USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 733 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 52 LYS NZ :NH3+ -172:sc= 1.27 (180deg=0) USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= 1.07 USER MOD Set 2.1: A 47 MET CE :methyl -161:sc= 0 (180deg=-0.0341) USER MOD Set 2.2: A 50 CYS SG : rot -130:sc= -2.27! USER MOD Set 3.1: A 25 GLN : amide:sc= 2.08 K(o=3.3,f=-4.2) USER MOD Set 3.2: A 28 LYS NZ :NH3+ 161:sc= 1.22 (180deg=0) USER MOD Set 4.1: A 20 SER OG : rot 180:sc= 0.0265 USER MOD Set 4.2: A 21 THR OG1 : rot 180:sc= 0.0638 USER MOD Single : A 3 TYR OH : rot -142:sc= 1.27 USER MOD Single : A 13 LYS NZ :NH3+ -143:sc= 1.27 (180deg=0.057) USER MOD Single : A 17 LYS NZ :NH3+ 140:sc= 1.31 (180deg=1.16) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 148:sc= 1.17 (180deg=0.344) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 43 LYS NZ :NH3+ -124:sc= -0.104 (180deg=-1.86!) USER MOD Single : A 51 TYR OH : rot 30:sc= -0.486 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -150:sc=-0.00251 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot -130:sc= -0.446 USER MOD Single : A 65 GLN : amide:sc= -2.13! K(o=-2.1!,f=-0.68) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 9.151 12.950 -4.388 1.00 0.00 N ATOM 19 CA ALA A 2 7.968 12.190 -4.708 1.00 0.00 C ATOM 20 C ALA A 2 8.361 10.862 -5.309 1.00 0.00 C ATOM 21 O ALA A 2 9.437 10.733 -5.901 1.00 0.00 O ATOM 22 CB ALA A 2 7.068 12.964 -5.657 1.00 0.00 C ATOM 0 HA ALA A 2 7.408 12.010 -3.790 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.182 12.370 -5.884 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.767 13.901 -5.189 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.609 13.176 -6.579 1.00 0.00 H new ATOM 28 N TYR A 3 7.522 9.890 -5.147 1.00 0.00 N ATOM 29 CA TYR A 3 7.781 8.559 -5.637 1.00 0.00 C ATOM 30 C TYR A 3 6.681 8.157 -6.597 1.00 0.00 C ATOM 31 O TYR A 3 5.601 8.756 -6.597 1.00 0.00 O ATOM 32 CB TYR A 3 7.829 7.552 -4.471 1.00 0.00 C ATOM 33 CG TYR A 3 8.985 7.720 -3.487 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.082 8.836 -2.664 1.00 0.00 C ATOM 35 CD2 TYR A 3 9.966 6.747 -3.378 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.120 8.979 -1.769 1.00 0.00 C ATOM 37 CE2 TYR A 3 11.004 6.880 -2.477 1.00 0.00 C ATOM 38 CZ TYR A 3 11.076 7.995 -1.677 1.00 0.00 C ATOM 39 OH TYR A 3 12.111 8.125 -0.775 1.00 0.00 O ATOM 0 H TYR A 3 6.627 9.990 -4.668 1.00 0.00 H new ATOM 0 HA TYR A 3 8.745 8.554 -6.146 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.893 7.624 -3.917 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.876 6.546 -4.888 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.328 9.607 -2.727 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.918 5.871 -4.008 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.182 9.858 -1.144 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.757 6.110 -2.401 1.00 0.00 H new ATOM 0 HH TYR A 3 12.937 7.780 -1.173 1.00 0.00 H new ATOM 49 N PHE A 4 6.952 7.176 -7.411 1.00 0.00 N ATOM 50 CA PHE A 4 5.966 6.640 -8.322 1.00 0.00 C ATOM 51 C PHE A 4 5.068 5.685 -7.550 1.00 0.00 C ATOM 52 O PHE A 4 5.439 5.232 -6.480 1.00 0.00 O ATOM 53 CB PHE A 4 6.649 5.921 -9.493 1.00 0.00 C ATOM 54 CG PHE A 4 7.482 6.824 -10.361 1.00 0.00 C ATOM 55 CD1 PHE A 4 6.879 7.714 -11.235 1.00 0.00 C ATOM 56 CD2 PHE A 4 8.867 6.790 -10.298 1.00 0.00 C ATOM 57 CE1 PHE A 4 7.637 8.549 -12.029 1.00 0.00 C ATOM 58 CE2 PHE A 4 9.631 7.624 -11.090 1.00 0.00 C ATOM 59 CZ PHE A 4 9.016 8.504 -11.957 1.00 0.00 C ATOM 0 H PHE A 4 7.863 6.721 -7.466 1.00 0.00 H new ATOM 0 HA PHE A 4 5.367 7.449 -8.740 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.283 5.127 -9.099 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.886 5.444 -10.108 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.801 7.754 -11.295 1.00 0.00 H new ATOM 0 HD2 PHE A 4 9.354 6.103 -9.621 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.153 9.237 -12.706 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.709 7.588 -11.031 1.00 0.00 H new ATOM 0 HZ PHE A 4 9.612 9.156 -12.578 1.00 0.00 H new ATOM 69 N LEU A 5 3.908 5.400 -8.056 1.00 0.00 N ATOM 70 CA LEU A 5 2.989 4.519 -7.361 1.00 0.00 C ATOM 71 C LEU A 5 2.589 3.395 -8.325 1.00 0.00 C ATOM 72 O LEU A 5 2.258 3.664 -9.497 1.00 0.00 O ATOM 73 CB LEU A 5 1.744 5.338 -6.905 1.00 0.00 C ATOM 74 CG LEU A 5 0.903 4.820 -5.702 1.00 0.00 C ATOM 75 CD1 LEU A 5 0.345 3.430 -5.920 1.00 0.00 C ATOM 76 CD2 LEU A 5 1.702 4.879 -4.417 1.00 0.00 C ATOM 0 H LEU A 5 3.565 5.759 -8.947 1.00 0.00 H new ATOM 0 HA LEU A 5 3.452 4.084 -6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.083 6.345 -6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.075 5.426 -7.761 1.00 0.00 H new ATOM 0 HG LEU A 5 0.047 5.489 -5.618 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.231 3.128 -5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.302 3.431 -6.798 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.165 2.729 -6.074 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.092 4.512 -3.592 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.593 4.258 -4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.997 5.909 -4.219 1.00 0.00 H new ATOM 88 N ASP A 6 2.655 2.157 -7.872 1.00 0.00 N ATOM 89 CA ASP A 6 2.235 1.026 -8.691 1.00 0.00 C ATOM 90 C ASP A 6 1.592 -0.033 -7.791 1.00 0.00 C ATOM 91 O ASP A 6 1.869 -0.072 -6.587 1.00 0.00 O ATOM 92 CB ASP A 6 3.427 0.431 -9.458 1.00 0.00 C ATOM 93 CG ASP A 6 2.985 -0.443 -10.613 1.00 0.00 C ATOM 94 OD1 ASP A 6 2.694 -1.617 -10.417 1.00 0.00 O ATOM 95 OD2 ASP A 6 2.884 0.069 -11.745 1.00 0.00 O ATOM 0 H ASP A 6 2.994 1.905 -6.944 1.00 0.00 H new ATOM 0 HA ASP A 6 1.507 1.369 -9.427 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.054 1.239 -9.835 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.040 -0.156 -8.774 1.00 0.00 H new ATOM 100 N PHE A 7 0.739 -0.866 -8.353 1.00 0.00 N ATOM 101 CA PHE A 7 0.019 -1.884 -7.599 1.00 0.00 C ATOM 102 C PHE A 7 0.338 -3.277 -8.114 1.00 0.00 C ATOM 103 O PHE A 7 0.401 -3.501 -9.332 1.00 0.00 O ATOM 104 CB PHE A 7 -1.514 -1.689 -7.714 1.00 0.00 C ATOM 105 CG PHE A 7 -2.076 -0.438 -7.094 1.00 0.00 C ATOM 106 CD1 PHE A 7 -2.070 0.763 -7.781 1.00 0.00 C ATOM 107 CD2 PHE A 7 -2.628 -0.474 -5.827 1.00 0.00 C ATOM 108 CE1 PHE A 7 -2.599 1.904 -7.214 1.00 0.00 C ATOM 109 CE2 PHE A 7 -3.160 0.664 -5.255 1.00 0.00 C ATOM 110 CZ PHE A 7 -3.145 1.855 -5.950 1.00 0.00 C ATOM 0 H PHE A 7 0.522 -0.859 -9.350 1.00 0.00 H new ATOM 0 HA PHE A 7 0.337 -1.781 -6.561 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.781 -1.697 -8.771 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -2.003 -2.548 -7.255 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.646 0.808 -8.773 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.643 -1.404 -5.278 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.585 2.835 -7.761 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.588 0.622 -4.264 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.560 2.747 -5.505 1.00 0.00 H new ATOM 120 N ASP A 8 0.545 -4.200 -7.203 1.00 0.00 N ATOM 121 CA ASP A 8 0.660 -5.622 -7.540 1.00 0.00 C ATOM 122 C ASP A 8 -0.669 -6.089 -8.124 1.00 0.00 C ATOM 123 O ASP A 8 -1.704 -5.484 -7.824 1.00 0.00 O ATOM 124 CB ASP A 8 0.991 -6.444 -6.284 1.00 0.00 C ATOM 125 CG ASP A 8 0.899 -7.930 -6.525 1.00 0.00 C ATOM 126 OD1 ASP A 8 1.833 -8.527 -7.080 1.00 0.00 O ATOM 127 OD2 ASP A 8 -0.137 -8.526 -6.197 1.00 0.00 O ATOM 0 H ASP A 8 0.640 -3.999 -6.207 1.00 0.00 H new ATOM 0 HA ASP A 8 1.462 -5.763 -8.265 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.997 -6.196 -5.946 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.308 -6.166 -5.482 1.00 0.00 H new ATOM 132 N GLU A 9 -0.660 -7.140 -8.946 1.00 0.00 N ATOM 133 CA GLU A 9 -1.883 -7.625 -9.572 1.00 0.00 C ATOM 134 C GLU A 9 -2.984 -7.905 -8.539 1.00 0.00 C ATOM 135 O GLU A 9 -4.131 -7.515 -8.746 1.00 0.00 O ATOM 136 CB GLU A 9 -1.649 -8.886 -10.413 1.00 0.00 C ATOM 137 CG GLU A 9 -1.118 -10.075 -9.641 1.00 0.00 C ATOM 138 CD GLU A 9 -1.280 -11.355 -10.392 1.00 0.00 C ATOM 139 OE1 GLU A 9 -0.408 -11.702 -11.213 1.00 0.00 O ATOM 140 OE2 GLU A 9 -2.284 -12.051 -10.169 1.00 0.00 O ATOM 0 H GLU A 9 0.178 -7.667 -9.191 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.211 -6.823 -10.233 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.589 -9.169 -10.887 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.948 -8.647 -11.213 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.063 -9.918 -9.417 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.639 -10.148 -8.686 1.00 0.00 H new ATOM 147 N ARG A 10 -2.627 -8.510 -7.403 1.00 0.00 N ATOM 148 CA ARG A 10 -3.615 -8.862 -6.409 1.00 0.00 C ATOM 149 C ARG A 10 -4.121 -7.637 -5.711 1.00 0.00 C ATOM 150 O ARG A 10 -5.321 -7.511 -5.452 1.00 0.00 O ATOM 151 CB ARG A 10 -3.107 -9.901 -5.416 1.00 0.00 C ATOM 152 CG ARG A 10 -2.794 -11.249 -6.045 1.00 0.00 C ATOM 153 CD ARG A 10 -2.521 -12.281 -4.977 1.00 0.00 C ATOM 154 NE ARG A 10 -2.289 -13.617 -5.524 1.00 0.00 N ATOM 155 CZ ARG A 10 -2.368 -14.749 -4.809 1.00 0.00 C ATOM 156 NH1 ARG A 10 -2.676 -14.706 -3.516 1.00 0.00 N ATOM 157 NH2 ARG A 10 -2.130 -15.923 -5.389 1.00 0.00 N ATOM 0 H ARG A 10 -1.668 -8.760 -7.160 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.448 -9.328 -6.936 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.208 -9.519 -4.932 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.855 -10.040 -4.635 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.631 -11.571 -6.664 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.928 -11.158 -6.701 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.650 -11.975 -4.397 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.366 -12.317 -4.289 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.052 -13.693 -6.513 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.853 -13.809 -3.064 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.735 -15.570 -2.977 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.887 -15.963 -6.379 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.191 -16.783 -4.844 1.00 0.00 H new ATOM 171 N ALA A 11 -3.223 -6.707 -5.473 1.00 0.00 N ATOM 172 CA ALA A 11 -3.577 -5.445 -4.866 1.00 0.00 C ATOM 173 C ALA A 11 -4.493 -4.664 -5.801 1.00 0.00 C ATOM 174 O ALA A 11 -5.405 -3.988 -5.367 1.00 0.00 O ATOM 175 CB ALA A 11 -2.329 -4.638 -4.547 1.00 0.00 C ATOM 0 H ALA A 11 -2.232 -6.804 -5.694 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.105 -5.637 -3.932 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.615 -3.691 -4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.700 -5.199 -3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.776 -4.445 -5.466 1.00 0.00 H new ATOM 181 N LEU A 12 -4.278 -4.824 -7.095 1.00 0.00 N ATOM 182 CA LEU A 12 -5.054 -4.128 -8.093 1.00 0.00 C ATOM 183 C LEU A 12 -6.449 -4.734 -8.177 1.00 0.00 C ATOM 184 O LEU A 12 -7.424 -4.032 -8.447 1.00 0.00 O ATOM 185 CB LEU A 12 -4.369 -4.180 -9.462 1.00 0.00 C ATOM 186 CG LEU A 12 -4.978 -3.307 -10.568 1.00 0.00 C ATOM 187 CD1 LEU A 12 -4.895 -1.828 -10.209 1.00 0.00 C ATOM 188 CD2 LEU A 12 -4.290 -3.580 -11.897 1.00 0.00 C ATOM 0 H LEU A 12 -3.561 -5.440 -7.478 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.133 -3.082 -7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.327 -3.889 -9.333 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.371 -5.215 -9.805 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.032 -3.566 -10.664 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.334 -1.234 -11.011 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.441 -1.647 -9.283 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.851 -1.544 -10.076 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.733 -2.954 -12.671 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.227 -3.353 -11.810 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.416 -4.629 -12.163 1.00 0.00 H new ATOM 200 N LYS A 13 -6.538 -6.044 -7.971 1.00 0.00 N ATOM 201 CA LYS A 13 -7.821 -6.744 -7.988 1.00 0.00 C ATOM 202 C LYS A 13 -8.658 -6.273 -6.822 1.00 0.00 C ATOM 203 O LYS A 13 -9.827 -5.944 -6.982 1.00 0.00 O ATOM 204 CB LYS A 13 -7.603 -8.254 -7.892 1.00 0.00 C ATOM 205 CG LYS A 13 -6.797 -8.821 -9.038 1.00 0.00 C ATOM 206 CD LYS A 13 -6.344 -10.232 -8.764 1.00 0.00 C ATOM 207 CE LYS A 13 -5.377 -10.709 -9.842 1.00 0.00 C ATOM 208 NZ LYS A 13 -4.926 -12.101 -9.628 1.00 0.00 N ATOM 0 H LYS A 13 -5.735 -6.646 -7.790 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.336 -6.526 -8.923 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.096 -8.481 -6.954 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.572 -8.752 -7.859 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.397 -8.803 -9.948 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.927 -8.189 -9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.861 -10.281 -7.788 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.208 -10.895 -8.725 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.859 -10.633 -10.816 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.509 -10.050 -9.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.927 -12.189 -9.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.030 -12.349 -8.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.503 -12.745 -10.206 1.00 0.00 H new ATOM 222 N GLU A 14 -8.026 -6.174 -5.664 1.00 0.00 N ATOM 223 CA GLU A 14 -8.688 -5.695 -4.478 1.00 0.00 C ATOM 224 C GLU A 14 -9.041 -4.218 -4.624 1.00 0.00 C ATOM 225 O GLU A 14 -10.095 -3.805 -4.230 1.00 0.00 O ATOM 226 CB GLU A 14 -7.806 -5.916 -3.263 1.00 0.00 C ATOM 227 CG GLU A 14 -7.490 -7.376 -2.995 1.00 0.00 C ATOM 228 CD GLU A 14 -8.714 -8.198 -2.671 1.00 0.00 C ATOM 229 OE1 GLU A 14 -9.322 -7.990 -1.604 1.00 0.00 O ATOM 230 OE2 GLU A 14 -9.088 -9.078 -3.470 1.00 0.00 O ATOM 0 H GLU A 14 -7.046 -6.423 -5.527 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.613 -6.255 -4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.872 -5.371 -3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.297 -5.493 -2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.996 -7.801 -3.869 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.785 -7.443 -2.166 1.00 0.00 H new ATOM 237 N TRP A 15 -8.150 -3.458 -5.233 1.00 0.00 N ATOM 238 CA TRP A 15 -8.339 -2.022 -5.480 1.00 0.00 C ATOM 239 C TRP A 15 -9.578 -1.759 -6.357 1.00 0.00 C ATOM 240 O TRP A 15 -10.332 -0.811 -6.126 1.00 0.00 O ATOM 241 CB TRP A 15 -7.068 -1.461 -6.149 1.00 0.00 C ATOM 242 CG TRP A 15 -7.135 -0.026 -6.556 1.00 0.00 C ATOM 243 CD1 TRP A 15 -7.406 0.450 -7.801 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.911 1.117 -5.725 1.00 0.00 C ATOM 245 NE1 TRP A 15 -7.385 1.820 -7.797 1.00 0.00 N ATOM 246 CE2 TRP A 15 -7.077 2.257 -6.534 1.00 0.00 C ATOM 247 CE3 TRP A 15 -6.590 1.288 -4.374 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.931 3.548 -6.039 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -6.444 2.570 -3.887 1.00 0.00 C ATOM 250 CH2 TRP A 15 -6.614 3.684 -4.716 1.00 0.00 C ATOM 0 H TRP A 15 -7.259 -3.816 -5.578 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.508 -1.518 -4.529 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -6.231 -1.587 -5.462 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -6.848 -2.061 -7.032 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -7.608 -0.163 -8.667 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.569 2.418 -8.603 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -6.459 0.434 -3.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -7.063 4.411 -6.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -6.194 2.717 -2.847 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.492 4.674 -4.302 1.00 0.00 H new ATOM 261 N ARG A 16 -9.777 -2.592 -7.352 1.00 0.00 N ATOM 262 CA ARG A 16 -10.934 -2.469 -8.239 1.00 0.00 C ATOM 263 C ARG A 16 -12.200 -2.929 -7.544 1.00 0.00 C ATOM 264 O ARG A 16 -13.288 -2.383 -7.753 1.00 0.00 O ATOM 265 CB ARG A 16 -10.701 -3.268 -9.501 1.00 0.00 C ATOM 266 CG ARG A 16 -9.700 -2.640 -10.439 1.00 0.00 C ATOM 267 CD ARG A 16 -9.327 -3.597 -11.536 1.00 0.00 C ATOM 268 NE ARG A 16 -8.400 -4.630 -11.054 1.00 0.00 N ATOM 269 CZ ARG A 16 -8.188 -5.804 -11.652 1.00 0.00 C ATOM 270 NH1 ARG A 16 -9.063 -6.273 -12.525 1.00 0.00 N ATOM 271 NH2 ARG A 16 -7.146 -6.543 -11.309 1.00 0.00 N ATOM 0 H ARG A 16 -9.155 -3.369 -7.577 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.060 -1.419 -8.503 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.356 -4.266 -9.230 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.650 -3.390 -10.024 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.119 -1.731 -10.870 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.808 -2.349 -9.885 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.227 -4.069 -11.931 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.868 -3.049 -12.359 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.880 -4.435 -10.199 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.903 -5.737 -12.743 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.898 -7.171 -12.980 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.504 -6.216 -10.587 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.984 -7.440 -11.766 1.00 0.00 H new ATOM 285 N LYS A 17 -12.027 -3.909 -6.708 1.00 0.00 N ATOM 286 CA LYS A 17 -13.092 -4.511 -5.930 1.00 0.00 C ATOM 287 C LYS A 17 -13.487 -3.608 -4.762 1.00 0.00 C ATOM 288 O LYS A 17 -14.577 -3.746 -4.194 1.00 0.00 O ATOM 289 CB LYS A 17 -12.573 -5.832 -5.395 1.00 0.00 C ATOM 290 CG LYS A 17 -13.570 -6.706 -4.652 1.00 0.00 C ATOM 291 CD LYS A 17 -12.866 -7.917 -4.050 1.00 0.00 C ATOM 292 CE LYS A 17 -12.104 -8.693 -5.107 1.00 0.00 C ATOM 293 NZ LYS A 17 -11.380 -9.844 -4.543 1.00 0.00 N ATOM 0 H LYS A 17 -11.115 -4.332 -6.536 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.973 -4.657 -6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.175 -6.406 -6.232 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.738 -5.624 -4.726 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.053 -6.129 -3.864 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.355 -7.034 -5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.179 -7.590 -3.270 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.600 -8.569 -3.576 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.800 -9.043 -5.870 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.396 -8.029 -5.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.458 -10.654 -5.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.378 -9.596 -4.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.792 -10.096 -3.622 1.00 0.00 H new ATOM 307 N LEU A 18 -12.607 -2.705 -4.413 1.00 0.00 N ATOM 308 CA LEU A 18 -12.821 -1.835 -3.297 1.00 0.00 C ATOM 309 C LEU A 18 -13.875 -0.797 -3.604 1.00 0.00 C ATOM 310 O LEU A 18 -14.186 -0.529 -4.771 1.00 0.00 O ATOM 311 CB LEU A 18 -11.524 -1.144 -2.867 1.00 0.00 C ATOM 312 CG LEU A 18 -10.996 -1.481 -1.465 1.00 0.00 C ATOM 313 CD1 LEU A 18 -10.751 -2.972 -1.293 1.00 0.00 C ATOM 314 CD2 LEU A 18 -9.730 -0.711 -1.199 1.00 0.00 C ATOM 0 H LEU A 18 -11.722 -2.556 -4.898 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.172 -2.457 -2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.749 -1.393 -3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.678 -0.066 -2.923 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.759 -1.192 -0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.378 -3.166 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.684 -3.514 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.014 -3.306 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.359 -0.953 -0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.978 -0.979 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.935 0.358 -1.260 1.00 0.00 H new ATOM 326 N GLY A 19 -14.390 -0.199 -2.560 1.00 0.00 N ATOM 327 CA GLY A 19 -15.414 0.784 -2.698 1.00 0.00 C ATOM 328 C GLY A 19 -14.869 2.097 -3.200 1.00 0.00 C ATOM 329 O GLY A 19 -13.704 2.427 -2.949 1.00 0.00 O ATOM 0 H GLY A 19 -14.107 -0.384 -1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.176 0.420 -3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.902 0.938 -1.735 1.00 0.00 H new ATOM 333 N SER A 20 -15.712 2.836 -3.867 1.00 0.00 N ATOM 334 CA SER A 20 -15.401 4.120 -4.466 1.00 0.00 C ATOM 335 C SER A 20 -14.786 5.105 -3.450 1.00 0.00 C ATOM 336 O SER A 20 -13.691 5.627 -3.650 1.00 0.00 O ATOM 337 CB SER A 20 -16.702 4.665 -5.031 1.00 0.00 C ATOM 338 OG SER A 20 -17.752 4.522 -4.065 1.00 0.00 O ATOM 0 H SER A 20 -16.680 2.553 -4.019 1.00 0.00 H new ATOM 0 HA SER A 20 -14.651 3.995 -5.247 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.581 5.715 -5.297 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.963 4.132 -5.946 1.00 0.00 H new ATOM 0 HG SER A 20 -18.587 4.877 -4.435 1.00 0.00 H new ATOM 344 N THR A 21 -15.478 5.299 -2.365 1.00 0.00 N ATOM 345 CA THR A 21 -15.070 6.202 -1.313 1.00 0.00 C ATOM 346 C THR A 21 -13.748 5.729 -0.687 1.00 0.00 C ATOM 347 O THR A 21 -12.878 6.537 -0.331 1.00 0.00 O ATOM 348 CB THR A 21 -16.155 6.229 -0.228 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.452 6.157 -0.862 1.00 0.00 O ATOM 350 CG2 THR A 21 -16.068 7.517 0.584 1.00 0.00 C ATOM 0 H THR A 21 -16.362 4.826 -2.177 1.00 0.00 H new ATOM 0 HA THR A 21 -14.929 7.198 -1.733 1.00 0.00 H new ATOM 0 HB THR A 21 -16.010 5.381 0.441 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.152 6.172 -0.177 1.00 0.00 H new ATOM 0 HG21 THR A 21 -16.845 7.518 1.348 1.00 0.00 H new ATOM 0 HG22 THR A 21 -15.090 7.581 1.061 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.207 8.373 -0.076 1.00 0.00 H new ATOM 358 N VAL A 22 -13.585 4.419 -0.616 1.00 0.00 N ATOM 359 CA VAL A 22 -12.421 3.833 -0.010 1.00 0.00 C ATOM 360 C VAL A 22 -11.211 4.038 -0.914 1.00 0.00 C ATOM 361 O VAL A 22 -10.178 4.525 -0.465 1.00 0.00 O ATOM 362 CB VAL A 22 -12.629 2.320 0.251 1.00 0.00 C ATOM 363 CG1 VAL A 22 -11.427 1.722 0.954 1.00 0.00 C ATOM 364 CG2 VAL A 22 -13.897 2.075 1.059 1.00 0.00 C ATOM 0 H VAL A 22 -14.257 3.742 -0.977 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.251 4.325 0.948 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.740 1.827 -0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.598 0.659 1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.541 1.851 0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.277 2.225 1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.020 1.005 1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.822 2.588 2.018 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.758 2.456 0.510 1.00 0.00 H new ATOM 374 N ARG A 23 -11.371 3.731 -2.202 1.00 0.00 N ATOM 375 CA ARG A 23 -10.287 3.905 -3.149 1.00 0.00 C ATOM 376 C ARG A 23 -9.888 5.374 -3.280 1.00 0.00 C ATOM 377 O ARG A 23 -8.705 5.684 -3.333 1.00 0.00 O ATOM 378 CB ARG A 23 -10.590 3.310 -4.537 1.00 0.00 C ATOM 379 CG ARG A 23 -11.783 3.923 -5.260 1.00 0.00 C ATOM 380 CD ARG A 23 -11.583 3.875 -6.756 1.00 0.00 C ATOM 381 NE ARG A 23 -12.674 4.508 -7.504 1.00 0.00 N ATOM 382 CZ ARG A 23 -12.865 4.394 -8.826 1.00 0.00 C ATOM 383 NH1 ARG A 23 -12.062 3.631 -9.564 1.00 0.00 N ATOM 384 NH2 ARG A 23 -13.871 5.032 -9.400 1.00 0.00 N ATOM 0 H ARG A 23 -12.234 3.365 -2.603 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.447 3.345 -2.739 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.707 3.426 -5.165 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.764 2.240 -4.426 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.692 3.385 -4.992 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.918 4.956 -4.939 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.644 4.369 -7.007 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.490 2.836 -7.071 1.00 0.00 H new ATOM 0 HE ARG A 23 -13.337 5.078 -6.979 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.292 3.126 -9.124 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.216 3.551 -10.569 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.497 5.608 -8.837 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.021 4.949 -10.406 1.00 0.00 H new ATOM 398 N GLU A 24 -10.877 6.273 -3.299 1.00 0.00 N ATOM 399 CA GLU A 24 -10.601 7.694 -3.408 1.00 0.00 C ATOM 400 C GLU A 24 -9.783 8.197 -2.240 1.00 0.00 C ATOM 401 O GLU A 24 -8.809 8.920 -2.434 1.00 0.00 O ATOM 402 CB GLU A 24 -11.871 8.520 -3.601 1.00 0.00 C ATOM 403 CG GLU A 24 -12.481 8.364 -4.982 1.00 0.00 C ATOM 404 CD GLU A 24 -13.670 9.261 -5.210 1.00 0.00 C ATOM 405 OE1 GLU A 24 -13.484 10.487 -5.386 1.00 0.00 O ATOM 406 OE2 GLU A 24 -14.807 8.756 -5.254 1.00 0.00 O ATOM 0 H GLU A 24 -11.867 6.036 -3.240 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.001 7.826 -4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.605 8.226 -2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.643 9.572 -3.428 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.722 8.579 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.784 7.327 -5.123 1.00 0.00 H new ATOM 413 N GLN A 25 -10.133 7.774 -1.037 1.00 0.00 N ATOM 414 CA GLN A 25 -9.376 8.182 0.131 1.00 0.00 C ATOM 415 C GLN A 25 -8.010 7.548 0.154 1.00 0.00 C ATOM 416 O GLN A 25 -7.041 8.233 0.396 1.00 0.00 O ATOM 417 CB GLN A 25 -10.129 7.982 1.453 1.00 0.00 C ATOM 418 CG GLN A 25 -10.823 9.252 1.978 1.00 0.00 C ATOM 419 CD GLN A 25 -11.781 9.939 0.999 1.00 0.00 C ATOM 420 OE1 GLN A 25 -11.918 11.163 1.019 1.00 0.00 O ATOM 421 NE2 GLN A 25 -12.501 9.198 0.202 1.00 0.00 N ATOM 0 H GLN A 25 -10.923 7.158 -0.846 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.239 9.259 0.038 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.877 7.201 1.318 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.428 7.625 2.208 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.378 8.994 2.880 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.056 9.969 2.270 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.377 8.186 0.196 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.188 9.631 -0.415 1.00 0.00 H new ATOM 430 N LEU A 26 -7.923 6.255 -0.163 1.00 0.00 N ATOM 431 CA LEU A 26 -6.629 5.567 -0.215 1.00 0.00 C ATOM 432 C LEU A 26 -5.706 6.228 -1.213 1.00 0.00 C ATOM 433 O LEU A 26 -4.527 6.403 -0.943 1.00 0.00 O ATOM 434 CB LEU A 26 -6.781 4.090 -0.551 1.00 0.00 C ATOM 435 CG LEU A 26 -7.444 3.219 0.509 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.591 1.808 0.002 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.648 3.232 1.809 1.00 0.00 C ATOM 0 H LEU A 26 -8.725 5.666 -0.386 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.191 5.642 0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.358 4.007 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.791 3.683 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.433 3.629 0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.066 1.194 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.206 1.807 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.607 1.401 -0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.145 2.602 2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.644 2.851 1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.585 4.252 2.187 1.00 0.00 H new ATOM 449 N LYS A 27 -6.263 6.618 -2.349 1.00 0.00 N ATOM 450 CA LYS A 27 -5.519 7.321 -3.374 1.00 0.00 C ATOM 451 C LYS A 27 -4.959 8.626 -2.813 1.00 0.00 C ATOM 452 O LYS A 27 -3.794 8.925 -2.998 1.00 0.00 O ATOM 453 CB LYS A 27 -6.441 7.649 -4.534 1.00 0.00 C ATOM 454 CG LYS A 27 -5.777 8.428 -5.656 1.00 0.00 C ATOM 455 CD LYS A 27 -6.796 8.955 -6.642 1.00 0.00 C ATOM 456 CE LYS A 27 -7.725 9.983 -5.992 1.00 0.00 C ATOM 457 NZ LYS A 27 -8.707 10.516 -6.951 1.00 0.00 N ATOM 0 H LYS A 27 -7.242 6.455 -2.583 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.700 6.685 -3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.841 6.720 -4.939 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.288 8.224 -4.159 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.210 9.260 -5.237 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.065 7.786 -6.175 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.283 9.411 -7.489 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.386 8.127 -7.035 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.248 9.522 -5.154 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.132 10.802 -5.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.318 11.209 -6.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.208 10.978 -7.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.289 9.738 -7.320 1.00 0.00 H new ATOM 471 N LYS A 28 -5.792 9.360 -2.077 1.00 0.00 N ATOM 472 CA LYS A 28 -5.383 10.629 -1.468 1.00 0.00 C ATOM 473 C LYS A 28 -4.281 10.382 -0.469 1.00 0.00 C ATOM 474 O LYS A 28 -3.326 11.155 -0.375 1.00 0.00 O ATOM 475 CB LYS A 28 -6.554 11.307 -0.754 1.00 0.00 C ATOM 476 CG LYS A 28 -7.723 11.662 -1.641 1.00 0.00 C ATOM 477 CD LYS A 28 -8.861 12.232 -0.821 1.00 0.00 C ATOM 478 CE LYS A 28 -10.083 12.500 -1.675 1.00 0.00 C ATOM 479 NZ LYS A 28 -11.191 13.042 -0.867 1.00 0.00 N ATOM 0 H LYS A 28 -6.759 9.098 -1.886 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.033 11.284 -2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.906 10.648 0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.191 12.217 -0.276 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.410 12.388 -2.392 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.062 10.775 -2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.120 11.536 -0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.539 13.158 -0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.829 13.204 -2.467 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.401 11.577 -2.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.879 13.510 -1.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.659 12.267 -0.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.818 13.732 -0.185 1.00 0.00 H new ATOM 493 N LYS A 29 -4.402 9.275 0.246 1.00 0.00 N ATOM 494 CA LYS A 29 -3.438 8.895 1.252 1.00 0.00 C ATOM 495 C LYS A 29 -2.103 8.558 0.623 1.00 0.00 C ATOM 496 O LYS A 29 -1.053 8.826 1.207 1.00 0.00 O ATOM 497 CB LYS A 29 -3.953 7.744 2.136 1.00 0.00 C ATOM 498 CG LYS A 29 -5.310 8.017 2.792 1.00 0.00 C ATOM 499 CD LYS A 29 -5.289 9.248 3.677 1.00 0.00 C ATOM 500 CE LYS A 29 -4.572 8.980 4.969 1.00 0.00 C ATOM 501 NZ LYS A 29 -4.298 10.220 5.722 1.00 0.00 N ATOM 0 H LYS A 29 -5.175 8.617 0.141 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.292 9.755 1.906 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.030 6.841 1.530 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.219 7.543 2.916 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.066 8.143 2.017 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.604 7.151 3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.800 10.068 3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.311 9.566 3.885 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.172 8.309 5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.633 8.468 4.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.324 10.020 6.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.358 10.582 5.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.019 10.933 5.491 1.00 0.00 H new ATOM 515 N LEU A 30 -2.150 7.973 -0.548 1.00 0.00 N ATOM 516 CA LEU A 30 -0.963 7.694 -1.314 1.00 0.00 C ATOM 517 C LEU A 30 -0.358 9.004 -1.803 1.00 0.00 C ATOM 518 O LEU A 30 0.833 9.229 -1.679 1.00 0.00 O ATOM 519 CB LEU A 30 -1.292 6.781 -2.497 1.00 0.00 C ATOM 520 CG LEU A 30 -1.908 5.425 -2.134 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.255 4.637 -3.381 1.00 0.00 C ATOM 522 CD2 LEU A 30 -0.978 4.631 -1.229 1.00 0.00 C ATOM 0 H LEU A 30 -3.016 7.676 -0.998 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.240 7.180 -0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.980 7.307 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.377 6.605 -3.063 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.832 5.610 -1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.690 3.679 -3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.973 5.199 -3.978 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.352 4.466 -3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.438 3.673 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.031 4.460 -1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.798 5.191 -0.311 1.00 0.00 H new ATOM 534 N VAL A 31 -1.218 9.890 -2.283 1.00 0.00 N ATOM 535 CA VAL A 31 -0.815 11.188 -2.818 1.00 0.00 C ATOM 536 C VAL A 31 -0.097 12.049 -1.756 1.00 0.00 C ATOM 537 O VAL A 31 0.951 12.659 -2.035 1.00 0.00 O ATOM 538 CB VAL A 31 -2.057 11.944 -3.404 1.00 0.00 C ATOM 539 CG1 VAL A 31 -1.742 13.383 -3.754 1.00 0.00 C ATOM 540 CG2 VAL A 31 -2.565 11.223 -4.633 1.00 0.00 C ATOM 0 H VAL A 31 -2.225 9.730 -2.314 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.102 11.009 -3.622 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.825 11.954 -2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.634 13.863 -4.156 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.417 13.912 -2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.948 13.411 -4.500 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.428 11.753 -5.035 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.777 11.188 -5.386 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.856 10.207 -4.365 1.00 0.00 H new ATOM 550 N GLU A 32 -0.639 12.093 -0.558 1.00 0.00 N ATOM 551 CA GLU A 32 -0.001 12.818 0.529 1.00 0.00 C ATOM 552 C GLU A 32 1.303 12.118 0.977 1.00 0.00 C ATOM 553 O GLU A 32 2.370 12.759 1.102 1.00 0.00 O ATOM 554 CB GLU A 32 -0.974 13.021 1.714 1.00 0.00 C ATOM 555 CG GLU A 32 -1.594 11.737 2.223 1.00 0.00 C ATOM 556 CD GLU A 32 -2.463 11.897 3.438 1.00 0.00 C ATOM 557 OE1 GLU A 32 -3.567 12.433 3.336 1.00 0.00 O ATOM 558 OE2 GLU A 32 -2.073 11.425 4.527 1.00 0.00 O ATOM 0 H GLU A 32 -1.517 11.638 -0.309 1.00 0.00 H new ATOM 0 HA GLU A 32 0.270 13.806 0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.440 13.505 2.532 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.769 13.700 1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.189 11.295 1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.796 11.031 2.454 1.00 0.00 H new ATOM 565 N VAL A 33 1.231 10.797 1.118 1.00 0.00 N ATOM 566 CA VAL A 33 2.317 10.007 1.666 1.00 0.00 C ATOM 567 C VAL A 33 3.576 10.078 0.808 1.00 0.00 C ATOM 568 O VAL A 33 4.650 9.995 1.323 1.00 0.00 O ATOM 569 CB VAL A 33 1.924 8.532 1.994 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.048 7.595 0.796 1.00 0.00 C ATOM 571 CG2 VAL A 33 2.702 8.023 3.193 1.00 0.00 C ATOM 0 H VAL A 33 0.413 10.248 0.853 1.00 0.00 H new ATOM 0 HA VAL A 33 2.547 10.471 2.625 1.00 0.00 H new ATOM 0 HB VAL A 33 0.865 8.538 2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.760 6.586 1.092 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.393 7.939 -0.004 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.079 7.589 0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.413 6.994 3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.770 8.063 2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.483 8.646 4.060 1.00 0.00 H new ATOM 581 N LEU A 34 3.412 10.268 -0.500 1.00 0.00 N ATOM 582 CA LEU A 34 4.526 10.275 -1.459 1.00 0.00 C ATOM 583 C LEU A 34 5.651 11.247 -1.099 1.00 0.00 C ATOM 584 O LEU A 34 6.793 10.992 -1.465 1.00 0.00 O ATOM 585 CB LEU A 34 4.028 10.587 -2.879 1.00 0.00 C ATOM 586 CG LEU A 34 3.139 9.538 -3.547 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.671 10.025 -4.905 1.00 0.00 C ATOM 588 CD2 LEU A 34 3.876 8.213 -3.688 1.00 0.00 C ATOM 0 H LEU A 34 2.500 10.422 -0.931 1.00 0.00 H new ATOM 0 HA LEU A 34 4.944 9.269 -1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.477 11.527 -2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.898 10.749 -3.515 1.00 0.00 H new ATOM 0 HG LEU A 34 2.267 9.380 -2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.039 9.266 -5.366 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.101 10.947 -4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.535 10.213 -5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.223 7.483 -4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.768 8.356 -4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.165 7.851 -2.701 1.00 0.00 H new ATOM 600 N GLU A 35 5.356 12.329 -0.362 1.00 0.00 N ATOM 601 CA GLU A 35 6.428 13.271 -0.005 1.00 0.00 C ATOM 602 C GLU A 35 7.262 12.749 1.164 1.00 0.00 C ATOM 603 O GLU A 35 8.443 13.107 1.327 1.00 0.00 O ATOM 604 CB GLU A 35 5.892 14.670 0.300 1.00 0.00 C ATOM 605 CG GLU A 35 4.910 14.735 1.448 1.00 0.00 C ATOM 606 CD GLU A 35 4.365 16.112 1.629 1.00 0.00 C ATOM 607 OE1 GLU A 35 3.343 16.442 0.987 1.00 0.00 O ATOM 608 OE2 GLU A 35 4.942 16.898 2.420 1.00 0.00 O ATOM 0 H GLU A 35 4.427 12.568 -0.014 1.00 0.00 H new ATOM 0 HA GLU A 35 7.074 13.352 -0.879 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.734 15.326 0.522 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.410 15.062 -0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.090 14.040 1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.402 14.414 2.366 1.00 0.00 H new ATOM 615 N SER A 36 6.661 11.897 1.964 1.00 0.00 N ATOM 616 CA SER A 36 7.308 11.317 3.116 1.00 0.00 C ATOM 617 C SER A 36 6.772 9.908 3.382 1.00 0.00 C ATOM 618 O SER A 36 6.034 9.696 4.327 1.00 0.00 O ATOM 619 CB SER A 36 7.122 12.200 4.359 1.00 0.00 C ATOM 620 OG SER A 36 7.666 13.508 4.169 1.00 0.00 O ATOM 0 H SER A 36 5.699 11.585 1.830 1.00 0.00 H new ATOM 0 HA SER A 36 8.375 11.252 2.902 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.060 12.279 4.593 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.603 11.727 5.215 1.00 0.00 H new ATOM 0 HG SER A 36 7.527 14.041 4.980 1.00 0.00 H new ATOM 626 N PRO A 37 7.080 8.932 2.508 1.00 0.00 N ATOM 627 CA PRO A 37 6.605 7.568 2.691 1.00 0.00 C ATOM 628 C PRO A 37 7.493 6.784 3.644 1.00 0.00 C ATOM 629 O PRO A 37 7.125 5.736 4.122 1.00 0.00 O ATOM 630 CB PRO A 37 6.663 6.992 1.280 1.00 0.00 C ATOM 631 CG PRO A 37 7.806 7.698 0.641 1.00 0.00 C ATOM 632 CD PRO A 37 7.827 9.086 1.231 1.00 0.00 C ATOM 0 HA PRO A 37 5.611 7.522 3.136 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.821 5.914 1.297 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.733 7.170 0.739 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.743 7.178 0.837 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.683 7.737 -0.441 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.846 9.434 1.401 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.349 9.810 0.571 1.00 0.00 H new ATOM 640 N ARG A 38 8.642 7.348 3.963 1.00 0.00 N ATOM 641 CA ARG A 38 9.624 6.706 4.826 1.00 0.00 C ATOM 642 C ARG A 38 9.350 6.921 6.333 1.00 0.00 C ATOM 643 O ARG A 38 10.281 7.041 7.145 1.00 0.00 O ATOM 644 CB ARG A 38 11.071 7.089 4.389 1.00 0.00 C ATOM 645 CG ARG A 38 11.366 8.587 4.147 1.00 0.00 C ATOM 646 CD ARG A 38 11.441 9.417 5.424 1.00 0.00 C ATOM 647 NE ARG A 38 11.849 10.805 5.147 1.00 0.00 N ATOM 648 CZ ARG A 38 12.569 11.581 5.987 1.00 0.00 C ATOM 649 NH1 ARG A 38 12.874 11.142 7.214 1.00 0.00 N ATOM 650 NH2 ARG A 38 12.976 12.791 5.598 1.00 0.00 N ATOM 0 H ARG A 38 8.925 8.270 3.631 1.00 0.00 H new ATOM 0 HA ARG A 38 9.524 5.629 4.693 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.760 6.729 5.153 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.301 6.548 3.471 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.310 8.679 3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.591 9.000 3.502 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.469 9.415 5.917 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.150 8.960 6.114 1.00 0.00 H new ATOM 0 HE ARG A 38 11.567 11.211 4.255 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.563 10.219 7.517 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.418 11.730 7.846 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.744 13.132 4.665 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.519 13.375 6.234 1.00 0.00 H new ATOM 664 N ILE A 39 8.082 6.874 6.695 1.00 0.00 N ATOM 665 CA ILE A 39 7.634 7.047 8.074 1.00 0.00 C ATOM 666 C ILE A 39 7.767 5.704 8.806 1.00 0.00 C ATOM 667 O ILE A 39 6.979 4.778 8.571 1.00 0.00 O ATOM 668 CB ILE A 39 6.147 7.530 8.111 1.00 0.00 C ATOM 669 CG1 ILE A 39 6.012 8.874 7.379 1.00 0.00 C ATOM 670 CG2 ILE A 39 5.632 7.647 9.545 1.00 0.00 C ATOM 671 CD1 ILE A 39 4.593 9.403 7.288 1.00 0.00 C ATOM 0 H ILE A 39 7.321 6.713 6.036 1.00 0.00 H new ATOM 0 HA ILE A 39 8.249 7.802 8.564 1.00 0.00 H new ATOM 0 HB ILE A 39 5.536 6.784 7.602 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.630 9.614 7.888 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.411 8.765 6.370 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.596 7.985 9.533 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.691 6.674 10.033 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.242 8.365 10.093 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.593 10.354 6.756 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.971 8.687 6.751 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.194 9.548 8.292 1.00 0.00 H new ATOM 683 N GLU A 40 8.749 5.609 9.698 1.00 0.00 N ATOM 684 CA GLU A 40 9.085 4.350 10.369 1.00 0.00 C ATOM 685 C GLU A 40 7.949 3.800 11.228 1.00 0.00 C ATOM 686 O GLU A 40 7.866 2.591 11.445 1.00 0.00 O ATOM 687 CB GLU A 40 10.380 4.460 11.186 1.00 0.00 C ATOM 688 CG GLU A 40 10.357 5.526 12.261 1.00 0.00 C ATOM 689 CD GLU A 40 11.590 5.513 13.108 1.00 0.00 C ATOM 690 OE1 GLU A 40 12.632 6.029 12.668 1.00 0.00 O ATOM 691 OE2 GLU A 40 11.543 4.993 14.241 1.00 0.00 O ATOM 0 H GLU A 40 9.334 6.397 9.977 1.00 0.00 H new ATOM 0 HA GLU A 40 9.249 3.631 9.566 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.583 3.496 11.653 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.207 4.666 10.506 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.251 6.505 11.795 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.483 5.379 12.895 1.00 0.00 H new ATOM 698 N ALA A 41 7.062 4.666 11.671 1.00 0.00 N ATOM 699 CA ALA A 41 5.930 4.264 12.504 1.00 0.00 C ATOM 700 C ALA A 41 4.967 3.344 11.745 1.00 0.00 C ATOM 701 O ALA A 41 4.249 2.538 12.350 1.00 0.00 O ATOM 702 CB ALA A 41 5.190 5.491 13.016 1.00 0.00 C ATOM 0 H ALA A 41 7.098 5.665 11.469 1.00 0.00 H new ATOM 0 HA ALA A 41 6.326 3.704 13.351 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.349 5.177 13.635 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.869 6.104 13.609 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.821 6.072 12.171 1.00 0.00 H new ATOM 708 N ASN A 42 4.987 3.432 10.425 1.00 0.00 N ATOM 709 CA ASN A 42 4.091 2.633 9.599 1.00 0.00 C ATOM 710 C ASN A 42 4.779 1.387 9.075 1.00 0.00 C ATOM 711 O ASN A 42 4.161 0.592 8.369 1.00 0.00 O ATOM 712 CB ASN A 42 3.524 3.450 8.420 1.00 0.00 C ATOM 713 CG ASN A 42 2.621 4.596 8.847 1.00 0.00 C ATOM 714 OD1 ASN A 42 1.955 4.539 9.880 1.00 0.00 O ATOM 715 ND2 ASN A 42 2.586 5.645 8.053 1.00 0.00 N ATOM 0 H ASN A 42 5.611 4.046 9.902 1.00 0.00 H new ATOM 0 HA ASN A 42 3.263 2.330 10.240 1.00 0.00 H new ATOM 0 HB2 ASN A 42 4.352 3.851 7.836 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.964 2.783 7.764 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.994 6.442 8.287 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.151 5.661 7.204 1.00 0.00 H new ATOM 722 N LYS A 43 6.053 1.211 9.422 1.00 0.00 N ATOM 723 CA LYS A 43 6.817 0.052 8.961 1.00 0.00 C ATOM 724 C LYS A 43 6.402 -1.201 9.682 1.00 0.00 C ATOM 725 O LYS A 43 6.170 -1.194 10.894 1.00 0.00 O ATOM 726 CB LYS A 43 8.340 0.251 9.101 1.00 0.00 C ATOM 727 CG LYS A 43 8.897 1.302 8.170 1.00 0.00 C ATOM 728 CD LYS A 43 10.405 1.582 8.327 1.00 0.00 C ATOM 729 CE LYS A 43 11.316 0.463 7.797 1.00 0.00 C ATOM 730 NZ LYS A 43 11.393 -0.729 8.669 1.00 0.00 N ATOM 0 H LYS A 43 6.576 1.853 10.018 1.00 0.00 H new ATOM 0 HA LYS A 43 6.590 -0.054 7.900 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.569 0.529 10.130 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.842 -0.697 8.908 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.706 0.993 7.142 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.352 2.232 8.330 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.647 2.508 7.806 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.624 1.744 9.382 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.959 0.156 6.814 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.321 0.863 7.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.386 -0.918 8.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.850 -0.558 9.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.996 -1.551 8.170 1.00 0.00 H new ATOM 744 N LEU A 44 6.302 -2.261 8.939 1.00 0.00 N ATOM 745 CA LEU A 44 5.954 -3.548 9.484 1.00 0.00 C ATOM 746 C LEU A 44 7.210 -4.196 10.062 1.00 0.00 C ATOM 747 O LEU A 44 8.286 -4.078 9.487 1.00 0.00 O ATOM 748 CB LEU A 44 5.340 -4.415 8.397 1.00 0.00 C ATOM 749 CG LEU A 44 4.138 -3.808 7.673 1.00 0.00 C ATOM 750 CD1 LEU A 44 3.609 -4.753 6.620 1.00 0.00 C ATOM 751 CD2 LEU A 44 3.049 -3.433 8.654 1.00 0.00 C ATOM 0 H LEU A 44 6.459 -2.263 7.931 1.00 0.00 H new ATOM 0 HA LEU A 44 5.219 -3.435 10.281 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.110 -4.642 7.659 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.034 -5.362 8.841 1.00 0.00 H new ATOM 0 HG LEU A 44 4.471 -2.898 7.174 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.754 -4.298 6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.391 -4.958 5.889 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.299 -5.686 7.091 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.205 -3.003 8.114 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.721 -4.323 9.191 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.435 -2.702 9.364 1.00 0.00 H new ATOM 763 N ARG A 45 7.069 -4.873 11.174 1.00 0.00 N ATOM 764 CA ARG A 45 8.191 -5.430 11.919 1.00 0.00 C ATOM 765 C ARG A 45 8.893 -6.583 11.199 1.00 0.00 C ATOM 766 O ARG A 45 10.127 -6.650 11.175 1.00 0.00 O ATOM 767 CB ARG A 45 7.721 -5.877 13.294 1.00 0.00 C ATOM 768 CG ARG A 45 7.219 -4.745 14.167 1.00 0.00 C ATOM 769 CD ARG A 45 6.724 -5.252 15.507 1.00 0.00 C ATOM 770 NE ARG A 45 6.256 -4.154 16.354 1.00 0.00 N ATOM 771 CZ ARG A 45 5.462 -4.278 17.419 1.00 0.00 C ATOM 772 NH1 ARG A 45 5.022 -5.479 17.804 1.00 0.00 N ATOM 773 NH2 ARG A 45 5.115 -3.193 18.100 1.00 0.00 N ATOM 0 H ARG A 45 6.162 -5.060 11.601 1.00 0.00 H new ATOM 0 HA ARG A 45 8.931 -4.635 12.011 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.925 -6.612 13.174 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.544 -6.379 13.803 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.020 -4.023 14.324 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.412 -4.220 13.655 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.914 -5.964 15.351 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.526 -5.788 16.014 1.00 0.00 H new ATOM 0 HE ARG A 45 6.563 -3.213 16.109 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.293 -6.313 17.282 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.415 -5.562 18.620 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.455 -2.277 17.807 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.508 -3.275 18.916 1.00 0.00 H new ATOM 787 N GLY A 46 8.124 -7.471 10.610 1.00 0.00 N ATOM 788 CA GLY A 46 8.704 -8.632 9.949 1.00 0.00 C ATOM 789 C GLY A 46 8.858 -8.431 8.466 1.00 0.00 C ATOM 790 O GLY A 46 8.993 -9.395 7.698 1.00 0.00 O ATOM 0 H GLY A 46 7.106 -7.419 10.572 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.679 -8.846 10.387 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.074 -9.503 10.131 1.00 0.00 H new ATOM 794 N MET A 47 8.826 -7.197 8.055 1.00 0.00 N ATOM 795 CA MET A 47 8.947 -6.845 6.667 1.00 0.00 C ATOM 796 C MET A 47 10.002 -5.755 6.597 1.00 0.00 C ATOM 797 O MET A 47 10.129 -4.975 7.539 1.00 0.00 O ATOM 798 CB MET A 47 7.604 -6.331 6.129 1.00 0.00 C ATOM 799 CG MET A 47 6.413 -7.275 6.365 1.00 0.00 C ATOM 800 SD MET A 47 6.466 -8.810 5.405 1.00 0.00 S ATOM 801 CE MET A 47 6.042 -8.217 3.773 1.00 0.00 C ATOM 0 H MET A 47 8.714 -6.398 8.679 1.00 0.00 H new ATOM 0 HA MET A 47 9.229 -7.706 6.060 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.386 -5.370 6.594 1.00 0.00 H new ATOM 0 HB3 MET A 47 7.702 -6.152 5.058 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.370 -7.526 7.425 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.492 -6.744 6.125 1.00 0.00 H new ATOM 0 HE1 MET A 47 5.707 -9.052 3.158 1.00 0.00 H new ATOM 0 HE2 MET A 47 5.243 -7.479 3.850 1.00 0.00 H new ATOM 0 HE3 MET A 47 6.917 -7.757 3.314 1.00 0.00 H new ATOM 811 N PRO A 48 10.802 -5.706 5.541 1.00 0.00 N ATOM 812 CA PRO A 48 11.891 -4.731 5.438 1.00 0.00 C ATOM 813 C PRO A 48 11.431 -3.259 5.292 1.00 0.00 C ATOM 814 O PRO A 48 11.451 -2.479 6.259 1.00 0.00 O ATOM 815 CB PRO A 48 12.679 -5.191 4.202 1.00 0.00 C ATOM 816 CG PRO A 48 11.723 -6.016 3.402 1.00 0.00 C ATOM 817 CD PRO A 48 10.759 -6.625 4.380 1.00 0.00 C ATOM 0 HA PRO A 48 12.476 -4.715 6.357 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.038 -4.338 3.626 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.555 -5.773 4.489 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.197 -5.401 2.672 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.251 -6.790 2.845 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.755 -6.693 3.961 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.058 -7.636 4.659 1.00 0.00 H new ATOM 825 N ASP A 49 10.951 -2.922 4.116 1.00 0.00 N ATOM 826 CA ASP A 49 10.613 -1.548 3.761 1.00 0.00 C ATOM 827 C ASP A 49 9.137 -1.474 3.458 1.00 0.00 C ATOM 828 O ASP A 49 8.701 -0.759 2.562 1.00 0.00 O ATOM 829 CB ASP A 49 11.393 -1.167 2.504 1.00 0.00 C ATOM 830 CG ASP A 49 11.909 0.253 2.537 1.00 0.00 C ATOM 831 OD1 ASP A 49 11.134 1.200 2.462 1.00 0.00 O ATOM 832 OD2 ASP A 49 13.154 0.430 2.660 1.00 0.00 O ATOM 0 H ASP A 49 10.780 -3.594 3.368 1.00 0.00 H new ATOM 0 HA ASP A 49 10.861 -0.873 4.580 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.234 -1.850 2.384 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.751 -1.294 1.632 1.00 0.00 H new ATOM 837 N CYS A 50 8.361 -2.223 4.196 1.00 0.00 N ATOM 838 CA CYS A 50 6.942 -2.238 3.968 1.00 0.00 C ATOM 839 C CYS A 50 6.257 -1.353 4.987 1.00 0.00 C ATOM 840 O CYS A 50 6.636 -1.345 6.170 1.00 0.00 O ATOM 841 CB CYS A 50 6.425 -3.663 4.062 1.00 0.00 C ATOM 842 SG CYS A 50 7.326 -4.827 3.009 1.00 0.00 S ATOM 0 H CYS A 50 8.684 -2.825 4.953 1.00 0.00 H new ATOM 0 HA CYS A 50 6.725 -1.855 2.971 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.489 -3.997 5.098 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.370 -3.678 3.787 1.00 0.00 H new ATOM 0 HG CYS A 50 6.480 -5.522 2.308 1.00 0.00 H new ATOM 848 N TYR A 51 5.254 -0.647 4.539 1.00 0.00 N ATOM 849 CA TYR A 51 4.514 0.295 5.342 1.00 0.00 C ATOM 850 C TYR A 51 3.049 0.044 5.119 1.00 0.00 C ATOM 851 O TYR A 51 2.663 -0.514 4.078 1.00 0.00 O ATOM 852 CB TYR A 51 4.803 1.745 4.903 1.00 0.00 C ATOM 853 CG TYR A 51 6.250 2.182 4.926 1.00 0.00 C ATOM 854 CD1 TYR A 51 7.144 1.752 3.959 1.00 0.00 C ATOM 855 CD2 TYR A 51 6.714 3.038 5.900 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.456 2.158 3.972 1.00 0.00 C ATOM 857 CE2 TYR A 51 8.029 3.454 5.910 1.00 0.00 C ATOM 858 CZ TYR A 51 8.891 3.007 4.944 1.00 0.00 C ATOM 859 OH TYR A 51 10.198 3.419 4.948 1.00 0.00 O ATOM 0 H TYR A 51 4.918 -0.712 3.578 1.00 0.00 H new ATOM 0 HA TYR A 51 4.803 0.169 6.385 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.423 1.877 3.890 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.234 2.416 5.546 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.803 1.085 3.181 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.039 3.388 6.667 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.140 1.805 3.214 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.378 4.130 6.677 1.00 0.00 H new ATOM 0 HH TYR A 51 10.537 3.440 4.029 1.00 0.00 H new ATOM 869 N LYS A 52 2.242 0.441 6.054 1.00 0.00 N ATOM 870 CA LYS A 52 0.819 0.308 5.914 1.00 0.00 C ATOM 871 C LYS A 52 0.117 1.624 6.206 1.00 0.00 C ATOM 872 O LYS A 52 0.528 2.386 7.078 1.00 0.00 O ATOM 873 CB LYS A 52 0.270 -0.797 6.827 1.00 0.00 C ATOM 874 CG LYS A 52 0.553 -0.585 8.302 1.00 0.00 C ATOM 875 CD LYS A 52 -0.108 -1.644 9.150 1.00 0.00 C ATOM 876 CE LYS A 52 0.258 -1.471 10.605 1.00 0.00 C ATOM 877 NZ LYS A 52 -0.384 -2.484 11.457 1.00 0.00 N ATOM 0 H LYS A 52 2.545 0.864 6.931 1.00 0.00 H new ATOM 0 HA LYS A 52 0.619 0.029 4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.808 -0.870 6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.698 -1.752 6.520 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.629 -0.600 8.473 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.196 0.400 8.604 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.190 -1.587 9.033 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.198 -2.633 8.808 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.340 -1.536 10.717 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.038 -0.476 10.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.219 -2.252 12.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.407 -2.498 11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.019 -3.420 11.248 1.00 0.00 H new ATOM 891 N ILE A 53 -0.912 1.890 5.460 1.00 0.00 N ATOM 892 CA ILE A 53 -1.753 3.033 5.674 1.00 0.00 C ATOM 893 C ILE A 53 -3.073 2.520 6.207 1.00 0.00 C ATOM 894 O ILE A 53 -3.517 1.436 5.822 1.00 0.00 O ATOM 895 CB ILE A 53 -1.982 3.865 4.360 1.00 0.00 C ATOM 896 CG1 ILE A 53 -0.660 4.468 3.868 1.00 0.00 C ATOM 897 CG2 ILE A 53 -3.029 4.972 4.562 1.00 0.00 C ATOM 898 CD1 ILE A 53 -0.795 5.314 2.614 1.00 0.00 C ATOM 0 H ILE A 53 -1.197 1.310 4.671 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.271 3.709 6.380 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.364 3.181 3.602 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.234 5.080 4.663 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.046 3.660 3.675 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.159 5.524 3.631 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.979 4.525 4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.693 5.653 5.344 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.183 5.704 2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.190 4.702 1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.475 6.144 2.807 1.00 0.00 H new ATOM 910 N LYS A 54 -3.668 3.266 7.089 1.00 0.00 N ATOM 911 CA LYS A 54 -4.907 2.897 7.699 1.00 0.00 C ATOM 912 C LYS A 54 -5.929 3.960 7.381 1.00 0.00 C ATOM 913 O LYS A 54 -5.671 5.160 7.568 1.00 0.00 O ATOM 914 CB LYS A 54 -4.784 2.648 9.242 1.00 0.00 C ATOM 915 CG LYS A 54 -4.294 3.832 10.094 1.00 0.00 C ATOM 916 CD LYS A 54 -2.803 4.111 9.921 1.00 0.00 C ATOM 917 CE LYS A 54 -2.405 5.440 10.534 1.00 0.00 C ATOM 918 NZ LYS A 54 -2.463 5.440 12.009 1.00 0.00 N ATOM 0 H LYS A 54 -3.299 4.162 7.409 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.226 1.940 7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.760 2.340 9.616 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.104 1.811 9.399 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.859 4.725 9.826 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.501 3.627 11.144 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.227 3.310 10.384 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.554 4.111 8.860 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.393 5.691 10.217 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.062 6.221 10.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.180 6.374 12.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.433 5.230 12.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.816 4.716 12.382 1.00 0.00 H new ATOM 932 N LEU A 55 -7.039 3.558 6.844 1.00 0.00 N ATOM 933 CA LEU A 55 -8.058 4.486 6.466 1.00 0.00 C ATOM 934 C LEU A 55 -9.109 4.509 7.559 1.00 0.00 C ATOM 935 O LEU A 55 -10.066 3.690 7.555 1.00 0.00 O ATOM 936 CB LEU A 55 -8.676 4.081 5.107 1.00 0.00 C ATOM 937 CG LEU A 55 -9.359 5.181 4.250 1.00 0.00 C ATOM 938 CD1 LEU A 55 -9.915 4.574 2.990 1.00 0.00 C ATOM 939 CD2 LEU A 55 -10.463 5.905 4.988 1.00 0.00 C ATOM 0 H LEU A 55 -7.263 2.581 6.656 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.635 5.484 6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.887 3.632 4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.414 3.302 5.297 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.591 5.918 4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.393 5.350 2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.106 4.121 2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.649 3.810 3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.901 6.661 4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.232 5.191 5.284 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.053 6.385 5.876 1.00 0.00 H new ATOM 951 N ARG A 56 -8.918 5.396 8.516 1.00 0.00 N ATOM 952 CA ARG A 56 -9.849 5.529 9.594 1.00 0.00 C ATOM 953 C ARG A 56 -11.087 6.254 9.116 1.00 0.00 C ATOM 954 O ARG A 56 -11.119 7.488 9.042 1.00 0.00 O ATOM 955 CB ARG A 56 -9.237 6.193 10.830 1.00 0.00 C ATOM 956 CG ARG A 56 -10.228 6.355 11.976 1.00 0.00 C ATOM 957 CD ARG A 56 -9.571 6.913 13.211 1.00 0.00 C ATOM 958 NE ARG A 56 -10.553 7.216 14.263 1.00 0.00 N ATOM 959 CZ ARG A 56 -10.251 7.419 15.554 1.00 0.00 C ATOM 960 NH1 ARG A 56 -9.052 7.085 16.019 1.00 0.00 N ATOM 961 NH2 ARG A 56 -11.175 7.893 16.393 1.00 0.00 N ATOM 0 H ARG A 56 -8.121 6.032 8.560 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.132 4.526 9.914 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.390 5.599 11.172 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.848 7.173 10.553 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.038 7.015 11.665 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.676 5.389 12.208 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.842 6.197 13.590 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.023 7.819 12.953 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.534 7.276 13.991 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.359 6.673 15.394 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.824 7.240 17.001 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.114 8.102 16.053 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.942 8.046 17.374 1.00 0.00 H new ATOM 975 N SER A 57 -12.059 5.458 8.745 1.00 0.00 N ATOM 976 CA SER A 57 -13.329 5.872 8.197 1.00 0.00 C ATOM 977 C SER A 57 -14.047 4.618 7.722 1.00 0.00 C ATOM 978 O SER A 57 -15.254 4.464 7.902 1.00 0.00 O ATOM 979 CB SER A 57 -13.134 6.858 7.013 1.00 0.00 C ATOM 980 OG SER A 57 -14.352 7.212 6.389 1.00 0.00 O ATOM 0 H SER A 57 -11.981 4.444 8.822 1.00 0.00 H new ATOM 0 HA SER A 57 -13.912 6.393 8.957 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.641 7.760 7.375 1.00 0.00 H new ATOM 0 HB3 SER A 57 -12.471 6.406 6.275 1.00 0.00 H new ATOM 0 HG SER A 57 -14.174 7.834 5.653 1.00 0.00 H new ATOM 986 N SER A 58 -13.299 3.712 7.134 1.00 0.00 N ATOM 987 CA SER A 58 -13.875 2.494 6.633 1.00 0.00 C ATOM 988 C SER A 58 -13.186 1.236 7.190 1.00 0.00 C ATOM 989 O SER A 58 -13.735 0.135 7.114 1.00 0.00 O ATOM 990 CB SER A 58 -13.886 2.540 5.113 1.00 0.00 C ATOM 991 OG SER A 58 -12.648 3.044 4.626 1.00 0.00 O ATOM 0 H SER A 58 -12.293 3.799 6.993 1.00 0.00 H new ATOM 0 HA SER A 58 -14.904 2.421 6.986 1.00 0.00 H new ATOM 0 HB2 SER A 58 -14.063 1.541 4.713 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.705 3.171 4.767 1.00 0.00 H new ATOM 0 HG SER A 58 -12.796 3.509 3.776 1.00 0.00 H new ATOM 997 N GLY A 59 -11.986 1.395 7.744 1.00 0.00 N ATOM 998 CA GLY A 59 -11.314 0.266 8.364 1.00 0.00 C ATOM 999 C GLY A 59 -10.399 -0.470 7.420 1.00 0.00 C ATOM 1000 O GLY A 59 -9.888 -1.555 7.740 1.00 0.00 O ATOM 0 H GLY A 59 -11.472 2.275 7.775 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.736 0.619 9.218 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.062 -0.427 8.749 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.179 0.097 6.276 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.324 -0.516 5.298 1.00 0.00 C ATOM 1006 C TYR A 60 -7.873 -0.128 5.528 1.00 0.00 C ATOM 1007 O TYR A 60 -7.576 0.951 6.048 1.00 0.00 O ATOM 1008 CB TYR A 60 -9.759 -0.154 3.877 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.046 -0.820 3.432 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.281 -0.380 3.881 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -11.017 -1.885 2.551 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.450 -0.983 3.466 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.178 -2.494 2.130 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.390 -2.041 2.590 1.00 0.00 C ATOM 1015 OH TYR A 60 -14.544 -2.653 2.176 1.00 0.00 O ATOM 0 H TYR A 60 -10.581 0.990 5.991 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.413 -1.596 5.412 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.881 0.927 3.811 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.963 -0.428 3.185 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.329 0.451 4.569 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.067 -2.246 2.186 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.404 -0.627 3.826 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.136 -3.324 1.441 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.325 -3.381 1.558 1.00 0.00 H new ATOM 1025 N ARG A 61 -6.994 -1.022 5.184 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.574 -0.823 5.279 1.00 0.00 C ATOM 1027 C ARG A 61 -4.954 -1.085 3.924 1.00 0.00 C ATOM 1028 O ARG A 61 -5.496 -1.855 3.121 1.00 0.00 O ATOM 1029 CB ARG A 61 -4.903 -1.741 6.327 1.00 0.00 C ATOM 1030 CG ARG A 61 -5.021 -1.326 7.806 1.00 0.00 C ATOM 1031 CD ARG A 61 -6.433 -1.409 8.372 1.00 0.00 C ATOM 1032 NE ARG A 61 -6.435 -1.150 9.824 1.00 0.00 N ATOM 1033 CZ ARG A 61 -7.462 -1.364 10.659 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -8.669 -1.673 10.190 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -7.283 -1.222 11.964 1.00 0.00 N ATOM 0 H ARG A 61 -7.251 -1.939 4.818 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.410 0.205 5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.327 -2.740 6.222 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.844 -1.817 6.081 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.366 -1.961 8.402 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.659 -0.304 7.914 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.074 -0.685 7.869 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.851 -2.396 8.174 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.578 -0.774 10.229 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.821 -1.749 9.184 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.442 -1.833 10.836 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.369 -0.952 12.327 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.059 -1.383 12.606 1.00 0.00 H new ATOM 1049 N LEU A 62 -3.861 -0.447 3.664 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.152 -0.611 2.424 1.00 0.00 C ATOM 1051 C LEU A 62 -1.676 -0.810 2.752 1.00 0.00 C ATOM 1052 O LEU A 62 -1.092 0.003 3.462 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.416 0.637 1.530 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.865 0.643 0.086 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.558 1.720 -0.728 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -1.380 0.921 0.070 1.00 0.00 C ATOM 0 H LEU A 62 -3.425 0.212 4.309 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.491 -1.483 1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.495 0.781 1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.005 1.506 2.045 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.053 -0.342 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.164 1.718 -1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.630 1.524 -0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.378 2.693 -0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.021 0.919 -0.959 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.187 1.895 0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.859 0.150 0.638 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.093 -1.890 2.263 1.00 0.00 N ATOM 1069 CA VAL A 63 0.294 -2.222 2.552 1.00 0.00 C ATOM 1070 C VAL A 63 1.129 -2.118 1.282 1.00 0.00 C ATOM 1071 O VAL A 63 0.806 -2.726 0.247 1.00 0.00 O ATOM 1072 CB VAL A 63 0.433 -3.655 3.151 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.887 -3.970 3.500 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.449 -3.815 4.380 1.00 0.00 C ATOM 0 H VAL A 63 -1.564 -2.561 1.656 1.00 0.00 H new ATOM 0 HA VAL A 63 0.655 -1.510 3.294 1.00 0.00 H new ATOM 0 HB VAL A 63 0.104 -4.363 2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.952 -4.976 3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.499 -3.909 2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.249 -3.250 4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.336 -4.822 4.781 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.154 -3.088 5.137 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.491 -3.649 4.104 1.00 0.00 H new ATOM 1084 N TYR A 64 2.188 -1.369 1.360 1.00 0.00 N ATOM 1085 CA TYR A 64 3.060 -1.139 0.238 1.00 0.00 C ATOM 1086 C TYR A 64 4.494 -1.170 0.688 1.00 0.00 C ATOM 1087 O TYR A 64 4.762 -1.053 1.874 1.00 0.00 O ATOM 1088 CB TYR A 64 2.752 0.214 -0.449 1.00 0.00 C ATOM 1089 CG TYR A 64 2.882 1.463 0.421 1.00 0.00 C ATOM 1090 CD1 TYR A 64 4.117 1.906 0.900 1.00 0.00 C ATOM 1091 CD2 TYR A 64 1.773 2.212 0.727 1.00 0.00 C ATOM 1092 CE1 TYR A 64 4.221 3.047 1.656 1.00 0.00 C ATOM 1093 CE2 TYR A 64 1.870 3.352 1.481 1.00 0.00 C ATOM 1094 CZ TYR A 64 3.097 3.764 1.944 1.00 0.00 C ATOM 1095 OH TYR A 64 3.193 4.898 2.700 1.00 0.00 O ATOM 0 H TYR A 64 2.478 -0.893 2.214 1.00 0.00 H new ATOM 0 HA TYR A 64 2.889 -1.933 -0.489 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.419 0.322 -1.304 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.736 0.175 -0.841 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.008 1.340 0.671 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.805 1.897 0.366 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.184 3.374 2.019 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.984 3.926 1.711 1.00 0.00 H new ATOM 0 HH TYR A 64 2.534 4.865 3.425 1.00 0.00 H new ATOM 1105 N GLN A 65 5.398 -1.383 -0.214 1.00 0.00 N ATOM 1106 CA GLN A 65 6.776 -1.229 0.125 1.00 0.00 C ATOM 1107 C GLN A 65 7.333 -0.068 -0.656 1.00 0.00 C ATOM 1108 O GLN A 65 6.962 0.153 -1.823 1.00 0.00 O ATOM 1109 CB GLN A 65 7.636 -2.482 -0.100 1.00 0.00 C ATOM 1110 CG GLN A 65 7.912 -2.835 -1.548 1.00 0.00 C ATOM 1111 CD GLN A 65 9.070 -3.794 -1.671 1.00 0.00 C ATOM 1112 OE1 GLN A 65 8.905 -5.001 -1.674 1.00 0.00 O ATOM 1113 NE2 GLN A 65 10.262 -3.265 -1.726 1.00 0.00 N ATOM 0 H GLN A 65 5.211 -1.660 -1.178 1.00 0.00 H new ATOM 0 HA GLN A 65 6.819 -1.047 1.199 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.589 -2.343 0.410 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.142 -3.330 0.374 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.021 -3.280 -1.992 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.129 -1.927 -2.110 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.371 -2.251 -1.722 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.085 -3.866 -1.773 1.00 0.00 H new ATOM 1122 N VAL A 66 8.164 0.686 -0.032 1.00 0.00 N ATOM 1123 CA VAL A 66 8.797 1.788 -0.678 1.00 0.00 C ATOM 1124 C VAL A 66 10.091 1.301 -1.263 1.00 0.00 C ATOM 1125 O VAL A 66 10.957 0.837 -0.549 1.00 0.00 O ATOM 1126 CB VAL A 66 9.071 2.949 0.314 1.00 0.00 C ATOM 1127 CG1 VAL A 66 9.862 4.069 -0.345 1.00 0.00 C ATOM 1128 CG2 VAL A 66 7.770 3.491 0.863 1.00 0.00 C ATOM 0 H VAL A 66 8.428 0.559 0.945 1.00 0.00 H new ATOM 0 HA VAL A 66 8.139 2.174 -1.456 1.00 0.00 H new ATOM 0 HB VAL A 66 9.668 2.549 1.134 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.036 4.866 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.819 3.681 -0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.299 4.463 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.979 4.305 1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.156 3.863 0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.236 2.697 1.385 1.00 0.00 H new ATOM 1138 N ILE A 67 10.199 1.301 -2.551 1.00 0.00 N ATOM 1139 CA ILE A 67 11.436 0.946 -3.147 1.00 0.00 C ATOM 1140 C ILE A 67 12.122 2.232 -3.521 1.00 0.00 C ATOM 1141 O ILE A 67 11.859 2.798 -4.591 1.00 0.00 O ATOM 1142 CB ILE A 67 11.274 0.070 -4.410 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.284 -1.073 -4.150 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.639 -0.502 -4.779 1.00 0.00 C ATOM 1145 CD1 ILE A 67 9.993 -1.940 -5.362 1.00 0.00 C ATOM 0 H ILE A 67 9.451 1.541 -3.202 1.00 0.00 H new ATOM 0 HA ILE A 67 12.010 0.353 -2.435 1.00 0.00 H new ATOM 0 HB ILE A 67 10.885 0.677 -5.227 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.678 -1.704 -3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.347 -0.650 -3.788 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.544 -1.124 -5.669 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.334 0.314 -4.979 1.00 0.00 H new ATOM 0 HG23 ILE A 67 13.016 -1.106 -3.953 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.285 -2.722 -5.088 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.567 -1.326 -6.155 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.918 -2.396 -5.714 1.00 0.00 H new ATOM 1157 N ASP A 68 12.983 2.707 -2.657 1.00 0.00 N ATOM 1158 CA ASP A 68 13.649 3.984 -2.884 1.00 0.00 C ATOM 1159 C ASP A 68 14.619 3.880 -4.042 1.00 0.00 C ATOM 1160 O ASP A 68 14.756 4.807 -4.830 1.00 0.00 O ATOM 1161 CB ASP A 68 14.341 4.487 -1.615 1.00 0.00 C ATOM 1162 CG ASP A 68 15.005 5.835 -1.807 1.00 0.00 C ATOM 1163 OD1 ASP A 68 14.340 6.880 -1.626 1.00 0.00 O ATOM 1164 OD2 ASP A 68 16.211 5.872 -2.143 1.00 0.00 O ATOM 0 H ASP A 68 13.245 2.238 -1.790 1.00 0.00 H new ATOM 0 HA ASP A 68 12.889 4.720 -3.147 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.609 4.558 -0.811 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.089 3.759 -1.301 1.00 0.00 H new ATOM 1169 N GLU A 69 15.213 2.700 -4.184 1.00 0.00 N ATOM 1170 CA GLU A 69 16.170 2.397 -5.265 1.00 0.00 C ATOM 1171 C GLU A 69 15.526 2.600 -6.641 1.00 0.00 C ATOM 1172 O GLU A 69 16.187 2.981 -7.603 1.00 0.00 O ATOM 1173 CB GLU A 69 16.600 0.944 -5.175 1.00 0.00 C ATOM 1174 CG GLU A 69 17.066 0.505 -3.810 1.00 0.00 C ATOM 1175 CD GLU A 69 17.409 -0.952 -3.789 1.00 0.00 C ATOM 1176 OE1 GLU A 69 16.557 -1.776 -4.184 1.00 0.00 O ATOM 1177 OE2 GLU A 69 18.540 -1.308 -3.422 1.00 0.00 O ATOM 0 H GLU A 69 15.049 1.916 -3.553 1.00 0.00 H new ATOM 0 HA GLU A 69 17.021 3.068 -5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.764 0.313 -5.478 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.404 0.773 -5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 69 17.938 1.089 -3.517 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.286 0.707 -3.076 1.00 0.00 H new ATOM 1184 N LYS A 70 14.242 2.318 -6.731 1.00 0.00 N ATOM 1185 CA LYS A 70 13.521 2.425 -7.995 1.00 0.00 C ATOM 1186 C LYS A 70 12.656 3.684 -8.004 1.00 0.00 C ATOM 1187 O LYS A 70 12.063 4.029 -9.021 1.00 0.00 O ATOM 1188 CB LYS A 70 12.640 1.186 -8.210 1.00 0.00 C ATOM 1189 CG LYS A 70 13.381 -0.147 -8.242 1.00 0.00 C ATOM 1190 CD LYS A 70 12.402 -1.314 -8.385 1.00 0.00 C ATOM 1191 CE LYS A 70 13.099 -2.659 -8.219 1.00 0.00 C ATOM 1192 NZ LYS A 70 12.165 -3.810 -8.344 1.00 0.00 N ATOM 0 H LYS A 70 13.670 2.012 -5.944 1.00 0.00 H new ATOM 0 HA LYS A 70 14.247 2.488 -8.805 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.895 1.149 -7.415 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.099 1.304 -9.149 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.086 -0.155 -9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.963 -0.266 -7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.612 -1.219 -7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.924 -1.270 -9.364 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.885 -2.751 -8.969 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.584 -2.694 -7.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.691 -4.699 -8.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.429 -3.741 -7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.721 -3.796 -9.284 1.00 0.00 H new ATOM 1206 N VAL A 71 12.604 4.358 -6.844 1.00 0.00 N ATOM 1207 CA VAL A 71 11.816 5.585 -6.627 1.00 0.00 C ATOM 1208 C VAL A 71 10.299 5.273 -6.806 1.00 0.00 C ATOM 1209 O VAL A 71 9.495 6.119 -7.172 1.00 0.00 O ATOM 1210 CB VAL A 71 12.303 6.762 -7.571 1.00 0.00 C ATOM 1211 CG1 VAL A 71 11.654 8.102 -7.214 1.00 0.00 C ATOM 1212 CG2 VAL A 71 13.819 6.904 -7.511 1.00 0.00 C ATOM 0 H VAL A 71 13.118 4.061 -6.014 1.00 0.00 H new ATOM 0 HA VAL A 71 11.973 5.931 -5.605 1.00 0.00 H new ATOM 0 HB VAL A 71 11.995 6.499 -8.583 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.020 8.875 -7.889 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.571 8.019 -7.311 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.907 8.367 -6.188 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.134 7.717 -8.165 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.124 7.123 -6.488 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.285 5.974 -7.837 1.00 0.00 H new ATOM 1222 N VAL A 72 9.907 4.067 -6.457 1.00 0.00 N ATOM 1223 CA VAL A 72 8.528 3.669 -6.620 1.00 0.00 C ATOM 1224 C VAL A 72 7.990 3.020 -5.347 1.00 0.00 C ATOM 1225 O VAL A 72 8.691 2.276 -4.652 1.00 0.00 O ATOM 1226 CB VAL A 72 8.318 2.724 -7.866 1.00 0.00 C ATOM 1227 CG1 VAL A 72 9.071 1.419 -7.720 1.00 0.00 C ATOM 1228 CG2 VAL A 72 6.838 2.456 -8.141 1.00 0.00 C ATOM 0 H VAL A 72 10.518 3.352 -6.062 1.00 0.00 H new ATOM 0 HA VAL A 72 7.958 4.578 -6.811 1.00 0.00 H new ATOM 0 HB VAL A 72 8.728 3.257 -8.724 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.898 0.799 -8.600 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.137 1.623 -7.623 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.720 0.894 -6.832 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.742 1.801 -9.007 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.387 1.977 -7.272 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.328 3.399 -8.340 1.00 0.00 H new ATOM 1238 N VAL A 73 6.788 3.364 -5.030 1.00 0.00 N ATOM 1239 CA VAL A 73 6.054 2.798 -3.955 1.00 0.00 C ATOM 1240 C VAL A 73 5.180 1.709 -4.553 1.00 0.00 C ATOM 1241 O VAL A 73 4.298 1.982 -5.387 1.00 0.00 O ATOM 1242 CB VAL A 73 5.182 3.882 -3.267 1.00 0.00 C ATOM 1243 CG1 VAL A 73 4.300 3.281 -2.204 1.00 0.00 C ATOM 1244 CG2 VAL A 73 6.062 4.958 -2.656 1.00 0.00 C ATOM 0 H VAL A 73 6.269 4.080 -5.538 1.00 0.00 H new ATOM 0 HA VAL A 73 6.720 2.390 -3.195 1.00 0.00 H new ATOM 0 HB VAL A 73 4.544 4.328 -4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.702 4.066 -1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.640 2.540 -2.655 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.919 2.802 -1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.436 5.711 -2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.723 4.510 -1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.660 5.427 -3.438 1.00 0.00 H new ATOM 1254 N PHE A 74 5.442 0.501 -4.169 1.00 0.00 N ATOM 1255 CA PHE A 74 4.774 -0.633 -4.735 1.00 0.00 C ATOM 1256 C PHE A 74 3.769 -1.188 -3.747 1.00 0.00 C ATOM 1257 O PHE A 74 4.151 -1.708 -2.690 1.00 0.00 O ATOM 1258 CB PHE A 74 5.814 -1.696 -5.118 1.00 0.00 C ATOM 1259 CG PHE A 74 5.252 -2.912 -5.797 1.00 0.00 C ATOM 1260 CD1 PHE A 74 4.900 -2.868 -7.134 1.00 0.00 C ATOM 1261 CD2 PHE A 74 5.079 -4.098 -5.100 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.389 -3.979 -7.764 1.00 0.00 C ATOM 1263 CE2 PHE A 74 4.567 -5.214 -5.725 1.00 0.00 C ATOM 1264 CZ PHE A 74 4.221 -5.154 -7.060 1.00 0.00 C ATOM 0 H PHE A 74 6.128 0.269 -3.451 1.00 0.00 H new ATOM 0 HA PHE A 74 4.234 -0.332 -5.633 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.554 -1.240 -5.775 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.340 -2.011 -4.217 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.028 -1.951 -7.690 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.349 -4.148 -4.055 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.119 -3.932 -8.809 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.437 -6.133 -5.172 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.819 -6.026 -7.553 1.00 0.00 H new ATOM 1274 N VAL A 75 2.502 -1.050 -4.071 1.00 0.00 N ATOM 1275 CA VAL A 75 1.433 -1.558 -3.240 1.00 0.00 C ATOM 1276 C VAL A 75 1.360 -3.056 -3.404 1.00 0.00 C ATOM 1277 O VAL A 75 1.186 -3.561 -4.517 1.00 0.00 O ATOM 1278 CB VAL A 75 0.066 -0.912 -3.580 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -1.040 -1.449 -2.669 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.155 0.605 -3.481 1.00 0.00 C ATOM 0 H VAL A 75 2.184 -0.582 -4.919 1.00 0.00 H new ATOM 0 HA VAL A 75 1.653 -1.300 -2.204 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.188 -1.178 -4.606 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.988 -0.978 -2.931 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.124 -2.528 -2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.797 -1.224 -1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.813 1.043 -3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.438 0.887 -2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.904 0.972 -4.182 1.00 0.00 H new ATOM 1290 N ILE A 76 1.500 -3.747 -2.308 1.00 0.00 N ATOM 1291 CA ILE A 76 1.579 -5.181 -2.314 1.00 0.00 C ATOM 1292 C ILE A 76 0.200 -5.788 -2.058 1.00 0.00 C ATOM 1293 O ILE A 76 -0.189 -6.767 -2.691 1.00 0.00 O ATOM 1294 CB ILE A 76 2.564 -5.670 -1.222 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.903 -4.926 -1.334 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.795 -7.162 -1.369 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.878 -5.246 -0.221 1.00 0.00 C ATOM 0 H ILE A 76 1.563 -3.329 -1.380 1.00 0.00 H new ATOM 0 HA ILE A 76 1.938 -5.500 -3.292 1.00 0.00 H new ATOM 0 HB ILE A 76 2.129 -5.465 -0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.365 -5.172 -2.290 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.712 -3.853 -1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.488 -7.500 -0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.847 -7.689 -1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.216 -7.370 -2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.799 -4.682 -0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.437 -4.974 0.738 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.101 -6.313 -0.228 1.00 0.00 H new ATOM 1309 N SER A 77 -0.538 -5.196 -1.140 1.00 0.00 N ATOM 1310 CA SER A 77 -1.841 -5.697 -0.791 1.00 0.00 C ATOM 1311 C SER A 77 -2.674 -4.557 -0.209 1.00 0.00 C ATOM 1312 O SER A 77 -2.122 -3.596 0.344 1.00 0.00 O ATOM 1313 CB SER A 77 -1.705 -6.862 0.214 1.00 0.00 C ATOM 1314 OG SER A 77 -2.953 -7.492 0.462 1.00 0.00 O ATOM 0 H SER A 77 -0.251 -4.364 -0.624 1.00 0.00 H new ATOM 0 HA SER A 77 -2.345 -6.080 -1.678 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.998 -7.596 -0.173 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.294 -6.487 1.152 1.00 0.00 H new ATOM 0 HG SER A 77 -2.828 -8.225 1.101 1.00 0.00 H new ATOM 1320 N VAL A 78 -3.971 -4.643 -0.361 1.00 0.00 N ATOM 1321 CA VAL A 78 -4.880 -3.637 0.120 1.00 0.00 C ATOM 1322 C VAL A 78 -6.205 -4.318 0.485 1.00 0.00 C ATOM 1323 O VAL A 78 -6.564 -5.336 -0.120 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.090 -2.512 -0.958 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -5.686 -3.053 -2.247 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -5.929 -1.372 -0.420 1.00 0.00 C ATOM 0 H VAL A 78 -4.430 -5.425 -0.829 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.466 -3.153 1.005 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.099 -2.123 -1.193 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.812 -2.238 -2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.019 -3.804 -2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.656 -3.505 -2.038 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.052 -0.614 -1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.907 -1.749 -0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.432 -0.931 0.444 1.00 0.00 H new ATOM 1336 N GLY A 79 -6.884 -3.812 1.487 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.159 -4.369 1.867 1.00 0.00 C ATOM 1338 C GLY A 79 -8.397 -4.227 3.342 1.00 0.00 C ATOM 1339 O GLY A 79 -7.892 -3.302 3.960 1.00 0.00 O ATOM 0 H GLY A 79 -6.577 -3.020 2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.956 -3.867 1.318 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.195 -5.423 1.590 1.00 0.00 H new ATOM 1343 N LYS A 80 -9.150 -5.118 3.911 1.00 0.00 N ATOM 1344 CA LYS A 80 -9.395 -5.077 5.332 1.00 0.00 C ATOM 1345 C LYS A 80 -8.324 -5.886 6.012 1.00 0.00 C ATOM 1346 O LYS A 80 -7.962 -6.964 5.537 1.00 0.00 O ATOM 1347 CB LYS A 80 -10.773 -5.621 5.677 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.907 -4.913 4.968 1.00 0.00 C ATOM 1349 CD LYS A 80 -13.241 -5.432 5.441 1.00 0.00 C ATOM 1350 CE LYS A 80 -14.382 -4.842 4.636 1.00 0.00 C ATOM 1351 NZ LYS A 80 -15.693 -5.349 5.073 1.00 0.00 N ATOM 0 H LYS A 80 -9.608 -5.885 3.419 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.368 -4.043 5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.807 -6.681 5.427 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.925 -5.542 6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.843 -3.840 5.151 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.816 -5.058 3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.260 -6.519 5.359 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.374 -5.189 6.495 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.366 -3.756 4.728 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.238 -5.075 3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -16.442 -4.918 4.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.720 -6.383 4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.844 -5.105 6.073 1.00 0.00 H new ATOM 1365 N ALA A 81 -7.811 -5.385 7.098 1.00 0.00 N ATOM 1366 CA ALA A 81 -6.719 -6.035 7.752 1.00 0.00 C ATOM 1367 C ALA A 81 -6.956 -6.191 9.227 1.00 0.00 C ATOM 1368 O ALA A 81 -6.879 -5.213 9.995 1.00 0.00 O ATOM 1369 CB ALA A 81 -5.433 -5.271 7.512 1.00 0.00 C ATOM 0 H ALA A 81 -8.133 -4.528 7.548 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.634 -7.034 7.324 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.610 -5.777 8.016 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.231 -5.226 6.442 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.532 -4.259 7.905 1.00 0.00 H new ATOM 1426 N VAL A 86 -3.384 -9.205 5.184 1.00 0.00 N ATOM 1427 CA VAL A 86 -2.526 -8.392 4.351 1.00 0.00 C ATOM 1428 C VAL A 86 -1.066 -8.785 4.488 1.00 0.00 C ATOM 1429 O VAL A 86 -0.313 -8.706 3.530 1.00 0.00 O ATOM 1430 CB VAL A 86 -2.708 -6.869 4.595 1.00 0.00 C ATOM 1431 CG1 VAL A 86 -4.110 -6.427 4.192 1.00 0.00 C ATOM 1432 CG2 VAL A 86 -2.431 -6.505 6.050 1.00 0.00 C ATOM 0 HA VAL A 86 -2.839 -8.591 3.326 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.984 -6.342 3.974 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.219 -5.357 4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.268 -6.637 3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.847 -6.970 4.783 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.567 -5.432 6.189 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.121 -7.045 6.698 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.407 -6.777 6.304 1.00 0.00 H new ATOM 1442 N TYR A 87 -0.681 -9.261 5.662 1.00 0.00 N ATOM 1443 CA TYR A 87 0.714 -9.606 5.907 1.00 0.00 C ATOM 1444 C TYR A 87 1.089 -10.899 5.207 1.00 0.00 C ATOM 1445 O TYR A 87 2.132 -10.974 4.549 1.00 0.00 O ATOM 1446 CB TYR A 87 1.035 -9.714 7.402 1.00 0.00 C ATOM 1447 CG TYR A 87 0.807 -8.453 8.226 1.00 0.00 C ATOM 1448 CD1 TYR A 87 0.924 -7.185 7.670 1.00 0.00 C ATOM 1449 CD2 TYR A 87 0.499 -8.542 9.578 1.00 0.00 C ATOM 1450 CE1 TYR A 87 0.736 -6.051 8.436 1.00 0.00 C ATOM 1451 CE2 TYR A 87 0.307 -7.410 10.347 1.00 0.00 C ATOM 1452 CZ TYR A 87 0.427 -6.169 9.770 1.00 0.00 C ATOM 1453 OH TYR A 87 0.248 -5.031 10.541 1.00 0.00 O ATOM 0 H TYR A 87 -1.306 -9.417 6.453 1.00 0.00 H new ATOM 0 HA TYR A 87 1.309 -8.791 5.496 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.431 -10.516 7.826 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.078 -10.011 7.509 1.00 0.00 H new ATOM 0 HD1 TYR A 87 1.166 -7.084 6.622 1.00 0.00 H new ATOM 0 HD2 TYR A 87 0.408 -9.515 10.037 1.00 0.00 H new ATOM 0 HE1 TYR A 87 0.832 -5.073 7.987 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.064 -7.500 11.395 1.00 0.00 H new ATOM 0 HH TYR A 87 0.034 -5.290 11.462 1.00 0.00 H new ATOM 1463 N SER A 88 0.226 -11.900 5.323 1.00 0.00 N ATOM 1464 CA SER A 88 0.458 -13.188 4.716 1.00 0.00 C ATOM 1465 C SER A 88 0.468 -13.067 3.202 1.00 0.00 C ATOM 1466 O SER A 88 1.309 -13.667 2.538 1.00 0.00 O ATOM 1467 CB SER A 88 -0.591 -14.191 5.186 1.00 0.00 C ATOM 1468 OG SER A 88 -0.594 -14.267 6.609 1.00 0.00 O ATOM 0 H SER A 88 -0.650 -11.834 5.841 1.00 0.00 H new ATOM 0 HA SER A 88 1.436 -13.554 5.027 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.576 -13.893 4.828 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.382 -15.173 4.762 1.00 0.00 H new ATOM 0 HG SER A 88 -1.272 -14.912 6.901 1.00 0.00 H new ATOM 1474 N GLU A 89 -0.433 -12.255 2.662 1.00 0.00 N ATOM 1475 CA GLU A 89 -0.455 -12.032 1.240 1.00 0.00 C ATOM 1476 C GLU A 89 0.828 -11.322 0.822 1.00 0.00 C ATOM 1477 O GLU A 89 1.501 -11.757 -0.096 1.00 0.00 O ATOM 1478 CB GLU A 89 -1.677 -11.204 0.826 1.00 0.00 C ATOM 1479 CG GLU A 89 -1.810 -11.024 -0.683 1.00 0.00 C ATOM 1480 CD GLU A 89 -2.023 -12.338 -1.409 1.00 0.00 C ATOM 1481 OE1 GLU A 89 -1.049 -13.077 -1.669 1.00 0.00 O ATOM 1482 OE2 GLU A 89 -3.180 -12.670 -1.722 1.00 0.00 O ATOM 0 H GLU A 89 -1.146 -11.750 3.188 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.523 -12.997 0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.578 -11.686 1.207 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.617 -10.223 1.297 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.646 -10.357 -0.894 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.912 -10.541 -1.068 1.00 0.00 H new ATOM 1489 N ALA A 90 1.187 -10.267 1.562 1.00 0.00 N ATOM 1490 CA ALA A 90 2.366 -9.455 1.266 1.00 0.00 C ATOM 1491 C ALA A 90 3.636 -10.286 1.190 1.00 0.00 C ATOM 1492 O ALA A 90 4.381 -10.197 0.211 1.00 0.00 O ATOM 1493 CB ALA A 90 2.527 -8.330 2.276 1.00 0.00 C ATOM 0 H ALA A 90 0.667 -9.955 2.382 1.00 0.00 H new ATOM 0 HA ALA A 90 2.203 -9.018 0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.412 -7.744 2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.647 -7.687 2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.637 -8.751 3.275 1.00 0.00 H new