USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 527 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 32 MET CE :methyl 162:sc= -0.12 (180deg=-0.645) USER MOD Set 1.2: A 69 SER OG : rot 180:sc= -0.001 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0737 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -4:sc= -0.772 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= 0.096 (180deg=0.00371) USER MOD Single : A 36 HIS : no HD1:sc= -0.0394 X(o=-0.039,f=-0.002) USER MOD Single : A 37 ASN : amide:sc= -2.63 K(o=-2.6,f=-5.1) USER MOD Single : A 44 MET CE :methyl -162:sc= -0.0443 (180deg=-0.394) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.523 USER MOD Single : A 48 ASN : amide:sc= 0.0876 K(o=0.088,f=-8.7!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.918 USER MOD Single : A 54 GLN : amide:sc= 0.58 K(o=0.58,f=-3.4!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.692 11.418 14.218 1.00 0.00 N ATOM 2 CA GLY A 1 -13.669 12.184 12.985 1.00 0.00 C ATOM 3 C GLY A 1 -12.301 12.189 12.332 1.00 0.00 C ATOM 4 O GLY A 1 -11.327 11.710 12.912 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.288 10.575 14.092 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.725 11.124 14.462 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.080 12.005 14.984 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.399 11.770 12.290 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.973 13.210 13.192 1.00 0.00 H new ATOM 8 N SER A 2 -12.228 12.732 11.121 1.00 0.00 N ATOM 9 CA SER A 2 -10.970 12.793 10.386 1.00 0.00 C ATOM 10 C SER A 2 -10.930 14.018 9.478 1.00 0.00 C ATOM 11 O SER A 2 -11.970 14.551 9.090 1.00 0.00 O ATOM 12 CB SER A 2 -10.778 11.522 9.555 1.00 0.00 C ATOM 13 OG SER A 2 -9.513 11.516 8.917 1.00 0.00 O ATOM 0 H SER A 2 -13.025 13.136 10.628 1.00 0.00 H new ATOM 0 HA SER A 2 -10.159 12.872 11.110 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.869 10.646 10.198 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.567 11.451 8.806 1.00 0.00 H new ATOM 0 HG SER A 2 -9.414 10.693 8.394 1.00 0.00 H new ATOM 19 N SER A 3 -9.722 14.460 9.142 1.00 0.00 N ATOM 20 CA SER A 3 -9.545 15.625 8.283 1.00 0.00 C ATOM 21 C SER A 3 -8.369 15.425 7.332 1.00 0.00 C ATOM 22 O SER A 3 -7.562 14.513 7.508 1.00 0.00 O ATOM 23 CB SER A 3 -9.324 16.880 9.129 1.00 0.00 C ATOM 24 OG SER A 3 -10.444 17.140 9.958 1.00 0.00 O ATOM 0 H SER A 3 -8.851 14.029 9.452 1.00 0.00 H new ATOM 0 HA SER A 3 -10.451 15.750 7.691 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.433 16.755 9.745 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.144 17.735 8.477 1.00 0.00 H new ATOM 0 HG SER A 3 -10.277 17.946 10.490 1.00 0.00 H new ATOM 30 N GLY A 4 -8.278 16.286 6.323 1.00 0.00 N ATOM 31 CA GLY A 4 -7.198 16.188 5.359 1.00 0.00 C ATOM 32 C GLY A 4 -7.699 16.167 3.928 1.00 0.00 C ATOM 33 O GLY A 4 -8.519 16.998 3.538 1.00 0.00 O ATOM 0 H GLY A 4 -8.933 17.050 6.156 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.520 17.031 5.491 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.623 15.283 5.553 1.00 0.00 H new ATOM 37 N SER A 5 -7.203 15.216 3.144 1.00 0.00 N ATOM 38 CA SER A 5 -7.600 15.093 1.746 1.00 0.00 C ATOM 39 C SER A 5 -8.154 13.701 1.459 1.00 0.00 C ATOM 40 O SER A 5 -7.624 12.699 1.939 1.00 0.00 O ATOM 41 CB SER A 5 -6.411 15.381 0.828 1.00 0.00 C ATOM 42 OG SER A 5 -5.416 14.380 0.954 1.00 0.00 O ATOM 0 H SER A 5 -6.525 14.519 3.453 1.00 0.00 H new ATOM 0 HA SER A 5 -8.384 15.824 1.551 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.750 15.433 -0.207 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.986 16.354 1.073 1.00 0.00 H new ATOM 0 HG SER A 5 -4.667 14.586 0.356 1.00 0.00 H new ATOM 48 N SER A 6 -9.224 13.647 0.672 1.00 0.00 N ATOM 49 CA SER A 6 -9.853 12.379 0.323 1.00 0.00 C ATOM 50 C SER A 6 -9.400 11.909 -1.056 1.00 0.00 C ATOM 51 O SER A 6 -9.164 12.717 -1.953 1.00 0.00 O ATOM 52 CB SER A 6 -11.377 12.516 0.352 1.00 0.00 C ATOM 53 OG SER A 6 -11.862 12.527 1.684 1.00 0.00 O ATOM 0 H SER A 6 -9.673 14.467 0.264 1.00 0.00 H new ATOM 0 HA SER A 6 -9.548 11.636 1.060 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.672 13.435 -0.154 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.830 11.690 -0.197 1.00 0.00 H new ATOM 0 HG SER A 6 -12.838 12.617 1.676 1.00 0.00 H new ATOM 59 N GLY A 7 -9.280 10.595 -1.217 1.00 0.00 N ATOM 60 CA GLY A 7 -8.856 10.038 -2.488 1.00 0.00 C ATOM 61 C GLY A 7 -7.353 10.097 -2.674 1.00 0.00 C ATOM 62 O GLY A 7 -6.866 10.361 -3.774 1.00 0.00 O ATOM 0 H GLY A 7 -9.469 9.906 -0.489 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.187 9.002 -2.556 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.341 10.581 -3.299 1.00 0.00 H new ATOM 66 N ARG A 8 -6.615 9.853 -1.596 1.00 0.00 N ATOM 67 CA ARG A 8 -5.158 9.883 -1.644 1.00 0.00 C ATOM 68 C ARG A 8 -4.612 8.646 -2.352 1.00 0.00 C ATOM 69 O ARG A 8 -5.071 7.529 -2.113 1.00 0.00 O ATOM 70 CB ARG A 8 -4.581 9.971 -0.230 1.00 0.00 C ATOM 71 CG ARG A 8 -3.142 9.491 -0.128 1.00 0.00 C ATOM 72 CD ARG A 8 -2.499 9.933 1.177 1.00 0.00 C ATOM 73 NE ARG A 8 -3.189 9.382 2.341 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.073 9.879 3.567 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.298 10.932 3.788 1.00 0.00 N ATOM 76 NH2 ARG A 8 -3.732 9.323 4.575 1.00 0.00 N ATOM 0 H ARG A 8 -7.002 9.632 -0.679 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.856 10.766 -2.207 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.635 11.005 0.112 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.201 9.380 0.444 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.114 8.404 -0.199 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.567 9.880 -0.968 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.455 9.619 1.192 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.505 11.022 1.234 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.793 8.571 2.205 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.789 11.362 3.015 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.210 11.312 4.731 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.329 8.513 4.409 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.642 9.706 5.516 1.00 0.00 H new ATOM 90 N ARG A 9 -3.631 8.855 -3.224 1.00 0.00 N ATOM 91 CA ARG A 9 -3.025 7.757 -3.968 1.00 0.00 C ATOM 92 C ARG A 9 -1.656 7.402 -3.394 1.00 0.00 C ATOM 93 O ARG A 9 -0.960 8.258 -2.847 1.00 0.00 O ATOM 94 CB ARG A 9 -2.889 8.128 -5.446 1.00 0.00 C ATOM 95 CG ARG A 9 -4.127 7.815 -6.269 1.00 0.00 C ATOM 96 CD ARG A 9 -3.784 7.607 -7.735 1.00 0.00 C ATOM 97 NE ARG A 9 -3.781 8.863 -8.481 1.00 0.00 N ATOM 98 CZ ARG A 9 -4.874 9.581 -8.713 1.00 0.00 C ATOM 99 NH1 ARG A 9 -6.051 9.170 -8.261 1.00 0.00 N ATOM 100 NH2 ARG A 9 -4.791 10.714 -9.399 1.00 0.00 N ATOM 0 H ARG A 9 -3.239 9.773 -3.433 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.675 6.887 -3.877 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.670 9.193 -5.526 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.038 7.595 -5.869 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.609 6.920 -5.877 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.844 8.631 -6.174 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.804 7.136 -7.815 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.504 6.922 -8.182 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.892 9.207 -8.843 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.119 8.300 -7.733 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.888 9.724 -8.441 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.888 11.034 -9.748 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.631 11.265 -9.577 1.00 0.00 H new ATOM 114 N VAL A 10 -1.277 6.135 -3.521 1.00 0.00 N ATOM 115 CA VAL A 10 0.008 5.666 -3.015 1.00 0.00 C ATOM 116 C VAL A 10 0.572 4.555 -3.894 1.00 0.00 C ATOM 117 O VAL A 10 -0.171 3.859 -4.585 1.00 0.00 O ATOM 118 CB VAL A 10 -0.112 5.151 -1.569 1.00 0.00 C ATOM 119 CG1 VAL A 10 -0.296 6.311 -0.602 1.00 0.00 C ATOM 120 CG2 VAL A 10 -1.261 4.161 -1.450 1.00 0.00 C ATOM 0 H VAL A 10 -1.842 5.414 -3.970 1.00 0.00 H new ATOM 0 HA VAL A 10 0.686 6.519 -3.033 1.00 0.00 H new ATOM 0 HB VAL A 10 0.812 4.635 -1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.379 5.927 0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.562 6.980 -0.669 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.203 6.858 -0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.331 3.807 -0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.194 4.651 -1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.082 3.315 -2.113 1.00 0.00 H new ATOM 130 N ARG A 11 1.891 4.396 -3.862 1.00 0.00 N ATOM 131 CA ARG A 11 2.556 3.369 -4.656 1.00 0.00 C ATOM 132 C ARG A 11 3.415 2.470 -3.772 1.00 0.00 C ATOM 133 O ARG A 11 4.010 2.926 -2.797 1.00 0.00 O ATOM 134 CB ARG A 11 3.421 4.014 -5.740 1.00 0.00 C ATOM 135 CG ARG A 11 4.135 3.008 -6.628 1.00 0.00 C ATOM 136 CD ARG A 11 3.288 2.631 -7.834 1.00 0.00 C ATOM 137 NE ARG A 11 3.029 3.777 -8.701 1.00 0.00 N ATOM 138 CZ ARG A 11 2.477 3.677 -9.905 1.00 0.00 C ATOM 139 NH1 ARG A 11 2.126 2.490 -10.381 1.00 0.00 N ATOM 140 NH2 ARG A 11 2.274 4.766 -10.635 1.00 0.00 N ATOM 0 H ARG A 11 2.520 4.965 -3.295 1.00 0.00 H new ATOM 0 HA ARG A 11 1.789 2.757 -5.130 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.794 4.653 -6.361 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.162 4.658 -5.266 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.084 3.427 -6.964 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.368 2.113 -6.051 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.795 1.853 -8.404 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.341 2.212 -7.495 1.00 0.00 H new ATOM 0 HE ARG A 11 3.286 4.705 -8.364 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.280 1.651 -9.822 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.702 2.416 -11.306 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.542 5.681 -10.272 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.850 4.689 -11.560 1.00 0.00 H new ATOM 154 N ALA A 12 3.473 1.188 -4.121 1.00 0.00 N ATOM 155 CA ALA A 12 4.260 0.225 -3.360 1.00 0.00 C ATOM 156 C ALA A 12 5.697 0.168 -3.867 1.00 0.00 C ATOM 157 O ALA A 12 5.982 -0.466 -4.884 1.00 0.00 O ATOM 158 CB ALA A 12 3.619 -1.153 -3.430 1.00 0.00 C ATOM 0 H ALA A 12 2.985 0.793 -4.925 1.00 0.00 H new ATOM 0 HA ALA A 12 4.282 0.551 -2.320 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.217 -1.862 -2.858 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.613 -1.108 -3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.567 -1.478 -4.469 1.00 0.00 H new ATOM 164 N ILE A 13 6.598 0.835 -3.154 1.00 0.00 N ATOM 165 CA ILE A 13 8.006 0.859 -3.532 1.00 0.00 C ATOM 166 C ILE A 13 8.674 -0.482 -3.248 1.00 0.00 C ATOM 167 O ILE A 13 9.804 -0.727 -3.673 1.00 0.00 O ATOM 168 CB ILE A 13 8.770 1.969 -2.787 1.00 0.00 C ATOM 169 CG1 ILE A 13 8.830 1.660 -1.289 1.00 0.00 C ATOM 170 CG2 ILE A 13 8.112 3.319 -3.029 1.00 0.00 C ATOM 171 CD1 ILE A 13 9.874 2.465 -0.547 1.00 0.00 C ATOM 0 H ILE A 13 6.378 1.366 -2.311 1.00 0.00 H new ATOM 0 HA ILE A 13 8.042 1.061 -4.603 1.00 0.00 H new ATOM 0 HB ILE A 13 9.789 2.009 -3.172 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.852 1.853 -0.847 1.00 0.00 H new ATOM 0 HG13 ILE A 13 9.037 0.599 -1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.664 4.093 -2.496 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.117 3.540 -4.096 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.084 3.292 -2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.860 2.194 0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.859 2.254 -0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.656 3.528 -0.652 1.00 0.00 H new ATOM 183 N LEU A 14 7.969 -1.348 -2.528 1.00 0.00 N ATOM 184 CA LEU A 14 8.493 -2.666 -2.189 1.00 0.00 C ATOM 185 C LEU A 14 7.365 -3.685 -2.065 1.00 0.00 C ATOM 186 O LEU A 14 6.241 -3.360 -1.683 1.00 0.00 O ATOM 187 CB LEU A 14 9.283 -2.601 -0.880 1.00 0.00 C ATOM 188 CG LEU A 14 10.672 -1.969 -0.965 1.00 0.00 C ATOM 189 CD1 LEU A 14 11.149 -1.539 0.414 1.00 0.00 C ATOM 190 CD2 LEU A 14 11.662 -2.938 -1.595 1.00 0.00 C ATOM 0 H LEU A 14 7.033 -1.161 -2.168 1.00 0.00 H new ATOM 0 HA LEU A 14 9.158 -2.983 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.695 -2.042 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.390 -3.614 -0.493 1.00 0.00 H new ATOM 0 HG LEU A 14 10.608 -1.083 -1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.140 -1.091 0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 14 10.454 -0.809 0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.196 -2.408 1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.645 -2.471 -1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.722 -3.842 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.329 -3.196 -2.600 1.00 0.00 H new ATOM 202 N PRO A 15 7.671 -4.949 -2.394 1.00 0.00 N ATOM 203 CA PRO A 15 6.696 -6.042 -2.326 1.00 0.00 C ATOM 204 C PRO A 15 6.328 -6.401 -0.890 1.00 0.00 C ATOM 205 O PRO A 15 7.146 -6.273 0.022 1.00 0.00 O ATOM 206 CB PRO A 15 7.424 -7.209 -2.999 1.00 0.00 C ATOM 207 CG PRO A 15 8.872 -6.907 -2.818 1.00 0.00 C ATOM 208 CD PRO A 15 8.990 -5.408 -2.858 1.00 0.00 C ATOM 0 HA PRO A 15 5.753 -5.778 -2.804 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.157 -8.160 -2.539 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.164 -7.282 -4.055 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.238 -7.302 -1.870 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.468 -7.367 -3.606 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.790 -5.051 -2.210 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.209 -5.049 -3.864 1.00 0.00 H new ATOM 216 N TYR A 16 5.094 -6.852 -0.696 1.00 0.00 N ATOM 217 CA TYR A 16 4.617 -7.228 0.630 1.00 0.00 C ATOM 218 C TYR A 16 3.945 -8.597 0.599 1.00 0.00 C ATOM 219 O TYR A 16 3.238 -8.935 -0.351 1.00 0.00 O ATOM 220 CB TYR A 16 3.638 -6.179 1.159 1.00 0.00 C ATOM 221 CG TYR A 16 3.185 -6.435 2.578 1.00 0.00 C ATOM 222 CD1 TYR A 16 4.099 -6.761 3.572 1.00 0.00 C ATOM 223 CD2 TYR A 16 1.842 -6.352 2.926 1.00 0.00 C ATOM 224 CE1 TYR A 16 3.690 -6.997 4.870 1.00 0.00 C ATOM 225 CE2 TYR A 16 1.424 -6.584 4.222 1.00 0.00 C ATOM 226 CZ TYR A 16 2.351 -6.907 5.190 1.00 0.00 C ATOM 227 OH TYR A 16 1.939 -7.140 6.482 1.00 0.00 O ATOM 0 H TYR A 16 4.406 -6.966 -1.440 1.00 0.00 H new ATOM 0 HA TYR A 16 5.478 -7.281 1.297 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.108 -5.197 1.108 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.765 -6.148 0.508 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.148 -6.831 3.325 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.112 -6.102 2.170 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.414 -7.251 5.630 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.377 -6.513 4.476 1.00 0.00 H new ATOM 0 HH TYR A 16 0.966 -7.035 6.539 1.00 0.00 H new ATOM 237 N THR A 17 4.171 -9.384 1.647 1.00 0.00 N ATOM 238 CA THR A 17 3.589 -10.716 1.742 1.00 0.00 C ATOM 239 C THR A 17 2.466 -10.754 2.772 1.00 0.00 C ATOM 240 O THR A 17 2.701 -11.006 3.954 1.00 0.00 O ATOM 241 CB THR A 17 4.650 -11.767 2.118 1.00 0.00 C ATOM 242 OG1 THR A 17 5.714 -11.754 1.159 1.00 0.00 O ATOM 243 CG2 THR A 17 4.036 -13.158 2.182 1.00 0.00 C ATOM 0 H THR A 17 4.753 -9.121 2.442 1.00 0.00 H new ATOM 0 HA THR A 17 3.184 -10.954 0.758 1.00 0.00 H new ATOM 0 HB THR A 17 5.045 -11.516 3.102 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.385 -12.424 1.406 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.805 -13.883 2.449 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.246 -13.173 2.933 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.617 -13.416 1.209 1.00 0.00 H new ATOM 251 N LYS A 18 1.243 -10.503 2.316 1.00 0.00 N ATOM 252 CA LYS A 18 0.081 -10.510 3.198 1.00 0.00 C ATOM 253 C LYS A 18 0.227 -11.575 4.281 1.00 0.00 C ATOM 254 O LYS A 18 0.812 -12.633 4.051 1.00 0.00 O ATOM 255 CB LYS A 18 -1.195 -10.759 2.391 1.00 0.00 C ATOM 256 CG LYS A 18 -1.356 -12.199 1.936 1.00 0.00 C ATOM 257 CD LYS A 18 -2.804 -12.522 1.608 1.00 0.00 C ATOM 258 CE LYS A 18 -3.552 -13.032 2.830 1.00 0.00 C ATOM 259 NZ LYS A 18 -4.839 -13.684 2.461 1.00 0.00 N ATOM 0 H LYS A 18 1.031 -10.292 1.341 1.00 0.00 H new ATOM 0 HA LYS A 18 0.015 -9.534 3.679 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.058 -10.479 2.996 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.194 -10.108 1.516 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.735 -12.375 1.058 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.001 -12.870 2.718 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.299 -11.630 1.223 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.841 -13.272 0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.926 -13.744 3.368 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.747 -12.202 3.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.318 -14.018 3.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.447 -12.998 1.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.651 -14.492 1.834 1.00 0.00 H new ATOM 273 N VAL A 19 -0.311 -11.288 5.462 1.00 0.00 N ATOM 274 CA VAL A 19 -0.244 -12.222 6.580 1.00 0.00 C ATOM 275 C VAL A 19 -1.350 -13.267 6.490 1.00 0.00 C ATOM 276 O VAL A 19 -2.495 -12.968 6.152 1.00 0.00 O ATOM 277 CB VAL A 19 -0.353 -11.489 7.930 1.00 0.00 C ATOM 278 CG1 VAL A 19 -0.368 -12.486 9.079 1.00 0.00 C ATOM 279 CG2 VAL A 19 0.788 -10.495 8.091 1.00 0.00 C ATOM 0 H VAL A 19 -0.798 -10.416 5.669 1.00 0.00 H new ATOM 0 HA VAL A 19 0.725 -12.718 6.521 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.292 -10.935 7.948 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.445 -11.950 10.025 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.222 -13.154 8.970 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.553 -13.069 9.067 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.695 -9.986 9.051 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.740 -11.024 8.052 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.748 -9.761 7.286 1.00 0.00 H new ATOM 289 N PRO A 20 -1.001 -14.525 6.800 1.00 0.00 N ATOM 290 CA PRO A 20 -1.951 -15.641 6.764 1.00 0.00 C ATOM 291 C PRO A 20 -2.994 -15.552 7.872 1.00 0.00 C ATOM 292 O PRO A 20 -2.666 -15.268 9.025 1.00 0.00 O ATOM 293 CB PRO A 20 -1.061 -16.870 6.964 1.00 0.00 C ATOM 294 CG PRO A 20 0.130 -16.360 7.699 1.00 0.00 C ATOM 295 CD PRO A 20 0.346 -14.954 7.212 1.00 0.00 C ATOM 0 HA PRO A 20 -2.524 -15.658 5.837 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.576 -17.643 7.534 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.777 -17.313 6.009 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.038 -16.379 8.776 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.005 -16.980 7.503 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.749 -14.314 7.997 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.050 -14.920 6.381 1.00 0.00 H new ATOM 303 N ASP A 21 -4.250 -15.796 7.517 1.00 0.00 N ATOM 304 CA ASP A 21 -5.342 -15.745 8.484 1.00 0.00 C ATOM 305 C ASP A 21 -5.673 -14.302 8.853 1.00 0.00 C ATOM 306 O ASP A 21 -5.929 -13.990 10.016 1.00 0.00 O ATOM 307 CB ASP A 21 -4.976 -16.535 9.741 1.00 0.00 C ATOM 308 CG ASP A 21 -4.075 -17.717 9.440 1.00 0.00 C ATOM 309 OD1 ASP A 21 -4.463 -18.560 8.605 1.00 0.00 O ATOM 310 OD2 ASP A 21 -2.983 -17.799 10.040 1.00 0.00 O ATOM 0 H ASP A 21 -4.538 -16.031 6.567 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.222 -16.195 8.025 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.478 -15.874 10.450 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.888 -16.890 10.222 1.00 0.00 H new ATOM 315 N THR A 22 -5.666 -13.424 7.854 1.00 0.00 N ATOM 316 CA THR A 22 -5.964 -12.015 8.074 1.00 0.00 C ATOM 317 C THR A 22 -6.419 -11.342 6.784 1.00 0.00 C ATOM 318 O THR A 22 -6.353 -11.934 5.707 1.00 0.00 O ATOM 319 CB THR A 22 -4.740 -11.262 8.627 1.00 0.00 C ATOM 320 OG1 THR A 22 -3.580 -11.569 7.845 1.00 0.00 O ATOM 321 CG2 THR A 22 -4.489 -11.632 10.082 1.00 0.00 C ATOM 0 H THR A 22 -5.457 -13.665 6.885 1.00 0.00 H new ATOM 0 HA THR A 22 -6.769 -11.973 8.807 1.00 0.00 H new ATOM 0 HB THR A 22 -4.943 -10.193 8.570 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.810 -12.239 7.168 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.620 -11.088 10.451 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.362 -11.370 10.680 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.306 -12.704 10.158 1.00 0.00 H new ATOM 329 N ASP A 23 -6.882 -10.102 6.901 1.00 0.00 N ATOM 330 CA ASP A 23 -7.347 -9.347 5.743 1.00 0.00 C ATOM 331 C ASP A 23 -6.169 -8.823 4.927 1.00 0.00 C ATOM 332 O ASP A 23 -6.309 -8.520 3.742 1.00 0.00 O ATOM 333 CB ASP A 23 -8.233 -8.183 6.189 1.00 0.00 C ATOM 334 CG ASP A 23 -9.689 -8.582 6.323 1.00 0.00 C ATOM 335 OD1 ASP A 23 -10.199 -9.279 5.421 1.00 0.00 O ATOM 336 OD2 ASP A 23 -10.319 -8.197 7.331 1.00 0.00 O ATOM 0 H ASP A 23 -6.945 -9.599 7.786 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.932 -10.018 5.113 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.874 -7.803 7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.147 -7.369 5.470 1.00 0.00 H new ATOM 341 N GLU A 24 -5.010 -8.718 5.569 1.00 0.00 N ATOM 342 CA GLU A 24 -3.809 -8.229 4.903 1.00 0.00 C ATOM 343 C GLU A 24 -3.779 -8.671 3.443 1.00 0.00 C ATOM 344 O GLU A 24 -4.135 -9.804 3.119 1.00 0.00 O ATOM 345 CB GLU A 24 -2.558 -8.731 5.625 1.00 0.00 C ATOM 346 CG GLU A 24 -2.313 -8.052 6.962 1.00 0.00 C ATOM 347 CD GLU A 24 -3.221 -8.576 8.057 1.00 0.00 C ATOM 348 OE1 GLU A 24 -4.377 -8.112 8.143 1.00 0.00 O ATOM 349 OE2 GLU A 24 -2.775 -9.451 8.829 1.00 0.00 O ATOM 0 H GLU A 24 -4.877 -8.965 6.550 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.825 -7.140 4.935 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.647 -9.806 5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.691 -8.574 4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.274 -8.200 7.255 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.464 -6.978 6.853 1.00 0.00 H new ATOM 356 N ILE A 25 -3.353 -7.768 2.566 1.00 0.00 N ATOM 357 CA ILE A 25 -3.276 -8.064 1.141 1.00 0.00 C ATOM 358 C ILE A 25 -1.836 -8.001 0.643 1.00 0.00 C ATOM 359 O ILE A 25 -1.006 -7.285 1.203 1.00 0.00 O ATOM 360 CB ILE A 25 -4.136 -7.089 0.316 1.00 0.00 C ATOM 361 CG1 ILE A 25 -3.621 -5.657 0.479 1.00 0.00 C ATOM 362 CG2 ILE A 25 -5.595 -7.184 0.735 1.00 0.00 C ATOM 363 CD1 ILE A 25 -3.942 -4.761 -0.697 1.00 0.00 C ATOM 0 H ILE A 25 -3.056 -6.825 2.818 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.660 -9.076 1.008 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.062 -7.364 -0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.052 -5.225 1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.541 -5.682 0.622 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.190 -6.489 0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.955 -8.200 0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.687 -6.932 1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.547 -3.762 -0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.488 -5.169 -1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.023 -4.705 -0.828 1.00 0.00 H new ATOM 375 N SER A 26 -1.547 -8.754 -0.413 1.00 0.00 N ATOM 376 CA SER A 26 -0.206 -8.785 -0.986 1.00 0.00 C ATOM 377 C SER A 26 -0.151 -7.984 -2.283 1.00 0.00 C ATOM 378 O SER A 26 -1.004 -8.137 -3.158 1.00 0.00 O ATOM 379 CB SER A 26 0.226 -10.230 -1.247 1.00 0.00 C ATOM 380 OG SER A 26 -0.641 -10.863 -2.172 1.00 0.00 O ATOM 0 H SER A 26 -2.223 -9.351 -0.889 1.00 0.00 H new ATOM 0 HA SER A 26 0.479 -8.332 -0.270 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.246 -10.244 -1.632 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.231 -10.786 -0.310 1.00 0.00 H new ATOM 0 HG SER A 26 -0.342 -11.784 -2.323 1.00 0.00 H new ATOM 386 N PHE A 27 0.860 -7.129 -2.400 1.00 0.00 N ATOM 387 CA PHE A 27 1.028 -6.302 -3.589 1.00 0.00 C ATOM 388 C PHE A 27 2.421 -6.482 -4.185 1.00 0.00 C ATOM 389 O PHE A 27 3.281 -7.135 -3.594 1.00 0.00 O ATOM 390 CB PHE A 27 0.792 -4.829 -3.249 1.00 0.00 C ATOM 391 CG PHE A 27 1.278 -4.444 -1.881 1.00 0.00 C ATOM 392 CD1 PHE A 27 0.472 -4.626 -0.769 1.00 0.00 C ATOM 393 CD2 PHE A 27 2.541 -3.902 -1.707 1.00 0.00 C ATOM 394 CE1 PHE A 27 0.917 -4.272 0.491 1.00 0.00 C ATOM 395 CE2 PHE A 27 2.992 -3.547 -0.449 1.00 0.00 C ATOM 396 CZ PHE A 27 2.178 -3.733 0.651 1.00 0.00 C ATOM 0 H PHE A 27 1.575 -6.991 -1.686 1.00 0.00 H new ATOM 0 HA PHE A 27 0.293 -6.619 -4.328 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.293 -4.208 -3.992 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.274 -4.614 -3.321 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.515 -5.049 -0.888 1.00 0.00 H new ATOM 0 HD2 PHE A 27 3.181 -3.755 -2.564 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.279 -4.417 1.350 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.979 -3.125 -0.327 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.527 -3.457 1.635 1.00 0.00 H new ATOM 406 N LEU A 28 2.636 -5.897 -5.358 1.00 0.00 N ATOM 407 CA LEU A 28 3.925 -5.993 -6.036 1.00 0.00 C ATOM 408 C LEU A 28 4.558 -4.614 -6.198 1.00 0.00 C ATOM 409 O LEU A 28 3.860 -3.601 -6.252 1.00 0.00 O ATOM 410 CB LEU A 28 3.755 -6.653 -7.405 1.00 0.00 C ATOM 411 CG LEU A 28 3.093 -8.031 -7.408 1.00 0.00 C ATOM 412 CD1 LEU A 28 2.673 -8.418 -8.818 1.00 0.00 C ATOM 413 CD2 LEU A 28 4.033 -9.076 -6.824 1.00 0.00 C ATOM 0 H LEU A 28 1.935 -5.351 -5.860 1.00 0.00 H new ATOM 0 HA LEU A 28 4.586 -6.606 -5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.166 -5.988 -8.036 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.738 -6.743 -7.867 1.00 0.00 H new ATOM 0 HG LEU A 28 2.200 -7.985 -6.784 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.204 -9.402 -8.801 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.964 -7.684 -9.201 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.550 -8.446 -9.464 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.545 -10.051 -6.834 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.944 -9.120 -7.421 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.284 -8.807 -5.798 1.00 0.00 H new ATOM 425 N LYS A 29 5.884 -4.584 -6.276 1.00 0.00 N ATOM 426 CA LYS A 29 6.612 -3.331 -6.436 1.00 0.00 C ATOM 427 C LYS A 29 6.112 -2.562 -7.655 1.00 0.00 C ATOM 428 O LYS A 29 6.254 -3.016 -8.789 1.00 0.00 O ATOM 429 CB LYS A 29 8.112 -3.603 -6.573 1.00 0.00 C ATOM 430 CG LYS A 29 8.963 -2.345 -6.548 1.00 0.00 C ATOM 431 CD LYS A 29 10.295 -2.560 -7.248 1.00 0.00 C ATOM 432 CE LYS A 29 11.317 -1.513 -6.833 1.00 0.00 C ATOM 433 NZ LYS A 29 12.062 -1.920 -5.610 1.00 0.00 N ATOM 0 H LYS A 29 6.476 -5.413 -6.231 1.00 0.00 H new ATOM 0 HA LYS A 29 6.438 -2.723 -5.548 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.429 -4.262 -5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.292 -4.135 -7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.424 -1.530 -7.031 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.138 -2.043 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.675 -3.554 -7.013 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.150 -2.521 -8.328 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.021 -1.349 -7.649 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.812 -0.564 -6.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.986 -1.444 -5.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.517 -1.651 -4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.203 -2.950 -5.616 1.00 0.00 H new ATOM 447 N GLY A 30 5.526 -1.393 -7.412 1.00 0.00 N ATOM 448 CA GLY A 30 5.015 -0.579 -8.499 1.00 0.00 C ATOM 449 C GLY A 30 3.503 -0.623 -8.595 1.00 0.00 C ATOM 450 O GLY A 30 2.927 -0.243 -9.615 1.00 0.00 O ATOM 0 H GLY A 30 5.396 -0.996 -6.482 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.337 0.453 -8.359 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.446 -0.922 -9.440 1.00 0.00 H new ATOM 454 N ASP A 31 2.858 -1.088 -7.531 1.00 0.00 N ATOM 455 CA ASP A 31 1.403 -1.180 -7.499 1.00 0.00 C ATOM 456 C ASP A 31 0.795 0.045 -6.823 1.00 0.00 C ATOM 457 O ASP A 31 1.290 0.508 -5.795 1.00 0.00 O ATOM 458 CB ASP A 31 0.967 -2.451 -6.767 1.00 0.00 C ATOM 459 CG ASP A 31 0.937 -3.662 -7.678 1.00 0.00 C ATOM 460 OD1 ASP A 31 1.856 -3.800 -8.513 1.00 0.00 O ATOM 461 OD2 ASP A 31 -0.006 -4.473 -7.557 1.00 0.00 O ATOM 0 H ASP A 31 3.320 -1.407 -6.679 1.00 0.00 H new ATOM 0 HA ASP A 31 1.044 -1.221 -8.527 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.648 -2.641 -5.937 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.023 -2.298 -6.338 1.00 0.00 H new ATOM 466 N MET A 32 -0.279 0.565 -7.407 1.00 0.00 N ATOM 467 CA MET A 32 -0.954 1.736 -6.861 1.00 0.00 C ATOM 468 C MET A 32 -2.080 1.324 -5.917 1.00 0.00 C ATOM 469 O MET A 32 -2.399 0.141 -5.794 1.00 0.00 O ATOM 470 CB MET A 32 -1.512 2.603 -7.991 1.00 0.00 C ATOM 471 CG MET A 32 -0.515 3.618 -8.527 1.00 0.00 C ATOM 472 SD MET A 32 -0.817 4.042 -10.253 1.00 0.00 S ATOM 473 CE MET A 32 -0.661 5.826 -10.196 1.00 0.00 C ATOM 0 H MET A 32 -0.701 0.194 -8.258 1.00 0.00 H new ATOM 0 HA MET A 32 -0.223 2.315 -6.296 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.835 1.957 -8.808 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.396 3.129 -7.631 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.562 4.523 -7.921 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.494 3.219 -8.426 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.502 6.210 -11.204 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.573 6.258 -9.783 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.186 6.097 -9.566 1.00 0.00 H new ATOM 483 N PHE A 33 -2.677 2.307 -5.251 1.00 0.00 N ATOM 484 CA PHE A 33 -3.767 2.046 -4.318 1.00 0.00 C ATOM 485 C PHE A 33 -4.647 3.281 -4.150 1.00 0.00 C ATOM 486 O PHE A 33 -4.343 4.349 -4.681 1.00 0.00 O ATOM 487 CB PHE A 33 -3.210 1.615 -2.959 1.00 0.00 C ATOM 488 CG PHE A 33 -2.163 0.542 -3.053 1.00 0.00 C ATOM 489 CD1 PHE A 33 -0.841 0.867 -3.313 1.00 0.00 C ATOM 490 CD2 PHE A 33 -2.500 -0.791 -2.882 1.00 0.00 C ATOM 491 CE1 PHE A 33 0.124 -0.119 -3.401 1.00 0.00 C ATOM 492 CE2 PHE A 33 -1.539 -1.780 -2.969 1.00 0.00 C ATOM 493 CZ PHE A 33 -0.225 -1.444 -3.228 1.00 0.00 C ATOM 0 H PHE A 33 -2.424 3.291 -5.340 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.377 1.240 -4.726 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.784 2.484 -2.458 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.030 1.258 -2.336 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.562 1.901 -3.448 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.526 -1.060 -2.678 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.151 0.147 -3.605 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.815 -2.815 -2.834 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.528 -2.215 -3.295 1.00 0.00 H new ATOM 503 N ILE A 34 -5.739 3.125 -3.410 1.00 0.00 N ATOM 504 CA ILE A 34 -6.664 4.227 -3.172 1.00 0.00 C ATOM 505 C ILE A 34 -7.015 4.340 -1.692 1.00 0.00 C ATOM 506 O ILE A 34 -8.002 3.766 -1.231 1.00 0.00 O ATOM 507 CB ILE A 34 -7.961 4.058 -3.984 1.00 0.00 C ATOM 508 CG1 ILE A 34 -7.643 3.936 -5.476 1.00 0.00 C ATOM 509 CG2 ILE A 34 -8.900 5.228 -3.732 1.00 0.00 C ATOM 510 CD1 ILE A 34 -8.768 3.333 -6.287 1.00 0.00 C ATOM 0 H ILE A 34 -6.005 2.247 -2.965 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.159 5.138 -3.494 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.457 3.143 -3.661 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.411 4.925 -5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.749 3.325 -5.600 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.812 5.094 -4.313 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.148 5.273 -2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.413 6.156 -4.030 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.472 3.277 -7.335 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.986 2.331 -5.918 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.658 3.956 -6.194 1.00 0.00 H new ATOM 522 N VAL A 35 -6.201 5.086 -0.952 1.00 0.00 N ATOM 523 CA VAL A 35 -6.427 5.278 0.476 1.00 0.00 C ATOM 524 C VAL A 35 -7.842 5.777 0.746 1.00 0.00 C ATOM 525 O VAL A 35 -8.229 6.855 0.293 1.00 0.00 O ATOM 526 CB VAL A 35 -5.419 6.277 1.074 1.00 0.00 C ATOM 527 CG1 VAL A 35 -5.718 6.522 2.545 1.00 0.00 C ATOM 528 CG2 VAL A 35 -3.996 5.774 0.887 1.00 0.00 C ATOM 0 H VAL A 35 -5.379 5.567 -1.317 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.291 4.307 0.952 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.517 7.225 0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.995 7.230 2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.723 6.930 2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.650 5.581 3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.297 6.492 1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.881 4.813 1.388 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.789 5.656 -0.177 1.00 0.00 H new ATOM 538 N HIS A 36 -8.611 4.987 1.488 1.00 0.00 N ATOM 539 CA HIS A 36 -9.984 5.349 1.821 1.00 0.00 C ATOM 540 C HIS A 36 -10.106 5.721 3.295 1.00 0.00 C ATOM 541 O HIS A 36 -10.703 6.740 3.641 1.00 0.00 O ATOM 542 CB HIS A 36 -10.931 4.194 1.495 1.00 0.00 C ATOM 543 CG HIS A 36 -11.286 4.102 0.042 1.00 0.00 C ATOM 544 ND1 HIS A 36 -12.061 5.042 -0.604 1.00 0.00 N ATOM 545 CD2 HIS A 36 -10.966 3.175 -0.890 1.00 0.00 C ATOM 546 CE1 HIS A 36 -12.204 4.697 -1.871 1.00 0.00 C ATOM 547 NE2 HIS A 36 -11.548 3.567 -2.071 1.00 0.00 N ATOM 0 H HIS A 36 -8.307 4.092 1.870 1.00 0.00 H new ATOM 0 HA HIS A 36 -10.260 6.217 1.222 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -10.470 3.257 1.808 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -11.845 4.309 2.077 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -10.365 2.291 -0.734 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -12.762 5.245 -2.616 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -11.484 3.067 -2.958 1.00 0.00 H new ATOM 555 N ASN A 37 -9.536 4.888 4.160 1.00 0.00 N ATOM 556 CA ASN A 37 -9.582 5.130 5.598 1.00 0.00 C ATOM 557 C ASN A 37 -8.175 5.219 6.180 1.00 0.00 C ATOM 558 O ASN A 37 -7.242 4.596 5.673 1.00 0.00 O ATOM 559 CB ASN A 37 -10.366 4.018 6.298 1.00 0.00 C ATOM 560 CG ASN A 37 -10.021 3.906 7.770 1.00 0.00 C ATOM 561 OD1 ASN A 37 -9.568 2.860 8.235 1.00 0.00 O ATOM 562 ND2 ASN A 37 -10.235 4.987 8.512 1.00 0.00 N ATOM 0 H ASN A 37 -9.037 4.040 3.891 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.086 6.082 5.765 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -11.434 4.208 6.191 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.160 3.067 5.806 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.022 4.971 9.509 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.612 5.833 8.084 1.00 0.00 H new ATOM 569 N GLU A 38 -8.030 5.997 7.248 1.00 0.00 N ATOM 570 CA GLU A 38 -6.736 6.167 7.899 1.00 0.00 C ATOM 571 C GLU A 38 -6.787 5.683 9.345 1.00 0.00 C ATOM 572 O GLU A 38 -7.365 6.340 10.212 1.00 0.00 O ATOM 573 CB GLU A 38 -6.307 7.635 7.855 1.00 0.00 C ATOM 574 CG GLU A 38 -6.051 8.153 6.450 1.00 0.00 C ATOM 575 CD GLU A 38 -5.853 9.655 6.409 1.00 0.00 C ATOM 576 OE1 GLU A 38 -5.379 10.218 7.418 1.00 0.00 O ATOM 577 OE2 GLU A 38 -6.172 10.268 5.369 1.00 0.00 O ATOM 0 H GLU A 38 -8.792 6.519 7.681 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.004 5.566 7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.080 8.245 8.323 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.401 7.758 8.449 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.167 7.663 6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.890 7.883 5.809 1.00 0.00 H new ATOM 584 N LEU A 39 -6.178 4.530 9.599 1.00 0.00 N ATOM 585 CA LEU A 39 -6.153 3.956 10.940 1.00 0.00 C ATOM 586 C LEU A 39 -5.163 4.698 11.831 1.00 0.00 C ATOM 587 O LEU A 39 -4.410 5.551 11.362 1.00 0.00 O ATOM 588 CB LEU A 39 -5.786 2.473 10.875 1.00 0.00 C ATOM 589 CG LEU A 39 -6.807 1.558 10.197 1.00 0.00 C ATOM 590 CD1 LEU A 39 -8.159 1.663 10.886 1.00 0.00 C ATOM 591 CD2 LEU A 39 -6.932 1.901 8.719 1.00 0.00 C ATOM 0 H LEU A 39 -5.695 3.974 8.894 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.149 4.058 11.371 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.836 2.377 10.349 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.625 2.114 11.892 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.457 0.529 10.283 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.872 1.005 10.390 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.059 1.368 11.931 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.516 2.692 10.832 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.663 1.240 8.253 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.258 2.936 8.612 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.965 1.773 8.233 1.00 0.00 H new ATOM 603 N GLU A 40 -5.168 4.365 13.118 1.00 0.00 N ATOM 604 CA GLU A 40 -4.268 5.000 14.074 1.00 0.00 C ATOM 605 C GLU A 40 -2.899 4.327 14.062 1.00 0.00 C ATOM 606 O GLU A 40 -1.872 4.987 13.903 1.00 0.00 O ATOM 607 CB GLU A 40 -4.864 4.945 15.483 1.00 0.00 C ATOM 608 CG GLU A 40 -5.069 3.531 16.002 1.00 0.00 C ATOM 609 CD GLU A 40 -5.965 3.483 17.224 1.00 0.00 C ATOM 610 OE1 GLU A 40 -7.105 3.985 17.145 1.00 0.00 O ATOM 611 OE2 GLU A 40 -5.524 2.943 18.261 1.00 0.00 O ATOM 0 H GLU A 40 -5.784 3.660 13.522 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.143 6.042 13.780 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.208 5.483 16.167 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.821 5.466 15.484 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.504 2.918 15.213 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.101 3.094 16.248 1.00 0.00 H new ATOM 618 N ASP A 41 -2.893 3.009 14.233 1.00 0.00 N ATOM 619 CA ASP A 41 -1.650 2.246 14.241 1.00 0.00 C ATOM 620 C ASP A 41 -0.720 2.710 13.125 1.00 0.00 C ATOM 621 O ASP A 41 0.493 2.799 13.311 1.00 0.00 O ATOM 622 CB ASP A 41 -1.944 0.752 14.089 1.00 0.00 C ATOM 623 CG ASP A 41 -0.702 -0.051 13.757 1.00 0.00 C ATOM 624 OD1 ASP A 41 -0.108 0.192 12.686 1.00 0.00 O ATOM 625 OD2 ASP A 41 -0.325 -0.923 14.567 1.00 0.00 O ATOM 0 H ASP A 41 -3.734 2.448 14.368 1.00 0.00 H new ATOM 0 HA ASP A 41 -1.154 2.416 15.196 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.381 0.375 15.014 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.686 0.609 13.304 1.00 0.00 H new ATOM 630 N GLY A 42 -1.296 3.003 11.964 1.00 0.00 N ATOM 631 CA GLY A 42 -0.504 3.453 10.834 1.00 0.00 C ATOM 632 C GLY A 42 -0.985 2.871 9.520 1.00 0.00 C ATOM 633 O GLY A 42 -0.525 3.273 8.451 1.00 0.00 O ATOM 0 H GLY A 42 -2.298 2.937 11.785 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.539 4.541 10.780 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.538 3.175 10.991 1.00 0.00 H new ATOM 637 N TRP A 43 -1.911 1.923 9.598 1.00 0.00 N ATOM 638 CA TRP A 43 -2.453 1.283 8.405 1.00 0.00 C ATOM 639 C TRP A 43 -3.528 2.153 7.762 1.00 0.00 C ATOM 640 O TRP A 43 -4.031 3.091 8.380 1.00 0.00 O ATOM 641 CB TRP A 43 -3.031 -0.089 8.754 1.00 0.00 C ATOM 642 CG TRP A 43 -2.041 -1.000 9.415 1.00 0.00 C ATOM 643 CD1 TRP A 43 -1.577 -0.914 10.696 1.00 0.00 C ATOM 644 CD2 TRP A 43 -1.393 -2.133 8.826 1.00 0.00 C ATOM 645 NE1 TRP A 43 -0.679 -1.925 10.940 1.00 0.00 N ATOM 646 CE2 TRP A 43 -0.550 -2.687 9.809 1.00 0.00 C ATOM 647 CE3 TRP A 43 -1.445 -2.734 7.566 1.00 0.00 C ATOM 648 CZ2 TRP A 43 0.235 -3.812 9.568 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -0.665 -3.850 7.328 1.00 0.00 C ATOM 650 CH2 TRP A 43 0.165 -4.380 8.325 1.00 0.00 C ATOM 0 H TRP A 43 -2.303 1.580 10.475 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.640 1.155 7.691 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.889 0.043 9.413 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.399 -0.563 7.844 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.872 -0.162 11.412 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.188 -2.082 11.820 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.083 -2.334 6.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.876 -4.221 10.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.696 -4.322 6.357 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.761 -5.254 8.108 1.00 0.00 H new ATOM 661 N MET A 44 -3.875 1.836 6.519 1.00 0.00 N ATOM 662 CA MET A 44 -4.892 2.588 5.795 1.00 0.00 C ATOM 663 C MET A 44 -5.657 1.684 4.834 1.00 0.00 C ATOM 664 O MET A 44 -5.072 1.088 3.929 1.00 0.00 O ATOM 665 CB MET A 44 -4.250 3.743 5.024 1.00 0.00 C ATOM 666 CG MET A 44 -3.084 4.389 5.756 1.00 0.00 C ATOM 667 SD MET A 44 -2.165 5.542 4.718 1.00 0.00 S ATOM 668 CE MET A 44 -1.336 4.409 3.606 1.00 0.00 C ATOM 0 H MET A 44 -3.467 1.064 5.993 1.00 0.00 H new ATOM 0 HA MET A 44 -5.595 2.992 6.523 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.903 3.376 4.058 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.007 4.501 4.824 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.458 4.916 6.634 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.409 3.611 6.114 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.501 4.918 3.124 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.963 3.554 4.169 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.038 4.065 2.847 1.00 0.00 H new ATOM 678 N TRP A 45 -6.966 1.585 5.036 1.00 0.00 N ATOM 679 CA TRP A 45 -7.810 0.752 4.187 1.00 0.00 C ATOM 680 C TRP A 45 -7.740 1.209 2.734 1.00 0.00 C ATOM 681 O TRP A 45 -8.410 2.164 2.340 1.00 0.00 O ATOM 682 CB TRP A 45 -9.258 0.791 4.677 1.00 0.00 C ATOM 683 CG TRP A 45 -10.098 -0.327 4.138 1.00 0.00 C ATOM 684 CD1 TRP A 45 -10.882 -0.297 3.020 1.00 0.00 C ATOM 685 CD2 TRP A 45 -10.239 -1.638 4.694 1.00 0.00 C ATOM 686 NE1 TRP A 45 -11.502 -1.512 2.848 1.00 0.00 N ATOM 687 CE2 TRP A 45 -11.123 -2.352 3.861 1.00 0.00 C ATOM 688 CE3 TRP A 45 -9.703 -2.280 5.814 1.00 0.00 C ATOM 689 CZ2 TRP A 45 -11.482 -3.673 4.115 1.00 0.00 C ATOM 690 CZ3 TRP A 45 -10.061 -3.591 6.065 1.00 0.00 C ATOM 691 CH2 TRP A 45 -10.943 -4.276 5.218 1.00 0.00 C ATOM 0 H TRP A 45 -7.466 2.071 5.780 1.00 0.00 H new ATOM 0 HA TRP A 45 -7.442 -0.272 4.245 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -9.267 0.750 5.766 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.705 1.743 4.390 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -10.998 0.556 2.367 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -12.141 -1.749 2.089 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -9.021 -1.761 6.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -12.162 -4.203 3.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -9.654 -4.096 6.928 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -11.202 -5.300 5.441 1.00 0.00 H new ATOM 702 N VAL A 46 -6.925 0.521 1.940 1.00 0.00 N ATOM 703 CA VAL A 46 -6.768 0.856 0.530 1.00 0.00 C ATOM 704 C VAL A 46 -7.248 -0.284 -0.362 1.00 0.00 C ATOM 705 O VAL A 46 -7.444 -1.409 0.100 1.00 0.00 O ATOM 706 CB VAL A 46 -5.301 1.177 0.188 1.00 0.00 C ATOM 707 CG1 VAL A 46 -4.663 2.001 1.296 1.00 0.00 C ATOM 708 CG2 VAL A 46 -4.518 -0.104 -0.053 1.00 0.00 C ATOM 0 H VAL A 46 -6.363 -0.272 2.250 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.378 1.741 0.346 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.280 1.766 -0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.627 2.218 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.211 2.936 1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.694 1.440 2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.484 0.142 -0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.545 -0.721 0.845 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.963 -0.652 -0.884 1.00 0.00 H new ATOM 718 N THR A 47 -7.436 0.014 -1.644 1.00 0.00 N ATOM 719 CA THR A 47 -7.894 -0.984 -2.601 1.00 0.00 C ATOM 720 C THR A 47 -6.931 -1.101 -3.777 1.00 0.00 C ATOM 721 O THR A 47 -6.891 -0.232 -4.647 1.00 0.00 O ATOM 722 CB THR A 47 -9.300 -0.648 -3.135 1.00 0.00 C ATOM 723 OG1 THR A 47 -10.202 -0.440 -2.043 1.00 0.00 O ATOM 724 CG2 THR A 47 -9.822 -1.766 -4.025 1.00 0.00 C ATOM 0 H THR A 47 -7.278 0.939 -2.043 1.00 0.00 H new ATOM 0 HA THR A 47 -7.933 -1.935 -2.070 1.00 0.00 H new ATOM 0 HB THR A 47 -9.231 0.264 -3.727 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.093 -0.225 -2.391 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.816 -1.506 -4.390 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.149 -1.902 -4.871 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.876 -2.692 -3.452 1.00 0.00 H new ATOM 732 N ASN A 48 -6.156 -2.181 -3.797 1.00 0.00 N ATOM 733 CA ASN A 48 -5.193 -2.411 -4.867 1.00 0.00 C ATOM 734 C ASN A 48 -5.850 -2.251 -6.234 1.00 0.00 C ATOM 735 O ASN A 48 -6.985 -2.682 -6.444 1.00 0.00 O ATOM 736 CB ASN A 48 -4.584 -3.809 -4.741 1.00 0.00 C ATOM 737 CG ASN A 48 -3.227 -3.911 -5.410 1.00 0.00 C ATOM 738 OD1 ASN A 48 -3.054 -3.493 -6.555 1.00 0.00 O ATOM 739 ND2 ASN A 48 -2.256 -4.469 -4.696 1.00 0.00 N ATOM 0 H ASN A 48 -6.177 -2.910 -3.084 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.401 -1.668 -4.776 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.486 -4.066 -3.686 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.261 -4.539 -5.185 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.321 -4.565 -5.093 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.445 -4.802 -3.750 1.00 0.00 H new ATOM 746 N LEU A 49 -5.130 -1.630 -7.162 1.00 0.00 N ATOM 747 CA LEU A 49 -5.642 -1.413 -8.510 1.00 0.00 C ATOM 748 C LEU A 49 -5.383 -2.630 -9.393 1.00 0.00 C ATOM 749 O LEU A 49 -6.021 -2.803 -10.431 1.00 0.00 O ATOM 750 CB LEU A 49 -4.995 -0.173 -9.130 1.00 0.00 C ATOM 751 CG LEU A 49 -5.545 1.175 -8.662 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.959 2.307 -9.491 1.00 0.00 C ATOM 753 CD2 LEU A 49 -7.065 1.187 -8.740 1.00 0.00 C ATOM 0 H LEU A 49 -4.189 -1.268 -7.005 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.719 -1.258 -8.442 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.926 -0.200 -8.917 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.106 -0.232 -10.213 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.253 1.324 -7.622 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.362 3.258 -9.144 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.874 2.312 -9.385 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.220 2.163 -10.539 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.439 2.154 -8.403 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.378 1.016 -9.770 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.468 0.400 -8.103 1.00 0.00 H new ATOM 765 N ARG A 50 -4.445 -3.472 -8.972 1.00 0.00 N ATOM 766 CA ARG A 50 -4.103 -4.673 -9.723 1.00 0.00 C ATOM 767 C ARG A 50 -5.008 -5.837 -9.329 1.00 0.00 C ATOM 768 O ARG A 50 -5.712 -6.402 -10.167 1.00 0.00 O ATOM 769 CB ARG A 50 -2.639 -5.049 -9.487 1.00 0.00 C ATOM 770 CG ARG A 50 -2.144 -6.168 -10.388 1.00 0.00 C ATOM 771 CD ARG A 50 -2.383 -7.534 -9.762 1.00 0.00 C ATOM 772 NE ARG A 50 -1.309 -7.912 -8.848 1.00 0.00 N ATOM 773 CZ ARG A 50 -1.118 -9.153 -8.413 1.00 0.00 C ATOM 774 NH1 ARG A 50 -1.924 -10.129 -8.807 1.00 0.00 N ATOM 775 NH2 ARG A 50 -0.118 -9.419 -7.582 1.00 0.00 N ATOM 0 H ARG A 50 -3.908 -3.344 -8.114 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.251 -4.463 -10.782 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.017 -4.167 -9.642 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.513 -5.349 -8.447 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.653 -6.114 -11.351 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.079 -6.037 -10.582 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.331 -7.525 -9.224 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.470 -8.283 -10.549 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.671 -7.184 -8.526 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.693 -9.928 -9.446 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.775 -11.081 -8.471 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.504 -8.671 -7.277 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.028 -10.372 -7.248 1.00 0.00 H new ATOM 789 N THR A 51 -4.984 -6.191 -8.048 1.00 0.00 N ATOM 790 CA THR A 51 -5.800 -7.288 -7.543 1.00 0.00 C ATOM 791 C THR A 51 -7.254 -6.861 -7.379 1.00 0.00 C ATOM 792 O THR A 51 -8.154 -7.699 -7.323 1.00 0.00 O ATOM 793 CB THR A 51 -5.272 -7.805 -6.191 1.00 0.00 C ATOM 794 OG1 THR A 51 -5.391 -6.782 -5.196 1.00 0.00 O ATOM 795 CG2 THR A 51 -3.819 -8.240 -6.308 1.00 0.00 C ATOM 0 H THR A 51 -4.408 -5.734 -7.341 1.00 0.00 H new ATOM 0 HA THR A 51 -5.741 -8.091 -8.278 1.00 0.00 H new ATOM 0 HB THR A 51 -5.870 -8.668 -5.898 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.055 -7.118 -4.339 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.468 -8.601 -5.341 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.737 -9.039 -7.045 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.210 -7.392 -6.622 1.00 0.00 H new ATOM 803 N ASP A 52 -7.477 -5.554 -7.303 1.00 0.00 N ATOM 804 CA ASP A 52 -8.823 -5.016 -7.147 1.00 0.00 C ATOM 805 C ASP A 52 -9.482 -5.558 -5.883 1.00 0.00 C ATOM 806 O ASP A 52 -10.639 -5.976 -5.906 1.00 0.00 O ATOM 807 CB ASP A 52 -9.677 -5.358 -8.369 1.00 0.00 C ATOM 808 CG ASP A 52 -9.386 -4.452 -9.550 1.00 0.00 C ATOM 809 OD1 ASP A 52 -9.395 -3.217 -9.368 1.00 0.00 O ATOM 810 OD2 ASP A 52 -9.149 -4.979 -10.657 1.00 0.00 O ATOM 0 H ASP A 52 -6.743 -4.847 -7.347 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.746 -3.932 -7.059 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.497 -6.394 -8.656 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.732 -5.279 -8.105 1.00 0.00 H new ATOM 815 N GLU A 53 -8.737 -5.549 -4.782 1.00 0.00 N ATOM 816 CA GLU A 53 -9.249 -6.042 -3.510 1.00 0.00 C ATOM 817 C GLU A 53 -8.943 -5.060 -2.382 1.00 0.00 C ATOM 818 O GLU A 53 -8.048 -4.224 -2.501 1.00 0.00 O ATOM 819 CB GLU A 53 -8.645 -7.410 -3.187 1.00 0.00 C ATOM 820 CG GLU A 53 -9.087 -8.511 -4.137 1.00 0.00 C ATOM 821 CD GLU A 53 -8.344 -9.813 -3.907 1.00 0.00 C ATOM 822 OE1 GLU A 53 -8.103 -10.160 -2.732 1.00 0.00 O ATOM 823 OE2 GLU A 53 -8.004 -10.485 -4.904 1.00 0.00 O ATOM 0 H GLU A 53 -7.777 -5.206 -4.746 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.331 -6.142 -3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.558 -7.333 -3.214 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.920 -7.688 -2.169 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.157 -8.681 -4.017 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.930 -8.184 -5.165 1.00 0.00 H new ATOM 830 N GLN A 54 -9.694 -5.168 -1.291 1.00 0.00 N ATOM 831 CA GLN A 54 -9.504 -4.289 -0.144 1.00 0.00 C ATOM 832 C GLN A 54 -8.742 -5.002 0.968 1.00 0.00 C ATOM 833 O GLN A 54 -8.884 -6.209 1.156 1.00 0.00 O ATOM 834 CB GLN A 54 -10.856 -3.800 0.380 1.00 0.00 C ATOM 835 CG GLN A 54 -11.728 -3.161 -0.688 1.00 0.00 C ATOM 836 CD GLN A 54 -13.148 -2.919 -0.215 1.00 0.00 C ATOM 837 OE1 GLN A 54 -13.398 -2.762 0.980 1.00 0.00 O ATOM 838 NE2 GLN A 54 -14.087 -2.886 -1.153 1.00 0.00 N ATOM 0 H GLN A 54 -10.439 -5.855 -1.177 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.916 -3.431 -0.469 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.392 -4.642 0.819 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.687 -3.078 1.179 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -11.285 -2.213 -0.994 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.747 -3.803 -1.568 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -13.835 -3.021 -2.132 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -15.061 -2.725 -0.895 1.00 0.00 H new ATOM 847 N GLY A 55 -7.932 -4.246 1.703 1.00 0.00 N ATOM 848 CA GLY A 55 -7.159 -4.823 2.787 1.00 0.00 C ATOM 849 C GLY A 55 -6.513 -3.769 3.664 1.00 0.00 C ATOM 850 O GLY A 55 -7.067 -2.686 3.856 1.00 0.00 O ATOM 0 H GLY A 55 -7.797 -3.244 1.567 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.808 -5.451 3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.386 -5.470 2.373 1.00 0.00 H new ATOM 854 N LEU A 56 -5.339 -4.085 4.199 1.00 0.00 N ATOM 855 CA LEU A 56 -4.616 -3.158 5.062 1.00 0.00 C ATOM 856 C LEU A 56 -3.129 -3.145 4.724 1.00 0.00 C ATOM 857 O LEU A 56 -2.508 -4.198 4.572 1.00 0.00 O ATOM 858 CB LEU A 56 -4.813 -3.537 6.530 1.00 0.00 C ATOM 859 CG LEU A 56 -6.225 -3.351 7.088 1.00 0.00 C ATOM 860 CD1 LEU A 56 -6.388 -4.112 8.394 1.00 0.00 C ATOM 861 CD2 LEU A 56 -6.529 -1.873 7.287 1.00 0.00 C ATOM 0 H LEU A 56 -4.867 -4.977 4.050 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.016 -2.158 4.894 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.529 -4.582 6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.125 -2.945 7.133 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.936 -3.754 6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.399 -3.968 8.776 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.214 -5.174 8.220 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.668 -3.741 9.124 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.538 -1.759 7.684 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.812 -1.445 7.988 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.455 -1.354 6.331 1.00 0.00 H new ATOM 873 N ILE A 57 -2.563 -1.948 4.609 1.00 0.00 N ATOM 874 CA ILE A 57 -1.148 -1.800 4.292 1.00 0.00 C ATOM 875 C ILE A 57 -0.482 -0.786 5.216 1.00 0.00 C ATOM 876 O ILE A 57 -1.156 -0.021 5.905 1.00 0.00 O ATOM 877 CB ILE A 57 -0.942 -1.359 2.831 1.00 0.00 C ATOM 878 CG1 ILE A 57 -1.507 0.046 2.614 1.00 0.00 C ATOM 879 CG2 ILE A 57 -1.595 -2.351 1.881 1.00 0.00 C ATOM 880 CD1 ILE A 57 -0.825 0.807 1.498 1.00 0.00 C ATOM 0 H ILE A 57 -3.063 -1.067 4.731 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.688 -2.777 4.436 1.00 0.00 H new ATOM 0 HB ILE A 57 0.128 -1.336 2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.572 -0.030 2.393 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.413 0.613 3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.441 -2.025 0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.149 -3.336 2.021 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.664 -2.404 2.088 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.277 1.794 1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.235 0.914 1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -0.941 0.261 0.562 1.00 0.00 H new ATOM 892 N VAL A 58 0.848 -0.785 5.223 1.00 0.00 N ATOM 893 CA VAL A 58 1.607 0.136 6.060 1.00 0.00 C ATOM 894 C VAL A 58 2.201 1.269 5.231 1.00 0.00 C ATOM 895 O VAL A 58 2.786 1.037 4.174 1.00 0.00 O ATOM 896 CB VAL A 58 2.742 -0.589 6.807 1.00 0.00 C ATOM 897 CG1 VAL A 58 3.910 -0.858 5.871 1.00 0.00 C ATOM 898 CG2 VAL A 58 3.191 0.224 8.012 1.00 0.00 C ATOM 0 H VAL A 58 1.421 -1.412 4.658 1.00 0.00 H new ATOM 0 HA VAL A 58 0.910 0.550 6.789 1.00 0.00 H new ATOM 0 HB VAL A 58 2.365 -1.547 7.164 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.702 -1.371 6.416 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.576 -1.483 5.043 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.290 0.087 5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.993 -0.303 8.528 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.551 1.198 7.680 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.350 0.361 8.692 1.00 0.00 H new ATOM 908 N GLU A 59 2.046 2.496 5.719 1.00 0.00 N ATOM 909 CA GLU A 59 2.567 3.666 5.022 1.00 0.00 C ATOM 910 C GLU A 59 4.087 3.594 4.898 1.00 0.00 C ATOM 911 O GLU A 59 4.693 4.334 4.124 1.00 0.00 O ATOM 912 CB GLU A 59 2.165 4.947 5.756 1.00 0.00 C ATOM 913 CG GLU A 59 2.808 5.091 7.125 1.00 0.00 C ATOM 914 CD GLU A 59 2.046 6.038 8.031 1.00 0.00 C ATOM 915 OE1 GLU A 59 1.297 6.887 7.505 1.00 0.00 O ATOM 916 OE2 GLU A 59 2.199 5.931 9.266 1.00 0.00 O ATOM 0 H GLU A 59 1.564 2.705 6.593 1.00 0.00 H new ATOM 0 HA GLU A 59 2.138 3.680 4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.437 5.807 5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.081 4.966 5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.869 4.111 7.599 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.830 5.451 7.006 1.00 0.00 H new ATOM 923 N ASP A 60 4.694 2.696 5.667 1.00 0.00 N ATOM 924 CA ASP A 60 6.142 2.526 5.644 1.00 0.00 C ATOM 925 C ASP A 60 6.569 1.663 4.461 1.00 0.00 C ATOM 926 O ASP A 60 7.761 1.487 4.205 1.00 0.00 O ATOM 927 CB ASP A 60 6.624 1.894 6.951 1.00 0.00 C ATOM 928 CG ASP A 60 8.070 1.445 6.880 1.00 0.00 C ATOM 929 OD1 ASP A 60 8.918 2.244 6.428 1.00 0.00 O ATOM 930 OD2 ASP A 60 8.354 0.296 7.275 1.00 0.00 O ATOM 0 H ASP A 60 4.206 2.075 6.313 1.00 0.00 H new ATOM 0 HA ASP A 60 6.597 3.511 5.536 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.510 2.613 7.762 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.993 1.039 7.192 1.00 0.00 H new ATOM 935 N LEU A 61 5.589 1.126 3.743 1.00 0.00 N ATOM 936 CA LEU A 61 5.863 0.280 2.586 1.00 0.00 C ATOM 937 C LEU A 61 5.527 1.007 1.288 1.00 0.00 C ATOM 938 O LEU A 61 6.124 0.743 0.244 1.00 0.00 O ATOM 939 CB LEU A 61 5.061 -1.019 2.679 1.00 0.00 C ATOM 940 CG LEU A 61 5.604 -2.077 3.641 1.00 0.00 C ATOM 941 CD1 LEU A 61 4.563 -3.158 3.889 1.00 0.00 C ATOM 942 CD2 LEU A 61 6.888 -2.685 3.095 1.00 0.00 C ATOM 0 H LEU A 61 4.598 1.261 3.941 1.00 0.00 H new ATOM 0 HA LEU A 61 6.927 0.044 2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.042 -0.773 2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.003 -1.458 1.683 1.00 0.00 H new ATOM 0 HG LEU A 61 5.830 -1.594 4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.967 -3.902 4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.670 -2.710 4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.305 -3.638 2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.260 -3.436 3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.688 -3.153 2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.637 -1.903 2.970 1.00 0.00 H new ATOM 954 N VAL A 62 4.569 1.925 1.361 1.00 0.00 N ATOM 955 CA VAL A 62 4.156 2.693 0.192 1.00 0.00 C ATOM 956 C VAL A 62 4.650 4.133 0.278 1.00 0.00 C ATOM 957 O VAL A 62 5.197 4.551 1.298 1.00 0.00 O ATOM 958 CB VAL A 62 2.623 2.696 0.036 1.00 0.00 C ATOM 959 CG1 VAL A 62 2.104 1.281 -0.163 1.00 0.00 C ATOM 960 CG2 VAL A 62 1.966 3.350 1.242 1.00 0.00 C ATOM 0 H VAL A 62 4.064 2.155 2.217 1.00 0.00 H new ATOM 0 HA VAL A 62 4.602 2.211 -0.678 1.00 0.00 H new ATOM 0 HB VAL A 62 2.366 3.279 -0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.020 1.303 -0.271 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.550 0.853 -1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.370 0.671 0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.883 3.343 1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.229 2.797 2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.314 4.379 1.333 1.00 0.00 H new ATOM 970 N GLU A 63 4.452 4.886 -0.799 1.00 0.00 N ATOM 971 CA GLU A 63 4.878 6.280 -0.845 1.00 0.00 C ATOM 972 C GLU A 63 3.688 7.205 -1.082 1.00 0.00 C ATOM 973 O GLU A 63 2.546 6.755 -1.164 1.00 0.00 O ATOM 974 CB GLU A 63 5.922 6.481 -1.945 1.00 0.00 C ATOM 975 CG GLU A 63 5.388 6.225 -3.345 1.00 0.00 C ATOM 976 CD GLU A 63 6.485 6.187 -4.390 1.00 0.00 C ATOM 977 OE1 GLU A 63 7.387 7.049 -4.334 1.00 0.00 O ATOM 978 OE2 GLU A 63 6.443 5.295 -5.263 1.00 0.00 O ATOM 0 H GLU A 63 4.000 4.555 -1.651 1.00 0.00 H new ATOM 0 HA GLU A 63 5.323 6.529 0.118 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.302 7.501 -1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.766 5.816 -1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.848 5.278 -3.356 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.671 7.004 -3.604 1.00 0.00 H new ATOM 985 N GLU A 64 3.965 8.501 -1.189 1.00 0.00 N ATOM 986 CA GLU A 64 2.917 9.490 -1.414 1.00 0.00 C ATOM 987 C GLU A 64 2.911 9.953 -2.868 1.00 0.00 C ATOM 988 O GLU A 64 3.910 10.466 -3.373 1.00 0.00 O ATOM 989 CB GLU A 64 3.110 10.691 -0.486 1.00 0.00 C ATOM 990 CG GLU A 64 2.617 10.450 0.931 1.00 0.00 C ATOM 991 CD GLU A 64 2.627 11.710 1.775 1.00 0.00 C ATOM 992 OE1 GLU A 64 1.607 12.429 1.777 1.00 0.00 O ATOM 993 OE2 GLU A 64 3.655 11.977 2.431 1.00 0.00 O ATOM 0 H GLU A 64 4.906 8.890 -1.124 1.00 0.00 H new ATOM 0 HA GLU A 64 1.957 9.022 -1.195 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.169 10.949 -0.455 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.585 11.550 -0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.604 10.049 0.896 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.243 9.694 1.406 1.00 0.00 H new ATOM 1000 N VAL A 65 1.777 9.768 -3.537 1.00 0.00 N ATOM 1001 CA VAL A 65 1.638 10.167 -4.932 1.00 0.00 C ATOM 1002 C VAL A 65 0.549 11.221 -5.097 1.00 0.00 C ATOM 1003 O VAL A 65 -0.603 10.898 -5.388 1.00 0.00 O ATOM 1004 CB VAL A 65 1.310 8.960 -5.831 1.00 0.00 C ATOM 1005 CG1 VAL A 65 1.118 9.404 -7.273 1.00 0.00 C ATOM 1006 CG2 VAL A 65 2.403 7.907 -5.730 1.00 0.00 C ATOM 0 H VAL A 65 0.941 9.344 -3.135 1.00 0.00 H new ATOM 0 HA VAL A 65 2.596 10.588 -5.237 1.00 0.00 H new ATOM 0 HB VAL A 65 0.377 8.516 -5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.887 8.538 -7.893 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.297 10.118 -7.327 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.033 9.875 -7.634 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.154 7.062 -6.372 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.353 8.337 -6.048 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.486 7.567 -4.698 1.00 0.00 H new ATOM 1016 N SER A 66 0.921 12.483 -4.911 1.00 0.00 N ATOM 1017 CA SER A 66 -0.025 13.586 -5.035 1.00 0.00 C ATOM 1018 C SER A 66 -0.272 13.926 -6.502 1.00 0.00 C ATOM 1019 O SER A 66 -1.406 13.886 -6.977 1.00 0.00 O ATOM 1020 CB SER A 66 0.496 14.819 -4.295 1.00 0.00 C ATOM 1021 OG SER A 66 -0.418 15.897 -4.394 1.00 0.00 O ATOM 0 H SER A 66 1.871 12.768 -4.674 1.00 0.00 H new ATOM 0 HA SER A 66 -0.969 13.275 -4.587 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.662 14.574 -3.246 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.459 15.116 -4.710 1.00 0.00 H new ATOM 0 HG SER A 66 -0.063 16.672 -3.911 1.00 0.00 H new ATOM 1027 N GLY A 67 0.799 14.260 -7.214 1.00 0.00 N ATOM 1028 CA GLY A 67 0.679 14.603 -8.619 1.00 0.00 C ATOM 1029 C GLY A 67 0.342 13.403 -9.482 1.00 0.00 C ATOM 1030 O GLY A 67 0.647 12.260 -9.140 1.00 0.00 O ATOM 0 H GLY A 67 1.748 14.299 -6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.094 15.362 -8.740 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.615 15.043 -8.964 1.00 0.00 H new ATOM 1034 N PRO A 68 -0.305 13.657 -10.629 1.00 0.00 N ATOM 1035 CA PRO A 68 -0.699 12.600 -11.566 1.00 0.00 C ATOM 1036 C PRO A 68 0.500 11.971 -12.267 1.00 0.00 C ATOM 1037 O PRO A 68 1.547 12.602 -12.415 1.00 0.00 O ATOM 1038 CB PRO A 68 -1.584 13.334 -12.577 1.00 0.00 C ATOM 1039 CG PRO A 68 -1.127 14.751 -12.522 1.00 0.00 C ATOM 1040 CD PRO A 68 -0.701 14.994 -11.100 1.00 0.00 C ATOM 0 HA PRO A 68 -1.199 11.774 -11.061 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.469 12.919 -13.578 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.639 13.248 -12.316 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.300 14.921 -13.212 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -1.928 15.431 -12.811 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.127 15.701 -11.044 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.514 15.406 -10.502 1.00 0.00 H new ATOM 1048 N SER A 69 0.340 10.723 -12.698 1.00 0.00 N ATOM 1049 CA SER A 69 1.411 10.007 -13.381 1.00 0.00 C ATOM 1050 C SER A 69 0.891 9.329 -14.645 1.00 0.00 C ATOM 1051 O SER A 69 -0.141 8.658 -14.623 1.00 0.00 O ATOM 1052 CB SER A 69 2.032 8.965 -12.448 1.00 0.00 C ATOM 1053 OG SER A 69 1.144 7.884 -12.227 1.00 0.00 O ATOM 0 H SER A 69 -0.521 10.187 -12.586 1.00 0.00 H new ATOM 0 HA SER A 69 2.175 10.731 -13.666 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.961 8.594 -12.880 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.287 9.431 -11.496 1.00 0.00 H new ATOM 0 HG SER A 69 1.565 7.232 -11.629 1.00 0.00 H new ATOM 1059 N SER A 70 1.614 9.509 -15.745 1.00 0.00 N ATOM 1060 CA SER A 70 1.225 8.918 -17.020 1.00 0.00 C ATOM 1061 C SER A 70 2.073 7.688 -17.331 1.00 0.00 C ATOM 1062 O SER A 70 3.221 7.587 -16.899 1.00 0.00 O ATOM 1063 CB SER A 70 1.365 9.945 -18.146 1.00 0.00 C ATOM 1064 OG SER A 70 2.727 10.252 -18.390 1.00 0.00 O ATOM 0 H SER A 70 2.472 10.059 -15.779 1.00 0.00 H new ATOM 0 HA SER A 70 0.182 8.610 -16.946 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.908 9.556 -19.056 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.826 10.855 -17.882 1.00 0.00 H new ATOM 0 HG SER A 70 2.790 10.909 -19.115 1.00 0.00 H new ATOM 1070 N GLY A 71 1.498 6.755 -18.083 1.00 0.00 N ATOM 1071 CA GLY A 71 2.213 5.543 -18.438 1.00 0.00 C ATOM 1072 C GLY A 71 1.282 4.413 -18.827 1.00 0.00 C ATOM 1073 O GLY A 71 0.133 4.368 -18.388 1.00 0.00 O ATOM 0 H GLY A 71 0.549 6.817 -18.453 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.890 5.754 -19.266 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.829 5.228 -17.596 1.00 0.00 H new TER 1077 GLY A 71