USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 431 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 62 THR OG1 : rot -34:sc= -0.218 USER MOD Set 1.2: A 65 GLN :FLIP amide:sc= -0.068 F(o=-1.1,f=-0.29) USER MOD Single : A 6 GLN : amide:sc= -0.268 K(o=-0.27,f=-2!) USER MOD Single : A 7 GLN :FLIP amide:sc= -0.287 F(o=-0.81,f=-0.29) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.306 F(o=-0.92,f=-0.31) USER MOD Single : A 13 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.23) USER MOD Single : A 26 GLN : amide:sc= -0.987 X(o=-0.99,f=-0.79) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 22:sc= 0.339 USER MOD Single : A 37 GLN : amide:sc= -0.0639 X(o=-0.064,f=-0.091) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -164:sc=-0.00903 (180deg=-0.254) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -36:sc= 0.464 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 2.303 -10.679 12.829 1.00 0.00 N ATOM 2 CA GLN A 6 1.383 -9.567 13.036 1.00 0.00 C ATOM 3 C GLN A 6 2.130 -8.350 13.576 1.00 0.00 C ATOM 4 O GLN A 6 1.589 -7.246 13.621 1.00 0.00 O ATOM 5 CB GLN A 6 0.282 -9.976 14.019 1.00 0.00 C ATOM 6 CG GLN A 6 -0.930 -9.055 13.850 1.00 0.00 C ATOM 7 CD GLN A 6 -1.638 -9.361 12.534 1.00 0.00 C ATOM 8 OE1 GLN A 6 -1.452 -10.435 11.963 1.00 0.00 O ATOM 9 NE2 GLN A 6 -2.444 -8.474 12.017 1.00 0.00 N ATOM 0 HA GLN A 6 0.933 -9.306 12.078 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.009 -11.012 13.844 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.655 -9.919 15.042 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -1.619 -9.191 14.683 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.611 -8.013 13.867 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.596 -7.585 12.493 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.922 -8.670 11.137 1.00 0.00 H new ATOM 18 N GLN A 7 3.377 -8.562 13.984 1.00 0.00 N ATOM 19 CA GLN A 7 4.188 -7.477 14.517 1.00 0.00 C ATOM 20 C GLN A 7 4.421 -6.412 13.451 1.00 0.00 C ATOM 21 O GLN A 7 4.030 -5.258 13.618 1.00 0.00 O ATOM 22 CB GLN A 7 5.534 -8.025 14.998 1.00 0.00 C ATOM 23 CG GLN A 7 5.315 -8.918 16.221 1.00 0.00 C ATOM 24 CD GLN A 7 5.023 -8.059 17.447 1.00 0.00 C ATOM 25 OE1 GLN A 7 3.798 -7.681 17.692 1.00 0.00 O flip ATOM 26 NE2 GLN A 7 5.936 -7.725 18.204 1.00 0.00 N flip ATOM 0 H GLN A 7 3.844 -9.468 13.956 1.00 0.00 H new ATOM 0 HA GLN A 7 3.658 -7.025 15.355 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.013 -8.593 14.201 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.204 -7.203 15.250 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.485 -9.601 16.039 1.00 0.00 H new ATOM 0 HG3 GLN A 7 6.199 -9.530 16.398 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.893 -8.021 18.011 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.735 -7.152 19.024 1.00 0.00 H new ATOM 35 N GLN A 8 5.054 -6.806 12.353 1.00 0.00 N ATOM 36 CA GLN A 8 5.331 -5.874 11.267 1.00 0.00 C ATOM 37 C GLN A 8 4.067 -5.112 10.875 1.00 0.00 C ATOM 38 O GLN A 8 4.133 -3.955 10.458 1.00 0.00 O ATOM 39 CB GLN A 8 5.869 -6.632 10.052 1.00 0.00 C ATOM 40 CG GLN A 8 6.550 -5.651 9.094 1.00 0.00 C ATOM 41 CD GLN A 8 7.914 -5.248 9.645 1.00 0.00 C ATOM 42 OE1 GLN A 8 8.002 -4.241 10.471 1.00 0.00 O flip ATOM 43 NE2 GLN A 8 8.926 -5.865 9.313 1.00 0.00 N flip ATOM 0 H GLN A 8 5.383 -7.758 12.191 1.00 0.00 H new ATOM 0 HA GLN A 8 6.079 -5.160 11.611 1.00 0.00 H new ATOM 0 HB2 GLN A 8 6.579 -7.395 10.372 1.00 0.00 H new ATOM 0 HB3 GLN A 8 5.055 -7.147 9.543 1.00 0.00 H new ATOM 0 HG2 GLN A 8 6.666 -6.110 8.112 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.926 -4.767 8.961 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.855 -6.652 8.667 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.836 -5.590 9.683 1.00 0.00 H new ATOM 52 N ALA A 9 2.919 -5.769 11.008 1.00 0.00 N ATOM 53 CA ALA A 9 1.646 -5.144 10.659 1.00 0.00 C ATOM 54 C ALA A 9 1.295 -4.030 11.640 1.00 0.00 C ATOM 55 O ALA A 9 1.201 -2.863 11.258 1.00 0.00 O ATOM 56 CB ALA A 9 0.532 -6.193 10.658 1.00 0.00 C ATOM 0 H ALA A 9 2.843 -6.726 11.352 1.00 0.00 H new ATOM 0 HA ALA A 9 1.744 -4.711 9.663 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.414 -5.719 10.397 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.763 -6.968 9.928 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.452 -6.640 11.649 1.00 0.00 H new ATOM 62 N VAL A 10 1.094 -4.392 12.902 1.00 0.00 N ATOM 63 CA VAL A 10 0.748 -3.403 13.918 1.00 0.00 C ATOM 64 C VAL A 10 1.888 -2.409 14.114 1.00 0.00 C ATOM 65 O VAL A 10 1.659 -1.246 14.448 1.00 0.00 O ATOM 66 CB VAL A 10 0.437 -4.098 15.245 1.00 0.00 C ATOM 67 CG1 VAL A 10 1.692 -4.803 15.757 1.00 0.00 C ATOM 68 CG2 VAL A 10 -0.016 -3.056 16.271 1.00 0.00 C ATOM 0 H VAL A 10 1.163 -5.350 13.244 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.135 -2.861 13.579 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.356 -4.831 15.095 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.471 -5.298 16.702 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.017 -5.544 15.026 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.485 -4.070 15.908 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.238 -3.550 17.217 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.778 -2.324 16.421 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.911 -2.551 15.906 1.00 0.00 H new ATOM 78 N LEU A 11 3.116 -2.871 13.904 1.00 0.00 N ATOM 79 CA LEU A 11 4.282 -2.007 14.063 1.00 0.00 C ATOM 80 C LEU A 11 4.301 -0.929 12.983 1.00 0.00 C ATOM 81 O LEU A 11 4.192 0.261 13.281 1.00 0.00 O ATOM 82 CB LEU A 11 5.569 -2.833 13.982 1.00 0.00 C ATOM 83 CG LEU A 11 5.758 -3.650 15.267 1.00 0.00 C ATOM 84 CD1 LEU A 11 6.968 -4.573 15.102 1.00 0.00 C ATOM 85 CD2 LEU A 11 5.995 -2.709 16.460 1.00 0.00 C ATOM 0 H LEU A 11 3.330 -3.829 13.626 1.00 0.00 H new ATOM 0 HA LEU A 11 4.221 -1.529 15.041 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.527 -3.500 13.121 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.424 -2.173 13.833 1.00 0.00 H new ATOM 0 HG LEU A 11 4.861 -4.241 15.452 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.107 -5.156 16.012 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.800 -5.246 14.262 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.859 -3.974 14.915 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.128 -3.298 17.367 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.889 -2.112 16.281 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.136 -2.049 16.579 1.00 0.00 H new ATOM 97 N GLU A 12 4.445 -1.348 11.729 1.00 0.00 N ATOM 98 CA GLU A 12 4.480 -0.400 10.621 1.00 0.00 C ATOM 99 C GLU A 12 3.225 0.467 10.617 1.00 0.00 C ATOM 100 O GLU A 12 3.287 1.664 10.339 1.00 0.00 O ATOM 101 CB GLU A 12 4.605 -1.148 9.287 1.00 0.00 C ATOM 102 CG GLU A 12 3.247 -1.728 8.883 1.00 0.00 C ATOM 103 CD GLU A 12 3.430 -2.778 7.793 1.00 0.00 C ATOM 104 OE1 GLU A 12 3.958 -3.834 8.099 1.00 0.00 O ATOM 105 OE2 GLU A 12 3.042 -2.509 6.668 1.00 0.00 O ATOM 0 H GLU A 12 4.538 -2.327 11.457 1.00 0.00 H new ATOM 0 HA GLU A 12 5.349 0.246 10.749 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.965 -0.470 8.513 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.339 -1.948 9.377 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.761 -2.174 9.751 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.594 -0.932 8.526 1.00 0.00 H new ATOM 112 N GLN A 13 2.086 -0.145 10.932 1.00 0.00 N ATOM 113 CA GLN A 13 0.825 0.587 10.965 1.00 0.00 C ATOM 114 C GLN A 13 0.882 1.696 12.009 1.00 0.00 C ATOM 115 O GLN A 13 0.495 2.834 11.741 1.00 0.00 O ATOM 116 CB GLN A 13 -0.328 -0.368 11.289 1.00 0.00 C ATOM 117 CG GLN A 13 -1.663 0.369 11.151 1.00 0.00 C ATOM 118 CD GLN A 13 -1.908 0.740 9.693 1.00 0.00 C ATOM 119 OE1 GLN A 13 -2.384 -0.083 8.913 1.00 0.00 O ATOM 120 NE2 GLN A 13 -1.608 1.940 9.277 1.00 0.00 N ATOM 0 H GLN A 13 2.011 -1.135 11.165 1.00 0.00 H new ATOM 0 HA GLN A 13 0.658 1.033 9.985 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.303 -1.225 10.616 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.218 -0.755 12.302 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.474 -0.261 11.515 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.656 1.268 11.767 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.213 2.621 9.926 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.768 2.197 8.303 1.00 0.00 H new ATOM 129 N GLU A 14 1.369 1.360 13.199 1.00 0.00 N ATOM 130 CA GLU A 14 1.474 2.339 14.274 1.00 0.00 C ATOM 131 C GLU A 14 2.418 3.468 13.871 1.00 0.00 C ATOM 132 O GLU A 14 2.061 4.644 13.937 1.00 0.00 O ATOM 133 CB GLU A 14 1.989 1.665 15.549 1.00 0.00 C ATOM 134 CG GLU A 14 0.849 0.894 16.219 1.00 0.00 C ATOM 135 CD GLU A 14 -0.073 1.861 16.955 1.00 0.00 C ATOM 136 OE1 GLU A 14 0.435 2.795 17.553 1.00 0.00 O ATOM 137 OE2 GLU A 14 -1.275 1.653 16.909 1.00 0.00 O ATOM 0 H GLU A 14 1.695 0.425 13.442 1.00 0.00 H new ATOM 0 HA GLU A 14 0.485 2.756 14.463 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.808 0.987 15.309 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.386 2.414 16.234 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.284 0.339 15.470 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.255 0.163 16.918 1.00 0.00 H new ATOM 144 N ARG A 15 3.624 3.100 13.448 1.00 0.00 N ATOM 145 CA ARG A 15 4.612 4.090 13.034 1.00 0.00 C ATOM 146 C ARG A 15 4.003 5.058 12.024 1.00 0.00 C ATOM 147 O ARG A 15 4.171 6.273 12.135 1.00 0.00 O ATOM 148 CB ARG A 15 5.820 3.391 12.409 1.00 0.00 C ATOM 149 CG ARG A 15 6.623 2.681 13.501 1.00 0.00 C ATOM 150 CD ARG A 15 7.579 1.672 12.860 1.00 0.00 C ATOM 151 NE ARG A 15 8.127 2.213 11.621 1.00 0.00 N ATOM 152 CZ ARG A 15 8.802 1.443 10.775 1.00 0.00 C ATOM 153 NH1 ARG A 15 8.986 0.180 11.045 1.00 0.00 N ATOM 154 NH2 ARG A 15 9.283 1.951 9.672 1.00 0.00 N ATOM 0 H ARG A 15 3.939 2.132 13.383 1.00 0.00 H new ATOM 0 HA ARG A 15 4.932 4.650 13.913 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.489 2.671 11.660 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.449 4.119 11.896 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.185 3.410 14.085 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.949 2.172 14.190 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.388 1.437 13.552 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.052 0.740 12.657 1.00 0.00 H new ATOM 0 HE ARG A 15 7.989 3.199 11.401 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.611 -0.217 11.907 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.505 -0.410 10.395 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.140 2.939 9.461 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.801 1.360 9.022 1.00 0.00 H new ATOM 168 N ARG A 16 3.292 4.511 11.043 1.00 0.00 N ATOM 169 CA ARG A 16 2.659 5.336 10.020 1.00 0.00 C ATOM 170 C ARG A 16 1.621 6.260 10.647 1.00 0.00 C ATOM 171 O ARG A 16 1.711 7.482 10.529 1.00 0.00 O ATOM 172 CB ARG A 16 1.990 4.444 8.973 1.00 0.00 C ATOM 173 CG ARG A 16 1.588 5.289 7.762 1.00 0.00 C ATOM 174 CD ARG A 16 0.944 4.393 6.703 1.00 0.00 C ATOM 175 NE ARG A 16 1.882 3.359 6.278 1.00 0.00 N ATOM 176 CZ ARG A 16 1.553 2.476 5.340 1.00 0.00 C ATOM 177 NH1 ARG A 16 0.374 2.525 4.783 1.00 0.00 N ATOM 178 NH2 ARG A 16 2.409 1.561 4.978 1.00 0.00 N ATOM 0 H ARG A 16 3.140 3.508 10.935 1.00 0.00 H new ATOM 0 HA ARG A 16 3.426 5.944 9.540 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.672 3.651 8.666 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.111 3.961 9.400 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.890 6.069 8.066 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.464 5.788 7.347 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.042 3.932 7.106 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.640 4.993 5.845 1.00 0.00 H new ATOM 0 HE ARG A 16 2.806 3.313 6.708 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.295 3.241 5.067 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.121 1.848 4.063 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.330 1.523 5.414 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.157 0.883 4.258 1.00 0.00 H new ATOM 192 N ASP A 17 0.636 5.668 11.315 1.00 0.00 N ATOM 193 CA ASP A 17 -0.414 6.451 11.959 1.00 0.00 C ATOM 194 C ASP A 17 0.180 7.666 12.663 1.00 0.00 C ATOM 195 O ASP A 17 -0.340 8.777 12.550 1.00 0.00 O ATOM 196 CB ASP A 17 -1.161 5.585 12.975 1.00 0.00 C ATOM 197 CG ASP A 17 -2.461 6.269 13.387 1.00 0.00 C ATOM 198 OD1 ASP A 17 -3.408 6.208 12.621 1.00 0.00 O ATOM 199 OD2 ASP A 17 -2.488 6.845 14.462 1.00 0.00 O ATOM 0 H ASP A 17 0.542 4.658 11.424 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.109 6.793 11.192 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.376 4.607 12.544 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.535 5.417 13.851 1.00 0.00 H new ATOM 204 N ARG A 18 1.274 7.449 13.385 1.00 0.00 N ATOM 205 CA ARG A 18 1.932 8.535 14.101 1.00 0.00 C ATOM 206 C ARG A 18 2.481 9.564 13.118 1.00 0.00 C ATOM 207 O ARG A 18 2.215 10.759 13.243 1.00 0.00 O ATOM 208 CB ARG A 18 3.073 7.982 14.957 1.00 0.00 C ATOM 209 CG ARG A 18 2.493 7.219 16.149 1.00 0.00 C ATOM 210 CD ARG A 18 3.617 6.488 16.884 1.00 0.00 C ATOM 211 NE ARG A 18 3.138 5.982 18.165 1.00 0.00 N ATOM 212 CZ ARG A 18 3.987 5.604 19.115 1.00 0.00 C ATOM 213 NH1 ARG A 18 5.273 5.683 18.910 1.00 0.00 N ATOM 214 NH2 ARG A 18 3.533 5.155 20.254 1.00 0.00 N ATOM 0 H ARG A 18 1.721 6.538 13.490 1.00 0.00 H new ATOM 0 HA ARG A 18 1.199 9.019 14.746 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.702 7.322 14.360 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.707 8.797 15.307 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.990 7.909 16.826 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.743 6.505 15.807 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.984 5.663 16.273 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.457 7.164 17.043 1.00 0.00 H new ATOM 0 HE ARG A 18 2.134 5.917 18.335 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.627 6.035 18.020 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.924 5.393 19.639 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.527 5.095 20.414 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.184 4.865 20.984 1.00 0.00 H new ATOM 228 N GLU A 19 3.246 9.091 12.139 1.00 0.00 N ATOM 229 CA GLU A 19 3.824 9.981 11.139 1.00 0.00 C ATOM 230 C GLU A 19 2.764 10.940 10.604 1.00 0.00 C ATOM 231 O GLU A 19 2.903 12.158 10.712 1.00 0.00 O ATOM 232 CB GLU A 19 4.407 9.163 9.984 1.00 0.00 C ATOM 233 CG GLU A 19 5.713 8.504 10.433 1.00 0.00 C ATOM 234 CD GLU A 19 6.152 7.463 9.408 1.00 0.00 C ATOM 235 OE1 GLU A 19 6.526 7.858 8.316 1.00 0.00 O ATOM 236 OE2 GLU A 19 6.108 6.288 9.730 1.00 0.00 O ATOM 0 H GLU A 19 3.478 8.105 12.017 1.00 0.00 H new ATOM 0 HA GLU A 19 4.619 10.560 11.609 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.694 8.402 9.667 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.589 9.807 9.124 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.489 9.260 10.551 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.576 8.033 11.406 1.00 0.00 H new ATOM 243 N LEU A 20 1.703 10.381 10.031 1.00 0.00 N ATOM 244 CA LEU A 20 0.624 11.198 9.488 1.00 0.00 C ATOM 245 C LEU A 20 0.077 12.131 10.563 1.00 0.00 C ATOM 246 O LEU A 20 0.161 13.353 10.439 1.00 0.00 O ATOM 247 CB LEU A 20 -0.500 10.301 8.961 1.00 0.00 C ATOM 248 CG LEU A 20 -0.141 9.791 7.561 1.00 0.00 C ATOM 249 CD1 LEU A 20 1.241 9.137 7.592 1.00 0.00 C ATOM 250 CD2 LEU A 20 -1.181 8.761 7.114 1.00 0.00 C ATOM 0 H LEU A 20 1.568 9.375 9.931 1.00 0.00 H new ATOM 0 HA LEU A 20 1.019 11.796 8.667 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.654 9.460 9.637 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.437 10.858 8.927 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.130 10.627 6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.495 8.775 6.596 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.983 9.869 7.912 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.232 8.300 8.291 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.928 8.397 6.118 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.190 7.926 7.814 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.167 9.226 7.090 1.00 0.00 H new ATOM 262 N ALA A 21 -0.480 11.547 11.621 1.00 0.00 N ATOM 263 CA ALA A 21 -1.035 12.337 12.715 1.00 0.00 C ATOM 264 C ALA A 21 -0.133 13.526 13.029 1.00 0.00 C ATOM 265 O ALA A 21 -0.612 14.625 13.311 1.00 0.00 O ATOM 266 CB ALA A 21 -1.187 11.465 13.963 1.00 0.00 C ATOM 0 H ALA A 21 -0.559 10.537 11.743 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.013 12.709 12.410 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.602 12.062 14.775 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.856 10.632 13.746 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.211 11.079 14.258 1.00 0.00 H new ATOM 272 N LEU A 22 1.176 13.299 12.972 1.00 0.00 N ATOM 273 CA LEU A 22 2.137 14.360 13.245 1.00 0.00 C ATOM 274 C LEU A 22 2.063 15.425 12.158 1.00 0.00 C ATOM 275 O LEU A 22 1.987 16.620 12.446 1.00 0.00 O ATOM 276 CB LEU A 22 3.555 13.783 13.306 1.00 0.00 C ATOM 277 CG LEU A 22 4.502 14.799 13.960 1.00 0.00 C ATOM 278 CD1 LEU A 22 4.470 14.636 15.483 1.00 0.00 C ATOM 279 CD2 LEU A 22 5.930 14.561 13.459 1.00 0.00 C ATOM 0 H LEU A 22 1.592 12.397 12.741 1.00 0.00 H new ATOM 0 HA LEU A 22 1.894 14.813 14.206 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.555 12.853 13.875 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.903 13.542 12.302 1.00 0.00 H new ATOM 0 HG LEU A 22 4.181 15.807 13.697 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.144 15.360 15.941 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.456 14.805 15.846 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.787 13.627 15.748 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.603 15.282 13.923 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.244 13.551 13.721 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.960 14.681 12.376 1.00 0.00 H new ATOM 291 N ARG A 23 2.077 14.981 10.905 1.00 0.00 N ATOM 292 CA ARG A 23 2.002 15.903 9.780 1.00 0.00 C ATOM 293 C ARG A 23 0.735 16.743 9.878 1.00 0.00 C ATOM 294 O ARG A 23 0.792 17.974 9.916 1.00 0.00 O ATOM 295 CB ARG A 23 2.001 15.121 8.464 1.00 0.00 C ATOM 296 CG ARG A 23 3.430 14.694 8.117 1.00 0.00 C ATOM 297 CD ARG A 23 3.392 13.598 7.052 1.00 0.00 C ATOM 298 NE ARG A 23 2.459 13.956 5.990 1.00 0.00 N ATOM 299 CZ ARG A 23 2.450 13.304 4.832 1.00 0.00 C ATOM 300 NH1 ARG A 23 3.287 12.322 4.630 1.00 0.00 N ATOM 301 NH2 ARG A 23 1.605 13.643 3.899 1.00 0.00 N ATOM 0 H ARG A 23 2.139 13.997 10.646 1.00 0.00 H new ATOM 0 HA ARG A 23 2.870 16.562 9.805 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.360 14.244 8.551 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.591 15.737 7.664 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.998 15.550 7.753 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.939 14.330 9.010 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.389 13.451 6.636 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.093 12.652 7.504 1.00 0.00 H new ATOM 0 HE ARG A 23 1.801 14.721 6.139 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.947 12.056 5.361 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.281 11.821 3.741 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.950 14.409 4.058 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.598 13.142 3.010 1.00 0.00 H new ATOM 315 N ILE A 24 -0.410 16.071 9.925 1.00 0.00 N ATOM 316 CA ILE A 24 -1.682 16.770 10.026 1.00 0.00 C ATOM 317 C ILE A 24 -1.617 17.801 11.145 1.00 0.00 C ATOM 318 O ILE A 24 -1.859 18.987 10.924 1.00 0.00 O ATOM 319 CB ILE A 24 -2.812 15.777 10.305 1.00 0.00 C ATOM 320 CG1 ILE A 24 -2.733 14.624 9.301 1.00 0.00 C ATOM 321 CG2 ILE A 24 -4.160 16.486 10.165 1.00 0.00 C ATOM 322 CD1 ILE A 24 -3.958 13.720 9.459 1.00 0.00 C ATOM 0 H ILE A 24 -0.482 15.054 9.895 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.881 17.275 9.081 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.713 15.386 11.317 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.686 15.016 8.285 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.821 14.049 9.463 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.965 15.779 10.364 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.215 17.308 10.879 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.262 16.877 9.153 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.900 12.900 8.743 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.985 13.317 10.471 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.863 14.299 9.275 1.00 0.00 H new ATOM 334 N ALA A 25 -1.276 17.342 12.344 1.00 0.00 N ATOM 335 CA ALA A 25 -1.171 18.239 13.488 1.00 0.00 C ATOM 336 C ALA A 25 -0.409 19.498 13.095 1.00 0.00 C ATOM 337 O ALA A 25 -0.864 20.616 13.342 1.00 0.00 O ATOM 338 CB ALA A 25 -0.445 17.538 14.639 1.00 0.00 C ATOM 0 H ALA A 25 -1.069 16.364 12.548 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.175 18.514 13.812 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.371 18.216 15.489 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.002 16.648 14.932 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.556 17.250 14.317 1.00 0.00 H new ATOM 344 N GLN A 26 0.749 19.308 12.472 1.00 0.00 N ATOM 345 CA GLN A 26 1.564 20.433 12.036 1.00 0.00 C ATOM 346 C GLN A 26 0.849 21.203 10.932 1.00 0.00 C ATOM 347 O GLN A 26 1.136 22.377 10.696 1.00 0.00 O ATOM 348 CB GLN A 26 2.915 19.932 11.522 1.00 0.00 C ATOM 349 CG GLN A 26 3.776 19.480 12.703 1.00 0.00 C ATOM 350 CD GLN A 26 4.953 18.650 12.203 1.00 0.00 C ATOM 351 OE1 GLN A 26 5.429 18.857 11.086 1.00 0.00 O ATOM 352 NE2 GLN A 26 5.454 17.718 12.966 1.00 0.00 N ATOM 0 H GLN A 26 1.142 18.391 12.259 1.00 0.00 H new ATOM 0 HA GLN A 26 1.727 21.097 12.885 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.768 19.104 10.828 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.422 20.724 10.971 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.140 20.349 13.252 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.175 18.893 13.398 1.00 0.00 H new ATOM 0 HE21 GLN A 26 5.058 17.548 13.891 1.00 0.00 H new ATOM 0 HE22 GLN A 26 6.242 17.159 12.638 1.00 0.00 H new ATOM 361 N SER A 27 -0.086 20.536 10.261 1.00 0.00 N ATOM 362 CA SER A 27 -0.839 21.172 9.186 1.00 0.00 C ATOM 363 C SER A 27 -1.892 22.108 9.766 1.00 0.00 C ATOM 364 O SER A 27 -2.006 23.263 9.354 1.00 0.00 O ATOM 365 CB SER A 27 -1.515 20.109 8.318 1.00 0.00 C ATOM 366 OG SER A 27 -1.812 20.665 7.044 1.00 0.00 O ATOM 0 H SER A 27 -0.338 19.564 10.441 1.00 0.00 H new ATOM 0 HA SER A 27 -0.149 21.750 8.571 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.862 19.244 8.207 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.429 19.759 8.797 1.00 0.00 H new ATOM 0 HG SER A 27 -2.244 19.987 6.484 1.00 0.00 H new ATOM 372 N GLU A 28 -2.654 21.603 10.730 1.00 0.00 N ATOM 373 CA GLU A 28 -3.689 22.404 11.369 1.00 0.00 C ATOM 374 C GLU A 28 -3.053 23.497 12.218 1.00 0.00 C ATOM 375 O GLU A 28 -3.642 24.556 12.432 1.00 0.00 O ATOM 376 CB GLU A 28 -4.570 21.517 12.257 1.00 0.00 C ATOM 377 CG GLU A 28 -4.598 20.092 11.701 1.00 0.00 C ATOM 378 CD GLU A 28 -5.879 19.384 12.134 1.00 0.00 C ATOM 379 OE1 GLU A 28 -6.223 19.485 13.301 1.00 0.00 O ATOM 380 OE2 GLU A 28 -6.497 18.752 11.294 1.00 0.00 O ATOM 0 H GLU A 28 -2.575 20.649 11.083 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.304 22.861 10.594 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.185 21.512 13.277 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.582 21.920 12.300 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.537 20.117 10.613 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.729 19.538 12.056 1.00 0.00 H new ATOM 387 N ALA A 29 -1.848 23.224 12.705 1.00 0.00 N ATOM 388 CA ALA A 29 -1.140 24.187 13.537 1.00 0.00 C ATOM 389 C ALA A 29 -0.491 25.269 12.680 1.00 0.00 C ATOM 390 O ALA A 29 -0.465 26.440 13.059 1.00 0.00 O ATOM 391 CB ALA A 29 -0.065 23.472 14.360 1.00 0.00 C ATOM 0 H ALA A 29 -1.345 22.352 12.540 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.861 24.657 14.206 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.461 24.198 14.980 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.534 22.722 14.997 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.644 22.987 13.689 1.00 0.00 H new ATOM 397 N GLU A 30 0.036 24.872 11.526 1.00 0.00 N ATOM 398 CA GLU A 30 0.688 25.819 10.627 1.00 0.00 C ATOM 399 C GLU A 30 -0.344 26.591 9.808 1.00 0.00 C ATOM 400 O GLU A 30 -0.080 27.704 9.354 1.00 0.00 O ATOM 401 CB GLU A 30 1.633 25.075 9.681 1.00 0.00 C ATOM 402 CG GLU A 30 2.867 24.604 10.454 1.00 0.00 C ATOM 403 CD GLU A 30 3.787 25.785 10.742 1.00 0.00 C ATOM 404 OE1 GLU A 30 3.760 26.733 9.973 1.00 0.00 O ATOM 405 OE2 GLU A 30 4.504 25.726 11.727 1.00 0.00 O ATOM 0 H GLU A 30 0.025 23.908 11.193 1.00 0.00 H new ATOM 0 HA GLU A 30 1.255 26.526 11.232 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.121 24.221 9.237 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.932 25.728 8.861 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.562 24.134 11.389 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.401 23.849 9.877 1.00 0.00 H new ATOM 412 N LEU A 31 -1.517 25.994 9.621 1.00 0.00 N ATOM 413 CA LEU A 31 -2.577 26.638 8.851 1.00 0.00 C ATOM 414 C LEU A 31 -2.003 27.282 7.590 1.00 0.00 C ATOM 415 O LEU A 31 -1.990 28.507 7.457 1.00 0.00 O ATOM 416 CB LEU A 31 -3.273 27.702 9.713 1.00 0.00 C ATOM 417 CG LEU A 31 -4.448 27.071 10.475 1.00 0.00 C ATOM 418 CD1 LEU A 31 -4.720 27.870 11.752 1.00 0.00 C ATOM 419 CD2 LEU A 31 -5.700 27.085 9.593 1.00 0.00 C ATOM 0 H LEU A 31 -1.757 25.073 9.988 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.305 25.883 8.556 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.562 28.134 10.417 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.632 28.515 9.083 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.197 26.043 10.735 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.554 27.421 12.291 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.832 27.860 12.384 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.968 28.899 11.491 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.532 26.637 10.136 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.949 28.113 9.331 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.511 26.515 8.684 1.00 0.00 H new ATOM 450 N SER A 33 -2.003 25.152 4.160 1.00 0.00 N ATOM 451 CA SER A 33 -2.782 24.571 3.072 1.00 0.00 C ATOM 452 C SER A 33 -4.270 24.826 3.285 1.00 0.00 C ATOM 453 O SER A 33 -5.103 23.956 3.022 1.00 0.00 O ATOM 454 CB SER A 33 -2.525 23.065 2.992 1.00 0.00 C ATOM 455 OG SER A 33 -1.127 22.822 3.087 1.00 0.00 O ATOM 0 HA SER A 33 -2.475 25.041 2.138 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.051 22.551 3.797 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.912 22.668 2.054 1.00 0.00 H new ATOM 0 HG SER A 33 -0.690 23.587 3.516 1.00 0.00 H new ATOM 461 N ASP A 34 -4.597 26.022 3.762 1.00 0.00 N ATOM 462 CA ASP A 34 -5.990 26.382 4.008 1.00 0.00 C ATOM 463 C ASP A 34 -6.868 25.959 2.835 1.00 0.00 C ATOM 464 O ASP A 34 -8.085 25.829 2.974 1.00 0.00 O ATOM 465 CB ASP A 34 -6.108 27.894 4.218 1.00 0.00 C ATOM 466 CG ASP A 34 -7.459 28.230 4.839 1.00 0.00 C ATOM 467 OD1 ASP A 34 -8.464 27.825 4.279 1.00 0.00 O ATOM 468 OD2 ASP A 34 -7.469 28.888 5.866 1.00 0.00 O ATOM 0 H ASP A 34 -3.923 26.754 3.985 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.328 25.863 4.905 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.304 28.243 4.866 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.998 28.412 3.265 1.00 0.00 H new ATOM 473 N GLU A 35 -6.244 25.742 1.682 1.00 0.00 N ATOM 474 CA GLU A 35 -6.980 25.332 0.492 1.00 0.00 C ATOM 475 C GLU A 35 -7.675 23.995 0.727 1.00 0.00 C ATOM 476 O GLU A 35 -8.852 23.830 0.408 1.00 0.00 O ATOM 477 CB GLU A 35 -6.025 25.213 -0.697 1.00 0.00 C ATOM 478 CG GLU A 35 -6.794 24.713 -1.922 1.00 0.00 C ATOM 479 CD GLU A 35 -5.971 24.948 -3.185 1.00 0.00 C ATOM 480 OE1 GLU A 35 -4.813 25.308 -3.055 1.00 0.00 O ATOM 481 OE2 GLU A 35 -6.511 24.763 -4.263 1.00 0.00 O ATOM 0 H GLU A 35 -5.238 25.842 1.547 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.735 26.087 0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.570 26.180 -0.910 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.214 24.525 -0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.015 23.651 -1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.750 25.232 -1.999 1.00 0.00 H new ATOM 488 N ALA A 36 -6.937 23.043 1.289 1.00 0.00 N ATOM 489 CA ALA A 36 -7.491 21.722 1.565 1.00 0.00 C ATOM 490 C ALA A 36 -8.672 21.827 2.525 1.00 0.00 C ATOM 491 O ALA A 36 -9.743 21.279 2.268 1.00 0.00 O ATOM 492 CB ALA A 36 -6.416 20.821 2.174 1.00 0.00 C ATOM 0 H ALA A 36 -5.961 23.160 1.561 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.837 21.290 0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.838 19.837 2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.585 20.722 1.475 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.057 21.261 3.105 1.00 0.00 H new ATOM 498 N GLN A 37 -8.468 22.536 3.630 1.00 0.00 N ATOM 499 CA GLN A 37 -9.524 22.706 4.622 1.00 0.00 C ATOM 500 C GLN A 37 -10.784 23.269 3.972 1.00 0.00 C ATOM 501 O GLN A 37 -11.886 22.771 4.201 1.00 0.00 O ATOM 502 CB GLN A 37 -9.054 23.651 5.730 1.00 0.00 C ATOM 503 CG GLN A 37 -7.792 23.084 6.383 1.00 0.00 C ATOM 504 CD GLN A 37 -8.151 21.896 7.268 1.00 0.00 C ATOM 505 OE1 GLN A 37 -8.929 22.036 8.212 1.00 0.00 O ATOM 506 NE2 GLN A 37 -7.629 20.727 7.018 1.00 0.00 N ATOM 0 H GLN A 37 -7.589 22.999 3.861 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.754 21.730 5.050 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.850 24.639 5.318 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.839 23.773 6.476 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.083 22.775 5.615 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.302 23.855 6.977 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -6.985 20.613 6.236 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.865 19.927 7.605 1.00 0.00 H new ATOM 515 N ALA A 38 -10.613 24.307 3.161 1.00 0.00 N ATOM 516 CA ALA A 38 -11.745 24.928 2.483 1.00 0.00 C ATOM 517 C ALA A 38 -12.485 23.899 1.635 1.00 0.00 C ATOM 518 O ALA A 38 -13.680 23.671 1.821 1.00 0.00 O ATOM 519 CB ALA A 38 -11.257 26.074 1.594 1.00 0.00 C ATOM 0 H ALA A 38 -9.709 24.734 2.958 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.428 25.322 3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.109 26.532 1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.753 26.821 2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.562 25.686 0.849 1.00 0.00 H new ATOM 525 N ASP A 39 -11.766 23.278 0.707 1.00 0.00 N ATOM 526 CA ASP A 39 -12.364 22.272 -0.163 1.00 0.00 C ATOM 527 C ASP A 39 -13.170 21.268 0.656 1.00 0.00 C ATOM 528 O ASP A 39 -14.347 21.035 0.386 1.00 0.00 O ATOM 529 CB ASP A 39 -11.271 21.539 -0.943 1.00 0.00 C ATOM 530 CG ASP A 39 -10.684 22.459 -2.007 1.00 0.00 C ATOM 531 OD1 ASP A 39 -9.999 23.399 -1.637 1.00 0.00 O ATOM 532 OD2 ASP A 39 -10.926 22.211 -3.176 1.00 0.00 O ATOM 0 H ASP A 39 -10.775 23.452 0.538 1.00 0.00 H new ATOM 0 HA ASP A 39 -13.033 22.774 -0.862 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.486 21.209 -0.262 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -11.684 20.645 -1.411 1.00 0.00 H new ATOM 537 N LEU A 40 -12.525 20.679 1.659 1.00 0.00 N ATOM 538 CA LEU A 40 -13.193 19.702 2.512 1.00 0.00 C ATOM 539 C LEU A 40 -14.455 20.302 3.122 1.00 0.00 C ATOM 540 O LEU A 40 -15.505 19.661 3.158 1.00 0.00 O ATOM 541 CB LEU A 40 -12.246 19.252 3.629 1.00 0.00 C ATOM 542 CG LEU A 40 -11.067 18.473 3.031 1.00 0.00 C ATOM 543 CD1 LEU A 40 -9.860 18.570 3.967 1.00 0.00 C ATOM 544 CD2 LEU A 40 -11.452 16.999 2.858 1.00 0.00 C ATOM 0 H LEU A 40 -11.550 20.859 1.899 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.471 18.842 1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.879 20.119 4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -12.782 18.626 4.342 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.815 18.900 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.024 18.016 3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.578 19.616 4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.118 18.147 4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.611 16.451 2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.709 16.574 3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.310 16.923 2.190 1.00 0.00 H new ATOM 556 N ALA A 41 -14.345 21.537 3.602 1.00 0.00 N ATOM 557 CA ALA A 41 -15.484 22.214 4.209 1.00 0.00 C ATOM 558 C ALA A 41 -16.647 22.294 3.226 1.00 0.00 C ATOM 559 O ALA A 41 -17.773 21.916 3.551 1.00 0.00 O ATOM 560 CB ALA A 41 -15.082 23.627 4.640 1.00 0.00 C ATOM 0 H ALA A 41 -13.485 22.085 3.583 1.00 0.00 H new ATOM 0 HA ALA A 41 -15.799 21.642 5.082 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -15.938 24.127 5.093 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -14.270 23.569 5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.751 24.193 3.769 1.00 0.00 H new ATOM 566 N LEU A 42 -16.367 22.786 2.024 1.00 0.00 N ATOM 567 CA LEU A 42 -17.399 22.911 1.001 1.00 0.00 C ATOM 568 C LEU A 42 -17.894 21.534 0.569 1.00 0.00 C ATOM 569 O LEU A 42 -19.086 21.337 0.338 1.00 0.00 O ATOM 570 CB LEU A 42 -16.844 23.660 -0.213 1.00 0.00 C ATOM 571 CG LEU A 42 -16.239 24.994 0.235 1.00 0.00 C ATOM 572 CD1 LEU A 42 -15.445 25.607 -0.920 1.00 0.00 C ATOM 573 CD2 LEU A 42 -17.358 25.957 0.652 1.00 0.00 C ATOM 0 H LEU A 42 -15.441 23.103 1.735 1.00 0.00 H new ATOM 0 HA LEU A 42 -18.235 23.470 1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -16.086 23.055 -0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -17.638 23.835 -0.938 1.00 0.00 H new ATOM 0 HG LEU A 42 -15.577 24.822 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.014 26.556 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.646 24.926 -1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -16.108 25.776 -1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -16.923 26.904 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -18.024 26.129 -0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -17.923 25.523 1.476 1.00 0.00 H new ATOM 585 N ARG A 43 -16.969 20.585 0.464 1.00 0.00 N ATOM 586 CA ARG A 43 -17.323 19.229 0.060 1.00 0.00 C ATOM 587 C ARG A 43 -18.101 18.527 1.170 1.00 0.00 C ATOM 588 O ARG A 43 -18.871 17.602 0.912 1.00 0.00 O ATOM 589 CB ARG A 43 -16.057 18.433 -0.263 1.00 0.00 C ATOM 590 CG ARG A 43 -16.427 16.974 -0.545 1.00 0.00 C ATOM 591 CD ARG A 43 -15.257 16.273 -1.238 1.00 0.00 C ATOM 592 NE ARG A 43 -15.204 16.655 -2.646 1.00 0.00 N ATOM 593 CZ ARG A 43 -15.958 16.043 -3.554 1.00 0.00 C ATOM 594 NH1 ARG A 43 -16.763 15.081 -3.192 1.00 0.00 N ATOM 595 NH2 ARG A 43 -15.894 16.403 -4.806 1.00 0.00 N ATOM 0 H ARG A 43 -15.977 20.728 0.651 1.00 0.00 H new ATOM 0 HA ARG A 43 -17.951 19.286 -0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -15.554 18.865 -1.128 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -15.358 18.487 0.572 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -16.670 16.463 0.387 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -17.316 16.929 -1.174 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -14.321 16.538 -0.746 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -15.368 15.192 -1.151 1.00 0.00 H new ATOM 0 HE ARG A 43 -14.577 17.405 -2.938 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -16.813 14.799 -2.213 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -17.342 14.611 -3.888 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -15.265 17.155 -5.089 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -16.473 15.933 -5.502 1.00 0.00 H new ATOM 609 N ARG A 44 -17.895 18.974 2.404 1.00 0.00 N ATOM 610 CA ARG A 44 -18.580 18.386 3.545 1.00 0.00 C ATOM 611 C ARG A 44 -20.000 18.934 3.653 1.00 0.00 C ATOM 612 O ARG A 44 -20.891 18.276 4.191 1.00 0.00 O ATOM 613 CB ARG A 44 -17.799 18.695 4.827 1.00 0.00 C ATOM 614 CG ARG A 44 -18.691 18.452 6.046 1.00 0.00 C ATOM 615 CD ARG A 44 -17.825 18.343 7.302 1.00 0.00 C ATOM 616 NE ARG A 44 -18.664 18.342 8.495 1.00 0.00 N ATOM 617 CZ ARG A 44 -18.162 18.041 9.688 1.00 0.00 C ATOM 618 NH1 ARG A 44 -16.898 17.738 9.806 1.00 0.00 N ATOM 619 NH2 ARG A 44 -18.932 18.048 10.741 1.00 0.00 N ATOM 0 H ARG A 44 -17.261 19.739 2.637 1.00 0.00 H new ATOM 0 HA ARG A 44 -18.636 17.306 3.407 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -16.911 18.066 4.883 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -17.457 19.730 4.815 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -19.406 19.268 6.155 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -19.269 17.538 5.910 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -17.232 17.429 7.265 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -17.124 19.177 7.342 1.00 0.00 H new ATOM 0 HE ARG A 44 -19.653 18.576 8.412 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.296 17.732 8.983 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -16.512 17.507 10.722 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -19.920 18.285 10.649 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.546 17.817 11.656 1.00 0.00 H new ATOM 633 N SER A 45 -20.204 20.142 3.138 1.00 0.00 N ATOM 634 CA SER A 45 -21.519 20.770 3.182 1.00 0.00 C ATOM 635 C SER A 45 -22.472 20.082 2.210 1.00 0.00 C ATOM 636 O SER A 45 -22.447 20.348 1.009 1.00 0.00 O ATOM 637 CB SER A 45 -21.404 22.251 2.823 1.00 0.00 C ATOM 638 OG SER A 45 -22.651 22.890 3.059 1.00 0.00 O ATOM 0 H SER A 45 -19.480 20.703 2.688 1.00 0.00 H new ATOM 0 HA SER A 45 -21.914 20.672 4.193 1.00 0.00 H new ATOM 0 HB2 SER A 45 -20.623 22.722 3.419 1.00 0.00 H new ATOM 0 HB3 SER A 45 -21.118 22.362 1.777 1.00 0.00 H new ATOM 0 HG SER A 45 -22.580 23.840 2.831 1.00 0.00 H new ATOM 644 N LEU A 46 -23.311 19.198 2.738 1.00 0.00 N ATOM 645 CA LEU A 46 -24.269 18.477 1.908 1.00 0.00 C ATOM 646 C LEU A 46 -25.356 19.422 1.402 1.00 0.00 C ATOM 647 O LEU A 46 -25.976 19.172 0.368 1.00 0.00 O ATOM 648 CB LEU A 46 -24.910 17.342 2.714 1.00 0.00 C ATOM 649 CG LEU A 46 -25.588 16.347 1.762 1.00 0.00 C ATOM 650 CD1 LEU A 46 -24.577 15.288 1.312 1.00 0.00 C ATOM 651 CD2 LEU A 46 -26.750 15.658 2.485 1.00 0.00 C ATOM 0 H LEU A 46 -23.348 18.964 3.730 1.00 0.00 H new ATOM 0 HA LEU A 46 -23.739 18.059 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -24.152 16.832 3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -25.642 17.748 3.412 1.00 0.00 H new ATOM 0 HG LEU A 46 -25.963 16.885 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -25.063 14.584 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -23.748 15.772 0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -24.199 14.753 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -27.231 14.951 1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -26.371 15.125 3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -27.475 16.407 2.804 1.00 0.00 H new ATOM 663 N ASP A 47 -25.581 20.506 2.138 1.00 0.00 N ATOM 664 CA ASP A 47 -26.595 21.481 1.754 1.00 0.00 C ATOM 665 C ASP A 47 -26.110 22.325 0.580 1.00 0.00 C ATOM 666 O ASP A 47 -26.564 23.454 0.386 1.00 0.00 O ATOM 667 CB ASP A 47 -26.919 22.391 2.941 1.00 0.00 C ATOM 668 CG ASP A 47 -28.150 23.236 2.629 1.00 0.00 C ATOM 669 OD1 ASP A 47 -29.243 22.700 2.692 1.00 0.00 O ATOM 670 OD2 ASP A 47 -27.980 24.407 2.330 1.00 0.00 O ATOM 0 H ASP A 47 -25.079 20.730 2.997 1.00 0.00 H new ATOM 0 HA ASP A 47 -27.494 20.943 1.452 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -27.097 21.790 3.833 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -26.069 23.038 3.157 1.00 0.00 H new ATOM 675 N SER A 48 -25.188 21.773 -0.201 1.00 0.00 N ATOM 676 CA SER A 48 -24.651 22.486 -1.354 1.00 0.00 C ATOM 677 C SER A 48 -25.750 22.759 -2.375 1.00 0.00 C ATOM 678 O SER A 48 -26.453 23.766 -2.291 1.00 0.00 O ATOM 679 CB SER A 48 -23.538 21.663 -2.005 1.00 0.00 C ATOM 680 OG SER A 48 -23.295 22.157 -3.316 1.00 0.00 O ATOM 0 H SER A 48 -24.799 20.841 -0.058 1.00 0.00 H new ATOM 0 HA SER A 48 -24.245 23.438 -1.012 1.00 0.00 H new ATOM 0 HB2 SER A 48 -22.629 21.722 -1.407 1.00 0.00 H new ATOM 0 HB3 SER A 48 -23.824 20.612 -2.047 1.00 0.00 H new ATOM 0 HG SER A 48 -22.581 21.633 -3.736 1.00 0.00 H new ATOM 894 N THR A 62 -46.294 20.346 -25.262 1.00 0.00 N ATOM 895 CA THR A 62 -46.727 20.385 -26.655 1.00 0.00 C ATOM 896 C THR A 62 -46.612 21.806 -27.206 1.00 0.00 C ATOM 897 O THR A 62 -46.736 22.778 -26.460 1.00 0.00 O ATOM 898 CB THR A 62 -48.178 19.907 -26.761 1.00 0.00 C ATOM 899 OG1 THR A 62 -48.939 20.477 -25.706 1.00 0.00 O ATOM 900 CG2 THR A 62 -48.226 18.381 -26.660 1.00 0.00 C ATOM 0 HA THR A 62 -46.085 19.726 -27.240 1.00 0.00 H new ATOM 0 HB THR A 62 -48.593 20.217 -27.720 1.00 0.00 H new ATOM 0 HG1 THR A 62 -48.376 20.569 -24.909 1.00 0.00 H new ATOM 0 HG21 THR A 62 -49.260 18.044 -26.736 1.00 0.00 H new ATOM 0 HG22 THR A 62 -47.642 17.944 -27.470 1.00 0.00 H new ATOM 0 HG23 THR A 62 -47.811 18.067 -25.702 1.00 0.00 H new ATOM 908 N PRO A 63 -46.380 21.947 -28.488 1.00 0.00 N ATOM 909 CA PRO A 63 -46.251 23.279 -29.138 1.00 0.00 C ATOM 910 C PRO A 63 -47.218 24.307 -28.553 1.00 0.00 C ATOM 911 O PRO A 63 -46.862 25.469 -28.361 1.00 0.00 O ATOM 912 CB PRO A 63 -46.579 22.981 -30.600 1.00 0.00 C ATOM 913 CG PRO A 63 -46.140 21.568 -30.821 1.00 0.00 C ATOM 914 CD PRO A 63 -46.215 20.855 -29.463 1.00 0.00 C ATOM 0 HA PRO A 63 -45.265 23.720 -28.993 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -47.645 23.097 -30.796 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -46.056 23.665 -31.268 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -46.782 21.075 -31.551 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -45.125 21.537 -31.217 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -47.052 20.158 -29.425 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -45.311 20.279 -29.266 1.00 0.00 H new ATOM 922 N GLU A 64 -48.441 23.869 -28.273 1.00 0.00 N ATOM 923 CA GLU A 64 -49.450 24.760 -27.712 1.00 0.00 C ATOM 924 C GLU A 64 -49.063 25.190 -26.300 1.00 0.00 C ATOM 925 O GLU A 64 -49.177 26.363 -25.946 1.00 0.00 O ATOM 926 CB GLU A 64 -50.808 24.055 -27.677 1.00 0.00 C ATOM 927 CG GLU A 64 -51.890 25.051 -27.258 1.00 0.00 C ATOM 928 CD GLU A 64 -53.267 24.407 -27.376 1.00 0.00 C ATOM 929 OE1 GLU A 64 -53.322 23.197 -27.529 1.00 0.00 O ATOM 930 OE2 GLU A 64 -54.246 25.131 -27.312 1.00 0.00 O ATOM 0 H GLU A 64 -48.756 22.911 -28.424 1.00 0.00 H new ATOM 0 HA GLU A 64 -49.515 25.646 -28.344 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -51.040 23.641 -28.658 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -50.778 23.219 -26.978 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -51.719 25.376 -26.232 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -51.840 25.940 -27.887 1.00 0.00 H new ATOM 937 N GLN A 65 -48.609 24.233 -25.499 1.00 0.00 N ATOM 938 CA GLN A 65 -48.210 24.525 -24.127 1.00 0.00 C ATOM 939 C GLN A 65 -47.090 25.561 -24.099 1.00 0.00 C ATOM 940 O GLN A 65 -47.270 26.668 -23.591 1.00 0.00 O ATOM 941 CB GLN A 65 -47.738 23.244 -23.436 1.00 0.00 C ATOM 942 CG GLN A 65 -48.946 22.361 -23.117 1.00 0.00 C ATOM 943 CD GLN A 65 -48.496 21.119 -22.355 1.00 0.00 C ATOM 944 OE1 GLN A 65 -47.504 21.206 -21.512 1.00 0.00 O flip ATOM 945 NE2 GLN A 65 -49.062 20.041 -22.534 1.00 0.00 N flip ATOM 0 H GLN A 65 -48.508 23.256 -25.773 1.00 0.00 H new ATOM 0 HA GLN A 65 -49.074 24.928 -23.598 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -47.041 22.707 -24.079 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -47.201 23.489 -22.520 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -49.669 22.920 -22.523 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -49.448 22.070 -24.040 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -49.837 19.975 -23.194 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -48.756 19.213 -22.023 1.00 0.00 H new ATOM 954 N MET A 66 -45.936 25.195 -24.647 1.00 0.00 N ATOM 955 CA MET A 66 -44.795 26.102 -24.677 1.00 0.00 C ATOM 956 C MET A 66 -45.177 27.426 -25.331 1.00 0.00 C ATOM 957 O MET A 66 -44.783 28.495 -24.866 1.00 0.00 O ATOM 958 CB MET A 66 -43.636 25.461 -25.446 1.00 0.00 C ATOM 959 CG MET A 66 -44.072 25.154 -26.883 1.00 0.00 C ATOM 960 SD MET A 66 -43.780 26.604 -27.926 1.00 0.00 S ATOM 961 CE MET A 66 -42.080 26.203 -28.398 1.00 0.00 C ATOM 0 H MET A 66 -45.767 24.284 -25.073 1.00 0.00 H new ATOM 0 HA MET A 66 -44.483 26.297 -23.651 1.00 0.00 H new ATOM 0 HB2 MET A 66 -42.777 26.132 -25.453 1.00 0.00 H new ATOM 0 HB3 MET A 66 -43.321 24.544 -24.948 1.00 0.00 H new ATOM 0 HG2 MET A 66 -43.517 24.298 -27.268 1.00 0.00 H new ATOM 0 HG3 MET A 66 -45.128 24.884 -26.904 1.00 0.00 H new ATOM 0 HE1 MET A 66 -41.692 26.981 -29.056 1.00 0.00 H new ATOM 0 HE2 MET A 66 -41.459 26.141 -27.504 1.00 0.00 H new ATOM 0 HE3 MET A 66 -42.063 25.245 -28.919 1.00 0.00 H new ATOM 971 N ALA A 67 -45.949 27.349 -26.411 1.00 0.00 N ATOM 972 CA ALA A 67 -46.377 28.551 -27.117 1.00 0.00 C ATOM 973 C ALA A 67 -47.183 29.457 -26.191 1.00 0.00 C ATOM 974 O ALA A 67 -46.958 30.666 -26.141 1.00 0.00 O ATOM 975 CB ALA A 67 -47.229 28.172 -28.329 1.00 0.00 C ATOM 0 H ALA A 67 -46.288 26.475 -26.813 1.00 0.00 H new ATOM 0 HA ALA A 67 -45.489 29.087 -27.452 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -47.544 29.076 -28.850 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -46.643 27.549 -29.005 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -48.108 27.620 -27.997 1.00 0.00 H new ATOM 981 N LYS A 68 -48.121 28.864 -25.461 1.00 0.00 N ATOM 982 CA LYS A 68 -48.956 29.628 -24.541 1.00 0.00 C ATOM 983 C LYS A 68 -48.108 30.240 -23.431 1.00 0.00 C ATOM 984 O LYS A 68 -48.321 31.385 -23.032 1.00 0.00 O ATOM 985 CB LYS A 68 -50.024 28.721 -23.926 1.00 0.00 C ATOM 986 CG LYS A 68 -50.931 29.548 -23.012 1.00 0.00 C ATOM 987 CD LYS A 68 -52.115 28.692 -22.553 1.00 0.00 C ATOM 988 CE LYS A 68 -53.179 29.590 -21.919 1.00 0.00 C ATOM 989 NZ LYS A 68 -52.594 30.309 -20.752 1.00 0.00 N ATOM 0 H LYS A 68 -48.322 27.864 -25.487 1.00 0.00 H new ATOM 0 HA LYS A 68 -49.439 30.430 -25.100 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -50.614 28.251 -24.713 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -49.552 27.919 -23.359 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -50.368 29.902 -22.148 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -51.291 30.430 -23.541 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -52.537 28.152 -23.401 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -51.780 27.944 -21.834 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -53.549 30.306 -22.652 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -54.032 28.991 -21.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -53.359 30.699 -20.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -52.026 29.647 -20.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -51.988 31.083 -21.090 1.00 0.00 H new ATOM 1003 N GLU A 69 -47.144 29.470 -22.936 1.00 0.00 N ATOM 1004 CA GLU A 69 -46.269 29.947 -21.872 1.00 0.00 C ATOM 1005 C GLU A 69 -45.486 31.172 -22.332 1.00 0.00 C ATOM 1006 O GLU A 69 -45.523 32.222 -21.688 1.00 0.00 O ATOM 1007 CB GLU A 69 -45.296 28.842 -21.460 1.00 0.00 C ATOM 1008 CG GLU A 69 -46.061 27.726 -20.747 1.00 0.00 C ATOM 1009 CD GLU A 69 -46.517 28.202 -19.372 1.00 0.00 C ATOM 1010 OE1 GLU A 69 -45.690 28.240 -18.475 1.00 0.00 O ATOM 1011 OE2 GLU A 69 -47.686 28.524 -19.237 1.00 0.00 O ATOM 0 H GLU A 69 -46.950 28.520 -23.252 1.00 0.00 H new ATOM 0 HA GLU A 69 -46.886 30.224 -21.017 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -44.788 28.445 -22.339 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -44.527 29.247 -20.803 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -46.924 27.428 -21.342 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -45.425 26.846 -20.644 1.00 0.00 H new ATOM 1018 N MET A 70 -44.780 31.033 -23.449 1.00 0.00 N ATOM 1019 CA MET A 70 -43.993 32.137 -23.985 1.00 0.00 C ATOM 1020 C MET A 70 -44.873 33.361 -24.212 1.00 0.00 C ATOM 1021 O MET A 70 -44.555 34.459 -23.755 1.00 0.00 O ATOM 1022 CB MET A 70 -43.344 31.722 -25.307 1.00 0.00 C ATOM 1023 CG MET A 70 -42.319 30.616 -25.047 1.00 0.00 C ATOM 1024 SD MET A 70 -41.521 30.155 -26.605 1.00 0.00 S ATOM 1025 CE MET A 70 -40.129 31.307 -26.497 1.00 0.00 C ATOM 0 H MET A 70 -44.736 30.174 -23.997 1.00 0.00 H new ATOM 0 HA MET A 70 -43.217 32.390 -23.262 1.00 0.00 H new ATOM 0 HB2 MET A 70 -44.105 31.371 -26.004 1.00 0.00 H new ATOM 0 HB3 MET A 70 -42.859 32.580 -25.771 1.00 0.00 H new ATOM 0 HG2 MET A 70 -41.572 30.959 -24.331 1.00 0.00 H new ATOM 0 HG3 MET A 70 -42.809 29.748 -24.606 1.00 0.00 H new ATOM 0 HE1 MET A 70 -39.493 31.192 -27.374 1.00 0.00 H new ATOM 0 HE2 MET A 70 -40.505 32.329 -26.453 1.00 0.00 H new ATOM 0 HE3 MET A 70 -39.550 31.095 -25.598 1.00 0.00 H new ATOM 1035 N SER A 71 -45.982 33.165 -24.918 1.00 0.00 N ATOM 1036 CA SER A 71 -46.901 34.261 -25.198 1.00 0.00 C ATOM 1037 C SER A 71 -47.445 34.850 -23.900 1.00 0.00 C ATOM 1038 O SER A 71 -47.637 36.060 -23.788 1.00 0.00 O ATOM 1039 CB SER A 71 -48.062 33.762 -26.059 1.00 0.00 C ATOM 1040 OG SER A 71 -48.908 32.935 -25.272 1.00 0.00 O ATOM 0 H SER A 71 -46.264 32.264 -25.304 1.00 0.00 H new ATOM 0 HA SER A 71 -46.357 35.037 -25.736 1.00 0.00 H new ATOM 0 HB2 SER A 71 -48.626 34.607 -26.455 1.00 0.00 H new ATOM 0 HB3 SER A 71 -47.682 33.204 -26.914 1.00 0.00 H new ATOM 0 HG SER A 71 -48.365 32.415 -24.644 1.00 0.00 H new ATOM 1046 N GLU A 72 -47.692 33.984 -22.922 1.00 0.00 N ATOM 1047 CA GLU A 72 -48.216 34.429 -21.635 1.00 0.00 C ATOM 1048 C GLU A 72 -47.131 35.136 -20.828 1.00 0.00 C ATOM 1049 O GLU A 72 -47.421 36.020 -20.023 1.00 0.00 O ATOM 1050 CB GLU A 72 -48.743 33.230 -20.844 1.00 0.00 C ATOM 1051 CG GLU A 72 -49.387 33.718 -19.544 1.00 0.00 C ATOM 1052 CD GLU A 72 -50.003 32.542 -18.795 1.00 0.00 C ATOM 1053 OE1 GLU A 72 -49.279 31.885 -18.064 1.00 0.00 O ATOM 1054 OE2 GLU A 72 -51.190 32.315 -18.962 1.00 0.00 O ATOM 0 H GLU A 72 -47.539 32.978 -22.994 1.00 0.00 H new ATOM 0 HA GLU A 72 -49.030 35.130 -21.819 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -49.472 32.680 -21.439 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -47.928 32.541 -20.622 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -48.639 34.207 -18.919 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -50.153 34.461 -19.765 1.00 0.00 H new ATOM 1061 N PHE A 73 -45.883 34.738 -21.048 1.00 0.00 N ATOM 1062 CA PHE A 73 -44.763 35.341 -20.332 1.00 0.00 C ATOM 1063 C PHE A 73 -44.373 36.674 -20.965 1.00 0.00 C ATOM 1064 O PHE A 73 -44.514 37.729 -20.347 1.00 0.00 O ATOM 1065 CB PHE A 73 -43.561 34.395 -20.352 1.00 0.00 C ATOM 1066 CG PHE A 73 -42.496 34.915 -19.417 1.00 0.00 C ATOM 1067 CD1 PHE A 73 -42.491 34.522 -18.074 1.00 0.00 C ATOM 1068 CD2 PHE A 73 -41.514 35.791 -19.893 1.00 0.00 C ATOM 1069 CE1 PHE A 73 -41.504 35.005 -17.206 1.00 0.00 C ATOM 1070 CE2 PHE A 73 -40.527 36.275 -19.027 1.00 0.00 C ATOM 1071 CZ PHE A 73 -40.522 35.882 -17.683 1.00 0.00 C ATOM 0 H PHE A 73 -45.622 34.007 -21.710 1.00 0.00 H new ATOM 0 HA PHE A 73 -45.070 35.519 -19.301 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -43.868 33.394 -20.050 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -43.164 34.315 -21.364 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -43.249 33.846 -17.707 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -41.518 36.094 -20.930 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -41.500 34.701 -16.170 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -39.770 36.951 -19.395 1.00 0.00 H new ATOM 0 HZ PHE A 73 -39.761 36.255 -17.014 1.00 0.00 H new ATOM 1081 N LEU A 74 -43.884 36.617 -22.199 1.00 0.00 N ATOM 1082 CA LEU A 74 -43.476 37.827 -22.904 1.00 0.00 C ATOM 1083 C LEU A 74 -44.560 38.896 -22.802 1.00 0.00 C ATOM 1084 O LEU A 74 -44.264 40.082 -22.652 1.00 0.00 O ATOM 1085 CB LEU A 74 -43.206 37.510 -24.377 1.00 0.00 C ATOM 1086 CG LEU A 74 -42.183 36.375 -24.485 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -42.127 35.876 -25.930 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -40.797 36.883 -24.068 1.00 0.00 C ATOM 0 H LEU A 74 -43.761 35.754 -22.728 1.00 0.00 H new ATOM 0 HA LEU A 74 -42.564 38.204 -22.442 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -44.134 37.224 -24.873 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -42.833 38.398 -24.887 1.00 0.00 H new ATOM 0 HG LEU A 74 -42.481 35.559 -23.826 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -41.399 35.068 -26.008 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -43.110 35.509 -26.227 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -41.832 36.695 -26.586 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -40.073 36.072 -24.147 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -40.497 37.701 -24.723 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -40.834 37.237 -23.038 1.00 0.00 H new