USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 878 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 4 THR OG1 : rot 77:sc= -0.446! USER MOD Single : A 20 LYS NZ :NH3+ -151:sc= -0.221 (180deg=-0.905) USER MOD Single : A 25 THR OG1 : rot 77:sc= 0.953 USER MOD Single : A 47 LYS NZ :NH3+ -148:sc= 2.34 (180deg=1.01) USER MOD Single : A 48 LYS NZ :NH3+ -101:sc= 1.27 (180deg=-0.572!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot 76:sc= -0.651 USER MOD Single : B 20 LYS NZ :NH3+ -157:sc= 1.28 (180deg=-0.0157) USER MOD Single : B 25 THR OG1 : rot 77:sc= 0.907 USER MOD Single : B 47 LYS NZ :NH3+ -164:sc= 0.765 (180deg=-0.767!) USER MOD Single : B 48 LYS NZ :NH3+ -166:sc= 1.22 (180deg=0.861) USER MOD Single : B 49 TYR OH : rot 180:sc= 0 USER MOD Single : B 50 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N ALA A 3 3.889 -7.650 9.671 1.00 0.50 N ATOM 43 CA ALA A 3 2.499 -7.260 9.873 1.00 0.32 C ATOM 44 C ALA A 3 2.374 -6.219 10.977 1.00 0.37 C ATOM 45 O ALA A 3 2.453 -6.528 12.164 1.00 0.72 O ATOM 46 CB ALA A 3 1.601 -8.460 10.148 1.00 0.44 C ATOM 0 HA ALA A 3 2.156 -6.809 8.942 1.00 0.32 H new ATOM 0 HB1 ALA A 3 0.575 -8.121 10.292 1.00 0.44 H new ATOM 0 HB2 ALA A 3 1.641 -9.146 9.302 1.00 0.44 H new ATOM 0 HB3 ALA A 3 1.944 -8.972 11.047 1.00 0.44 H new ATOM 52 N THR A 4 2.193 -4.979 10.563 1.00 0.23 N ATOM 53 CA THR A 4 2.099 -3.868 11.485 1.00 0.26 C ATOM 54 C THR A 4 0.652 -3.578 11.876 1.00 0.27 C ATOM 55 O THR A 4 0.328 -3.475 13.060 1.00 0.41 O ATOM 56 CB THR A 4 2.757 -2.623 10.874 1.00 0.26 C ATOM 57 OG1 THR A 4 2.300 -2.447 9.526 1.00 0.23 O ATOM 58 CG2 THR A 4 4.272 -2.756 10.865 1.00 0.27 C ATOM 0 H THR A 4 2.108 -4.716 9.581 1.00 0.23 H new ATOM 0 HA THR A 4 2.630 -4.141 12.397 1.00 0.26 H new ATOM 0 HB THR A 4 2.481 -1.762 11.482 1.00 0.26 H new ATOM 0 HG1 THR A 4 1.394 -2.074 9.534 1.00 0.23 H new ATOM 0 HG21 THR A 4 4.713 -1.861 10.427 1.00 0.27 H new ATOM 0 HG22 THR A 4 4.633 -2.876 11.887 1.00 0.27 H new ATOM 0 HG23 THR A 4 4.557 -3.627 10.275 1.00 0.27 H new ATOM 66 N GLY A 5 -0.214 -3.457 10.883 1.00 0.21 N ATOM 67 CA GLY A 5 -1.624 -3.271 11.157 1.00 0.24 C ATOM 68 C GLY A 5 -1.978 -1.845 11.520 1.00 0.25 C ATOM 69 O GLY A 5 -2.657 -1.597 12.517 1.00 0.32 O ATOM 0 H GLY A 5 0.033 -3.484 9.894 1.00 0.21 H new ATOM 0 HA2 GLY A 5 -2.200 -3.570 10.281 1.00 0.24 H new ATOM 0 HA3 GLY A 5 -1.919 -3.931 11.973 1.00 0.24 H new ATOM 73 N ILE A 6 -1.524 -0.906 10.708 1.00 0.21 N ATOM 74 CA ILE A 6 -1.906 0.487 10.870 1.00 0.22 C ATOM 75 C ILE A 6 -2.868 0.873 9.759 1.00 0.19 C ATOM 76 O ILE A 6 -2.503 0.888 8.592 1.00 0.17 O ATOM 77 CB ILE A 6 -0.680 1.448 10.891 1.00 0.23 C ATOM 78 CG1 ILE A 6 -1.109 2.897 10.621 1.00 0.26 C ATOM 79 CG2 ILE A 6 0.380 1.016 9.888 1.00 0.20 C ATOM 80 CD1 ILE A 6 -2.058 3.471 11.654 1.00 0.31 C ATOM 0 H ILE A 6 -0.890 -1.083 9.929 1.00 0.21 H new ATOM 0 HA ILE A 6 -2.393 0.589 11.840 1.00 0.22 H new ATOM 0 HB ILE A 6 -0.245 1.397 11.889 1.00 0.23 H new ATOM 0 HG12 ILE A 6 -0.219 3.524 10.575 1.00 0.26 H new ATOM 0 HG13 ILE A 6 -1.585 2.946 9.641 1.00 0.26 H new ATOM 0 HG21 ILE A 6 1.222 1.707 9.928 1.00 0.20 H new ATOM 0 HG22 ILE A 6 0.724 0.011 10.132 1.00 0.20 H new ATOM 0 HG23 ILE A 6 -0.046 1.020 8.885 1.00 0.20 H new ATOM 0 HD11 ILE A 6 -2.310 4.497 11.386 1.00 0.31 H new ATOM 0 HD12 ILE A 6 -2.967 2.871 11.686 1.00 0.31 H new ATOM 0 HD13 ILE A 6 -1.580 3.458 12.634 1.00 0.31 H new ATOM 92 N VAL A 7 -4.106 1.151 10.124 1.00 0.24 N ATOM 93 CA VAL A 7 -5.121 1.500 9.149 1.00 0.22 C ATOM 94 C VAL A 7 -5.045 2.986 8.794 1.00 0.23 C ATOM 95 O VAL A 7 -4.919 3.841 9.672 1.00 0.28 O ATOM 96 CB VAL A 7 -6.537 1.139 9.651 1.00 0.23 C ATOM 97 CG1 VAL A 7 -7.608 1.802 8.791 1.00 0.24 C ATOM 98 CG2 VAL A 7 -6.715 -0.372 9.650 1.00 0.23 C ATOM 0 H VAL A 7 -4.433 1.142 11.090 1.00 0.24 H new ATOM 0 HA VAL A 7 -4.925 0.916 8.250 1.00 0.22 H new ATOM 0 HB VAL A 7 -6.648 1.511 10.670 1.00 0.23 H new ATOM 0 HG11 VAL A 7 -8.595 1.531 9.166 1.00 0.24 H new ATOM 0 HG12 VAL A 7 -7.489 2.885 8.832 1.00 0.24 H new ATOM 0 HG13 VAL A 7 -7.507 1.464 7.760 1.00 0.24 H new ATOM 0 HG21 VAL A 7 -7.715 -0.621 10.005 1.00 0.23 H new ATOM 0 HG22 VAL A 7 -6.584 -0.753 8.637 1.00 0.23 H new ATOM 0 HG23 VAL A 7 -5.973 -0.826 10.307 1.00 0.23 H new ATOM 108 N ARG A 8 -5.135 3.287 7.503 1.00 0.22 N ATOM 109 CA ARG A 8 -5.069 4.638 6.986 1.00 0.25 C ATOM 110 C ARG A 8 -6.269 4.838 6.066 1.00 0.23 C ATOM 111 O ARG A 8 -6.463 4.068 5.132 1.00 0.26 O ATOM 112 CB ARG A 8 -3.748 4.825 6.199 1.00 0.26 C ATOM 113 CG ARG A 8 -3.820 5.746 4.965 1.00 0.27 C ATOM 114 CD ARG A 8 -4.381 7.127 5.268 1.00 0.31 C ATOM 115 NE ARG A 8 -3.573 7.891 6.214 1.00 1.12 N ATOM 116 CZ ARG A 8 -3.838 9.152 6.551 1.00 1.16 C ATOM 117 NH1 ARG A 8 -4.851 9.795 5.983 1.00 0.64 N ATOM 118 NH2 ARG A 8 -3.080 9.776 7.445 1.00 1.99 N ATOM 0 H ARG A 8 -5.258 2.581 6.777 1.00 0.22 H new ATOM 0 HA ARG A 8 -5.091 5.368 7.795 1.00 0.25 H new ATOM 0 HB2 ARG A 8 -2.996 5.222 6.880 1.00 0.26 H new ATOM 0 HB3 ARG A 8 -3.399 3.844 5.876 1.00 0.26 H new ATOM 0 HG2 ARG A 8 -2.821 5.853 4.543 1.00 0.27 H new ATOM 0 HG3 ARG A 8 -4.438 5.271 4.203 1.00 0.27 H new ATOM 0 HD2 ARG A 8 -4.464 7.689 4.337 1.00 0.31 H new ATOM 0 HD3 ARG A 8 -5.390 7.021 5.667 1.00 0.31 H new ATOM 0 HE ARG A 8 -2.765 7.436 6.638 1.00 1.12 H new ATOM 0 HH11 ARG A 8 -5.428 9.323 5.287 1.00 0.64 H new ATOM 0 HH12 ARG A 8 -5.052 10.761 6.243 1.00 0.64 H new ATOM 0 HH21 ARG A 8 -2.293 9.290 7.875 1.00 1.99 H new ATOM 0 HH22 ARG A 8 -3.284 10.742 7.702 1.00 1.99 H new ATOM 132 N ARG A 9 -7.086 5.837 6.343 1.00 0.19 N ATOM 133 CA ARG A 9 -8.167 6.186 5.435 1.00 0.18 C ATOM 134 C ARG A 9 -7.612 7.100 4.363 1.00 0.20 C ATOM 135 O ARG A 9 -7.355 8.268 4.646 1.00 0.22 O ATOM 136 CB ARG A 9 -9.292 6.888 6.182 1.00 0.19 C ATOM 137 CG ARG A 9 -10.625 6.849 5.465 1.00 0.28 C ATOM 138 CD ARG A 9 -11.595 5.920 6.173 1.00 0.62 C ATOM 139 NE ARG A 9 -11.706 6.234 7.596 1.00 1.45 N ATOM 140 CZ ARG A 9 -12.281 5.436 8.490 1.00 1.80 C ATOM 141 NH1 ARG A 9 -12.895 4.329 8.100 1.00 1.59 N ATOM 142 NH2 ARG A 9 -12.260 5.760 9.775 1.00 2.80 N ATOM 0 H ARG A 9 -7.025 6.417 7.180 1.00 0.19 H new ATOM 0 HA ARG A 9 -8.574 5.279 4.987 1.00 0.18 H new ATOM 0 HB2 ARG A 9 -9.405 6.428 7.164 1.00 0.19 H new ATOM 0 HB3 ARG A 9 -9.011 7.928 6.348 1.00 0.19 H new ATOM 0 HG2 ARG A 9 -11.046 7.853 5.417 1.00 0.28 H new ATOM 0 HG3 ARG A 9 -10.480 6.515 4.438 1.00 0.28 H new ATOM 0 HD2 ARG A 9 -12.577 5.996 5.706 1.00 0.62 H new ATOM 0 HD3 ARG A 9 -11.264 4.889 6.053 1.00 0.62 H new ATOM 0 HE ARG A 9 -11.319 7.119 7.923 1.00 1.45 H new ATOM 0 HH11 ARG A 9 -12.928 4.086 7.110 1.00 1.59 H new ATOM 0 HH12 ARG A 9 -13.335 3.720 8.790 1.00 1.59 H new ATOM 0 HH21 ARG A 9 -11.803 6.621 10.077 1.00 2.80 H new ATOM 0 HH22 ARG A 9 -12.701 5.149 10.462 1.00 2.80 H new ATOM 156 N ILE A 10 -7.418 6.531 3.164 1.00 0.21 N ATOM 157 CA ILE A 10 -6.818 7.208 1.991 1.00 0.24 C ATOM 158 C ILE A 10 -6.681 8.735 2.130 1.00 0.29 C ATOM 159 O ILE A 10 -5.775 9.205 2.829 1.00 0.33 O ATOM 160 CB ILE A 10 -7.577 6.851 0.677 1.00 0.22 C ATOM 161 CG1 ILE A 10 -9.072 6.563 0.923 1.00 0.21 C ATOM 162 CG2 ILE A 10 -6.915 5.649 0.030 1.00 0.21 C ATOM 163 CD1 ILE A 10 -9.757 7.566 1.815 1.00 0.22 C ATOM 0 H ILE A 10 -7.678 5.564 2.972 1.00 0.21 H new ATOM 0 HA ILE A 10 -5.800 6.820 1.941 1.00 0.24 H new ATOM 0 HB ILE A 10 -7.524 7.714 0.014 1.00 0.22 H new ATOM 0 HG12 ILE A 10 -9.588 6.536 -0.037 1.00 0.21 H new ATOM 0 HG13 ILE A 10 -9.171 5.572 1.366 1.00 0.21 H new ATOM 0 HG21 ILE A 10 -7.442 5.395 -0.890 1.00 0.21 H new ATOM 0 HG22 ILE A 10 -5.876 5.886 -0.200 1.00 0.21 H new ATOM 0 HG23 ILE A 10 -6.951 4.802 0.715 1.00 0.21 H new ATOM 0 HD11 ILE A 10 -10.804 7.290 1.936 1.00 0.22 H new ATOM 0 HD12 ILE A 10 -9.270 7.578 2.790 1.00 0.22 H new ATOM 0 HD13 ILE A 10 -9.693 8.557 1.365 1.00 0.22 H new ATOM 175 N ASP A 11 -7.571 9.482 1.464 1.00 0.30 N ATOM 176 CA ASP A 11 -7.627 10.942 1.533 1.00 0.36 C ATOM 177 C ASP A 11 -8.412 11.435 0.338 1.00 0.36 C ATOM 178 O ASP A 11 -9.134 10.661 -0.276 1.00 0.36 O ATOM 179 CB ASP A 11 -6.236 11.602 1.534 1.00 0.37 C ATOM 180 CG ASP A 11 -5.525 11.537 0.192 1.00 0.34 C ATOM 181 OD1 ASP A 11 -5.064 10.445 -0.199 1.00 1.13 O ATOM 182 OD2 ASP A 11 -5.413 12.585 -0.471 1.00 1.12 O ATOM 0 H ASP A 11 -8.282 9.079 0.853 1.00 0.30 H new ATOM 0 HA ASP A 11 -8.103 11.216 2.475 1.00 0.36 H new ATOM 0 HB2 ASP A 11 -6.340 12.646 1.829 1.00 0.37 H new ATOM 0 HB3 ASP A 11 -5.615 11.118 2.288 1.00 0.37 H new ATOM 187 N ASP A 12 -8.243 12.701 -0.006 1.00 0.41 N ATOM 188 CA ASP A 12 -8.969 13.301 -1.119 1.00 0.43 C ATOM 189 C ASP A 12 -8.435 12.790 -2.456 1.00 0.37 C ATOM 190 O ASP A 12 -9.128 12.832 -3.473 1.00 0.50 O ATOM 191 CB ASP A 12 -8.858 14.824 -1.058 1.00 0.54 C ATOM 192 CG ASP A 12 -9.681 15.507 -2.130 1.00 1.38 C ATOM 193 OD1 ASP A 12 -10.904 15.672 -1.933 1.00 1.98 O ATOM 194 OD2 ASP A 12 -9.109 15.889 -3.173 1.00 2.26 O ATOM 0 H ASP A 12 -7.606 13.339 0.471 1.00 0.41 H new ATOM 0 HA ASP A 12 -10.018 13.015 -1.037 1.00 0.43 H new ATOM 0 HB2 ASP A 12 -9.185 15.170 -0.077 1.00 0.54 H new ATOM 0 HB3 ASP A 12 -7.813 15.114 -1.166 1.00 0.54 H new ATOM 199 N LEU A 13 -7.198 12.320 -2.452 1.00 0.32 N ATOM 200 CA LEU A 13 -6.585 11.771 -3.648 1.00 0.29 C ATOM 201 C LEU A 13 -6.676 10.247 -3.636 1.00 0.24 C ATOM 202 O LEU A 13 -7.287 9.654 -4.525 1.00 0.26 O ATOM 203 CB LEU A 13 -5.127 12.237 -3.759 1.00 0.32 C ATOM 204 CG LEU A 13 -4.436 11.989 -5.110 1.00 0.40 C ATOM 205 CD1 LEU A 13 -4.028 10.531 -5.271 1.00 0.36 C ATOM 206 CD2 LEU A 13 -5.342 12.407 -6.258 1.00 0.53 C ATOM 0 H LEU A 13 -6.597 12.308 -1.628 1.00 0.32 H new ATOM 0 HA LEU A 13 -7.124 12.135 -4.522 1.00 0.29 H new ATOM 0 HB2 LEU A 13 -5.092 13.306 -3.547 1.00 0.32 H new ATOM 0 HB3 LEU A 13 -4.548 11.739 -2.981 1.00 0.32 H new ATOM 0 HG LEU A 13 -3.531 12.596 -5.131 1.00 0.40 H new ATOM 0 HD11 LEU A 13 -3.543 10.394 -6.237 1.00 0.36 H new ATOM 0 HD12 LEU A 13 -3.336 10.257 -4.475 1.00 0.36 H new ATOM 0 HD13 LEU A 13 -4.913 9.897 -5.216 1.00 0.36 H new ATOM 0 HD21 LEU A 13 -4.836 12.224 -7.206 1.00 0.53 H new ATOM 0 HD22 LEU A 13 -6.265 11.829 -6.222 1.00 0.53 H new ATOM 0 HD23 LEU A 13 -5.575 13.468 -6.170 1.00 0.53 H new ATOM 218 N GLY A 14 -6.080 9.618 -2.630 1.00 0.21 N ATOM 219 CA GLY A 14 -6.108 8.175 -2.560 1.00 0.19 C ATOM 220 C GLY A 14 -4.771 7.564 -2.183 1.00 0.19 C ATOM 221 O GLY A 14 -4.551 6.376 -2.402 1.00 0.22 O ATOM 0 H GLY A 14 -5.582 10.080 -1.869 1.00 0.21 H new ATOM 0 HA2 GLY A 14 -6.858 7.868 -1.831 1.00 0.19 H new ATOM 0 HA3 GLY A 14 -6.421 7.778 -3.525 1.00 0.19 H new ATOM 225 N ARG A 15 -3.867 8.348 -1.603 1.00 0.19 N ATOM 226 CA ARG A 15 -2.576 7.800 -1.217 1.00 0.20 C ATOM 227 C ARG A 15 -2.716 7.037 0.075 1.00 0.17 C ATOM 228 O ARG A 15 -3.586 7.323 0.897 1.00 0.17 O ATOM 229 CB ARG A 15 -1.480 8.849 -1.013 1.00 0.25 C ATOM 230 CG ARG A 15 -1.498 10.002 -1.980 1.00 0.25 C ATOM 231 CD ARG A 15 -2.412 11.070 -1.464 1.00 0.29 C ATOM 232 NE ARG A 15 -2.147 12.369 -2.074 1.00 0.40 N ATOM 233 CZ ARG A 15 -2.105 13.507 -1.388 1.00 0.54 C ATOM 234 NH1 ARG A 15 -2.342 13.506 -0.082 1.00 0.67 N ATOM 235 NH2 ARG A 15 -1.826 14.643 -2.009 1.00 0.69 N ATOM 0 H ARG A 15 -4.000 9.338 -1.395 1.00 0.19 H new ATOM 0 HA ARG A 15 -2.273 7.163 -2.048 1.00 0.20 H new ATOM 0 HB2 ARG A 15 -1.564 9.245 -0.001 1.00 0.25 H new ATOM 0 HB3 ARG A 15 -0.511 8.355 -1.082 1.00 0.25 H new ATOM 0 HG2 ARG A 15 -0.491 10.400 -2.107 1.00 0.25 H new ATOM 0 HG3 ARG A 15 -1.833 9.664 -2.960 1.00 0.25 H new ATOM 0 HD2 ARG A 15 -3.446 10.785 -1.657 1.00 0.29 H new ATOM 0 HD3 ARG A 15 -2.300 11.149 -0.383 1.00 0.29 H new ATOM 0 HE ARG A 15 -1.985 12.406 -3.080 1.00 0.40 H new ATOM 0 HH11 ARG A 15 -2.557 12.631 0.397 1.00 0.67 H new ATOM 0 HH12 ARG A 15 -2.309 14.380 0.443 1.00 0.67 H new ATOM 0 HH21 ARG A 15 -1.644 14.644 -3.013 1.00 0.69 H new ATOM 0 HH22 ARG A 15 -1.794 15.517 -1.484 1.00 0.69 H new ATOM 249 N VAL A 16 -1.846 6.081 0.258 1.00 0.18 N ATOM 250 CA VAL A 16 -1.763 5.388 1.506 1.00 0.20 C ATOM 251 C VAL A 16 -0.546 5.896 2.229 1.00 0.19 C ATOM 252 O VAL A 16 0.582 5.541 1.899 1.00 0.21 O ATOM 253 CB VAL A 16 -1.691 3.868 1.316 1.00 0.29 C ATOM 254 CG1 VAL A 16 -1.564 3.169 2.655 1.00 1.11 C ATOM 255 CG2 VAL A 16 -2.921 3.383 0.568 1.00 1.24 C ATOM 0 H VAL A 16 -1.182 5.766 -0.449 1.00 0.18 H new ATOM 0 HA VAL A 16 -2.664 5.579 2.089 1.00 0.20 H new ATOM 0 HB VAL A 16 -0.806 3.627 0.727 1.00 0.29 H new ATOM 0 HG11 VAL A 16 -1.514 2.091 2.500 1.00 1.11 H new ATOM 0 HG12 VAL A 16 -0.657 3.506 3.156 1.00 1.11 H new ATOM 0 HG13 VAL A 16 -2.430 3.407 3.273 1.00 1.11 H new ATOM 0 HG21 VAL A 16 -2.864 2.303 0.436 1.00 1.24 H new ATOM 0 HG22 VAL A 16 -3.816 3.632 1.139 1.00 1.24 H new ATOM 0 HG23 VAL A 16 -2.967 3.866 -0.408 1.00 1.24 H new ATOM 265 N VAL A 17 -0.786 6.787 3.166 1.00 0.20 N ATOM 266 CA VAL A 17 0.290 7.466 3.846 1.00 0.21 C ATOM 267 C VAL A 17 1.060 6.488 4.718 1.00 0.21 C ATOM 268 O VAL A 17 0.631 6.145 5.820 1.00 0.26 O ATOM 269 CB VAL A 17 -0.233 8.640 4.695 1.00 0.25 C ATOM 270 CG1 VAL A 17 0.905 9.313 5.444 1.00 0.28 C ATOM 271 CG2 VAL A 17 -0.968 9.643 3.817 1.00 0.27 C ATOM 0 H VAL A 17 -1.720 7.057 3.474 1.00 0.20 H new ATOM 0 HA VAL A 17 0.960 7.874 3.089 1.00 0.21 H new ATOM 0 HB VAL A 17 -0.935 8.247 5.431 1.00 0.25 H new ATOM 0 HG11 VAL A 17 0.512 10.139 6.037 1.00 0.28 H new ATOM 0 HG12 VAL A 17 1.385 8.589 6.103 1.00 0.28 H new ATOM 0 HG13 VAL A 17 1.635 9.694 4.730 1.00 0.28 H new ATOM 0 HG21 VAL A 17 -1.332 10.467 4.431 1.00 0.27 H new ATOM 0 HG22 VAL A 17 -0.288 10.029 3.058 1.00 0.27 H new ATOM 0 HG23 VAL A 17 -1.812 9.152 3.332 1.00 0.27 H new ATOM 281 N ILE A 18 2.180 6.019 4.199 1.00 0.20 N ATOM 282 CA ILE A 18 3.001 5.058 4.899 1.00 0.22 C ATOM 283 C ILE A 18 4.069 5.760 5.724 1.00 0.20 C ATOM 284 O ILE A 18 4.936 6.447 5.185 1.00 0.21 O ATOM 285 CB ILE A 18 3.636 4.041 3.916 1.00 0.26 C ATOM 286 CG1 ILE A 18 2.581 3.012 3.498 1.00 0.42 C ATOM 287 CG2 ILE A 18 4.850 3.355 4.534 1.00 0.25 C ATOM 288 CD1 ILE A 18 3.136 1.862 2.689 1.00 0.77 C ATOM 0 H ILE A 18 2.541 6.294 3.286 1.00 0.20 H new ATOM 0 HA ILE A 18 2.358 4.501 5.581 1.00 0.22 H new ATOM 0 HB ILE A 18 3.984 4.577 3.033 1.00 0.26 H new ATOM 0 HG12 ILE A 18 2.099 2.616 4.392 1.00 0.42 H new ATOM 0 HG13 ILE A 18 1.808 3.514 2.916 1.00 0.42 H new ATOM 0 HG21 ILE A 18 5.272 2.648 3.819 1.00 0.25 H new ATOM 0 HG22 ILE A 18 5.600 4.104 4.790 1.00 0.25 H new ATOM 0 HG23 ILE A 18 4.547 2.822 5.435 1.00 0.25 H new ATOM 0 HD11 ILE A 18 2.329 1.176 2.431 1.00 0.77 H new ATOM 0 HD12 ILE A 18 3.592 2.246 1.776 1.00 0.77 H new ATOM 0 HD13 ILE A 18 3.888 1.334 3.276 1.00 0.77 H new ATOM 300 N PRO A 19 3.970 5.640 7.058 1.00 0.23 N ATOM 301 CA PRO A 19 4.979 6.147 7.980 1.00 0.26 C ATOM 302 C PRO A 19 6.394 5.792 7.558 1.00 0.24 C ATOM 303 O PRO A 19 6.652 4.716 7.011 1.00 0.23 O ATOM 304 CB PRO A 19 4.629 5.441 9.279 1.00 0.29 C ATOM 305 CG PRO A 19 3.153 5.330 9.222 1.00 0.32 C ATOM 306 CD PRO A 19 2.843 5.019 7.783 1.00 0.29 C ATOM 0 HA PRO A 19 4.969 7.235 8.038 1.00 0.26 H new ATOM 0 HB2 PRO A 19 5.103 4.462 9.345 1.00 0.29 H new ATOM 0 HB3 PRO A 19 4.956 6.012 10.148 1.00 0.29 H new ATOM 0 HG2 PRO A 19 2.790 4.543 9.883 1.00 0.32 H new ATOM 0 HG3 PRO A 19 2.675 6.257 9.538 1.00 0.32 H new ATOM 0 HD2 PRO A 19 2.791 3.945 7.604 1.00 0.29 H new ATOM 0 HD3 PRO A 19 1.885 5.440 7.477 1.00 0.29 H new ATOM 314 N LYS A 20 7.313 6.694 7.840 1.00 0.27 N ATOM 315 CA LYS A 20 8.709 6.486 7.510 1.00 0.28 C ATOM 316 C LYS A 20 9.268 5.262 8.216 1.00 0.25 C ATOM 317 O LYS A 20 10.308 4.774 7.833 1.00 0.26 O ATOM 318 CB LYS A 20 9.558 7.698 7.878 1.00 0.35 C ATOM 319 CG LYS A 20 9.440 8.088 9.342 1.00 0.40 C ATOM 320 CD LYS A 20 8.232 8.970 9.581 1.00 0.55 C ATOM 321 CE LYS A 20 8.556 10.435 9.333 1.00 0.77 C ATOM 322 NZ LYS A 20 9.639 10.913 10.234 1.00 1.57 N ATOM 0 H LYS A 20 7.116 7.583 8.300 1.00 0.27 H new ATOM 0 HA LYS A 20 8.753 6.333 6.432 1.00 0.28 H new ATOM 0 HB2 LYS A 20 10.602 7.486 7.648 1.00 0.35 H new ATOM 0 HB3 LYS A 20 9.261 8.544 7.258 1.00 0.35 H new ATOM 0 HG2 LYS A 20 9.364 7.190 9.955 1.00 0.40 H new ATOM 0 HG3 LYS A 20 10.343 8.612 9.655 1.00 0.40 H new ATOM 0 HD2 LYS A 20 7.418 8.660 8.926 1.00 0.55 H new ATOM 0 HD3 LYS A 20 7.883 8.842 10.606 1.00 0.55 H new ATOM 0 HE2 LYS A 20 8.858 10.571 8.295 1.00 0.77 H new ATOM 0 HE3 LYS A 20 7.661 11.038 9.486 1.00 0.77 H new ATOM 0 HZ1 LYS A 20 9.518 11.930 10.413 1.00 1.57 H new ATOM 0 HZ2 LYS A 20 9.595 10.395 11.135 1.00 1.57 H new ATOM 0 HZ3 LYS A 20 10.562 10.748 9.785 1.00 1.57 H new ATOM 336 N GLU A 21 8.580 4.772 9.244 1.00 0.24 N ATOM 337 CA GLU A 21 9.055 3.620 10.010 1.00 0.24 C ATOM 338 C GLU A 21 9.070 2.345 9.166 1.00 0.22 C ATOM 339 O GLU A 21 9.817 1.405 9.459 1.00 0.23 O ATOM 340 CB GLU A 21 8.204 3.421 11.261 1.00 0.27 C ATOM 341 CG GLU A 21 6.742 3.143 10.974 1.00 0.35 C ATOM 342 CD GLU A 21 5.894 3.253 12.218 1.00 0.73 C ATOM 343 OE1 GLU A 21 5.835 2.279 12.993 1.00 1.30 O ATOM 344 OE2 GLU A 21 5.303 4.329 12.436 1.00 1.32 O ATOM 0 H GLU A 21 7.691 5.154 9.567 1.00 0.24 H new ATOM 0 HA GLU A 21 10.082 3.828 10.311 1.00 0.24 H new ATOM 0 HB2 GLU A 21 8.614 2.593 11.839 1.00 0.27 H new ATOM 0 HB3 GLU A 21 8.278 4.312 11.884 1.00 0.27 H new ATOM 0 HG2 GLU A 21 6.379 3.846 10.224 1.00 0.35 H new ATOM 0 HG3 GLU A 21 6.639 2.144 10.551 1.00 0.35 H new ATOM 351 N ILE A 22 8.315 2.332 8.075 1.00 0.23 N ATOM 352 CA ILE A 22 8.277 1.161 7.227 1.00 0.25 C ATOM 353 C ILE A 22 9.411 1.277 6.221 1.00 0.24 C ATOM 354 O ILE A 22 10.226 0.376 6.091 1.00 0.25 O ATOM 355 CB ILE A 22 6.923 0.996 6.503 1.00 0.29 C ATOM 356 CG1 ILE A 22 5.803 0.859 7.531 1.00 0.27 C ATOM 357 CG2 ILE A 22 6.950 -0.220 5.585 1.00 0.35 C ATOM 358 CD1 ILE A 22 5.122 2.159 7.883 1.00 0.25 C ATOM 0 H ILE A 22 7.731 3.109 7.765 1.00 0.23 H new ATOM 0 HA ILE A 22 8.396 0.273 7.847 1.00 0.25 H new ATOM 0 HB ILE A 22 6.741 1.880 5.892 1.00 0.29 H new ATOM 0 HG12 ILE A 22 5.057 0.163 7.148 1.00 0.27 H new ATOM 0 HG13 ILE A 22 6.212 0.418 8.440 1.00 0.27 H new ATOM 0 HG21 ILE A 22 5.987 -0.319 5.084 1.00 0.35 H new ATOM 0 HG22 ILE A 22 7.736 -0.096 4.840 1.00 0.35 H new ATOM 0 HG23 ILE A 22 7.147 -1.116 6.174 1.00 0.35 H new ATOM 0 HD11 ILE A 22 4.340 1.972 8.619 1.00 0.25 H new ATOM 0 HD12 ILE A 22 5.853 2.852 8.299 1.00 0.25 H new ATOM 0 HD13 ILE A 22 4.680 2.593 6.986 1.00 0.25 H new ATOM 370 N ARG A 23 9.474 2.432 5.558 1.00 0.23 N ATOM 371 CA ARG A 23 10.594 2.788 4.681 1.00 0.22 C ATOM 372 C ARG A 23 11.915 2.716 5.449 1.00 0.23 C ATOM 373 O ARG A 23 12.965 2.398 4.894 1.00 0.24 O ATOM 374 CB ARG A 23 10.317 4.186 4.085 1.00 0.24 C ATOM 375 CG ARG A 23 11.520 5.108 3.911 1.00 0.48 C ATOM 376 CD ARG A 23 11.901 5.785 5.216 1.00 0.39 C ATOM 377 NE ARG A 23 12.532 7.089 5.021 1.00 0.82 N ATOM 378 CZ ARG A 23 13.686 7.456 5.576 1.00 0.96 C ATOM 379 NH1 ARG A 23 14.400 6.586 6.281 1.00 1.34 N ATOM 380 NH2 ARG A 23 14.130 8.693 5.407 1.00 1.50 N ATOM 0 H ARG A 23 8.750 3.149 5.613 1.00 0.23 H new ATOM 0 HA ARG A 23 10.686 2.079 3.858 1.00 0.22 H new ATOM 0 HB2 ARG A 23 9.846 4.053 3.111 1.00 0.24 H new ATOM 0 HB3 ARG A 23 9.591 4.690 4.723 1.00 0.24 H new ATOM 0 HG2 ARG A 23 12.368 4.534 3.538 1.00 0.48 H new ATOM 0 HG3 ARG A 23 11.293 5.865 3.161 1.00 0.48 H new ATOM 0 HD2 ARG A 23 11.008 5.908 5.829 1.00 0.39 H new ATOM 0 HD3 ARG A 23 12.581 5.138 5.769 1.00 0.39 H new ATOM 0 HE ARG A 23 12.057 7.763 4.420 1.00 0.82 H new ATOM 0 HH11 ARG A 23 14.066 5.630 6.400 1.00 1.34 H new ATOM 0 HH12 ARG A 23 15.283 6.874 6.703 1.00 1.34 H new ATOM 0 HH21 ARG A 23 13.589 9.358 4.855 1.00 1.50 H new ATOM 0 HH22 ARG A 23 15.013 8.980 5.829 1.00 1.50 H new ATOM 394 N ARG A 24 11.839 3.016 6.731 1.00 0.24 N ATOM 395 CA ARG A 24 12.962 2.885 7.636 1.00 0.27 C ATOM 396 C ARG A 24 13.395 1.433 7.758 1.00 0.29 C ATOM 397 O ARG A 24 14.571 1.124 7.557 1.00 0.32 O ATOM 398 CB ARG A 24 12.586 3.469 8.999 1.00 0.31 C ATOM 399 CG ARG A 24 13.329 2.881 10.179 1.00 0.39 C ATOM 400 CD ARG A 24 12.822 3.478 11.477 1.00 0.45 C ATOM 401 NE ARG A 24 13.121 2.626 12.624 1.00 1.39 N ATOM 402 CZ ARG A 24 12.302 2.464 13.662 1.00 1.90 C ATOM 403 NH1 ARG A 24 11.180 3.175 13.744 1.00 1.52 N ATOM 404 NH2 ARG A 24 12.619 1.612 14.630 1.00 2.96 N ATOM 0 H ARG A 24 10.989 3.360 7.177 1.00 0.24 H new ATOM 0 HA ARG A 24 13.810 3.441 7.237 1.00 0.27 H new ATOM 0 HB2 ARG A 24 12.764 4.544 8.977 1.00 0.31 H new ATOM 0 HB3 ARG A 24 11.517 3.326 9.155 1.00 0.31 H new ATOM 0 HG2 ARG A 24 13.200 1.799 10.195 1.00 0.39 H new ATOM 0 HG3 ARG A 24 14.397 3.073 10.076 1.00 0.39 H new ATOM 0 HD2 ARG A 24 13.274 4.459 11.626 1.00 0.45 H new ATOM 0 HD3 ARG A 24 11.745 3.631 11.410 1.00 0.45 H new ATOM 0 HE ARG A 24 14.010 2.125 12.631 1.00 1.39 H new ATOM 0 HH11 ARG A 24 10.946 3.845 13.011 1.00 1.52 H new ATOM 0 HH12 ARG A 24 10.554 3.050 14.539 1.00 1.52 H new ATOM 0 HH21 ARG A 24 13.489 1.082 14.578 1.00 2.96 H new ATOM 0 HH22 ARG A 24 11.992 1.487 15.425 1.00 2.96 H new ATOM 418 N THR A 25 12.458 0.528 8.062 1.00 0.29 N ATOM 419 CA THR A 25 12.762 -0.898 8.105 1.00 0.31 C ATOM 420 C THR A 25 13.104 -1.420 6.709 1.00 0.30 C ATOM 421 O THR A 25 13.765 -2.437 6.558 1.00 0.33 O ATOM 422 CB THR A 25 11.557 -1.679 8.667 1.00 0.34 C ATOM 423 OG1 THR A 25 11.120 -1.072 9.895 1.00 0.36 O ATOM 424 CG2 THR A 25 11.914 -3.137 8.922 1.00 0.40 C ATOM 0 H THR A 25 11.489 0.761 8.280 1.00 0.29 H new ATOM 0 HA THR A 25 13.624 -1.044 8.755 1.00 0.31 H new ATOM 0 HB THR A 25 10.756 -1.646 7.928 1.00 0.34 H new ATOM 0 HG1 THR A 25 10.608 -0.261 9.695 1.00 0.36 H new ATOM 0 HG21 THR A 25 11.044 -3.661 9.318 1.00 0.40 H new ATOM 0 HG22 THR A 25 12.225 -3.604 7.988 1.00 0.40 H new ATOM 0 HG23 THR A 25 12.729 -3.191 9.643 1.00 0.40 H new ATOM 432 N LEU A 26 12.637 -0.708 5.696 1.00 0.27 N ATOM 433 CA LEU A 26 12.983 -0.999 4.312 1.00 0.28 C ATOM 434 C LEU A 26 14.470 -0.755 4.067 1.00 0.31 C ATOM 435 O LEU A 26 15.037 -1.292 3.115 1.00 0.36 O ATOM 436 CB LEU A 26 12.154 -0.110 3.372 1.00 0.25 C ATOM 437 CG LEU A 26 10.979 -0.789 2.664 1.00 0.26 C ATOM 438 CD1 LEU A 26 11.480 -1.900 1.770 1.00 0.32 C ATOM 439 CD2 LEU A 26 9.972 -1.330 3.664 1.00 0.26 C ATOM 0 H LEU A 26 12.008 0.087 5.809 1.00 0.27 H new ATOM 0 HA LEU A 26 12.763 -2.048 4.113 1.00 0.28 H new ATOM 0 HB2 LEU A 26 11.768 0.731 3.948 1.00 0.25 H new ATOM 0 HB3 LEU A 26 12.820 0.302 2.614 1.00 0.25 H new ATOM 0 HG LEU A 26 10.475 -0.041 2.052 1.00 0.26 H new ATOM 0 HD11 LEU A 26 10.635 -2.375 1.272 1.00 0.32 H new ATOM 0 HD12 LEU A 26 12.157 -1.488 1.022 1.00 0.32 H new ATOM 0 HD13 LEU A 26 12.010 -2.639 2.371 1.00 0.32 H new ATOM 0 HD21 LEU A 26 9.149 -1.806 3.131 1.00 0.26 H new ATOM 0 HD22 LEU A 26 10.458 -2.062 4.310 1.00 0.26 H new ATOM 0 HD23 LEU A 26 9.585 -0.511 4.270 1.00 0.26 H new ATOM 451 N ARG A 27 15.085 0.036 4.959 1.00 0.32 N ATOM 452 CA ARG A 27 16.465 0.507 4.806 1.00 0.40 C ATOM 453 C ARG A 27 16.547 1.562 3.709 1.00 0.39 C ATOM 454 O ARG A 27 17.618 1.836 3.166 1.00 0.46 O ATOM 455 CB ARG A 27 17.429 -0.646 4.501 1.00 0.51 C ATOM 456 CG ARG A 27 18.044 -1.298 5.734 1.00 0.78 C ATOM 457 CD ARG A 27 17.018 -2.057 6.560 1.00 0.90 C ATOM 458 NE ARG A 27 16.437 -3.183 5.828 1.00 1.76 N ATOM 459 CZ ARG A 27 15.971 -4.291 6.413 1.00 2.28 C ATOM 460 NH1 ARG A 27 16.112 -4.467 7.722 1.00 2.36 N ATOM 461 NH2 ARG A 27 15.379 -5.226 5.680 1.00 3.20 N ATOM 0 H ARG A 27 14.634 0.368 5.811 1.00 0.32 H new ATOM 0 HA ARG A 27 16.767 0.951 5.755 1.00 0.40 H new ATOM 0 HB2 ARG A 27 16.896 -1.407 3.931 1.00 0.51 H new ATOM 0 HB3 ARG A 27 18.231 -0.273 3.864 1.00 0.51 H new ATOM 0 HG2 ARG A 27 18.835 -1.981 5.424 1.00 0.78 H new ATOM 0 HG3 ARG A 27 18.510 -0.531 6.353 1.00 0.78 H new ATOM 0 HD2 ARG A 27 17.489 -2.424 7.472 1.00 0.90 H new ATOM 0 HD3 ARG A 27 16.223 -1.375 6.864 1.00 0.90 H new ATOM 0 HE ARG A 27 16.384 -3.119 4.811 1.00 1.76 H new ATOM 0 HH11 ARG A 27 16.577 -3.755 8.285 1.00 2.36 H new ATOM 0 HH12 ARG A 27 15.755 -5.314 8.164 1.00 2.36 H new ATOM 0 HH21 ARG A 27 15.281 -5.098 4.673 1.00 3.20 H new ATOM 0 HH22 ARG A 27 15.023 -6.072 6.124 1.00 3.20 H new ATOM 475 N ILE A 28 15.411 2.176 3.416 1.00 0.33 N ATOM 476 CA ILE A 28 15.305 3.114 2.310 1.00 0.33 C ATOM 477 C ILE A 28 14.828 4.478 2.818 1.00 0.31 C ATOM 478 O ILE A 28 14.887 4.746 4.018 1.00 0.34 O ATOM 479 CB ILE A 28 14.360 2.535 1.229 1.00 0.36 C ATOM 480 CG1 ILE A 28 14.558 1.016 1.163 1.00 0.44 C ATOM 481 CG2 ILE A 28 14.668 3.131 -0.144 1.00 0.38 C ATOM 482 CD1 ILE A 28 13.758 0.318 0.091 1.00 0.48 C ATOM 0 H ILE A 28 14.543 2.040 3.934 1.00 0.33 H new ATOM 0 HA ILE A 28 16.284 3.262 1.855 1.00 0.33 H new ATOM 0 HB ILE A 28 13.332 2.783 1.495 1.00 0.36 H new ATOM 0 HG12 ILE A 28 15.616 0.809 1.000 1.00 0.44 H new ATOM 0 HG13 ILE A 28 14.295 0.587 2.130 1.00 0.44 H new ATOM 0 HG21 ILE A 28 13.990 2.707 -0.885 1.00 0.38 H new ATOM 0 HG22 ILE A 28 14.537 4.213 -0.109 1.00 0.38 H new ATOM 0 HG23 ILE A 28 15.697 2.899 -0.419 1.00 0.38 H new ATOM 0 HD11 ILE A 28 13.964 -0.752 0.122 1.00 0.48 H new ATOM 0 HD12 ILE A 28 12.695 0.488 0.261 1.00 0.48 H new ATOM 0 HD13 ILE A 28 14.037 0.713 -0.886 1.00 0.48 H new ATOM 494 N ARG A 29 14.352 5.332 1.920 1.00 0.32 N ATOM 495 CA ARG A 29 14.114 6.738 2.245 1.00 0.32 C ATOM 496 C ARG A 29 13.018 7.337 1.367 1.00 0.30 C ATOM 497 O ARG A 29 12.241 6.606 0.756 1.00 0.28 O ATOM 498 CB ARG A 29 15.427 7.541 2.111 1.00 0.40 C ATOM 499 CG ARG A 29 15.806 7.938 0.680 1.00 0.58 C ATOM 500 CD ARG A 29 15.841 6.748 -0.253 1.00 0.64 C ATOM 501 NE ARG A 29 16.863 5.776 0.142 1.00 0.92 N ATOM 502 CZ ARG A 29 17.440 4.908 -0.689 1.00 1.58 C ATOM 503 NH1 ARG A 29 17.190 4.951 -1.990 1.00 2.40 N ATOM 504 NH2 ARG A 29 18.303 4.016 -0.218 1.00 1.98 N ATOM 0 H ARG A 29 14.122 5.078 0.959 1.00 0.32 H new ATOM 0 HA ARG A 29 13.770 6.795 3.278 1.00 0.32 H new ATOM 0 HB2 ARG A 29 15.343 8.446 2.712 1.00 0.40 H new ATOM 0 HB3 ARG A 29 16.240 6.951 2.535 1.00 0.40 H new ATOM 0 HG2 ARG A 29 15.090 8.670 0.306 1.00 0.58 H new ATOM 0 HG3 ARG A 29 16.783 8.422 0.686 1.00 0.58 H new ATOM 0 HD2 ARG A 29 14.864 6.265 -0.262 1.00 0.64 H new ATOM 0 HD3 ARG A 29 16.037 7.089 -1.270 1.00 0.64 H new ATOM 0 HE ARG A 29 17.153 5.762 1.120 1.00 0.92 H new ATOM 0 HH11 ARG A 29 16.551 5.653 -2.364 1.00 2.40 H new ATOM 0 HH12 ARG A 29 17.637 4.282 -2.618 1.00 2.40 H new ATOM 0 HH21 ARG A 29 18.523 3.996 0.778 1.00 1.98 H new ATOM 0 HH22 ARG A 29 18.746 3.351 -0.852 1.00 1.98 H new ATOM 518 N GLU A 30 12.977 8.670 1.297 1.00 0.34 N ATOM 519 CA GLU A 30 11.996 9.398 0.488 1.00 0.36 C ATOM 520 C GLU A 30 12.316 9.303 -0.995 1.00 0.35 C ATOM 521 O GLU A 30 12.113 10.242 -1.768 1.00 0.44 O ATOM 522 CB GLU A 30 11.939 10.856 0.922 1.00 0.45 C ATOM 523 CG GLU A 30 11.199 11.034 2.223 1.00 0.50 C ATOM 524 CD GLU A 30 12.021 10.652 3.440 1.00 0.62 C ATOM 525 OE1 GLU A 30 12.834 11.483 3.900 1.00 1.23 O ATOM 526 OE2 GLU A 30 11.863 9.523 3.951 1.00 1.08 O ATOM 0 H GLU A 30 13.624 9.276 1.801 1.00 0.34 H new ATOM 0 HA GLU A 30 11.021 8.937 0.648 1.00 0.36 H new ATOM 0 HB2 GLU A 30 12.953 11.242 1.027 1.00 0.45 H new ATOM 0 HB3 GLU A 30 11.452 11.446 0.145 1.00 0.45 H new ATOM 0 HG2 GLU A 30 10.887 12.074 2.316 1.00 0.50 H new ATOM 0 HG3 GLU A 30 10.292 10.430 2.202 1.00 0.50 H new ATOM 533 N GLY A 31 12.803 8.139 -1.367 1.00 0.30 N ATOM 534 CA GLY A 31 13.053 7.802 -2.744 1.00 0.30 C ATOM 535 C GLY A 31 12.940 6.310 -2.936 1.00 0.30 C ATOM 536 O GLY A 31 13.539 5.731 -3.841 1.00 0.36 O ATOM 0 H GLY A 31 13.038 7.394 -0.711 1.00 0.30 H new ATOM 0 HA2 GLY A 31 12.339 8.315 -3.388 1.00 0.30 H new ATOM 0 HA3 GLY A 31 14.047 8.141 -3.036 1.00 0.30 H new ATOM 540 N ASP A 32 12.174 5.697 -2.044 1.00 0.28 N ATOM 541 CA ASP A 32 11.866 4.278 -2.112 1.00 0.31 C ATOM 542 C ASP A 32 10.711 4.045 -3.066 1.00 0.28 C ATOM 543 O ASP A 32 9.651 4.659 -2.941 1.00 0.31 O ATOM 544 CB ASP A 32 11.494 3.757 -0.721 1.00 0.38 C ATOM 545 CG ASP A 32 11.021 2.315 -0.725 1.00 0.43 C ATOM 546 OD1 ASP A 32 11.601 1.498 -1.469 1.00 1.07 O ATOM 547 OD2 ASP A 32 10.084 2.002 0.037 1.00 1.26 O ATOM 0 H ASP A 32 11.747 6.174 -1.250 1.00 0.28 H new ATOM 0 HA ASP A 32 12.745 3.744 -2.473 1.00 0.31 H new ATOM 0 HB2 ASP A 32 12.359 3.846 -0.064 1.00 0.38 H new ATOM 0 HB3 ASP A 32 10.710 4.388 -0.302 1.00 0.38 H new ATOM 552 N PRO A 33 10.909 3.196 -4.061 1.00 0.23 N ATOM 553 CA PRO A 33 9.853 2.797 -4.947 1.00 0.26 C ATOM 554 C PRO A 33 9.039 1.680 -4.339 1.00 0.47 C ATOM 555 O PRO A 33 9.530 0.922 -3.519 1.00 1.30 O ATOM 556 CB PRO A 33 10.568 2.298 -6.199 1.00 0.22 C ATOM 557 CG PRO A 33 12.033 2.279 -5.868 1.00 0.14 C ATOM 558 CD PRO A 33 12.165 2.538 -4.388 1.00 0.23 C ATOM 0 HA PRO A 33 9.163 3.615 -5.154 1.00 0.26 H new ATOM 0 HB2 PRO A 33 10.219 1.303 -6.476 1.00 0.22 H new ATOM 0 HB3 PRO A 33 10.369 2.953 -7.047 1.00 0.22 H new ATOM 0 HG2 PRO A 33 12.473 1.317 -6.130 1.00 0.14 H new ATOM 0 HG3 PRO A 33 12.565 3.039 -6.440 1.00 0.14 H new ATOM 0 HD2 PRO A 33 12.295 1.613 -3.826 1.00 0.23 H new ATOM 0 HD3 PRO A 33 13.023 3.171 -4.163 1.00 0.23 H new ATOM 566 N LEU A 34 7.793 1.589 -4.715 1.00 0.29 N ATOM 567 CA LEU A 34 6.996 0.464 -4.324 1.00 0.21 C ATOM 568 C LEU A 34 6.118 0.055 -5.479 1.00 0.22 C ATOM 569 O LEU A 34 5.737 0.873 -6.294 1.00 0.27 O ATOM 570 CB LEU A 34 6.142 0.772 -3.090 1.00 0.23 C ATOM 571 CG LEU A 34 6.814 1.647 -2.035 1.00 0.31 C ATOM 572 CD1 LEU A 34 6.269 3.066 -2.088 1.00 0.38 C ATOM 573 CD2 LEU A 34 6.641 1.042 -0.648 1.00 0.38 C ATOM 0 H LEU A 34 7.310 2.279 -5.290 1.00 0.29 H new ATOM 0 HA LEU A 34 7.664 -0.354 -4.057 1.00 0.21 H new ATOM 0 HB2 LEU A 34 5.225 1.263 -3.416 1.00 0.23 H new ATOM 0 HB3 LEU A 34 5.851 -0.170 -2.625 1.00 0.23 H new ATOM 0 HG LEU A 34 7.881 1.691 -2.251 1.00 0.31 H new ATOM 0 HD11 LEU A 34 6.761 3.673 -1.328 1.00 0.38 H new ATOM 0 HD12 LEU A 34 6.460 3.492 -3.073 1.00 0.38 H new ATOM 0 HD13 LEU A 34 5.195 3.051 -1.901 1.00 0.38 H new ATOM 0 HD21 LEU A 34 7.127 1.680 0.090 1.00 0.38 H new ATOM 0 HD22 LEU A 34 5.579 0.962 -0.416 1.00 0.38 H new ATOM 0 HD23 LEU A 34 7.093 0.051 -0.625 1.00 0.38 H new ATOM 585 N GLU A 35 5.776 -1.201 -5.496 1.00 0.20 N ATOM 586 CA GLU A 35 4.956 -1.753 -6.545 1.00 0.20 C ATOM 587 C GLU A 35 3.600 -1.977 -5.981 1.00 0.16 C ATOM 588 O GLU A 35 3.443 -2.822 -5.116 1.00 0.16 O ATOM 589 CB GLU A 35 5.499 -3.063 -7.114 1.00 0.22 C ATOM 590 CG GLU A 35 4.585 -3.656 -8.183 1.00 0.23 C ATOM 591 CD GLU A 35 5.167 -4.871 -8.872 1.00 0.34 C ATOM 592 OE1 GLU A 35 5.003 -5.988 -8.343 1.00 0.95 O ATOM 593 OE2 GLU A 35 5.760 -4.722 -9.958 1.00 1.12 O ATOM 0 H GLU A 35 6.056 -1.875 -4.784 1.00 0.20 H new ATOM 0 HA GLU A 35 4.943 -1.047 -7.375 1.00 0.20 H new ATOM 0 HB2 GLU A 35 6.487 -2.889 -7.540 1.00 0.22 H new ATOM 0 HB3 GLU A 35 5.623 -3.783 -6.305 1.00 0.22 H new ATOM 0 HG2 GLU A 35 3.634 -3.929 -7.725 1.00 0.23 H new ATOM 0 HG3 GLU A 35 4.371 -2.892 -8.931 1.00 0.23 H new ATOM 600 N ILE A 36 2.649 -1.198 -6.446 1.00 0.14 N ATOM 601 CA ILE A 36 1.288 -1.282 -5.985 1.00 0.11 C ATOM 602 C ILE A 36 0.580 -2.357 -6.776 1.00 0.10 C ATOM 603 O ILE A 36 0.389 -2.221 -7.982 1.00 0.14 O ATOM 604 CB ILE A 36 0.548 0.075 -6.173 1.00 0.12 C ATOM 605 CG1 ILE A 36 1.067 1.144 -5.205 1.00 0.15 C ATOM 606 CG2 ILE A 36 -0.953 -0.085 -6.008 1.00 0.14 C ATOM 607 CD1 ILE A 36 2.458 1.652 -5.514 1.00 0.39 C ATOM 0 H ILE A 36 2.803 -0.485 -7.159 1.00 0.14 H new ATOM 0 HA ILE A 36 1.286 -1.523 -4.922 1.00 0.11 H new ATOM 0 HB ILE A 36 0.754 0.405 -7.191 1.00 0.12 H new ATOM 0 HG12 ILE A 36 0.377 1.987 -5.212 1.00 0.15 H new ATOM 0 HG13 ILE A 36 1.060 0.735 -4.195 1.00 0.15 H new ATOM 0 HG21 ILE A 36 -1.439 0.881 -6.145 1.00 0.14 H new ATOM 0 HG22 ILE A 36 -1.328 -0.789 -6.751 1.00 0.14 H new ATOM 0 HG23 ILE A 36 -1.171 -0.462 -5.009 1.00 0.14 H new ATOM 0 HD11 ILE A 36 2.742 2.404 -4.778 1.00 0.39 H new ATOM 0 HD12 ILE A 36 3.165 0.823 -5.477 1.00 0.39 H new ATOM 0 HD13 ILE A 36 2.471 2.095 -6.510 1.00 0.39 H new ATOM 619 N PHE A 37 0.268 -3.449 -6.118 1.00 0.09 N ATOM 620 CA PHE A 37 -0.493 -4.503 -6.747 1.00 0.10 C ATOM 621 C PHE A 37 -1.312 -5.239 -5.701 1.00 0.09 C ATOM 622 O PHE A 37 -0.784 -5.710 -4.705 1.00 0.09 O ATOM 623 CB PHE A 37 0.433 -5.441 -7.538 1.00 0.12 C ATOM 624 CG PHE A 37 0.939 -6.641 -6.779 1.00 0.16 C ATOM 625 CD1 PHE A 37 2.117 -6.578 -6.055 1.00 1.10 C ATOM 626 CD2 PHE A 37 0.234 -7.836 -6.794 1.00 1.12 C ATOM 627 CE1 PHE A 37 2.578 -7.678 -5.360 1.00 1.15 C ATOM 628 CE2 PHE A 37 0.692 -8.940 -6.101 1.00 1.12 C ATOM 629 CZ PHE A 37 1.865 -8.860 -5.383 1.00 0.35 C ATOM 0 H PHE A 37 0.529 -3.631 -5.149 1.00 0.09 H new ATOM 0 HA PHE A 37 -1.189 -4.072 -7.467 1.00 0.10 H new ATOM 0 HB2 PHE A 37 -0.101 -5.790 -8.422 1.00 0.12 H new ATOM 0 HB3 PHE A 37 1.290 -4.866 -7.889 1.00 0.12 H new ATOM 0 HD1 PHE A 37 2.682 -5.658 -6.034 1.00 1.10 H new ATOM 0 HD2 PHE A 37 -0.686 -7.904 -7.356 1.00 1.12 H new ATOM 0 HE1 PHE A 37 3.498 -7.614 -4.797 1.00 1.15 H new ATOM 0 HE2 PHE A 37 0.132 -9.863 -6.122 1.00 1.12 H new ATOM 0 HZ PHE A 37 2.226 -9.720 -4.839 1.00 0.35 H new ATOM 639 N VAL A 38 -2.605 -5.309 -5.915 1.00 0.09 N ATOM 640 CA VAL A 38 -3.489 -5.958 -4.962 1.00 0.09 C ATOM 641 C VAL A 38 -3.463 -7.464 -5.143 1.00 0.11 C ATOM 642 O VAL A 38 -3.491 -7.971 -6.264 1.00 0.17 O ATOM 643 CB VAL A 38 -4.939 -5.420 -5.077 1.00 0.11 C ATOM 644 CG1 VAL A 38 -5.365 -5.310 -6.536 1.00 0.16 C ATOM 645 CG2 VAL A 38 -5.923 -6.296 -4.304 1.00 0.11 C ATOM 0 H VAL A 38 -3.072 -4.927 -6.737 1.00 0.09 H new ATOM 0 HA VAL A 38 -3.125 -5.724 -3.962 1.00 0.09 H new ATOM 0 HB VAL A 38 -4.952 -4.424 -4.634 1.00 0.11 H new ATOM 0 HG11 VAL A 38 -6.385 -4.930 -6.589 1.00 0.16 H new ATOM 0 HG12 VAL A 38 -4.696 -4.627 -7.060 1.00 0.16 H new ATOM 0 HG13 VAL A 38 -5.319 -6.293 -7.004 1.00 0.16 H new ATOM 0 HG21 VAL A 38 -6.929 -5.890 -4.406 1.00 0.11 H new ATOM 0 HG22 VAL A 38 -5.899 -7.310 -4.703 1.00 0.11 H new ATOM 0 HG23 VAL A 38 -5.644 -6.314 -3.250 1.00 0.11 H new ATOM 655 N ASP A 39 -3.400 -8.161 -4.022 1.00 0.09 N ATOM 656 CA ASP A 39 -3.271 -9.606 -4.014 1.00 0.12 C ATOM 657 C ASP A 39 -4.595 -10.265 -4.364 1.00 0.16 C ATOM 658 O ASP A 39 -4.652 -11.182 -5.186 1.00 0.18 O ATOM 659 CB ASP A 39 -2.812 -10.092 -2.632 1.00 0.19 C ATOM 660 CG ASP A 39 -2.262 -11.503 -2.659 1.00 0.23 C ATOM 661 OD1 ASP A 39 -3.046 -12.457 -2.491 1.00 1.04 O ATOM 662 OD2 ASP A 39 -1.039 -11.665 -2.844 1.00 1.11 O ATOM 0 H ASP A 39 -3.437 -7.741 -3.093 1.00 0.09 H new ATOM 0 HA ASP A 39 -2.527 -9.883 -4.761 1.00 0.12 H new ATOM 0 HB2 ASP A 39 -2.047 -9.416 -2.250 1.00 0.19 H new ATOM 0 HB3 ASP A 39 -3.652 -10.048 -1.939 1.00 0.19 H new ATOM 667 N ARG A 40 -5.663 -9.767 -3.756 1.00 0.32 N ATOM 668 CA ARG A 40 -6.928 -10.481 -3.757 1.00 0.43 C ATOM 669 C ARG A 40 -8.091 -9.587 -4.131 1.00 0.43 C ATOM 670 O ARG A 40 -8.641 -9.682 -5.227 1.00 0.49 O ATOM 671 CB ARG A 40 -7.173 -11.053 -2.381 1.00 0.53 C ATOM 672 CG ARG A 40 -5.887 -11.327 -1.659 1.00 0.53 C ATOM 673 CD ARG A 40 -6.130 -11.602 -0.216 1.00 0.72 C ATOM 674 NE ARG A 40 -7.062 -12.705 0.005 1.00 1.09 N ATOM 675 CZ ARG A 40 -8.128 -12.621 0.803 1.00 1.66 C ATOM 676 NH1 ARG A 40 -8.403 -11.490 1.445 1.00 2.22 N ATOM 677 NH2 ARG A 40 -8.933 -13.661 0.958 1.00 2.29 N ATOM 0 H ARG A 40 -5.677 -8.876 -3.259 1.00 0.32 H new ATOM 0 HA ARG A 40 -6.861 -11.272 -4.504 1.00 0.43 H new ATOM 0 HB2 ARG A 40 -7.776 -10.356 -1.799 1.00 0.53 H new ATOM 0 HB3 ARG A 40 -7.746 -11.976 -2.467 1.00 0.53 H new ATOM 0 HG2 ARG A 40 -5.385 -12.180 -2.115 1.00 0.53 H new ATOM 0 HG3 ARG A 40 -5.219 -10.472 -1.762 1.00 0.53 H new ATOM 0 HD2 ARG A 40 -5.181 -11.832 0.269 1.00 0.72 H new ATOM 0 HD3 ARG A 40 -6.521 -10.702 0.259 1.00 0.72 H new ATOM 0 HE ARG A 40 -6.888 -13.587 -0.477 1.00 1.09 H new ATOM 0 HH11 ARG A 40 -7.797 -10.678 1.329 1.00 2.22 H new ATOM 0 HH12 ARG A 40 -9.220 -11.434 2.053 1.00 2.22 H new ATOM 0 HH21 ARG A 40 -8.740 -14.533 0.466 1.00 2.29 H new ATOM 0 HH22 ARG A 40 -9.746 -13.590 1.570 1.00 2.29 H new ATOM 691 N ASP A 41 -8.461 -8.723 -3.201 1.00 0.47 N ATOM 692 CA ASP A 41 -9.642 -7.899 -3.353 1.00 0.52 C ATOM 693 C ASP A 41 -9.329 -6.445 -3.084 1.00 0.43 C ATOM 694 O ASP A 41 -9.390 -5.599 -3.977 1.00 0.50 O ATOM 695 CB ASP A 41 -10.701 -8.364 -2.366 1.00 0.57 C ATOM 696 CG ASP A 41 -12.009 -7.600 -2.510 1.00 0.96 C ATOM 697 OD1 ASP A 41 -12.792 -7.931 -3.424 1.00 1.53 O ATOM 698 OD2 ASP A 41 -12.266 -6.679 -1.703 1.00 1.34 O ATOM 0 H ASP A 41 -7.955 -8.576 -2.328 1.00 0.47 H new ATOM 0 HA ASP A 41 -10.001 -7.995 -4.378 1.00 0.52 H new ATOM 0 HB2 ASP A 41 -10.888 -9.428 -2.513 1.00 0.57 H new ATOM 0 HB3 ASP A 41 -10.324 -8.244 -1.350 1.00 0.57 H new ATOM 703 N GLY A 42 -8.969 -6.176 -1.844 1.00 0.32 N ATOM 704 CA GLY A 42 -8.767 -4.815 -1.405 1.00 0.26 C ATOM 705 C GLY A 42 -7.473 -4.655 -0.662 1.00 0.18 C ATOM 706 O GLY A 42 -7.191 -3.600 -0.103 1.00 0.18 O ATOM 0 H GLY A 42 -8.811 -6.883 -1.126 1.00 0.32 H new ATOM 0 HA2 GLY A 42 -8.775 -4.150 -2.268 1.00 0.26 H new ATOM 0 HA3 GLY A 42 -9.595 -4.514 -0.763 1.00 0.26 H new ATOM 710 N GLU A 43 -6.692 -5.717 -0.647 1.00 0.15 N ATOM 711 CA GLU A 43 -5.375 -5.682 -0.058 1.00 0.12 C ATOM 712 C GLU A 43 -4.344 -5.369 -1.119 1.00 0.08 C ATOM 713 O GLU A 43 -4.029 -6.207 -1.964 1.00 0.09 O ATOM 714 CB GLU A 43 -5.028 -7.000 0.626 1.00 0.14 C ATOM 715 CG GLU A 43 -5.655 -8.219 -0.024 1.00 0.53 C ATOM 716 CD GLU A 43 -7.055 -8.492 0.465 1.00 1.00 C ATOM 717 OE1 GLU A 43 -7.205 -9.032 1.579 1.00 1.30 O ATOM 718 OE2 GLU A 43 -8.004 -8.186 -0.286 1.00 1.97 O ATOM 0 H GLU A 43 -6.953 -6.621 -1.041 1.00 0.15 H new ATOM 0 HA GLU A 43 -5.371 -4.900 0.701 1.00 0.12 H new ATOM 0 HB2 GLU A 43 -3.945 -7.121 0.630 1.00 0.14 H new ATOM 0 HB3 GLU A 43 -5.347 -6.952 1.667 1.00 0.14 H new ATOM 0 HG2 GLU A 43 -5.674 -8.078 -1.105 1.00 0.53 H new ATOM 0 HG3 GLU A 43 -5.031 -9.091 0.173 1.00 0.53 H new ATOM 725 N VAL A 44 -3.849 -4.153 -1.087 1.00 0.07 N ATOM 726 CA VAL A 44 -2.839 -3.718 -2.023 1.00 0.07 C ATOM 727 C VAL A 44 -1.463 -4.027 -1.475 1.00 0.07 C ATOM 728 O VAL A 44 -1.163 -3.732 -0.328 1.00 0.08 O ATOM 729 CB VAL A 44 -2.917 -2.214 -2.299 1.00 0.09 C ATOM 730 CG1 VAL A 44 -2.312 -1.908 -3.653 1.00 0.14 C ATOM 731 CG2 VAL A 44 -4.351 -1.712 -2.208 1.00 0.12 C ATOM 0 H VAL A 44 -4.134 -3.441 -0.415 1.00 0.07 H new ATOM 0 HA VAL A 44 -3.018 -4.254 -2.955 1.00 0.07 H new ATOM 0 HB VAL A 44 -2.343 -1.688 -1.536 1.00 0.09 H new ATOM 0 HG11 VAL A 44 -2.370 -0.836 -3.844 1.00 0.14 H new ATOM 0 HG12 VAL A 44 -1.268 -2.222 -3.665 1.00 0.14 H new ATOM 0 HG13 VAL A 44 -2.861 -2.445 -4.427 1.00 0.14 H new ATOM 0 HG21 VAL A 44 -4.375 -0.641 -2.409 1.00 0.12 H new ATOM 0 HG22 VAL A 44 -4.966 -2.233 -2.942 1.00 0.12 H new ATOM 0 HG23 VAL A 44 -4.740 -1.903 -1.208 1.00 0.12 H new ATOM 741 N ILE A 45 -0.637 -4.610 -2.300 1.00 0.08 N ATOM 742 CA ILE A 45 0.690 -5.014 -1.897 1.00 0.08 C ATOM 743 C ILE A 45 1.690 -4.115 -2.591 1.00 0.11 C ATOM 744 O ILE A 45 1.750 -4.100 -3.814 1.00 0.14 O ATOM 745 CB ILE A 45 0.982 -6.479 -2.274 1.00 0.09 C ATOM 746 CG1 ILE A 45 0.174 -7.458 -1.402 1.00 0.09 C ATOM 747 CG2 ILE A 45 2.475 -6.770 -2.140 1.00 0.11 C ATOM 748 CD1 ILE A 45 -1.323 -7.288 -1.438 1.00 0.08 C ATOM 0 H ILE A 45 -0.861 -4.820 -3.273 1.00 0.08 H new ATOM 0 HA ILE A 45 0.765 -4.929 -0.813 1.00 0.08 H new ATOM 0 HB ILE A 45 0.678 -6.623 -3.311 1.00 0.09 H new ATOM 0 HG12 ILE A 45 0.413 -8.475 -1.714 1.00 0.09 H new ATOM 0 HG13 ILE A 45 0.507 -7.355 -0.369 1.00 0.09 H new ATOM 0 HG21 ILE A 45 2.669 -7.808 -2.409 1.00 0.11 H new ATOM 0 HG22 ILE A 45 3.035 -6.112 -2.805 1.00 0.11 H new ATOM 0 HG23 ILE A 45 2.788 -6.597 -1.110 1.00 0.11 H new ATOM 0 HD11 ILE A 45 -1.789 -8.029 -0.788 1.00 0.08 H new ATOM 0 HD12 ILE A 45 -1.584 -6.287 -1.093 1.00 0.08 H new ATOM 0 HD13 ILE A 45 -1.680 -7.425 -2.459 1.00 0.08 H new ATOM 760 N LEU A 46 2.423 -3.343 -1.813 1.00 0.11 N ATOM 761 CA LEU A 46 3.411 -2.407 -2.337 1.00 0.13 C ATOM 762 C LEU A 46 4.805 -2.905 -2.012 1.00 0.11 C ATOM 763 O LEU A 46 5.156 -2.996 -0.846 1.00 0.17 O ATOM 764 CB LEU A 46 3.216 -1.040 -1.682 1.00 0.20 C ATOM 765 CG LEU A 46 1.811 -0.792 -1.161 1.00 0.14 C ATOM 766 CD1 LEU A 46 1.827 0.347 -0.164 1.00 0.19 C ATOM 767 CD2 LEU A 46 0.860 -0.492 -2.306 1.00 0.23 C ATOM 0 H LEU A 46 2.353 -3.344 -0.795 1.00 0.11 H new ATOM 0 HA LEU A 46 3.287 -2.325 -3.417 1.00 0.13 H new ATOM 0 HB2 LEU A 46 3.920 -0.942 -0.856 1.00 0.20 H new ATOM 0 HB3 LEU A 46 3.465 -0.264 -2.406 1.00 0.20 H new ATOM 0 HG LEU A 46 1.457 -1.692 -0.659 1.00 0.14 H new ATOM 0 HD11 LEU A 46 0.817 0.521 0.206 1.00 0.19 H new ATOM 0 HD12 LEU A 46 2.480 0.091 0.670 1.00 0.19 H new ATOM 0 HD13 LEU A 46 2.196 1.251 -0.650 1.00 0.19 H new ATOM 0 HD21 LEU A 46 -0.141 -0.317 -1.911 1.00 0.23 H new ATOM 0 HD22 LEU A 46 1.200 0.396 -2.838 1.00 0.23 H new ATOM 0 HD23 LEU A 46 0.837 -1.339 -2.991 1.00 0.23 H new ATOM 779 N LYS A 47 5.610 -3.218 -3.015 1.00 0.15 N ATOM 780 CA LYS A 47 6.966 -3.682 -2.720 1.00 0.27 C ATOM 781 C LYS A 47 8.031 -2.815 -3.391 1.00 0.16 C ATOM 782 O LYS A 47 7.816 -2.291 -4.466 1.00 0.15 O ATOM 783 CB LYS A 47 7.138 -5.164 -3.082 1.00 0.63 C ATOM 784 CG LYS A 47 7.886 -5.436 -4.381 1.00 0.29 C ATOM 785 CD LYS A 47 6.946 -5.716 -5.541 1.00 0.55 C ATOM 786 CE LYS A 47 5.939 -6.796 -5.187 1.00 0.69 C ATOM 787 NZ LYS A 47 5.476 -7.545 -6.387 1.00 0.76 N ATOM 0 H LYS A 47 5.367 -3.165 -4.004 1.00 0.15 H new ATOM 0 HA LYS A 47 7.111 -3.583 -1.644 1.00 0.27 H new ATOM 0 HB2 LYS A 47 7.666 -5.661 -2.268 1.00 0.63 H new ATOM 0 HB3 LYS A 47 6.151 -5.621 -3.148 1.00 0.63 H new ATOM 0 HG2 LYS A 47 8.512 -4.578 -4.623 1.00 0.29 H new ATOM 0 HG3 LYS A 47 8.552 -6.288 -4.242 1.00 0.29 H new ATOM 0 HD2 LYS A 47 6.420 -4.801 -5.815 1.00 0.55 H new ATOM 0 HD3 LYS A 47 7.523 -6.025 -6.413 1.00 0.55 H new ATOM 0 HE2 LYS A 47 6.388 -7.491 -4.477 1.00 0.69 H new ATOM 0 HE3 LYS A 47 5.081 -6.343 -4.690 1.00 0.69 H new ATOM 0 HZ1 LYS A 47 4.491 -7.847 -6.249 1.00 0.76 H new ATOM 0 HZ2 LYS A 47 5.535 -6.931 -7.224 1.00 0.76 H new ATOM 0 HZ3 LYS A 47 6.078 -8.381 -6.528 1.00 0.76 H new ATOM 801 N LYS A 48 9.193 -2.742 -2.744 1.00 0.19 N ATOM 802 CA LYS A 48 10.284 -1.784 -3.050 1.00 0.15 C ATOM 803 C LYS A 48 10.652 -1.590 -4.530 1.00 0.14 C ATOM 804 O LYS A 48 11.375 -0.651 -4.858 1.00 0.17 O ATOM 805 CB LYS A 48 11.530 -2.215 -2.307 1.00 0.17 C ATOM 806 CG LYS A 48 11.619 -3.722 -2.147 1.00 0.19 C ATOM 807 CD LYS A 48 12.075 -4.112 -0.750 1.00 0.20 C ATOM 808 CE LYS A 48 13.511 -3.685 -0.473 1.00 0.21 C ATOM 809 NZ LYS A 48 13.923 -4.007 0.924 1.00 0.32 N ATOM 0 H LYS A 48 9.420 -3.362 -1.966 1.00 0.19 H new ATOM 0 HA LYS A 48 9.891 -0.819 -2.731 1.00 0.15 H new ATOM 0 HB2 LYS A 48 12.410 -1.857 -2.841 1.00 0.17 H new ATOM 0 HB3 LYS A 48 11.542 -1.747 -1.323 1.00 0.17 H new ATOM 0 HG2 LYS A 48 10.645 -4.168 -2.350 1.00 0.19 H new ATOM 0 HG3 LYS A 48 12.314 -4.126 -2.883 1.00 0.19 H new ATOM 0 HD2 LYS A 48 11.414 -3.656 -0.013 1.00 0.20 H new ATOM 0 HD3 LYS A 48 11.989 -5.192 -0.630 1.00 0.20 H new ATOM 0 HE2 LYS A 48 14.180 -4.184 -1.174 1.00 0.21 H new ATOM 0 HE3 LYS A 48 13.611 -2.613 -0.644 1.00 0.21 H new ATOM 0 HZ1 LYS A 48 13.875 -3.147 1.507 1.00 0.32 H new ATOM 0 HZ2 LYS A 48 13.284 -4.727 1.317 1.00 0.32 H new ATOM 0 HZ3 LYS A 48 14.897 -4.371 0.923 1.00 0.32 H new ATOM 823 N TYR A 49 10.234 -2.496 -5.397 1.00 0.14 N ATOM 824 CA TYR A 49 10.417 -2.357 -6.846 1.00 0.16 C ATOM 825 C TYR A 49 11.862 -2.605 -7.285 1.00 0.17 C ATOM 826 O TYR A 49 12.099 -3.348 -8.231 1.00 0.24 O ATOM 827 CB TYR A 49 10.005 -0.977 -7.357 1.00 0.19 C ATOM 828 CG TYR A 49 10.283 -0.807 -8.840 1.00 0.24 C ATOM 829 CD1 TYR A 49 9.898 -1.786 -9.752 1.00 1.03 C ATOM 830 CD2 TYR A 49 10.943 0.313 -9.327 1.00 1.22 C ATOM 831 CE1 TYR A 49 10.158 -1.651 -11.101 1.00 1.01 C ATOM 832 CE2 TYR A 49 11.210 0.454 -10.676 1.00 1.28 C ATOM 833 CZ TYR A 49 10.813 -0.530 -11.557 1.00 0.40 C ATOM 834 OH TYR A 49 11.080 -0.396 -12.902 1.00 0.49 O ATOM 0 H TYR A 49 9.756 -3.354 -5.123 1.00 0.14 H new ATOM 0 HA TYR A 49 9.769 -3.119 -7.278 1.00 0.16 H new ATOM 0 HB2 TYR A 49 8.942 -0.824 -7.169 1.00 0.19 H new ATOM 0 HB3 TYR A 49 10.541 -0.210 -6.798 1.00 0.19 H new ATOM 0 HD1 TYR A 49 9.386 -2.668 -9.397 1.00 1.03 H new ATOM 0 HD2 TYR A 49 11.253 1.087 -8.641 1.00 1.22 H new ATOM 0 HE1 TYR A 49 9.849 -2.420 -11.794 1.00 1.01 H new ATOM 0 HE2 TYR A 49 11.727 1.330 -11.038 1.00 1.28 H new ATOM 0 HH TYR A 49 11.547 0.451 -13.060 1.00 0.49 H new ATOM 844 N SER A 50 12.808 -1.940 -6.625 1.00 0.19 N ATOM 845 CA SER A 50 14.225 -2.035 -6.972 1.00 0.25 C ATOM 846 C SER A 50 14.664 -3.499 -7.142 1.00 0.28 C ATOM 847 O SER A 50 15.256 -3.851 -8.163 1.00 0.34 O ATOM 848 CB SER A 50 15.081 -1.317 -5.919 1.00 0.37 C ATOM 849 OG SER A 50 16.445 -1.261 -6.303 1.00 1.36 O ATOM 0 H SER A 50 12.615 -1.322 -5.837 1.00 0.19 H new ATOM 0 HA SER A 50 14.374 -1.540 -7.932 1.00 0.25 H new ATOM 0 HB2 SER A 50 14.703 -0.306 -5.770 1.00 0.37 H new ATOM 0 HB3 SER A 50 14.993 -1.834 -4.964 1.00 0.37 H new ATOM 0 HG SER A 50 16.961 -0.796 -5.611 1.00 1.36 H new ATOM 855 N PRO A 51 14.368 -4.380 -6.161 1.00 0.32 N ATOM 856 CA PRO A 51 14.593 -5.809 -6.298 1.00 0.42 C ATOM 857 C PRO A 51 13.334 -6.530 -6.761 1.00 0.45 C ATOM 858 O PRO A 51 13.266 -7.761 -6.759 1.00 0.58 O ATOM 859 CB PRO A 51 14.911 -6.242 -4.878 1.00 0.52 C ATOM 860 CG PRO A 51 14.315 -5.200 -3.974 1.00 0.46 C ATOM 861 CD PRO A 51 13.808 -4.079 -4.838 1.00 0.36 C ATOM 0 HA PRO A 51 15.370 -6.035 -7.028 1.00 0.42 H new ATOM 0 HB2 PRO A 51 14.490 -7.225 -4.668 1.00 0.52 H new ATOM 0 HB3 PRO A 51 15.988 -6.318 -4.727 1.00 0.52 H new ATOM 0 HG2 PRO A 51 13.503 -5.625 -3.384 1.00 0.46 H new ATOM 0 HG3 PRO A 51 15.062 -4.832 -3.270 1.00 0.46 H new ATOM 0 HD2 PRO A 51 12.719 -4.052 -4.861 1.00 0.36 H new ATOM 0 HD3 PRO A 51 14.143 -3.108 -4.472 1.00 0.36 H new ATOM 869 N ILE A 52 12.345 -5.736 -7.159 1.00 0.37 N ATOM 870 CA ILE A 52 11.002 -6.219 -7.444 1.00 0.46 C ATOM 871 C ILE A 52 10.530 -7.093 -6.296 1.00 0.61 C ATOM 872 O ILE A 52 10.794 -6.795 -5.129 1.00 0.61 O ATOM 873 CB ILE A 52 10.934 -7.004 -8.770 1.00 0.62 C ATOM 874 CG1 ILE A 52 12.038 -6.523 -9.704 1.00 0.51 C ATOM 875 CG2 ILE A 52 9.564 -6.820 -9.425 1.00 0.78 C ATOM 876 CD1 ILE A 52 12.032 -7.192 -11.062 1.00 0.69 C ATOM 0 H ILE A 52 12.456 -4.731 -7.293 1.00 0.37 H new ATOM 0 HA ILE A 52 10.349 -5.353 -7.550 1.00 0.46 H new ATOM 0 HB ILE A 52 11.077 -8.065 -8.566 1.00 0.62 H new ATOM 0 HG12 ILE A 52 11.940 -5.446 -9.841 1.00 0.51 H new ATOM 0 HG13 ILE A 52 13.003 -6.698 -9.229 1.00 0.51 H new ATOM 0 HG21 ILE A 52 9.530 -7.379 -10.360 1.00 0.78 H new ATOM 0 HG22 ILE A 52 8.788 -7.187 -8.754 1.00 0.78 H new ATOM 0 HG23 ILE A 52 9.397 -5.762 -9.629 1.00 0.78 H new ATOM 0 HD11 ILE A 52 12.847 -6.795 -11.667 1.00 0.69 H new ATOM 0 HD12 ILE A 52 12.162 -8.267 -10.939 1.00 0.69 H new ATOM 0 HD13 ILE A 52 11.082 -6.996 -11.560 1.00 0.69 H new ATOM 976 N ALA B 3 -3.421 -8.222 -9.084 1.00 0.51 N ATOM 977 CA ALA B 3 -2.051 -7.780 -9.342 1.00 0.33 C ATOM 978 C ALA B 3 -2.020 -6.777 -10.485 1.00 0.42 C ATOM 979 O ALA B 3 -2.376 -7.090 -11.621 1.00 0.86 O ATOM 980 CB ALA B 3 -1.104 -8.943 -9.617 1.00 0.48 C ATOM 0 HA ALA B 3 -1.696 -7.293 -8.434 1.00 0.33 H new ATOM 0 HB1 ALA B 3 -0.101 -8.559 -9.802 1.00 0.48 H new ATOM 0 HB2 ALA B 3 -1.085 -9.608 -8.754 1.00 0.48 H new ATOM 0 HB3 ALA B 3 -1.449 -9.494 -10.492 1.00 0.48 H new ATOM 986 N THR B 4 -1.608 -5.564 -10.169 1.00 0.24 N ATOM 987 CA THR B 4 -1.589 -4.491 -11.140 1.00 0.26 C ATOM 988 C THR B 4 -0.160 -4.151 -11.554 1.00 0.30 C ATOM 989 O THR B 4 0.168 -4.134 -12.742 1.00 0.43 O ATOM 990 CB THR B 4 -2.294 -3.249 -10.580 1.00 0.26 C ATOM 991 OG1 THR B 4 -1.760 -2.941 -9.291 1.00 0.27 O ATOM 992 CG2 THR B 4 -3.792 -3.479 -10.456 1.00 0.26 C ATOM 0 H THR B 4 -1.280 -5.298 -9.240 1.00 0.24 H new ATOM 0 HA THR B 4 -2.126 -4.828 -12.026 1.00 0.26 H new ATOM 0 HB THR B 4 -2.125 -2.420 -11.268 1.00 0.26 H new ATOM 0 HG1 THR B 4 -0.882 -2.518 -9.393 1.00 0.27 H new ATOM 0 HG21 THR B 4 -4.266 -2.582 -10.057 1.00 0.26 H new ATOM 0 HG22 THR B 4 -4.208 -3.703 -11.438 1.00 0.26 H new ATOM 0 HG23 THR B 4 -3.977 -4.317 -9.784 1.00 0.26 H new ATOM 1000 N GLY B 5 0.687 -3.902 -10.571 1.00 0.23 N ATOM 1001 CA GLY B 5 2.083 -3.628 -10.841 1.00 0.25 C ATOM 1002 C GLY B 5 2.333 -2.187 -11.232 1.00 0.26 C ATOM 1003 O GLY B 5 2.955 -1.909 -12.258 1.00 0.33 O ATOM 0 H GLY B 5 0.432 -3.884 -9.584 1.00 0.23 H new ATOM 0 HA2 GLY B 5 2.673 -3.867 -9.956 1.00 0.25 H new ATOM 0 HA3 GLY B 5 2.429 -4.282 -11.641 1.00 0.25 H new ATOM 1007 N ILE B 6 1.831 -1.268 -10.430 1.00 0.21 N ATOM 1008 CA ILE B 6 2.123 0.143 -10.617 1.00 0.22 C ATOM 1009 C ILE B 6 3.087 0.606 -9.533 1.00 0.19 C ATOM 1010 O ILE B 6 2.728 0.692 -8.366 1.00 0.16 O ATOM 1011 CB ILE B 6 0.833 1.012 -10.619 1.00 0.23 C ATOM 1012 CG1 ILE B 6 1.150 2.490 -10.351 1.00 0.26 C ATOM 1013 CG2 ILE B 6 -0.173 0.497 -9.604 1.00 0.21 C ATOM 1014 CD1 ILE B 6 1.991 3.156 -11.419 1.00 0.30 C ATOM 0 H ILE B 6 1.218 -1.472 -9.641 1.00 0.21 H new ATOM 0 HA ILE B 6 2.586 0.269 -11.596 1.00 0.22 H new ATOM 0 HB ILE B 6 0.393 0.935 -11.613 1.00 0.23 H new ATOM 0 HG12 ILE B 6 0.213 3.037 -10.251 1.00 0.26 H new ATOM 0 HG13 ILE B 6 1.669 2.570 -9.396 1.00 0.26 H new ATOM 0 HG21 ILE B 6 -1.065 1.123 -9.626 1.00 0.21 H new ATOM 0 HG22 ILE B 6 -0.444 -0.530 -9.849 1.00 0.21 H new ATOM 0 HG23 ILE B 6 0.267 0.528 -8.607 1.00 0.21 H new ATOM 0 HD11 ILE B 6 2.166 4.197 -11.148 1.00 0.30 H new ATOM 0 HD12 ILE B 6 2.946 2.638 -11.505 1.00 0.30 H new ATOM 0 HD13 ILE B 6 1.467 3.113 -12.374 1.00 0.30 H new ATOM 1026 N VAL B 7 4.325 0.858 -9.921 1.00 0.24 N ATOM 1027 CA VAL B 7 5.331 1.312 -8.980 1.00 0.22 C ATOM 1028 C VAL B 7 5.202 2.810 -8.713 1.00 0.24 C ATOM 1029 O VAL B 7 5.011 3.603 -9.639 1.00 0.27 O ATOM 1030 CB VAL B 7 6.758 0.971 -9.457 1.00 0.23 C ATOM 1031 CG1 VAL B 7 7.796 1.792 -8.697 1.00 0.24 C ATOM 1032 CG2 VAL B 7 7.011 -0.517 -9.273 1.00 0.23 C ATOM 0 H VAL B 7 4.656 0.756 -10.880 1.00 0.24 H new ATOM 0 HA VAL B 7 5.156 0.779 -8.046 1.00 0.22 H new ATOM 0 HB VAL B 7 6.847 1.221 -10.514 1.00 0.23 H new ATOM 0 HG11 VAL B 7 8.794 1.534 -9.051 1.00 0.24 H new ATOM 0 HG12 VAL B 7 7.615 2.854 -8.865 1.00 0.24 H new ATOM 0 HG13 VAL B 7 7.722 1.576 -7.631 1.00 0.24 H new ATOM 0 HG21 VAL B 7 8.019 -0.759 -9.610 1.00 0.23 H new ATOM 0 HG22 VAL B 7 6.908 -0.776 -8.219 1.00 0.23 H new ATOM 0 HG23 VAL B 7 6.287 -1.084 -9.858 1.00 0.23 H new ATOM 1042 N ARG B 8 5.312 3.192 -7.444 1.00 0.23 N ATOM 1043 CA ARG B 8 5.248 4.575 -7.025 1.00 0.25 C ATOM 1044 C ARG B 8 6.421 4.827 -6.087 1.00 0.23 C ATOM 1045 O ARG B 8 6.619 4.081 -5.133 1.00 0.26 O ATOM 1046 CB ARG B 8 3.906 4.855 -6.309 1.00 0.29 C ATOM 1047 CG ARG B 8 3.993 5.735 -5.049 1.00 0.27 C ATOM 1048 CD ARG B 8 4.516 7.130 -5.339 1.00 0.24 C ATOM 1049 NE ARG B 8 3.642 7.904 -6.218 1.00 0.99 N ATOM 1050 CZ ARG B 8 3.635 9.239 -6.269 1.00 0.92 C ATOM 1051 NH1 ARG B 8 4.393 9.945 -5.434 1.00 0.53 N ATOM 1052 NH2 ARG B 8 2.852 9.865 -7.143 1.00 1.69 N ATOM 0 H ARG B 8 5.449 2.537 -6.674 1.00 0.23 H new ATOM 0 HA ARG B 8 5.306 5.240 -7.886 1.00 0.25 H new ATOM 0 HB2 ARG B 8 3.230 5.333 -7.018 1.00 0.29 H new ATOM 0 HB3 ARG B 8 3.456 3.901 -6.033 1.00 0.29 H new ATOM 0 HG2 ARG B 8 3.005 5.810 -4.595 1.00 0.27 H new ATOM 0 HG3 ARG B 8 4.643 5.253 -4.319 1.00 0.27 H new ATOM 0 HD2 ARG B 8 4.641 7.666 -4.398 1.00 0.24 H new ATOM 0 HD3 ARG B 8 5.503 7.053 -5.796 1.00 0.24 H new ATOM 0 HE ARG B 8 3.001 7.396 -6.827 1.00 0.99 H new ATOM 0 HH11 ARG B 8 4.982 9.467 -4.752 1.00 0.53 H new ATOM 0 HH12 ARG B 8 4.385 10.964 -5.476 1.00 0.53 H new ATOM 0 HH21 ARG B 8 2.258 9.326 -7.773 1.00 1.69 H new ATOM 0 HH22 ARG B 8 2.845 10.884 -7.183 1.00 1.69 H new ATOM 1066 N ARG B 9 7.212 5.844 -6.372 1.00 0.20 N ATOM 1067 CA ARG B 9 8.276 6.243 -5.466 1.00 0.19 C ATOM 1068 C ARG B 9 7.702 7.199 -4.436 1.00 0.20 C ATOM 1069 O ARG B 9 7.470 8.361 -4.758 1.00 0.21 O ATOM 1070 CB ARG B 9 9.391 6.925 -6.241 1.00 0.18 C ATOM 1071 CG ARG B 9 10.755 6.841 -5.592 1.00 0.24 C ATOM 1072 CD ARG B 9 11.677 5.944 -6.402 1.00 0.62 C ATOM 1073 NE ARG B 9 11.522 6.163 -7.843 1.00 1.35 N ATOM 1074 CZ ARG B 9 12.164 5.465 -8.782 1.00 1.74 C ATOM 1075 NH1 ARG B 9 13.113 4.603 -8.449 1.00 1.51 N ATOM 1076 NH2 ARG B 9 11.877 5.658 -10.062 1.00 2.71 N ATOM 0 H ARG B 9 7.140 6.408 -7.219 1.00 0.20 H new ATOM 0 HA ARG B 9 8.687 5.364 -4.969 1.00 0.19 H new ATOM 0 HB2 ARG B 9 9.449 6.481 -7.235 1.00 0.18 H new ATOM 0 HB3 ARG B 9 9.132 7.975 -6.376 1.00 0.18 H new ATOM 0 HG2 ARG B 9 11.187 7.838 -5.511 1.00 0.24 H new ATOM 0 HG3 ARG B 9 10.658 6.452 -4.578 1.00 0.24 H new ATOM 0 HD2 ARG B 9 12.712 6.132 -6.115 1.00 0.62 H new ATOM 0 HD3 ARG B 9 11.466 4.900 -6.168 1.00 0.62 H new ATOM 0 HE ARG B 9 10.882 6.896 -8.148 1.00 1.35 H new ATOM 0 HH11 ARG B 9 13.358 4.468 -7.468 1.00 1.51 H new ATOM 0 HH12 ARG B 9 13.598 4.074 -9.173 1.00 1.51 H new ATOM 0 HH21 ARG B 9 11.166 6.339 -10.328 1.00 2.71 H new ATOM 0 HH22 ARG B 9 12.367 5.125 -10.781 1.00 2.71 H new ATOM 1090 N ILE B 10 7.477 6.669 -3.222 1.00 0.22 N ATOM 1091 CA ILE B 10 6.880 7.393 -2.072 1.00 0.25 C ATOM 1092 C ILE B 10 6.739 8.909 -2.270 1.00 0.30 C ATOM 1093 O ILE B 10 5.869 9.347 -3.035 1.00 0.34 O ATOM 1094 CB ILE B 10 7.664 7.086 -0.758 1.00 0.23 C ATOM 1095 CG1 ILE B 10 9.174 6.867 -1.018 1.00 0.22 C ATOM 1096 CG2 ILE B 10 7.065 5.860 -0.100 1.00 0.21 C ATOM 1097 CD1 ILE B 10 9.800 7.872 -1.953 1.00 0.23 C ATOM 0 H ILE B 10 7.709 5.701 -3.001 1.00 0.22 H new ATOM 0 HA ILE B 10 5.861 7.013 -1.995 1.00 0.25 H new ATOM 0 HB ILE B 10 7.575 7.950 -0.099 1.00 0.23 H new ATOM 0 HG12 ILE B 10 9.702 6.898 -0.065 1.00 0.22 H new ATOM 0 HG13 ILE B 10 9.318 5.868 -1.430 1.00 0.22 H new ATOM 0 HG21 ILE B 10 7.607 5.639 0.819 1.00 0.21 H new ATOM 0 HG22 ILE B 10 6.017 6.048 0.133 1.00 0.21 H new ATOM 0 HG23 ILE B 10 7.139 5.010 -0.778 1.00 0.21 H new ATOM 0 HD11 ILE B 10 10.858 7.643 -2.078 1.00 0.23 H new ATOM 0 HD12 ILE B 10 9.302 7.827 -2.922 1.00 0.23 H new ATOM 0 HD13 ILE B 10 9.693 8.873 -1.536 1.00 0.23 H new ATOM 1109 N ASP B 11 7.581 9.685 -1.579 1.00 0.32 N ATOM 1110 CA ASP B 11 7.617 11.136 -1.692 1.00 0.39 C ATOM 1111 C ASP B 11 8.373 11.689 -0.498 1.00 0.40 C ATOM 1112 O ASP B 11 9.016 10.929 0.214 1.00 0.42 O ATOM 1113 CB ASP B 11 6.204 11.749 -1.759 1.00 0.43 C ATOM 1114 CG ASP B 11 5.519 11.883 -0.411 1.00 0.33 C ATOM 1115 OD1 ASP B 11 4.974 10.889 0.110 1.00 1.18 O ATOM 1116 OD2 ASP B 11 5.509 13.003 0.132 1.00 1.08 O ATOM 0 H ASP B 11 8.263 9.312 -0.919 1.00 0.32 H new ATOM 0 HA ASP B 11 8.119 11.402 -2.622 1.00 0.39 H new ATOM 0 HB2 ASP B 11 6.269 12.734 -2.220 1.00 0.43 H new ATOM 0 HB3 ASP B 11 5.583 11.133 -2.410 1.00 0.43 H new ATOM 1121 N ASP B 12 8.277 12.993 -0.272 1.00 0.44 N ATOM 1122 CA ASP B 12 8.974 13.648 0.833 1.00 0.47 C ATOM 1123 C ASP B 12 8.423 13.175 2.179 1.00 0.43 C ATOM 1124 O ASP B 12 9.071 13.305 3.218 1.00 0.63 O ATOM 1125 CB ASP B 12 8.821 15.168 0.705 1.00 0.58 C ATOM 1126 CG ASP B 12 9.581 15.940 1.769 1.00 1.42 C ATOM 1127 OD1 ASP B 12 10.791 16.196 1.573 1.00 1.78 O ATOM 1128 OD2 ASP B 12 8.967 16.319 2.791 1.00 2.39 O ATOM 0 H ASP B 12 7.718 13.625 -0.845 1.00 0.44 H new ATOM 0 HA ASP B 12 10.031 13.384 0.787 1.00 0.47 H new ATOM 0 HB2 ASP B 12 9.170 15.480 -0.279 1.00 0.58 H new ATOM 0 HB3 ASP B 12 7.764 15.426 0.764 1.00 0.58 H new ATOM 1133 N LEU B 13 7.219 12.628 2.146 1.00 0.34 N ATOM 1134 CA LEU B 13 6.552 12.149 3.340 1.00 0.28 C ATOM 1135 C LEU B 13 6.655 10.623 3.446 1.00 0.23 C ATOM 1136 O LEU B 13 7.237 10.101 4.396 1.00 0.25 O ATOM 1137 CB LEU B 13 5.090 12.614 3.318 1.00 0.27 C ATOM 1138 CG LEU B 13 4.287 12.387 4.600 1.00 0.29 C ATOM 1139 CD1 LEU B 13 3.735 10.974 4.643 1.00 0.32 C ATOM 1140 CD2 LEU B 13 5.148 12.675 5.824 1.00 0.40 C ATOM 0 H LEU B 13 6.679 12.505 1.290 1.00 0.34 H new ATOM 0 HA LEU B 13 7.040 12.564 4.222 1.00 0.28 H new ATOM 0 HB2 LEU B 13 5.073 13.679 3.088 1.00 0.27 H new ATOM 0 HB3 LEU B 13 4.581 12.103 2.501 1.00 0.27 H new ATOM 0 HG LEU B 13 3.443 13.077 4.608 1.00 0.29 H new ATOM 0 HD11 LEU B 13 3.167 10.833 5.563 1.00 0.32 H new ATOM 0 HD12 LEU B 13 3.082 10.812 3.785 1.00 0.32 H new ATOM 0 HD13 LEU B 13 4.559 10.261 4.612 1.00 0.32 H new ATOM 0 HD21 LEU B 13 4.562 12.509 6.728 1.00 0.40 H new ATOM 0 HD22 LEU B 13 6.013 12.011 5.825 1.00 0.40 H new ATOM 0 HD23 LEU B 13 5.486 13.711 5.796 1.00 0.40 H new ATOM 1152 N GLY B 14 6.094 9.912 2.471 1.00 0.21 N ATOM 1153 CA GLY B 14 6.119 8.465 2.500 1.00 0.18 C ATOM 1154 C GLY B 14 4.793 7.863 2.081 1.00 0.17 C ATOM 1155 O GLY B 14 4.502 6.704 2.377 1.00 0.20 O ATOM 0 H GLY B 14 5.623 10.316 1.662 1.00 0.21 H new ATOM 0 HA2 GLY B 14 6.906 8.103 1.838 1.00 0.18 H new ATOM 0 HA3 GLY B 14 6.368 8.127 3.506 1.00 0.18 H new ATOM 1159 N ARG B 15 3.981 8.649 1.392 1.00 0.18 N ATOM 1160 CA ARG B 15 2.712 8.167 0.889 1.00 0.20 C ATOM 1161 C ARG B 15 2.926 7.181 -0.235 1.00 0.18 C ATOM 1162 O ARG B 15 3.868 7.299 -1.016 1.00 0.20 O ATOM 1163 CB ARG B 15 1.895 9.309 0.317 1.00 0.29 C ATOM 1164 CG ARG B 15 1.536 10.397 1.294 1.00 0.24 C ATOM 1165 CD ARG B 15 1.382 11.687 0.540 1.00 0.42 C ATOM 1166 NE ARG B 15 2.550 12.557 0.630 1.00 0.52 N ATOM 1167 CZ ARG B 15 2.478 13.886 0.725 1.00 0.51 C ATOM 1168 NH1 ARG B 15 1.309 14.488 0.906 1.00 0.87 N ATOM 1169 NH2 ARG B 15 3.583 14.610 0.657 1.00 0.90 N ATOM 0 H ARG B 15 4.182 9.624 1.170 1.00 0.18 H new ATOM 0 HA ARG B 15 2.194 7.699 1.726 1.00 0.20 H new ATOM 0 HB2 ARG B 15 2.451 9.754 -0.508 1.00 0.29 H new ATOM 0 HB3 ARG B 15 0.975 8.901 -0.102 1.00 0.29 H new ATOM 0 HG2 ARG B 15 0.610 10.149 1.813 1.00 0.24 H new ATOM 0 HG3 ARG B 15 2.311 10.493 2.054 1.00 0.24 H new ATOM 0 HD2 ARG B 15 1.185 11.464 -0.509 1.00 0.42 H new ATOM 0 HD3 ARG B 15 0.511 12.220 0.922 1.00 0.42 H new ATOM 0 HE ARG B 15 3.474 12.125 0.620 1.00 0.52 H new ATOM 0 HH11 ARG B 15 0.455 13.934 0.974 1.00 0.87 H new ATOM 0 HH12 ARG B 15 1.264 15.505 0.977 1.00 0.87 H new ATOM 0 HH21 ARG B 15 4.486 14.152 0.532 1.00 0.90 H new ATOM 0 HH22 ARG B 15 3.532 15.626 0.729 1.00 0.90 H new ATOM 1183 N VAL B 16 2.034 6.227 -0.331 1.00 0.18 N ATOM 1184 CA VAL B 16 1.960 5.405 -1.504 1.00 0.19 C ATOM 1185 C VAL B 16 0.734 5.821 -2.277 1.00 0.17 C ATOM 1186 O VAL B 16 -0.381 5.427 -1.950 1.00 0.20 O ATOM 1187 CB VAL B 16 1.911 3.910 -1.154 1.00 0.27 C ATOM 1188 CG1 VAL B 16 1.831 3.072 -2.413 1.00 1.15 C ATOM 1189 CG2 VAL B 16 3.130 3.525 -0.333 1.00 1.27 C ATOM 0 H VAL B 16 1.350 6.003 0.392 1.00 0.18 H new ATOM 0 HA VAL B 16 2.857 5.545 -2.107 1.00 0.19 H new ATOM 0 HB VAL B 16 1.017 3.720 -0.560 1.00 0.27 H new ATOM 0 HG11 VAL B 16 1.797 2.016 -2.146 1.00 1.15 H new ATOM 0 HG12 VAL B 16 0.931 3.335 -2.968 1.00 1.15 H new ATOM 0 HG13 VAL B 16 2.708 3.261 -3.032 1.00 1.15 H new ATOM 0 HG21 VAL B 16 3.085 2.463 -0.091 1.00 1.27 H new ATOM 0 HG22 VAL B 16 4.034 3.728 -0.907 1.00 1.27 H new ATOM 0 HG23 VAL B 16 3.147 4.107 0.588 1.00 1.27 H new ATOM 1199 N VAL B 17 0.944 6.670 -3.268 1.00 0.18 N ATOM 1200 CA VAL B 17 -0.159 7.286 -3.975 1.00 0.19 C ATOM 1201 C VAL B 17 -0.923 6.245 -4.771 1.00 0.19 C ATOM 1202 O VAL B 17 -0.503 5.838 -5.855 1.00 0.22 O ATOM 1203 CB VAL B 17 0.309 8.423 -4.905 1.00 0.23 C ATOM 1204 CG1 VAL B 17 -0.875 9.042 -5.632 1.00 0.27 C ATOM 1205 CG2 VAL B 17 1.064 9.482 -4.113 1.00 0.25 C ATOM 0 H VAL B 17 1.868 6.947 -3.599 1.00 0.18 H new ATOM 0 HA VAL B 17 -0.817 7.725 -3.225 1.00 0.19 H new ATOM 0 HB VAL B 17 0.985 8.002 -5.649 1.00 0.23 H new ATOM 0 HG11 VAL B 17 -0.524 9.842 -6.283 1.00 0.27 H new ATOM 0 HG12 VAL B 17 -1.374 8.280 -6.230 1.00 0.27 H new ATOM 0 HG13 VAL B 17 -1.577 9.448 -4.904 1.00 0.27 H new ATOM 0 HG21 VAL B 17 1.387 10.277 -4.785 1.00 0.25 H new ATOM 0 HG22 VAL B 17 0.410 9.898 -3.346 1.00 0.25 H new ATOM 0 HG23 VAL B 17 1.936 9.030 -3.640 1.00 0.25 H new ATOM 1215 N ILE B 18 -2.025 5.797 -4.198 1.00 0.19 N ATOM 1216 CA ILE B 18 -2.860 4.800 -4.820 1.00 0.20 C ATOM 1217 C ILE B 18 -3.926 5.458 -5.681 1.00 0.18 C ATOM 1218 O ILE B 18 -4.781 6.195 -5.189 1.00 0.18 O ATOM 1219 CB ILE B 18 -3.506 3.869 -3.764 1.00 0.24 C ATOM 1220 CG1 ILE B 18 -2.486 2.820 -3.310 1.00 0.39 C ATOM 1221 CG2 ILE B 18 -4.763 3.202 -4.312 1.00 0.25 C ATOM 1222 CD1 ILE B 18 -3.070 1.737 -2.429 1.00 0.82 C ATOM 0 H ILE B 18 -2.361 6.117 -3.290 1.00 0.19 H new ATOM 0 HA ILE B 18 -2.228 4.186 -5.461 1.00 0.20 H new ATOM 0 HB ILE B 18 -3.804 4.470 -2.905 1.00 0.24 H new ATOM 0 HG12 ILE B 18 -2.039 2.357 -4.190 1.00 0.39 H new ATOM 0 HG13 ILE B 18 -1.682 3.320 -2.770 1.00 0.39 H new ATOM 0 HG21 ILE B 18 -5.194 2.555 -3.548 1.00 0.25 H new ATOM 0 HG22 ILE B 18 -5.488 3.966 -4.591 1.00 0.25 H new ATOM 0 HG23 ILE B 18 -4.507 2.607 -5.189 1.00 0.25 H new ATOM 0 HD11 ILE B 18 -2.286 1.033 -2.150 1.00 0.82 H new ATOM 0 HD12 ILE B 18 -3.491 2.187 -1.530 1.00 0.82 H new ATOM 0 HD13 ILE B 18 -3.854 1.210 -2.972 1.00 0.82 H new ATOM 1234 N PRO B 19 -3.834 5.246 -6.996 1.00 0.21 N ATOM 1235 CA PRO B 19 -4.842 5.699 -7.947 1.00 0.23 C ATOM 1236 C PRO B 19 -6.255 5.297 -7.538 1.00 0.21 C ATOM 1237 O PRO B 19 -6.479 4.234 -6.948 1.00 0.21 O ATOM 1238 CB PRO B 19 -4.435 4.986 -9.227 1.00 0.28 C ATOM 1239 CG PRO B 19 -2.962 4.883 -9.118 1.00 0.30 C ATOM 1240 CD PRO B 19 -2.708 4.576 -7.673 1.00 0.27 C ATOM 0 HA PRO B 19 -4.876 6.785 -8.029 1.00 0.23 H new ATOM 0 HB2 PRO B 19 -4.901 4.003 -9.303 1.00 0.28 H new ATOM 0 HB3 PRO B 19 -4.733 5.549 -10.111 1.00 0.28 H new ATOM 0 HG2 PRO B 19 -2.571 4.097 -9.764 1.00 0.30 H new ATOM 0 HG3 PRO B 19 -2.477 5.812 -9.417 1.00 0.30 H new ATOM 0 HD2 PRO B 19 -2.702 3.503 -7.482 1.00 0.27 H new ATOM 0 HD3 PRO B 19 -1.746 4.965 -7.340 1.00 0.27 H new ATOM 1248 N LYS B 20 -7.208 6.142 -7.874 1.00 0.23 N ATOM 1249 CA LYS B 20 -8.599 5.911 -7.532 1.00 0.23 C ATOM 1250 C LYS B 20 -9.154 4.680 -8.235 1.00 0.21 C ATOM 1251 O LYS B 20 -10.193 4.180 -7.849 1.00 0.22 O ATOM 1252 CB LYS B 20 -9.467 7.132 -7.854 1.00 0.28 C ATOM 1253 CG LYS B 20 -9.182 7.786 -9.204 1.00 0.39 C ATOM 1254 CD LYS B 20 -7.923 8.642 -9.159 1.00 0.53 C ATOM 1255 CE LYS B 20 -7.651 9.338 -10.482 1.00 0.90 C ATOM 1256 NZ LYS B 20 -7.499 8.376 -11.606 1.00 1.77 N ATOM 0 H LYS B 20 -7.042 7.006 -8.390 1.00 0.23 H new ATOM 0 HA LYS B 20 -8.632 5.736 -6.457 1.00 0.23 H new ATOM 0 HB2 LYS B 20 -10.515 6.832 -7.826 1.00 0.28 H new ATOM 0 HB3 LYS B 20 -9.327 7.876 -7.070 1.00 0.28 H new ATOM 0 HG2 LYS B 20 -9.071 7.015 -9.966 1.00 0.39 H new ATOM 0 HG3 LYS B 20 -10.032 8.403 -9.496 1.00 0.39 H new ATOM 0 HD2 LYS B 20 -8.022 9.389 -8.372 1.00 0.53 H new ATOM 0 HD3 LYS B 20 -7.070 8.016 -8.898 1.00 0.53 H new ATOM 0 HE2 LYS B 20 -8.468 10.025 -10.703 1.00 0.90 H new ATOM 0 HE3 LYS B 20 -6.745 9.937 -10.395 1.00 0.90 H new ATOM 0 HZ1 LYS B 20 -6.950 8.819 -12.370 1.00 1.77 H new ATOM 0 HZ2 LYS B 20 -7.002 7.526 -11.271 1.00 1.77 H new ATOM 0 HZ3 LYS B 20 -8.438 8.109 -11.964 1.00 1.77 H new ATOM 1270 N GLU B 21 -8.458 4.199 -9.258 1.00 0.21 N ATOM 1271 CA GLU B 21 -8.868 2.989 -9.972 1.00 0.20 C ATOM 1272 C GLU B 21 -8.849 1.758 -9.064 1.00 0.20 C ATOM 1273 O GLU B 21 -9.569 0.782 -9.309 1.00 0.20 O ATOM 1274 CB GLU B 21 -7.990 2.738 -11.204 1.00 0.23 C ATOM 1275 CG GLU B 21 -6.672 3.487 -11.194 1.00 0.47 C ATOM 1276 CD GLU B 21 -6.807 4.916 -11.691 1.00 1.08 C ATOM 1277 OE1 GLU B 21 -6.743 5.124 -12.917 1.00 1.53 O ATOM 1278 OE2 GLU B 21 -6.988 5.831 -10.858 1.00 1.92 O ATOM 0 H GLU B 21 -7.604 4.628 -9.615 1.00 0.21 H new ATOM 0 HA GLU B 21 -9.893 3.157 -10.302 1.00 0.20 H new ATOM 0 HB2 GLU B 21 -7.787 1.670 -11.279 1.00 0.23 H new ATOM 0 HB3 GLU B 21 -8.548 3.020 -12.097 1.00 0.23 H new ATOM 0 HG2 GLU B 21 -6.271 3.495 -10.180 1.00 0.47 H new ATOM 0 HG3 GLU B 21 -5.952 2.956 -11.817 1.00 0.47 H new ATOM 1285 N ILE B 22 -8.088 1.819 -7.980 1.00 0.22 N ATOM 1286 CA ILE B 22 -7.990 0.682 -7.089 1.00 0.25 C ATOM 1287 C ILE B 22 -9.114 0.770 -6.070 1.00 0.24 C ATOM 1288 O ILE B 22 -9.854 -0.184 -5.860 1.00 0.24 O ATOM 1289 CB ILE B 22 -6.622 0.604 -6.378 1.00 0.32 C ATOM 1290 CG1 ILE B 22 -5.509 0.425 -7.410 1.00 0.28 C ATOM 1291 CG2 ILE B 22 -6.598 -0.539 -5.373 1.00 0.44 C ATOM 1292 CD1 ILE B 22 -4.937 1.721 -7.934 1.00 0.25 C ATOM 0 H ILE B 22 -7.539 2.633 -7.703 1.00 0.22 H new ATOM 0 HA ILE B 22 -8.081 -0.228 -7.681 1.00 0.25 H new ATOM 0 HB ILE B 22 -6.460 1.536 -5.836 1.00 0.32 H new ATOM 0 HG12 ILE B 22 -4.705 -0.160 -6.963 1.00 0.28 H new ATOM 0 HG13 ILE B 22 -5.896 -0.154 -8.249 1.00 0.28 H new ATOM 0 HG21 ILE B 22 -5.624 -0.574 -4.885 1.00 0.44 H new ATOM 0 HG22 ILE B 22 -7.374 -0.381 -4.624 1.00 0.44 H new ATOM 0 HG23 ILE B 22 -6.779 -1.482 -5.890 1.00 0.44 H new ATOM 0 HD11 ILE B 22 -4.154 1.506 -8.661 1.00 0.25 H new ATOM 0 HD12 ILE B 22 -5.727 2.300 -8.413 1.00 0.25 H new ATOM 0 HD13 ILE B 22 -4.517 2.294 -7.107 1.00 0.25 H new ATOM 1304 N ARG B 23 -9.267 1.961 -5.494 1.00 0.24 N ATOM 1305 CA ARG B 23 -10.374 2.262 -4.588 1.00 0.23 C ATOM 1306 C ARG B 23 -11.691 2.122 -5.341 1.00 0.22 C ATOM 1307 O ARG B 23 -12.734 1.816 -4.767 1.00 0.23 O ATOM 1308 CB ARG B 23 -10.162 3.671 -3.990 1.00 0.26 C ATOM 1309 CG ARG B 23 -11.389 4.574 -3.909 1.00 0.50 C ATOM 1310 CD ARG B 23 -11.717 5.199 -5.255 1.00 0.35 C ATOM 1311 NE ARG B 23 -12.240 6.562 -5.143 1.00 0.85 N ATOM 1312 CZ ARG B 23 -13.055 7.124 -6.037 1.00 0.95 C ATOM 1313 NH1 ARG B 23 -13.512 6.419 -7.066 1.00 1.36 N ATOM 1314 NH2 ARG B 23 -13.412 8.394 -5.896 1.00 1.40 N ATOM 0 H ARG B 23 -8.629 2.743 -5.642 1.00 0.24 H new ATOM 0 HA ARG B 23 -10.408 1.559 -3.756 1.00 0.23 H new ATOM 0 HB2 ARG B 23 -9.757 3.556 -2.984 1.00 0.26 H new ATOM 0 HB3 ARG B 23 -9.403 4.181 -4.583 1.00 0.26 H new ATOM 0 HG2 ARG B 23 -12.244 3.996 -3.558 1.00 0.50 H new ATOM 0 HG3 ARG B 23 -11.214 5.361 -3.175 1.00 0.50 H new ATOM 0 HD2 ARG B 23 -10.819 5.210 -5.872 1.00 0.35 H new ATOM 0 HD3 ARG B 23 -12.449 4.576 -5.769 1.00 0.35 H new ATOM 0 HE ARG B 23 -11.964 7.116 -4.332 1.00 0.85 H new ATOM 0 HH11 ARG B 23 -13.240 5.442 -7.176 1.00 1.36 H new ATOM 0 HH12 ARG B 23 -14.135 6.855 -7.746 1.00 1.36 H new ATOM 0 HH21 ARG B 23 -13.063 8.937 -5.106 1.00 1.40 H new ATOM 0 HH22 ARG B 23 -14.035 8.827 -6.578 1.00 1.40 H new ATOM 1328 N ARG B 24 -11.617 2.354 -6.639 1.00 0.22 N ATOM 1329 CA ARG B 24 -12.741 2.158 -7.529 1.00 0.25 C ATOM 1330 C ARG B 24 -13.119 0.694 -7.611 1.00 0.26 C ATOM 1331 O ARG B 24 -14.284 0.350 -7.424 1.00 0.28 O ATOM 1332 CB ARG B 24 -12.422 2.684 -8.925 1.00 0.29 C ATOM 1333 CG ARG B 24 -13.503 2.384 -9.938 1.00 0.42 C ATOM 1334 CD ARG B 24 -13.207 3.034 -11.278 1.00 0.55 C ATOM 1335 NE ARG B 24 -12.103 2.386 -11.983 1.00 1.47 N ATOM 1336 CZ ARG B 24 -11.388 2.970 -12.945 1.00 2.06 C ATOM 1337 NH1 ARG B 24 -11.598 4.245 -13.256 1.00 1.83 N ATOM 1338 NH2 ARG B 24 -10.447 2.279 -13.577 1.00 3.19 N ATOM 0 H ARG B 24 -10.772 2.685 -7.105 1.00 0.22 H new ATOM 0 HA ARG B 24 -13.585 2.716 -7.123 1.00 0.25 H new ATOM 0 HB2 ARG B 24 -12.271 3.762 -8.874 1.00 0.29 H new ATOM 0 HB3 ARG B 24 -11.483 2.246 -9.265 1.00 0.29 H new ATOM 0 HG2 ARG B 24 -13.592 1.305 -10.068 1.00 0.42 H new ATOM 0 HG3 ARG B 24 -14.463 2.741 -9.564 1.00 0.42 H new ATOM 0 HD2 ARG B 24 -14.101 2.999 -11.900 1.00 0.55 H new ATOM 0 HD3 ARG B 24 -12.967 4.086 -11.123 1.00 0.55 H new ATOM 0 HE ARG B 24 -11.865 1.429 -11.723 1.00 1.47 H new ATOM 0 HH11 ARG B 24 -12.309 4.781 -12.758 1.00 1.83 H new ATOM 0 HH12 ARG B 24 -11.048 4.687 -13.993 1.00 1.83 H new ATOM 0 HH21 ARG B 24 -10.274 1.306 -13.326 1.00 3.19 H new ATOM 0 HH22 ARG B 24 -9.897 2.721 -14.314 1.00 3.19 H new ATOM 1352 N THR B 25 -12.154 -0.183 -7.894 1.00 0.26 N ATOM 1353 CA THR B 25 -12.425 -1.609 -7.909 1.00 0.29 C ATOM 1354 C THR B 25 -12.829 -2.083 -6.513 1.00 0.28 C ATOM 1355 O THR B 25 -13.596 -3.037 -6.352 1.00 0.33 O ATOM 1356 CB THR B 25 -11.177 -2.385 -8.378 1.00 0.32 C ATOM 1357 OG1 THR B 25 -10.663 -1.800 -9.582 1.00 0.35 O ATOM 1358 CG2 THR B 25 -11.506 -3.850 -8.621 1.00 0.40 C ATOM 0 H THR B 25 -11.191 0.072 -8.113 1.00 0.26 H new ATOM 0 HA THR B 25 -13.244 -1.799 -8.603 1.00 0.29 H new ATOM 0 HB THR B 25 -10.424 -2.326 -7.592 1.00 0.32 H new ATOM 0 HG1 THR B 25 -10.181 -0.975 -9.365 1.00 0.35 H new ATOM 0 HG21 THR B 25 -10.609 -4.374 -8.951 1.00 0.40 H new ATOM 0 HG22 THR B 25 -11.870 -4.299 -7.697 1.00 0.40 H new ATOM 0 HG23 THR B 25 -12.275 -3.928 -9.390 1.00 0.40 H new ATOM 1366 N LEU B 26 -12.315 -1.380 -5.511 1.00 0.26 N ATOM 1367 CA LEU B 26 -12.684 -1.603 -4.125 1.00 0.26 C ATOM 1368 C LEU B 26 -14.159 -1.283 -3.902 1.00 0.26 C ATOM 1369 O LEU B 26 -14.754 -1.741 -2.928 1.00 0.29 O ATOM 1370 CB LEU B 26 -11.830 -0.721 -3.209 1.00 0.24 C ATOM 1371 CG LEU B 26 -10.717 -1.440 -2.445 1.00 0.27 C ATOM 1372 CD1 LEU B 26 -11.296 -2.579 -1.626 1.00 0.33 C ATOM 1373 CD2 LEU B 26 -9.643 -1.953 -3.393 1.00 0.27 C ATOM 0 H LEU B 26 -11.628 -0.637 -5.641 1.00 0.26 H new ATOM 0 HA LEU B 26 -12.511 -2.653 -3.889 1.00 0.26 H new ATOM 0 HB2 LEU B 26 -11.381 0.068 -3.811 1.00 0.24 H new ATOM 0 HB3 LEU B 26 -12.487 -0.236 -2.487 1.00 0.24 H new ATOM 0 HG LEU B 26 -10.249 -0.724 -1.769 1.00 0.27 H new ATOM 0 HD11 LEU B 26 -10.494 -3.083 -1.087 1.00 0.33 H new ATOM 0 HD12 LEU B 26 -12.020 -2.184 -0.914 1.00 0.33 H new ATOM 0 HD13 LEU B 26 -11.790 -3.289 -2.289 1.00 0.33 H new ATOM 0 HD21 LEU B 26 -8.865 -2.459 -2.822 1.00 0.27 H new ATOM 0 HD22 LEU B 26 -10.087 -2.653 -4.101 1.00 0.27 H new ATOM 0 HD23 LEU B 26 -9.207 -1.115 -3.936 1.00 0.27 H new ATOM 1385 N ARG B 27 -14.734 -0.495 -4.823 1.00 0.27 N ATOM 1386 CA ARG B 27 -16.121 -0.040 -4.731 1.00 0.32 C ATOM 1387 C ARG B 27 -16.265 0.982 -3.610 1.00 0.31 C ATOM 1388 O ARG B 27 -17.351 1.198 -3.069 1.00 0.34 O ATOM 1389 CB ARG B 27 -17.063 -1.225 -4.511 1.00 0.37 C ATOM 1390 CG ARG B 27 -18.081 -1.426 -5.625 1.00 0.75 C ATOM 1391 CD ARG B 27 -17.427 -1.509 -6.999 1.00 1.00 C ATOM 1392 NE ARG B 27 -16.425 -2.573 -7.088 1.00 1.79 N ATOM 1393 CZ ARG B 27 -16.325 -3.419 -8.112 1.00 2.41 C ATOM 1394 NH1 ARG B 27 -17.249 -3.425 -9.066 1.00 2.67 N ATOM 1395 NH2 ARG B 27 -15.316 -4.276 -8.166 1.00 3.28 N ATOM 0 H ARG B 27 -14.246 -0.157 -5.652 1.00 0.27 H new ATOM 0 HA ARG B 27 -16.395 0.438 -5.671 1.00 0.32 H new ATOM 0 HB2 ARG B 27 -16.469 -2.133 -4.408 1.00 0.37 H new ATOM 0 HB3 ARG B 27 -17.594 -1.083 -3.570 1.00 0.37 H new ATOM 0 HG2 ARG B 27 -18.645 -2.340 -5.438 1.00 0.75 H new ATOM 0 HG3 ARG B 27 -18.795 -0.603 -5.614 1.00 0.75 H new ATOM 0 HD2 ARG B 27 -18.196 -1.677 -7.753 1.00 1.00 H new ATOM 0 HD3 ARG B 27 -16.957 -0.553 -7.231 1.00 1.00 H new ATOM 0 HE ARG B 27 -15.763 -2.672 -6.319 1.00 1.79 H new ATOM 0 HH11 ARG B 27 -18.038 -2.781 -9.016 1.00 2.67 H new ATOM 0 HH12 ARG B 27 -17.170 -4.074 -9.849 1.00 2.67 H new ATOM 0 HH21 ARG B 27 -14.616 -4.288 -7.424 1.00 3.28 H new ATOM 0 HH22 ARG B 27 -15.239 -4.924 -8.950 1.00 3.28 H new ATOM 1409 N ILE B 28 -15.152 1.626 -3.289 1.00 0.29 N ATOM 1410 CA ILE B 28 -15.099 2.586 -2.197 1.00 0.30 C ATOM 1411 C ILE B 28 -14.702 3.967 -2.730 1.00 0.30 C ATOM 1412 O ILE B 28 -14.795 4.218 -3.934 1.00 0.33 O ATOM 1413 CB ILE B 28 -14.117 2.104 -1.108 1.00 0.31 C ATOM 1414 CG1 ILE B 28 -14.221 0.583 -0.973 1.00 0.34 C ATOM 1415 CG2 ILE B 28 -14.444 2.756 0.231 1.00 0.34 C ATOM 1416 CD1 ILE B 28 -13.290 -0.021 0.051 1.00 0.37 C ATOM 0 H ILE B 28 -14.265 1.498 -3.776 1.00 0.29 H new ATOM 0 HA ILE B 28 -16.087 2.668 -1.745 1.00 0.30 H new ATOM 0 HB ILE B 28 -13.104 2.384 -1.396 1.00 0.31 H new ATOM 0 HG12 ILE B 28 -15.247 0.324 -0.710 1.00 0.34 H new ATOM 0 HG13 ILE B 28 -14.016 0.130 -1.943 1.00 0.34 H new ATOM 0 HG21 ILE B 28 -13.742 2.405 0.988 1.00 0.34 H new ATOM 0 HG22 ILE B 28 -14.365 3.839 0.137 1.00 0.34 H new ATOM 0 HG23 ILE B 28 -15.459 2.490 0.527 1.00 0.34 H new ATOM 0 HD11 ILE B 28 -13.432 -1.101 0.079 1.00 0.37 H new ATOM 0 HD12 ILE B 28 -12.258 0.203 -0.219 1.00 0.37 H new ATOM 0 HD13 ILE B 28 -13.507 0.399 1.033 1.00 0.37 H new ATOM 1428 N ARG B 29 -14.266 4.858 -1.848 1.00 0.28 N ATOM 1429 CA ARG B 29 -14.037 6.250 -2.224 1.00 0.30 C ATOM 1430 C ARG B 29 -12.973 6.904 -1.342 1.00 0.27 C ATOM 1431 O ARG B 29 -12.198 6.212 -0.685 1.00 0.25 O ATOM 1432 CB ARG B 29 -15.380 7.016 -2.165 1.00 0.33 C ATOM 1433 CG ARG B 29 -15.786 7.556 -0.788 1.00 0.57 C ATOM 1434 CD ARG B 29 -15.550 6.568 0.349 1.00 0.59 C ATOM 1435 NE ARG B 29 -16.518 5.477 0.390 1.00 1.03 N ATOM 1436 CZ ARG B 29 -17.051 5.012 1.521 1.00 1.47 C ATOM 1437 NH1 ARG B 29 -16.833 5.648 2.666 1.00 2.15 N ATOM 1438 NH2 ARG B 29 -17.826 3.936 1.501 1.00 1.99 N ATOM 0 H ARG B 29 -14.064 4.644 -0.871 1.00 0.28 H new ATOM 0 HA ARG B 29 -13.653 6.286 -3.243 1.00 0.30 H new ATOM 0 HB2 ARG B 29 -15.329 7.853 -2.861 1.00 0.33 H new ATOM 0 HB3 ARG B 29 -16.169 6.354 -2.521 1.00 0.33 H new ATOM 0 HG2 ARG B 29 -15.227 8.470 -0.586 1.00 0.57 H new ATOM 0 HG3 ARG B 29 -16.842 7.826 -0.810 1.00 0.57 H new ATOM 0 HD2 ARG B 29 -14.548 6.149 0.252 1.00 0.59 H new ATOM 0 HD3 ARG B 29 -15.581 7.105 1.297 1.00 0.59 H new ATOM 0 HE ARG B 29 -16.802 5.048 -0.491 1.00 1.03 H new ATOM 0 HH11 ARG B 29 -16.259 6.491 2.680 1.00 2.15 H new ATOM 0 HH12 ARG B 29 -17.240 5.294 3.532 1.00 2.15 H new ATOM 0 HH21 ARG B 29 -18.016 3.461 0.619 1.00 1.99 H new ATOM 0 HH22 ARG B 29 -18.232 3.584 2.368 1.00 1.99 H new ATOM 1452 N GLU B 30 -12.954 8.237 -1.330 1.00 0.30 N ATOM 1453 CA GLU B 30 -11.997 9.021 -0.544 1.00 0.31 C ATOM 1454 C GLU B 30 -12.306 8.967 0.947 1.00 0.30 C ATOM 1455 O GLU B 30 -12.090 9.925 1.691 1.00 0.36 O ATOM 1456 CB GLU B 30 -12.002 10.462 -1.021 1.00 0.39 C ATOM 1457 CG GLU B 30 -11.237 10.650 -2.308 1.00 0.44 C ATOM 1458 CD GLU B 30 -11.894 9.981 -3.493 1.00 0.55 C ATOM 1459 OE1 GLU B 30 -12.743 10.620 -4.145 1.00 1.18 O ATOM 1460 OE2 GLU B 30 -11.569 8.812 -3.780 1.00 1.08 O ATOM 0 H GLU B 30 -13.606 8.808 -1.868 1.00 0.30 H new ATOM 0 HA GLU B 30 -11.009 8.585 -0.691 1.00 0.31 H new ATOM 0 HB2 GLU B 30 -13.032 10.790 -1.163 1.00 0.39 H new ATOM 0 HB3 GLU B 30 -11.569 11.098 -0.249 1.00 0.39 H new ATOM 0 HG2 GLU B 30 -11.136 11.716 -2.511 1.00 0.44 H new ATOM 0 HG3 GLU B 30 -10.230 10.252 -2.186 1.00 0.44 H new ATOM 1467 N GLY B 31 -12.803 7.824 1.362 1.00 0.26 N ATOM 1468 CA GLY B 31 -13.014 7.534 2.752 1.00 0.26 C ATOM 1469 C GLY B 31 -12.887 6.049 2.985 1.00 0.27 C ATOM 1470 O GLY B 31 -13.546 5.475 3.850 1.00 0.35 O ATOM 0 H GLY B 31 -13.073 7.066 0.735 1.00 0.26 H new ATOM 0 HA2 GLY B 31 -12.286 8.071 3.360 1.00 0.26 H new ATOM 0 HA3 GLY B 31 -14.002 7.877 3.059 1.00 0.26 H new ATOM 1474 N ASP B 32 -12.051 5.434 2.161 1.00 0.27 N ATOM 1475 CA ASP B 32 -11.703 4.030 2.288 1.00 0.29 C ATOM 1476 C ASP B 32 -10.566 3.859 3.269 1.00 0.26 C ATOM 1477 O ASP B 32 -9.554 4.557 3.191 1.00 0.29 O ATOM 1478 CB ASP B 32 -11.291 3.464 0.930 1.00 0.35 C ATOM 1479 CG ASP B 32 -10.617 2.113 1.025 1.00 0.41 C ATOM 1480 OD1 ASP B 32 -11.198 1.202 1.648 1.00 1.07 O ATOM 1481 OD2 ASP B 32 -9.514 1.968 0.466 1.00 1.29 O ATOM 0 H ASP B 32 -11.592 5.902 1.379 1.00 0.27 H new ATOM 0 HA ASP B 32 -12.577 3.490 2.653 1.00 0.29 H new ATOM 0 HB2 ASP B 32 -12.174 3.378 0.297 1.00 0.35 H new ATOM 0 HB3 ASP B 32 -10.615 4.166 0.441 1.00 0.35 H new ATOM 1486 N PRO B 33 -10.733 2.976 4.237 1.00 0.21 N ATOM 1487 CA PRO B 33 -9.676 2.624 5.138 1.00 0.24 C ATOM 1488 C PRO B 33 -8.822 1.512 4.580 1.00 0.41 C ATOM 1489 O PRO B 33 -9.292 0.667 3.840 1.00 1.10 O ATOM 1490 CB PRO B 33 -10.396 2.151 6.392 1.00 0.19 C ATOM 1491 CG PRO B 33 -11.828 1.937 6.002 1.00 0.12 C ATOM 1492 CD PRO B 33 -11.961 2.247 4.531 1.00 0.20 C ATOM 0 HA PRO B 33 -9.003 3.461 5.320 1.00 0.24 H new ATOM 0 HB2 PRO B 33 -9.954 1.229 6.769 1.00 0.19 H new ATOM 0 HB3 PRO B 33 -10.317 2.891 7.188 1.00 0.19 H new ATOM 0 HG2 PRO B 33 -12.128 0.909 6.204 1.00 0.12 H new ATOM 0 HG3 PRO B 33 -12.483 2.581 6.588 1.00 0.12 H new ATOM 0 HD2 PRO B 33 -12.044 1.339 3.933 1.00 0.20 H new ATOM 0 HD3 PRO B 33 -12.847 2.848 4.324 1.00 0.20 H new ATOM 1500 N LEU B 34 -7.565 1.523 4.917 1.00 0.25 N ATOM 1501 CA LEU B 34 -6.701 0.438 4.551 1.00 0.19 C ATOM 1502 C LEU B 34 -5.815 0.093 5.718 1.00 0.19 C ATOM 1503 O LEU B 34 -5.425 0.954 6.477 1.00 0.22 O ATOM 1504 CB LEU B 34 -5.852 0.795 3.333 1.00 0.19 C ATOM 1505 CG LEU B 34 -6.621 1.439 2.186 1.00 0.27 C ATOM 1506 CD1 LEU B 34 -6.123 2.851 1.944 1.00 0.32 C ATOM 1507 CD2 LEU B 34 -6.503 0.601 0.923 1.00 0.44 C ATOM 0 H LEU B 34 -7.115 2.271 5.445 1.00 0.25 H new ATOM 0 HA LEU B 34 -7.315 -0.423 4.288 1.00 0.19 H new ATOM 0 HB2 LEU B 34 -5.059 1.474 3.647 1.00 0.19 H new ATOM 0 HB3 LEU B 34 -5.370 -0.111 2.965 1.00 0.19 H new ATOM 0 HG LEU B 34 -7.675 1.489 2.461 1.00 0.27 H new ATOM 0 HD11 LEU B 34 -6.682 3.298 1.122 1.00 0.32 H new ATOM 0 HD12 LEU B 34 -6.265 3.447 2.846 1.00 0.32 H new ATOM 0 HD13 LEU B 34 -5.063 2.825 1.690 1.00 0.32 H new ATOM 0 HD21 LEU B 34 -7.059 1.078 0.116 1.00 0.44 H new ATOM 0 HD22 LEU B 34 -5.454 0.516 0.640 1.00 0.44 H new ATOM 0 HD23 LEU B 34 -6.911 -0.393 1.106 1.00 0.44 H new ATOM 1519 N GLU B 35 -5.474 -1.156 5.813 1.00 0.18 N ATOM 1520 CA GLU B 35 -4.638 -1.617 6.889 1.00 0.17 C ATOM 1521 C GLU B 35 -3.271 -1.853 6.345 1.00 0.13 C ATOM 1522 O GLU B 35 -3.092 -2.742 5.528 1.00 0.12 O ATOM 1523 CB GLU B 35 -5.174 -2.879 7.549 1.00 0.20 C ATOM 1524 CG GLU B 35 -4.270 -3.400 8.656 1.00 0.21 C ATOM 1525 CD GLU B 35 -4.910 -4.505 9.467 1.00 0.28 C ATOM 1526 OE1 GLU B 35 -6.127 -4.737 9.309 1.00 1.09 O ATOM 1527 OE2 GLU B 35 -4.196 -5.158 10.252 1.00 1.10 O ATOM 0 H GLU B 35 -5.762 -1.881 5.156 1.00 0.18 H new ATOM 0 HA GLU B 35 -4.620 -0.853 7.667 1.00 0.17 H new ATOM 0 HB2 GLU B 35 -6.163 -2.676 7.960 1.00 0.20 H new ATOM 0 HB3 GLU B 35 -5.297 -3.654 6.793 1.00 0.20 H new ATOM 0 HG2 GLU B 35 -3.342 -3.768 8.218 1.00 0.21 H new ATOM 0 HG3 GLU B 35 -4.004 -2.577 9.319 1.00 0.21 H new ATOM 1534 N ILE B 36 -2.335 -1.025 6.773 1.00 0.12 N ATOM 1535 CA ILE B 36 -0.969 -1.084 6.316 1.00 0.11 C ATOM 1536 C ILE B 36 -0.206 -2.084 7.161 1.00 0.11 C ATOM 1537 O ILE B 36 0.023 -1.857 8.352 1.00 0.14 O ATOM 1538 CB ILE B 36 -0.281 0.311 6.423 1.00 0.13 C ATOM 1539 CG1 ILE B 36 -0.870 1.308 5.417 1.00 0.15 C ATOM 1540 CG2 ILE B 36 1.226 0.205 6.235 1.00 0.17 C ATOM 1541 CD1 ILE B 36 -2.196 1.921 5.830 1.00 0.62 C ATOM 0 H ILE B 36 -2.510 -0.287 7.455 1.00 0.12 H new ATOM 0 HA ILE B 36 -0.966 -1.390 5.270 1.00 0.11 H new ATOM 0 HB ILE B 36 -0.476 0.684 7.428 1.00 0.13 H new ATOM 0 HG12 ILE B 36 -0.149 2.110 5.257 1.00 0.15 H new ATOM 0 HG13 ILE B 36 -1.002 0.802 4.460 1.00 0.15 H new ATOM 0 HG21 ILE B 36 1.673 1.196 6.316 1.00 0.17 H new ATOM 0 HG22 ILE B 36 1.644 -0.445 7.003 1.00 0.17 H new ATOM 0 HG23 ILE B 36 1.442 -0.211 5.251 1.00 0.17 H new ATOM 0 HD11 ILE B 36 -2.534 2.612 5.058 1.00 0.62 H new ATOM 0 HD12 ILE B 36 -2.937 1.132 5.960 1.00 0.62 H new ATOM 0 HD13 ILE B 36 -2.071 2.460 6.769 1.00 0.62 H new ATOM 1553 N PHE B 37 0.134 -3.204 6.560 1.00 0.10 N ATOM 1554 CA PHE B 37 0.948 -4.195 7.227 1.00 0.11 C ATOM 1555 C PHE B 37 1.785 -4.951 6.207 1.00 0.10 C ATOM 1556 O PHE B 37 1.269 -5.456 5.218 1.00 0.10 O ATOM 1557 CB PHE B 37 0.079 -5.133 8.086 1.00 0.12 C ATOM 1558 CG PHE B 37 -0.636 -6.231 7.346 1.00 0.21 C ATOM 1559 CD1 PHE B 37 -1.890 -6.018 6.800 1.00 1.09 C ATOM 1560 CD2 PHE B 37 -0.057 -7.485 7.215 1.00 1.16 C ATOM 1561 CE1 PHE B 37 -2.549 -7.032 6.134 1.00 1.14 C ATOM 1562 CE2 PHE B 37 -0.713 -8.502 6.551 1.00 1.20 C ATOM 1563 CZ PHE B 37 -1.961 -8.276 6.010 1.00 0.49 C ATOM 0 H PHE B 37 -0.142 -3.450 5.609 1.00 0.10 H new ATOM 0 HA PHE B 37 1.634 -3.695 7.910 1.00 0.11 H new ATOM 0 HB2 PHE B 37 0.713 -5.588 8.847 1.00 0.12 H new ATOM 0 HB3 PHE B 37 -0.664 -4.530 8.609 1.00 0.12 H new ATOM 0 HD1 PHE B 37 -2.357 -5.049 6.896 1.00 1.09 H new ATOM 0 HD2 PHE B 37 0.920 -7.668 7.638 1.00 1.16 H new ATOM 0 HE1 PHE B 37 -3.526 -6.852 5.709 1.00 1.14 H new ATOM 0 HE2 PHE B 37 -0.250 -9.473 6.455 1.00 1.20 H new ATOM 0 HZ PHE B 37 -2.478 -9.070 5.491 1.00 0.49 H new ATOM 1573 N VAL B 38 3.083 -4.994 6.432 1.00 0.10 N ATOM 1574 CA VAL B 38 3.986 -5.651 5.499 1.00 0.10 C ATOM 1575 C VAL B 38 3.986 -7.151 5.703 1.00 0.13 C ATOM 1576 O VAL B 38 3.956 -7.644 6.830 1.00 0.20 O ATOM 1577 CB VAL B 38 5.432 -5.097 5.594 1.00 0.13 C ATOM 1578 CG1 VAL B 38 5.838 -4.862 7.045 1.00 0.18 C ATOM 1579 CG2 VAL B 38 6.427 -6.032 4.898 1.00 0.17 C ATOM 0 H VAL B 38 3.538 -4.585 7.248 1.00 0.10 H new ATOM 0 HA VAL B 38 3.614 -5.433 4.498 1.00 0.10 H new ATOM 0 HB VAL B 38 5.452 -4.137 5.079 1.00 0.13 H new ATOM 0 HG11 VAL B 38 6.856 -4.474 7.080 1.00 0.18 H new ATOM 0 HG12 VAL B 38 5.159 -4.141 7.501 1.00 0.18 H new ATOM 0 HG13 VAL B 38 5.790 -5.803 7.593 1.00 0.18 H new ATOM 0 HG21 VAL B 38 7.433 -5.619 4.980 1.00 0.17 H new ATOM 0 HG22 VAL B 38 6.398 -7.013 5.372 1.00 0.17 H new ATOM 0 HG23 VAL B 38 6.160 -6.130 3.846 1.00 0.17 H new ATOM 1589 N ASP B 39 4.014 -7.857 4.588 1.00 0.14 N ATOM 1590 CA ASP B 39 3.976 -9.305 4.588 1.00 0.19 C ATOM 1591 C ASP B 39 5.319 -9.872 5.018 1.00 0.42 C ATOM 1592 O ASP B 39 5.391 -10.710 5.914 1.00 1.05 O ATOM 1593 CB ASP B 39 3.625 -9.814 3.182 1.00 0.26 C ATOM 1594 CG ASP B 39 3.081 -11.233 3.194 1.00 0.32 C ATOM 1595 OD1 ASP B 39 3.880 -12.183 3.288 1.00 1.13 O ATOM 1596 OD2 ASP B 39 1.844 -11.402 3.093 1.00 1.14 O ATOM 0 H ASP B 39 4.064 -7.442 3.658 1.00 0.14 H new ATOM 0 HA ASP B 39 3.215 -9.635 5.295 1.00 0.19 H new ATOM 0 HB2 ASP B 39 2.887 -9.150 2.733 1.00 0.26 H new ATOM 0 HB3 ASP B 39 4.514 -9.775 2.553 1.00 0.26 H new ATOM 1601 N ARG B 40 6.390 -9.386 4.397 1.00 0.46 N ATOM 1602 CA ARG B 40 7.692 -10.023 4.543 1.00 0.54 C ATOM 1603 C ARG B 40 8.799 -9.027 4.840 1.00 0.52 C ATOM 1604 O ARG B 40 9.319 -8.964 5.950 1.00 0.59 O ATOM 1605 CB ARG B 40 8.038 -10.754 3.273 1.00 0.65 C ATOM 1606 CG ARG B 40 6.841 -11.403 2.651 1.00 0.75 C ATOM 1607 CD ARG B 40 7.077 -11.601 1.187 1.00 0.77 C ATOM 1608 NE ARG B 40 8.200 -12.508 0.928 1.00 1.29 N ATOM 1609 CZ ARG B 40 9.169 -12.281 0.035 1.00 2.04 C ATOM 1610 NH1 ARG B 40 9.165 -11.182 -0.711 1.00 2.59 N ATOM 1611 NH2 ARG B 40 10.158 -13.157 -0.101 1.00 2.71 N ATOM 0 H ARG B 40 6.382 -8.563 3.795 1.00 0.46 H new ATOM 0 HA ARG B 40 7.619 -10.709 5.387 1.00 0.54 H new ATOM 0 HB2 ARG B 40 8.481 -10.056 2.563 1.00 0.65 H new ATOM 0 HB3 ARG B 40 8.791 -11.513 3.486 1.00 0.65 H new ATOM 0 HG2 ARG B 40 6.645 -12.362 3.130 1.00 0.75 H new ATOM 0 HG3 ARG B 40 5.958 -10.783 2.806 1.00 0.75 H new ATOM 0 HD2 ARG B 40 6.174 -12.001 0.725 1.00 0.77 H new ATOM 0 HD3 ARG B 40 7.274 -10.637 0.718 1.00 0.77 H new ATOM 0 HE ARG B 40 8.245 -13.373 1.467 1.00 1.29 H new ATOM 0 HH11 ARG B 40 8.416 -10.498 -0.607 1.00 2.59 H new ATOM 0 HH12 ARG B 40 9.911 -11.022 -1.388 1.00 2.59 H new ATOM 0 HH21 ARG B 40 10.176 -13.999 0.475 1.00 2.71 H new ATOM 0 HH22 ARG B 40 10.899 -12.988 -0.781 1.00 2.71 H new ATOM 1625 N ASP B 41 9.165 -8.267 3.822 1.00 0.53 N ATOM 1626 CA ASP B 41 10.313 -7.383 3.901 1.00 0.56 C ATOM 1627 C ASP B 41 9.925 -5.960 3.566 1.00 0.48 C ATOM 1628 O ASP B 41 9.926 -5.072 4.423 1.00 0.59 O ATOM 1629 CB ASP B 41 11.373 -7.860 2.913 1.00 0.59 C ATOM 1630 CG ASP B 41 12.600 -6.956 2.871 1.00 0.62 C ATOM 1631 OD1 ASP B 41 13.433 -7.024 3.801 1.00 1.32 O ATOM 1632 OD2 ASP B 41 12.749 -6.184 1.897 1.00 1.18 O ATOM 0 H ASP B 41 8.679 -8.246 2.925 1.00 0.53 H new ATOM 0 HA ASP B 41 10.702 -7.404 4.919 1.00 0.56 H new ATOM 0 HB2 ASP B 41 11.682 -8.870 3.181 1.00 0.59 H new ATOM 0 HB3 ASP B 41 10.934 -7.914 1.917 1.00 0.59 H new ATOM 1637 N GLY B 42 9.574 -5.766 2.311 1.00 0.34 N ATOM 1638 CA GLY B 42 9.260 -4.446 1.827 1.00 0.26 C ATOM 1639 C GLY B 42 7.948 -4.409 1.091 1.00 0.18 C ATOM 1640 O GLY B 42 7.620 -3.415 0.452 1.00 0.17 O ATOM 0 H GLY B 42 9.500 -6.506 1.613 1.00 0.34 H new ATOM 0 HA2 GLY B 42 9.224 -3.752 2.667 1.00 0.26 H new ATOM 0 HA3 GLY B 42 10.056 -4.104 1.165 1.00 0.26 H new ATOM 1644 N GLU B 43 7.207 -5.502 1.167 1.00 0.15 N ATOM 1645 CA GLU B 43 5.890 -5.564 0.572 1.00 0.12 C ATOM 1646 C GLU B 43 4.845 -5.188 1.600 1.00 0.09 C ATOM 1647 O GLU B 43 4.541 -5.970 2.499 1.00 0.09 O ATOM 1648 CB GLU B 43 5.588 -6.957 0.022 1.00 0.16 C ATOM 1649 CG GLU B 43 6.289 -8.080 0.761 1.00 0.57 C ATOM 1650 CD GLU B 43 7.678 -8.346 0.241 1.00 1.17 C ATOM 1651 OE1 GLU B 43 7.804 -8.934 -0.853 1.00 1.65 O ATOM 1652 OE2 GLU B 43 8.645 -7.984 0.942 1.00 2.07 O ATOM 0 H GLU B 43 7.500 -6.359 1.637 1.00 0.15 H new ATOM 0 HA GLU B 43 5.865 -4.859 -0.259 1.00 0.12 H new ATOM 0 HB2 GLU B 43 4.512 -7.126 0.062 1.00 0.16 H new ATOM 0 HB3 GLU B 43 5.877 -6.992 -1.028 1.00 0.16 H new ATOM 0 HG2 GLU B 43 6.345 -7.832 1.821 1.00 0.57 H new ATOM 0 HG3 GLU B 43 5.695 -8.990 0.677 1.00 0.57 H new ATOM 1659 N VAL B 44 4.314 -3.990 1.483 1.00 0.08 N ATOM 1660 CA VAL B 44 3.292 -3.540 2.402 1.00 0.07 C ATOM 1661 C VAL B 44 1.927 -3.922 1.877 1.00 0.07 C ATOM 1662 O VAL B 44 1.627 -3.734 0.708 1.00 0.08 O ATOM 1663 CB VAL B 44 3.319 -2.022 2.625 1.00 0.09 C ATOM 1664 CG1 VAL B 44 2.690 -1.690 3.967 1.00 0.10 C ATOM 1665 CG2 VAL B 44 4.738 -1.475 2.532 1.00 0.13 C ATOM 0 H VAL B 44 4.571 -3.313 0.764 1.00 0.08 H new ATOM 0 HA VAL B 44 3.496 -4.025 3.357 1.00 0.07 H new ATOM 0 HB VAL B 44 2.738 -1.543 1.837 1.00 0.09 H new ATOM 0 HG11 VAL B 44 2.711 -0.611 4.122 1.00 0.10 H new ATOM 0 HG12 VAL B 44 1.657 -2.039 3.981 1.00 0.10 H new ATOM 0 HG13 VAL B 44 3.250 -2.182 4.763 1.00 0.10 H new ATOM 0 HG21 VAL B 44 4.724 -0.397 2.694 1.00 0.13 H new ATOM 0 HG22 VAL B 44 5.361 -1.948 3.291 1.00 0.13 H new ATOM 0 HG23 VAL B 44 5.146 -1.688 1.544 1.00 0.13 H new ATOM 1675 N ILE B 45 1.109 -4.458 2.746 1.00 0.07 N ATOM 1676 CA ILE B 45 -0.210 -4.911 2.372 1.00 0.08 C ATOM 1677 C ILE B 45 -1.223 -3.979 3.001 1.00 0.09 C ATOM 1678 O ILE B 45 -1.272 -3.867 4.219 1.00 0.11 O ATOM 1679 CB ILE B 45 -0.473 -6.352 2.850 1.00 0.10 C ATOM 1680 CG1 ILE B 45 0.327 -7.367 2.014 1.00 0.10 C ATOM 1681 CG2 ILE B 45 -1.967 -6.679 2.793 1.00 0.12 C ATOM 1682 CD1 ILE B 45 1.825 -7.194 2.045 1.00 0.09 C ATOM 0 H ILE B 45 1.336 -4.593 3.731 1.00 0.07 H new ATOM 0 HA ILE B 45 -0.291 -4.905 1.285 1.00 0.08 H new ATOM 0 HB ILE B 45 -0.141 -6.424 3.886 1.00 0.10 H new ATOM 0 HG12 ILE B 45 0.087 -8.371 2.365 1.00 0.10 H new ATOM 0 HG13 ILE B 45 -0.008 -7.303 0.979 1.00 0.10 H new ATOM 0 HG21 ILE B 45 -2.129 -7.701 3.135 1.00 0.12 H new ATOM 0 HG22 ILE B 45 -2.515 -5.990 3.436 1.00 0.12 H new ATOM 0 HG23 ILE B 45 -2.323 -6.579 1.767 1.00 0.12 H new ATOM 0 HD11 ILE B 45 2.292 -7.959 1.425 1.00 0.09 H new ATOM 0 HD12 ILE B 45 2.085 -6.207 1.662 1.00 0.09 H new ATOM 0 HD13 ILE B 45 2.181 -7.291 3.071 1.00 0.09 H new ATOM 1694 N LEU B 46 -1.972 -3.281 2.173 1.00 0.09 N ATOM 1695 CA LEU B 46 -2.995 -2.351 2.637 1.00 0.10 C ATOM 1696 C LEU B 46 -4.366 -2.914 2.335 1.00 0.11 C ATOM 1697 O LEU B 46 -4.716 -3.072 1.177 1.00 0.11 O ATOM 1698 CB LEU B 46 -2.835 -1.024 1.900 1.00 0.11 C ATOM 1699 CG LEU B 46 -1.420 -0.744 1.418 1.00 0.10 C ATOM 1700 CD1 LEU B 46 -1.439 0.343 0.368 1.00 0.15 C ATOM 1701 CD2 LEU B 46 -0.520 -0.353 2.577 1.00 0.13 C ATOM 0 H LEU B 46 -1.893 -3.338 1.158 1.00 0.09 H new ATOM 0 HA LEU B 46 -2.888 -2.200 3.711 1.00 0.10 H new ATOM 0 HB2 LEU B 46 -3.507 -1.015 1.042 1.00 0.11 H new ATOM 0 HB3 LEU B 46 -3.149 -0.215 2.560 1.00 0.11 H new ATOM 0 HG LEU B 46 -1.017 -1.655 0.975 1.00 0.10 H new ATOM 0 HD11 LEU B 46 -0.422 0.538 0.028 1.00 0.15 H new ATOM 0 HD12 LEU B 46 -2.049 0.022 -0.477 1.00 0.15 H new ATOM 0 HD13 LEU B 46 -1.860 1.254 0.795 1.00 0.15 H new ATOM 0 HD21 LEU B 46 0.486 -0.158 2.206 1.00 0.13 H new ATOM 0 HD22 LEU B 46 -0.911 0.545 3.055 1.00 0.13 H new ATOM 0 HD23 LEU B 46 -0.488 -1.165 3.303 1.00 0.13 H new ATOM 1713 N LYS B 47 -5.153 -3.202 3.349 1.00 0.12 N ATOM 1714 CA LYS B 47 -6.466 -3.791 3.100 1.00 0.16 C ATOM 1715 C LYS B 47 -7.596 -2.984 3.740 1.00 0.14 C ATOM 1716 O LYS B 47 -7.436 -2.430 4.811 1.00 0.14 O ATOM 1717 CB LYS B 47 -6.452 -5.270 3.518 1.00 0.22 C ATOM 1718 CG LYS B 47 -7.562 -5.709 4.457 1.00 0.24 C ATOM 1719 CD LYS B 47 -7.197 -5.480 5.916 1.00 0.40 C ATOM 1720 CE LYS B 47 -5.829 -6.058 6.255 1.00 0.52 C ATOM 1721 NZ LYS B 47 -5.812 -6.692 7.605 1.00 0.95 N ATOM 0 H LYS B 47 -4.923 -3.046 4.330 1.00 0.12 H new ATOM 0 HA LYS B 47 -6.676 -3.752 2.031 1.00 0.16 H new ATOM 0 HB2 LYS B 47 -6.503 -5.882 2.617 1.00 0.22 H new ATOM 0 HB3 LYS B 47 -5.495 -5.483 3.995 1.00 0.22 H new ATOM 0 HG2 LYS B 47 -8.474 -5.161 4.221 1.00 0.24 H new ATOM 0 HG3 LYS B 47 -7.775 -6.766 4.298 1.00 0.24 H new ATOM 0 HD2 LYS B 47 -7.203 -4.411 6.128 1.00 0.40 H new ATOM 0 HD3 LYS B 47 -7.953 -5.936 6.556 1.00 0.40 H new ATOM 0 HE2 LYS B 47 -5.551 -6.797 5.503 1.00 0.52 H new ATOM 0 HE3 LYS B 47 -5.081 -5.266 6.216 1.00 0.52 H new ATOM 0 HZ1 LYS B 47 -4.828 -6.828 7.912 1.00 0.95 H new ATOM 0 HZ2 LYS B 47 -6.305 -6.077 8.284 1.00 0.95 H new ATOM 0 HZ3 LYS B 47 -6.291 -7.614 7.562 1.00 0.95 H new ATOM 1735 N LYS B 48 -8.739 -2.981 3.058 1.00 0.17 N ATOM 1736 CA LYS B 48 -9.884 -2.069 3.289 1.00 0.17 C ATOM 1737 C LYS B 48 -10.345 -1.847 4.744 1.00 0.13 C ATOM 1738 O LYS B 48 -11.198 -0.992 4.973 1.00 0.16 O ATOM 1739 CB LYS B 48 -11.055 -2.580 2.497 1.00 0.22 C ATOM 1740 CG LYS B 48 -11.182 -4.082 2.591 1.00 0.24 C ATOM 1741 CD LYS B 48 -11.651 -4.682 1.286 1.00 0.35 C ATOM 1742 CE LYS B 48 -13.047 -4.221 0.918 1.00 0.43 C ATOM 1743 NZ LYS B 48 -13.723 -5.190 0.014 1.00 0.64 N ATOM 0 H LYS B 48 -8.911 -3.636 2.296 1.00 0.17 H new ATOM 0 HA LYS B 48 -9.516 -1.092 2.975 1.00 0.17 H new ATOM 0 HB2 LYS B 48 -11.971 -2.114 2.861 1.00 0.22 H new ATOM 0 HB3 LYS B 48 -10.942 -2.289 1.453 1.00 0.22 H new ATOM 0 HG2 LYS B 48 -10.219 -4.513 2.865 1.00 0.24 H new ATOM 0 HG3 LYS B 48 -11.884 -4.340 3.384 1.00 0.24 H new ATOM 0 HD2 LYS B 48 -10.957 -4.408 0.491 1.00 0.35 H new ATOM 0 HD3 LYS B 48 -11.636 -5.769 1.361 1.00 0.35 H new ATOM 0 HE2 LYS B 48 -13.639 -4.094 1.824 1.00 0.43 H new ATOM 0 HE3 LYS B 48 -12.993 -3.246 0.433 1.00 0.43 H new ATOM 0 HZ1 LYS B 48 -14.564 -4.745 -0.405 1.00 0.64 H new ATOM 0 HZ2 LYS B 48 -13.068 -5.474 -0.743 1.00 0.64 H new ATOM 0 HZ3 LYS B 48 -14.009 -6.030 0.557 1.00 0.64 H new ATOM 1757 N TYR B 49 -9.852 -2.630 5.698 1.00 0.13 N ATOM 1758 CA TYR B 49 -10.108 -2.398 7.127 1.00 0.15 C ATOM 1759 C TYR B 49 -11.546 -2.730 7.538 1.00 0.18 C ATOM 1760 O TYR B 49 -11.763 -3.432 8.522 1.00 0.25 O ATOM 1761 CB TYR B 49 -9.825 -0.949 7.518 1.00 0.19 C ATOM 1762 CG TYR B 49 -10.230 -0.623 8.945 1.00 0.31 C ATOM 1763 CD1 TYR B 49 -9.801 -1.406 10.012 1.00 1.18 C ATOM 1764 CD2 TYR B 49 -11.063 0.455 9.219 1.00 1.14 C ATOM 1765 CE1 TYR B 49 -10.186 -1.119 11.305 1.00 1.26 C ATOM 1766 CE2 TYR B 49 -11.453 0.745 10.511 1.00 1.19 C ATOM 1767 CZ TYR B 49 -11.011 -0.044 11.550 1.00 0.62 C ATOM 1768 OH TYR B 49 -11.402 0.238 12.839 1.00 0.79 O ATOM 0 H TYR B 49 -9.265 -3.443 5.510 1.00 0.13 H new ATOM 0 HA TYR B 49 -9.429 -3.071 7.651 1.00 0.15 H new ATOM 0 HB2 TYR B 49 -8.761 -0.748 7.394 1.00 0.19 H new ATOM 0 HB3 TYR B 49 -10.356 -0.285 6.836 1.00 0.19 H new ATOM 0 HD1 TYR B 49 -9.156 -2.252 9.825 1.00 1.18 H new ATOM 0 HD2 TYR B 49 -11.411 1.077 8.407 1.00 1.14 H new ATOM 0 HE1 TYR B 49 -9.842 -1.735 12.122 1.00 1.26 H new ATOM 0 HE2 TYR B 49 -12.101 1.586 10.706 1.00 1.19 H new ATOM 0 HH TYR B 49 -11.982 1.028 12.840 1.00 0.79 H new ATOM 1778 N SER B 50 -12.518 -2.184 6.808 1.00 0.20 N ATOM 1779 CA SER B 50 -13.928 -2.328 7.145 1.00 0.28 C ATOM 1780 C SER B 50 -14.300 -3.801 7.364 1.00 0.29 C ATOM 1781 O SER B 50 -14.799 -4.153 8.433 1.00 0.35 O ATOM 1782 CB SER B 50 -14.810 -1.676 6.065 1.00 0.39 C ATOM 1783 OG SER B 50 -16.189 -1.817 6.369 1.00 1.22 O ATOM 0 H SER B 50 -12.347 -1.631 5.968 1.00 0.20 H new ATOM 0 HA SER B 50 -14.109 -1.808 8.085 1.00 0.28 H new ATOM 0 HB2 SER B 50 -14.561 -0.618 5.979 1.00 0.39 H new ATOM 0 HB3 SER B 50 -14.600 -2.132 5.098 1.00 0.39 H new ATOM 0 HG SER B 50 -16.724 -1.392 5.667 1.00 1.22 H new ATOM 1789 N PRO B 51 -14.069 -4.692 6.376 1.00 0.34 N ATOM 1790 CA PRO B 51 -14.211 -6.130 6.587 1.00 0.43 C ATOM 1791 C PRO B 51 -12.919 -6.747 7.094 1.00 0.45 C ATOM 1792 O PRO B 51 -12.767 -7.968 7.124 1.00 0.56 O ATOM 1793 CB PRO B 51 -14.503 -6.637 5.189 1.00 0.52 C ATOM 1794 CG PRO B 51 -13.701 -5.747 4.312 1.00 0.47 C ATOM 1795 CD PRO B 51 -13.707 -4.394 4.974 1.00 0.41 C ATOM 0 HA PRO B 51 -14.973 -6.376 7.327 1.00 0.43 H new ATOM 0 HB2 PRO B 51 -14.211 -7.681 5.073 1.00 0.52 H new ATOM 0 HB3 PRO B 51 -15.566 -6.576 4.956 1.00 0.52 H new ATOM 0 HG2 PRO B 51 -12.684 -6.122 4.201 1.00 0.47 H new ATOM 0 HG3 PRO B 51 -14.132 -5.694 3.312 1.00 0.47 H new ATOM 0 HD2 PRO B 51 -12.732 -3.911 4.906 1.00 0.41 H new ATOM 0 HD3 PRO B 51 -14.429 -3.723 4.508 1.00 0.41 H new ATOM 1803 N ILE B 52 -11.997 -5.874 7.497 1.00 0.37 N ATOM 1804 CA ILE B 52 -10.654 -6.265 7.893 1.00 0.45 C ATOM 1805 C ILE B 52 -10.059 -7.149 6.812 1.00 0.57 C ATOM 1806 O ILE B 52 -10.249 -6.892 5.623 1.00 0.57 O ATOM 1807 CB ILE B 52 -10.659 -7.002 9.250 1.00 0.60 C ATOM 1808 CG1 ILE B 52 -11.844 -6.531 10.087 1.00 0.50 C ATOM 1809 CG2 ILE B 52 -9.355 -6.740 10.003 1.00 0.73 C ATOM 1810 CD1 ILE B 52 -11.929 -7.177 11.452 1.00 0.70 C ATOM 0 H ILE B 52 -12.167 -4.870 7.557 1.00 0.37 H new ATOM 0 HA ILE B 52 -10.047 -5.368 8.013 1.00 0.45 H new ATOM 0 HB ILE B 52 -10.748 -8.073 9.068 1.00 0.60 H new ATOM 0 HG12 ILE B 52 -11.781 -5.450 10.211 1.00 0.50 H new ATOM 0 HG13 ILE B 52 -12.765 -6.736 9.541 1.00 0.50 H new ATOM 0 HG21 ILE B 52 -9.374 -7.266 10.957 1.00 0.73 H new ATOM 0 HG22 ILE B 52 -8.514 -7.097 9.409 1.00 0.73 H new ATOM 0 HG23 ILE B 52 -9.246 -5.670 10.181 1.00 0.73 H new ATOM 0 HD11 ILE B 52 -12.798 -6.790 11.984 1.00 0.70 H new ATOM 0 HD12 ILE B 52 -12.025 -8.257 11.338 1.00 0.70 H new ATOM 0 HD13 ILE B 52 -11.026 -6.951 12.018 1.00 0.70 H new