USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 585 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 11 LYS NZ :NH3+ 166:sc= 0.264 (180deg=0) USER MOD Set 1.2: A 29 ASN : amide:sc= 0.227 K(o=0.49,f=-6.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 38 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0173) USER MOD Single : A 41 HIS : no HD1:sc= -0.635 K(o=-0.64,f=-0.056) USER MOD Single : A 42 CYS SG : rot -124:sc= 1.17 USER MOD Single : A 48 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.014) USER MOD Single : A 57 LYS NZ :NH3+ 177:sc= -1.14 (180deg=-1.33) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -156:sc= -0.0923 (180deg=-0.437) USER MOD Single : A 69 TYR OH : rot 180:sc=-0.00759 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -57:sc= 0.00571 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.258 -8.516 -1.484 1.00 0.00 N ATOM 2 CA GLY A 1 12.020 -7.815 -1.771 1.00 0.00 C ATOM 3 C GLY A 1 11.273 -7.419 -0.514 1.00 0.00 C ATOM 4 O GLY A 1 11.221 -6.240 -0.161 1.00 0.00 O ATOM 0 H1 GLY A 1 13.731 -8.765 -2.376 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.882 -7.903 -0.921 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.050 -9.383 -0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.239 -6.922 -2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.381 -8.449 -2.385 1.00 0.00 H new ATOM 8 N SER A 2 10.690 -8.403 0.161 1.00 0.00 N ATOM 9 CA SER A 2 9.938 -8.149 1.384 1.00 0.00 C ATOM 10 C SER A 2 10.805 -8.393 2.618 1.00 0.00 C ATOM 11 O SER A 2 11.744 -9.186 2.582 1.00 0.00 O ATOM 12 CB SER A 2 8.695 -9.041 1.437 1.00 0.00 C ATOM 13 OG SER A 2 7.788 -8.593 2.429 1.00 0.00 O ATOM 0 H SER A 2 10.724 -9.384 -0.118 1.00 0.00 H new ATOM 0 HA SER A 2 9.629 -7.104 1.380 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.203 -9.043 0.464 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.990 -10.069 1.647 1.00 0.00 H new ATOM 0 HG SER A 2 7.002 -9.178 2.442 1.00 0.00 H new ATOM 19 N SER A 3 10.482 -7.701 3.705 1.00 0.00 N ATOM 20 CA SER A 3 11.232 -7.838 4.948 1.00 0.00 C ATOM 21 C SER A 3 10.324 -8.304 6.082 1.00 0.00 C ATOM 22 O SER A 3 9.665 -7.499 6.737 1.00 0.00 O ATOM 23 CB SER A 3 11.887 -6.506 5.320 1.00 0.00 C ATOM 24 OG SER A 3 12.700 -6.025 4.263 1.00 0.00 O ATOM 0 H SER A 3 9.706 -7.040 3.751 1.00 0.00 H new ATOM 0 HA SER A 3 12.008 -8.588 4.795 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.117 -5.771 5.554 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.491 -6.632 6.219 1.00 0.00 H new ATOM 0 HG SER A 3 13.106 -5.172 4.525 1.00 0.00 H new ATOM 30 N GLY A 4 10.297 -9.614 6.309 1.00 0.00 N ATOM 31 CA GLY A 4 9.466 -10.168 7.362 1.00 0.00 C ATOM 32 C GLY A 4 8.290 -10.957 6.821 1.00 0.00 C ATOM 33 O GLY A 4 8.432 -11.720 5.866 1.00 0.00 O ATOM 0 H GLY A 4 10.836 -10.301 5.782 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.072 -10.815 7.996 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.097 -9.359 7.992 1.00 0.00 H new ATOM 37 N SER A 5 7.125 -10.774 7.433 1.00 0.00 N ATOM 38 CA SER A 5 5.920 -11.478 7.013 1.00 0.00 C ATOM 39 C SER A 5 4.772 -10.499 6.778 1.00 0.00 C ATOM 40 O SER A 5 4.025 -10.622 5.808 1.00 0.00 O ATOM 41 CB SER A 5 5.515 -12.515 8.061 1.00 0.00 C ATOM 42 OG SER A 5 6.344 -13.662 7.990 1.00 0.00 O ATOM 0 H SER A 5 6.990 -10.143 8.223 1.00 0.00 H new ATOM 0 HA SER A 5 6.137 -11.988 6.075 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.581 -12.076 9.056 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.475 -12.804 7.908 1.00 0.00 H new ATOM 0 HG SER A 5 6.066 -14.309 8.671 1.00 0.00 H new ATOM 48 N SER A 6 4.639 -9.530 7.677 1.00 0.00 N ATOM 49 CA SER A 6 3.580 -8.532 7.572 1.00 0.00 C ATOM 50 C SER A 6 3.849 -7.574 6.416 1.00 0.00 C ATOM 51 O SER A 6 4.797 -6.790 6.449 1.00 0.00 O ATOM 52 CB SER A 6 3.459 -7.748 8.880 1.00 0.00 C ATOM 53 OG SER A 6 3.335 -8.621 9.989 1.00 0.00 O ATOM 0 H SER A 6 5.250 -9.414 8.485 1.00 0.00 H new ATOM 0 HA SER A 6 2.642 -9.052 7.379 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.336 -7.113 9.009 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.592 -7.089 8.834 1.00 0.00 H new ATOM 0 HG SER A 6 3.261 -8.095 10.813 1.00 0.00 H new ATOM 59 N GLY A 7 3.005 -7.643 5.390 1.00 0.00 N ATOM 60 CA GLY A 7 3.167 -6.778 4.236 1.00 0.00 C ATOM 61 C GLY A 7 1.851 -6.478 3.546 1.00 0.00 C ATOM 62 O GLY A 7 1.167 -7.388 3.079 1.00 0.00 O ATOM 0 H GLY A 7 2.212 -8.283 5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.631 -5.843 4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.847 -7.249 3.526 1.00 0.00 H new ATOM 66 N ARG A 8 1.495 -5.200 3.485 1.00 0.00 N ATOM 67 CA ARG A 8 0.249 -4.783 2.850 1.00 0.00 C ATOM 68 C ARG A 8 0.528 -3.937 1.612 1.00 0.00 C ATOM 69 O ARG A 8 1.651 -3.478 1.400 1.00 0.00 O ATOM 70 CB ARG A 8 -0.611 -3.992 3.837 1.00 0.00 C ATOM 71 CG ARG A 8 -1.475 -4.868 4.729 1.00 0.00 C ATOM 72 CD ARG A 8 -2.720 -4.131 5.197 1.00 0.00 C ATOM 73 NE ARG A 8 -3.446 -4.879 6.222 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.532 -4.419 6.833 1.00 0.00 C ATOM 75 NH1 ARG A 8 -5.016 -3.224 6.525 1.00 0.00 N ATOM 76 NH2 ARG A 8 -5.136 -5.158 7.756 1.00 0.00 N ATOM 0 H ARG A 8 2.051 -4.435 3.867 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.292 -5.679 2.544 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.039 -3.380 4.463 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.253 -3.309 3.281 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.766 -5.767 4.186 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.896 -5.191 5.594 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.437 -3.156 5.592 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.377 -3.952 4.346 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.100 -5.803 6.482 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.554 -2.654 5.816 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.850 -2.875 6.997 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.766 -6.078 7.995 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.970 -4.806 8.226 1.00 0.00 H new ATOM 90 N ARG A 9 -0.501 -3.736 0.795 1.00 0.00 N ATOM 91 CA ARG A 9 -0.368 -2.947 -0.424 1.00 0.00 C ATOM 92 C ARG A 9 -1.655 -2.188 -0.724 1.00 0.00 C ATOM 93 O ARG A 9 -2.751 -2.658 -0.418 1.00 0.00 O ATOM 94 CB ARG A 9 -0.009 -3.852 -1.604 1.00 0.00 C ATOM 95 CG ARG A 9 1.269 -4.649 -1.395 1.00 0.00 C ATOM 96 CD ARG A 9 1.817 -5.176 -2.711 1.00 0.00 C ATOM 97 NE ARG A 9 2.755 -6.279 -2.510 1.00 0.00 N ATOM 98 CZ ARG A 9 2.380 -7.520 -2.222 1.00 0.00 C ATOM 99 NH1 ARG A 9 1.093 -7.817 -2.104 1.00 0.00 N ATOM 100 NH2 ARG A 9 3.293 -8.468 -2.054 1.00 0.00 N ATOM 0 H ARG A 9 -1.437 -4.109 0.955 1.00 0.00 H new ATOM 0 HA ARG A 9 0.432 -2.223 -0.273 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.832 -4.543 -1.784 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.097 -3.241 -2.500 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.017 -4.019 -0.914 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.073 -5.483 -0.721 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.992 -5.512 -3.339 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.316 -4.368 -3.246 1.00 0.00 H new ATOM 0 HE ARG A 9 3.753 -6.085 -2.596 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.388 -7.091 -2.235 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.808 -8.771 -1.883 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.284 -8.244 -2.146 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.004 -9.421 -1.833 1.00 0.00 H new ATOM 114 N ALA A 10 -1.517 -1.010 -1.323 1.00 0.00 N ATOM 115 CA ALA A 10 -2.668 -0.185 -1.666 1.00 0.00 C ATOM 116 C ALA A 10 -2.585 0.303 -3.108 1.00 0.00 C ATOM 117 O ALA A 10 -1.494 0.498 -3.647 1.00 0.00 O ATOM 118 CB ALA A 10 -2.775 0.996 -0.713 1.00 0.00 C ATOM 0 H ALA A 10 -0.617 -0.605 -1.581 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.564 -0.799 -1.569 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.639 1.603 -0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.891 0.631 0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.871 1.601 -0.781 1.00 0.00 H new ATOM 124 N LYS A 11 -3.742 0.499 -3.730 1.00 0.00 N ATOM 125 CA LYS A 11 -3.801 0.965 -5.110 1.00 0.00 C ATOM 126 C LYS A 11 -4.033 2.472 -5.167 1.00 0.00 C ATOM 127 O LYS A 11 -4.953 2.992 -4.536 1.00 0.00 O ATOM 128 CB LYS A 11 -4.914 0.238 -5.869 1.00 0.00 C ATOM 129 CG LYS A 11 -4.771 0.316 -7.379 1.00 0.00 C ATOM 130 CD LYS A 11 -6.078 -0.017 -8.080 1.00 0.00 C ATOM 131 CE LYS A 11 -7.029 1.170 -8.081 1.00 0.00 C ATOM 132 NZ LYS A 11 -6.667 2.170 -9.123 1.00 0.00 N ATOM 0 H LYS A 11 -4.653 0.342 -3.299 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.844 0.745 -5.582 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.924 -0.809 -5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.876 0.662 -5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.449 1.318 -7.664 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.994 -0.374 -7.708 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.874 -0.322 -9.106 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.552 -0.864 -7.584 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.047 0.820 -8.252 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.016 1.646 -7.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.456 2.835 -9.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.820 2.693 -8.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.472 1.681 -10.020 1.00 0.00 H new ATOM 146 N ALA A 12 -3.194 3.167 -5.926 1.00 0.00 N ATOM 147 CA ALA A 12 -3.311 4.613 -6.068 1.00 0.00 C ATOM 148 C ALA A 12 -4.498 4.986 -6.949 1.00 0.00 C ATOM 149 O ALA A 12 -4.436 4.870 -8.173 1.00 0.00 O ATOM 150 CB ALA A 12 -2.024 5.193 -6.639 1.00 0.00 C ATOM 0 H ALA A 12 -2.425 2.752 -6.453 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.481 5.037 -5.078 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.125 6.274 -6.740 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.194 4.967 -5.969 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.830 4.754 -7.618 1.00 0.00 H new ATOM 156 N LEU A 13 -5.580 5.430 -6.317 1.00 0.00 N ATOM 157 CA LEU A 13 -6.783 5.819 -7.045 1.00 0.00 C ATOM 158 C LEU A 13 -6.514 7.026 -7.939 1.00 0.00 C ATOM 159 O LEU A 13 -7.215 7.249 -8.925 1.00 0.00 O ATOM 160 CB LEU A 13 -7.914 6.136 -6.065 1.00 0.00 C ATOM 161 CG LEU A 13 -8.184 5.087 -4.988 1.00 0.00 C ATOM 162 CD1 LEU A 13 -9.142 5.631 -3.939 1.00 0.00 C ATOM 163 CD2 LEU A 13 -8.740 3.814 -5.610 1.00 0.00 C ATOM 0 H LEU A 13 -5.649 5.529 -5.304 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.082 4.983 -7.678 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.687 7.082 -5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.831 6.286 -6.636 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.240 4.847 -4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.322 4.869 -3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.706 6.513 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.086 5.901 -4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.926 3.078 -4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.673 4.039 -6.126 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.019 3.412 -6.322 1.00 0.00 H new ATOM 175 N LEU A 14 -5.494 7.800 -7.586 1.00 0.00 N ATOM 176 CA LEU A 14 -5.130 8.983 -8.357 1.00 0.00 C ATOM 177 C LEU A 14 -3.646 9.298 -8.202 1.00 0.00 C ATOM 178 O LEU A 14 -2.937 8.641 -7.441 1.00 0.00 O ATOM 179 CB LEU A 14 -5.967 10.183 -7.911 1.00 0.00 C ATOM 180 CG LEU A 14 -5.696 10.704 -6.499 1.00 0.00 C ATOM 181 CD1 LEU A 14 -4.612 11.769 -6.523 1.00 0.00 C ATOM 182 CD2 LEU A 14 -6.973 11.252 -5.880 1.00 0.00 C ATOM 0 H LEU A 14 -4.905 7.630 -6.771 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.331 8.778 -9.408 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.801 10.998 -8.615 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.020 9.912 -7.980 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.346 9.874 -5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.432 12.128 -5.510 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.693 11.343 -6.925 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.932 12.600 -7.151 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.762 11.619 -4.875 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.352 12.070 -6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.721 10.461 -5.828 1.00 0.00 H new ATOM 194 N ASP A 15 -3.183 10.311 -8.928 1.00 0.00 N ATOM 195 CA ASP A 15 -1.783 10.715 -8.869 1.00 0.00 C ATOM 196 C ASP A 15 -1.530 11.622 -7.668 1.00 0.00 C ATOM 197 O ASP A 15 -2.294 12.552 -7.406 1.00 0.00 O ATOM 198 CB ASP A 15 -1.383 11.435 -10.159 1.00 0.00 C ATOM 199 CG ASP A 15 -0.235 12.402 -9.950 1.00 0.00 C ATOM 200 OD1 ASP A 15 0.699 12.060 -9.196 1.00 0.00 O ATOM 201 OD2 ASP A 15 -0.270 13.501 -10.542 1.00 0.00 O ATOM 0 H ASP A 15 -3.756 10.866 -9.563 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.175 9.817 -8.759 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.101 10.698 -10.911 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.244 11.977 -10.551 1.00 0.00 H new ATOM 206 N PHE A 16 -0.453 11.345 -6.940 1.00 0.00 N ATOM 207 CA PHE A 16 -0.100 12.133 -5.765 1.00 0.00 C ATOM 208 C PHE A 16 1.284 12.755 -5.924 1.00 0.00 C ATOM 209 O PHE A 16 2.292 12.050 -5.965 1.00 0.00 O ATOM 210 CB PHE A 16 -0.138 11.258 -4.509 1.00 0.00 C ATOM 211 CG PHE A 16 0.166 12.013 -3.245 1.00 0.00 C ATOM 212 CD1 PHE A 16 -0.587 13.119 -2.885 1.00 0.00 C ATOM 213 CD2 PHE A 16 1.204 11.616 -2.419 1.00 0.00 C ATOM 214 CE1 PHE A 16 -0.310 13.814 -1.725 1.00 0.00 C ATOM 215 CE2 PHE A 16 1.485 12.307 -1.256 1.00 0.00 C ATOM 216 CZ PHE A 16 0.727 13.409 -0.909 1.00 0.00 C ATOM 0 H PHE A 16 0.191 10.580 -7.143 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.830 12.936 -5.663 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.124 10.802 -4.423 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.580 10.445 -4.620 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.400 13.441 -3.519 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.801 10.757 -2.687 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.905 14.675 -1.456 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.296 11.986 -0.619 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.945 13.952 -0.001 1.00 0.00 H new ATOM 226 N GLU A 17 1.322 14.080 -6.014 1.00 0.00 N ATOM 227 CA GLU A 17 2.582 14.799 -6.170 1.00 0.00 C ATOM 228 C GLU A 17 3.163 15.179 -4.811 1.00 0.00 C ATOM 229 O GLU A 17 2.818 16.217 -4.245 1.00 0.00 O ATOM 230 CB GLU A 17 2.377 16.055 -7.019 1.00 0.00 C ATOM 231 CG GLU A 17 2.461 15.800 -8.514 1.00 0.00 C ATOM 232 CD GLU A 17 1.130 15.381 -9.109 1.00 0.00 C ATOM 233 OE1 GLU A 17 0.415 14.587 -8.464 1.00 0.00 O ATOM 234 OE2 GLU A 17 0.806 15.847 -10.221 1.00 0.00 O ATOM 0 H GLU A 17 0.496 14.678 -5.982 1.00 0.00 H new ATOM 0 HA GLU A 17 3.287 14.139 -6.676 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.403 16.485 -6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.127 16.796 -6.743 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.810 16.703 -9.014 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.201 15.023 -8.706 1.00 0.00 H new ATOM 241 N ARG A 18 4.046 14.332 -4.293 1.00 0.00 N ATOM 242 CA ARG A 18 4.674 14.577 -3.001 1.00 0.00 C ATOM 243 C ARG A 18 5.103 16.035 -2.872 1.00 0.00 C ATOM 244 O ARG A 18 5.922 16.523 -3.653 1.00 0.00 O ATOM 245 CB ARG A 18 5.884 13.660 -2.815 1.00 0.00 C ATOM 246 CG ARG A 18 7.114 14.111 -3.585 1.00 0.00 C ATOM 247 CD ARG A 18 8.124 12.984 -3.732 1.00 0.00 C ATOM 248 NE ARG A 18 9.232 13.353 -4.609 1.00 0.00 N ATOM 249 CZ ARG A 18 9.122 13.453 -5.928 1.00 0.00 C ATOM 250 NH1 ARG A 18 7.961 13.213 -6.521 1.00 0.00 N ATOM 251 NH2 ARG A 18 10.177 13.794 -6.659 1.00 0.00 N ATOM 0 H ARG A 18 4.343 13.469 -4.749 1.00 0.00 H new ATOM 0 HA ARG A 18 3.941 14.362 -2.223 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.129 13.607 -1.754 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.617 12.652 -3.132 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.817 14.466 -4.572 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.578 14.952 -3.070 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.513 12.715 -2.750 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.626 12.100 -4.130 1.00 0.00 H new ATOM 0 HE ARG A 18 10.140 13.544 -4.185 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.148 12.950 -5.963 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.880 13.291 -7.535 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.072 13.979 -6.207 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.092 13.871 -7.673 1.00 0.00 H new ATOM 265 N HIS A 19 4.545 16.726 -1.885 1.00 0.00 N ATOM 266 CA HIS A 19 4.870 18.130 -1.655 1.00 0.00 C ATOM 267 C HIS A 19 6.072 18.264 -0.725 1.00 0.00 C ATOM 268 O HIS A 19 6.268 19.302 -0.093 1.00 0.00 O ATOM 269 CB HIS A 19 3.667 18.864 -1.061 1.00 0.00 C ATOM 270 CG HIS A 19 3.608 20.314 -1.428 1.00 0.00 C ATOM 271 ND1 HIS A 19 3.216 20.761 -2.671 1.00 0.00 N ATOM 272 CD2 HIS A 19 3.895 21.423 -0.704 1.00 0.00 C ATOM 273 CE1 HIS A 19 3.264 22.080 -2.699 1.00 0.00 C ATOM 274 NE2 HIS A 19 3.674 22.507 -1.518 1.00 0.00 N ATOM 0 H HIS A 19 3.865 16.338 -1.231 1.00 0.00 H new ATOM 0 HA HIS A 19 5.123 18.580 -2.615 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.752 18.376 -1.396 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.697 18.774 0.025 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.234 21.450 0.321 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.011 22.704 -3.544 1.00 0.00 H new ATOM 0 HE2 HIS A 19 3.805 23.483 -1.254 1.00 0.00 H new ATOM 283 N ASP A 20 6.873 17.207 -0.646 1.00 0.00 N ATOM 284 CA ASP A 20 8.056 17.207 0.205 1.00 0.00 C ATOM 285 C ASP A 20 9.020 16.097 -0.201 1.00 0.00 C ATOM 286 O ASP A 20 8.605 15.066 -0.736 1.00 0.00 O ATOM 287 CB ASP A 20 7.655 17.039 1.672 1.00 0.00 C ATOM 288 CG ASP A 20 8.734 17.511 2.626 1.00 0.00 C ATOM 289 OD1 ASP A 20 9.437 18.486 2.289 1.00 0.00 O ATOM 290 OD2 ASP A 20 8.877 16.907 3.709 1.00 0.00 O ATOM 0 H ASP A 20 6.724 16.339 -1.161 1.00 0.00 H new ATOM 0 HA ASP A 20 8.561 18.165 0.081 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.738 17.597 1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.435 15.989 1.867 1.00 0.00 H new ATOM 295 N ASP A 21 10.306 16.313 0.052 1.00 0.00 N ATOM 296 CA ASP A 21 11.327 15.331 -0.289 1.00 0.00 C ATOM 297 C ASP A 21 11.065 14.005 0.419 1.00 0.00 C ATOM 298 O ASP A 21 11.464 12.943 -0.061 1.00 0.00 O ATOM 299 CB ASP A 21 12.715 15.857 0.084 1.00 0.00 C ATOM 300 CG ASP A 21 13.087 17.106 -0.688 1.00 0.00 C ATOM 301 OD1 ASP A 21 12.204 17.969 -0.883 1.00 0.00 O ATOM 302 OD2 ASP A 21 14.260 17.222 -1.099 1.00 0.00 O ATOM 0 H ASP A 21 10.666 17.160 0.492 1.00 0.00 H new ATOM 0 HA ASP A 21 11.288 15.161 -1.365 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.744 16.072 1.152 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.457 15.082 -0.106 1.00 0.00 H new ATOM 307 N ASP A 22 10.395 14.075 1.564 1.00 0.00 N ATOM 308 CA ASP A 22 10.079 12.881 2.338 1.00 0.00 C ATOM 309 C ASP A 22 8.772 12.253 1.863 1.00 0.00 C ATOM 310 O ASP A 22 8.670 11.034 1.735 1.00 0.00 O ATOM 311 CB ASP A 22 9.982 13.222 3.827 1.00 0.00 C ATOM 312 CG ASP A 22 11.331 13.190 4.517 1.00 0.00 C ATOM 313 OD1 ASP A 22 11.927 12.095 4.602 1.00 0.00 O ATOM 314 OD2 ASP A 22 11.791 14.258 4.973 1.00 0.00 O ATOM 0 H ASP A 22 10.060 14.946 1.976 1.00 0.00 H new ATOM 0 HA ASP A 22 10.883 12.160 2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.542 14.212 3.942 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.310 12.516 4.315 1.00 0.00 H new ATOM 319 N GLU A 23 7.777 13.095 1.604 1.00 0.00 N ATOM 320 CA GLU A 23 6.477 12.623 1.144 1.00 0.00 C ATOM 321 C GLU A 23 6.634 11.642 -0.015 1.00 0.00 C ATOM 322 O GLU A 23 7.362 11.906 -0.971 1.00 0.00 O ATOM 323 CB GLU A 23 5.602 13.802 0.714 1.00 0.00 C ATOM 324 CG GLU A 23 4.808 14.418 1.854 1.00 0.00 C ATOM 325 CD GLU A 23 3.806 15.451 1.374 1.00 0.00 C ATOM 326 OE1 GLU A 23 3.024 15.136 0.453 1.00 0.00 O ATOM 327 OE2 GLU A 23 3.804 16.574 1.920 1.00 0.00 O ATOM 0 H GLU A 23 7.847 14.108 1.705 1.00 0.00 H new ATOM 0 HA GLU A 23 5.993 12.106 1.973 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.234 14.569 0.267 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.911 13.468 -0.060 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.282 13.630 2.393 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.495 14.884 2.560 1.00 0.00 H new ATOM 334 N LEU A 24 5.943 10.511 0.078 1.00 0.00 N ATOM 335 CA LEU A 24 6.006 9.489 -0.962 1.00 0.00 C ATOM 336 C LEU A 24 4.936 9.726 -2.022 1.00 0.00 C ATOM 337 O LEU A 24 3.744 9.564 -1.764 1.00 0.00 O ATOM 338 CB LEU A 24 5.835 8.099 -0.349 1.00 0.00 C ATOM 339 CG LEU A 24 6.032 6.917 -1.299 1.00 0.00 C ATOM 340 CD1 LEU A 24 7.486 6.821 -1.736 1.00 0.00 C ATOM 341 CD2 LEU A 24 5.584 5.621 -0.641 1.00 0.00 C ATOM 0 H LEU A 24 5.333 10.278 0.862 1.00 0.00 H new ATOM 0 HA LEU A 24 6.984 9.550 -1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.541 7.998 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.834 8.033 0.078 1.00 0.00 H new ATOM 0 HG LEU A 24 5.417 7.081 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.608 5.974 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.773 7.739 -2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 24 8.120 6.681 -0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.732 4.792 -1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.170 5.450 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.528 5.692 -0.380 1.00 0.00 H new ATOM 353 N GLY A 25 5.370 10.111 -3.219 1.00 0.00 N ATOM 354 CA GLY A 25 4.437 10.362 -4.302 1.00 0.00 C ATOM 355 C GLY A 25 4.213 9.139 -5.170 1.00 0.00 C ATOM 356 O GLY A 25 4.956 8.163 -5.081 1.00 0.00 O ATOM 0 H GLY A 25 6.351 10.253 -3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.483 10.689 -3.887 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.813 11.178 -4.919 1.00 0.00 H new ATOM 360 N PHE A 26 3.185 9.193 -6.009 1.00 0.00 N ATOM 361 CA PHE A 26 2.862 8.080 -6.894 1.00 0.00 C ATOM 362 C PHE A 26 1.958 8.537 -8.036 1.00 0.00 C ATOM 363 O PHE A 26 1.591 9.709 -8.119 1.00 0.00 O ATOM 364 CB PHE A 26 2.184 6.956 -6.110 1.00 0.00 C ATOM 365 CG PHE A 26 1.292 7.450 -5.006 1.00 0.00 C ATOM 366 CD1 PHE A 26 -0.047 7.711 -5.245 1.00 0.00 C ATOM 367 CD2 PHE A 26 1.794 7.650 -3.731 1.00 0.00 C ATOM 368 CE1 PHE A 26 -0.870 8.164 -4.230 1.00 0.00 C ATOM 369 CE2 PHE A 26 0.976 8.103 -2.713 1.00 0.00 C ATOM 370 CZ PHE A 26 -0.358 8.362 -2.964 1.00 0.00 C ATOM 0 H PHE A 26 2.561 9.995 -6.095 1.00 0.00 H new ATOM 0 HA PHE A 26 3.793 7.705 -7.319 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.596 6.348 -6.797 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.950 6.307 -5.685 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.453 7.559 -6.234 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.836 7.450 -3.530 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.913 8.363 -4.428 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.379 8.254 -1.723 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.999 8.719 -2.171 1.00 0.00 H new ATOM 380 N ARG A 27 1.602 7.603 -8.911 1.00 0.00 N ATOM 381 CA ARG A 27 0.743 7.909 -10.049 1.00 0.00 C ATOM 382 C ARG A 27 -0.528 7.065 -10.012 1.00 0.00 C ATOM 383 O ARG A 27 -0.609 6.077 -9.282 1.00 0.00 O ATOM 384 CB ARG A 27 1.490 7.668 -11.361 1.00 0.00 C ATOM 385 CG ARG A 27 2.490 8.761 -11.702 1.00 0.00 C ATOM 386 CD ARG A 27 1.847 9.868 -12.522 1.00 0.00 C ATOM 387 NE ARG A 27 2.478 11.163 -12.283 1.00 0.00 N ATOM 388 CZ ARG A 27 2.063 12.297 -12.837 1.00 0.00 C ATOM 389 NH1 ARG A 27 1.020 12.296 -13.656 1.00 0.00 N ATOM 390 NH2 ARG A 27 2.690 13.435 -12.571 1.00 0.00 N ATOM 0 H ARG A 27 1.895 6.628 -8.854 1.00 0.00 H new ATOM 0 HA ARG A 27 0.463 8.961 -9.988 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.014 6.714 -11.301 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.766 7.584 -12.171 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.901 9.179 -10.783 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.324 8.332 -12.258 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.916 9.621 -13.581 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.787 9.931 -12.278 1.00 0.00 H new ATOM 0 HE ARG A 27 3.282 11.199 -11.656 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.534 11.423 -13.862 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.704 13.168 -14.080 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.492 13.440 -11.941 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.370 14.305 -12.997 1.00 0.00 H new ATOM 404 N LYS A 28 -1.518 7.461 -10.805 1.00 0.00 N ATOM 405 CA LYS A 28 -2.785 6.742 -10.865 1.00 0.00 C ATOM 406 C LYS A 28 -2.567 5.287 -11.270 1.00 0.00 C ATOM 407 O LYS A 28 -1.772 4.994 -12.164 1.00 0.00 O ATOM 408 CB LYS A 28 -3.733 7.420 -11.856 1.00 0.00 C ATOM 409 CG LYS A 28 -5.170 6.938 -11.750 1.00 0.00 C ATOM 410 CD LYS A 28 -6.127 7.873 -12.470 1.00 0.00 C ATOM 411 CE LYS A 28 -7.549 7.722 -11.952 1.00 0.00 C ATOM 412 NZ LYS A 28 -8.540 8.371 -12.856 1.00 0.00 N ATOM 0 H LYS A 28 -1.467 8.277 -11.415 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.232 6.762 -9.871 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.707 8.497 -11.692 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.373 7.243 -12.870 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.251 5.937 -12.173 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.453 6.864 -10.700 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.798 8.904 -12.338 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.104 7.665 -13.540 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.788 6.663 -11.851 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.622 8.162 -10.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.497 8.246 -12.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.327 9.386 -12.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.488 7.934 -13.798 1.00 0.00 H new ATOM 426 N ASN A 29 -3.276 4.380 -10.608 1.00 0.00 N ATOM 427 CA ASN A 29 -3.160 2.956 -10.900 1.00 0.00 C ATOM 428 C ASN A 29 -1.744 2.458 -10.624 1.00 0.00 C ATOM 429 O ASN A 29 -1.111 1.850 -11.487 1.00 0.00 O ATOM 430 CB ASN A 29 -3.534 2.681 -12.358 1.00 0.00 C ATOM 431 CG ASN A 29 -5.016 2.875 -12.621 1.00 0.00 C ATOM 432 OD1 ASN A 29 -5.853 2.564 -11.774 1.00 0.00 O ATOM 433 ND2 ASN A 29 -5.345 3.390 -13.799 1.00 0.00 N ATOM 0 H ASN A 29 -3.938 4.605 -9.865 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.849 2.419 -10.248 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.963 3.343 -13.008 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.252 1.660 -12.616 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.326 3.543 -14.033 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.617 3.633 -14.471 1.00 0.00 H new ATOM 440 N ASP A 30 -1.257 2.719 -9.416 1.00 0.00 N ATOM 441 CA ASP A 30 0.083 2.296 -9.026 1.00 0.00 C ATOM 442 C ASP A 30 0.048 1.532 -7.705 1.00 0.00 C ATOM 443 O ASP A 30 -0.691 1.892 -6.789 1.00 0.00 O ATOM 444 CB ASP A 30 1.008 3.508 -8.905 1.00 0.00 C ATOM 445 CG ASP A 30 1.367 4.099 -10.254 1.00 0.00 C ATOM 446 OD1 ASP A 30 0.461 4.235 -11.102 1.00 0.00 O ATOM 447 OD2 ASP A 30 2.553 4.431 -10.460 1.00 0.00 O ATOM 0 H ASP A 30 -1.769 3.221 -8.691 1.00 0.00 H new ATOM 0 HA ASP A 30 0.468 1.631 -9.799 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.525 4.271 -8.294 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.920 3.215 -8.386 1.00 0.00 H new ATOM 452 N ILE A 31 0.852 0.477 -7.617 1.00 0.00 N ATOM 453 CA ILE A 31 0.913 -0.338 -6.410 1.00 0.00 C ATOM 454 C ILE A 31 2.028 0.134 -5.484 1.00 0.00 C ATOM 455 O ILE A 31 3.163 0.341 -5.918 1.00 0.00 O ATOM 456 CB ILE A 31 1.131 -1.824 -6.744 1.00 0.00 C ATOM 457 CG1 ILE A 31 0.091 -2.301 -7.758 1.00 0.00 C ATOM 458 CG2 ILE A 31 1.069 -2.667 -5.479 1.00 0.00 C ATOM 459 CD1 ILE A 31 -1.323 -2.297 -7.222 1.00 0.00 C ATOM 0 H ILE A 31 1.470 0.167 -8.367 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.046 -0.226 -5.905 1.00 0.00 H new ATOM 0 HB ILE A 31 2.121 -1.938 -7.186 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.138 -1.664 -8.641 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.346 -3.311 -8.080 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.225 -3.716 -5.733 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.845 -2.342 -4.787 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.092 -2.549 -5.010 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.006 -2.647 -7.996 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.386 -2.957 -6.357 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.597 -1.284 -6.927 1.00 0.00 H new ATOM 471 N ILE A 32 1.699 0.303 -4.208 1.00 0.00 N ATOM 472 CA ILE A 32 2.675 0.748 -3.220 1.00 0.00 C ATOM 473 C ILE A 32 2.716 -0.195 -2.024 1.00 0.00 C ATOM 474 O ILE A 32 1.676 -0.628 -1.523 1.00 0.00 O ATOM 475 CB ILE A 32 2.367 2.174 -2.726 1.00 0.00 C ATOM 476 CG1 ILE A 32 2.334 3.149 -3.904 1.00 0.00 C ATOM 477 CG2 ILE A 32 3.397 2.612 -1.697 1.00 0.00 C ATOM 478 CD1 ILE A 32 1.518 4.395 -3.633 1.00 0.00 C ATOM 0 H ILE A 32 0.765 0.139 -3.834 1.00 0.00 H new ATOM 0 HA ILE A 32 3.647 0.746 -3.714 1.00 0.00 H new ATOM 0 HB ILE A 32 1.386 2.174 -2.251 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.354 3.440 -4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.925 2.639 -4.776 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.166 3.622 -1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.375 1.930 -0.847 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.390 2.599 -2.147 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.538 5.041 -4.511 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.488 4.115 -3.413 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.939 4.928 -2.780 1.00 0.00 H new ATOM 490 N THR A 33 3.923 -0.513 -1.567 1.00 0.00 N ATOM 491 CA THR A 33 4.101 -1.406 -0.428 1.00 0.00 C ATOM 492 C THR A 33 4.009 -0.642 0.888 1.00 0.00 C ATOM 493 O THR A 33 4.655 0.392 1.062 1.00 0.00 O ATOM 494 CB THR A 33 5.456 -2.136 -0.491 1.00 0.00 C ATOM 495 OG1 THR A 33 5.477 -3.033 -1.609 1.00 0.00 O ATOM 496 CG2 THR A 33 5.714 -2.910 0.792 1.00 0.00 C ATOM 0 H THR A 33 4.793 -0.165 -1.969 1.00 0.00 H new ATOM 0 HA THR A 33 3.299 -2.142 -0.475 1.00 0.00 H new ATOM 0 HB THR A 33 6.241 -1.389 -0.609 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.342 -3.492 -1.644 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.676 -3.417 0.724 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.726 -2.221 1.636 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.925 -3.648 0.937 1.00 0.00 H new ATOM 504 N ILE A 34 3.206 -1.158 1.811 1.00 0.00 N ATOM 505 CA ILE A 34 3.033 -0.526 3.112 1.00 0.00 C ATOM 506 C ILE A 34 4.005 -1.098 4.137 1.00 0.00 C ATOM 507 O ILE A 34 3.890 -2.256 4.537 1.00 0.00 O ATOM 508 CB ILE A 34 1.594 -0.699 3.636 1.00 0.00 C ATOM 509 CG1 ILE A 34 0.589 -0.155 2.617 1.00 0.00 C ATOM 510 CG2 ILE A 34 1.429 0.003 4.975 1.00 0.00 C ATOM 511 CD1 ILE A 34 -0.843 -0.187 3.106 1.00 0.00 C ATOM 0 H ILE A 34 2.665 -2.013 1.682 1.00 0.00 H new ATOM 0 HA ILE A 34 3.237 0.536 2.974 1.00 0.00 H new ATOM 0 HB ILE A 34 1.401 -1.762 3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.856 0.872 2.367 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.664 -0.737 1.698 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.407 -0.129 5.331 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.123 -0.425 5.698 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.638 1.066 4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.500 0.213 2.334 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.128 -1.215 3.329 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.933 0.418 4.008 1.00 0.00 H new ATOM 523 N ILE A 35 4.963 -0.278 4.558 1.00 0.00 N ATOM 524 CA ILE A 35 5.956 -0.703 5.537 1.00 0.00 C ATOM 525 C ILE A 35 5.421 -0.556 6.959 1.00 0.00 C ATOM 526 O ILE A 35 5.242 -1.543 7.671 1.00 0.00 O ATOM 527 CB ILE A 35 7.259 0.106 5.404 1.00 0.00 C ATOM 528 CG1 ILE A 35 7.704 0.162 3.942 1.00 0.00 C ATOM 529 CG2 ILE A 35 8.350 -0.503 6.273 1.00 0.00 C ATOM 530 CD1 ILE A 35 8.521 -1.037 3.512 1.00 0.00 C ATOM 0 H ILE A 35 5.072 0.684 4.236 1.00 0.00 H new ATOM 0 HA ILE A 35 6.169 -1.753 5.337 1.00 0.00 H new ATOM 0 HB ILE A 35 7.074 1.124 5.746 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.823 0.238 3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.291 1.067 3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.266 0.079 6.169 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.032 -0.495 7.315 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.535 -1.530 5.958 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.802 -0.929 2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.421 -1.103 4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.930 -1.944 3.638 1.00 0.00 H new ATOM 542 N SER A 36 5.168 0.684 7.365 1.00 0.00 N ATOM 543 CA SER A 36 4.655 0.960 8.702 1.00 0.00 C ATOM 544 C SER A 36 3.496 1.949 8.646 1.00 0.00 C ATOM 545 O SER A 36 3.674 3.112 8.284 1.00 0.00 O ATOM 546 CB SER A 36 5.771 1.515 9.593 1.00 0.00 C ATOM 547 OG SER A 36 5.545 1.188 10.952 1.00 0.00 O ATOM 0 H SER A 36 5.310 1.513 6.788 1.00 0.00 H new ATOM 0 HA SER A 36 4.291 0.024 9.126 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.732 1.111 9.273 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.827 2.598 9.480 1.00 0.00 H new ATOM 0 HG SER A 36 6.271 1.551 11.501 1.00 0.00 H new ATOM 553 N GLN A 37 2.306 1.479 9.005 1.00 0.00 N ATOM 554 CA GLN A 37 1.116 2.321 8.995 1.00 0.00 C ATOM 555 C GLN A 37 1.146 3.320 10.147 1.00 0.00 C ATOM 556 O GLN A 37 0.500 3.119 11.174 1.00 0.00 O ATOM 557 CB GLN A 37 -0.145 1.459 9.086 1.00 0.00 C ATOM 558 CG GLN A 37 -0.469 0.718 7.798 1.00 0.00 C ATOM 559 CD GLN A 37 -1.662 -0.208 7.943 1.00 0.00 C ATOM 560 OE1 GLN A 37 -1.813 -0.891 8.955 1.00 0.00 O ATOM 561 NE2 GLN A 37 -2.516 -0.235 6.926 1.00 0.00 N ATOM 0 H GLN A 37 2.140 0.519 9.307 1.00 0.00 H new ATOM 0 HA GLN A 37 1.102 2.876 8.057 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.023 0.735 9.891 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.990 2.093 9.353 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.669 1.441 7.007 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.401 0.139 7.488 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.351 0.349 6.106 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.337 -0.839 6.965 1.00 0.00 H new ATOM 570 N LYS A 38 1.902 4.397 9.966 1.00 0.00 N ATOM 571 CA LYS A 38 2.018 5.430 10.990 1.00 0.00 C ATOM 572 C LYS A 38 0.664 5.710 11.636 1.00 0.00 C ATOM 573 O LYS A 38 0.551 5.769 12.860 1.00 0.00 O ATOM 574 CB LYS A 38 2.580 6.718 10.382 1.00 0.00 C ATOM 575 CG LYS A 38 3.375 7.558 11.367 1.00 0.00 C ATOM 576 CD LYS A 38 4.428 8.395 10.660 1.00 0.00 C ATOM 577 CE LYS A 38 5.056 9.411 11.603 1.00 0.00 C ATOM 578 NZ LYS A 38 5.795 8.751 12.716 1.00 0.00 N ATOM 0 H LYS A 38 2.443 4.578 9.121 1.00 0.00 H new ATOM 0 HA LYS A 38 2.701 5.069 11.759 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.219 6.462 9.537 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.756 7.315 9.990 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.699 8.211 11.919 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.856 6.907 12.097 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.203 7.743 10.257 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.976 8.913 9.814 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.738 10.052 11.044 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.278 10.054 12.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.265 9.474 13.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.128 8.213 13.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.509 8.105 12.323 1.00 0.00 H new ATOM 592 N ASP A 39 -0.358 5.878 10.806 1.00 0.00 N ATOM 593 CA ASP A 39 -1.706 6.148 11.297 1.00 0.00 C ATOM 594 C ASP A 39 -2.715 6.129 10.154 1.00 0.00 C ATOM 595 O ASP A 39 -2.368 6.391 9.002 1.00 0.00 O ATOM 596 CB ASP A 39 -1.750 7.500 12.011 1.00 0.00 C ATOM 597 CG ASP A 39 -1.019 8.584 11.243 1.00 0.00 C ATOM 598 OD1 ASP A 39 0.230 8.551 11.213 1.00 0.00 O ATOM 599 OD2 ASP A 39 -1.693 9.463 10.670 1.00 0.00 O ATOM 0 H ASP A 39 -0.280 5.832 9.790 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.972 5.363 12.005 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.789 7.798 12.155 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.307 7.399 13.002 1.00 0.00 H new ATOM 604 N GLU A 40 -3.965 5.816 10.479 1.00 0.00 N ATOM 605 CA GLU A 40 -5.023 5.760 9.478 1.00 0.00 C ATOM 606 C GLU A 40 -5.034 7.026 8.627 1.00 0.00 C ATOM 607 O GLU A 40 -5.528 7.025 7.499 1.00 0.00 O ATOM 608 CB GLU A 40 -6.384 5.574 10.154 1.00 0.00 C ATOM 609 CG GLU A 40 -7.509 5.259 9.182 1.00 0.00 C ATOM 610 CD GLU A 40 -7.895 6.450 8.327 1.00 0.00 C ATOM 611 OE1 GLU A 40 -7.944 7.576 8.867 1.00 0.00 O ATOM 612 OE2 GLU A 40 -8.148 6.258 7.119 1.00 0.00 O ATOM 0 H GLU A 40 -4.270 5.597 11.428 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.829 4.908 8.827 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.310 4.768 10.884 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.634 6.481 10.704 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.205 4.436 8.535 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.382 4.920 9.740 1.00 0.00 H new ATOM 619 N HIS A 41 -4.487 8.107 9.176 1.00 0.00 N ATOM 620 CA HIS A 41 -4.432 9.380 8.468 1.00 0.00 C ATOM 621 C HIS A 41 -3.169 9.476 7.618 1.00 0.00 C ATOM 622 O HIS A 41 -3.178 10.071 6.541 1.00 0.00 O ATOM 623 CB HIS A 41 -4.483 10.542 9.459 1.00 0.00 C ATOM 624 CG HIS A 41 -5.781 10.640 10.201 1.00 0.00 C ATOM 625 ND1 HIS A 41 -6.305 11.834 10.648 1.00 0.00 N ATOM 626 CD2 HIS A 41 -6.663 9.682 10.574 1.00 0.00 C ATOM 627 CE1 HIS A 41 -7.451 11.608 11.264 1.00 0.00 C ATOM 628 NE2 HIS A 41 -7.691 10.309 11.232 1.00 0.00 N ATOM 0 H HIS A 41 -4.076 8.126 10.109 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.298 9.437 7.808 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -3.671 10.432 10.177 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -4.310 11.475 8.922 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -6.574 8.622 10.388 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -8.084 12.357 11.717 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -8.508 9.847 11.632 1.00 0.00 H new ATOM 637 N CYS A 42 -2.085 8.887 8.111 1.00 0.00 N ATOM 638 CA CYS A 42 -0.813 8.907 7.398 1.00 0.00 C ATOM 639 C CYS A 42 -0.136 7.543 7.456 1.00 0.00 C ATOM 640 O CYS A 42 0.127 7.013 8.535 1.00 0.00 O ATOM 641 CB CYS A 42 0.110 9.974 7.990 1.00 0.00 C ATOM 642 SG CYS A 42 -0.563 11.650 7.930 1.00 0.00 S ATOM 0 H CYS A 42 -2.062 8.390 9.001 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.013 9.148 6.354 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.325 9.718 9.027 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.059 9.956 7.454 1.00 0.00 H new ATOM 0 HG CYS A 42 0.270 12.430 7.308 1.00 0.00 H new ATOM 648 N TRP A 43 0.142 6.978 6.286 1.00 0.00 N ATOM 649 CA TRP A 43 0.787 5.671 6.204 1.00 0.00 C ATOM 650 C TRP A 43 2.160 5.783 5.550 1.00 0.00 C ATOM 651 O TRP A 43 2.421 6.711 4.784 1.00 0.00 O ATOM 652 CB TRP A 43 -0.088 4.696 5.416 1.00 0.00 C ATOM 653 CG TRP A 43 -1.309 4.254 6.166 1.00 0.00 C ATOM 654 CD1 TRP A 43 -1.553 4.414 7.500 1.00 0.00 C ATOM 655 CD2 TRP A 43 -2.450 3.579 5.626 1.00 0.00 C ATOM 656 NE1 TRP A 43 -2.777 3.878 7.821 1.00 0.00 N ATOM 657 CE2 TRP A 43 -3.348 3.362 6.688 1.00 0.00 C ATOM 658 CE3 TRP A 43 -2.802 3.141 4.346 1.00 0.00 C ATOM 659 CZ2 TRP A 43 -4.573 2.723 6.509 1.00 0.00 C ATOM 660 CZ3 TRP A 43 -4.017 2.506 4.170 1.00 0.00 C ATOM 661 CH2 TRP A 43 -4.891 2.303 5.247 1.00 0.00 C ATOM 0 H TRP A 43 -0.068 7.403 5.383 1.00 0.00 H new ATOM 0 HA TRP A 43 0.917 5.293 7.218 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.395 5.167 4.482 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.504 3.820 5.151 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.883 4.891 8.200 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.193 3.866 8.752 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.137 3.296 3.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.248 2.565 7.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -4.298 2.160 3.186 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -5.834 1.805 5.077 1.00 0.00 H new ATOM 672 N VAL A 44 3.036 4.831 5.855 1.00 0.00 N ATOM 673 CA VAL A 44 4.382 4.823 5.295 1.00 0.00 C ATOM 674 C VAL A 44 4.600 3.603 4.408 1.00 0.00 C ATOM 675 O VAL A 44 4.585 2.467 4.881 1.00 0.00 O ATOM 676 CB VAL A 44 5.451 4.834 6.405 1.00 0.00 C ATOM 677 CG1 VAL A 44 6.846 4.755 5.802 1.00 0.00 C ATOM 678 CG2 VAL A 44 5.306 6.077 7.270 1.00 0.00 C ATOM 0 H VAL A 44 2.838 4.055 6.487 1.00 0.00 H new ATOM 0 HA VAL A 44 4.481 5.728 4.695 1.00 0.00 H new ATOM 0 HB VAL A 44 5.304 3.959 7.038 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.588 4.764 6.600 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.942 3.834 5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.008 5.611 5.146 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.068 6.069 8.049 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.428 6.967 6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.318 6.087 7.730 1.00 0.00 H new ATOM 688 N GLY A 45 4.804 3.845 3.116 1.00 0.00 N ATOM 689 CA GLY A 45 5.024 2.757 2.182 1.00 0.00 C ATOM 690 C GLY A 45 6.367 2.850 1.487 1.00 0.00 C ATOM 691 O GLY A 45 7.222 3.642 1.883 1.00 0.00 O ATOM 0 H GLY A 45 4.821 4.776 2.700 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.959 1.808 2.714 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.231 2.759 1.434 1.00 0.00 H new ATOM 695 N GLU A 46 6.554 2.040 0.450 1.00 0.00 N ATOM 696 CA GLU A 46 7.805 2.033 -0.297 1.00 0.00 C ATOM 697 C GLU A 46 7.541 1.987 -1.800 1.00 0.00 C ATOM 698 O GLU A 46 6.875 1.077 -2.297 1.00 0.00 O ATOM 699 CB GLU A 46 8.667 0.838 0.117 1.00 0.00 C ATOM 700 CG GLU A 46 10.160 1.092 -0.008 1.00 0.00 C ATOM 701 CD GLU A 46 10.980 0.220 0.922 1.00 0.00 C ATOM 702 OE1 GLU A 46 10.446 -0.802 1.402 1.00 0.00 O ATOM 703 OE2 GLU A 46 12.157 0.560 1.169 1.00 0.00 O ATOM 0 H GLU A 46 5.855 1.380 0.109 1.00 0.00 H new ATOM 0 HA GLU A 46 8.340 2.954 -0.067 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.437 0.575 1.150 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.401 -0.022 -0.498 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.471 0.911 -1.037 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.366 2.140 0.208 1.00 0.00 H new ATOM 710 N LEU A 47 8.065 2.973 -2.518 1.00 0.00 N ATOM 711 CA LEU A 47 7.887 3.046 -3.963 1.00 0.00 C ATOM 712 C LEU A 47 9.019 3.837 -4.613 1.00 0.00 C ATOM 713 O LEU A 47 9.531 4.795 -4.035 1.00 0.00 O ATOM 714 CB LEU A 47 6.542 3.693 -4.297 1.00 0.00 C ATOM 715 CG LEU A 47 6.072 3.553 -5.747 1.00 0.00 C ATOM 716 CD1 LEU A 47 5.272 2.273 -5.927 1.00 0.00 C ATOM 717 CD2 LEU A 47 5.247 4.764 -6.158 1.00 0.00 C ATOM 0 H LEU A 47 8.617 3.734 -2.123 1.00 0.00 H new ATOM 0 HA LEU A 47 7.905 2.030 -4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.782 3.261 -3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.602 4.754 -4.056 1.00 0.00 H new ATOM 0 HG LEU A 47 6.950 3.501 -6.391 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.946 2.190 -6.964 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.895 1.416 -5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.400 2.294 -5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.921 4.648 -7.192 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.375 4.847 -5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.854 5.665 -6.068 1.00 0.00 H new ATOM 729 N ASN A 48 9.404 3.426 -5.818 1.00 0.00 N ATOM 730 CA ASN A 48 10.474 4.097 -6.546 1.00 0.00 C ATOM 731 C ASN A 48 11.754 4.142 -5.716 1.00 0.00 C ATOM 732 O ASN A 48 12.565 5.057 -5.854 1.00 0.00 O ATOM 733 CB ASN A 48 10.050 5.518 -6.925 1.00 0.00 C ATOM 734 CG ASN A 48 9.044 5.538 -8.061 1.00 0.00 C ATOM 735 OD1 ASN A 48 9.409 5.406 -9.229 1.00 0.00 O ATOM 736 ND2 ASN A 48 7.771 5.704 -7.720 1.00 0.00 N ATOM 0 H ASN A 48 8.991 2.633 -6.309 1.00 0.00 H new ATOM 0 HA ASN A 48 10.671 3.529 -7.455 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.619 6.010 -6.053 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.931 6.092 -7.213 1.00 0.00 H new ATOM 0 HD21 ASN A 48 7.049 5.726 -8.440 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.516 5.809 -6.738 1.00 0.00 H new ATOM 743 N GLY A 49 11.927 3.145 -4.854 1.00 0.00 N ATOM 744 CA GLY A 49 13.109 3.087 -4.015 1.00 0.00 C ATOM 745 C GLY A 49 13.129 4.182 -2.966 1.00 0.00 C ATOM 746 O GLY A 49 14.194 4.573 -2.486 1.00 0.00 O ATOM 0 H GLY A 49 11.270 2.376 -4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 49 13.154 2.116 -3.523 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.999 3.170 -4.639 1.00 0.00 H new ATOM 750 N LEU A 50 11.950 4.678 -2.609 1.00 0.00 N ATOM 751 CA LEU A 50 11.835 5.735 -1.611 1.00 0.00 C ATOM 752 C LEU A 50 10.912 5.313 -0.473 1.00 0.00 C ATOM 753 O LEU A 50 9.975 4.540 -0.675 1.00 0.00 O ATOM 754 CB LEU A 50 11.311 7.019 -2.257 1.00 0.00 C ATOM 755 CG LEU A 50 11.995 7.444 -3.556 1.00 0.00 C ATOM 756 CD1 LEU A 50 11.273 8.629 -4.178 1.00 0.00 C ATOM 757 CD2 LEU A 50 13.457 7.782 -3.304 1.00 0.00 C ATOM 0 H LEU A 50 11.060 4.365 -2.996 1.00 0.00 H new ATOM 0 HA LEU A 50 12.827 5.920 -1.200 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.246 6.894 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.409 7.831 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 50 11.951 6.609 -4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.775 8.917 -5.102 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.241 8.353 -4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.284 9.468 -3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.928 8.082 -4.240 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.523 8.600 -2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.969 6.907 -2.905 1.00 0.00 H new ATOM 769 N ARG A 51 11.183 5.825 0.723 1.00 0.00 N ATOM 770 CA ARG A 51 10.375 5.500 1.894 1.00 0.00 C ATOM 771 C ARG A 51 9.996 6.765 2.659 1.00 0.00 C ATOM 772 O ARG A 51 10.858 7.464 3.189 1.00 0.00 O ATOM 773 CB ARG A 51 11.134 4.542 2.813 1.00 0.00 C ATOM 774 CG ARG A 51 10.920 3.076 2.476 1.00 0.00 C ATOM 775 CD ARG A 51 11.219 2.180 3.668 1.00 0.00 C ATOM 776 NE ARG A 51 12.641 1.863 3.772 1.00 0.00 N ATOM 777 CZ ARG A 51 13.159 1.120 4.743 1.00 0.00 C ATOM 778 NH1 ARG A 51 12.376 0.620 5.690 1.00 0.00 N ATOM 779 NH2 ARG A 51 14.462 0.874 4.769 1.00 0.00 N ATOM 0 H ARG A 51 11.955 6.466 0.907 1.00 0.00 H new ATOM 0 HA ARG A 51 9.461 5.015 1.552 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.199 4.767 2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.824 4.718 3.843 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.890 2.922 2.153 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.561 2.797 1.640 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.890 2.672 4.583 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.647 1.256 3.579 1.00 0.00 H new ATOM 0 HE ARG A 51 13.271 2.233 3.060 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.373 0.806 5.673 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.777 0.050 6.435 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.068 1.256 4.042 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.858 0.303 5.516 1.00 0.00 H new ATOM 793 N GLY A 52 8.699 7.051 2.712 1.00 0.00 N ATOM 794 CA GLY A 52 8.227 8.231 3.415 1.00 0.00 C ATOM 795 C GLY A 52 6.807 8.078 3.919 1.00 0.00 C ATOM 796 O GLY A 52 6.344 6.963 4.158 1.00 0.00 O ATOM 0 H GLY A 52 7.966 6.487 2.281 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.888 8.436 4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.282 9.092 2.749 1.00 0.00 H new ATOM 800 N TRP A 53 6.114 9.198 4.081 1.00 0.00 N ATOM 801 CA TRP A 53 4.736 9.183 4.561 1.00 0.00 C ATOM 802 C TRP A 53 3.776 9.656 3.477 1.00 0.00 C ATOM 803 O TRP A 53 4.165 10.388 2.565 1.00 0.00 O ATOM 804 CB TRP A 53 4.598 10.066 5.804 1.00 0.00 C ATOM 805 CG TRP A 53 4.527 11.529 5.486 1.00 0.00 C ATOM 806 CD1 TRP A 53 5.575 12.355 5.188 1.00 0.00 C ATOM 807 CD2 TRP A 53 3.348 12.340 5.441 1.00 0.00 C ATOM 808 NE1 TRP A 53 5.116 13.629 4.959 1.00 0.00 N ATOM 809 CE2 TRP A 53 3.754 13.646 5.106 1.00 0.00 C ATOM 810 CE3 TRP A 53 1.989 12.088 5.646 1.00 0.00 C ATOM 811 CZ2 TRP A 53 2.850 14.697 4.975 1.00 0.00 C ATOM 812 CZ3 TRP A 53 1.092 13.131 5.516 1.00 0.00 C ATOM 813 CH2 TRP A 53 1.525 14.422 5.182 1.00 0.00 C ATOM 0 H TRP A 53 6.483 10.129 3.887 1.00 0.00 H new ATOM 0 HA TRP A 53 4.480 8.156 4.823 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.700 9.776 6.350 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.445 9.886 6.465 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.610 12.051 5.140 1.00 0.00 H new ATOM 0 HE1 TRP A 53 5.696 14.433 4.718 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.646 11.096 5.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.182 15.692 4.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.039 12.949 5.674 1.00 0.00 H new ATOM 0 HH2 TRP A 53 0.799 15.215 5.086 1.00 0.00 H new ATOM 824 N PHE A 54 2.520 9.236 3.580 1.00 0.00 N ATOM 825 CA PHE A 54 1.504 9.618 2.605 1.00 0.00 C ATOM 826 C PHE A 54 0.106 9.291 3.122 1.00 0.00 C ATOM 827 O PHE A 54 -0.093 8.368 3.913 1.00 0.00 O ATOM 828 CB PHE A 54 1.748 8.902 1.275 1.00 0.00 C ATOM 829 CG PHE A 54 1.512 7.420 1.341 1.00 0.00 C ATOM 830 CD1 PHE A 54 0.230 6.904 1.244 1.00 0.00 C ATOM 831 CD2 PHE A 54 2.574 6.543 1.499 1.00 0.00 C ATOM 832 CE1 PHE A 54 0.010 5.540 1.304 1.00 0.00 C ATOM 833 CE2 PHE A 54 2.359 5.179 1.558 1.00 0.00 C ATOM 834 CZ PHE A 54 1.077 4.676 1.461 1.00 0.00 C ATOM 0 H PHE A 54 2.181 8.631 4.328 1.00 0.00 H new ATOM 0 HA PHE A 54 1.573 10.694 2.448 1.00 0.00 H new ATOM 0 HB2 PHE A 54 1.096 9.332 0.515 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.774 9.085 0.956 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.607 7.575 1.120 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.579 6.930 1.577 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.994 5.151 1.228 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.195 4.506 1.680 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.908 3.610 1.508 1.00 0.00 H new ATOM 844 N PRO A 55 -0.889 10.068 2.667 1.00 0.00 N ATOM 845 CA PRO A 55 -2.286 9.883 3.070 1.00 0.00 C ATOM 846 C PRO A 55 -2.889 8.605 2.496 1.00 0.00 C ATOM 847 O PRO A 55 -2.680 8.277 1.329 1.00 0.00 O ATOM 848 CB PRO A 55 -2.989 11.112 2.489 1.00 0.00 C ATOM 849 CG PRO A 55 -2.138 11.526 1.338 1.00 0.00 C ATOM 850 CD PRO A 55 -0.725 11.187 1.723 1.00 0.00 C ATOM 0 HA PRO A 55 -2.389 9.787 4.151 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.002 10.873 2.166 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.070 11.909 3.229 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.431 11.002 0.428 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.243 12.593 1.139 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -0.130 10.898 0.856 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.221 12.034 2.187 1.00 0.00 H new ATOM 858 N ALA A 56 -3.639 7.886 3.326 1.00 0.00 N ATOM 859 CA ALA A 56 -4.274 6.645 2.901 1.00 0.00 C ATOM 860 C ALA A 56 -5.542 6.924 2.099 1.00 0.00 C ATOM 861 O ALA A 56 -5.929 6.136 1.237 1.00 0.00 O ATOM 862 CB ALA A 56 -4.591 5.773 4.107 1.00 0.00 C ATOM 0 H ALA A 56 -3.821 8.142 4.296 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.576 6.112 2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.065 4.850 3.774 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.669 5.537 4.638 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.267 6.307 4.775 1.00 0.00 H new ATOM 868 N LYS A 57 -6.186 8.049 2.393 1.00 0.00 N ATOM 869 CA LYS A 57 -7.409 8.433 1.700 1.00 0.00 C ATOM 870 C LYS A 57 -7.163 8.582 0.202 1.00 0.00 C ATOM 871 O LYS A 57 -8.105 8.627 -0.589 1.00 0.00 O ATOM 872 CB LYS A 57 -7.953 9.744 2.272 1.00 0.00 C ATOM 873 CG LYS A 57 -6.963 10.893 2.205 1.00 0.00 C ATOM 874 CD LYS A 57 -7.105 11.678 0.911 1.00 0.00 C ATOM 875 CE LYS A 57 -6.737 13.140 1.103 1.00 0.00 C ATOM 876 NZ LYS A 57 -5.587 13.305 2.035 1.00 0.00 N ATOM 0 H LYS A 57 -5.881 8.710 3.107 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.146 7.644 1.852 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.856 10.021 1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.243 9.585 3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.119 11.558 3.054 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.948 10.505 2.286 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.466 11.238 0.146 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.131 11.604 0.550 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.489 13.582 0.138 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.599 13.684 1.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.334 14.312 2.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.851 12.953 2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.772 12.766 1.679 1.00 0.00 H new ATOM 890 N PHE A 58 -5.894 8.657 -0.180 1.00 0.00 N ATOM 891 CA PHE A 58 -5.524 8.800 -1.583 1.00 0.00 C ATOM 892 C PHE A 58 -5.522 7.447 -2.286 1.00 0.00 C ATOM 893 O PHE A 58 -5.867 7.345 -3.463 1.00 0.00 O ATOM 894 CB PHE A 58 -4.145 9.453 -1.705 1.00 0.00 C ATOM 895 CG PHE A 58 -4.200 10.948 -1.833 1.00 0.00 C ATOM 896 CD1 PHE A 58 -4.332 11.749 -0.710 1.00 0.00 C ATOM 897 CD2 PHE A 58 -4.119 11.554 -3.076 1.00 0.00 C ATOM 898 CE1 PHE A 58 -4.382 13.125 -0.826 1.00 0.00 C ATOM 899 CE2 PHE A 58 -4.169 12.930 -3.199 1.00 0.00 C ATOM 900 CZ PHE A 58 -4.298 13.716 -2.072 1.00 0.00 C ATOM 0 H PHE A 58 -5.103 8.621 0.463 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.265 9.438 -2.065 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.550 9.193 -0.830 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.632 9.040 -2.574 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.397 11.293 0.267 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.015 10.943 -3.961 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.487 13.738 0.057 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.107 13.389 -4.175 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.333 14.792 -2.164 1.00 0.00 H new ATOM 910 N VAL A 59 -5.129 6.407 -1.556 1.00 0.00 N ATOM 911 CA VAL A 59 -5.082 5.058 -2.108 1.00 0.00 C ATOM 912 C VAL A 59 -6.153 4.172 -1.484 1.00 0.00 C ATOM 913 O VAL A 59 -6.879 4.598 -0.587 1.00 0.00 O ATOM 914 CB VAL A 59 -3.702 4.411 -1.887 1.00 0.00 C ATOM 915 CG1 VAL A 59 -2.591 5.363 -2.306 1.00 0.00 C ATOM 916 CG2 VAL A 59 -3.536 3.990 -0.435 1.00 0.00 C ATOM 0 H VAL A 59 -4.839 6.473 -0.580 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.267 5.146 -3.179 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.636 3.518 -2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.624 4.888 -2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.701 5.608 -3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.652 6.276 -1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.555 3.535 -0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.624 4.865 0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.310 3.268 -0.175 1.00 0.00 H new ATOM 926 N GLU A 60 -6.244 2.936 -1.965 1.00 0.00 N ATOM 927 CA GLU A 60 -7.229 1.989 -1.454 1.00 0.00 C ATOM 928 C GLU A 60 -6.559 0.685 -1.031 1.00 0.00 C ATOM 929 O GLU A 60 -5.756 0.116 -1.772 1.00 0.00 O ATOM 930 CB GLU A 60 -8.295 1.707 -2.514 1.00 0.00 C ATOM 931 CG GLU A 60 -9.503 0.958 -1.977 1.00 0.00 C ATOM 932 CD GLU A 60 -10.327 1.793 -1.015 1.00 0.00 C ATOM 933 OE1 GLU A 60 -10.712 2.920 -1.391 1.00 0.00 O ATOM 934 OE2 GLU A 60 -10.588 1.319 0.109 1.00 0.00 O ATOM 0 H GLU A 60 -5.649 2.567 -2.707 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.705 2.434 -0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.626 2.652 -2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.848 1.127 -3.322 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.132 0.645 -2.811 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.169 0.052 -1.472 1.00 0.00 H new ATOM 941 N VAL A 61 -6.894 0.216 0.167 1.00 0.00 N ATOM 942 CA VAL A 61 -6.326 -1.021 0.692 1.00 0.00 C ATOM 943 C VAL A 61 -6.826 -2.229 -0.092 1.00 0.00 C ATOM 944 O VAL A 61 -7.937 -2.222 -0.622 1.00 0.00 O ATOM 945 CB VAL A 61 -6.671 -1.210 2.180 1.00 0.00 C ATOM 946 CG1 VAL A 61 -5.919 -2.401 2.755 1.00 0.00 C ATOM 947 CG2 VAL A 61 -6.359 0.057 2.964 1.00 0.00 C ATOM 0 H VAL A 61 -7.556 0.674 0.793 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.244 -0.944 0.586 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.739 -1.409 2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.175 -2.519 3.808 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.196 -3.304 2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.846 -2.235 2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.609 -0.094 4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.298 0.289 2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.947 0.885 2.567 1.00 0.00 H new ATOM 957 N LEU A 62 -5.998 -3.265 -0.162 1.00 0.00 N ATOM 958 CA LEU A 62 -6.357 -4.484 -0.880 1.00 0.00 C ATOM 959 C LEU A 62 -6.019 -5.722 -0.055 1.00 0.00 C ATOM 960 O LEU A 62 -5.050 -5.729 0.705 1.00 0.00 O ATOM 961 CB LEU A 62 -5.627 -4.539 -2.224 1.00 0.00 C ATOM 962 CG LEU A 62 -5.304 -3.191 -2.868 1.00 0.00 C ATOM 963 CD1 LEU A 62 -4.043 -3.291 -3.713 1.00 0.00 C ATOM 964 CD2 LEU A 62 -6.476 -2.708 -3.710 1.00 0.00 C ATOM 0 H LEU A 62 -5.074 -3.286 0.269 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.433 -4.470 -1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.694 -5.086 -2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.234 -5.116 -2.921 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.128 -2.464 -2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.829 -2.322 -4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.206 -3.591 -3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.190 -4.032 -4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.228 -1.747 -4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.684 -3.435 -4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.357 -2.596 -3.078 1.00 0.00 H new ATOM 976 N ASP A 63 -6.824 -6.767 -0.210 1.00 0.00 N ATOM 977 CA ASP A 63 -6.611 -8.012 0.519 1.00 0.00 C ATOM 978 C ASP A 63 -6.631 -9.207 -0.430 1.00 0.00 C ATOM 979 O ASP A 63 -7.688 -9.608 -0.916 1.00 0.00 O ATOM 980 CB ASP A 63 -7.679 -8.186 1.600 1.00 0.00 C ATOM 981 CG ASP A 63 -9.055 -7.760 1.126 1.00 0.00 C ATOM 982 OD1 ASP A 63 -9.416 -8.092 -0.022 1.00 0.00 O ATOM 983 OD2 ASP A 63 -9.771 -7.095 1.905 1.00 0.00 O ATOM 0 H ASP A 63 -7.631 -6.777 -0.834 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.631 -7.963 0.993 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.712 -9.230 1.910 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.403 -7.601 2.478 1.00 0.00 H new ATOM 988 N GLU A 64 -5.454 -9.769 -0.690 1.00 0.00 N ATOM 989 CA GLU A 64 -5.338 -10.916 -1.582 1.00 0.00 C ATOM 990 C GLU A 64 -5.370 -12.224 -0.794 1.00 0.00 C ATOM 991 O GLU A 64 -5.004 -12.262 0.380 1.00 0.00 O ATOM 992 CB GLU A 64 -4.044 -10.829 -2.395 1.00 0.00 C ATOM 993 CG GLU A 64 -4.100 -9.811 -3.521 1.00 0.00 C ATOM 994 CD GLU A 64 -2.866 -9.847 -4.402 1.00 0.00 C ATOM 995 OE1 GLU A 64 -1.746 -9.840 -3.852 1.00 0.00 O ATOM 996 OE2 GLU A 64 -3.021 -9.882 -5.641 1.00 0.00 O ATOM 0 H GLU A 64 -4.569 -9.449 -0.296 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.189 -10.902 -2.263 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.221 -10.574 -1.727 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.822 -11.810 -2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.983 -9.998 -4.132 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.211 -8.813 -3.098 1.00 0.00 H new ATOM 1003 N ARG A 65 -5.811 -13.292 -1.451 1.00 0.00 N ATOM 1004 CA ARG A 65 -5.892 -14.600 -0.812 1.00 0.00 C ATOM 1005 C ARG A 65 -6.294 -14.466 0.653 1.00 0.00 C ATOM 1006 O ARG A 65 -5.755 -15.154 1.520 1.00 0.00 O ATOM 1007 CB ARG A 65 -4.551 -15.328 -0.920 1.00 0.00 C ATOM 1008 CG ARG A 65 -3.424 -14.644 -0.164 1.00 0.00 C ATOM 1009 CD ARG A 65 -2.089 -15.325 -0.419 1.00 0.00 C ATOM 1010 NE ARG A 65 -1.094 -14.973 0.591 1.00 0.00 N ATOM 1011 CZ ARG A 65 0.212 -15.161 0.433 1.00 0.00 C ATOM 1012 NH1 ARG A 65 0.677 -15.694 -0.688 1.00 0.00 N ATOM 1013 NH2 ARG A 65 1.055 -14.814 1.398 1.00 0.00 N ATOM 0 H ARG A 65 -6.117 -13.277 -2.424 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.656 -15.182 -1.328 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.667 -16.344 -0.541 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.275 -15.409 -1.971 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.364 -13.598 -0.466 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.641 -14.655 0.904 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.229 -16.406 -0.429 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.720 -15.043 -1.405 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.419 -14.560 1.465 1.00 0.00 H new ATOM 0 HH11 ARG A 65 0.032 -15.961 -1.432 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.680 -15.837 -0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.700 -14.403 2.261 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.057 -14.959 1.276 1.00 0.00 H new ATOM 1027 N SER A 66 -7.245 -13.576 0.922 1.00 0.00 N ATOM 1028 CA SER A 66 -7.716 -13.349 2.283 1.00 0.00 C ATOM 1029 C SER A 66 -9.241 -13.357 2.338 1.00 0.00 C ATOM 1030 O SER A 66 -9.909 -12.754 1.497 1.00 0.00 O ATOM 1031 CB SER A 66 -7.183 -12.016 2.813 1.00 0.00 C ATOM 1032 OG SER A 66 -7.170 -12.000 4.230 1.00 0.00 O ATOM 0 H SER A 66 -7.704 -13.001 0.215 1.00 0.00 H new ATOM 0 HA SER A 66 -7.342 -14.158 2.911 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.175 -11.848 2.435 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.803 -11.200 2.442 1.00 0.00 H new ATOM 0 HG SER A 66 -6.824 -11.139 4.544 1.00 0.00 H new ATOM 1038 N LYS A 67 -9.786 -14.048 3.335 1.00 0.00 N ATOM 1039 CA LYS A 67 -11.232 -14.137 3.503 1.00 0.00 C ATOM 1040 C LYS A 67 -11.751 -12.981 4.354 1.00 0.00 C ATOM 1041 O LYS A 67 -11.906 -13.114 5.567 1.00 0.00 O ATOM 1042 CB LYS A 67 -11.609 -15.471 4.150 1.00 0.00 C ATOM 1043 CG LYS A 67 -13.002 -15.951 3.783 1.00 0.00 C ATOM 1044 CD LYS A 67 -14.071 -15.226 4.581 1.00 0.00 C ATOM 1045 CE LYS A 67 -14.333 -15.910 5.914 1.00 0.00 C ATOM 1046 NZ LYS A 67 -14.956 -17.250 5.736 1.00 0.00 N ATOM 0 H LYS A 67 -9.248 -14.554 4.038 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.693 -14.076 2.517 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.883 -16.228 3.853 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.541 -15.372 5.233 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.173 -15.794 2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.077 -17.023 3.963 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.761 -14.196 4.755 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.994 -15.188 4.003 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.395 -16.015 6.459 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.986 -15.284 6.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.479 -17.507 6.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.610 -17.224 4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.214 -17.957 5.558 1.00 0.00 H new ATOM 1060 N GLU A 68 -12.024 -11.852 3.708 1.00 0.00 N ATOM 1061 CA GLU A 68 -12.527 -10.675 4.406 1.00 0.00 C ATOM 1062 C GLU A 68 -13.524 -9.913 3.538 1.00 0.00 C ATOM 1063 O GLU A 68 -13.199 -9.483 2.431 1.00 0.00 O ATOM 1064 CB GLU A 68 -11.371 -9.756 4.802 1.00 0.00 C ATOM 1065 CG GLU A 68 -11.802 -8.560 5.634 1.00 0.00 C ATOM 1066 CD GLU A 68 -10.654 -7.615 5.937 1.00 0.00 C ATOM 1067 OE1 GLU A 68 -9.900 -7.885 6.894 1.00 0.00 O ATOM 1068 OE2 GLU A 68 -10.512 -6.606 5.215 1.00 0.00 O ATOM 0 H GLU A 68 -11.905 -11.728 2.703 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.039 -11.010 5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.636 -10.332 5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.875 -9.400 3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.585 -8.017 5.104 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.236 -8.911 6.570 1.00 0.00 H new ATOM 1075 N TYR A 69 -14.740 -9.749 4.048 1.00 0.00 N ATOM 1076 CA TYR A 69 -15.787 -9.042 3.320 1.00 0.00 C ATOM 1077 C TYR A 69 -16.356 -7.901 4.158 1.00 0.00 C ATOM 1078 O TYR A 69 -16.160 -7.849 5.372 1.00 0.00 O ATOM 1079 CB TYR A 69 -16.904 -10.008 2.925 1.00 0.00 C ATOM 1080 CG TYR A 69 -16.402 -11.353 2.449 1.00 0.00 C ATOM 1081 CD1 TYR A 69 -15.426 -11.444 1.464 1.00 0.00 C ATOM 1082 CD2 TYR A 69 -16.905 -12.532 2.984 1.00 0.00 C ATOM 1083 CE1 TYR A 69 -14.966 -12.671 1.026 1.00 0.00 C ATOM 1084 CE2 TYR A 69 -16.448 -13.763 2.553 1.00 0.00 C ATOM 1085 CZ TYR A 69 -15.479 -13.826 1.573 1.00 0.00 C ATOM 1086 OH TYR A 69 -15.023 -15.051 1.140 1.00 0.00 O ATOM 0 H TYR A 69 -15.025 -10.097 4.964 1.00 0.00 H new ATOM 0 HA TYR A 69 -15.346 -8.620 2.417 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.563 -10.158 3.780 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -17.504 -9.554 2.136 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -15.020 -10.540 1.034 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -17.666 -12.486 3.749 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -14.208 -12.724 0.259 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -16.847 -14.671 2.981 1.00 0.00 H new ATOM 0 HH TYR A 69 -15.486 -15.764 1.628 1.00 0.00 H new ATOM 1096 N SER A 70 -17.065 -6.989 3.498 1.00 0.00 N ATOM 1097 CA SER A 70 -17.662 -5.847 4.180 1.00 0.00 C ATOM 1098 C SER A 70 -19.113 -5.655 3.748 1.00 0.00 C ATOM 1099 O SER A 70 -19.956 -5.232 4.539 1.00 0.00 O ATOM 1100 CB SER A 70 -16.860 -4.577 3.890 1.00 0.00 C ATOM 1101 OG SER A 70 -17.067 -3.603 4.898 1.00 0.00 O ATOM 0 H SER A 70 -17.239 -7.019 2.493 1.00 0.00 H new ATOM 0 HA SER A 70 -17.643 -6.044 5.252 1.00 0.00 H new ATOM 0 HB2 SER A 70 -15.799 -4.819 3.826 1.00 0.00 H new ATOM 0 HB3 SER A 70 -17.153 -4.171 2.922 1.00 0.00 H new ATOM 0 HG SER A 70 -16.543 -2.801 4.691 1.00 0.00 H new ATOM 1107 N ILE A 71 -19.396 -5.969 2.488 1.00 0.00 N ATOM 1108 CA ILE A 71 -20.744 -5.834 1.951 1.00 0.00 C ATOM 1109 C ILE A 71 -21.745 -6.644 2.767 1.00 0.00 C ATOM 1110 O ILE A 71 -21.381 -7.616 3.428 1.00 0.00 O ATOM 1111 CB ILE A 71 -20.812 -6.286 0.481 1.00 0.00 C ATOM 1112 CG1 ILE A 71 -20.393 -7.751 0.355 1.00 0.00 C ATOM 1113 CG2 ILE A 71 -19.930 -5.400 -0.388 1.00 0.00 C ATOM 1114 CD1 ILE A 71 -20.925 -8.428 -0.888 1.00 0.00 C ATOM 0 H ILE A 71 -18.709 -6.319 1.820 1.00 0.00 H new ATOM 0 HA ILE A 71 -21.002 -4.777 2.010 1.00 0.00 H new ATOM 0 HB ILE A 71 -21.841 -6.191 0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -19.305 -7.810 0.353 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -20.740 -8.296 1.233 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -19.989 -5.733 -1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -20.271 -4.367 -0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -18.898 -5.465 -0.044 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -20.588 -9.464 -0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -22.015 -8.401 -0.879 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -20.557 -7.907 -1.772 1.00 0.00 H new ATOM 1126 N ALA A 72 -23.010 -6.235 2.717 1.00 0.00 N ATOM 1127 CA ALA A 72 -24.065 -6.925 3.448 1.00 0.00 C ATOM 1128 C ALA A 72 -25.205 -7.326 2.519 1.00 0.00 C ATOM 1129 O ALA A 72 -26.005 -6.488 2.107 1.00 0.00 O ATOM 1130 CB ALA A 72 -24.584 -6.047 4.577 1.00 0.00 C ATOM 0 H ALA A 72 -23.328 -5.430 2.178 1.00 0.00 H new ATOM 0 HA ALA A 72 -23.643 -7.835 3.875 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -25.372 -6.574 5.115 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -23.769 -5.816 5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -24.984 -5.121 4.163 1.00 0.00 H new ATOM 1136 N SER A 73 -25.272 -8.613 2.193 1.00 0.00 N ATOM 1137 CA SER A 73 -26.311 -9.124 1.307 1.00 0.00 C ATOM 1138 C SER A 73 -27.680 -8.575 1.702 1.00 0.00 C ATOM 1139 O SER A 73 -27.852 -8.032 2.793 1.00 0.00 O ATOM 1140 CB SER A 73 -26.335 -10.654 1.342 1.00 0.00 C ATOM 1141 OG SER A 73 -25.457 -11.199 0.372 1.00 0.00 O ATOM 0 H SER A 73 -24.619 -9.321 2.529 1.00 0.00 H new ATOM 0 HA SER A 73 -26.083 -8.794 0.293 1.00 0.00 H new ATOM 0 HB2 SER A 73 -26.048 -11.003 2.334 1.00 0.00 H new ATOM 0 HB3 SER A 73 -27.349 -11.009 1.160 1.00 0.00 H new ATOM 0 HG SER A 73 -25.489 -12.178 0.415 1.00 0.00 H new ATOM 1147 N GLY A 74 -28.651 -8.720 0.807 1.00 0.00 N ATOM 1148 CA GLY A 74 -29.990 -8.234 1.078 1.00 0.00 C ATOM 1149 C GLY A 74 -30.898 -8.329 -0.132 1.00 0.00 C ATOM 1150 O GLY A 74 -31.218 -7.329 -0.774 1.00 0.00 O ATOM 0 H GLY A 74 -28.534 -9.166 -0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -30.422 -8.807 1.898 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -29.937 -7.196 1.408 1.00 0.00 H new ATOM 1154 N PRO A 75 -31.327 -9.557 -0.459 1.00 0.00 N ATOM 1155 CA PRO A 75 -32.209 -9.808 -1.603 1.00 0.00 C ATOM 1156 C PRO A 75 -33.618 -9.268 -1.379 1.00 0.00 C ATOM 1157 O PRO A 75 -34.300 -9.660 -0.432 1.00 0.00 O ATOM 1158 CB PRO A 75 -32.232 -11.334 -1.706 1.00 0.00 C ATOM 1159 CG PRO A 75 -31.923 -11.812 -0.328 1.00 0.00 C ATOM 1160 CD PRO A 75 -30.986 -10.795 0.261 1.00 0.00 C ATOM 0 HA PRO A 75 -31.855 -9.312 -2.506 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -33.205 -11.693 -2.041 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -31.495 -11.693 -2.424 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -32.831 -11.898 0.268 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -31.463 -12.800 -0.351 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -31.134 -10.688 1.336 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -29.943 -11.074 0.109 1.00 0.00 H new ATOM 1168 N SER A 76 -34.049 -8.367 -2.257 1.00 0.00 N ATOM 1169 CA SER A 76 -35.375 -7.773 -2.152 1.00 0.00 C ATOM 1170 C SER A 76 -36.460 -8.808 -2.434 1.00 0.00 C ATOM 1171 O SER A 76 -37.449 -8.901 -1.707 1.00 0.00 O ATOM 1172 CB SER A 76 -35.510 -6.600 -3.126 1.00 0.00 C ATOM 1173 OG SER A 76 -35.191 -6.997 -4.449 1.00 0.00 O ATOM 0 H SER A 76 -33.499 -8.033 -3.048 1.00 0.00 H new ATOM 0 HA SER A 76 -35.502 -7.408 -1.133 1.00 0.00 H new ATOM 0 HB2 SER A 76 -36.528 -6.212 -3.095 1.00 0.00 H new ATOM 0 HB3 SER A 76 -34.851 -5.789 -2.817 1.00 0.00 H new ATOM 0 HG SER A 76 -35.286 -6.231 -5.052 1.00 0.00 H new ATOM 1179 N SER A 77 -36.266 -9.586 -3.493 1.00 0.00 N ATOM 1180 CA SER A 77 -37.228 -10.615 -3.874 1.00 0.00 C ATOM 1181 C SER A 77 -36.953 -11.918 -3.130 1.00 0.00 C ATOM 1182 O SER A 77 -37.014 -13.001 -3.709 1.00 0.00 O ATOM 1183 CB SER A 77 -37.177 -10.856 -5.384 1.00 0.00 C ATOM 1184 OG SER A 77 -38.378 -11.452 -5.844 1.00 0.00 O ATOM 0 H SER A 77 -35.451 -9.524 -4.103 1.00 0.00 H new ATOM 0 HA SER A 77 -38.224 -10.265 -3.602 1.00 0.00 H new ATOM 0 HB2 SER A 77 -37.015 -9.911 -5.901 1.00 0.00 H new ATOM 0 HB3 SER A 77 -36.332 -11.500 -5.625 1.00 0.00 H new ATOM 0 HG SER A 77 -38.536 -12.288 -5.357 1.00 0.00 H new ATOM 1190 N GLY A 78 -36.649 -11.804 -1.840 1.00 0.00 N ATOM 1191 CA GLY A 78 -36.368 -12.980 -1.037 1.00 0.00 C ATOM 1192 C GLY A 78 -37.526 -13.354 -0.135 1.00 0.00 C ATOM 1193 O GLY A 78 -37.986 -14.497 -0.144 1.00 0.00 O ATOM 0 H GLY A 78 -36.592 -10.918 -1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -36.137 -13.819 -1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -35.482 -12.798 -0.429 1.00 0.00 H new TER 1197 GLY A 78