B 27 2.130 9.979 3.767 1.00 7.08 N ATOM 1531 CA ARG B 27 2.286 8.642 3.229 1.00 6.17 C ATOM 1532 C ARG B 27 1.003 7.833 3.354 1.00 5.81 C ATOM 1533 O ARG B 27 0.402 7.752 4.428 1.00 6.17 O ATOM 1534 CB ARG B 27 3.436 7.927 3.938 1.00 5.82 C ATOM 1535 CG ARG B 27 3.995 6.744 3.164 1.00 5.05 C ATOM 1536 CD ARG B 27 4.500 7.163 1.788 1.00 5.18 C ATOM 1537 NE ARG B 27 5.380 8.338 1.849 1.00 5.89 N ATOM 1538 CZ ARG B 27 6.449 8.517 1.075 1.00 6.56 C ATOM 1539 NH1 ARG B 27 6.827 7.571 0.220 1.00 6.63 N ATOM 1540 NH2 ARG B 27 7.145 9.641 1.167 1.00 7.34 N ATOM 0 H ARG B 27 2.099 10.030 4.785 1.00 7.08 H new ATOM 0 HA ARG B 27 2.516 8.731 2.167 1.00 6.17 H new ATOM 0 HB2 ARG B 27 4.239 8.642 4.120 1.00 5.82 H new ATOM 0 HB3 ARG B 27 3.091 7.581 4.912 1.00 5.82 H new ATOM 0 HG2 ARG B 27 4.810 6.291 3.729 1.00 5.05 H new ATOM 0 HG3 ARG B 27 3.222 5.983 3.053 1.00 5.05 H new ATOM 0 HD2 ARG B 27 5.039 6.332 1.333 1.00 5.18 H new ATOM 0 HD3 ARG B 27 3.649 7.383 1.143 1.00 5.18 H new ATOM 0 HE ARG B 27 5.157 9.065 2.529 1.00 5.89 H new ATOM 0 HH11 ARG B 27 6.297 6.702 0.154 1.00 6.63 H new ATOM 0 HH12 ARG B 27 7.647 7.715 -0.370 1.00 6.63 H new ATOM 0 HH21 ARG B 27 6.861 10.364 1.828 1.00 7.34 H new ATOM 0 HH22 ARG B 27 7.965 9.783 0.577 1.00 7.34 H new ATOM 1554 N LEU B 28 0.593 7.261 2.231 1.00 5.18 N ATOM 1555 CA LEU B 28 -0.548 6.360 2.177 1.00 4.75 C ATOM 1556 C LEU B 28 -0.245 5.097 2.986 1.00 4.35 C ATOM 1557 O LEU B 28 0.758 4.424 2.749 1.00 3.95 O ATOM 1558 CB LEU B 28 -0.834 6.019 0.698 1.00 4.29 C ATOM 1559 CG LEU B 28 -2.150 5.284 0.381 1.00 3.68 C ATOM 1560 CD1 LEU B 28 -2.096 3.827 0.805 1.00 3.48 C ATOM 1561 CD2 LEU B 28 -3.331 5.985 1.033 1.00 3.83 C ATOM 0 H LEU B 28 1.044 7.410 1.329 1.00 5.18 H new ATOM 0 HA LEU B 28 -1.430 6.832 2.610 1.00 4.75 H new ATOM 0 HB2 LEU B 28 -0.823 6.949 0.130 1.00 4.29 H new ATOM 0 HB3 LEU B 28 -0.010 5.409 0.328 1.00 4.29 H new ATOM 0 HG LEU B 28 -2.284 5.309 -0.700 1.00 3.68 H new ATOM 0 HD11 LEU B 28 -3.043 3.343 0.565 1.00 3.48 H new ATOM 0 HD12 LEU B 28 -1.287 3.324 0.276 1.00 3.48 H new ATOM 0 HD13 LEU B 28 -1.920 3.767 1.879 1.00 3.48 H new ATOM 0 HD21 LEU B 28 -4.249 5.448 0.795 1.00 3.83 H new ATOM 0 HD22 LEU B 28 -3.191 6.004 2.114 1.00 3.83 H new ATOM 0 HD23 LEU B 28 -3.400 7.006 0.658 1.00 3.83 H new ATOM 1573 N ARG B 29 -1.097 4.803 3.956 1.00 4.62 N ATOM 1574 CA ARG B 29 -0.979 3.580 4.735 1.00 4.54 C ATOM 1575 C ARG B 29 -1.887 2.507 4.149 1.00 3.87 C ATOM 1576 O ARG B 29 -3.069 2.756 3.893 1.00 3.74 O ATOM 1577 CB ARG B 29 -1.341 3.825 6.200 1.00 5.38 C ATOM 1578 CG ARG B 29 -0.147 4.043 7.121 1.00 6.16 C ATOM 1579 CD ARG B 29 0.639 5.296 6.766 1.00 6.30 C ATOM 1580 NE ARG B 29 1.700 5.563 7.738 1.00 6.97 N ATOM 1581 CZ ARG B 29 2.348 6.725 7.841 1.00 7.39 C ATOM 1582 NH1 ARG B 29 2.067 7.721 7.013 1.00 7.29 N ATOM 1583 NH2 ARG B 29 3.283 6.884 8.770 1.00 8.07 N ATOM 0 H ARG B 29 -1.881 5.398 4.223 1.00 4.62 H new ATOM 0 HA ARG B 29 0.057 3.244 4.692 1.00 4.54 H new ATOM 0 HB2 ARG B 29 -1.992 4.697 6.259 1.00 5.38 H new ATOM 0 HB3 ARG B 29 -1.915 2.974 6.566 1.00 5.38 H new ATOM 0 HG2 ARG B 29 -0.495 4.116 8.151 1.00 6.16 H new ATOM 0 HG3 ARG B 29 0.512 3.177 7.068 1.00 6.16 H new ATOM 0 HD2 ARG B 29 1.075 5.183 5.773 1.00 6.30 H new ATOM 0 HD3 ARG B 29 -0.037 6.150 6.722 1.00 6.30 H new ATOM 0 HE ARG B 29 1.961 4.813 8.378 1.00 6.97 H new ATOM 0 HH11 ARG B 29 1.353 7.601 6.294 1.00 7.29 H new ATOM 0 HH12 ARG B 29 2.564 8.608 7.095 1.00 7.29 H new ATOM 0 HH21 ARG B 29 3.506 6.118 9.405 1.00 8.07 H new ATOM 0 HH22 ARG B 29 3.778 7.772 8.848 1.00 8.07 H new ATOM 1597 N PHE B 30 -1.329 1.327 3.935 1.00 3.54 N ATOM 1598 CA PHE B 30 -2.059 0.235 3.305 1.00 3.01 C ATOM 1599 C PHE B 30 -2.422 -0.824 4.345 1.00 3.62 C ATOM 1600 O PHE B 30 -1.719 -0.995 5.342 1.00 4.16 O ATOM 1601 CB PHE B 30 -1.199 -0.391 2.201 1.00 2.37 C ATOM 1602 CG PHE B 30 -1.971 -0.815 0.979 1.00 1.77 C ATOM 1603 CD1 PHE B 30 -2.999 -1.739 1.065 1.00 1.94 C ATOM 1604 CD2 PHE B 30 -1.654 -0.289 -0.263 1.00 2.01 C ATOM 1605 CE1 PHE B 30 -3.699 -2.125 -0.060 1.00 1.84 C ATOM 1606 CE2 PHE B 30 -2.348 -0.673 -1.392 1.00 1.96 C ATOM 1607 CZ PHE B 30 -3.372 -1.594 -1.293 1.00 1.59 C ATOM 0 H PHE B 30 -0.368 1.098 4.189 1.00 3.54 H new ATOM 0 HA PHE B 30 -2.977 0.627 2.867 1.00 3.01 H new ATOM 0 HB2 PHE B 30 -0.434 0.326 1.902 1.00 2.37 H new ATOM 0 HB3 PHE B 30 -0.681 -1.259 2.608 1.00 2.37 H new ATOM 0 HD1 PHE B 30 -3.256 -2.163 2.025 1.00 1.94 H new ATOM 0 HD2 PHE B 30 -0.853 0.431 -0.348 1.00 2.01 H new ATOM 0 HE1 PHE B 30 -4.502 -2.842 0.023 1.00 1.84 H new ATOM 0 HE2 PHE B 30 -2.090 -0.253 -2.353 1.00 1.96 H new ATOM 0 HZ PHE B 30 -3.915 -1.898 -2.176 1.00 1.59 H new ATOM 1617 N GLN B 31 -3.529 -1.510 4.120 1.00 3.62 N ATOM 1618 CA GLN B 31 -3.949 -2.601 4.984 1.00 4.28 C ATOM 1619 C GLN B 31 -4.713 -3.637 4.170 1.00 4.09 C ATOM 1620 O GLN B 31 -5.806 -3.361 3.676 1.00 3.68 O ATOM 1621 CB GLN B 31 -4.829 -2.069 6.119 1.00 4.83 C ATOM 1622 CG GLN B 31 -5.184 -3.111 7.164 1.00 5.54 C ATOM 1623 CD GLN B 31 -3.969 -3.643 7.903 1.00 6.28 C ATOM 1624 OE1 GLN B 31 -2.944 -2.814 8.047 1.00 6.66 O flip ATOM 1625 NE2 GLN B 31 -3.956 -4.791 8.346 1.00 6.72 N flip ATOM 0 H GLN B 31 -4.159 -1.329 3.339 1.00 3.62 H new ATOM 0 HA GLN B 31 -3.066 -3.069 5.419 1.00 4.28 H new ATOM 0 HB2 GLN B 31 -4.315 -1.241 6.606 1.00 4.83 H new ATOM 0 HB3 GLN B 31 -5.749 -1.667 5.694 1.00 4.83 H new ATOM 0 HG2 GLN B 31 -5.879 -2.676 7.883 1.00 5.54 H new ATOM 0 HG3 GLN B 31 -5.702 -3.940 6.682 1.00 5.54 H new ATOM 0 HE21 GLN B 31 -4.765 -5.398 8.214 1.00 6.72 H new ATOM 0 HE22 GLN B 31 -3.136 -5.136 8.845 1.00 6.72 H new ATOM 1634 N ALA B 32 -4.128 -4.815 4.009 1.00 4.50 N ATOM 1635 CA ALA B 32 -4.755 -5.876 3.240 1.00 4.62 C ATOM 1636 C ALA B 32 -4.368 -7.242 3.789 1.00 5.46 C ATOM 1637 O ALA B 32 -3.205 -7.479 4.111 1.00 5.75 O ATOM 1638 CB ALA B 32 -4.368 -5.767 1.774 1.00 4.15 C ATOM 0 H ALA B 32 -3.219 -5.059 4.402 1.00 4.50 H new ATOM 0 HA ALA B 32 -5.836 -5.766 3.325 1.00 4.62 H new ATOM 0 HB1 ALA B 32 -4.846 -6.569 1.211 1.00 4.15 H new ATOM 0 HB2 ALA B 32 -4.695 -4.804 1.382 1.00 4.15 H new ATOM 0 HB3 ALA B 32 -3.286 -5.850 1.676 1.00 4.15 H new ATOM 1644 N PRO B 33 -5.348 -8.147 3.934 1.00 5.89 N ATOM 1645 CA PRO B 33 -5.099 -9.522 4.383 1.00 6.71 C ATOM 1646 C PRO B 33 -4.166 -10.285 3.440 1.00 6.87 C ATOM 1647 O PRO B 33 -4.091 -9.991 2.242 1.00 6.45 O ATOM 1648 CB PRO B 33 -6.495 -10.157 4.387 1.00 6.98 C ATOM 1649 CG PRO B 33 -7.439 -9.007 4.458 1.00 6.45 C ATOM 1650 CD PRO B 33 -6.779 -7.897 3.696 1.00 5.63 C ATOM 0 HA PRO B 33 -4.603 -9.548 5.353 1.00 6.71 H new ATOM 0 HB2 PRO B 33 -6.662 -10.750 3.488 1.00 6.98 H new ATOM 0 HB3 PRO B 33 -6.622 -10.826 5.238 1.00 6.98 H new ATOM 0 HG2 PRO B 33 -8.404 -9.264 4.020 1.00 6.45 H new ATOM 0 HG3 PRO B 33 -7.626 -8.716 5.492 1.00 6.45 H new ATOM 0 HD2 PRO B 33 -7.025 -7.932 2.635 1.00 5.63 H new ATOM 0 HD3 PRO B 33 -7.085 -6.917 4.062 1.00 5.63 H new ATOM 1658 N PRO B 34 -3.447 -11.285 3.962 1.00 7.55 N ATOM 1659 CA PRO B 34 -2.496 -12.068 3.171 1.00 7.81 C ATOM 1660 C PRO B 34 -3.164 -12.800 2.011 1.00 8.02 C ATOM 1661 O PRO B 34 -4.108 -13.566 2.204 1.00 8.45 O ATOM 1662 CB PRO B 34 -1.922 -13.074 4.176 1.00 8.57 C ATOM 1663 CG PRO B 34 -2.899 -13.106 5.303 1.00 8.85 C ATOM 1664 CD PRO B 34 -3.510 -11.738 5.360 1.00 8.16 C ATOM 0 HA PRO B 34 -1.741 -11.432 2.710 1.00 7.81 H new ATOM 0 HB2 PRO B 34 -1.809 -14.060 3.725 1.00 8.57 H new ATOM 0 HB3 PRO B 34 -0.935 -12.766 4.520 1.00 8.57 H new ATOM 0 HG2 PRO B 34 -3.661 -13.867 5.137 1.00 8.85 H new ATOM 0 HG3 PRO B 34 -2.403 -13.351 6.242 1.00 8.85 H new ATOM 0 HD2 PRO B 34 -4.536 -11.770 5.727 1.00 8.16 H new ATOM 0 HD3 PRO B 34 -2.954 -11.076 6.024 1.00 8.16 H new ATOM 1672 N GLY B 35 -2.682 -12.538 0.804 1.00 7.75 N ATOM 1673 CA GLY B 35 -3.157 -13.266 -0.356 1.00 8.09 C ATOM 1674 C GLY B 35 -3.980 -12.416 -1.300 1.00 7.59 C ATOM 1675 O GLY B 35 -3.899 -12.583 -2.514 1.00 7.78 O ATOM 0 H GLY B 35 -1.970 -11.834 0.607 1.00 7.75 H new ATOM 0 HA2 GLY B 35 -2.302 -13.673 -0.896 1.00 8.09 H new ATOM 0 HA3 GLY B 35 -3.757 -14.113 -0.024 1.00 8.09 H new ATOM 1679 N VAL B 36 -4.757 -11.490 -0.755 1.00 7.00 N ATOM 1680 CA VAL B 36 -5.692 -10.710 -1.564 1.00 6.54 C ATOM 1681 C VAL B 36 -4.998 -9.560 -2.287 1.00 5.96 C ATOM 1682 O VAL B 36 -5.593 -8.905 -3.134 1.00 5.81 O ATOM 1683 CB VAL B 36 -6.849 -10.140 -0.712 1.00 6.15 C ATOM 1684 CG1 VAL B 36 -7.569 -11.257 0.027 1.00 6.78 C ATOM 1685 CG2 VAL B 36 -6.339 -9.086 0.262 1.00 5.59 C ATOM 0 H VAL B 36 -4.761 -11.259 0.239 1.00 7.00 H new ATOM 0 HA VAL B 36 -6.098 -11.401 -2.303 1.00 6.54 H new ATOM 0 HB VAL B 36 -7.561 -9.660 -1.383 1.00 6.15 H new ATOM 0 HG11 VAL B 36 -8.380 -10.836 0.621 1.00 6.78 H new ATOM 0 HG12 VAL B 36 -7.977 -11.966 -0.693 1.00 6.78 H new ATOM 0 HG13 VAL B 36 -6.867 -11.771 0.684 1.00 6.78 H new ATOM 0 HG21 VAL B 36 -7.172 -8.700 0.850 1.00 5.59 H new ATOM 0 HG22 VAL B 36 -5.601 -9.533 0.928 1.00 5.59 H new ATOM 0 HG23 VAL B 36 -5.878 -8.269 -0.294 1.00 5.59 H new ATOM 1695 N MET B 37 -3.729 -9.343 -1.966 1.00 5.73 N ATOM 1696 CA MET B 37 -2.981 -8.196 -2.484 1.00 5.13 C ATOM 1697 C MET B 37 -2.422 -8.470 -3.886 1.00 5.49 C ATOM 1698 O MET B 37 -1.474 -7.819 -4.319 1.00 5.20 O ATOM 1699 CB MET B 37 -1.839 -7.835 -1.527 1.00 4.75 C ATOM 1700 CG MET B 37 -1.240 -6.448 -1.755 1.00 4.01 C ATOM 1701 SD MET B 37 -2.232 -5.110 -1.051 1.00 3.52 S ATOM 1702 CE MET B 37 -3.669 -5.106 -2.118 1.00 3.19 C ATOM 0 H MET B 37 -3.190 -9.948 -1.346 1.00 5.73 H new ATOM 0 HA MET B 37 -3.672 -7.357 -2.558 1.00 5.13 H new ATOM 0 HB2 MET B 37 -2.207 -7.895 -0.503 1.00 4.75 H new ATOM 0 HB3 MET B 37 -1.049 -8.579 -1.626 1.00 4.75 H new ATOM 0 HG2 MET B 37 -0.241 -6.416 -1.320 1.00 4.01 H new ATOM 0 HG3 MET B 37 -1.127 -6.281 -2.826 1.00 4.01 H new ATOM 0 HE1 MET B 37 -4.043 -4.087 -2.221 1.00 3.19 H new ATOM 0 HE2 MET B 37 -3.394 -5.493 -3.099 1.00 3.19 H new ATOM 0 HE3 MET B 37 -4.446 -5.736 -1.684 1.00 3.19 H new ATOM 1712 N THR B 38 -2.999 -9.448 -4.579 1.00 6.18 N ATOM 1713 CA THR B 38 -2.546 -9.816 -5.915 1.00 6.68 C ATOM 1714 C THR B 38 -2.453 -8.594 -6.836 1.00 6.35 C ATOM 1715 O THR B 38 -3.256 -7.663 -6.731 1.00 5.90 O ATOM 1716 CB THR B 38 -3.487 -10.863 -6.551 1.00 7.43 C ATOM 1717 OG1 THR B 38 -4.847 -10.402 -6.510 1.00 7.27 O ATOM 1718 CG2 THR B 38 -3.384 -12.200 -5.829 1.00 7.96 C ATOM 0 H THR B 38 -3.784 -10.001 -4.235 1.00 6.18 H new ATOM 0 HA THR B 38 -1.551 -10.247 -5.804 1.00 6.68 H new ATOM 0 HB THR B 38 -3.181 -11.000 -7.588 1.00 7.43 H new ATOM 0 HG1 THR B 38 -5.433 -11.074 -6.918 1.00 7.27 H new ATOM 0 HG21 THR B 38 -4.057 -12.919 -6.297 1.00 7.96 H new ATOM 0 HG22 THR B 38 -2.360 -12.568 -5.890 1.00 7.96 H new ATOM 0 HG23 THR B 38 -3.662 -12.071 -4.783 1.00 7.96 H new ATOM 1726 N PRO B 39 -1.456 -8.580 -7.742 1.00 6.65 N ATOM 1727 CA PRO B 39 -1.253 -7.472 -8.685 1.00 6.53 C ATOM 1728 C PRO B 39 -2.511 -7.163 -9.490 1.00 6.66 C ATOM 1729 O PRO B 39 -2.751 -6.018 -9.872 1.00 6.35 O ATOM 1730 CB PRO B 39 -0.135 -7.979 -9.598 1.00 7.19 C ATOM 1731 CG PRO B 39 0.594 -8.985 -8.779 1.00 7.30 C ATOM 1732 CD PRO B 39 -0.440 -9.634 -7.904 1.00 7.21 C ATOM 0 HA PRO B 39 -1.008 -6.540 -8.176 1.00 6.53 H new ATOM 0 HB2 PRO B 39 -0.538 -8.425 -10.507 1.00 7.19 H new ATOM 0 HB3 PRO B 39 0.523 -7.167 -9.906 1.00 7.19 H new ATOM 0 HG2 PRO B 39 1.086 -9.722 -9.414 1.00 7.30 H new ATOM 0 HG3 PRO B 39 1.371 -8.511 -8.179 1.00 7.30 H new ATOM 0 HD2 PRO B 39 -0.857 -10.527 -8.369 1.00 7.21 H new ATOM 0 HD3 PRO B 39 -0.021 -9.940 -6.945 1.00 7.21 H new ATOM 1740 N GLU B 40 -3.314 -8.194 -9.732 1.00 7.16 N ATOM 1741 CA GLU B 40 -4.599 -8.031 -10.398 1.00 7.32 C ATOM 1742 C GLU B 40 -5.485 -7.088 -9.588 1.00 6.59 C ATOM 1743 O GLU B 40 -6.028 -6.118 -10.118 1.00 6.46 O ATOM 1744 CB GLU B 40 -5.278 -9.393 -10.559 1.00 7.95 C ATOM 1745 CG GLU B 40 -6.598 -9.361 -11.314 1.00 8.17 C ATOM 1746 CD GLU B 40 -6.448 -8.896 -12.747 1.00 8.67 C ATOM 1747 OE1 GLU B 40 -5.697 -9.541 -13.510 1.00 8.70 O ATOM 1748 OE2 GLU B 40 -7.102 -7.904 -13.125 1.00 9.22 O ATOM 0 H GLU B 40 -3.095 -9.156 -9.475 1.00 7.16 H new ATOM 0 HA GLU B 40 -4.440 -7.601 -11.387 1.00 7.32 H new ATOM 0 HB2 GLU B 40 -4.595 -10.065 -11.078 1.00 7.95 H new ATOM 0 HB3 GLU B 40 -5.451 -9.816 -9.570 1.00 7.95 H new ATOM 0 HG2 GLU B 40 -7.040 -10.358 -11.305 1.00 8.17 H new ATOM 0 HG3 GLU B 40 -7.292 -8.700 -10.794 1.00 8.17 H new ATOM 1755 N LEU B 41 -5.597 -7.361 -8.292 1.00 6.17 N ATOM 1756 CA LEU B 41 -6.405 -6.530 -7.410 1.00 5.47 C ATOM 1757 C LEU B 41 -5.830 -5.125 -7.343 1.00 4.86 C ATOM 1758 O LEU B 41 -6.560 -4.142 -7.442 1.00 4.46 O ATOM 1759 CB LEU B 41 -6.457 -7.107 -5.997 1.00 5.29 C ATOM 1760 CG LEU B 41 -7.441 -6.399 -5.062 1.00 4.67 C ATOM 1761 CD1 LEU B 41 -8.755 -7.157 -5.010 1.00 5.06 C ATOM 1762 CD2 LEU B 41 -6.852 -6.231 -3.669 1.00 4.24 C ATOM 0 H LEU B 41 -5.140 -8.148 -7.832 1.00 6.17 H new ATOM 0 HA LEU B 41 -7.415 -6.503 -7.819 1.00 5.47 H new ATOM 0 HB2 LEU B 41 -6.727 -8.161 -6.058 1.00 5.29 H new ATOM 0 HB3 LEU B 41 -5.460 -7.058 -5.560 1.00 5.29 H new ATOM 0 HG LEU B 41 -7.633 -5.402 -5.459 1.00 4.67 H new ATOM 0 HD11 LEU B 41 -9.446 -6.643 -4.342 1.00 5.06 H new ATOM 0 HD12 LEU B 41 -9.187 -7.206 -6.010 1.00 5.06 H new ATOM 0 HD13 LEU B 41 -8.578 -8.167 -4.641 1.00 5.06 H new ATOM 0 HD21 LEU B 41 -7.574 -5.725 -3.027 1.00 4.24 H new ATOM 0 HD22 LEU B 41 -6.620 -7.211 -3.252 1.00 4.24 H new ATOM 0 HD23 LEU B 41 -5.940 -5.637 -3.729 1.00 4.24 H new ATOM 1774 N GLN B 42 -4.513 -5.048 -7.176 1.00 4.84 N ATOM 1775 CA GLN B 42 -3.815 -3.772 -7.069 1.00 4.35 C ATOM 1776 C GLN B 42 -4.079 -2.897 -8.296 1.00 4.69 C ATOM 1777 O GLN B 42 -4.302 -1.690 -8.174 1.00 4.37 O ATOM 1778 CB GLN B 42 -2.313 -4.015 -6.893 1.00 4.43 C ATOM 1779 CG GLN B 42 -1.495 -2.747 -6.705 1.00 4.02 C ATOM 1780 CD GLN B 42 -1.927 -1.941 -5.497 1.00 3.27 C ATOM 1781 OE1 GLN B 42 -1.434 -2.141 -4.391 1.00 3.29 O ATOM 1782 NE2 GLN B 42 -2.847 -1.015 -5.701 1.00 3.09 N ATOM 0 H GLN B 42 -3.903 -5.863 -7.111 1.00 4.84 H new ATOM 0 HA GLN B 42 -4.194 -3.242 -6.195 1.00 4.35 H new ATOM 0 HB2 GLN B 42 -2.160 -4.664 -6.031 1.00 4.43 H new ATOM 0 HB3 GLN B 42 -1.938 -4.550 -7.765 1.00 4.43 H new ATOM 0 HG2 GLN B 42 -0.443 -3.011 -6.602 1.00 4.02 H new ATOM 0 HG3 GLN B 42 -1.582 -2.129 -7.598 1.00 4.02 H new ATOM 0 HE21 GLN B 42 -3.234 -0.877 -6.635 1.00 3.09 H new ATOM 0 HE22 GLN B 42 -3.170 -0.438 -4.925 1.00 3.09 H new ATOM 1791 N SER B 43 -4.078 -3.514 -9.468 1.00 5.44 N ATOM 1792 CA SER B 43 -4.338 -2.805 -10.713 1.00 5.93 C ATOM 1793 C SER B 43 -5.806 -2.376 -10.793 1.00 5.79 C ATOM 1794 O SER B 43 -6.128 -1.335 -11.368 1.00 5.94 O ATOM 1795 CB SER B 43 -3.965 -3.695 -11.903 1.00 6.77 C ATOM 1796 OG SER B 43 -4.034 -2.989 -13.131 1.00 7.35 O ATOM 0 H SER B 43 -3.899 -4.511 -9.584 1.00 5.44 H new ATOM 0 HA SER B 43 -3.725 -1.904 -10.743 1.00 5.93 H new ATOM 0 HB2 SER B 43 -2.956 -4.084 -11.764 1.00 6.77 H new ATOM 0 HB3 SER B 43 -4.636 -4.553 -11.939 1.00 6.77 H new ATOM 0 HG SER B 43 -3.788 -3.588 -13.867 1.00 7.35 H new ATOM 1802 N ARG B 44 -6.691 -3.172 -10.198 1.00 5.57 N ATOM 1803 CA ARG B 44 -8.121 -2.860 -10.189 1.00 5.41 C ATOM 1804 C ARG B 44 -8.433 -1.769 -9.170 1.00 4.69 C ATOM 1805 O ARG B 44 -9.391 -1.015 -9.331 1.00 4.71 O ATOM 1806 CB ARG B 44 -8.948 -4.112 -9.892 1.00 5.44 C ATOM 1807 CG ARG B 44 -8.823 -5.180 -10.963 1.00 6.25 C ATOM 1808 CD ARG B 44 -9.630 -6.418 -10.619 1.00 6.38 C ATOM 1809 NE ARG B 44 -9.409 -7.490 -11.582 1.00 7.03 N ATOM 1810 CZ ARG B 44 -10.046 -8.660 -11.562 1.00 7.53 C ATOM 1811 NH1 ARG B 44 -10.972 -8.904 -10.645 1.00 7.50 N ATOM 1812 NH2 ARG B 44 -9.757 -9.578 -12.471 1.00 8.28 N ATOM 0 H ARG B 44 -6.445 -4.037 -9.716 1.00 5.57 H new ATOM 0 HA ARG B 44 -8.389 -2.494 -11.180 1.00 5.41 H new ATOM 0 HB2 ARG B 44 -8.634 -4.528 -8.935 1.00 5.44 H new ATOM 0 HB3 ARG B 44 -9.996 -3.831 -9.789 1.00 5.44 H new ATOM 0 HG2 ARG B 44 -9.162 -4.779 -11.918 1.00 6.25 H new ATOM 0 HG3 ARG B 44 -7.774 -5.452 -11.085 1.00 6.25 H new ATOM 0 HD2 ARG B 44 -9.359 -6.763 -9.621 1.00 6.38 H new ATOM 0 HD3 ARG B 44 -10.690 -6.166 -10.592 1.00 6.38 H new ATOM 0 HE ARG B 44 -8.722 -7.334 -12.319 1.00 7.03 H new ATOM 0 HH11 ARG B 44 -11.200 -8.194 -9.949 1.00 7.50 H new ATOM 0 HH12 ARG B 44 -11.456 -9.802 -10.635 1.00 7.50 H new ATOM 0 HH21 ARG B 44 -9.050 -9.388 -13.181 1.00 8.28 H new ATOM 0 HH22 ARG B 44 -10.241 -10.476 -12.461 1.00 8.28 H new ATOM 1826 N LEU B 45 -7.628 -1.702 -8.114 1.00 4.13 N ATOM 1827 CA LEU B 45 -7.714 -0.608 -7.156 1.00 3.49 C ATOM 1828 C LEU B 45 -7.344 0.696 -7.853 1.00 3.91 C ATOM 1829 O LEU B 45 -7.849 1.767 -7.521 1.00 3.85 O ATOM 1830 CB LEU B 45 -6.774 -0.857 -5.966 1.00 2.89 C ATOM 1831 CG LEU B 45 -7.096 -2.093 -5.121 1.00 2.68 C ATOM 1832 CD1 LEU B 45 -6.002 -2.330 -4.091 1.00 2.32 C ATOM 1833 CD2 LEU B 45 -8.444 -1.933 -4.435 1.00 2.32 C ATOM 0 H LEU B 45 -6.909 -2.393 -7.901 1.00 4.13 H new ATOM 0 HA LEU B 45 -8.734 -0.544 -6.776 1.00 3.49 H new ATOM 0 HB2 LEU B 45 -5.756 -0.951 -6.343 1.00 2.89 H new ATOM 0 HB3 LEU B 45 -6.795 0.020 -5.319 1.00 2.89 H new ATOM 0 HG LEU B 45 -7.145 -2.959 -5.781 1.00 2.68 H new ATOM 0 HD11 LEU B 45 -6.245 -3.212 -3.498 1.00 2.32 H new ATOM 0 HD12 LEU B 45 -5.051 -2.486 -4.600 1.00 2.32 H new ATOM 0 HD13 LEU B 45 -5.925 -1.462 -3.436 1.00 2.32 H new ATOM 0 HD21 LEU B 45 -8.657 -2.821 -3.839 1.00 2.32 H new ATOM 0 HD22 LEU B 45 -8.420 -1.057 -3.786 1.00 2.32 H new ATOM 0 HD23 LEU B 45 -9.222 -1.806 -5.187 1.00 2.32 H new ATOM 1845 N GLY B 46 -6.424 0.586 -8.802 1.00 4.49 N ATOM 1846 CA GLY B 46 -6.090 1.695 -9.670 1.00 5.11 C ATOM 1847 C GLY B 46 -5.063 2.623 -9.066 1.00 4.95 C ATOM 1848 O GLY B 46 -4.369 3.336 -9.789 1.00 5.58 O ATOM 0 H GLY B 46 -5.896 -0.267 -8.987 1.00 4.49 H new ATOM 0 HA2 GLY B 46 -5.712 1.308 -10.616 1.00 5.11 H new ATOM 0 HA3 GLY B 46 -6.995 2.259 -9.895 1.00 5.11 H new ATOM 1852 N GLY B 47 -4.961 2.615 -7.743 1.00 4.20 N ATOM 1853 CA GLY B 47 -4.021 3.485 -7.061 1.00 4.08 C ATOM 1854 C GLY B 47 -4.406 4.949 -7.177 1.00 4.27 C ATOM 1855 O GLY B 47 -3.643 5.831 -6.783 1.00 4.50 O ATOM 0 H GLY B 47 -5.515 2.019 -7.128 1.00 4.20 H new ATOM 0 HA2 GLY B 47 -3.969 3.207 -6.008 1.00 4.08 H new ATOM 0 HA3 GLY B 47 -3.025 3.339 -7.478 1.00 4.08 H new ATOM 1859 N ALA B 48 -5.599 5.205 -7.707 1.00 4.37 N ATOM 1860 CA ALA B 48 -6.056 6.565 -7.921 1.00 4.85 C ATOM 1861 C ALA B 48 -6.497 7.189 -6.608 1.00 4.49 C ATOM 1862 O ALA B 48 -6.989 6.501 -5.713 1.00 3.88 O ATOM 1863 CB ALA B 48 -7.194 6.586 -8.931 1.00 5.41 C ATOM 0 H ALA B 48 -6.263 4.486 -7.994 1.00 4.37 H new ATOM 0 HA ALA B 48 -5.228 7.152 -8.319 1.00 4.85 H new ATOM 0 HB1 ALA B 48 -7.527 7.613 -9.082 1.00 5.41 H new ATOM 0 HB2 ALA B 48 -6.847 6.174 -9.879 1.00 5.41 H new ATOM 0 HB3 ALA B 48 -8.024 5.986 -8.557 1.00 5.41 H new ATOM 1869 N ARG B 49 -6.343 8.498 -6.512 1.00 5.02 N ATOM 1870 CA ARG B 49 -6.640 9.221 -5.286 1.00 4.98 C ATOM 1871 C ARG B 49 -8.115 9.112 -4.911 1.00 5.00 C ATOM 1872 O ARG B 49 -8.442 8.752 -3.784 1.00 4.59 O ATOM 1873 CB ARG B 49 -6.204 10.685 -5.421 1.00 5.73 C ATOM 1874 CG ARG B 49 -6.884 11.453 -6.543 1.00 6.40 C ATOM 1875 CD ARG B 49 -6.151 12.745 -6.857 1.00 6.81 C ATOM 1876 NE ARG B 49 -5.818 13.504 -5.654 1.00 7.23 N ATOM 1877 CZ ARG B 49 -6.347 14.689 -5.349 1.00 7.61 C ATOM 1878 NH1 ARG B 49 -7.274 15.234 -6.131 1.00 7.61 N ATOM 1879 NH2 ARG B 49 -5.939 15.330 -4.262 1.00 8.22 N ATOM 0 H ARG B 49 -6.011 9.087 -7.276 1.00 5.02 H new ATOM 0 HA ARG B 49 -6.074 8.764 -4.474 1.00 4.98 H new ATOM 0 HB2 ARG B 49 -6.401 11.196 -4.479 1.00 5.73 H new ATOM 0 HB3 ARG B 49 -5.126 10.715 -5.581 1.00 5.73 H new ATOM 0 HG2 ARG B 49 -6.927 10.831 -7.437 1.00 6.40 H new ATOM 0 HG3 ARG B 49 -7.913 11.677 -6.261 1.00 6.40 H new ATOM 0 HD2 ARG B 49 -5.236 12.517 -7.404 1.00 6.81 H new ATOM 0 HD3 ARG B 49 -6.769 13.360 -7.512 1.00 6.81 H new ATOM 0 HE ARG B 49 -5.139 13.102 -5.008 1.00 7.23 H new ATOM 0 HH11 ARG B 49 -7.585 14.745 -6.970 1.00 7.61 H new ATOM 0 HH12 ARG B 49 -7.674 16.141 -5.891 1.00 7.61 H new ATOM 0 HH21 ARG B 49 -5.224 14.916 -3.664 1.00 8.22 H new ATOM 0 HH22 ARG B 49 -6.340 16.237 -4.024 1.00 8.22 H new ATOM 1893 N HIS B 50 -8.998 9.386 -5.863 1.00 5.53 N ATOM 1894 CA HIS B 50 -10.437 9.351 -5.601 1.00 5.65 C ATOM 1895 C HIS B 50 -10.918 7.937 -5.289 1.00 4.90 C ATOM 1896 O HIS B 50 -11.826 7.750 -4.479 1.00 4.73 O ATOM 1897 CB HIS B 50 -11.238 9.947 -6.769 1.00 6.40 C ATOM 1898 CG HIS B 50 -10.817 9.484 -8.137 1.00 6.57 C ATOM 1899 ND1 HIS B 50 -11.213 8.286 -8.698 1.00 6.34 N ATOM 1900 CD2 HIS B 50 -10.032 10.085 -9.067 1.00 7.07 C ATOM 1901 CE1 HIS B 50 -10.691 8.174 -9.906 1.00 6.75 C ATOM 1902 NE2 HIS B 50 -9.973 9.250 -10.152 1.00 7.16 N ATOM 0 H HIS B 50 -8.748 9.634 -6.820 1.00 5.53 H new ATOM 0 HA HIS B 50 -10.613 9.968 -4.720 1.00 5.65 H new ATOM 0 HB2 HIS B 50 -12.291 9.703 -6.628 1.00 6.40 H new ATOM 0 HB3 HIS B 50 -11.155 11.033 -6.729 1.00 6.40 H new ATOM 0 HD1 HIS B 50 -11.815 7.595 -8.249 1.00 6.34 H new ATOM 0 HD2 HIS B 50 -9.544 11.044 -8.970 1.00 7.07 H new ATOM 0 HE1 HIS B 50 -10.830 7.340 -10.579 1.00 6.75 H new ATOM 1911 N GLU B 51 -10.296 6.942 -5.914 1.00 4.52 N ATOM 1912 CA GLU B 51 -10.658 5.552 -5.666 1.00 3.87 C ATOM 1913 C GLU B 51 -10.275 5.146 -4.252 1.00 3.13 C ATOM 1914 O GLU B 51 -11.062 4.529 -3.535 1.00 2.72 O ATOM 1915 CB GLU B 51 -9.983 4.617 -6.675 1.00 3.90 C ATOM 1916 CG GLU B 51 -10.935 4.063 -7.723 1.00 4.40 C ATOM 1917 CD GLU B 51 -11.503 5.136 -8.631 1.00 5.21 C ATOM 1918 OE1 GLU B 51 -12.333 5.948 -8.164 1.00 5.72 O ATOM 1919 OE2 GLU B 51 -11.113 5.185 -9.816 1.00 5.60 O ATOM 0 H GLU B 51 -9.544 7.071 -6.591 1.00 4.52 H new ATOM 0 HA GLU B 51 -11.738 5.464 -5.783 1.00 3.87 H new ATOM 0 HB2 GLU B 51 -9.179 5.156 -7.176 1.00 3.90 H new ATOM 0 HB3 GLU B 51 -9.524 3.787 -6.138 1.00 3.90 H new ATOM 0 HG2 GLU B 51 -10.411 3.323 -8.328 1.00 4.40 H new ATOM 0 HG3 GLU B 51 -11.754 3.545 -7.225 1.00 4.40 H new ATOM 1926 N LEU B 52 -9.071 5.516 -3.845 1.00 3.04 N ATOM 1927 CA LEU B 52 -8.572 5.146 -2.531 1.00 2.56 C ATOM 1928 C LEU B 52 -9.247 5.962 -1.430 1.00 3.06 C ATOM 1929 O LEU B 52 -9.301 5.534 -0.279 1.00 2.94 O ATOM 1930 CB LEU B 52 -7.051 5.288 -2.480 1.00 2.52 C ATOM 1931 CG LEU B 52 -6.307 4.452 -3.528 1.00 2.10 C ATOM 1932 CD1 LEU B 52 -4.810 4.533 -3.308 1.00 2.00 C ATOM 1933 CD2 LEU B 52 -6.776 3.003 -3.499 1.00 1.52 C ATOM 0 H LEU B 52 -8.423 6.071 -4.404 1.00 3.04 H new ATOM 0 HA LEU B 52 -8.821 4.100 -2.353 1.00 2.56 H new ATOM 0 HB2 LEU B 52 -6.790 6.338 -2.617 1.00 2.52 H new ATOM 0 HB3 LEU B 52 -6.703 5.000 -1.488 1.00 2.52 H new ATOM 0 HG LEU B 52 -6.533 4.861 -4.513 1.00 2.10 H new ATOM 0 HD11 LEU B 52 -4.299 3.934 -4.061 1.00 2.00 H new ATOM 0 HD12 LEU B 52 -4.486 5.571 -3.389 1.00 2.00 H new ATOM 0 HD13 LEU B 52 -4.567 4.153 -2.316 1.00 2.00 H new ATOM 0 HD21 LEU B 52 -6.234 2.430 -4.251 1.00 1.52 H new ATOM 0 HD22 LEU B 52 -6.586 2.579 -2.513 1.00 1.52 H new ATOM 0 HD23 LEU B 52 -7.844 2.962 -3.712 1.00 1.52 H new ATOM 1945 N ILE B 53 -9.759 7.138 -1.779 1.00 3.78 N ATOM 1946 CA ILE B 53 -10.576 7.904 -0.843 1.00 4.35 C ATOM 1947 C ILE B 53 -11.853 7.130 -0.525 1.00 4.05 C ATOM 1948 O ILE B 53 -12.275 7.051 0.628 1.00 4.19 O ATOM 1949 CB ILE B 53 -10.931 9.311 -1.384 1.00 5.19 C ATOM 1950 CG1 ILE B 53 -9.672 10.181 -1.459 1.00 5.56 C ATOM 1951 CG2 ILE B 53 -11.985 9.978 -0.506 1.00 5.75 C ATOM 1952 CD1 ILE B 53 -9.910 11.556 -2.043 1.00 6.40 C ATOM 0 H ILE B 53 -9.626 7.577 -2.690 1.00 3.78 H new ATOM 0 HA ILE B 53 -9.989 8.047 0.064 1.00 4.35 H new ATOM 0 HB ILE B 53 -11.343 9.200 -2.387 1.00 5.19 H new ATOM 0 HG12 ILE B 53 -9.257 10.290 -0.457 1.00 5.56 H new ATOM 0 HG13 ILE B 53 -8.922 9.667 -2.060 1.00 5.56 H new ATOM 0 HG21 ILE B 53 -12.219 10.965 -0.905 1.00 5.75 H new ATOM 0 HG22 ILE B 53 -12.888 9.368 -0.494 1.00 5.75 H new ATOM 0 HG23 ILE B 53 -11.602 10.078 0.510 1.00 5.75 H new ATOM 0 HD11 ILE B 53 -8.972 12.110 -2.062 1.00 6.40 H new ATOM 0 HD12 ILE B 53 -10.295 11.459 -3.058 1.00 6.40 H new ATOM 0 HD13 ILE B 53 -10.635 12.091 -1.430 1.00 6.40 H new ATOM 1964 N ALA B 54 -12.449 6.532 -1.553 1.00 3.73 N ATOM 1965 CA ALA B 54 -13.622 5.684 -1.373 1.00 3.39 C ATOM 1966 C ALA B 54 -13.249 4.405 -0.625 1.00 2.66 C ATOM 1967 O ALA B 54 -14.059 3.851 0.122 1.00 2.59 O ATOM 1968 CB ALA B 54 -14.256 5.352 -2.716 1.00 3.40 C ATOM 0 H ALA B 54 -12.138 6.620 -2.520 1.00 3.73 H new ATOM 0 HA ALA B 54 -14.352 6.231 -0.776 1.00 3.39 H new ATOM 0 HB1 ALA B 54 -15.129 4.719 -2.559 1.00 3.40 H new ATOM 0 HB2 ALA B 54 -14.560 6.273 -3.212 1.00 3.40 H new ATOM 0 HB3 ALA B 54 -13.533 4.826 -3.339 1.00 3.40 H new ATOM 1974 N LEU B 55 -12.016 3.951 -0.832 1.00 2.23 N ATOM 1975 CA LEU B 55 -11.475 2.791 -0.125 1.00 1.71 C ATOM 1976 C LEU B 55 -11.391 3.061 1.378 1.00 2.33 C ATOM 1977 O LEU B 55 -11.565 2.158 2.194 1.00 2.46 O ATOM 1978 CB LEU B 55 -10.086 2.445 -0.679 1.00 1.30 C ATOM 1979 CG LEU B 55 -10.005 1.180 -1.545 1.00 1.02 C ATOM 1980 CD1 LEU B 55 -10.192 -0.061 -0.693 1.00 1.74 C ATOM 1981 CD2 LEU B 55 -11.039 1.216 -2.659 1.00 1.20 C ATOM 0 H LEU B 55 -11.364 4.375 -1.492 1.00 2.23 H new ATOM 0 HA LEU B 55 -12.145 1.946 -0.282 1.00 1.71 H new ATOM 0 HB2 LEU B 55 -9.731 3.290 -1.270 1.00 1.30 H new ATOM 0 HB3 LEU B 55 -9.399 2.332 0.160 1.00 1.30 H new ATOM 0 HG LEU B 55 -9.015 1.146 -2.000 1.00 1.02 H new ATOM 0 HD11 LEU B 55 -10.132 -0.948 -1.324 1.00 1.74 H new ATOM 0 HD12 LEU B 55 -9.411 -0.102 0.066 1.00 1.74 H new ATOM 0 HD13 LEU B 55 -11.168 -0.026 -0.209 1.00 1.74 H new ATOM 0 HD21 LEU B 55 -10.960 0.309 -3.258 1.00 1.20 H new ATOM 0 HD22 LEU B 55 -12.038 1.280 -2.227 1.00 1.20 H new ATOM 0 HD23 LEU B 55 -10.861 2.085 -3.292 1.00 1.20 H new ATOM 1993 N LEU B 56 -11.103 4.303 1.734 1.00 2.95 N ATOM 1994 CA LEU B 56 -11.109 4.724 3.129 1.00 3.69 C ATOM 1995 C LEU B 56 -12.536 4.983 3.603 1.00 4.03 C ATOM 1996 O LEU B 56 -12.924 4.589 4.703 1.00 4.45 O ATOM 1997 CB LEU B 56 -10.258 5.985 3.298 1.00 4.26 C ATOM 1998 CG LEU B 56 -10.384 6.697 4.649 1.00 5.04 C ATOM 1999 CD1 LEU B 56 -9.950 5.789 5.790 1.00 5.31 C ATOM 2000 CD2 LEU B 56 -9.565 7.979 4.648 1.00 5.56 C ATOM 0 H LEU B 56 -10.861 5.042 1.074 1.00 2.95 H new ATOM 0 HA LEU B 56 -10.684 3.925 3.737 1.00 3.69 H new ATOM 0 HB2 LEU B 56 -9.212 5.718 3.145 1.00 4.26 H new ATOM 0 HB3 LEU B 56 -10.526 6.690 2.511 1.00 4.26 H new ATOM 0 HG LEU B 56 -11.433 6.950 4.802 1.00 5.04 H new ATOM 0 HD11 LEU B 56 -10.050 6.321 6.736 1.00 5.31 H new ATOM 0 HD12 LEU B 56 -10.579 4.899 5.806 1.00 5.31 H new ATOM 0 HD13 LEU B 56 -8.910 5.496 5.647 1.00 5.31 H new ATOM 0 HD21 LEU B 56 -9.664 8.475 5.614 1.00 5.56 H new ATOM 0 HD22 LEU B 56 -8.517 7.741 4.468 1.00 5.56 H new ATOM 0 HD23 LEU B 56 -9.927 8.641 3.862 1.00 5.56 H new ATOM 2012 N ARG B 57 -13.316 5.623 2.742 1.00 3.93 N ATOM 2013 CA ARG B 57 -14.686 6.023 3.058 1.00 4.27 C ATOM 2014 C ARG B 57 -15.570 4.813 3.367 1.00 3.92 C ATOM 2015 O ARG B 57 -16.612 4.939 4.011 1.00 4.30 O ATOM 2016 CB ARG B 57 -15.266 6.815 1.883 1.00 4.32 C ATOM 2017 CG ARG B 57 -16.612 7.457 2.166 1.00 4.80 C ATOM 2018 CD ARG B 57 -17.171 8.135 0.928 1.00 5.19 C ATOM 2019 NE ARG B 57 -17.465 7.176 -0.141 1.00 5.85 N ATOM 2020 CZ ARG B 57 -17.660 7.515 -1.416 1.00 6.39 C ATOM 2021 NH1 ARG B 57 -17.539 8.781 -1.799 1.00 6.40 N ATOM 2022 NH2 ARG B 57 -17.979 6.584 -2.309 1.00 7.19 N ATOM 0 H ARG B 57 -13.018 5.881 1.801 1.00 3.93 H new ATOM 0 HA ARG B 57 -14.664 6.648 3.951 1.00 4.27 H new ATOM 0 HB2 ARG B 57 -14.558 7.594 1.600 1.00 4.32 H new ATOM 0 HB3 ARG B 57 -15.367 6.149 1.026 1.00 4.32 H new ATOM 0 HG2 ARG B 57 -17.313 6.699 2.516 1.00 4.80 H new ATOM 0 HG3 ARG B 57 -16.507 8.188 2.968 1.00 4.80 H new ATOM 0 HD2 ARG B 57 -18.081 8.675 1.190 1.00 5.19 H new ATOM 0 HD3 ARG B 57 -16.456 8.873 0.565 1.00 5.19 H new ATOM 0 HE ARG B 57 -17.524 6.188 0.106 1.00 5.85 H new ATOM 0 HH11 ARG B 57 -17.296 9.499 -1.117 1.00 6.40 H new ATOM 0 HH12 ARG B 57 -17.689 9.035 -2.775 1.00 6.40 H new ATOM 0 HH21 ARG B 57 -18.075 5.611 -2.019 1.00 7.19 H new ATOM 0 HH22 ARG B 57 -18.128 6.843 -3.284 1.00 7.19 H new ATOM 2036 N GLN B 58 -15.154 3.641 2.911 1.00 3.27 N ATOM 2037 CA GLN B 58 -15.918 2.423 3.147 1.00 3.16 C ATOM 2038 C GLN B 58 -15.704 1.922 4.574 1.00 3.92 C ATOM 2039 O GLN B 58 -16.513 1.165 5.102 1.00 4.23 O ATOM 2040 CB GLN B 58 -15.510 1.333 2.154 1.00 2.58 C ATOM 2041 CG GLN B 58 -14.188 0.667 2.495 1.00 2.73 C ATOM 2042 CD GLN B 58 -13.780 -0.386 1.487 1.00 2.46 C ATOM 2043 OE1 GLN B 58 -14.621 -0.975 0.814 1.00 2.60 O ATOM 2044 NE2 GLN B 58 -12.491 -0.651 1.400 1.00 2.44 N ATOM 0 H GLN B 58 -14.295 3.507 2.377 1.00 3.27 H new ATOM 0 HA GLN B 58 -16.974 2.655 3.007 1.00 3.16 H new ATOM 0 HB2 GLN B 58 -16.292 0.574 2.118 1.00 2.58 H new ATOM 0 HB3 GLN B 58 -15.442 1.768 1.157 1.00 2.58 H new ATOM 0 HG2 GLN B 58 -13.409 1.427 2.554 1.00 2.73 H new ATOM 0 HG3 GLN B 58 -14.262 0.209 3.481 1.00 2.73 H new ATOM 0 HE21 GLN B 58 -11.825 -0.138 1.977 1.00 2.44 H new ATOM 0 HE22 GLN B 58 -12.160 -1.369 0.755 1.00 2.44 H new ATOM 2053 N LEU B 59 -14.609 2.355 5.189 1.00 4.30 N ATOM 2054 CA LEU B 59 -14.244 1.894 6.523 1.00 5.09 C ATOM 2055 C LEU B 59 -14.949 2.731 7.585 1.00 5.75 C ATOM 2056 O LEU B 59 -14.963 2.381 8.763 1.00 6.46 O ATOM 2057 CB LEU B 59 -12.724 1.970 6.707 1.00 5.21 C ATOM 2058 CG LEU B 59 -12.182 1.329 7.985 1.00 4.98 C ATOM 2059 CD1 LEU B 59 -12.413 -0.174 7.970 1.00 5.21 C ATOM 2060 CD2 LEU B 59 -10.703 1.645 8.147 1.00 5.36 C ATOM 0 H LEU B 59 -13.957 3.027 4.783 1.00 4.30 H new ATOM 0 HA LEU B 59 -14.560 0.857 6.635 1.00 5.09 H new ATOM 0 HB2 LEU B 59 -12.248 1.491 5.851 1.00 5.21 H new ATOM 0 HB3 LEU B 59 -12.426 3.018 6.693 1.00 5.21 H new ATOM 0 HG LEU B 59 -12.719 1.746 8.837 1.00 4.98 H new ATOM 0 HD11 LEU B 59 -12.020 -0.612 8.888 1.00 5.21 H new ATOM 0 HD12 LEU B 59 -13.482 -0.377 7.899 1.00 5.21 H new ATOM 0 HD13 LEU B 59 -11.903 -0.612 7.112 1.00 5.21 H new ATOM 0 HD21 LEU B 59 -10.330 1.183 9.061 1.00 5.36 H new ATOM 0 HD22 LEU B 59 -10.152 1.255 7.292 1.00 5.36 H new ATOM 0 HD23 LEU B 59 -10.566 2.725 8.205 1.00 5.36 H new