USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 542 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 Single : A 1 MET CE :methyl 153:sc= 0 (180deg=-0.215) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.32 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0328 USER MOD Single : A 7 TYR OH : rot 180:sc= 0.263 USER MOD Single : A 13 SER OG : rot 109:sc= 1.25 USER MOD Single : A 14 CYS SG : rot 180:sc= 0.0173 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0664 X(o=-0.066,f=-0.059) USER MOD Single : A 17 CYS SG : rot 178:sc= 0.237 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.31) USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= 1.11 (180deg=1.08) USER MOD Single : A 32 THR OG1 : rot 180:sc=-0.00812 USER MOD Single : A 37 ASN : amide:sc= -0.107 K(o=-0.11,f=-1.6!) USER MOD Single : A 41 SER OG : rot 180:sc= -0.23 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 80:sc= 0.0636 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0015 X(o=-0.0015,f=-0.0043) USER MOD Single : A 53 GLN : amide:sc= -1.44 K(o=-1.4,f=-3.4!) USER MOD Single : A 56 GLN : amide:sc= -0.371 K(o=-0.37,f=-5.6!) USER MOD Single : A 62 HIS : no HE2:sc= -0.132 K(o=-0.13,f=-2.5) USER MOD Single : A 64 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00487) USER MOD Single : A 69 LYS NZ :NH3+ 169:sc=-0.00629 (180deg=-0.137) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.205 -13.505 -8.597 1.00 5.86 N ATOM 2 CA MET A 1 -12.056 -13.580 -7.134 1.00 5.96 C ATOM 3 C MET A 1 -11.229 -12.365 -6.727 1.00 5.35 C ATOM 4 O MET A 1 -10.644 -11.756 -7.619 1.00 5.33 O ATOM 5 CB MET A 1 -11.370 -14.895 -6.734 1.00 7.52 C ATOM 6 CG MET A 1 -12.323 -16.046 -6.379 1.00 8.29 C ATOM 7 SD MET A 1 -12.498 -16.412 -4.610 1.00 9.79 S ATOM 8 CE MET A 1 -13.475 -15.008 -4.038 1.00 9.76 C ATOM 0 H1 MET A 1 -13.205 -13.347 -8.836 1.00 5.86 H new ATOM 0 H2 MET A 1 -11.632 -12.719 -8.964 1.00 5.86 H new ATOM 0 H3 MET A 1 -11.884 -14.397 -9.025 1.00 5.86 H new ATOM 0 HA MET A 1 -13.021 -13.571 -6.627 1.00 5.96 H new ATOM 0 HB2 MET A 1 -10.728 -15.216 -7.554 1.00 7.52 H new ATOM 0 HB3 MET A 1 -10.722 -14.703 -5.878 1.00 7.52 H new ATOM 0 HG2 MET A 1 -13.309 -15.813 -6.781 1.00 8.29 H new ATOM 0 HG3 MET A 1 -11.977 -16.948 -6.884 1.00 8.29 H new ATOM 0 HE1 MET A 1 -14.051 -15.299 -3.159 1.00 9.76 H new ATOM 0 HE2 MET A 1 -12.811 -14.184 -3.779 1.00 9.76 H new ATOM 0 HE3 MET A 1 -14.155 -14.692 -4.829 1.00 9.76 H new ATOM 20 N ALA A 2 -11.233 -12.010 -5.434 1.00 5.51 N ATOM 21 CA ALA A 2 -10.520 -10.879 -4.840 1.00 5.39 C ATOM 22 C ALA A 2 -10.328 -9.707 -5.807 1.00 3.64 C ATOM 23 O ALA A 2 -9.208 -9.371 -6.189 1.00 4.37 O ATOM 24 CB ALA A 2 -9.208 -11.362 -4.217 1.00 7.10 C ATOM 0 H ALA A 2 -11.764 -12.536 -4.740 1.00 5.51 H new ATOM 0 HA ALA A 2 -11.144 -10.471 -4.045 1.00 5.39 H new ATOM 0 HB1 ALA A 2 -8.681 -10.516 -3.776 1.00 7.10 H new ATOM 0 HB2 ALA A 2 -9.422 -12.099 -3.443 1.00 7.10 H new ATOM 0 HB3 ALA A 2 -8.585 -11.816 -4.988 1.00 7.10 H new ATOM 30 N GLU A 3 -11.451 -9.092 -6.187 1.00 2.30 N ATOM 31 CA GLU A 3 -11.481 -7.901 -7.016 1.00 1.13 C ATOM 32 C GLU A 3 -10.715 -6.740 -6.372 1.00 1.35 C ATOM 33 O GLU A 3 -10.195 -6.826 -5.262 1.00 2.62 O ATOM 34 CB GLU A 3 -12.947 -7.530 -7.301 1.00 2.95 C ATOM 35 CG GLU A 3 -13.481 -8.358 -8.474 1.00 3.53 C ATOM 36 CD GLU A 3 -14.981 -8.172 -8.630 1.00 4.36 C ATOM 37 OE1 GLU A 3 -15.366 -7.059 -9.049 1.00 4.96 O ATOM 38 OE2 GLU A 3 -15.701 -9.142 -8.314 1.00 4.94 O ATOM 0 H GLU A 3 -12.378 -9.420 -5.918 1.00 2.30 H new ATOM 0 HA GLU A 3 -10.975 -8.109 -7.959 1.00 1.13 H new ATOM 0 HB2 GLU A 3 -13.554 -7.708 -6.414 1.00 2.95 H new ATOM 0 HB3 GLU A 3 -13.023 -6.467 -7.531 1.00 2.95 H new ATOM 0 HG2 GLU A 3 -12.976 -8.061 -9.393 1.00 3.53 H new ATOM 0 HG3 GLU A 3 -13.256 -9.412 -8.313 1.00 3.53 H new ATOM 45 N LYS A 4 -10.685 -5.618 -7.087 1.00 0.61 N ATOM 46 CA LYS A 4 -9.828 -4.498 -6.755 1.00 0.50 C ATOM 47 C LYS A 4 -10.404 -3.747 -5.563 1.00 0.44 C ATOM 48 O LYS A 4 -11.619 -3.649 -5.395 1.00 0.65 O ATOM 49 CB LYS A 4 -9.711 -3.576 -7.976 1.00 0.80 C ATOM 50 CG LYS A 4 -11.053 -3.072 -8.538 1.00 1.09 C ATOM 51 CD LYS A 4 -10.848 -2.589 -9.981 1.00 2.02 C ATOM 52 CE LYS A 4 -12.195 -2.282 -10.651 1.00 2.65 C ATOM 53 NZ LYS A 4 -12.049 -2.067 -12.107 1.00 4.22 N ATOM 0 H LYS A 4 -11.260 -5.466 -7.916 1.00 0.61 H new ATOM 0 HA LYS A 4 -8.834 -4.855 -6.486 1.00 0.50 H new ATOM 0 HB2 LYS A 4 -9.100 -2.715 -7.705 1.00 0.80 H new ATOM 0 HB3 LYS A 4 -9.180 -4.108 -8.765 1.00 0.80 H new ATOM 0 HG2 LYS A 4 -11.795 -3.870 -8.511 1.00 1.09 H new ATOM 0 HG3 LYS A 4 -11.437 -2.259 -7.921 1.00 1.09 H new ATOM 0 HD2 LYS A 4 -10.223 -1.696 -9.985 1.00 2.02 H new ATOM 0 HD3 LYS A 4 -10.318 -3.351 -10.552 1.00 2.02 H new ATOM 0 HE2 LYS A 4 -12.886 -3.106 -10.473 1.00 2.65 H new ATOM 0 HE3 LYS A 4 -12.634 -1.395 -10.195 1.00 2.65 H new ATOM 0 HZ1 LYS A 4 -12.980 -1.862 -12.523 1.00 4.22 H new ATOM 0 HZ2 LYS A 4 -11.410 -1.264 -12.277 1.00 4.22 H new ATOM 0 HZ3 LYS A 4 -11.654 -2.923 -12.546 1.00 4.22 H new ATOM 67 N THR A 5 -9.529 -3.234 -4.700 1.00 0.35 N ATOM 68 CA THR A 5 -9.953 -2.514 -3.510 1.00 0.37 C ATOM 69 C THR A 5 -8.946 -1.446 -3.218 1.00 0.31 C ATOM 70 O THR A 5 -7.750 -1.659 -3.411 1.00 0.46 O ATOM 71 CB THR A 5 -10.102 -3.468 -2.318 1.00 0.50 C ATOM 72 OG1 THR A 5 -11.152 -4.319 -2.668 1.00 0.74 O ATOM 73 CG2 THR A 5 -10.502 -2.771 -1.011 1.00 0.60 C ATOM 0 H THR A 5 -8.517 -3.307 -4.808 1.00 0.35 H new ATOM 0 HA THR A 5 -10.929 -2.060 -3.683 1.00 0.37 H new ATOM 0 HB THR A 5 -9.145 -3.956 -2.134 1.00 0.50 H new ATOM 0 HG1 THR A 5 -11.305 -4.964 -1.946 1.00 0.74 H new ATOM 0 HG21 THR A 5 -10.587 -3.511 -0.215 1.00 0.60 H new ATOM 0 HG22 THR A 5 -9.743 -2.036 -0.743 1.00 0.60 H new ATOM 0 HG23 THR A 5 -11.461 -2.270 -1.145 1.00 0.60 H new ATOM 81 N VAL A 6 -9.450 -0.310 -2.741 1.00 0.48 N ATOM 82 CA VAL A 6 -8.630 0.728 -2.193 1.00 0.41 C ATOM 83 C VAL A 6 -8.943 0.930 -0.720 1.00 0.40 C ATOM 84 O VAL A 6 -10.102 0.927 -0.312 1.00 0.61 O ATOM 85 CB VAL A 6 -8.693 1.981 -3.077 1.00 0.50 C ATOM 86 CG1 VAL A 6 -10.089 2.345 -3.579 1.00 0.69 C ATOM 87 CG2 VAL A 6 -8.045 3.212 -2.433 1.00 0.42 C ATOM 0 H VAL A 6 -10.448 -0.098 -2.731 1.00 0.48 H new ATOM 0 HA VAL A 6 -7.579 0.440 -2.207 1.00 0.41 H new ATOM 0 HB VAL A 6 -8.106 1.688 -3.947 1.00 0.50 H new ATOM 0 HG11 VAL A 6 -10.032 3.243 -4.194 1.00 0.69 H new ATOM 0 HG12 VAL A 6 -10.488 1.523 -4.173 1.00 0.69 H new ATOM 0 HG13 VAL A 6 -10.745 2.529 -2.728 1.00 0.69 H new ATOM 0 HG21 VAL A 6 -8.125 4.062 -3.111 1.00 0.42 H new ATOM 0 HG22 VAL A 6 -8.555 3.445 -1.498 1.00 0.42 H new ATOM 0 HG23 VAL A 6 -6.994 3.006 -2.231 1.00 0.42 H new ATOM 97 N TYR A 7 -7.874 1.037 0.067 1.00 0.24 N ATOM 98 CA TYR A 7 -7.893 1.180 1.509 1.00 0.27 C ATOM 99 C TYR A 7 -7.283 2.545 1.818 1.00 0.30 C ATOM 100 O TYR A 7 -6.626 3.121 0.947 1.00 0.48 O ATOM 101 CB TYR A 7 -7.061 0.056 2.143 1.00 0.26 C ATOM 102 CG TYR A 7 -7.404 -1.362 1.713 1.00 0.31 C ATOM 103 CD1 TYR A 7 -7.026 -1.837 0.440 1.00 1.73 C ATOM 104 CD2 TYR A 7 -7.926 -2.264 2.657 1.00 2.00 C ATOM 105 CE1 TYR A 7 -7.205 -3.189 0.105 1.00 1.67 C ATOM 106 CE2 TYR A 7 -8.107 -3.616 2.322 1.00 2.07 C ATOM 107 CZ TYR A 7 -7.736 -4.081 1.050 1.00 0.45 C ATOM 108 OH TYR A 7 -7.675 -5.423 0.828 1.00 0.58 O ATOM 0 H TYR A 7 -6.926 1.025 -0.310 1.00 0.24 H new ATOM 0 HA TYR A 7 -8.904 1.113 1.911 1.00 0.27 H new ATOM 0 HB2 TYR A 7 -6.011 0.238 1.915 1.00 0.26 H new ATOM 0 HB3 TYR A 7 -7.168 0.120 3.226 1.00 0.26 H new ATOM 0 HD1 TYR A 7 -6.597 -1.157 -0.281 1.00 1.73 H new ATOM 0 HD2 TYR A 7 -8.189 -1.915 3.645 1.00 2.00 H new ATOM 0 HE1 TYR A 7 -6.934 -3.542 -0.879 1.00 1.67 H new ATOM 0 HE2 TYR A 7 -8.532 -4.298 3.043 1.00 2.07 H new ATOM 0 HH TYR A 7 -8.087 -5.898 1.580 1.00 0.58 H new ATOM 118 N ARG A 8 -7.491 3.067 3.029 1.00 0.24 N ATOM 119 CA ARG A 8 -6.977 4.377 3.413 1.00 0.27 C ATOM 120 C ARG A 8 -5.807 4.225 4.368 1.00 0.20 C ATOM 121 O ARG A 8 -5.925 3.469 5.327 1.00 0.28 O ATOM 122 CB ARG A 8 -8.089 5.229 4.018 1.00 0.51 C ATOM 123 CG ARG A 8 -9.101 5.555 2.914 1.00 1.19 C ATOM 124 CD ARG A 8 -10.159 6.549 3.384 1.00 1.54 C ATOM 125 NE ARG A 8 -9.575 7.834 3.788 1.00 1.75 N ATOM 126 CZ ARG A 8 -10.274 8.822 4.371 1.00 2.44 C ATOM 127 NH1 ARG A 8 -11.596 8.711 4.528 1.00 2.87 N ATOM 128 NH2 ARG A 8 -9.643 9.923 4.797 1.00 3.84 N ATOM 0 H ARG A 8 -8.017 2.595 3.764 1.00 0.24 H new ATOM 0 HA ARG A 8 -6.615 4.891 2.523 1.00 0.27 H new ATOM 0 HB2 ARG A 8 -8.576 4.694 4.833 1.00 0.51 H new ATOM 0 HB3 ARG A 8 -7.678 6.146 4.439 1.00 0.51 H new ATOM 0 HG2 ARG A 8 -8.576 5.965 2.051 1.00 1.19 H new ATOM 0 HG3 ARG A 8 -9.587 4.637 2.585 1.00 1.19 H new ATOM 0 HD2 ARG A 8 -10.879 6.715 2.583 1.00 1.54 H new ATOM 0 HD3 ARG A 8 -10.708 6.122 4.223 1.00 1.54 H new ATOM 0 HE ARG A 8 -8.581 7.985 3.616 1.00 1.75 H new ATOM 0 HH11 ARG A 8 -12.079 7.873 4.205 1.00 2.87 H new ATOM 0 HH12 ARG A 8 -12.122 9.464 4.971 1.00 2.87 H new ATOM 0 HH21 ARG A 8 -8.634 10.010 4.679 1.00 3.84 H new ATOM 0 HH22 ARG A 8 -10.172 10.675 5.240 1.00 3.84 H new ATOM 142 N VAL A 9 -4.694 4.920 4.102 1.00 0.26 N ATOM 143 CA VAL A 9 -3.449 4.769 4.860 1.00 0.25 C ATOM 144 C VAL A 9 -3.137 6.094 5.537 1.00 0.32 C ATOM 145 O VAL A 9 -3.392 7.130 4.932 1.00 0.42 O ATOM 146 CB VAL A 9 -2.304 4.285 3.944 1.00 0.30 C ATOM 147 CG1 VAL A 9 -2.261 5.035 2.603 1.00 0.32 C ATOM 148 CG2 VAL A 9 -0.943 4.383 4.647 1.00 0.43 C ATOM 0 H VAL A 9 -4.633 5.607 3.350 1.00 0.26 H new ATOM 0 HA VAL A 9 -3.561 4.005 5.629 1.00 0.25 H new ATOM 0 HB VAL A 9 -2.514 3.237 3.728 1.00 0.30 H new ATOM 0 HG11 VAL A 9 -1.437 4.654 1.999 1.00 0.32 H new ATOM 0 HG12 VAL A 9 -3.200 4.884 2.071 1.00 0.32 H new ATOM 0 HG13 VAL A 9 -2.115 6.100 2.786 1.00 0.32 H new ATOM 0 HG21 VAL A 9 -0.160 4.034 3.974 1.00 0.43 H new ATOM 0 HG22 VAL A 9 -0.750 5.420 4.923 1.00 0.43 H new ATOM 0 HG23 VAL A 9 -0.952 3.765 5.545 1.00 0.43 H new ATOM 158 N ASP A 10 -2.607 6.080 6.764 1.00 0.34 N ATOM 159 CA ASP A 10 -2.211 7.317 7.429 1.00 0.38 C ATOM 160 C ASP A 10 -0.937 7.078 8.245 1.00 0.38 C ATOM 161 O ASP A 10 -0.549 5.927 8.465 1.00 0.44 O ATOM 162 CB ASP A 10 -3.385 7.854 8.268 1.00 0.50 C ATOM 163 CG ASP A 10 -3.348 9.364 8.468 1.00 1.33 C ATOM 164 OD1 ASP A 10 -2.236 9.930 8.405 1.00 2.91 O ATOM 165 OD2 ASP A 10 -4.442 9.915 8.708 1.00 1.77 O ATOM 0 H ASP A 10 -2.445 5.233 7.309 1.00 0.34 H new ATOM 0 HA ASP A 10 -1.973 8.088 6.697 1.00 0.38 H new ATOM 0 HB2 ASP A 10 -4.322 7.583 7.782 1.00 0.50 H new ATOM 0 HB3 ASP A 10 -3.378 7.366 9.243 1.00 0.50 H new ATOM 170 N GLY A 11 -0.301 8.163 8.688 1.00 0.50 N ATOM 171 CA GLY A 11 0.899 8.160 9.509 1.00 0.54 C ATOM 172 C GLY A 11 2.076 7.475 8.815 1.00 1.31 C ATOM 173 O GLY A 11 2.559 6.454 9.297 1.00 3.12 O ATOM 0 H GLY A 11 -0.626 9.105 8.472 1.00 0.50 H new ATOM 0 HA2 GLY A 11 1.172 9.187 9.753 1.00 0.54 H new ATOM 0 HA3 GLY A 11 0.691 7.653 10.451 1.00 0.54 H new ATOM 177 N LEU A 12 2.548 8.052 7.706 1.00 0.63 N ATOM 178 CA LEU A 12 3.716 7.617 6.949 1.00 1.12 C ATOM 179 C LEU A 12 4.656 8.802 6.723 1.00 1.89 C ATOM 180 O LEU A 12 4.248 9.941 6.945 1.00 2.41 O ATOM 181 CB LEU A 12 3.258 6.962 5.633 1.00 1.15 C ATOM 182 CG LEU A 12 2.568 7.829 4.566 1.00 1.34 C ATOM 183 CD1 LEU A 12 1.329 8.591 5.035 1.00 2.29 C ATOM 184 CD2 LEU A 12 3.533 8.743 3.805 1.00 2.69 C ATOM 0 H LEU A 12 2.102 8.873 7.296 1.00 0.63 H new ATOM 0 HA LEU A 12 4.276 6.867 7.508 1.00 1.12 H new ATOM 0 HB2 LEU A 12 4.134 6.507 5.170 1.00 1.15 H new ATOM 0 HB3 LEU A 12 2.576 6.152 5.889 1.00 1.15 H new ATOM 0 HG LEU A 12 2.194 7.086 3.862 1.00 1.34 H new ATOM 0 HD11 LEU A 12 0.922 9.169 4.206 1.00 2.29 H new ATOM 0 HD12 LEU A 12 0.578 7.883 5.387 1.00 2.29 H new ATOM 0 HD13 LEU A 12 1.602 9.265 5.847 1.00 2.29 H new ATOM 0 HD21 LEU A 12 2.979 9.325 3.069 1.00 2.69 H new ATOM 0 HD22 LEU A 12 4.024 9.418 4.506 1.00 2.69 H new ATOM 0 HD23 LEU A 12 4.284 8.137 3.298 1.00 2.69 H new ATOM 196 N SER A 13 5.893 8.552 6.272 1.00 2.55 N ATOM 197 CA SER A 13 6.859 9.614 6.000 1.00 3.50 C ATOM 198 C SER A 13 6.411 10.527 4.849 1.00 1.95 C ATOM 199 O SER A 13 5.907 11.617 5.098 1.00 1.95 O ATOM 200 CB SER A 13 8.261 9.036 5.762 1.00 5.58 C ATOM 201 OG SER A 13 8.852 8.691 6.994 1.00 6.71 O ATOM 0 H SER A 13 6.246 7.613 6.088 1.00 2.55 H new ATOM 0 HA SER A 13 6.908 10.244 6.888 1.00 3.50 H new ATOM 0 HB2 SER A 13 8.198 8.157 5.120 1.00 5.58 H new ATOM 0 HB3 SER A 13 8.882 9.766 5.243 1.00 5.58 H new ATOM 0 HG SER A 13 8.888 7.715 7.078 1.00 6.71 H new ATOM 207 N CYS A 14 6.638 10.135 3.584 1.00 1.37 N ATOM 208 CA CYS A 14 6.330 10.987 2.433 1.00 1.11 C ATOM 209 C CYS A 14 6.521 10.201 1.131 1.00 0.90 C ATOM 210 O CYS A 14 6.694 8.981 1.166 1.00 0.75 O ATOM 211 CB CYS A 14 7.191 12.272 2.455 1.00 2.09 C ATOM 212 SG CYS A 14 6.190 13.718 2.004 1.00 4.38 S ATOM 0 H CYS A 14 7.036 9.229 3.337 1.00 1.37 H new ATOM 0 HA CYS A 14 5.286 11.296 2.491 1.00 1.11 H new ATOM 0 HB2 CYS A 14 7.618 12.414 3.448 1.00 2.09 H new ATOM 0 HB3 CYS A 14 8.025 12.169 1.761 1.00 2.09 H new ATOM 0 HG CYS A 14 6.932 14.785 2.031 1.00 4.38 H new ATOM 218 N THR A 15 6.528 10.894 -0.017 1.00 1.09 N ATOM 219 CA THR A 15 6.618 10.313 -1.354 1.00 1.01 C ATOM 220 C THR A 15 7.740 9.277 -1.483 1.00 0.82 C ATOM 221 O THR A 15 7.579 8.273 -2.169 1.00 0.65 O ATOM 222 CB THR A 15 6.707 11.421 -2.419 1.00 1.27 C ATOM 223 OG1 THR A 15 6.430 10.896 -3.699 1.00 2.35 O ATOM 224 CG2 THR A 15 8.058 12.144 -2.442 1.00 2.15 C ATOM 0 H THR A 15 6.469 11.912 -0.035 1.00 1.09 H new ATOM 0 HA THR A 15 5.698 9.755 -1.530 1.00 1.01 H new ATOM 0 HB THR A 15 5.957 12.162 -2.144 1.00 1.27 H new ATOM 0 HG1 THR A 15 6.489 11.612 -4.366 1.00 2.35 H new ATOM 0 HG21 THR A 15 8.047 12.911 -3.217 1.00 2.15 H new ATOM 0 HG22 THR A 15 8.238 12.610 -1.473 1.00 2.15 H new ATOM 0 HG23 THR A 15 8.851 11.427 -2.653 1.00 2.15 H new ATOM 232 N ASN A 16 8.874 9.503 -0.816 1.00 0.96 N ATOM 233 CA ASN A 16 9.983 8.560 -0.787 1.00 0.95 C ATOM 234 C ASN A 16 9.492 7.173 -0.359 1.00 0.66 C ATOM 235 O ASN A 16 9.742 6.163 -1.015 1.00 0.59 O ATOM 236 CB ASN A 16 11.078 9.066 0.165 1.00 1.29 C ATOM 237 CG ASN A 16 11.613 10.429 -0.264 1.00 2.31 C ATOM 238 OD1 ASN A 16 12.384 10.529 -1.210 1.00 2.71 O ATOM 239 ND2 ASN A 16 11.187 11.497 0.410 1.00 3.65 N ATOM 0 H ASN A 16 9.045 10.353 -0.279 1.00 0.96 H new ATOM 0 HA ASN A 16 10.404 8.478 -1.789 1.00 0.95 H new ATOM 0 HB2 ASN A 16 10.678 9.134 1.177 1.00 1.29 H new ATOM 0 HB3 ASN A 16 11.896 8.346 0.194 1.00 1.29 H new ATOM 0 HD21 ASN A 16 11.503 12.429 0.142 1.00 3.65 H new ATOM 0 HD22 ASN A 16 10.545 11.382 1.194 1.00 3.65 H new ATOM 246 N CYS A 17 8.760 7.136 0.755 1.00 0.61 N ATOM 247 CA CYS A 17 8.153 5.912 1.251 1.00 0.45 C ATOM 248 C CYS A 17 6.987 5.492 0.371 1.00 0.42 C ATOM 249 O CYS A 17 6.751 4.299 0.222 1.00 0.41 O ATOM 250 CB CYS A 17 7.684 6.086 2.689 1.00 0.63 C ATOM 251 SG CYS A 17 9.083 5.834 3.800 1.00 0.98 S ATOM 0 H CYS A 17 8.575 7.955 1.334 1.00 0.61 H new ATOM 0 HA CYS A 17 8.910 5.129 1.223 1.00 0.45 H new ATOM 0 HB2 CYS A 17 7.266 7.083 2.830 1.00 0.63 H new ATOM 0 HB3 CYS A 17 6.891 5.373 2.915 1.00 0.63 H new ATOM 0 HG CYS A 17 8.703 6.029 5.028 1.00 0.98 H new ATOM 257 N ALA A 18 6.252 6.445 -0.210 1.00 0.48 N ATOM 258 CA ALA A 18 5.181 6.107 -1.144 1.00 0.52 C ATOM 259 C ALA A 18 5.723 5.223 -2.263 1.00 0.50 C ATOM 260 O ALA A 18 5.142 4.190 -2.590 1.00 0.49 O ATOM 261 CB ALA A 18 4.541 7.356 -1.751 1.00 0.59 C ATOM 0 H ALA A 18 6.379 7.445 -0.051 1.00 0.48 H new ATOM 0 HA ALA A 18 4.415 5.571 -0.583 1.00 0.52 H new ATOM 0 HB1 ALA A 18 3.749 7.061 -2.440 1.00 0.59 H new ATOM 0 HB2 ALA A 18 4.120 7.972 -0.956 1.00 0.59 H new ATOM 0 HB3 ALA A 18 5.297 7.927 -2.290 1.00 0.59 H new ATOM 267 N ALA A 19 6.862 5.636 -2.823 1.00 0.52 N ATOM 268 CA ALA A 19 7.534 4.916 -3.893 1.00 0.52 C ATOM 269 C ALA A 19 7.908 3.523 -3.398 1.00 0.47 C ATOM 270 O ALA A 19 7.599 2.518 -4.038 1.00 0.48 O ATOM 271 CB ALA A 19 8.770 5.691 -4.359 1.00 0.59 C ATOM 0 H ALA A 19 7.344 6.489 -2.539 1.00 0.52 H new ATOM 0 HA ALA A 19 6.866 4.817 -4.749 1.00 0.52 H new ATOM 0 HB1 ALA A 19 9.264 5.141 -5.160 1.00 0.59 H new ATOM 0 HB2 ALA A 19 8.468 6.672 -4.725 1.00 0.59 H new ATOM 0 HB3 ALA A 19 9.460 5.812 -3.524 1.00 0.59 H new ATOM 277 N LYS A 20 8.553 3.460 -2.228 1.00 0.46 N ATOM 278 CA LYS A 20 8.879 2.186 -1.606 1.00 0.44 C ATOM 279 C LYS A 20 7.630 1.315 -1.468 1.00 0.40 C ATOM 280 O LYS A 20 7.691 0.124 -1.746 1.00 0.41 O ATOM 281 CB LYS A 20 9.591 2.412 -0.268 1.00 0.44 C ATOM 282 CG LYS A 20 10.157 1.102 0.299 1.00 0.58 C ATOM 283 CD LYS A 20 11.422 1.406 1.110 1.00 1.15 C ATOM 284 CE LYS A 20 11.961 0.130 1.770 1.00 1.69 C ATOM 285 NZ LYS A 20 13.310 0.336 2.336 1.00 2.34 N ATOM 0 H LYS A 20 8.856 4.278 -1.699 1.00 0.46 H new ATOM 0 HA LYS A 20 9.571 1.642 -2.249 1.00 0.44 H new ATOM 0 HB2 LYS A 20 10.400 3.131 -0.402 1.00 0.44 H new ATOM 0 HB3 LYS A 20 8.893 2.847 0.447 1.00 0.44 H new ATOM 0 HG2 LYS A 20 9.414 0.615 0.931 1.00 0.58 H new ATOM 0 HG3 LYS A 20 10.388 0.411 -0.512 1.00 0.58 H new ATOM 0 HD2 LYS A 20 12.184 1.834 0.459 1.00 1.15 H new ATOM 0 HD3 LYS A 20 11.200 2.151 1.874 1.00 1.15 H new ATOM 0 HE2 LYS A 20 11.280 -0.187 2.559 1.00 1.69 H new ATOM 0 HE3 LYS A 20 11.994 -0.674 1.035 1.00 1.69 H new ATOM 0 HZ1 LYS A 20 13.642 -0.547 2.773 1.00 2.34 H new ATOM 0 HZ2 LYS A 20 13.966 0.614 1.578 1.00 2.34 H new ATOM 0 HZ3 LYS A 20 13.274 1.086 3.055 1.00 2.34 H new ATOM 299 N PHE A 21 6.496 1.902 -1.077 1.00 0.41 N ATOM 300 CA PHE A 21 5.239 1.193 -0.924 1.00 0.40 C ATOM 301 C PHE A 21 4.764 0.648 -2.268 1.00 0.43 C ATOM 302 O PHE A 21 4.571 -0.558 -2.393 1.00 0.46 O ATOM 303 CB PHE A 21 4.183 2.087 -0.255 1.00 0.41 C ATOM 304 CG PHE A 21 3.150 1.364 0.593 1.00 0.94 C ATOM 305 CD1 PHE A 21 3.573 0.576 1.679 1.00 1.68 C ATOM 306 CD2 PHE A 21 1.793 1.729 0.507 1.00 2.52 C ATOM 307 CE1 PHE A 21 2.699 0.325 2.745 1.00 1.77 C ATOM 308 CE2 PHE A 21 0.954 1.569 1.624 1.00 2.81 C ATOM 309 CZ PHE A 21 1.456 0.969 2.787 1.00 1.61 C ATOM 0 H PHE A 21 6.432 2.896 -0.857 1.00 0.41 H new ATOM 0 HA PHE A 21 5.397 0.339 -0.265 1.00 0.40 H new ATOM 0 HB2 PHE A 21 4.696 2.816 0.373 1.00 0.41 H new ATOM 0 HB3 PHE A 21 3.662 2.646 -1.032 1.00 0.41 H new ATOM 0 HD1 PHE A 21 4.571 0.165 1.691 1.00 1.68 H new ATOM 0 HD2 PHE A 21 1.398 2.131 -0.414 1.00 2.52 H new ATOM 0 HE1 PHE A 21 2.982 -0.361 3.530 1.00 1.77 H new ATOM 0 HE2 PHE A 21 -0.071 1.906 1.586 1.00 2.81 H new ATOM 0 HZ PHE A 21 0.890 1.003 3.706 1.00 1.61 H new ATOM 319 N GLU A 22 4.585 1.506 -3.281 1.00 0.41 N ATOM 320 CA GLU A 22 4.081 1.051 -4.573 1.00 0.44 C ATOM 321 C GLU A 22 4.968 -0.073 -5.104 1.00 0.40 C ATOM 322 O GLU A 22 4.471 -1.095 -5.571 1.00 0.40 O ATOM 323 CB GLU A 22 3.915 2.205 -5.581 1.00 0.49 C ATOM 324 CG GLU A 22 5.135 2.543 -6.441 1.00 0.50 C ATOM 325 CD GLU A 22 4.795 3.569 -7.506 1.00 1.26 C ATOM 326 OE1 GLU A 22 4.198 3.123 -8.512 1.00 1.86 O ATOM 327 OE2 GLU A 22 5.150 4.748 -7.312 1.00 2.53 O ATOM 0 H GLU A 22 4.780 2.506 -3.228 1.00 0.41 H new ATOM 0 HA GLU A 22 3.076 0.653 -4.430 1.00 0.44 H new ATOM 0 HB2 GLU A 22 3.087 1.960 -6.246 1.00 0.49 H new ATOM 0 HB3 GLU A 22 3.628 3.100 -5.030 1.00 0.49 H new ATOM 0 HG2 GLU A 22 5.934 2.926 -5.807 1.00 0.50 H new ATOM 0 HG3 GLU A 22 5.511 1.636 -6.914 1.00 0.50 H new ATOM 334 N ARG A 23 6.287 0.126 -5.011 1.00 0.39 N ATOM 335 CA ARG A 23 7.271 -0.841 -5.455 1.00 0.41 C ATOM 336 C ARG A 23 7.096 -2.140 -4.669 1.00 0.39 C ATOM 337 O ARG A 23 6.938 -3.196 -5.269 1.00 0.41 O ATOM 338 CB ARG A 23 8.676 -0.254 -5.264 1.00 0.48 C ATOM 339 CG ARG A 23 9.721 -1.013 -6.087 1.00 0.66 C ATOM 340 CD ARG A 23 9.865 -0.388 -7.477 1.00 1.84 C ATOM 341 NE ARG A 23 10.819 -1.157 -8.287 1.00 2.04 N ATOM 342 CZ ARG A 23 11.350 -0.740 -9.448 1.00 2.87 C ATOM 343 NH1 ARG A 23 11.010 0.455 -9.945 1.00 3.70 N ATOM 344 NH2 ARG A 23 12.218 -1.518 -10.103 1.00 3.29 N ATOM 0 H ARG A 23 6.696 0.975 -4.620 1.00 0.39 H new ATOM 0 HA ARG A 23 7.134 -1.065 -6.513 1.00 0.41 H new ATOM 0 HB2 ARG A 23 8.675 0.796 -5.556 1.00 0.48 H new ATOM 0 HB3 ARG A 23 8.946 -0.291 -4.209 1.00 0.48 H new ATOM 0 HG2 ARG A 23 10.682 -0.995 -5.572 1.00 0.66 H new ATOM 0 HG3 ARG A 23 9.429 -2.059 -6.180 1.00 0.66 H new ATOM 0 HD2 ARG A 23 8.895 -0.362 -7.973 1.00 1.84 H new ATOM 0 HD3 ARG A 23 10.204 0.644 -7.386 1.00 1.84 H new ATOM 0 HE ARG A 23 11.099 -2.075 -7.942 1.00 2.04 H new ATOM 0 HH11 ARG A 23 10.349 1.047 -9.442 1.00 3.70 H new ATOM 0 HH12 ARG A 23 11.412 0.774 -10.827 1.00 3.70 H new ATOM 0 HH21 ARG A 23 12.477 -2.428 -9.721 1.00 3.29 H new ATOM 0 HH22 ARG A 23 12.622 -1.202 -10.985 1.00 3.29 H new ATOM 358 N ASN A 24 7.074 -2.058 -3.336 1.00 0.37 N ATOM 359 CA ASN A 24 6.838 -3.203 -2.467 1.00 0.39 C ATOM 360 C ASN A 24 5.615 -3.972 -2.944 1.00 0.36 C ATOM 361 O ASN A 24 5.677 -5.186 -3.091 1.00 0.38 O ATOM 362 CB ASN A 24 6.627 -2.776 -1.005 1.00 0.46 C ATOM 363 CG ASN A 24 7.854 -2.982 -0.124 1.00 0.57 C ATOM 364 OD1 ASN A 24 8.444 -2.035 0.386 1.00 2.00 O ATOM 365 ND2 ASN A 24 8.201 -4.239 0.132 1.00 1.63 N ATOM 0 H ASN A 24 7.221 -1.185 -2.830 1.00 0.37 H new ATOM 0 HA ASN A 24 7.723 -3.837 -2.513 1.00 0.39 H new ATOM 0 HB2 ASN A 24 6.345 -1.723 -0.980 1.00 0.46 H new ATOM 0 HB3 ASN A 24 5.792 -3.339 -0.588 1.00 0.46 H new ATOM 0 HD21 ASN A 24 8.975 -4.435 0.766 1.00 1.63 H new ATOM 0 HD22 ASN A 24 7.693 -5.008 -0.306 1.00 1.63 H new ATOM 372 N VAL A 25 4.496 -3.283 -3.181 1.00 0.35 N ATOM 373 CA VAL A 25 3.298 -3.960 -3.649 1.00 0.32 C ATOM 374 C VAL A 25 3.567 -4.618 -5.008 1.00 0.33 C ATOM 375 O VAL A 25 3.325 -5.811 -5.167 1.00 0.35 O ATOM 376 CB VAL A 25 2.069 -3.032 -3.624 1.00 0.37 C ATOM 377 CG1 VAL A 25 0.814 -3.826 -4.000 1.00 0.39 C ATOM 378 CG2 VAL A 25 1.836 -2.479 -2.214 1.00 0.42 C ATOM 0 H VAL A 25 4.400 -2.275 -3.058 1.00 0.35 H new ATOM 0 HA VAL A 25 3.044 -4.765 -2.959 1.00 0.32 H new ATOM 0 HB VAL A 25 2.254 -2.220 -4.327 1.00 0.37 H new ATOM 0 HG11 VAL A 25 -0.053 -3.166 -3.981 1.00 0.39 H new ATOM 0 HG12 VAL A 25 0.932 -4.241 -5.001 1.00 0.39 H new ATOM 0 HG13 VAL A 25 0.669 -4.637 -3.286 1.00 0.39 H new ATOM 0 HG21 VAL A 25 0.963 -1.826 -2.219 1.00 0.42 H new ATOM 0 HG22 VAL A 25 1.668 -3.305 -1.523 1.00 0.42 H new ATOM 0 HG23 VAL A 25 2.711 -1.912 -1.896 1.00 0.42 H new ATOM 388 N LYS A 26 4.109 -3.869 -5.971 1.00 0.37 N ATOM 389 CA LYS A 26 4.529 -4.384 -7.270 1.00 0.40 C ATOM 390 C LYS A 26 5.434 -5.624 -7.167 1.00 0.44 C ATOM 391 O LYS A 26 5.366 -6.494 -8.031 1.00 0.54 O ATOM 392 CB LYS A 26 5.183 -3.229 -8.044 1.00 0.46 C ATOM 393 CG LYS A 26 4.104 -2.354 -8.691 1.00 0.51 C ATOM 394 CD LYS A 26 4.591 -0.927 -8.964 1.00 0.64 C ATOM 395 CE LYS A 26 3.648 -0.243 -9.969 1.00 0.70 C ATOM 396 NZ LYS A 26 3.956 1.189 -10.162 1.00 1.52 N ATOM 0 H LYS A 26 4.270 -2.867 -5.864 1.00 0.37 H new ATOM 0 HA LYS A 26 3.656 -4.743 -7.815 1.00 0.40 H new ATOM 0 HB2 LYS A 26 5.794 -2.629 -7.370 1.00 0.46 H new ATOM 0 HB3 LYS A 26 5.849 -3.625 -8.810 1.00 0.46 H new ATOM 0 HG2 LYS A 26 3.784 -2.811 -9.628 1.00 0.51 H new ATOM 0 HG3 LYS A 26 3.231 -2.318 -8.039 1.00 0.51 H new ATOM 0 HD2 LYS A 26 4.622 -0.359 -8.034 1.00 0.64 H new ATOM 0 HD3 LYS A 26 5.607 -0.948 -9.359 1.00 0.64 H new ATOM 0 HE2 LYS A 26 3.713 -0.756 -10.928 1.00 0.70 H new ATOM 0 HE3 LYS A 26 2.620 -0.345 -9.622 1.00 0.70 H new ATOM 0 HZ1 LYS A 26 3.203 1.633 -10.726 1.00 1.52 H new ATOM 0 HZ2 LYS A 26 4.018 1.659 -9.236 1.00 1.52 H new ATOM 0 HZ3 LYS A 26 4.864 1.285 -10.660 1.00 1.52 H new ATOM 410 N GLU A 27 6.272 -5.722 -6.132 1.00 0.42 N ATOM 411 CA GLU A 27 7.131 -6.878 -5.898 1.00 0.50 C ATOM 412 C GLU A 27 6.338 -8.128 -5.477 1.00 0.51 C ATOM 413 O GLU A 27 6.845 -9.238 -5.625 1.00 0.67 O ATOM 414 CB GLU A 27 8.209 -6.519 -4.860 1.00 0.57 C ATOM 415 CG GLU A 27 9.216 -5.485 -5.398 1.00 0.75 C ATOM 416 CD GLU A 27 9.949 -4.727 -4.294 1.00 1.86 C ATOM 417 OE1 GLU A 27 9.911 -5.196 -3.136 1.00 2.55 O ATOM 418 OE2 GLU A 27 10.539 -3.677 -4.634 1.00 2.71 O ATOM 0 H GLU A 27 6.372 -4.991 -5.427 1.00 0.42 H new ATOM 0 HA GLU A 27 7.614 -7.133 -6.841 1.00 0.50 H new ATOM 0 HB2 GLU A 27 7.730 -6.125 -3.964 1.00 0.57 H new ATOM 0 HB3 GLU A 27 8.742 -7.423 -4.565 1.00 0.57 H new ATOM 0 HG2 GLU A 27 9.947 -5.993 -6.028 1.00 0.75 H new ATOM 0 HG3 GLU A 27 8.690 -4.771 -6.032 1.00 0.75 H new ATOM 425 N ILE A 28 5.120 -7.989 -4.936 1.00 0.43 N ATOM 426 CA ILE A 28 4.318 -9.142 -4.528 1.00 0.48 C ATOM 427 C ILE A 28 3.695 -9.791 -5.773 1.00 0.47 C ATOM 428 O ILE A 28 3.200 -9.096 -6.655 1.00 0.72 O ATOM 429 CB ILE A 28 3.209 -8.736 -3.532 1.00 0.50 C ATOM 430 CG1 ILE A 28 3.691 -7.901 -2.335 1.00 0.53 C ATOM 431 CG2 ILE A 28 2.474 -9.977 -3.005 1.00 0.72 C ATOM 432 CD1 ILE A 28 2.520 -7.145 -1.693 1.00 1.20 C ATOM 0 H ILE A 28 4.672 -7.088 -4.772 1.00 0.43 H new ATOM 0 HA ILE A 28 4.970 -9.855 -4.024 1.00 0.48 H new ATOM 0 HB ILE A 28 2.540 -8.098 -4.109 1.00 0.50 H new ATOM 0 HG12 ILE A 28 4.159 -8.552 -1.596 1.00 0.53 H new ATOM 0 HG13 ILE A 28 4.452 -7.192 -2.663 1.00 0.53 H new ATOM 0 HG21 ILE A 28 1.697 -9.670 -2.305 1.00 0.72 H new ATOM 0 HG22 ILE A 28 2.020 -10.513 -3.839 1.00 0.72 H new ATOM 0 HG23 ILE A 28 3.182 -10.631 -2.496 1.00 0.72 H new ATOM 0 HD11 ILE A 28 2.884 -6.561 -0.848 1.00 1.20 H new ATOM 0 HD12 ILE A 28 2.070 -6.478 -2.429 1.00 1.20 H new ATOM 0 HD13 ILE A 28 1.773 -7.859 -1.346 1.00 1.20 H new ATOM 444 N GLU A 29 3.667 -11.125 -5.831 1.00 0.41 N ATOM 445 CA GLU A 29 3.096 -11.884 -6.929 1.00 0.51 C ATOM 446 C GLU A 29 1.576 -12.055 -6.826 1.00 0.65 C ATOM 447 O GLU A 29 0.907 -12.345 -7.812 1.00 1.81 O ATOM 448 CB GLU A 29 3.806 -13.238 -6.957 1.00 0.69 C ATOM 449 CG GLU A 29 5.211 -13.130 -7.561 1.00 0.84 C ATOM 450 CD GLU A 29 5.894 -14.490 -7.595 1.00 1.37 C ATOM 451 OE1 GLU A 29 6.172 -15.004 -6.491 1.00 2.37 O ATOM 452 OE2 GLU A 29 6.103 -14.996 -8.718 1.00 2.14 O ATOM 0 H GLU A 29 4.052 -11.715 -5.094 1.00 0.41 H new ATOM 0 HA GLU A 29 3.251 -11.336 -7.859 1.00 0.51 H new ATOM 0 HB2 GLU A 29 3.875 -13.634 -5.944 1.00 0.69 H new ATOM 0 HB3 GLU A 29 3.215 -13.947 -7.536 1.00 0.69 H new ATOM 0 HG2 GLU A 29 5.147 -12.726 -8.571 1.00 0.84 H new ATOM 0 HG3 GLU A 29 5.810 -12.432 -6.976 1.00 0.84 H new ATOM 459 N GLY A 30 1.035 -11.906 -5.619 1.00 0.81 N ATOM 460 CA GLY A 30 -0.389 -12.073 -5.338 1.00 0.91 C ATOM 461 C GLY A 30 -1.241 -10.963 -5.964 1.00 0.81 C ATOM 462 O GLY A 30 -2.409 -11.161 -6.297 1.00 0.99 O ATOM 0 H GLY A 30 1.583 -11.662 -4.794 1.00 0.81 H new ATOM 0 HA2 GLY A 30 -0.721 -13.040 -5.717 1.00 0.91 H new ATOM 0 HA3 GLY A 30 -0.545 -12.083 -4.259 1.00 0.91 H new ATOM 466 N VAL A 31 -0.669 -9.766 -6.076 1.00 0.62 N ATOM 467 CA VAL A 31 -1.303 -8.596 -6.647 1.00 0.56 C ATOM 468 C VAL A 31 -0.925 -8.494 -8.134 1.00 0.55 C ATOM 469 O VAL A 31 -0.271 -9.375 -8.686 1.00 0.72 O ATOM 470 CB VAL A 31 -0.876 -7.411 -5.765 1.00 0.59 C ATOM 471 CG1 VAL A 31 0.584 -7.026 -5.961 1.00 0.69 C ATOM 472 CG2 VAL A 31 -1.743 -6.171 -5.929 1.00 0.62 C ATOM 0 H VAL A 31 0.283 -9.585 -5.758 1.00 0.62 H new ATOM 0 HA VAL A 31 -2.393 -8.629 -6.648 1.00 0.56 H new ATOM 0 HB VAL A 31 -1.016 -7.783 -4.750 1.00 0.59 H new ATOM 0 HG11 VAL A 31 0.828 -6.184 -5.313 1.00 0.69 H new ATOM 0 HG12 VAL A 31 1.221 -7.874 -5.710 1.00 0.69 H new ATOM 0 HG13 VAL A 31 0.749 -6.743 -7.001 1.00 0.69 H new ATOM 0 HG21 VAL A 31 -1.376 -5.381 -5.273 1.00 0.62 H new ATOM 0 HG22 VAL A 31 -1.701 -5.832 -6.964 1.00 0.62 H new ATOM 0 HG23 VAL A 31 -2.774 -6.410 -5.667 1.00 0.62 H new ATOM 482 N THR A 32 -1.379 -7.447 -8.817 1.00 0.69 N ATOM 483 CA THR A 32 -1.102 -7.210 -10.225 1.00 0.69 C ATOM 484 C THR A 32 -0.942 -5.714 -10.456 1.00 0.52 C ATOM 485 O THR A 32 0.115 -5.286 -10.915 1.00 0.54 O ATOM 486 CB THR A 32 -2.215 -7.821 -11.085 1.00 0.80 C ATOM 487 OG1 THR A 32 -2.329 -9.198 -10.779 1.00 1.00 O ATOM 488 CG2 THR A 32 -1.946 -7.653 -12.584 1.00 0.85 C ATOM 0 H THR A 32 -1.963 -6.725 -8.395 1.00 0.69 H new ATOM 0 HA THR A 32 -0.170 -7.694 -10.518 1.00 0.69 H new ATOM 0 HB THR A 32 -3.143 -7.296 -10.858 1.00 0.80 H new ATOM 0 HG1 THR A 32 -3.040 -9.596 -11.323 1.00 1.00 H new ATOM 0 HG21 THR A 32 -2.761 -8.101 -13.152 1.00 0.85 H new ATOM 0 HG22 THR A 32 -1.876 -6.592 -12.824 1.00 0.85 H new ATOM 0 HG23 THR A 32 -1.009 -8.146 -12.843 1.00 0.85 H new ATOM 496 N GLU A 33 -1.963 -4.922 -10.110 1.00 0.41 N ATOM 497 CA GLU A 33 -1.834 -3.469 -10.127 1.00 0.41 C ATOM 498 C GLU A 33 -1.933 -2.914 -8.711 1.00 0.40 C ATOM 499 O GLU A 33 -2.603 -3.480 -7.850 1.00 0.65 O ATOM 500 CB GLU A 33 -2.851 -2.822 -11.075 1.00 0.56 C ATOM 501 CG GLU A 33 -2.432 -2.950 -12.545 1.00 0.67 C ATOM 502 CD GLU A 33 -2.805 -1.690 -13.316 1.00 1.22 C ATOM 503 OE1 GLU A 33 -2.150 -0.661 -13.046 1.00 1.56 O ATOM 504 OE2 GLU A 33 -3.750 -1.772 -14.128 1.00 2.59 O ATOM 0 H GLU A 33 -2.879 -5.263 -9.818 1.00 0.41 H new ATOM 0 HA GLU A 33 -0.848 -3.215 -10.516 1.00 0.41 H new ATOM 0 HB2 GLU A 33 -3.826 -3.289 -10.934 1.00 0.56 H new ATOM 0 HB3 GLU A 33 -2.963 -1.768 -10.821 1.00 0.56 H new ATOM 0 HG2 GLU A 33 -1.357 -3.119 -12.610 1.00 0.67 H new ATOM 0 HG3 GLU A 33 -2.918 -3.816 -12.994 1.00 0.67 H new ATOM 511 N ALA A 34 -1.245 -1.800 -8.463 1.00 0.32 N ATOM 512 CA ALA A 34 -1.233 -1.138 -7.174 1.00 0.44 C ATOM 513 C ALA A 34 -1.097 0.354 -7.420 1.00 0.34 C ATOM 514 O ALA A 34 -0.168 0.748 -8.126 1.00 0.38 O ATOM 515 CB ALA A 34 -0.055 -1.663 -6.357 1.00 0.82 C ATOM 0 H ALA A 34 -0.675 -1.331 -9.167 1.00 0.32 H new ATOM 0 HA ALA A 34 -2.150 -1.334 -6.619 1.00 0.44 H new ATOM 0 HB1 ALA A 34 -0.038 -1.170 -5.385 1.00 0.82 H new ATOM 0 HB2 ALA A 34 -0.160 -2.739 -6.217 1.00 0.82 H new ATOM 0 HB3 ALA A 34 0.876 -1.455 -6.885 1.00 0.82 H new ATOM 521 N ILE A 35 -2.020 1.169 -6.898 1.00 0.35 N ATOM 522 CA ILE A 35 -1.987 2.609 -7.147 1.00 0.39 C ATOM 523 C ILE A 35 -2.080 3.316 -5.796 1.00 0.40 C ATOM 524 O ILE A 35 -3.161 3.430 -5.223 1.00 0.48 O ATOM 525 CB ILE A 35 -3.074 3.035 -8.163 1.00 0.48 C ATOM 526 CG1 ILE A 35 -2.968 2.209 -9.464 1.00 0.58 C ATOM 527 CG2 ILE A 35 -2.931 4.534 -8.474 1.00 0.58 C ATOM 528 CD1 ILE A 35 -4.132 2.440 -10.433 1.00 1.33 C ATOM 0 H ILE A 35 -2.791 0.858 -6.307 1.00 0.35 H new ATOM 0 HA ILE A 35 -1.051 2.903 -7.621 1.00 0.39 H new ATOM 0 HB ILE A 35 -4.054 2.848 -7.723 1.00 0.48 H new ATOM 0 HG12 ILE A 35 -2.033 2.457 -9.967 1.00 0.58 H new ATOM 0 HG13 ILE A 35 -2.922 1.150 -9.210 1.00 0.58 H new ATOM 0 HG21 ILE A 35 -3.697 4.832 -9.190 1.00 0.58 H new ATOM 0 HG22 ILE A 35 -3.049 5.109 -7.556 1.00 0.58 H new ATOM 0 HG23 ILE A 35 -1.945 4.725 -8.898 1.00 0.58 H new ATOM 0 HD11 ILE A 35 -3.991 1.828 -11.324 1.00 1.33 H new ATOM 0 HD12 ILE A 35 -5.069 2.165 -9.948 1.00 1.33 H new ATOM 0 HD13 ILE A 35 -4.166 3.492 -10.717 1.00 1.33 H new ATOM 540 N VAL A 36 -0.938 3.753 -5.258 1.00 0.44 N ATOM 541 CA VAL A 36 -0.884 4.454 -3.982 1.00 0.57 C ATOM 542 C VAL A 36 -0.871 5.965 -4.204 1.00 0.66 C ATOM 543 O VAL A 36 -0.164 6.447 -5.085 1.00 0.82 O ATOM 544 CB VAL A 36 0.311 3.955 -3.153 1.00 0.69 C ATOM 545 CG1 VAL A 36 1.660 4.263 -3.803 1.00 2.11 C ATOM 546 CG2 VAL A 36 0.302 4.562 -1.750 1.00 2.18 C ATOM 0 H VAL A 36 -0.027 3.628 -5.699 1.00 0.44 H new ATOM 0 HA VAL A 36 -1.782 4.234 -3.404 1.00 0.57 H new ATOM 0 HB VAL A 36 0.195 2.873 -3.098 1.00 0.69 H new ATOM 0 HG11 VAL A 36 2.463 3.886 -3.170 1.00 2.11 H new ATOM 0 HG12 VAL A 36 1.711 3.782 -4.780 1.00 2.11 H new ATOM 0 HG13 VAL A 36 1.768 5.341 -3.923 1.00 2.11 H new ATOM 0 HG21 VAL A 36 1.159 4.191 -1.187 1.00 2.18 H new ATOM 0 HG22 VAL A 36 0.359 5.648 -1.823 1.00 2.18 H new ATOM 0 HG23 VAL A 36 -0.618 4.281 -1.238 1.00 2.18 H new ATOM 556 N ASN A 37 -1.618 6.712 -3.383 1.00 0.67 N ATOM 557 CA ASN A 37 -1.487 8.160 -3.273 1.00 0.70 C ATOM 558 C ASN A 37 -1.381 8.512 -1.789 1.00 1.02 C ATOM 559 O ASN A 37 -2.283 9.101 -1.190 1.00 2.11 O ATOM 560 CB ASN A 37 -2.627 8.906 -3.991 1.00 1.12 C ATOM 561 CG ASN A 37 -2.388 9.118 -5.487 1.00 1.67 C ATOM 562 OD1 ASN A 37 -1.259 9.169 -5.956 1.00 2.45 O ATOM 563 ND2 ASN A 37 -3.459 9.298 -6.257 1.00 2.43 N ATOM 0 H ASN A 37 -2.335 6.320 -2.773 1.00 0.67 H new ATOM 0 HA ASN A 37 -0.582 8.491 -3.783 1.00 0.70 H new ATOM 0 HB2 ASN A 37 -3.553 8.347 -3.857 1.00 1.12 H new ATOM 0 HB3 ASN A 37 -2.768 9.876 -3.515 1.00 1.12 H new ATOM 0 HD21 ASN A 37 -3.345 9.482 -7.254 1.00 2.43 H new ATOM 0 HD22 ASN A 37 -4.393 9.252 -5.850 1.00 2.43 H new ATOM 570 N PHE A 38 -0.211 8.195 -1.227 1.00 0.94 N ATOM 571 CA PHE A 38 0.275 8.675 0.065 1.00 1.11 C ATOM 572 C PHE A 38 0.154 10.181 0.200 1.00 1.26 C ATOM 573 O PHE A 38 0.101 10.693 1.311 1.00 2.10 O ATOM 574 CB PHE A 38 1.766 8.354 0.193 1.00 1.42 C ATOM 575 CG PHE A 38 2.133 7.021 0.803 1.00 1.44 C ATOM 576 CD1 PHE A 38 1.174 6.014 0.992 1.00 1.69 C ATOM 577 CD2 PHE A 38 3.413 6.869 1.357 1.00 2.42 C ATOM 578 CE1 PHE A 38 1.498 4.875 1.740 1.00 1.92 C ATOM 579 CE2 PHE A 38 3.742 5.716 2.082 1.00 2.76 C ATOM 580 CZ PHE A 38 2.787 4.707 2.269 1.00 2.16 C ATOM 0 H PHE A 38 0.452 7.568 -1.683 1.00 0.94 H new ATOM 0 HA PHE A 38 -0.329 8.186 0.830 1.00 1.11 H new ATOM 0 HB2 PHE A 38 2.210 8.405 -0.801 1.00 1.42 H new ATOM 0 HB3 PHE A 38 2.231 9.139 0.790 1.00 1.42 H new ATOM 0 HD1 PHE A 38 0.189 6.117 0.562 1.00 1.69 H new ATOM 0 HD2 PHE A 38 4.150 7.647 1.224 1.00 2.42 H new ATOM 0 HE1 PHE A 38 0.747 4.118 1.912 1.00 1.92 H new ATOM 0 HE2 PHE A 38 4.733 5.604 2.497 1.00 2.76 H new ATOM 0 HZ PHE A 38 3.040 3.810 2.814 1.00 2.16 H new ATOM 590 N GLY A 39 0.156 10.896 -0.924 1.00 2.57 N ATOM 591 CA GLY A 39 -0.028 12.326 -0.892 1.00 2.88 C ATOM 592 C GLY A 39 -1.342 12.722 -0.204 1.00 2.92 C ATOM 593 O GLY A 39 -1.470 13.858 0.243 1.00 3.52 O ATOM 0 H GLY A 39 0.283 10.502 -1.856 1.00 2.57 H new ATOM 0 HA2 GLY A 39 0.809 12.787 -0.368 1.00 2.88 H new ATOM 0 HA3 GLY A 39 -0.020 12.715 -1.910 1.00 2.88 H new ATOM 597 N ALA A 40 -2.309 11.794 -0.104 1.00 2.57 N ATOM 598 CA ALA A 40 -3.415 11.907 0.832 1.00 2.29 C ATOM 599 C ALA A 40 -3.385 10.717 1.799 1.00 1.08 C ATOM 600 O ALA A 40 -2.584 10.695 2.729 1.00 2.67 O ATOM 601 CB ALA A 40 -4.731 12.044 0.059 1.00 3.85 C ATOM 0 H ALA A 40 -2.336 10.949 -0.674 1.00 2.57 H new ATOM 0 HA ALA A 40 -3.323 12.806 1.441 1.00 2.29 H new ATOM 0 HB1 ALA A 40 -5.559 12.129 0.763 1.00 3.85 H new ATOM 0 HB2 ALA A 40 -4.694 12.936 -0.567 1.00 3.85 H new ATOM 0 HB3 ALA A 40 -4.877 11.165 -0.569 1.00 3.85 H new ATOM 607 N SER A 41 -4.289 9.748 1.630 1.00 0.66 N ATOM 608 CA SER A 41 -4.476 8.654 2.550 1.00 1.86 C ATOM 609 C SER A 41 -5.194 7.549 1.787 1.00 0.88 C ATOM 610 O SER A 41 -6.320 7.218 2.149 1.00 0.77 O ATOM 611 CB SER A 41 -5.327 9.133 3.740 1.00 4.08 C ATOM 612 OG SER A 41 -4.772 10.275 4.356 1.00 4.87 O ATOM 0 H SER A 41 -4.918 9.714 0.828 1.00 0.66 H new ATOM 0 HA SER A 41 -3.526 8.288 2.939 1.00 1.86 H new ATOM 0 HB2 SER A 41 -6.336 9.360 3.397 1.00 4.08 H new ATOM 0 HB3 SER A 41 -5.412 8.330 4.472 1.00 4.08 H new ATOM 0 HG SER A 41 -5.340 10.551 5.106 1.00 4.87 H new ATOM 618 N LYS A 42 -4.606 7.030 0.703 1.00 0.68 N ATOM 619 CA LYS A 42 -5.258 6.021 -0.124 1.00 0.35 C ATOM 620 C LYS A 42 -4.245 5.120 -0.817 1.00 0.29 C ATOM 621 O LYS A 42 -3.197 5.585 -1.271 1.00 0.55 O ATOM 622 CB LYS A 42 -6.238 6.658 -1.117 1.00 1.23 C ATOM 623 CG LYS A 42 -5.543 7.638 -2.071 1.00 1.90 C ATOM 624 CD LYS A 42 -6.515 8.547 -2.837 1.00 2.50 C ATOM 625 CE LYS A 42 -7.312 9.463 -1.891 1.00 3.46 C ATOM 626 NZ LYS A 42 -7.691 10.742 -2.529 1.00 4.75 N ATOM 0 H LYS A 42 -3.676 7.297 0.381 1.00 0.68 H new ATOM 0 HA LYS A 42 -5.844 5.384 0.538 1.00 0.35 H new ATOM 0 HB2 LYS A 42 -6.726 5.874 -1.696 1.00 1.23 H new ATOM 0 HB3 LYS A 42 -7.020 7.182 -0.567 1.00 1.23 H new ATOM 0 HG2 LYS A 42 -4.852 8.259 -1.500 1.00 1.90 H new ATOM 0 HG3 LYS A 42 -4.947 7.073 -2.787 1.00 1.90 H new ATOM 0 HD2 LYS A 42 -5.958 9.157 -3.548 1.00 2.50 H new ATOM 0 HD3 LYS A 42 -7.206 7.934 -3.416 1.00 2.50 H new ATOM 0 HE2 LYS A 42 -8.212 8.944 -1.561 1.00 3.46 H new ATOM 0 HE3 LYS A 42 -6.717 9.667 -1.001 1.00 3.46 H new ATOM 0 HZ1 LYS A 42 -8.225 11.323 -1.852 1.00 4.75 H new ATOM 0 HZ2 LYS A 42 -6.833 11.252 -2.821 1.00 4.75 H new ATOM 0 HZ3 LYS A 42 -8.282 10.552 -3.364 1.00 4.75 H new ATOM 640 N ILE A 43 -4.590 3.834 -0.886 1.00 0.31 N ATOM 641 CA ILE A 43 -3.772 2.774 -1.453 1.00 0.19 C ATOM 642 C ILE A 43 -4.679 1.762 -2.161 1.00 0.18 C ATOM 643 O ILE A 43 -5.411 1.015 -1.510 1.00 0.22 O ATOM 644 CB ILE A 43 -2.833 2.204 -0.366 1.00 0.27 C ATOM 645 CG1 ILE A 43 -1.778 1.199 -0.866 1.00 0.38 C ATOM 646 CG2 ILE A 43 -3.556 1.680 0.881 1.00 0.34 C ATOM 647 CD1 ILE A 43 -2.311 -0.117 -1.425 1.00 0.72 C ATOM 0 H ILE A 43 -5.484 3.494 -0.533 1.00 0.31 H new ATOM 0 HA ILE A 43 -3.100 3.143 -2.228 1.00 0.19 H new ATOM 0 HB ILE A 43 -2.275 3.089 -0.062 1.00 0.27 H new ATOM 0 HG12 ILE A 43 -1.183 1.684 -1.640 1.00 0.38 H new ATOM 0 HG13 ILE A 43 -1.103 0.972 -0.041 1.00 0.38 H new ATOM 0 HG21 ILE A 43 -2.824 1.298 1.593 1.00 0.34 H new ATOM 0 HG22 ILE A 43 -4.121 2.490 1.341 1.00 0.34 H new ATOM 0 HG23 ILE A 43 -4.238 0.878 0.596 1.00 0.34 H new ATOM 0 HD11 ILE A 43 -1.476 -0.741 -1.745 1.00 0.72 H new ATOM 0 HD12 ILE A 43 -2.878 -0.637 -0.653 1.00 0.72 H new ATOM 0 HD13 ILE A 43 -2.959 0.086 -2.277 1.00 0.72 H new ATOM 659 N THR A 44 -4.657 1.769 -3.499 1.00 0.21 N ATOM 660 CA THR A 44 -5.347 0.805 -4.344 1.00 0.28 C ATOM 661 C THR A 44 -4.488 -0.436 -4.513 1.00 0.28 C ATOM 662 O THR A 44 -3.306 -0.319 -4.831 1.00 0.31 O ATOM 663 CB THR A 44 -5.608 1.392 -5.735 1.00 0.51 C ATOM 664 OG1 THR A 44 -6.134 2.687 -5.643 1.00 0.81 O ATOM 665 CG2 THR A 44 -6.527 0.515 -6.592 1.00 0.48 C ATOM 0 H THR A 44 -4.142 2.469 -4.033 1.00 0.21 H new ATOM 0 HA THR A 44 -6.294 0.556 -3.866 1.00 0.28 H new ATOM 0 HB THR A 44 -4.639 1.429 -6.234 1.00 0.51 H new ATOM 0 HG1 THR A 44 -5.409 3.323 -5.469 1.00 0.81 H new ATOM 0 HG21 THR A 44 -6.674 0.984 -7.565 1.00 0.48 H new ATOM 0 HG22 THR A 44 -6.072 -0.466 -6.727 1.00 0.48 H new ATOM 0 HG23 THR A 44 -7.490 0.402 -6.094 1.00 0.48 H new ATOM 673 N VAL A 45 -5.111 -1.600 -4.363 1.00 0.33 N ATOM 674 CA VAL A 45 -4.560 -2.909 -4.651 1.00 0.40 C ATOM 675 C VAL A 45 -5.494 -3.564 -5.666 1.00 0.45 C ATOM 676 O VAL A 45 -6.721 -3.429 -5.585 1.00 0.46 O ATOM 677 CB VAL A 45 -4.481 -3.699 -3.330 1.00 0.44 C ATOM 678 CG1 VAL A 45 -4.609 -5.221 -3.469 1.00 0.56 C ATOM 679 CG2 VAL A 45 -3.162 -3.394 -2.621 1.00 0.68 C ATOM 0 H VAL A 45 -6.069 -1.652 -4.017 1.00 0.33 H new ATOM 0 HA VAL A 45 -3.554 -2.868 -5.069 1.00 0.40 H new ATOM 0 HB VAL A 45 -5.346 -3.366 -2.756 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -4.541 -5.683 -2.484 1.00 0.56 H new ATOM 0 HG12 VAL A 45 -5.571 -5.466 -3.919 1.00 0.56 H new ATOM 0 HG13 VAL A 45 -3.806 -5.597 -4.103 1.00 0.56 H new ATOM 0 HG21 VAL A 45 -3.112 -3.955 -1.688 1.00 0.68 H new ATOM 0 HG22 VAL A 45 -2.329 -3.682 -3.263 1.00 0.68 H new ATOM 0 HG23 VAL A 45 -3.103 -2.327 -2.406 1.00 0.68 H new ATOM 689 N THR A 46 -4.929 -4.251 -6.655 1.00 0.53 N ATOM 690 CA THR A 46 -5.672 -4.948 -7.679 1.00 0.61 C ATOM 691 C THR A 46 -4.850 -6.141 -8.085 1.00 0.66 C ATOM 692 O THR A 46 -3.646 -6.040 -8.263 1.00 0.95 O ATOM 693 CB THR A 46 -5.884 -4.008 -8.868 1.00 0.66 C ATOM 694 OG1 THR A 46 -6.756 -3.024 -8.398 1.00 0.63 O ATOM 695 CG2 THR A 46 -6.498 -4.684 -10.098 1.00 0.80 C ATOM 0 H THR A 46 -3.918 -4.335 -6.762 1.00 0.53 H new ATOM 0 HA THR A 46 -6.650 -5.270 -7.321 1.00 0.61 H new ATOM 0 HB THR A 46 -4.920 -3.627 -9.206 1.00 0.66 H new ATOM 0 HG1 THR A 46 -6.937 -2.379 -9.113 1.00 0.63 H new ATOM 0 HG21 THR A 46 -6.616 -3.950 -10.896 1.00 0.80 H new ATOM 0 HG22 THR A 46 -5.843 -5.487 -10.437 1.00 0.80 H new ATOM 0 HG23 THR A 46 -7.473 -5.096 -9.838 1.00 0.80 H new ATOM 703 N GLY A 47 -5.501 -7.275 -8.244 1.00 0.54 N ATOM 704 CA GLY A 47 -4.858 -8.459 -8.760 1.00 0.53 C ATOM 705 C GLY A 47 -5.622 -9.641 -8.189 1.00 0.52 C ATOM 706 O GLY A 47 -6.679 -9.980 -8.711 1.00 0.63 O ATOM 0 H GLY A 47 -6.488 -7.399 -8.019 1.00 0.54 H new ATOM 0 HA2 GLY A 47 -4.881 -8.471 -9.850 1.00 0.53 H new ATOM 0 HA3 GLY A 47 -3.810 -8.493 -8.463 1.00 0.53 H new ATOM 710 N GLU A 48 -5.138 -10.185 -7.067 1.00 0.44 N ATOM 711 CA GLU A 48 -5.866 -11.164 -6.275 1.00 0.38 C ATOM 712 C GLU A 48 -5.305 -11.218 -4.840 1.00 0.44 C ATOM 713 O GLU A 48 -5.019 -12.291 -4.313 1.00 0.66 O ATOM 714 CB GLU A 48 -5.863 -12.528 -7.002 1.00 0.42 C ATOM 715 CG GLU A 48 -7.188 -13.283 -6.813 1.00 0.59 C ATOM 716 CD GLU A 48 -7.324 -14.476 -7.751 1.00 1.50 C ATOM 717 OE1 GLU A 48 -6.284 -15.100 -8.049 1.00 2.15 O ATOM 718 OE2 GLU A 48 -8.480 -14.737 -8.156 1.00 2.43 O ATOM 0 H GLU A 48 -4.221 -9.951 -6.686 1.00 0.44 H new ATOM 0 HA GLU A 48 -6.910 -10.869 -6.174 1.00 0.38 H new ATOM 0 HB2 GLU A 48 -5.683 -12.372 -8.066 1.00 0.42 H new ATOM 0 HB3 GLU A 48 -5.041 -13.138 -6.626 1.00 0.42 H new ATOM 0 HG2 GLU A 48 -7.261 -13.627 -5.781 1.00 0.59 H new ATOM 0 HG3 GLU A 48 -8.019 -12.598 -6.980 1.00 0.59 H new ATOM 725 N ALA A 49 -5.143 -10.054 -4.193 1.00 0.39 N ATOM 726 CA ALA A 49 -4.616 -9.959 -2.833 1.00 0.45 C ATOM 727 C ALA A 49 -5.262 -8.814 -2.045 1.00 0.34 C ATOM 728 O ALA A 49 -6.012 -8.019 -2.608 1.00 0.32 O ATOM 729 CB ALA A 49 -3.098 -9.780 -2.892 1.00 0.59 C ATOM 0 H ALA A 49 -5.377 -9.151 -4.605 1.00 0.39 H new ATOM 0 HA ALA A 49 -4.859 -10.882 -2.307 1.00 0.45 H new ATOM 0 HB1 ALA A 49 -2.700 -9.709 -1.880 1.00 0.59 H new ATOM 0 HB2 ALA A 49 -2.650 -10.635 -3.398 1.00 0.59 H new ATOM 0 HB3 ALA A 49 -2.860 -8.868 -3.440 1.00 0.59 H new ATOM 735 N SER A 50 -4.947 -8.739 -0.743 1.00 0.35 N ATOM 736 CA SER A 50 -5.527 -7.811 0.221 1.00 0.34 C ATOM 737 C SER A 50 -4.442 -7.044 0.978 1.00 0.31 C ATOM 738 O SER A 50 -3.282 -7.466 1.000 1.00 0.37 O ATOM 739 CB SER A 50 -6.364 -8.600 1.230 1.00 0.43 C ATOM 740 OG SER A 50 -7.468 -9.193 0.576 1.00 0.58 O ATOM 0 H SER A 50 -4.250 -9.353 -0.322 1.00 0.35 H new ATOM 0 HA SER A 50 -6.144 -7.095 -0.322 1.00 0.34 H new ATOM 0 HB2 SER A 50 -5.752 -9.369 1.701 1.00 0.43 H new ATOM 0 HB3 SER A 50 -6.712 -7.939 2.024 1.00 0.43 H new ATOM 0 HG SER A 50 -8.000 -9.699 1.225 1.00 0.58 H new ATOM 746 N ILE A 51 -4.834 -5.951 1.654 1.00 0.29 N ATOM 747 CA ILE A 51 -3.897 -5.070 2.331 1.00 0.30 C ATOM 748 C ILE A 51 -2.981 -5.800 3.301 1.00 0.36 C ATOM 749 O ILE A 51 -1.869 -5.339 3.489 1.00 0.50 O ATOM 750 CB ILE A 51 -4.598 -3.878 3.012 1.00 0.32 C ATOM 751 CG1 ILE A 51 -3.680 -2.666 3.028 1.00 0.43 C ATOM 752 CG2 ILE A 51 -5.052 -4.184 4.447 1.00 0.35 C ATOM 753 CD1 ILE A 51 -3.532 -1.982 1.661 1.00 1.80 C ATOM 0 H ILE A 51 -5.809 -5.663 1.740 1.00 0.29 H new ATOM 0 HA ILE A 51 -3.259 -4.669 1.543 1.00 0.30 H new ATOM 0 HB ILE A 51 -5.492 -3.673 2.423 1.00 0.32 H new ATOM 0 HG12 ILE A 51 -4.063 -1.941 3.747 1.00 0.43 H new ATOM 0 HG13 ILE A 51 -2.695 -2.973 3.379 1.00 0.43 H new ATOM 0 HG21 ILE A 51 -5.538 -3.305 4.870 1.00 0.35 H new ATOM 0 HG22 ILE A 51 -5.755 -5.017 4.436 1.00 0.35 H new ATOM 0 HG23 ILE A 51 -4.186 -4.447 5.054 1.00 0.35 H new ATOM 0 HD11 ILE A 51 -2.863 -1.127 1.753 1.00 1.80 H new ATOM 0 HD12 ILE A 51 -3.119 -2.690 0.943 1.00 1.80 H new ATOM 0 HD13 ILE A 51 -4.509 -1.643 1.316 1.00 1.80 H new ATOM 765 N GLN A 52 -3.413 -6.919 3.890 1.00 0.36 N ATOM 766 CA GLN A 52 -2.575 -7.802 4.703 1.00 0.41 C ATOM 767 C GLN A 52 -1.121 -7.828 4.205 1.00 0.38 C ATOM 768 O GLN A 52 -0.179 -7.617 4.969 1.00 0.43 O ATOM 769 CB GLN A 52 -3.158 -9.223 4.652 1.00 0.44 C ATOM 770 CG GLN A 52 -4.500 -9.369 5.385 1.00 0.61 C ATOM 771 CD GLN A 52 -4.330 -9.331 6.901 1.00 1.44 C ATOM 772 OE1 GLN A 52 -3.680 -10.197 7.474 1.00 2.04 O ATOM 773 NE2 GLN A 52 -4.914 -8.342 7.569 1.00 2.21 N ATOM 0 H GLN A 52 -4.377 -7.242 3.812 1.00 0.36 H new ATOM 0 HA GLN A 52 -2.568 -7.423 5.725 1.00 0.41 H new ATOM 0 HB2 GLN A 52 -3.290 -9.514 3.610 1.00 0.44 H new ATOM 0 HB3 GLN A 52 -2.439 -9.917 5.088 1.00 0.44 H new ATOM 0 HG2 GLN A 52 -5.171 -8.568 5.075 1.00 0.61 H new ATOM 0 HG3 GLN A 52 -4.970 -10.309 5.096 1.00 0.61 H new ATOM 0 HE21 GLN A 52 -5.450 -7.634 7.067 1.00 2.21 H new ATOM 0 HE22 GLN A 52 -4.827 -8.291 8.584 1.00 2.21 H new ATOM 782 N GLN A 53 -0.940 -8.064 2.903 1.00 0.34 N ATOM 783 CA GLN A 53 0.404 -8.154 2.341 1.00 0.37 C ATOM 784 C GLN A 53 1.114 -6.792 2.349 1.00 0.36 C ATOM 785 O GLN A 53 2.305 -6.691 2.648 1.00 0.36 O ATOM 786 CB GLN A 53 0.341 -8.737 0.927 1.00 0.39 C ATOM 787 CG GLN A 53 -0.403 -10.076 0.872 1.00 0.55 C ATOM 788 CD GLN A 53 -0.252 -10.738 -0.496 1.00 0.99 C ATOM 789 OE1 GLN A 53 -0.296 -10.072 -1.523 1.00 2.49 O ATOM 790 NE2 GLN A 53 -0.070 -12.055 -0.530 1.00 0.94 N ATOM 0 H GLN A 53 -1.695 -8.194 2.230 1.00 0.34 H new ATOM 0 HA GLN A 53 0.993 -8.822 2.969 1.00 0.37 H new ATOM 0 HB2 GLN A 53 -0.153 -8.024 0.266 1.00 0.39 H new ATOM 0 HB3 GLN A 53 1.354 -8.873 0.549 1.00 0.39 H new ATOM 0 HG2 GLN A 53 -0.017 -10.741 1.645 1.00 0.55 H new ATOM 0 HG3 GLN A 53 -1.460 -9.917 1.087 1.00 0.55 H new ATOM 0 HE21 GLN A 53 -0.037 -12.588 0.339 1.00 0.94 H new ATOM 0 HE22 GLN A 53 0.037 -12.532 -1.425 1.00 0.94 H new ATOM 799 N VAL A 54 0.375 -5.735 2.006 1.00 0.38 N ATOM 800 CA VAL A 54 0.894 -4.379 1.931 1.00 0.34 C ATOM 801 C VAL A 54 1.263 -3.878 3.331 1.00 0.33 C ATOM 802 O VAL A 54 2.249 -3.167 3.492 1.00 0.32 O ATOM 803 CB VAL A 54 -0.133 -3.453 1.258 1.00 0.34 C ATOM 804 CG1 VAL A 54 0.455 -2.051 1.049 1.00 0.33 C ATOM 805 CG2 VAL A 54 -0.613 -4.045 -0.073 1.00 0.38 C ATOM 0 H VAL A 54 -0.615 -5.804 1.770 1.00 0.38 H new ATOM 0 HA VAL A 54 1.798 -4.375 1.322 1.00 0.34 H new ATOM 0 HB VAL A 54 -0.995 -3.366 1.920 1.00 0.34 H new ATOM 0 HG11 VAL A 54 -0.288 -1.412 0.572 1.00 0.33 H new ATOM 0 HG12 VAL A 54 0.733 -1.626 2.013 1.00 0.33 H new ATOM 0 HG13 VAL A 54 1.338 -2.118 0.413 1.00 0.33 H new ATOM 0 HG21 VAL A 54 -1.339 -3.372 -0.530 1.00 0.38 H new ATOM 0 HG22 VAL A 54 0.237 -4.171 -0.743 1.00 0.38 H new ATOM 0 HG23 VAL A 54 -1.079 -5.014 0.107 1.00 0.38 H new ATOM 815 N GLU A 55 0.472 -4.245 4.341 1.00 0.37 N ATOM 816 CA GLU A 55 0.719 -3.983 5.742 1.00 0.40 C ATOM 817 C GLU A 55 2.074 -4.591 6.103 1.00 0.28 C ATOM 818 O GLU A 55 2.972 -3.876 6.549 1.00 0.24 O ATOM 819 CB GLU A 55 -0.451 -4.568 6.551 1.00 0.53 C ATOM 820 CG GLU A 55 -0.493 -4.047 7.991 1.00 0.73 C ATOM 821 CD GLU A 55 0.595 -4.635 8.885 1.00 2.24 C ATOM 822 OE1 GLU A 55 0.917 -5.825 8.678 1.00 3.11 O ATOM 823 OE2 GLU A 55 1.071 -3.888 9.764 1.00 3.15 O ATOM 0 H GLU A 55 -0.397 -4.757 4.187 1.00 0.37 H new ATOM 0 HA GLU A 55 0.769 -2.918 5.971 1.00 0.40 H new ATOM 0 HB2 GLU A 55 -1.389 -4.324 6.053 1.00 0.53 H new ATOM 0 HB3 GLU A 55 -0.371 -5.655 6.564 1.00 0.53 H new ATOM 0 HG2 GLU A 55 -0.394 -2.962 7.979 1.00 0.73 H new ATOM 0 HG3 GLU A 55 -1.468 -4.274 8.422 1.00 0.73 H new ATOM 830 N GLN A 56 2.244 -5.890 5.823 1.00 0.31 N ATOM 831 CA GLN A 56 3.490 -6.591 6.095 1.00 0.33 C ATOM 832 C GLN A 56 4.663 -5.848 5.451 1.00 0.32 C ATOM 833 O GLN A 56 5.602 -5.474 6.148 1.00 0.32 O ATOM 834 CB GLN A 56 3.375 -8.063 5.668 1.00 0.42 C ATOM 835 CG GLN A 56 4.500 -8.948 6.230 1.00 0.49 C ATOM 836 CD GLN A 56 5.667 -9.150 5.263 1.00 1.83 C ATOM 837 OE1 GLN A 56 6.093 -8.233 4.574 1.00 3.07 O ATOM 838 NE2 GLN A 56 6.198 -10.368 5.191 1.00 2.76 N ATOM 0 H GLN A 56 1.521 -6.475 5.404 1.00 0.31 H new ATOM 0 HA GLN A 56 3.689 -6.602 7.167 1.00 0.33 H new ATOM 0 HB2 GLN A 56 2.413 -8.456 5.998 1.00 0.42 H new ATOM 0 HB3 GLN A 56 3.386 -8.120 4.580 1.00 0.42 H new ATOM 0 HG2 GLN A 56 4.876 -8.501 7.150 1.00 0.49 H new ATOM 0 HG3 GLN A 56 4.086 -9.921 6.494 1.00 0.49 H new ATOM 0 HE21 GLN A 56 5.830 -11.120 5.773 1.00 2.76 H new ATOM 0 HE22 GLN A 56 6.973 -10.549 4.554 1.00 2.76 H new ATOM 847 N ALA A 57 4.594 -5.569 4.144 1.00 0.37 N ATOM 848 CA ALA A 57 5.602 -4.753 3.477 1.00 0.44 C ATOM 849 C ALA A 57 5.824 -3.429 4.222 1.00 0.42 C ATOM 850 O ALA A 57 6.957 -3.045 4.514 1.00 0.48 O ATOM 851 CB ALA A 57 5.172 -4.492 2.035 1.00 0.51 C ATOM 0 H ALA A 57 3.848 -5.899 3.531 1.00 0.37 H new ATOM 0 HA ALA A 57 6.548 -5.294 3.479 1.00 0.44 H new ATOM 0 HB1 ALA A 57 5.925 -3.882 1.536 1.00 0.51 H new ATOM 0 HB2 ALA A 57 5.067 -5.441 1.509 1.00 0.51 H new ATOM 0 HB3 ALA A 57 4.217 -3.966 2.030 1.00 0.51 H new ATOM 857 N GLY A 58 4.726 -2.753 4.560 1.00 0.37 N ATOM 858 CA GLY A 58 4.678 -1.512 5.299 1.00 0.37 C ATOM 859 C GLY A 58 5.453 -1.561 6.603 1.00 0.43 C ATOM 860 O GLY A 58 5.806 -0.501 7.109 1.00 0.50 O ATOM 0 H GLY A 58 3.796 -3.085 4.305 1.00 0.37 H new ATOM 0 HA2 GLY A 58 5.077 -0.711 4.677 1.00 0.37 H new ATOM 0 HA3 GLY A 58 3.638 -1.263 5.511 1.00 0.37 H new ATOM 864 N ALA A 59 5.769 -2.747 7.137 1.00 0.47 N ATOM 865 CA ALA A 59 6.661 -2.892 8.275 1.00 0.55 C ATOM 866 C ALA A 59 7.943 -2.065 8.136 1.00 0.60 C ATOM 867 O ALA A 59 8.517 -1.710 9.160 1.00 0.72 O ATOM 868 CB ALA A 59 7.003 -4.364 8.512 1.00 0.60 C ATOM 0 H ALA A 59 5.407 -3.633 6.784 1.00 0.47 H new ATOM 0 HA ALA A 59 6.124 -2.504 9.140 1.00 0.55 H new ATOM 0 HB1 ALA A 59 7.672 -4.449 9.369 1.00 0.60 H new ATOM 0 HB2 ALA A 59 6.088 -4.923 8.709 1.00 0.60 H new ATOM 0 HB3 ALA A 59 7.493 -4.771 7.627 1.00 0.60 H new ATOM 874 N PHE A 60 8.388 -1.721 6.918 1.00 0.57 N ATOM 875 CA PHE A 60 9.517 -0.805 6.763 1.00 0.63 C ATOM 876 C PHE A 60 9.328 0.528 7.512 1.00 0.62 C ATOM 877 O PHE A 60 10.317 1.084 7.981 1.00 0.73 O ATOM 878 CB PHE A 60 9.898 -0.610 5.284 1.00 0.65 C ATOM 879 CG PHE A 60 8.896 0.112 4.397 1.00 0.60 C ATOM 880 CD1 PHE A 60 8.746 1.508 4.492 1.00 1.67 C ATOM 881 CD2 PHE A 60 8.226 -0.579 3.370 1.00 2.18 C ATOM 882 CE1 PHE A 60 7.805 2.176 3.689 1.00 1.66 C ATOM 883 CE2 PHE A 60 7.309 0.092 2.544 1.00 2.24 C ATOM 884 CZ PHE A 60 7.082 1.469 2.715 1.00 0.76 C ATOM 0 H PHE A 60 7.988 -2.059 6.043 1.00 0.57 H new ATOM 0 HA PHE A 60 10.368 -1.285 7.247 1.00 0.63 H new ATOM 0 HB2 PHE A 60 10.839 -0.061 5.247 1.00 0.65 H new ATOM 0 HB3 PHE A 60 10.086 -1.593 4.851 1.00 0.65 H new ATOM 0 HD1 PHE A 60 9.356 2.069 5.185 1.00 1.67 H new ATOM 0 HD2 PHE A 60 8.418 -1.631 3.216 1.00 2.18 H new ATOM 0 HE1 PHE A 60 7.638 3.235 3.822 1.00 1.66 H new ATOM 0 HE2 PHE A 60 6.777 -0.451 1.776 1.00 2.24 H new ATOM 0 HZ PHE A 60 6.356 1.980 2.101 1.00 0.76 H new ATOM 894 N GLU A 61 8.092 1.041 7.599 1.00 0.54 N ATOM 895 CA GLU A 61 7.741 2.295 8.282 1.00 0.54 C ATOM 896 C GLU A 61 6.724 2.077 9.423 1.00 0.54 C ATOM 897 O GLU A 61 6.600 2.912 10.313 1.00 0.76 O ATOM 898 CB GLU A 61 7.228 3.288 7.222 1.00 0.56 C ATOM 899 CG GLU A 61 7.004 4.724 7.716 1.00 1.28 C ATOM 900 CD GLU A 61 8.316 5.437 8.004 1.00 1.19 C ATOM 901 OE1 GLU A 61 8.820 6.062 7.046 1.00 1.80 O ATOM 902 OE2 GLU A 61 8.787 5.360 9.155 1.00 2.66 O ATOM 0 H GLU A 61 7.283 0.580 7.183 1.00 0.54 H new ATOM 0 HA GLU A 61 8.626 2.706 8.768 1.00 0.54 H new ATOM 0 HB2 GLU A 61 7.941 3.313 6.398 1.00 0.56 H new ATOM 0 HB3 GLU A 61 6.288 2.910 6.820 1.00 0.56 H new ATOM 0 HG2 GLU A 61 6.445 5.283 6.966 1.00 1.28 H new ATOM 0 HG3 GLU A 61 6.395 4.706 8.620 1.00 1.28 H new ATOM 909 N HIS A 62 5.995 0.955 9.412 1.00 0.48 N ATOM 910 CA HIS A 62 4.947 0.590 10.363 1.00 0.50 C ATOM 911 C HIS A 62 3.672 1.412 10.110 1.00 0.44 C ATOM 912 O HIS A 62 3.170 2.072 11.019 1.00 0.48 O ATOM 913 CB HIS A 62 5.424 0.705 11.827 1.00 0.59 C ATOM 914 CG HIS A 62 6.837 0.263 12.132 1.00 0.66 C ATOM 915 ND1 HIS A 62 7.574 -0.704 11.485 1.00 0.71 N ATOM 916 CD2 HIS A 62 7.639 0.798 13.105 1.00 0.85 C ATOM 917 CE1 HIS A 62 8.784 -0.752 12.068 1.00 0.90 C ATOM 918 NE2 HIS A 62 8.871 0.138 13.067 1.00 1.02 N ATOM 0 H HIS A 62 6.131 0.240 8.698 1.00 0.48 H new ATOM 0 HA HIS A 62 4.706 -0.461 10.200 1.00 0.50 H new ATOM 0 HB2 HIS A 62 5.322 1.746 12.134 1.00 0.59 H new ATOM 0 HB3 HIS A 62 4.746 0.121 12.450 1.00 0.59 H new ATOM 0 HD1 HIS A 62 7.258 -1.280 10.704 1.00 0.71 H new ATOM 0 HD2 HIS A 62 7.367 1.592 13.784 1.00 0.85 H new ATOM 0 HE1 HIS A 62 9.580 -1.419 11.771 1.00 0.90 H new ATOM 926 N LEU A 63 3.128 1.389 8.884 1.00 0.40 N ATOM 927 CA LEU A 63 1.956 2.214 8.589 1.00 0.38 C ATOM 928 C LEU A 63 0.697 1.631 9.232 1.00 0.38 C ATOM 929 O LEU A 63 0.678 0.467 9.626 1.00 0.51 O ATOM 930 CB LEU A 63 1.730 2.380 7.078 1.00 0.37 C ATOM 931 CG LEU A 63 2.884 3.006 6.281 1.00 0.55 C ATOM 932 CD1 LEU A 63 3.679 4.030 7.091 1.00 1.37 C ATOM 933 CD2 LEU A 63 3.843 1.949 5.732 1.00 1.39 C ATOM 0 H LEU A 63 3.470 0.826 8.105 1.00 0.40 H new ATOM 0 HA LEU A 63 2.155 3.198 9.014 1.00 0.38 H new ATOM 0 HB2 LEU A 63 1.515 1.399 6.655 1.00 0.37 H new ATOM 0 HB3 LEU A 63 0.841 2.993 6.931 1.00 0.37 H new ATOM 0 HG LEU A 63 2.407 3.523 5.449 1.00 0.55 H new ATOM 0 HD11 LEU A 63 4.481 4.438 6.475 1.00 1.37 H new ATOM 0 HD12 LEU A 63 3.018 4.837 7.407 1.00 1.37 H new ATOM 0 HD13 LEU A 63 4.106 3.546 7.969 1.00 1.37 H new ATOM 0 HD21 LEU A 63 4.643 2.437 5.176 1.00 1.39 H new ATOM 0 HD22 LEU A 63 4.270 1.381 6.558 1.00 1.39 H new ATOM 0 HD23 LEU A 63 3.300 1.274 5.070 1.00 1.39 H new ATOM 945 N LYS A 64 -0.379 2.428 9.284 1.00 0.43 N ATOM 946 CA LYS A 64 -1.708 1.964 9.657 1.00 0.41 C ATOM 947 C LYS A 64 -2.637 2.233 8.476 1.00 0.57 C ATOM 948 O LYS A 64 -2.747 3.375 8.025 1.00 1.21 O ATOM 949 CB LYS A 64 -2.169 2.563 11.005 1.00 0.36 C ATOM 950 CG LYS A 64 -1.835 4.039 11.280 1.00 0.48 C ATOM 951 CD LYS A 64 -2.901 5.033 10.796 1.00 1.62 C ATOM 952 CE LYS A 64 -3.693 5.688 11.938 1.00 2.61 C ATOM 953 NZ LYS A 64 -4.654 4.759 12.567 1.00 4.13 N ATOM 0 H LYS A 64 -0.343 3.423 9.064 1.00 0.43 H new ATOM 0 HA LYS A 64 -1.715 0.891 9.849 1.00 0.41 H new ATOM 0 HB2 LYS A 64 -3.250 2.445 11.073 1.00 0.36 H new ATOM 0 HB3 LYS A 64 -1.733 1.965 11.805 1.00 0.36 H new ATOM 0 HG2 LYS A 64 -1.692 4.172 12.352 1.00 0.48 H new ATOM 0 HG3 LYS A 64 -0.887 4.280 10.799 1.00 0.48 H new ATOM 0 HD2 LYS A 64 -2.418 5.812 10.206 1.00 1.62 H new ATOM 0 HD3 LYS A 64 -3.595 4.515 10.134 1.00 1.62 H new ATOM 0 HE2 LYS A 64 -2.998 6.054 12.694 1.00 2.61 H new ATOM 0 HE3 LYS A 64 -4.230 6.555 11.553 1.00 2.61 H new ATOM 0 HZ1 LYS A 64 -5.427 5.302 13.003 1.00 4.13 H new ATOM 0 HZ2 LYS A 64 -5.044 4.121 11.844 1.00 4.13 H new ATOM 0 HZ3 LYS A 64 -4.169 4.200 13.297 1.00 4.13 H new ATOM 967 N ILE A 65 -3.256 1.165 7.954 1.00 0.30 N ATOM 968 CA ILE A 65 -4.180 1.202 6.829 1.00 0.31 C ATOM 969 C ILE A 65 -5.515 0.633 7.296 1.00 0.40 C ATOM 970 O ILE A 65 -5.528 -0.329 8.063 1.00 0.66 O ATOM 971 CB ILE A 65 -3.647 0.420 5.608 1.00 0.33 C ATOM 972 CG1 ILE A 65 -2.112 0.408 5.544 1.00 0.36 C ATOM 973 CG2 ILE A 65 -4.325 0.929 4.332 1.00 0.32 C ATOM 974 CD1 ILE A 65 -1.519 -0.104 4.238 1.00 0.59 C ATOM 0 H ILE A 65 -3.118 0.223 8.321 1.00 0.30 H new ATOM 0 HA ILE A 65 -4.298 2.234 6.500 1.00 0.31 H new ATOM 0 HB ILE A 65 -3.915 -0.631 5.715 1.00 0.33 H new ATOM 0 HG12 ILE A 65 -1.750 1.422 5.716 1.00 0.36 H new ATOM 0 HG13 ILE A 65 -1.736 -0.208 6.361 1.00 0.36 H new ATOM 0 HG21 ILE A 65 -3.946 0.375 3.473 1.00 0.32 H new ATOM 0 HG22 ILE A 65 -5.403 0.785 4.410 1.00 0.32 H new ATOM 0 HG23 ILE A 65 -4.109 1.990 4.204 1.00 0.32 H new ATOM 0 HD11 ILE A 65 -0.431 -0.072 4.295 1.00 0.59 H new ATOM 0 HD12 ILE A 65 -1.843 -1.131 4.069 1.00 0.59 H new ATOM 0 HD13 ILE A 65 -1.858 0.524 3.414 1.00 0.59 H new ATOM 986 N ILE A 66 -6.626 1.227 6.855 1.00 0.30 N ATOM 987 CA ILE A 66 -7.973 0.831 7.232 1.00 0.35 C ATOM 988 C ILE A 66 -8.791 0.601 5.951 1.00 0.35 C ATOM 989 O ILE A 66 -8.763 1.450 5.054 1.00 0.32 O ATOM 990 CB ILE A 66 -8.608 1.909 8.137 1.00 0.42 C ATOM 991 CG1 ILE A 66 -7.750 2.184 9.391 1.00 0.53 C ATOM 992 CG2 ILE A 66 -10.006 1.467 8.596 1.00 0.48 C ATOM 993 CD1 ILE A 66 -6.807 3.381 9.222 1.00 1.61 C ATOM 0 H ILE A 66 -6.607 2.016 6.209 1.00 0.30 H new ATOM 0 HA ILE A 66 -7.954 -0.096 7.804 1.00 0.35 H new ATOM 0 HB ILE A 66 -8.672 2.821 7.544 1.00 0.42 H new ATOM 0 HG12 ILE A 66 -8.407 2.364 10.242 1.00 0.53 H new ATOM 0 HG13 ILE A 66 -7.163 1.296 9.624 1.00 0.53 H new ATOM 0 HG21 ILE A 66 -10.440 2.237 9.233 1.00 0.48 H new ATOM 0 HG22 ILE A 66 -10.644 1.314 7.725 1.00 0.48 H new ATOM 0 HG23 ILE A 66 -9.927 0.535 9.156 1.00 0.48 H new ATOM 0 HD11 ILE A 66 -6.232 3.523 10.137 1.00 1.61 H new ATOM 0 HD12 ILE A 66 -6.127 3.194 8.391 1.00 1.61 H new ATOM 0 HD13 ILE A 66 -7.391 4.278 9.018 1.00 1.61 H new ATOM 1005 N PRO A 67 -9.517 -0.527 5.838 1.00 0.43 N ATOM 1006 CA PRO A 67 -10.473 -0.736 4.766 1.00 0.53 C ATOM 1007 C PRO A 67 -11.683 0.170 5.000 1.00 0.60 C ATOM 1008 O PRO A 67 -12.567 -0.185 5.775 1.00 0.76 O ATOM 1009 CB PRO A 67 -10.857 -2.221 4.841 1.00 0.65 C ATOM 1010 CG PRO A 67 -10.658 -2.575 6.315 1.00 0.62 C ATOM 1011 CD PRO A 67 -9.513 -1.663 6.753 1.00 0.51 C ATOM 0 HA PRO A 67 -10.073 -0.494 3.781 1.00 0.53 H new ATOM 0 HB2 PRO A 67 -11.888 -2.384 4.526 1.00 0.65 H new ATOM 0 HB3 PRO A 67 -10.226 -2.831 4.194 1.00 0.65 H new ATOM 0 HG2 PRO A 67 -11.561 -2.392 6.897 1.00 0.62 H new ATOM 0 HG3 PRO A 67 -10.404 -3.627 6.444 1.00 0.62 H new ATOM 0 HD2 PRO A 67 -9.652 -1.333 7.782 1.00 0.51 H new ATOM 0 HD3 PRO A 67 -8.560 -2.190 6.713 1.00 0.51 H new ATOM 1019 N GLU A 68 -11.729 1.331 4.336 1.00 0.62 N ATOM 1020 CA GLU A 68 -12.843 2.256 4.416 1.00 0.77 C ATOM 1021 C GLU A 68 -14.175 1.532 4.200 1.00 1.13 C ATOM 1022 O GLU A 68 -15.122 1.716 4.960 1.00 2.73 O ATOM 1023 CB GLU A 68 -12.632 3.370 3.382 1.00 1.02 C ATOM 1024 CG GLU A 68 -13.437 4.592 3.813 1.00 2.42 C ATOM 1025 CD GLU A 68 -13.303 5.760 2.852 1.00 2.73 C ATOM 1026 OE1 GLU A 68 -13.306 5.513 1.629 1.00 3.06 O ATOM 1027 OE2 GLU A 68 -13.120 6.887 3.366 1.00 3.35 O ATOM 0 H GLU A 68 -10.979 1.650 3.723 1.00 0.62 H new ATOM 0 HA GLU A 68 -12.884 2.696 5.412 1.00 0.77 H new ATOM 0 HB2 GLU A 68 -11.574 3.621 3.307 1.00 1.02 H new ATOM 0 HB3 GLU A 68 -12.951 3.036 2.395 1.00 1.02 H new ATOM 0 HG2 GLU A 68 -14.488 4.317 3.897 1.00 2.42 H new ATOM 0 HG3 GLU A 68 -13.109 4.905 4.804 1.00 2.42 H new ATOM 1034 N LYS A 69 -14.221 0.691 3.161 1.00 1.47 N ATOM 1035 CA LYS A 69 -15.319 -0.212 2.845 1.00 1.87 C ATOM 1036 C LYS A 69 -16.537 0.559 2.328 1.00 2.57 C ATOM 1037 O LYS A 69 -16.894 0.399 1.164 1.00 3.92 O ATOM 1038 CB LYS A 69 -15.605 -1.146 4.037 1.00 2.24 C ATOM 1039 CG LYS A 69 -16.374 -2.425 3.673 1.00 2.88 C ATOM 1040 CD LYS A 69 -17.898 -2.225 3.715 1.00 3.08 C ATOM 1041 CE LYS A 69 -18.664 -3.523 3.420 1.00 3.93 C ATOM 1042 NZ LYS A 69 -18.393 -4.583 4.414 1.00 4.49 N ATOM 0 H LYS A 69 -13.456 0.623 2.490 1.00 1.47 H new ATOM 0 HA LYS A 69 -15.032 -0.865 2.021 1.00 1.87 H new ATOM 0 HB2 LYS A 69 -14.658 -1.425 4.499 1.00 2.24 H new ATOM 0 HB3 LYS A 69 -16.175 -0.595 4.786 1.00 2.24 H new ATOM 0 HG2 LYS A 69 -16.080 -2.751 2.675 1.00 2.88 H new ATOM 0 HG3 LYS A 69 -16.096 -3.222 4.363 1.00 2.88 H new ATOM 0 HD2 LYS A 69 -18.186 -1.851 4.697 1.00 3.08 H new ATOM 0 HD3 LYS A 69 -18.183 -1.464 2.988 1.00 3.08 H new ATOM 0 HE2 LYS A 69 -19.733 -3.313 3.401 1.00 3.93 H new ATOM 0 HE3 LYS A 69 -18.392 -3.883 2.428 1.00 3.93 H new ATOM 0 HZ1 LYS A 69 -19.066 -5.364 4.281 1.00 4.49 H new ATOM 0 HZ2 LYS A 69 -17.423 -4.937 4.289 1.00 4.49 H new ATOM 0 HZ3 LYS A 69 -18.499 -4.195 5.373 1.00 4.49 H new ATOM 1056 N GLU A 70 -17.157 1.381 3.177 1.00 2.92 N ATOM 1057 CA GLU A 70 -18.243 2.287 2.826 1.00 4.03 C ATOM 1058 C GLU A 70 -18.464 3.256 3.991 1.00 5.05 C ATOM 1059 O GLU A 70 -18.439 4.473 3.816 1.00 6.14 O ATOM 1060 CB GLU A 70 -19.524 1.498 2.498 1.00 4.60 C ATOM 1061 CG GLU A 70 -20.615 2.397 1.899 1.00 5.70 C ATOM 1062 CD GLU A 70 -21.880 1.614 1.561 1.00 6.50 C ATOM 1063 OE1 GLU A 70 -21.747 0.405 1.269 1.00 6.70 O ATOM 1064 OE2 GLU A 70 -22.960 2.241 1.602 1.00 7.42 O ATOM 0 H GLU A 70 -16.904 1.433 4.164 1.00 2.92 H new ATOM 0 HA GLU A 70 -17.981 2.855 1.933 1.00 4.03 H new ATOM 0 HB2 GLU A 70 -19.288 0.698 1.796 1.00 4.60 H new ATOM 0 HB3 GLU A 70 -19.901 1.025 3.405 1.00 4.60 H new ATOM 0 HG2 GLU A 70 -20.858 3.191 2.605 1.00 5.70 H new ATOM 0 HG3 GLU A 70 -20.234 2.877 0.998 1.00 5.70 H new ATOM 1071 N ALA A 71 -18.669 2.697 5.185 1.00 5.58 N ATOM 1072 CA ALA A 71 -18.886 3.381 6.441 1.00 7.04 C ATOM 1073 C ALA A 71 -18.628 2.328 7.517 1.00 7.64 C ATOM 1074 O ALA A 71 -18.560 1.137 7.121 1.00 7.62 O ATOM 1075 CB ALA A 71 -20.326 3.899 6.514 1.00 7.98 C ATOM 1076 OXT ALA A 71 -18.513 2.721 8.698 1.00 8.59 O ATOM 0 H ALA A 71 -18.687 1.683 5.297 1.00 5.58 H new ATOM 0 HA ALA A 71 -18.234 4.246 6.563 1.00 7.04 H new ATOM 0 HB1 ALA A 71 -20.480 4.413 7.463 1.00 7.98 H new ATOM 0 HB2 ALA A 71 -20.505 4.593 5.693 1.00 7.98 H new ATOM 0 HB3 ALA A 71 -21.019 3.061 6.438 1.00 7.98 H new TER 1082 ALA A 71