USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 712 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 HIS :FLIP no HE2:sc= 0.563 F(o=-0.52,f=1.4) USER MOD Set 1.2: A 102 TYR OH : rot 84:sc= 0.795 USER MOD Set 2.1: A 37 SER OG : rot 180:sc= -0.0608 USER MOD Set 2.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.23 K(o=-0.23,f=-3.6!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 12 TYR OH : rot -81:sc= 0.91 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.489 K(o=-0.49,f=-7.2!) USER MOD Single : A 23 TYR OH : rot -83:sc= 0.311 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 26 LYS NZ :NH3+ -166:sc= 0.992 (180deg=0.867) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.44) USER MOD Single : A 30 SER OG : rot 40:sc= 0.0931 USER MOD Single : A 40 ASN : amide:sc= -0.17 K(o=-0.17,f=-3.3!) USER MOD Single : A 48 LYS NZ :NH3+ 135:sc= 0.16 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -2.19! C(o=-2.2!,f=-2.5!) USER MOD Single : A 89 TYR OH : rot 30:sc= 0 USER MOD Single : A 90 SER OG : rot 119:sc= 1.96 USER MOD Single : A 91 SER OG : rot -156:sc= 0.963 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 90:sc= 0.637 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0248 USER MOD Single : A 104 THR OG1 : rot 35:sc= 0.269 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.166 USER MOD ----------------------------------------------------------------- ATOM 27 N ILE A 3 7.683 -0.578 10.157 1.00 0.00 N ATOM 28 CA ILE A 3 6.266 -0.871 10.298 1.00 0.00 C ATOM 29 C ILE A 3 5.725 -1.403 8.970 1.00 0.00 C ATOM 30 O ILE A 3 5.727 -0.693 7.965 1.00 0.00 O ATOM 31 CB ILE A 3 5.515 0.354 10.822 1.00 0.00 C ATOM 32 CG1 ILE A 3 6.110 0.838 12.146 1.00 0.00 C ATOM 33 CG2 ILE A 3 4.016 0.071 10.936 1.00 0.00 C ATOM 34 CD1 ILE A 3 5.507 2.181 12.560 1.00 0.00 C ATOM 0 HA ILE A 3 6.111 -1.653 11.042 1.00 0.00 H new ATOM 0 HB ILE A 3 5.636 1.162 10.101 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.925 0.097 12.924 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.191 0.935 12.049 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.506 0.958 11.311 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.619 -0.189 9.955 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.854 -0.759 11.624 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.947 2.502 13.504 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.714 2.925 11.791 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.429 2.074 12.680 1.00 0.00 H new ATOM 46 N ASN A 4 5.274 -2.649 9.007 1.00 0.00 N ATOM 47 CA ASN A 4 4.976 -3.374 7.784 1.00 0.00 C ATOM 48 C ASN A 4 4.016 -4.523 8.098 1.00 0.00 C ATOM 49 O ASN A 4 4.172 -5.627 7.578 1.00 0.00 O ATOM 50 CB ASN A 4 6.246 -3.971 7.174 1.00 0.00 C ATOM 51 CG ASN A 4 6.837 -5.049 8.086 1.00 0.00 C ATOM 52 OD1 ASN A 4 6.750 -4.987 9.301 1.00 0.00 O ATOM 53 ND2 ASN A 4 7.440 -6.038 7.433 1.00 0.00 N ATOM 0 H ASN A 4 5.108 -3.174 9.865 1.00 0.00 H new ATOM 0 HA ASN A 4 4.532 -2.674 7.077 1.00 0.00 H new ATOM 0 HB2 ASN A 4 6.018 -4.400 6.198 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.981 -3.183 7.012 1.00 0.00 H new ATOM 0 HD21 ASN A 4 7.866 -6.806 7.951 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.477 -6.028 6.414 1.00 0.00 H new ATOM 60 N THR A 5 3.045 -4.225 8.948 1.00 0.00 N ATOM 61 CA THR A 5 1.930 -5.132 9.159 1.00 0.00 C ATOM 62 C THR A 5 0.608 -4.443 8.814 1.00 0.00 C ATOM 63 O THR A 5 0.547 -3.218 8.730 1.00 0.00 O ATOM 64 CB THR A 5 1.995 -5.633 10.603 1.00 0.00 C ATOM 65 OG1 THR A 5 1.946 -4.444 11.386 1.00 0.00 O ATOM 66 CG2 THR A 5 3.351 -6.251 10.948 1.00 0.00 C ATOM 0 H THR A 5 3.007 -3.368 9.499 1.00 0.00 H new ATOM 0 HA THR A 5 1.992 -5.995 8.497 1.00 0.00 H new ATOM 0 HB THR A 5 1.208 -6.370 10.767 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.981 -4.677 12.337 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.343 -6.590 11.984 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.543 -7.099 10.290 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.135 -5.505 10.816 1.00 0.00 H new ATOM 74 N PHE A 6 -0.416 -5.261 8.622 1.00 0.00 N ATOM 75 CA PHE A 6 -1.716 -4.751 8.220 1.00 0.00 C ATOM 76 C PHE A 6 -2.294 -3.820 9.287 1.00 0.00 C ATOM 77 O PHE A 6 -2.773 -2.732 8.973 1.00 0.00 O ATOM 78 CB PHE A 6 -2.640 -5.959 8.058 1.00 0.00 C ATOM 79 CG PHE A 6 -2.299 -6.848 6.860 1.00 0.00 C ATOM 80 CD1 PHE A 6 -2.527 -6.402 5.596 1.00 0.00 C ATOM 81 CD2 PHE A 6 -1.769 -8.084 7.060 1.00 0.00 C ATOM 82 CE1 PHE A 6 -2.210 -7.226 4.484 1.00 0.00 C ATOM 83 CE2 PHE A 6 -1.453 -8.909 5.948 1.00 0.00 C ATOM 84 CZ PHE A 6 -1.680 -8.463 4.684 1.00 0.00 C ATOM 0 H PHE A 6 -0.372 -6.274 8.737 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.623 -4.184 7.294 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.598 -6.560 8.967 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.667 -5.607 7.956 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.949 -5.421 5.438 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.588 -8.438 8.064 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.390 -6.871 3.480 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.032 -9.891 6.107 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.440 -9.091 3.839 1.00 0.00 H new ATOM 94 N ASP A 7 -2.231 -4.282 10.527 1.00 0.00 N ATOM 95 CA ASP A 7 -2.723 -3.496 11.645 1.00 0.00 C ATOM 96 C ASP A 7 -1.802 -2.294 11.863 1.00 0.00 C ATOM 97 O ASP A 7 -2.270 -1.190 12.136 1.00 0.00 O ATOM 98 CB ASP A 7 -2.738 -4.320 12.934 1.00 0.00 C ATOM 99 CG ASP A 7 -3.556 -5.611 12.867 1.00 0.00 C ATOM 100 OD1 ASP A 7 -3.091 -6.542 12.174 1.00 0.00 O ATOM 101 OD2 ASP A 7 -4.627 -5.638 13.511 1.00 0.00 O ATOM 0 H ASP A 7 -1.846 -5.192 10.782 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.738 -3.175 11.410 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.711 -4.572 13.198 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.132 -3.700 13.739 1.00 0.00 H new ATOM 106 N GLY A 8 -0.508 -2.549 11.733 1.00 0.00 N ATOM 107 CA GLY A 8 0.491 -1.564 12.110 1.00 0.00 C ATOM 108 C GLY A 8 0.418 -0.335 11.202 1.00 0.00 C ATOM 109 O GLY A 8 0.309 0.792 11.684 1.00 0.00 O ATOM 0 H GLY A 8 -0.129 -3.424 11.372 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.338 -1.264 13.147 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.485 -2.007 12.049 1.00 0.00 H new ATOM 113 N VAL A 9 0.482 -0.593 9.904 1.00 0.00 N ATOM 114 CA VAL A 9 0.449 0.480 8.925 1.00 0.00 C ATOM 115 C VAL A 9 -0.906 1.188 8.995 1.00 0.00 C ATOM 116 O VAL A 9 -0.976 2.412 8.908 1.00 0.00 O ATOM 117 CB VAL A 9 0.764 -0.071 7.533 1.00 0.00 C ATOM 118 CG1 VAL A 9 0.546 0.996 6.458 1.00 0.00 C ATOM 119 CG2 VAL A 9 2.188 -0.628 7.473 1.00 0.00 C ATOM 0 H VAL A 9 0.557 -1.530 9.508 1.00 0.00 H new ATOM 0 HA VAL A 9 1.216 1.222 9.147 1.00 0.00 H new ATOM 0 HB VAL A 9 0.075 -0.892 7.334 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.777 0.578 5.478 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.493 1.324 6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.199 1.847 6.652 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.386 -1.013 6.473 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.899 0.165 7.704 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.295 -1.433 8.200 1.00 0.00 H new ATOM 129 N ALA A 10 -1.949 0.385 9.152 1.00 0.00 N ATOM 130 CA ALA A 10 -3.298 0.919 9.233 1.00 0.00 C ATOM 131 C ALA A 10 -3.370 1.943 10.368 1.00 0.00 C ATOM 132 O ALA A 10 -3.972 3.004 10.214 1.00 0.00 O ATOM 133 CB ALA A 10 -4.291 -0.230 9.421 1.00 0.00 C ATOM 0 H ALA A 10 -1.887 -0.630 9.225 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.564 1.432 8.309 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.303 0.170 9.482 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.221 -0.913 8.575 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.057 -0.766 10.341 1.00 0.00 H new ATOM 139 N ASP A 11 -2.746 1.589 11.482 1.00 0.00 N ATOM 140 CA ASP A 11 -2.766 2.445 12.655 1.00 0.00 C ATOM 141 C ASP A 11 -1.987 3.729 12.357 1.00 0.00 C ATOM 142 O ASP A 11 -2.394 4.815 12.766 1.00 0.00 O ATOM 143 CB ASP A 11 -2.104 1.758 13.851 1.00 0.00 C ATOM 144 CG ASP A 11 -3.065 1.308 14.952 1.00 0.00 C ATOM 145 OD1 ASP A 11 -3.718 2.201 15.535 1.00 0.00 O ATOM 146 OD2 ASP A 11 -3.127 0.082 15.186 1.00 0.00 O ATOM 0 H ASP A 11 -2.223 0.721 11.597 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.807 2.663 12.895 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.554 0.888 13.492 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.373 2.441 14.284 1.00 0.00 H new ATOM 151 N TYR A 12 -0.882 3.561 11.647 1.00 0.00 N ATOM 152 CA TYR A 12 0.032 4.666 11.412 1.00 0.00 C ATOM 153 C TYR A 12 -0.585 5.694 10.461 1.00 0.00 C ATOM 154 O TYR A 12 -0.336 6.892 10.591 1.00 0.00 O ATOM 155 CB TYR A 12 1.270 4.056 10.751 1.00 0.00 C ATOM 156 CG TYR A 12 2.505 4.959 10.791 1.00 0.00 C ATOM 157 CD1 TYR A 12 3.371 4.896 11.864 1.00 0.00 C ATOM 158 CD2 TYR A 12 2.752 5.836 9.755 1.00 0.00 C ATOM 159 CE1 TYR A 12 4.533 5.746 11.902 1.00 0.00 C ATOM 160 CE2 TYR A 12 3.914 6.686 9.793 1.00 0.00 C ATOM 161 CZ TYR A 12 4.747 6.599 10.864 1.00 0.00 C ATOM 162 OH TYR A 12 5.845 7.401 10.900 1.00 0.00 O ATOM 0 H TYR A 12 -0.598 2.676 11.226 1.00 0.00 H new ATOM 0 HA TYR A 12 0.266 5.177 12.346 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.506 3.113 11.245 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.037 3.822 9.712 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.177 4.209 12.675 1.00 0.00 H new ATOM 0 HD2 TYR A 12 2.074 5.885 8.916 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.219 5.707 12.735 1.00 0.00 H new ATOM 0 HE2 TYR A 12 4.119 7.377 8.989 1.00 0.00 H new ATOM 0 HH TYR A 12 5.662 8.181 11.465 1.00 0.00 H new ATOM 172 N LEU A 13 -1.377 5.189 9.527 1.00 0.00 N ATOM 173 CA LEU A 13 -2.169 6.054 8.670 1.00 0.00 C ATOM 174 C LEU A 13 -3.057 6.950 9.536 1.00 0.00 C ATOM 175 O LEU A 13 -2.982 8.174 9.448 1.00 0.00 O ATOM 176 CB LEU A 13 -2.946 5.226 7.644 1.00 0.00 C ATOM 177 CG LEU A 13 -2.161 4.779 6.409 1.00 0.00 C ATOM 178 CD1 LEU A 13 -2.514 3.340 6.026 1.00 0.00 C ATOM 179 CD2 LEU A 13 -2.371 5.750 5.246 1.00 0.00 C ATOM 0 H LEU A 13 -1.487 4.191 9.345 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.521 6.712 8.090 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.336 4.339 8.143 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.805 5.809 7.312 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.099 4.795 6.654 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.942 3.047 5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.272 2.673 6.854 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.579 3.273 5.806 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.802 5.410 4.381 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.430 5.789 4.992 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.030 6.744 5.536 1.00 0.00 H new ATOM 191 N ILE A 14 -3.876 6.304 10.353 1.00 0.00 N ATOM 192 CA ILE A 14 -4.837 7.024 11.172 1.00 0.00 C ATOM 193 C ILE A 14 -4.103 8.078 12.004 1.00 0.00 C ATOM 194 O ILE A 14 -4.564 9.212 12.122 1.00 0.00 O ATOM 195 CB ILE A 14 -5.666 6.047 12.008 1.00 0.00 C ATOM 196 CG1 ILE A 14 -6.643 5.264 11.128 1.00 0.00 C ATOM 197 CG2 ILE A 14 -6.379 6.773 13.151 1.00 0.00 C ATOM 198 CD1 ILE A 14 -7.899 6.088 10.835 1.00 0.00 C ATOM 0 H ILE A 14 -3.894 5.290 10.465 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.552 7.555 10.544 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.988 5.322 12.459 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.156 4.991 10.192 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.921 4.335 11.625 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.961 6.056 13.730 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.641 7.247 13.798 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -7.044 7.533 12.741 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.576 5.508 10.208 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.397 6.338 11.772 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.620 7.005 10.316 1.00 0.00 H new ATOM 210 N ARG A 15 -2.974 7.665 12.561 1.00 0.00 N ATOM 211 CA ARG A 15 -2.301 8.465 13.569 1.00 0.00 C ATOM 212 C ARG A 15 -1.649 9.691 12.926 1.00 0.00 C ATOM 213 O ARG A 15 -2.020 10.825 13.227 1.00 0.00 O ATOM 214 CB ARG A 15 -1.229 7.649 14.295 1.00 0.00 C ATOM 215 CG ARG A 15 -1.141 8.048 15.769 1.00 0.00 C ATOM 216 CD ARG A 15 -0.025 7.279 16.480 1.00 0.00 C ATOM 217 NE ARG A 15 -0.236 7.317 17.944 1.00 0.00 N ATOM 218 CZ ARG A 15 0.168 8.319 18.736 1.00 0.00 C ATOM 219 NH1 ARG A 15 0.670 9.439 18.197 1.00 0.00 N ATOM 220 NH2 ARG A 15 0.072 8.202 20.067 1.00 0.00 N ATOM 0 H ARG A 15 -2.509 6.786 12.333 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.051 8.785 14.293 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.459 6.587 14.215 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.263 7.802 13.815 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.957 9.119 15.849 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.094 7.850 16.260 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.007 6.246 16.134 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.943 7.715 16.233 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.720 6.531 18.378 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.744 9.528 17.184 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.978 10.202 18.800 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.309 7.350 20.478 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.380 8.965 20.670 1.00 0.00 H new ATOM 234 N TYR A 16 -0.690 9.422 12.053 1.00 0.00 N ATOM 235 CA TYR A 16 0.158 10.477 11.524 1.00 0.00 C ATOM 236 C TYR A 16 -0.447 11.084 10.257 1.00 0.00 C ATOM 237 O TYR A 16 0.007 12.125 9.785 1.00 0.00 O ATOM 238 CB TYR A 16 1.489 9.811 11.171 1.00 0.00 C ATOM 239 CG TYR A 16 2.445 9.664 12.357 1.00 0.00 C ATOM 240 CD1 TYR A 16 1.955 9.697 13.647 1.00 0.00 C ATOM 241 CD2 TYR A 16 3.798 9.500 12.137 1.00 0.00 C ATOM 242 CE1 TYR A 16 2.855 9.559 14.762 1.00 0.00 C ATOM 243 CE2 TYR A 16 4.698 9.362 13.252 1.00 0.00 C ATOM 244 CZ TYR A 16 4.182 9.398 14.510 1.00 0.00 C ATOM 245 OH TYR A 16 5.032 9.268 15.564 1.00 0.00 O ATOM 0 H TYR A 16 -0.481 8.489 11.698 1.00 0.00 H new ATOM 0 HA TYR A 16 0.272 11.279 12.253 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.290 8.824 10.753 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.980 10.394 10.392 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.897 9.826 13.820 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.181 9.475 11.128 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.485 9.583 15.776 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.758 9.233 13.093 1.00 0.00 H new ATOM 0 HH TYR A 16 5.948 9.159 15.234 1.00 0.00 H new ATOM 255 N LYS A 17 -1.462 10.406 9.741 1.00 0.00 N ATOM 256 CA LYS A 17 -2.141 10.871 8.544 1.00 0.00 C ATOM 257 C LYS A 17 -1.202 10.735 7.344 1.00 0.00 C ATOM 258 O LYS A 17 -1.178 11.599 6.469 1.00 0.00 O ATOM 259 CB LYS A 17 -2.676 12.290 8.748 1.00 0.00 C ATOM 260 CG LYS A 17 -3.846 12.577 7.804 1.00 0.00 C ATOM 261 CD LYS A 17 -4.454 13.952 8.086 1.00 0.00 C ATOM 262 CE LYS A 17 -5.437 13.888 9.256 1.00 0.00 C ATOM 263 NZ LYS A 17 -6.058 15.211 9.485 1.00 0.00 N ATOM 0 H LYS A 17 -1.830 9.538 10.130 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.014 10.252 8.338 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.999 12.415 9.781 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.878 13.012 8.574 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.503 12.532 6.770 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.609 11.807 7.920 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.661 14.665 8.312 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.966 14.316 7.196 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.210 13.148 9.049 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.918 13.563 10.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.722 15.149 10.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.318 15.909 9.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.571 15.507 8.630 1.00 0.00 H new ATOM 277 N ARG A 18 -0.450 9.644 7.342 1.00 0.00 N ATOM 278 CA ARG A 18 0.374 9.305 6.195 1.00 0.00 C ATOM 279 C ARG A 18 0.922 7.883 6.337 1.00 0.00 C ATOM 280 O ARG A 18 0.756 7.252 7.379 1.00 0.00 O ATOM 281 CB ARG A 18 1.541 10.282 6.047 1.00 0.00 C ATOM 282 CG ARG A 18 2.229 10.523 7.392 1.00 0.00 C ATOM 283 CD ARG A 18 3.505 11.349 7.216 1.00 0.00 C ATOM 284 NE ARG A 18 4.192 11.503 8.518 1.00 0.00 N ATOM 285 CZ ARG A 18 3.815 12.370 9.468 1.00 0.00 C ATOM 286 NH1 ARG A 18 2.753 13.162 9.269 1.00 0.00 N ATOM 287 NH2 ARG A 18 4.501 12.444 10.617 1.00 0.00 N ATOM 0 H ARG A 18 -0.394 8.983 8.117 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.253 9.369 5.306 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.262 9.887 5.331 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.179 11.228 5.645 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.546 11.041 8.066 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.472 9.567 7.857 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.168 10.861 6.501 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.260 12.329 6.807 1.00 0.00 H new ATOM 0 HE ARG A 18 5.003 10.913 8.704 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.231 13.105 8.394 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.466 13.822 9.992 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.309 11.841 10.768 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.215 13.104 11.340 1.00 0.00 H new ATOM 301 N LEU A 19 1.564 7.422 5.274 1.00 0.00 N ATOM 302 CA LEU A 19 2.305 6.174 5.330 1.00 0.00 C ATOM 303 C LEU A 19 3.575 6.376 6.160 1.00 0.00 C ATOM 304 O LEU A 19 3.977 7.509 6.419 1.00 0.00 O ATOM 305 CB LEU A 19 2.571 5.644 3.920 1.00 0.00 C ATOM 306 CG LEU A 19 1.376 5.006 3.207 1.00 0.00 C ATOM 307 CD1 LEU A 19 1.721 4.666 1.756 1.00 0.00 C ATOM 308 CD2 LEU A 19 0.867 3.785 3.976 1.00 0.00 C ATOM 0 H LEU A 19 1.586 7.891 4.368 1.00 0.00 H new ATOM 0 HA LEU A 19 1.716 5.404 5.829 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.938 6.467 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.372 4.907 3.975 1.00 0.00 H new ATOM 0 HG LEU A 19 0.564 5.733 3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.855 4.214 1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.999 5.577 1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.555 3.965 1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.018 3.351 3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.664 3.045 4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.556 4.088 4.976 1.00 0.00 H new ATOM 320 N PRO A 20 4.187 5.231 6.564 1.00 0.00 N ATOM 321 CA PRO A 20 5.554 5.246 7.056 1.00 0.00 C ATOM 322 C PRO A 20 6.549 5.413 5.907 1.00 0.00 C ATOM 323 O PRO A 20 6.185 5.272 4.740 1.00 0.00 O ATOM 324 CB PRO A 20 5.719 3.930 7.798 1.00 0.00 C ATOM 325 CG PRO A 20 4.601 3.028 7.302 1.00 0.00 C ATOM 326 CD PRO A 20 3.596 3.896 6.562 1.00 0.00 C ATOM 0 HA PRO A 20 5.754 6.089 7.717 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.695 3.488 7.597 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.652 4.078 8.876 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.997 2.256 6.642 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.122 2.518 8.138 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.434 3.536 5.546 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.626 3.891 7.060 1.00 0.00 H new ATOM 334 N ASP A 21 7.786 5.712 6.276 1.00 0.00 N ATOM 335 CA ASP A 21 8.767 6.167 5.306 1.00 0.00 C ATOM 336 C ASP A 21 9.509 4.959 4.732 1.00 0.00 C ATOM 337 O ASP A 21 10.441 5.115 3.945 1.00 0.00 O ATOM 338 CB ASP A 21 9.799 7.090 5.957 1.00 0.00 C ATOM 339 CG ASP A 21 10.825 7.693 4.996 1.00 0.00 C ATOM 340 OD1 ASP A 21 10.424 8.597 4.231 1.00 0.00 O ATOM 341 OD2 ASP A 21 11.988 7.237 5.048 1.00 0.00 O ATOM 0 H ASP A 21 8.131 5.648 7.234 1.00 0.00 H new ATOM 0 HA ASP A 21 8.239 6.712 4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.273 7.902 6.459 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.330 6.530 6.727 1.00 0.00 H new ATOM 346 N ASN A 22 9.068 3.781 5.149 1.00 0.00 N ATOM 347 CA ASN A 22 9.659 2.546 4.663 1.00 0.00 C ATOM 348 C ASN A 22 9.064 2.204 3.296 1.00 0.00 C ATOM 349 O ASN A 22 9.490 1.246 2.652 1.00 0.00 O ATOM 350 CB ASN A 22 9.363 1.383 5.612 1.00 0.00 C ATOM 351 CG ASN A 22 7.861 1.100 5.680 1.00 0.00 C ATOM 352 OD1 ASN A 22 7.030 1.945 5.390 1.00 0.00 O ATOM 353 ND2 ASN A 22 7.560 -0.133 6.077 1.00 0.00 N ATOM 0 H ASN A 22 8.308 3.656 5.818 1.00 0.00 H new ATOM 0 HA ASN A 22 10.737 2.692 4.596 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.890 0.490 5.275 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.738 1.617 6.608 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.584 -0.420 6.154 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.305 -0.792 6.305 1.00 0.00 H new ATOM 360 N TYR A 23 8.090 3.006 2.893 1.00 0.00 N ATOM 361 CA TYR A 23 7.509 2.870 1.568 1.00 0.00 C ATOM 362 C TYR A 23 7.862 4.072 0.689 1.00 0.00 C ATOM 363 O TYR A 23 7.515 5.207 1.014 1.00 0.00 O ATOM 364 CB TYR A 23 5.994 2.832 1.773 1.00 0.00 C ATOM 365 CG TYR A 23 5.513 1.670 2.646 1.00 0.00 C ATOM 366 CD1 TYR A 23 6.208 0.478 2.651 1.00 0.00 C ATOM 367 CD2 TYR A 23 4.385 1.815 3.427 1.00 0.00 C ATOM 368 CE1 TYR A 23 5.756 -0.615 3.472 1.00 0.00 C ATOM 369 CE2 TYR A 23 3.933 0.722 4.249 1.00 0.00 C ATOM 370 CZ TYR A 23 4.641 -0.439 4.230 1.00 0.00 C ATOM 371 OH TYR A 23 4.214 -1.472 5.006 1.00 0.00 O ATOM 0 H TYR A 23 7.688 3.752 3.460 1.00 0.00 H new ATOM 0 HA TYR A 23 7.886 1.975 1.074 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.675 3.770 2.227 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.507 2.768 0.800 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.091 0.365 2.039 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.841 2.748 3.422 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.290 -1.553 3.485 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.052 0.822 4.866 1.00 0.00 H new ATOM 0 HH TYR A 23 3.682 -2.091 4.463 1.00 0.00 H new ATOM 381 N ILE A 24 8.547 3.782 -0.407 1.00 0.00 N ATOM 382 CA ILE A 24 8.710 4.761 -1.469 1.00 0.00 C ATOM 383 C ILE A 24 7.799 4.392 -2.641 1.00 0.00 C ATOM 384 O ILE A 24 7.253 3.291 -2.685 1.00 0.00 O ATOM 385 CB ILE A 24 10.185 4.893 -1.854 1.00 0.00 C ATOM 386 CG1 ILE A 24 10.744 3.558 -2.350 1.00 0.00 C ATOM 387 CG2 ILE A 24 11.005 5.464 -0.696 1.00 0.00 C ATOM 388 CD1 ILE A 24 12.092 3.753 -3.046 1.00 0.00 C ATOM 0 H ILE A 24 8.996 2.883 -0.583 1.00 0.00 H new ATOM 0 HA ILE A 24 8.404 5.750 -1.126 1.00 0.00 H new ATOM 0 HB ILE A 24 10.260 5.600 -2.680 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.860 2.874 -1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.037 3.098 -3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.050 5.547 -0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.624 6.450 -0.432 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.927 4.802 0.166 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.467 2.789 -3.389 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.968 4.419 -3.900 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.803 4.191 -2.346 1.00 0.00 H new ATOM 400 N THR A 25 7.663 5.334 -3.563 1.00 0.00 N ATOM 401 CA THR A 25 6.744 5.165 -4.675 1.00 0.00 C ATOM 402 C THR A 25 7.390 4.325 -5.778 1.00 0.00 C ATOM 403 O THR A 25 8.609 4.158 -5.803 1.00 0.00 O ATOM 404 CB THR A 25 6.311 6.555 -5.146 1.00 0.00 C ATOM 405 OG1 THR A 25 7.442 7.380 -4.881 1.00 0.00 O ATOM 406 CG2 THR A 25 5.204 7.151 -4.273 1.00 0.00 C ATOM 0 H THR A 25 8.174 6.217 -3.562 1.00 0.00 H new ATOM 0 HA THR A 25 5.853 4.616 -4.371 1.00 0.00 H new ATOM 0 HB THR A 25 5.968 6.497 -6.179 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.248 8.300 -5.158 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.934 8.137 -4.651 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.330 6.501 -4.300 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.559 7.240 -3.246 1.00 0.00 H new ATOM 414 N LYS A 26 6.545 3.817 -6.663 1.00 0.00 N ATOM 415 CA LYS A 26 7.024 3.056 -7.804 1.00 0.00 C ATOM 416 C LYS A 26 8.029 3.901 -8.590 1.00 0.00 C ATOM 417 O LYS A 26 9.108 3.424 -8.938 1.00 0.00 O ATOM 418 CB LYS A 26 5.849 2.556 -8.647 1.00 0.00 C ATOM 419 CG LYS A 26 5.009 1.541 -7.869 1.00 0.00 C ATOM 420 CD LYS A 26 3.625 1.377 -8.499 1.00 0.00 C ATOM 421 CE LYS A 26 2.715 0.526 -7.611 1.00 0.00 C ATOM 422 NZ LYS A 26 1.319 0.578 -8.098 1.00 0.00 N ATOM 0 H LYS A 26 5.531 3.918 -6.613 1.00 0.00 H new ATOM 0 HA LYS A 26 7.550 2.162 -7.471 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.225 3.399 -8.943 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.223 2.098 -9.563 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.520 0.579 -7.850 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.905 1.867 -6.834 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.174 2.357 -8.654 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.721 0.911 -9.480 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.066 -0.506 -7.604 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.761 0.885 -6.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.682 0.201 -7.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.061 1.563 -8.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.231 0.006 -8.962 1.00 0.00 H new ATOM 436 N SER A 27 7.638 5.141 -8.846 1.00 0.00 N ATOM 437 CA SER A 27 8.447 6.026 -9.667 1.00 0.00 C ATOM 438 C SER A 27 9.833 6.197 -9.042 1.00 0.00 C ATOM 439 O SER A 27 10.818 6.394 -9.753 1.00 0.00 O ATOM 440 CB SER A 27 7.771 7.387 -9.840 1.00 0.00 C ATOM 441 OG SER A 27 6.453 7.265 -10.367 1.00 0.00 O ATOM 0 H SER A 27 6.772 5.554 -8.499 1.00 0.00 H new ATOM 0 HA SER A 27 8.553 5.576 -10.654 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.731 7.897 -8.877 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.371 8.008 -10.505 1.00 0.00 H new ATOM 0 HG SER A 27 6.055 8.155 -10.461 1.00 0.00 H new ATOM 447 N GLN A 28 9.866 6.117 -7.720 1.00 0.00 N ATOM 448 CA GLN A 28 11.114 6.269 -6.991 1.00 0.00 C ATOM 449 C GLN A 28 12.012 5.051 -7.217 1.00 0.00 C ATOM 450 O GLN A 28 13.132 5.183 -7.708 1.00 0.00 O ATOM 451 CB GLN A 28 10.855 6.490 -5.500 1.00 0.00 C ATOM 452 CG GLN A 28 11.696 7.650 -4.963 1.00 0.00 C ATOM 453 CD GLN A 28 11.387 7.915 -3.488 1.00 0.00 C ATOM 454 OE1 GLN A 28 12.192 7.668 -2.605 1.00 0.00 O ATOM 455 NE2 GLN A 28 10.180 8.430 -3.273 1.00 0.00 N ATOM 0 H GLN A 28 9.048 5.949 -7.134 1.00 0.00 H new ATOM 0 HA GLN A 28 11.629 7.151 -7.371 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.797 6.698 -5.338 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.090 5.580 -4.948 1.00 0.00 H new ATOM 0 HG2 GLN A 28 12.755 7.421 -5.081 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.497 8.549 -5.547 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.556 8.612 -4.059 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.878 8.643 -2.322 1.00 0.00 H new ATOM 464 N ALA A 29 11.486 3.892 -6.848 1.00 0.00 N ATOM 465 CA ALA A 29 12.208 2.646 -7.045 1.00 0.00 C ATOM 466 C ALA A 29 12.740 2.591 -8.478 1.00 0.00 C ATOM 467 O ALA A 29 13.888 2.213 -8.704 1.00 0.00 O ATOM 468 CB ALA A 29 11.290 1.467 -6.717 1.00 0.00 C ATOM 0 H ALA A 29 10.569 3.789 -6.414 1.00 0.00 H new ATOM 0 HA ALA A 29 13.065 2.588 -6.374 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.831 0.532 -6.865 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.964 1.537 -5.679 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.420 1.490 -7.373 1.00 0.00 H new ATOM 474 N SER A 30 11.879 2.974 -9.410 1.00 0.00 N ATOM 475 CA SER A 30 12.191 2.831 -10.822 1.00 0.00 C ATOM 476 C SER A 30 13.355 3.752 -11.196 1.00 0.00 C ATOM 477 O SER A 30 14.230 3.368 -11.970 1.00 0.00 O ATOM 478 CB SER A 30 10.970 3.140 -11.690 1.00 0.00 C ATOM 479 OG SER A 30 10.285 1.956 -12.088 1.00 0.00 O ATOM 0 H SER A 30 10.965 3.383 -9.215 1.00 0.00 H new ATOM 0 HA SER A 30 12.481 1.796 -11.005 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.287 3.786 -11.138 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.285 3.692 -12.576 1.00 0.00 H new ATOM 0 HG SER A 30 10.262 1.324 -11.339 1.00 0.00 H new ATOM 485 N ALA A 31 13.327 4.949 -10.629 1.00 0.00 N ATOM 486 CA ALA A 31 14.380 5.919 -10.876 1.00 0.00 C ATOM 487 C ALA A 31 15.713 5.356 -10.379 1.00 0.00 C ATOM 488 O ALA A 31 16.754 5.584 -10.992 1.00 0.00 O ATOM 489 CB ALA A 31 14.020 7.245 -10.203 1.00 0.00 C ATOM 0 H ALA A 31 12.591 5.269 -9.999 1.00 0.00 H new ATOM 0 HA ALA A 31 14.482 6.112 -11.944 1.00 0.00 H new ATOM 0 HB1 ALA A 31 14.810 7.973 -10.388 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.080 7.617 -10.612 1.00 0.00 H new ATOM 0 HB3 ALA A 31 13.913 7.091 -9.129 1.00 0.00 H new ATOM 495 N LEU A 32 15.637 4.631 -9.272 1.00 0.00 N ATOM 496 CA LEU A 32 16.826 4.044 -8.679 1.00 0.00 C ATOM 497 C LEU A 32 17.290 2.865 -9.537 1.00 0.00 C ATOM 498 O LEU A 32 18.438 2.434 -9.438 1.00 0.00 O ATOM 499 CB LEU A 32 16.570 3.676 -7.216 1.00 0.00 C ATOM 500 CG LEU A 32 16.273 4.844 -6.273 1.00 0.00 C ATOM 501 CD1 LEU A 32 15.680 4.346 -4.954 1.00 0.00 C ATOM 502 CD2 LEU A 32 17.521 5.702 -6.053 1.00 0.00 C ATOM 0 H LEU A 32 14.770 4.437 -8.771 1.00 0.00 H new ATOM 0 HA LEU A 32 17.641 4.768 -8.664 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.731 2.982 -7.178 1.00 0.00 H new ATOM 0 HB3 LEU A 32 17.442 3.142 -6.838 1.00 0.00 H new ATOM 0 HG LEU A 32 15.523 5.481 -6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.478 5.196 -4.302 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.751 3.812 -5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.388 3.675 -4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.283 6.525 -5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.310 5.091 -5.615 1.00 0.00 H new ATOM 0 HD23 LEU A 32 17.861 6.102 -7.008 1.00 0.00 H new ATOM 514 N GLY A 33 16.374 2.377 -10.360 1.00 0.00 N ATOM 515 CA GLY A 33 16.738 1.455 -11.423 1.00 0.00 C ATOM 516 C GLY A 33 16.110 0.079 -11.194 1.00 0.00 C ATOM 517 O GLY A 33 16.493 -0.897 -11.836 1.00 0.00 O ATOM 0 H GLY A 33 15.380 2.602 -10.313 1.00 0.00 H new ATOM 0 HA2 GLY A 33 16.410 1.853 -12.383 1.00 0.00 H new ATOM 0 HA3 GLY A 33 17.823 1.360 -11.471 1.00 0.00 H new ATOM 521 N TRP A 34 15.155 0.045 -10.276 1.00 0.00 N ATOM 522 CA TRP A 34 14.306 -1.124 -10.122 1.00 0.00 C ATOM 523 C TRP A 34 13.533 -1.322 -11.428 1.00 0.00 C ATOM 524 O TRP A 34 13.130 -0.352 -12.068 1.00 0.00 O ATOM 525 CB TRP A 34 13.392 -0.982 -8.903 1.00 0.00 C ATOM 526 CG TRP A 34 12.193 -1.931 -8.910 1.00 0.00 C ATOM 527 CD1 TRP A 34 12.191 -3.261 -8.738 1.00 0.00 C ATOM 528 CD2 TRP A 34 10.810 -1.568 -9.106 1.00 0.00 C ATOM 529 NE1 TRP A 34 10.914 -3.778 -8.809 1.00 0.00 N ATOM 530 CE2 TRP A 34 10.047 -2.717 -9.040 1.00 0.00 C ATOM 531 CE3 TRP A 34 10.222 -0.311 -9.331 1.00 0.00 C ATOM 532 CZ2 TRP A 34 8.655 -2.722 -9.189 1.00 0.00 C ATOM 533 CZ3 TRP A 34 8.830 -0.333 -9.478 1.00 0.00 C ATOM 534 CH2 TRP A 34 8.048 -1.481 -9.415 1.00 0.00 C ATOM 0 H TRP A 34 14.950 0.808 -9.631 1.00 0.00 H new ATOM 0 HA TRP A 34 14.906 -2.014 -9.933 1.00 0.00 H new ATOM 0 HB2 TRP A 34 13.977 -1.159 -8.001 1.00 0.00 H new ATOM 0 HB3 TRP A 34 13.029 0.045 -8.851 1.00 0.00 H new ATOM 0 HD1 TRP A 34 13.078 -3.853 -8.566 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.654 -4.759 -8.710 1.00 0.00 H new ATOM 0 HE3 TRP A 34 10.799 0.600 -9.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 8.080 -3.635 -9.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 8.328 0.607 -9.653 1.00 0.00 H new ATOM 0 HH2 TRP A 34 6.977 -1.416 -9.540 1.00 0.00 H new ATOM 545 N VAL A 35 13.350 -2.585 -11.784 1.00 0.00 N ATOM 546 CA VAL A 35 12.479 -2.931 -12.895 1.00 0.00 C ATOM 547 C VAL A 35 11.378 -3.871 -12.401 1.00 0.00 C ATOM 548 O VAL A 35 11.635 -4.764 -11.594 1.00 0.00 O ATOM 549 CB VAL A 35 13.303 -3.523 -14.040 1.00 0.00 C ATOM 550 CG1 VAL A 35 12.427 -3.783 -15.268 1.00 0.00 C ATOM 551 CG2 VAL A 35 14.485 -2.618 -14.391 1.00 0.00 C ATOM 0 H VAL A 35 13.790 -3.381 -11.323 1.00 0.00 H new ATOM 0 HA VAL A 35 11.991 -2.040 -13.290 1.00 0.00 H new ATOM 0 HB VAL A 35 13.703 -4.480 -13.705 1.00 0.00 H new ATOM 0 HG11 VAL A 35 13.037 -4.204 -16.067 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.635 -4.485 -15.008 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.984 -2.845 -15.604 1.00 0.00 H new ATOM 0 HG21 VAL A 35 15.054 -3.063 -15.208 1.00 0.00 H new ATOM 0 HG22 VAL A 35 14.116 -1.639 -14.697 1.00 0.00 H new ATOM 0 HG23 VAL A 35 15.129 -2.506 -13.519 1.00 0.00 H new ATOM 561 N ALA A 36 10.175 -3.639 -12.905 1.00 0.00 N ATOM 562 CA ALA A 36 8.995 -4.280 -12.352 1.00 0.00 C ATOM 563 C ALA A 36 8.767 -5.617 -13.061 1.00 0.00 C ATOM 564 O ALA A 36 7.677 -5.877 -13.568 1.00 0.00 O ATOM 565 CB ALA A 36 7.795 -3.340 -12.481 1.00 0.00 C ATOM 0 H ALA A 36 9.992 -3.015 -13.691 1.00 0.00 H new ATOM 0 HA ALA A 36 9.133 -4.488 -11.291 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.909 -3.821 -12.066 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.995 -2.417 -11.936 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.624 -3.111 -13.533 1.00 0.00 H new ATOM 571 N SER A 37 9.814 -6.430 -13.073 1.00 0.00 N ATOM 572 CA SER A 37 9.748 -7.725 -13.729 1.00 0.00 C ATOM 573 C SER A 37 11.060 -8.484 -13.520 1.00 0.00 C ATOM 574 O SER A 37 11.050 -9.651 -13.131 1.00 0.00 O ATOM 575 CB SER A 37 9.456 -7.572 -15.223 1.00 0.00 C ATOM 576 OG SER A 37 10.188 -6.495 -15.802 1.00 0.00 O ATOM 0 H SER A 37 10.712 -6.217 -12.639 1.00 0.00 H new ATOM 0 HA SER A 37 8.931 -8.293 -13.283 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.707 -8.499 -15.738 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.389 -7.405 -15.369 1.00 0.00 H new ATOM 0 HG SER A 37 9.976 -6.431 -16.757 1.00 0.00 H new ATOM 582 N LYS A 38 12.157 -7.791 -13.786 1.00 0.00 N ATOM 583 CA LYS A 38 13.475 -8.352 -13.539 1.00 0.00 C ATOM 584 C LYS A 38 14.130 -7.608 -12.374 1.00 0.00 C ATOM 585 O LYS A 38 13.932 -6.405 -12.211 1.00 0.00 O ATOM 586 CB LYS A 38 14.309 -8.344 -14.821 1.00 0.00 C ATOM 587 CG LYS A 38 13.637 -9.172 -15.918 1.00 0.00 C ATOM 588 CD LYS A 38 12.992 -8.267 -16.970 1.00 0.00 C ATOM 589 CE LYS A 38 12.182 -9.087 -17.976 1.00 0.00 C ATOM 590 NZ LYS A 38 11.519 -8.197 -18.955 1.00 0.00 N ATOM 0 H LYS A 38 12.161 -6.846 -14.170 1.00 0.00 H new ATOM 0 HA LYS A 38 13.395 -9.399 -13.245 1.00 0.00 H new ATOM 0 HB2 LYS A 38 14.443 -7.319 -15.165 1.00 0.00 H new ATOM 0 HB3 LYS A 38 15.302 -8.744 -14.616 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.374 -9.820 -16.393 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.880 -9.820 -15.477 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.343 -7.540 -16.481 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.765 -7.703 -17.493 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.837 -9.786 -18.496 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.434 -9.682 -17.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.973 -8.769 -19.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.879 -7.547 -18.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.238 -7.648 -19.468 1.00 0.00 H new ATOM 604 N GLY A 39 14.898 -8.354 -11.594 1.00 0.00 N ATOM 605 CA GLY A 39 15.612 -7.773 -10.470 1.00 0.00 C ATOM 606 C GLY A 39 14.665 -7.503 -9.299 1.00 0.00 C ATOM 607 O GLY A 39 13.580 -6.955 -9.487 1.00 0.00 O ATOM 0 H GLY A 39 15.041 -9.356 -11.718 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.407 -8.448 -10.152 1.00 0.00 H new ATOM 0 HA3 GLY A 39 16.088 -6.843 -10.779 1.00 0.00 H new ATOM 611 N ASN A 40 15.110 -7.899 -8.115 1.00 0.00 N ATOM 612 CA ASN A 40 14.300 -7.739 -6.919 1.00 0.00 C ATOM 613 C ASN A 40 14.479 -6.321 -6.373 1.00 0.00 C ATOM 614 O ASN A 40 15.413 -5.618 -6.756 1.00 0.00 O ATOM 615 CB ASN A 40 14.728 -8.723 -5.829 1.00 0.00 C ATOM 616 CG ASN A 40 16.178 -8.476 -5.406 1.00 0.00 C ATOM 617 OD1 ASN A 40 17.115 -8.674 -6.162 1.00 0.00 O ATOM 618 ND2 ASN A 40 16.309 -8.035 -4.158 1.00 0.00 N ATOM 0 H ASN A 40 16.021 -8.330 -7.959 1.00 0.00 H new ATOM 0 HA ASN A 40 13.261 -7.928 -7.188 1.00 0.00 H new ATOM 0 HB2 ASN A 40 14.071 -8.622 -4.965 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.621 -9.745 -6.194 1.00 0.00 H new ATOM 0 HD21 ASN A 40 17.236 -7.841 -3.780 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.482 -7.891 -3.579 1.00 0.00 H new ATOM 625 N LEU A 41 13.569 -5.943 -5.487 1.00 0.00 N ATOM 626 CA LEU A 41 13.475 -4.559 -5.056 1.00 0.00 C ATOM 627 C LEU A 41 14.653 -4.235 -4.135 1.00 0.00 C ATOM 628 O LEU A 41 15.421 -3.313 -4.405 1.00 0.00 O ATOM 629 CB LEU A 41 12.108 -4.287 -4.425 1.00 0.00 C ATOM 630 CG LEU A 41 11.705 -2.816 -4.305 1.00 0.00 C ATOM 631 CD1 LEU A 41 11.626 -2.155 -5.682 1.00 0.00 C ATOM 632 CD2 LEU A 41 10.399 -2.667 -3.521 1.00 0.00 C ATOM 0 H LEU A 41 12.891 -6.571 -5.056 1.00 0.00 H new ATOM 0 HA LEU A 41 13.545 -3.887 -5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.349 -4.804 -5.013 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.096 -4.729 -3.429 1.00 0.00 H new ATOM 0 HG LEU A 41 12.479 -2.295 -3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.338 -1.110 -5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.599 -2.212 -6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.885 -2.672 -6.292 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.135 -1.612 -3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.603 -3.206 -4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.527 -3.077 -2.519 1.00 0.00 H new ATOM 644 N ALA A 42 14.758 -5.011 -3.066 1.00 0.00 N ATOM 645 CA ALA A 42 15.660 -4.670 -1.979 1.00 0.00 C ATOM 646 C ALA A 42 17.055 -4.396 -2.547 1.00 0.00 C ATOM 647 O ALA A 42 17.810 -3.600 -1.991 1.00 0.00 O ATOM 648 CB ALA A 42 15.663 -5.797 -0.945 1.00 0.00 C ATOM 0 H ALA A 42 14.233 -5.875 -2.930 1.00 0.00 H new ATOM 0 HA ALA A 42 15.326 -3.764 -1.473 1.00 0.00 H new ATOM 0 HB1 ALA A 42 16.340 -5.541 -0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.656 -5.932 -0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.996 -6.722 -1.416 1.00 0.00 H new ATOM 654 N GLU A 43 17.354 -5.071 -3.647 1.00 0.00 N ATOM 655 CA GLU A 43 18.655 -4.933 -4.279 1.00 0.00 C ATOM 656 C GLU A 43 18.937 -3.463 -4.596 1.00 0.00 C ATOM 657 O GLU A 43 19.986 -2.935 -4.228 1.00 0.00 O ATOM 658 CB GLU A 43 18.746 -5.793 -5.541 1.00 0.00 C ATOM 659 CG GLU A 43 20.110 -5.635 -6.215 1.00 0.00 C ATOM 660 CD GLU A 43 21.238 -6.080 -5.282 1.00 0.00 C ATOM 661 OE1 GLU A 43 21.280 -7.293 -4.980 1.00 0.00 O ATOM 662 OE2 GLU A 43 22.032 -5.198 -4.891 1.00 0.00 O ATOM 0 H GLU A 43 16.718 -5.715 -4.117 1.00 0.00 H new ATOM 0 HA GLU A 43 19.415 -5.287 -3.583 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.582 -6.840 -5.285 1.00 0.00 H new ATOM 0 HB3 GLU A 43 17.957 -5.508 -6.237 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.137 -6.225 -7.131 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.260 -4.594 -6.501 1.00 0.00 H new ATOM 669 N VAL A 44 17.983 -2.843 -5.275 1.00 0.00 N ATOM 670 CA VAL A 44 18.212 -1.533 -5.861 1.00 0.00 C ATOM 671 C VAL A 44 17.775 -0.453 -4.869 1.00 0.00 C ATOM 672 O VAL A 44 18.382 0.614 -4.801 1.00 0.00 O ATOM 673 CB VAL A 44 17.497 -1.431 -7.210 1.00 0.00 C ATOM 674 CG1 VAL A 44 17.698 -0.049 -7.833 1.00 0.00 C ATOM 675 CG2 VAL A 44 17.962 -2.535 -8.161 1.00 0.00 C ATOM 0 H VAL A 44 17.050 -3.223 -5.432 1.00 0.00 H new ATOM 0 HA VAL A 44 19.273 -1.383 -6.059 1.00 0.00 H new ATOM 0 HB VAL A 44 16.430 -1.567 -7.036 1.00 0.00 H new ATOM 0 HG11 VAL A 44 17.180 -0.003 -8.791 1.00 0.00 H new ATOM 0 HG12 VAL A 44 17.295 0.713 -7.166 1.00 0.00 H new ATOM 0 HG13 VAL A 44 18.762 0.129 -7.987 1.00 0.00 H new ATOM 0 HG21 VAL A 44 17.439 -2.440 -9.112 1.00 0.00 H new ATOM 0 HG22 VAL A 44 19.035 -2.444 -8.327 1.00 0.00 H new ATOM 0 HG23 VAL A 44 17.744 -3.509 -7.723 1.00 0.00 H new ATOM 685 N ALA A 45 16.725 -0.768 -4.125 1.00 0.00 N ATOM 686 CA ALA A 45 16.229 0.144 -3.108 1.00 0.00 C ATOM 687 C ALA A 45 16.015 -0.624 -1.802 1.00 0.00 C ATOM 688 O ALA A 45 14.914 -1.100 -1.530 1.00 0.00 O ATOM 689 CB ALA A 45 14.947 0.815 -3.605 1.00 0.00 C ATOM 0 H ALA A 45 16.204 -1.641 -4.206 1.00 0.00 H new ATOM 0 HA ALA A 45 16.956 0.933 -2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.575 1.499 -2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.158 1.371 -4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.193 0.054 -3.809 1.00 0.00 H new ATOM 695 N PRO A 46 17.114 -0.724 -1.007 1.00 0.00 N ATOM 696 CA PRO A 46 17.089 -1.518 0.209 1.00 0.00 C ATOM 697 C PRO A 46 16.311 -0.801 1.315 1.00 0.00 C ATOM 698 O PRO A 46 16.226 0.426 1.325 1.00 0.00 O ATOM 699 CB PRO A 46 18.550 -1.744 0.562 1.00 0.00 C ATOM 700 CG PRO A 46 19.332 -0.687 -0.201 1.00 0.00 C ATOM 701 CD PRO A 46 18.406 -0.085 -1.245 1.00 0.00 C ATOM 0 HA PRO A 46 16.573 -2.469 0.080 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.711 -1.650 1.636 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.870 -2.747 0.278 1.00 0.00 H new ATOM 0 HG2 PRO A 46 19.694 0.085 0.478 1.00 0.00 H new ATOM 0 HG3 PRO A 46 20.207 -1.129 -0.677 1.00 0.00 H new ATOM 0 HD2 PRO A 46 18.338 0.998 -1.137 1.00 0.00 H new ATOM 0 HD3 PRO A 46 18.766 -0.283 -2.255 1.00 0.00 H new ATOM 709 N GLY A 47 15.764 -1.598 2.221 1.00 0.00 N ATOM 710 CA GLY A 47 15.068 -1.053 3.375 1.00 0.00 C ATOM 711 C GLY A 47 13.685 -0.528 2.983 1.00 0.00 C ATOM 712 O GLY A 47 12.961 0.007 3.821 1.00 0.00 O ATOM 0 H GLY A 47 15.788 -2.617 2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.965 -1.823 4.140 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.657 -0.246 3.812 1.00 0.00 H new ATOM 716 N LYS A 48 13.361 -0.699 1.710 1.00 0.00 N ATOM 717 CA LYS A 48 12.288 0.069 1.101 1.00 0.00 C ATOM 718 C LYS A 48 11.352 -0.879 0.349 1.00 0.00 C ATOM 719 O LYS A 48 11.807 -1.740 -0.403 1.00 0.00 O ATOM 720 CB LYS A 48 12.859 1.189 0.229 1.00 0.00 C ATOM 721 CG LYS A 48 12.483 2.563 0.787 1.00 0.00 C ATOM 722 CD LYS A 48 13.185 2.824 2.121 1.00 0.00 C ATOM 723 CE LYS A 48 13.184 4.317 2.459 1.00 0.00 C ATOM 724 NZ LYS A 48 13.442 4.522 3.902 1.00 0.00 N ATOM 0 H LYS A 48 13.823 -1.358 1.083 1.00 0.00 H new ATOM 0 HA LYS A 48 11.692 0.565 1.867 1.00 0.00 H new ATOM 0 HB2 LYS A 48 13.944 1.098 0.178 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.482 1.090 -0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.756 3.338 0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.403 2.621 0.923 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.685 2.268 2.914 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.211 2.459 2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.945 4.829 1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.224 4.756 2.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.138 5.285 4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.555 4.782 4.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.814 3.644 4.316 1.00 0.00 H new ATOM 738 N SER A 49 10.061 -0.689 0.577 1.00 0.00 N ATOM 739 CA SER A 49 9.052 -1.346 -0.236 1.00 0.00 C ATOM 740 C SER A 49 8.368 -0.326 -1.148 1.00 0.00 C ATOM 741 O SER A 49 8.780 0.831 -1.210 1.00 0.00 O ATOM 742 CB SER A 49 8.016 -2.055 0.639 1.00 0.00 C ATOM 743 OG SER A 49 8.570 -2.490 1.877 1.00 0.00 O ATOM 0 H SER A 49 9.690 -0.089 1.314 1.00 0.00 H new ATOM 0 HA SER A 49 9.545 -2.099 -0.851 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.182 -1.380 0.832 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.613 -2.913 0.101 1.00 0.00 H new ATOM 0 HG SER A 49 7.877 -2.936 2.407 1.00 0.00 H new ATOM 749 N ILE A 50 7.335 -0.792 -1.834 1.00 0.00 N ATOM 750 CA ILE A 50 6.450 0.105 -2.557 1.00 0.00 C ATOM 751 C ILE A 50 5.325 0.565 -1.627 1.00 0.00 C ATOM 752 O ILE A 50 4.870 -0.196 -0.775 1.00 0.00 O ATOM 753 CB ILE A 50 5.953 -0.555 -3.845 1.00 0.00 C ATOM 754 CG1 ILE A 50 7.122 -1.096 -4.670 1.00 0.00 C ATOM 755 CG2 ILE A 50 5.078 0.407 -4.652 1.00 0.00 C ATOM 756 CD1 ILE A 50 8.128 0.011 -4.988 1.00 0.00 C ATOM 0 H ILE A 50 7.091 -1.780 -1.904 1.00 0.00 H new ATOM 0 HA ILE A 50 6.988 0.999 -2.872 1.00 0.00 H new ATOM 0 HB ILE A 50 5.329 -1.407 -3.574 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.618 -1.897 -4.122 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.747 -1.529 -5.597 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.738 -0.087 -5.562 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.215 0.702 -4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.657 1.292 -4.914 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.949 -0.401 -5.575 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.634 0.799 -5.557 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.519 0.425 -4.059 1.00 0.00 H new ATOM 768 N GLY A 51 4.910 1.807 -1.823 1.00 0.00 N ATOM 769 CA GLY A 51 3.634 2.262 -1.295 1.00 0.00 C ATOM 770 C GLY A 51 3.409 3.743 -1.605 1.00 0.00 C ATOM 771 O GLY A 51 4.327 4.437 -2.039 1.00 0.00 O ATOM 0 H GLY A 51 5.434 2.513 -2.340 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.826 1.670 -1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.605 2.104 -0.217 1.00 0.00 H new ATOM 775 N GLY A 52 2.182 4.184 -1.370 1.00 0.00 N ATOM 776 CA GLY A 52 1.838 5.582 -1.567 1.00 0.00 C ATOM 777 C GLY A 52 1.424 5.846 -3.016 1.00 0.00 C ATOM 778 O GLY A 52 1.288 6.997 -3.426 1.00 0.00 O ATOM 0 H GLY A 52 1.413 3.598 -1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.024 5.858 -0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.691 6.210 -1.309 1.00 0.00 H new ATOM 782 N ASP A 53 1.236 4.760 -3.751 1.00 0.00 N ATOM 783 CA ASP A 53 0.826 4.859 -5.142 1.00 0.00 C ATOM 784 C ASP A 53 -0.683 4.624 -5.242 1.00 0.00 C ATOM 785 O ASP A 53 -1.277 4.001 -4.364 1.00 0.00 O ATOM 786 CB ASP A 53 1.527 3.805 -6.000 1.00 0.00 C ATOM 787 CG ASP A 53 3.053 3.790 -5.887 1.00 0.00 C ATOM 788 OD1 ASP A 53 3.544 3.165 -4.922 1.00 0.00 O ATOM 789 OD2 ASP A 53 3.693 4.402 -6.768 1.00 0.00 O ATOM 0 H ASP A 53 1.360 3.807 -3.410 1.00 0.00 H new ATOM 0 HA ASP A 53 1.094 5.852 -5.502 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.147 2.822 -5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.256 3.969 -7.043 1.00 0.00 H new ATOM 794 N VAL A 54 -1.258 5.135 -6.321 1.00 0.00 N ATOM 795 CA VAL A 54 -2.702 5.104 -6.484 1.00 0.00 C ATOM 796 C VAL A 54 -3.126 3.719 -6.976 1.00 0.00 C ATOM 797 O VAL A 54 -2.421 3.095 -7.769 1.00 0.00 O ATOM 798 CB VAL A 54 -3.147 6.232 -7.417 1.00 0.00 C ATOM 799 CG1 VAL A 54 -4.654 6.166 -7.677 1.00 0.00 C ATOM 800 CG2 VAL A 54 -2.747 7.598 -6.856 1.00 0.00 C ATOM 0 H VAL A 54 -0.751 5.572 -7.090 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.198 5.275 -5.529 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.636 6.099 -8.371 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.944 6.979 -8.343 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.902 5.211 -8.140 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.191 6.261 -6.733 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.075 8.382 -7.539 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.217 7.744 -5.883 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.664 7.643 -6.746 1.00 0.00 H new ATOM 810 N PHE A 55 -4.275 3.278 -6.486 1.00 0.00 N ATOM 811 CA PHE A 55 -4.795 1.973 -6.858 1.00 0.00 C ATOM 812 C PHE A 55 -6.132 2.104 -7.590 1.00 0.00 C ATOM 813 O PHE A 55 -6.914 3.010 -7.304 1.00 0.00 O ATOM 814 CB PHE A 55 -5.012 1.191 -5.561 1.00 0.00 C ATOM 815 CG PHE A 55 -6.320 0.398 -5.523 1.00 0.00 C ATOM 816 CD1 PHE A 55 -7.468 0.998 -5.107 1.00 0.00 C ATOM 817 CD2 PHE A 55 -6.335 -0.907 -5.906 1.00 0.00 C ATOM 818 CE1 PHE A 55 -8.681 0.261 -5.073 1.00 0.00 C ATOM 819 CE2 PHE A 55 -7.548 -1.643 -5.871 1.00 0.00 C ATOM 820 CZ PHE A 55 -8.696 -1.044 -5.455 1.00 0.00 C ATOM 0 H PHE A 55 -4.861 3.801 -5.835 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.094 1.470 -7.524 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.178 0.503 -5.420 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.997 1.887 -4.722 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.457 2.034 -4.803 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.424 -1.383 -6.237 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.593 0.737 -4.743 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.559 -2.679 -6.175 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.619 -1.604 -5.428 1.00 0.00 H new ATOM 925 N LEU A 62 -13.645 -1.468 -4.285 1.00 0.00 N ATOM 926 CA LEU A 62 -14.062 -0.603 -3.194 1.00 0.00 C ATOM 927 C LEU A 62 -14.859 0.575 -3.759 1.00 0.00 C ATOM 928 O LEU A 62 -14.702 0.932 -4.926 1.00 0.00 O ATOM 929 CB LEU A 62 -12.855 -0.182 -2.354 1.00 0.00 C ATOM 930 CG LEU A 62 -11.965 -1.317 -1.843 1.00 0.00 C ATOM 931 CD1 LEU A 62 -10.484 -0.974 -2.018 1.00 0.00 C ATOM 932 CD2 LEU A 62 -12.303 -1.668 -0.393 1.00 0.00 C ATOM 0 HA LEU A 62 -14.724 -1.139 -2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -12.241 0.494 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -13.215 0.386 -1.496 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.164 -2.204 -2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.874 -1.797 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.271 -0.811 -3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.252 -0.069 -1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.656 -2.477 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.150 -0.793 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -13.344 -1.984 -0.328 1.00 0.00 H new ATOM 944 N PRO A 63 -15.718 1.160 -2.883 1.00 0.00 N ATOM 945 CA PRO A 63 -16.584 2.250 -3.299 1.00 0.00 C ATOM 946 C PRO A 63 -15.794 3.552 -3.447 1.00 0.00 C ATOM 947 O PRO A 63 -14.578 3.569 -3.261 1.00 0.00 O ATOM 948 CB PRO A 63 -17.661 2.328 -2.229 1.00 0.00 C ATOM 949 CG PRO A 63 -17.102 1.593 -1.021 1.00 0.00 C ATOM 950 CD PRO A 63 -15.888 0.801 -1.478 1.00 0.00 C ATOM 0 HA PRO A 63 -17.028 2.083 -4.281 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.893 3.364 -1.983 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.587 1.867 -2.573 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.824 2.300 -0.239 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.854 0.928 -0.597 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -15.004 1.059 -0.894 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -16.047 -0.271 -1.360 1.00 0.00 H new ATOM 997 N ARG A 68 -13.421 10.782 -2.970 1.00 0.00 N ATOM 998 CA ARG A 68 -12.736 9.732 -2.236 1.00 0.00 C ATOM 999 C ARG A 68 -11.751 9.001 -3.151 1.00 0.00 C ATOM 1000 O ARG A 68 -12.160 8.257 -4.041 1.00 0.00 O ATOM 1001 CB ARG A 68 -13.731 8.724 -1.659 1.00 0.00 C ATOM 1002 CG ARG A 68 -13.016 7.673 -0.808 1.00 0.00 C ATOM 1003 CD ARG A 68 -14.022 6.798 -0.057 1.00 0.00 C ATOM 1004 NE ARG A 68 -14.649 7.574 1.037 1.00 0.00 N ATOM 1005 CZ ARG A 68 -15.711 7.158 1.739 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -16.213 5.933 1.533 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -16.273 7.967 2.648 1.00 0.00 N ATOM 0 HA ARG A 68 -12.194 10.201 -1.414 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.472 9.245 -1.053 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.270 8.235 -2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.390 7.048 -1.445 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -12.354 8.166 -0.096 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -14.788 6.438 -0.744 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -13.521 5.920 0.350 1.00 0.00 H new ATOM 0 HE ARG A 68 -14.247 8.482 1.271 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.786 5.317 0.841 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -17.022 5.617 2.068 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -15.892 8.900 2.805 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -17.082 7.650 3.182 1.00 0.00 H new ATOM 1021 N THR A 69 -10.472 9.238 -2.900 1.00 0.00 N ATOM 1022 CA THR A 69 -9.425 8.525 -3.612 1.00 0.00 C ATOM 1023 C THR A 69 -8.963 7.311 -2.804 1.00 0.00 C ATOM 1024 O THR A 69 -9.205 7.232 -1.601 1.00 0.00 O ATOM 1025 CB THR A 69 -8.300 9.517 -3.915 1.00 0.00 C ATOM 1026 OG1 THR A 69 -8.980 10.690 -4.354 1.00 0.00 O ATOM 1027 CG2 THR A 69 -7.460 9.098 -5.124 1.00 0.00 C ATOM 0 H THR A 69 -10.137 9.914 -2.213 1.00 0.00 H new ATOM 0 HA THR A 69 -9.790 8.126 -4.558 1.00 0.00 H new ATOM 0 HB THR A 69 -7.656 9.613 -3.041 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.325 11.386 -4.570 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.676 9.836 -5.296 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.007 8.125 -4.933 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.098 9.034 -6.006 1.00 0.00 H new ATOM 1035 N TRP A 70 -8.306 6.394 -3.499 1.00 0.00 N ATOM 1036 CA TRP A 70 -7.775 5.204 -2.855 1.00 0.00 C ATOM 1037 C TRP A 70 -6.298 5.080 -3.235 1.00 0.00 C ATOM 1038 O TRP A 70 -5.928 5.311 -4.385 1.00 0.00 O ATOM 1039 CB TRP A 70 -8.595 3.967 -3.228 1.00 0.00 C ATOM 1040 CG TRP A 70 -10.026 3.983 -2.688 1.00 0.00 C ATOM 1041 CD1 TRP A 70 -11.087 4.636 -3.181 1.00 0.00 C ATOM 1042 CD2 TRP A 70 -10.513 3.285 -1.522 1.00 0.00 C ATOM 1043 NE1 TRP A 70 -12.218 4.411 -2.423 1.00 0.00 N ATOM 1044 CE2 TRP A 70 -11.858 3.563 -1.382 1.00 0.00 C ATOM 1045 CE3 TRP A 70 -9.840 2.446 -0.617 1.00 0.00 C ATOM 1046 CZ2 TRP A 70 -12.644 3.042 -0.347 1.00 0.00 C ATOM 1047 CZ3 TRP A 70 -10.640 1.933 0.411 1.00 0.00 C ATOM 1048 CH2 TRP A 70 -11.995 2.204 0.567 1.00 0.00 C ATOM 0 H TRP A 70 -8.129 6.451 -4.502 1.00 0.00 H new ATOM 0 HA TRP A 70 -7.849 5.286 -1.771 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.628 3.880 -4.314 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -8.086 3.079 -2.852 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -11.060 5.261 -4.062 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -13.147 4.796 -2.595 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -8.789 2.215 -0.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -13.695 3.274 -0.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -10.172 1.281 1.134 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.544 1.770 1.390 1.00 0.00 H new ATOM 1059 N ARG A 71 -5.495 4.714 -2.247 1.00 0.00 N ATOM 1060 CA ARG A 71 -4.092 4.425 -2.491 1.00 0.00 C ATOM 1061 C ARG A 71 -3.704 3.093 -1.845 1.00 0.00 C ATOM 1062 O ARG A 71 -4.290 2.693 -0.840 1.00 0.00 O ATOM 1063 CB ARG A 71 -3.197 5.534 -1.934 1.00 0.00 C ATOM 1064 CG ARG A 71 -3.414 6.846 -2.691 1.00 0.00 C ATOM 1065 CD ARG A 71 -2.099 7.613 -2.846 1.00 0.00 C ATOM 1066 NE ARG A 71 -2.348 8.914 -3.508 1.00 0.00 N ATOM 1067 CZ ARG A 71 -1.380 9.747 -3.914 1.00 0.00 C ATOM 1068 NH1 ARG A 71 -0.094 9.429 -3.712 1.00 0.00 N ATOM 1069 NH2 ARG A 71 -1.698 10.897 -4.524 1.00 0.00 N ATOM 0 H ARG A 71 -5.789 4.611 -1.276 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.948 4.365 -3.570 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.411 5.681 -0.875 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.152 5.235 -2.010 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.836 6.637 -3.674 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.138 7.462 -2.158 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.645 7.774 -1.868 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.393 7.026 -3.433 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.316 9.193 -3.665 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.148 8.553 -3.249 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.643 10.063 -4.021 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.677 11.138 -4.679 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.961 11.531 -4.833 1.00 0.00 H new ATOM 1083 N GLU A 72 -2.719 2.444 -2.449 1.00 0.00 N ATOM 1084 CA GLU A 72 -2.280 1.142 -1.976 1.00 0.00 C ATOM 1085 C GLU A 72 -0.878 1.242 -1.372 1.00 0.00 C ATOM 1086 O GLU A 72 -0.163 2.214 -1.611 1.00 0.00 O ATOM 1087 CB GLU A 72 -2.321 0.107 -3.102 1.00 0.00 C ATOM 1088 CG GLU A 72 -1.492 0.570 -4.301 1.00 0.00 C ATOM 1089 CD GLU A 72 -1.248 -0.584 -5.277 1.00 0.00 C ATOM 1090 OE1 GLU A 72 -2.136 -1.459 -5.354 1.00 0.00 O ATOM 1091 OE2 GLU A 72 -0.178 -0.563 -5.923 1.00 0.00 O ATOM 0 H GLU A 72 -2.213 2.796 -3.262 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.966 0.809 -1.197 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.940 -0.847 -2.738 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.353 -0.059 -3.411 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.009 1.381 -4.813 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.537 0.967 -3.956 1.00 0.00 H new ATOM 1098 N ALA A 73 -0.526 0.223 -0.602 1.00 0.00 N ATOM 1099 CA ALA A 73 0.815 0.131 -0.050 1.00 0.00 C ATOM 1100 C ALA A 73 1.127 -1.331 0.278 1.00 0.00 C ATOM 1101 O ALA A 73 0.226 -2.106 0.595 1.00 0.00 O ATOM 1102 CB ALA A 73 0.927 1.040 1.175 1.00 0.00 C ATOM 0 H ALA A 73 -1.146 -0.546 -0.347 1.00 0.00 H new ATOM 0 HA ALA A 73 1.553 0.471 -0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.933 0.971 1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.725 2.071 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.203 0.727 1.927 1.00 0.00 H new ATOM 1108 N ASP A 74 2.407 -1.664 0.190 1.00 0.00 N ATOM 1109 CA ASP A 74 2.841 -3.033 0.410 1.00 0.00 C ATOM 1110 C ASP A 74 2.775 -3.350 1.905 1.00 0.00 C ATOM 1111 O ASP A 74 2.979 -2.470 2.739 1.00 0.00 O ATOM 1112 CB ASP A 74 4.285 -3.234 -0.054 1.00 0.00 C ATOM 1113 CG ASP A 74 4.504 -3.103 -1.562 1.00 0.00 C ATOM 1114 OD1 ASP A 74 3.500 -2.853 -2.262 1.00 0.00 O ATOM 1115 OD2 ASP A 74 5.672 -3.256 -1.981 1.00 0.00 O ATOM 0 H ASP A 74 3.157 -1.009 -0.031 1.00 0.00 H new ATOM 0 HA ASP A 74 2.185 -3.691 -0.160 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.919 -2.507 0.454 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.618 -4.223 0.262 1.00 0.00 H new ATOM 1120 N ILE A 75 2.491 -4.611 2.198 1.00 0.00 N ATOM 1121 CA ILE A 75 2.611 -5.108 3.558 1.00 0.00 C ATOM 1122 C ILE A 75 3.568 -6.302 3.576 1.00 0.00 C ATOM 1123 O ILE A 75 3.740 -6.980 2.565 1.00 0.00 O ATOM 1124 CB ILE A 75 1.230 -5.418 4.139 1.00 0.00 C ATOM 1125 CG1 ILE A 75 0.284 -4.228 3.969 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.336 -5.862 5.599 1.00 0.00 C ATOM 1127 CD1 ILE A 75 0.624 -3.112 4.959 1.00 0.00 C ATOM 0 H ILE A 75 2.178 -5.303 1.517 1.00 0.00 H new ATOM 0 HA ILE A 75 3.040 -4.344 4.207 1.00 0.00 H new ATOM 0 HB ILE A 75 0.804 -6.251 3.580 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.351 -3.848 2.950 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.745 -4.553 4.121 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.340 -6.076 5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.951 -6.760 5.663 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.792 -5.067 6.189 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.063 -2.278 4.817 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.532 -3.489 5.978 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.646 -2.773 4.788 1.00 0.00 H new ATOM 1139 N ASN A 76 4.166 -6.522 4.738 1.00 0.00 N ATOM 1140 CA ASN A 76 5.000 -7.694 4.940 1.00 0.00 C ATOM 1141 C ASN A 76 6.381 -7.443 4.333 1.00 0.00 C ATOM 1142 O ASN A 76 7.398 -7.603 5.007 1.00 0.00 O ATOM 1143 CB ASN A 76 4.399 -8.923 4.255 1.00 0.00 C ATOM 1144 CG ASN A 76 2.890 -9.003 4.497 1.00 0.00 C ATOM 1145 OD1 ASN A 76 2.085 -8.965 3.580 1.00 0.00 O ATOM 1146 ND2 ASN A 76 2.553 -9.115 5.778 1.00 0.00 N ATOM 0 H ASN A 76 4.089 -5.908 5.549 1.00 0.00 H new ATOM 0 HA ASN A 76 5.070 -7.877 6.012 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.597 -8.880 3.184 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.880 -9.826 4.632 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.570 -9.175 6.043 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.277 -9.141 6.496 1.00 0.00 H new ATOM 1266 N ALA A 84 1.925 -8.069 -3.742 1.00 0.00 N ATOM 1267 CA ALA A 84 0.575 -8.589 -3.879 1.00 0.00 C ATOM 1268 C ALA A 84 -0.218 -8.277 -2.608 1.00 0.00 C ATOM 1269 O ALA A 84 -1.267 -7.638 -2.668 1.00 0.00 O ATOM 1270 CB ALA A 84 0.633 -10.089 -4.176 1.00 0.00 C ATOM 0 HA ALA A 84 0.062 -8.111 -4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.380 -10.479 -4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.182 -10.255 -5.103 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.138 -10.603 -3.358 1.00 0.00 H new ATOM 1276 N ASP A 85 0.314 -8.743 -1.487 1.00 0.00 N ATOM 1277 CA ASP A 85 -0.308 -8.486 -0.200 1.00 0.00 C ATOM 1278 C ASP A 85 -0.188 -6.997 0.131 1.00 0.00 C ATOM 1279 O ASP A 85 0.917 -6.474 0.261 1.00 0.00 O ATOM 1280 CB ASP A 85 0.383 -9.275 0.914 1.00 0.00 C ATOM 1281 CG ASP A 85 0.310 -10.797 0.768 1.00 0.00 C ATOM 1282 OD1 ASP A 85 0.704 -11.283 -0.314 1.00 0.00 O ATOM 1283 OD2 ASP A 85 -0.137 -11.439 1.743 1.00 0.00 O ATOM 0 H ASP A 85 1.169 -9.297 -1.444 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.352 -8.792 -0.263 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.431 -8.978 0.953 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -0.063 -8.995 1.868 1.00 0.00 H new ATOM 1288 N ARG A 86 -1.341 -6.357 0.259 1.00 0.00 N ATOM 1289 CA ARG A 86 -1.398 -4.905 0.230 1.00 0.00 C ATOM 1290 C ARG A 86 -2.430 -4.394 1.237 1.00 0.00 C ATOM 1291 O ARG A 86 -3.409 -5.079 1.530 1.00 0.00 O ATOM 1292 CB ARG A 86 -1.764 -4.397 -1.166 1.00 0.00 C ATOM 1293 CG ARG A 86 -0.519 -4.274 -2.048 1.00 0.00 C ATOM 1294 CD ARG A 86 -0.902 -3.958 -3.496 1.00 0.00 C ATOM 1295 NE ARG A 86 -1.381 -5.184 -4.172 1.00 0.00 N ATOM 1296 CZ ARG A 86 -1.660 -5.260 -5.480 1.00 0.00 C ATOM 1297 NH1 ARG A 86 -1.663 -4.150 -6.230 1.00 0.00 N ATOM 1298 NH2 ARG A 86 -1.938 -6.446 -6.038 1.00 0.00 N ATOM 0 H ARG A 86 -2.243 -6.817 0.383 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.410 -4.529 0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.477 -5.079 -1.630 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.255 -3.427 -1.087 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.130 -3.489 -1.660 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.049 -5.203 -2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.679 -3.194 -3.517 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.042 -3.552 -4.028 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.507 -6.024 -3.607 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.453 -3.247 -5.805 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.875 -4.208 -7.226 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.937 -7.291 -5.467 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.150 -6.504 -7.034 1.00 0.00 H new ATOM 1312 N LEU A 87 -2.175 -3.196 1.741 1.00 0.00 N ATOM 1313 CA LEU A 87 -3.205 -2.441 2.435 1.00 0.00 C ATOM 1314 C LEU A 87 -3.675 -1.289 1.544 1.00 0.00 C ATOM 1315 O LEU A 87 -2.858 -0.565 0.977 1.00 0.00 O ATOM 1316 CB LEU A 87 -2.705 -1.991 3.809 1.00 0.00 C ATOM 1317 CG LEU A 87 -3.758 -1.394 4.744 1.00 0.00 C ATOM 1318 CD1 LEU A 87 -4.441 -2.486 5.569 1.00 0.00 C ATOM 1319 CD2 LEU A 87 -3.152 -0.302 5.628 1.00 0.00 C ATOM 0 H LEU A 87 -1.270 -2.729 1.683 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.074 -3.070 2.628 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.250 -2.848 4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.917 -1.252 3.663 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.528 -0.923 4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.185 -2.034 6.225 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.929 -3.195 4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.696 -3.008 6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.922 0.105 6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.350 -0.726 6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.752 0.494 5.000 1.00 0.00 H new ATOM 1331 N VAL A 88 -4.989 -1.156 1.449 1.00 0.00 N ATOM 1332 CA VAL A 88 -5.579 -0.185 0.543 1.00 0.00 C ATOM 1333 C VAL A 88 -6.556 0.701 1.317 1.00 0.00 C ATOM 1334 O VAL A 88 -7.541 0.212 1.869 1.00 0.00 O ATOM 1335 CB VAL A 88 -6.233 -0.903 -0.640 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -6.553 0.079 -1.769 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -5.350 -2.047 -1.143 1.00 0.00 C ATOM 0 H VAL A 88 -5.662 -1.704 1.984 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.809 0.465 0.127 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.173 -1.332 -0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.017 -0.457 -2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.238 0.844 -1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.632 0.551 -2.113 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.838 -2.541 -1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.387 -1.649 -1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.195 -2.767 -0.340 1.00 0.00 H new ATOM 1347 N TYR A 89 -6.250 1.990 1.335 1.00 0.00 N ATOM 1348 CA TYR A 89 -6.936 2.911 2.226 1.00 0.00 C ATOM 1349 C TYR A 89 -7.435 4.141 1.465 1.00 0.00 C ATOM 1350 O TYR A 89 -6.831 4.551 0.476 1.00 0.00 O ATOM 1351 CB TYR A 89 -5.896 3.352 3.258 1.00 0.00 C ATOM 1352 CG TYR A 89 -4.651 4.001 2.649 1.00 0.00 C ATOM 1353 CD1 TYR A 89 -4.632 5.358 2.401 1.00 0.00 C ATOM 1354 CD2 TYR A 89 -3.548 3.228 2.347 1.00 0.00 C ATOM 1355 CE1 TYR A 89 -3.460 5.969 1.827 1.00 0.00 C ATOM 1356 CE2 TYR A 89 -2.376 3.839 1.774 1.00 0.00 C ATOM 1357 CZ TYR A 89 -2.391 5.179 1.542 1.00 0.00 C ATOM 1358 OH TYR A 89 -1.284 5.756 1.001 1.00 0.00 O ATOM 0 H TYR A 89 -5.536 2.419 0.746 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.801 2.430 2.683 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.360 4.057 3.948 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.591 2.485 3.845 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.495 5.962 2.637 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -3.564 2.166 2.540 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.432 7.030 1.628 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -1.505 3.247 1.534 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.213 6.683 1.312 1.00 0.00 H new ATOM 1368 N SER A 90 -8.535 4.694 1.956 1.00 0.00 N ATOM 1369 CA SER A 90 -9.214 5.765 1.247 1.00 0.00 C ATOM 1370 C SER A 90 -8.663 7.120 1.695 1.00 0.00 C ATOM 1371 O SER A 90 -7.870 7.193 2.632 1.00 0.00 O ATOM 1372 CB SER A 90 -10.726 5.705 1.476 1.00 0.00 C ATOM 1373 OG SER A 90 -11.081 6.095 2.799 1.00 0.00 O ATOM 0 H SER A 90 -8.972 4.420 2.836 1.00 0.00 H new ATOM 0 HA SER A 90 -9.030 5.640 0.180 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.227 6.356 0.759 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.081 4.692 1.289 1.00 0.00 H new ATOM 0 HG SER A 90 -11.655 6.889 2.763 1.00 0.00 H new ATOM 1379 N SER A 91 -9.105 8.161 1.003 1.00 0.00 N ATOM 1380 CA SER A 91 -8.720 9.515 1.362 1.00 0.00 C ATOM 1381 C SER A 91 -9.061 9.785 2.829 1.00 0.00 C ATOM 1382 O SER A 91 -8.216 10.254 3.590 1.00 0.00 O ATOM 1383 CB SER A 91 -9.410 10.540 0.460 1.00 0.00 C ATOM 1384 OG SER A 91 -9.032 10.391 -0.906 1.00 0.00 O ATOM 0 H SER A 91 -9.726 8.093 0.196 1.00 0.00 H new ATOM 0 HA SER A 91 -7.643 9.613 1.222 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.491 10.433 0.551 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.160 11.546 0.797 1.00 0.00 H new ATOM 0 HG SER A 91 -9.163 11.241 -1.376 1.00 0.00 H new ATOM 1390 N ASP A 92 -10.300 9.476 3.182 1.00 0.00 N ATOM 1391 CA ASP A 92 -10.801 9.791 4.509 1.00 0.00 C ATOM 1392 C ASP A 92 -10.630 8.570 5.416 1.00 0.00 C ATOM 1393 O ASP A 92 -11.294 8.460 6.446 1.00 0.00 O ATOM 1394 CB ASP A 92 -12.288 10.145 4.468 1.00 0.00 C ATOM 1395 CG ASP A 92 -13.198 9.051 3.903 1.00 0.00 C ATOM 1396 OD1 ASP A 92 -12.751 8.379 2.948 1.00 0.00 O ATOM 1397 OD2 ASP A 92 -14.318 8.912 4.438 1.00 0.00 O ATOM 0 H ASP A 92 -10.972 9.011 2.572 1.00 0.00 H new ATOM 0 HA ASP A 92 -10.239 10.644 4.888 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.617 10.384 5.479 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.415 11.047 3.870 1.00 0.00 H new ATOM 1402 N TRP A 93 -9.736 7.685 5.000 1.00 0.00 N ATOM 1403 CA TRP A 93 -9.108 6.763 5.931 1.00 0.00 C ATOM 1404 C TRP A 93 -10.152 5.724 6.346 1.00 0.00 C ATOM 1405 O TRP A 93 -10.309 5.436 7.531 1.00 0.00 O ATOM 1406 CB TRP A 93 -8.504 7.512 7.121 1.00 0.00 C ATOM 1407 CG TRP A 93 -7.762 8.793 6.738 1.00 0.00 C ATOM 1408 CD1 TRP A 93 -8.058 10.053 7.086 1.00 0.00 C ATOM 1409 CD2 TRP A 93 -6.580 8.890 5.915 1.00 0.00 C ATOM 1410 NE1 TRP A 93 -7.158 10.951 6.549 1.00 0.00 N ATOM 1411 CE2 TRP A 93 -6.231 10.221 5.815 1.00 0.00 C ATOM 1412 CE3 TRP A 93 -5.832 7.885 5.277 1.00 0.00 C ATOM 1413 CZ2 TRP A 93 -5.124 10.669 5.084 1.00 0.00 C ATOM 1414 CZ3 TRP A 93 -4.730 8.350 4.550 1.00 0.00 C ATOM 1415 CH2 TRP A 93 -4.364 9.686 4.439 1.00 0.00 C ATOM 0 H TRP A 93 -9.432 7.587 4.031 1.00 0.00 H new ATOM 0 HA TRP A 93 -8.273 6.247 5.458 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -9.300 7.761 7.822 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -7.816 6.848 7.644 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -8.896 10.331 7.709 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -7.171 11.964 6.669 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -6.087 6.838 5.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.870 11.717 5.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -4.121 7.619 4.039 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -3.497 9.965 3.858 1.00 0.00 H new ATOM 1426 N LEU A 94 -10.838 5.190 5.346 1.00 0.00 N ATOM 1427 CA LEU A 94 -11.479 3.894 5.487 1.00 0.00 C ATOM 1428 C LEU A 94 -10.563 2.811 4.911 1.00 0.00 C ATOM 1429 O LEU A 94 -10.182 2.872 3.743 1.00 0.00 O ATOM 1430 CB LEU A 94 -12.875 3.915 4.860 1.00 0.00 C ATOM 1431 CG LEU A 94 -13.986 4.522 5.719 1.00 0.00 C ATOM 1432 CD1 LEU A 94 -13.710 5.998 6.011 1.00 0.00 C ATOM 1433 CD2 LEU A 94 -15.356 4.313 5.071 1.00 0.00 C ATOM 0 H LEU A 94 -10.964 5.631 4.435 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.631 3.657 6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -12.823 4.470 3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.155 2.892 4.609 1.00 0.00 H new ATOM 0 HG LEU A 94 -13.999 4.002 6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -14.515 6.405 6.623 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -12.765 6.093 6.545 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.653 6.550 5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -16.128 4.754 5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -15.372 4.790 4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -15.546 3.246 4.958 1.00 0.00 H new ATOM 1445 N ILE A 95 -10.237 1.846 5.758 1.00 0.00 N ATOM 1446 CA ILE A 95 -9.097 0.982 5.503 1.00 0.00 C ATOM 1447 C ILE A 95 -9.594 -0.426 5.168 1.00 0.00 C ATOM 1448 O ILE A 95 -10.535 -0.919 5.786 1.00 0.00 O ATOM 1449 CB ILE A 95 -8.119 1.024 6.680 1.00 0.00 C ATOM 1450 CG1 ILE A 95 -7.657 2.456 6.957 1.00 0.00 C ATOM 1451 CG2 ILE A 95 -6.941 0.076 6.448 1.00 0.00 C ATOM 1452 CD1 ILE A 95 -7.130 2.595 8.386 1.00 0.00 C ATOM 0 H ILE A 95 -10.742 1.643 6.621 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.536 1.337 4.638 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.641 0.676 7.571 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.876 2.733 6.249 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.487 3.146 6.803 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.261 0.125 7.299 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.311 -0.943 6.337 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.410 0.370 5.542 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.808 3.622 8.557 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.921 2.340 9.092 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.285 1.922 8.529 1.00 0.00 H new ATOM 1464 N TYR A 96 -8.939 -1.032 4.188 1.00 0.00 N ATOM 1465 CA TYR A 96 -9.152 -2.441 3.906 1.00 0.00 C ATOM 1466 C TYR A 96 -7.834 -3.136 3.560 1.00 0.00 C ATOM 1467 O TYR A 96 -6.862 -2.482 3.186 1.00 0.00 O ATOM 1468 CB TYR A 96 -10.077 -2.493 2.688 1.00 0.00 C ATOM 1469 CG TYR A 96 -11.512 -2.047 2.977 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -11.817 -0.703 3.044 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -12.501 -2.990 3.171 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -13.167 -0.284 3.316 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -13.851 -2.571 3.443 1.00 0.00 C ATOM 1474 CZ TYR A 96 -14.118 -1.238 3.502 1.00 0.00 C ATOM 1475 OH TYR A 96 -15.394 -0.842 3.759 1.00 0.00 O ATOM 0 H TYR A 96 -8.261 -0.573 3.580 1.00 0.00 H new ATOM 0 HA TYR A 96 -9.575 -2.946 4.774 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -9.662 -1.861 1.902 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -10.095 -3.512 2.301 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -11.043 0.035 2.892 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.262 -4.042 3.119 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.419 0.765 3.371 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.634 -3.298 3.597 1.00 0.00 H new ATOM 0 HH TYR A 96 -15.965 -1.631 3.869 1.00 0.00 H new ATOM 1485 N LYS A 97 -7.843 -4.454 3.697 1.00 0.00 N ATOM 1486 CA LYS A 97 -6.670 -5.248 3.374 1.00 0.00 C ATOM 1487 C LYS A 97 -7.023 -6.246 2.269 1.00 0.00 C ATOM 1488 O LYS A 97 -8.197 -6.512 2.021 1.00 0.00 O ATOM 1489 CB LYS A 97 -6.102 -5.903 4.635 1.00 0.00 C ATOM 1490 CG LYS A 97 -7.008 -7.037 5.120 1.00 0.00 C ATOM 1491 CD LYS A 97 -6.413 -8.402 4.770 1.00 0.00 C ATOM 1492 CE LYS A 97 -7.420 -9.523 5.033 1.00 0.00 C ATOM 1493 NZ LYS A 97 -6.842 -10.836 4.669 1.00 0.00 N ATOM 0 H LYS A 97 -8.644 -4.992 4.027 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.874 -4.611 2.987 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -5.105 -6.292 4.429 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.996 -5.156 5.421 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.145 -6.962 6.199 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.994 -6.939 4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -6.115 -8.415 3.722 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -5.512 -8.572 5.360 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.705 -9.524 6.085 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -8.328 -9.347 4.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.539 -11.585 4.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.592 -10.837 3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.988 -11.009 5.237 1.00 0.00 H new ATOM 1507 N THR A 98 -5.984 -6.769 1.634 1.00 0.00 N ATOM 1508 CA THR A 98 -6.158 -7.848 0.677 1.00 0.00 C ATOM 1509 C THR A 98 -4.851 -8.625 0.505 1.00 0.00 C ATOM 1510 O THR A 98 -3.778 -8.030 0.423 1.00 0.00 O ATOM 1511 CB THR A 98 -6.681 -7.243 -0.627 1.00 0.00 C ATOM 1512 OG1 THR A 98 -6.690 -8.338 -1.539 1.00 0.00 O ATOM 1513 CG2 THR A 98 -5.698 -6.249 -1.248 1.00 0.00 C ATOM 0 H THR A 98 -5.019 -6.465 1.764 1.00 0.00 H new ATOM 0 HA THR A 98 -6.888 -8.576 1.031 1.00 0.00 H new ATOM 0 HB THR A 98 -7.631 -6.744 -0.439 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.555 -8.797 -1.491 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.119 -5.850 -2.171 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.516 -5.433 -0.549 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.758 -6.755 -1.467 1.00 0.00 H new ATOM 1521 N THR A 99 -4.985 -9.942 0.456 1.00 0.00 N ATOM 1522 CA THR A 99 -3.873 -10.794 0.070 1.00 0.00 C ATOM 1523 C THR A 99 -4.118 -11.397 -1.314 1.00 0.00 C ATOM 1524 O THR A 99 -3.240 -12.050 -1.875 1.00 0.00 O ATOM 1525 CB THR A 99 -3.679 -11.844 1.166 1.00 0.00 C ATOM 1526 OG1 THR A 99 -4.974 -12.413 1.334 1.00 0.00 O ATOM 1527 CG2 THR A 99 -3.367 -11.220 2.527 1.00 0.00 C ATOM 0 H THR A 99 -5.847 -10.440 0.677 1.00 0.00 H new ATOM 0 HA THR A 99 -2.949 -10.222 -0.019 1.00 0.00 H new ATOM 0 HB THR A 99 -2.871 -12.519 0.883 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.940 -13.106 2.026 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.239 -12.009 3.268 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.450 -10.635 2.457 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.190 -10.571 2.827 1.00 0.00 H new ATOM 1535 N ASP A 100 -5.317 -11.158 -1.824 1.00 0.00 N ATOM 1536 CA ASP A 100 -5.900 -12.048 -2.815 1.00 0.00 C ATOM 1537 C ASP A 100 -6.067 -11.293 -4.135 1.00 0.00 C ATOM 1538 O ASP A 100 -7.010 -11.545 -4.883 1.00 0.00 O ATOM 1539 CB ASP A 100 -7.281 -12.536 -2.372 1.00 0.00 C ATOM 1540 CG ASP A 100 -8.194 -11.455 -1.791 1.00 0.00 C ATOM 1541 OD1 ASP A 100 -8.323 -10.404 -2.456 1.00 0.00 O ATOM 1542 OD2 ASP A 100 -8.742 -11.703 -0.696 1.00 0.00 O ATOM 0 H ASP A 100 -5.901 -10.361 -1.570 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.236 -12.904 -2.933 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -7.781 -12.991 -3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -7.150 -13.320 -1.626 1.00 0.00 H new ATOM 1547 N HIS A 101 -5.135 -10.384 -4.382 1.00 0.00 N ATOM 1548 CA HIS A 101 -5.073 -9.706 -5.666 1.00 0.00 C ATOM 1549 C HIS A 101 -6.316 -8.832 -5.846 1.00 0.00 C ATOM 1550 O HIS A 101 -7.007 -8.932 -6.858 1.00 0.00 O ATOM 1551 CB HIS A 101 -4.885 -10.712 -6.803 1.00 0.00 C ATOM 1552 CG HIS A 101 -4.407 -10.096 -8.096 1.00 0.00 C ATOM 1553 ND1 HIS A 101 -3.243 -9.453 -8.399 1.00 0.00 N flip ATOM 1554 CD2 HIS A 101 -5.163 -10.103 -9.255 1.00 0.00 C flip ATOM 1555 CE1 HIS A 101 -3.285 -9.089 -9.675 1.00 0.00 C flip ATOM 1556 NE2 HIS A 101 -4.475 -9.491 -10.207 1.00 0.00 N flip ATOM 0 H HIS A 101 -4.417 -10.101 -3.715 1.00 0.00 H new ATOM 0 HA HIS A 101 -4.203 -9.049 -5.693 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -4.169 -11.471 -6.488 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -5.831 -11.222 -6.983 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -2.471 -9.281 -7.755 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -6.147 -10.534 -9.365 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -2.505 -8.562 -10.205 1.00 0.00 H new ATOM 1564 N TYR A 102 -6.562 -7.996 -4.848 1.00 0.00 N ATOM 1565 CA TYR A 102 -7.803 -7.243 -4.792 1.00 0.00 C ATOM 1566 C TYR A 102 -8.935 -7.998 -5.493 1.00 0.00 C ATOM 1567 O TYR A 102 -9.562 -7.471 -6.411 1.00 0.00 O ATOM 1568 CB TYR A 102 -7.538 -5.936 -5.541 1.00 0.00 C ATOM 1569 CG TYR A 102 -6.897 -6.126 -6.917 1.00 0.00 C ATOM 1570 CD1 TYR A 102 -5.532 -6.300 -7.025 1.00 0.00 C ATOM 1571 CD2 TYR A 102 -7.684 -6.124 -8.051 1.00 0.00 C ATOM 1572 CE1 TYR A 102 -4.929 -6.479 -8.320 1.00 0.00 C ATOM 1573 CE2 TYR A 102 -7.081 -6.303 -9.346 1.00 0.00 C ATOM 1574 CZ TYR A 102 -5.733 -6.472 -9.417 1.00 0.00 C ATOM 1575 OH TYR A 102 -5.164 -6.641 -10.640 1.00 0.00 O ATOM 0 H TYR A 102 -5.923 -7.824 -4.072 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.105 -7.078 -3.758 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -8.480 -5.401 -5.661 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -6.889 -5.306 -4.933 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.916 -6.302 -6.138 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -8.752 -5.988 -7.967 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.862 -6.616 -8.418 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -7.685 -6.303 -10.241 1.00 0.00 H new ATOM 0 HH TYR A 102 -5.047 -7.598 -10.817 1.00 0.00 H new ATOM 1585 N ALA A 103 -9.162 -9.220 -5.033 1.00 0.00 N ATOM 1586 CA ALA A 103 -10.355 -9.955 -5.418 1.00 0.00 C ATOM 1587 C ALA A 103 -11.448 -9.727 -4.373 1.00 0.00 C ATOM 1588 O ALA A 103 -12.601 -9.477 -4.720 1.00 0.00 O ATOM 1589 CB ALA A 103 -10.010 -11.436 -5.587 1.00 0.00 C ATOM 0 H ALA A 103 -8.540 -9.719 -4.397 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.734 -9.597 -6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.905 -11.987 -5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.250 -11.547 -6.361 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.629 -11.831 -4.645 1.00 0.00 H new ATOM 1595 N THR A 104 -11.048 -9.821 -3.113 1.00 0.00 N ATOM 1596 CA THR A 104 -11.908 -9.400 -2.021 1.00 0.00 C ATOM 1597 C THR A 104 -11.123 -8.548 -1.022 1.00 0.00 C ATOM 1598 O THR A 104 -9.900 -8.452 -1.108 1.00 0.00 O ATOM 1599 CB THR A 104 -12.527 -10.653 -1.397 1.00 0.00 C ATOM 1600 OG1 THR A 104 -11.412 -11.508 -1.158 1.00 0.00 O ATOM 1601 CG2 THR A 104 -13.391 -11.435 -2.387 1.00 0.00 C ATOM 0 H THR A 104 -10.139 -10.183 -2.825 1.00 0.00 H new ATOM 0 HA THR A 104 -12.717 -8.763 -2.378 1.00 0.00 H new ATOM 0 HB THR A 104 -13.131 -10.369 -0.535 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.632 -10.968 -0.913 1.00 0.00 H new ATOM 0 HG21 THR A 104 -13.806 -12.314 -1.893 1.00 0.00 H new ATOM 0 HG22 THR A 104 -14.204 -10.801 -2.741 1.00 0.00 H new ATOM 0 HG23 THR A 104 -12.781 -11.749 -3.234 1.00 0.00 H new ATOM 1609 N PHE A 105 -11.859 -7.949 -0.097 1.00 0.00 N ATOM 1610 CA PHE A 105 -11.252 -7.079 0.896 1.00 0.00 C ATOM 1611 C PHE A 105 -11.891 -7.285 2.270 1.00 0.00 C ATOM 1612 O PHE A 105 -12.987 -7.835 2.373 1.00 0.00 O ATOM 1613 CB PHE A 105 -11.500 -5.640 0.441 1.00 0.00 C ATOM 1614 CG PHE A 105 -10.609 -5.191 -0.719 1.00 0.00 C ATOM 1615 CD1 PHE A 105 -11.018 -5.381 -2.003 1.00 0.00 C ATOM 1616 CD2 PHE A 105 -9.410 -4.603 -0.468 1.00 0.00 C ATOM 1617 CE1 PHE A 105 -10.191 -4.965 -3.080 1.00 0.00 C ATOM 1618 CE2 PHE A 105 -8.583 -4.186 -1.545 1.00 0.00 C ATOM 1619 CZ PHE A 105 -8.991 -4.376 -2.828 1.00 0.00 C ATOM 0 H PHE A 105 -12.871 -8.049 -0.014 1.00 0.00 H new ATOM 0 HA PHE A 105 -10.188 -7.300 0.984 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -12.544 -5.539 0.144 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -11.343 -4.970 1.287 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -11.971 -5.848 -2.203 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -9.086 -4.453 0.551 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -10.515 -5.116 -4.099 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.630 -3.718 -1.345 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.362 -4.059 -3.647 1.00 0.00 H new ATOM 1629 N THR A 106 -11.181 -6.831 3.292 1.00 0.00 N ATOM 1630 CA THR A 106 -11.721 -6.837 4.641 1.00 0.00 C ATOM 1631 C THR A 106 -11.393 -5.523 5.352 1.00 0.00 C ATOM 1632 O THR A 106 -10.253 -5.063 5.319 1.00 0.00 O ATOM 1633 CB THR A 106 -11.178 -8.071 5.363 1.00 0.00 C ATOM 1634 OG1 THR A 106 -11.551 -9.159 4.522 1.00 0.00 O ATOM 1635 CG2 THR A 106 -11.909 -8.349 6.678 1.00 0.00 C ATOM 0 H THR A 106 -10.236 -6.456 3.213 1.00 0.00 H new ATOM 0 HA THR A 106 -12.809 -6.902 4.631 1.00 0.00 H new ATOM 0 HB THR A 106 -10.114 -7.937 5.560 1.00 0.00 H new ATOM 0 HG1 THR A 106 -11.236 -9.999 4.915 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.485 -9.235 7.150 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.797 -7.494 7.345 1.00 0.00 H new ATOM 0 HG23 THR A 106 -12.967 -8.516 6.478 1.00 0.00 H new ATOM 1643 N ARG A 107 -12.413 -4.956 5.980 1.00 0.00 N ATOM 1644 CA ARG A 107 -12.246 -3.705 6.701 1.00 0.00 C ATOM 1645 C ARG A 107 -11.560 -3.955 8.045 1.00 0.00 C ATOM 1646 O ARG A 107 -12.007 -4.793 8.828 1.00 0.00 O ATOM 1647 CB ARG A 107 -13.595 -3.025 6.943 1.00 0.00 C ATOM 1648 CG ARG A 107 -13.408 -1.644 7.574 1.00 0.00 C ATOM 1649 CD ARG A 107 -14.689 -0.815 7.469 1.00 0.00 C ATOM 1650 NE ARG A 107 -14.639 0.317 8.421 1.00 0.00 N ATOM 1651 CZ ARG A 107 -15.062 0.250 9.691 1.00 0.00 C ATOM 1652 NH1 ARG A 107 -15.355 -0.938 10.238 1.00 0.00 N ATOM 1653 NH2 ARG A 107 -15.192 1.371 10.414 1.00 0.00 N ATOM 0 H ARG A 107 -13.358 -5.340 6.005 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.626 -3.049 6.089 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -14.132 -2.928 5.999 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -14.208 -3.647 7.596 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -13.127 -1.754 8.621 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -12.591 -1.121 7.078 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -14.807 -0.441 6.452 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -15.556 -1.441 7.681 1.00 0.00 H new ATOM 0 HE ARG A 107 -14.259 1.204 8.090 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -15.256 -1.791 9.688 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -15.677 -0.989 11.205 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -14.969 2.275 9.998 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -15.514 1.320 11.381 1.00 0.00 H new ATOM 1667 N ILE A 108 -10.486 -3.214 8.272 1.00 0.00 N ATOM 1668 CA ILE A 108 -9.648 -3.446 9.436 1.00 0.00 C ATOM 1669 C ILE A 108 -9.897 -2.344 10.467 1.00 0.00 C ATOM 1670 O ILE A 108 -9.978 -2.615 11.664 1.00 0.00 O ATOM 1671 CB ILE A 108 -8.181 -3.581 9.022 1.00 0.00 C ATOM 1672 CG1 ILE A 108 -7.442 -2.251 9.181 1.00 0.00 C ATOM 1673 CG2 ILE A 108 -8.061 -4.138 7.602 1.00 0.00 C ATOM 1674 CD1 ILE A 108 -7.197 -1.933 10.657 1.00 0.00 C ATOM 0 H ILE A 108 -10.176 -2.452 7.669 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.910 -4.392 9.911 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.702 -4.297 9.690 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -6.490 -2.294 8.652 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -8.024 -1.451 8.725 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -7.008 -4.224 7.333 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.529 -5.121 7.556 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.560 -3.466 6.904 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.670 -0.983 10.742 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.152 -1.866 11.178 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.594 -2.723 11.104 1.00 0.00 H new ATOM 1686 N ARG A 109 -10.012 -1.123 9.965 1.00 0.00 N ATOM 1687 CA ARG A 109 -10.384 0.001 10.807 1.00 0.00 C ATOM 1688 C ARG A 109 -11.873 0.316 10.643 1.00 0.00 C ATOM 1689 O ARG A 109 -12.619 0.052 11.611 1.00 0.00 O ATOM 1690 CB ARG A 109 -9.565 1.245 10.460 1.00 0.00 C ATOM 1691 CG ARG A 109 -9.521 2.220 11.639 1.00 0.00 C ATOM 1692 CD ARG A 109 -8.382 1.868 12.598 1.00 0.00 C ATOM 1693 NE ARG A 109 -8.295 2.882 13.673 1.00 0.00 N ATOM 1694 CZ ARG A 109 -7.307 2.936 14.576 1.00 0.00 C ATOM 1695 NH1 ARG A 109 -6.353 1.995 14.583 1.00 0.00 N ATOM 1696 NH2 ARG A 109 -7.272 3.931 15.473 1.00 0.00 N ATOM 0 H ARG A 109 -9.854 -0.888 8.985 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.179 -0.277 11.841 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -8.551 0.953 10.187 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -9.999 1.739 9.591 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -9.389 3.237 11.270 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.471 2.195 12.172 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -8.551 0.882 13.030 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -7.439 1.821 12.054 1.00 0.00 H new ATOM 0 HE ARG A 109 -9.033 3.583 13.730 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -6.379 1.237 13.901 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -5.601 2.036 15.271 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -7.998 4.648 15.468 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -6.520 3.972 16.160 1.00 0.00 H new