USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 390 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -105:sc= 1.04 USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= -0.0497 (180deg=-0.429) USER MOD Single : A 18 GLN : amide:sc=-0.00385 K(o=-0.0038,f=-1.3!) USER MOD Single : A 24 THR OG1 : rot -66:sc= 0.635 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.132 USER MOD Single : A 32 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.00055) USER MOD Single : A 33 ASN : amide:sc= -0.622 K(o=-0.62,f=-4.9!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc=-0.00988 USER MOD Single : A 50 LYS NZ :NH3+ -134:sc= -0.15 (180deg=-1.03) USER MOD Single : A 51 GLN : amide:sc= -0.505 X(o=-0.5,f=-0.15) USER MOD Single : A 56 SER OG : rot -92:sc= 0.0548 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ALA A 8 -6.417 -6.520 -8.998 1.00 0.39 N ATOM 103 CA ALA A 8 -5.601 -7.168 -7.943 1.00 0.37 C ATOM 104 C ALA A 8 -6.389 -7.267 -6.643 1.00 0.32 C ATOM 105 O ALA A 8 -7.480 -6.740 -6.537 1.00 0.33 O ATOM 106 CB ALA A 8 -4.349 -6.316 -7.698 1.00 0.36 C ATOM 0 HA ALA A 8 -5.329 -8.172 -8.269 1.00 0.37 H new ATOM 0 HB1 ALA A 8 -3.739 -6.781 -6.924 1.00 0.36 H new ATOM 0 HB2 ALA A 8 -3.772 -6.243 -8.620 1.00 0.36 H new ATOM 0 HB3 ALA A 8 -4.646 -5.318 -7.376 1.00 0.36 H new ATOM 112 N VAL A 9 -5.818 -7.939 -5.679 1.00 0.27 N ATOM 113 CA VAL A 9 -6.510 -8.088 -4.375 1.00 0.22 C ATOM 114 C VAL A 9 -5.540 -7.860 -3.230 1.00 0.21 C ATOM 115 O VAL A 9 -4.509 -7.244 -3.388 1.00 0.49 O ATOM 116 CB VAL A 9 -7.084 -9.527 -4.262 1.00 0.30 C ATOM 117 CG1 VAL A 9 -7.558 -9.999 -5.634 1.00 0.32 C ATOM 118 CG2 VAL A 9 -6.025 -10.522 -3.736 1.00 0.38 C ATOM 0 H VAL A 9 -4.905 -8.389 -5.742 1.00 0.27 H new ATOM 0 HA VAL A 9 -7.312 -7.352 -4.319 1.00 0.22 H new ATOM 0 HB VAL A 9 -7.915 -9.497 -3.557 1.00 0.30 H new ATOM 0 HG11 VAL A 9 -7.960 -11.009 -5.552 1.00 0.32 H new ATOM 0 HG12 VAL A 9 -8.334 -9.328 -6.002 1.00 0.32 H new ATOM 0 HG13 VAL A 9 -6.718 -9.998 -6.329 1.00 0.32 H new ATOM 0 HG21 VAL A 9 -6.463 -11.518 -3.670 1.00 0.38 H new ATOM 0 HG22 VAL A 9 -5.175 -10.543 -4.418 1.00 0.38 H new ATOM 0 HG23 VAL A 9 -5.689 -10.207 -2.748 1.00 0.38 H new ATOM 128 N LYS A 10 -5.905 -8.374 -2.107 1.00 0.22 N ATOM 129 CA LYS A 10 -5.059 -8.236 -0.908 1.00 0.12 C ATOM 130 C LYS A 10 -5.484 -9.322 0.085 1.00 0.17 C ATOM 131 O LYS A 10 -6.285 -9.071 0.962 1.00 0.22 O ATOM 132 CB LYS A 10 -5.311 -6.857 -0.294 1.00 0.16 C ATOM 133 CG LYS A 10 -4.328 -6.632 0.866 1.00 0.38 C ATOM 134 CD LYS A 10 -3.312 -5.543 0.497 1.00 1.42 C ATOM 135 CE LYS A 10 -2.548 -5.130 1.757 1.00 0.89 C ATOM 136 NZ LYS A 10 -3.019 -3.802 2.242 1.00 0.60 N ATOM 0 H LYS A 10 -6.770 -8.895 -1.964 1.00 0.22 H new ATOM 0 HA LYS A 10 -4.002 -8.338 -1.154 1.00 0.12 H new ATOM 0 HB2 LYS A 10 -5.185 -6.081 -1.049 1.00 0.16 H new ATOM 0 HB3 LYS A 10 -6.338 -6.788 0.065 1.00 0.16 H new ATOM 0 HG2 LYS A 10 -4.874 -6.341 1.763 1.00 0.38 H new ATOM 0 HG3 LYS A 10 -3.808 -7.562 1.097 1.00 0.38 H new ATOM 0 HD2 LYS A 10 -2.620 -5.914 -0.259 1.00 1.42 H new ATOM 0 HD3 LYS A 10 -3.823 -4.682 0.066 1.00 1.42 H new ATOM 0 HE2 LYS A 10 -2.689 -5.879 2.536 1.00 0.89 H new ATOM 0 HE3 LYS A 10 -1.480 -5.088 1.544 1.00 0.89 H new ATOM 0 HZ1 LYS A 10 -2.490 -3.537 3.097 1.00 0.60 H new ATOM 0 HZ2 LYS A 10 -2.863 -3.087 1.503 1.00 0.60 H new ATOM 0 HZ3 LYS A 10 -4.034 -3.854 2.464 1.00 0.60 H new ATOM 150 N ALA A 11 -4.945 -10.507 -0.084 1.00 0.16 N ATOM 151 CA ALA A 11 -5.304 -11.637 0.831 1.00 0.21 C ATOM 152 C ALA A 11 -5.596 -11.175 2.254 1.00 0.29 C ATOM 153 O ALA A 11 -4.759 -10.590 2.914 1.00 0.30 O ATOM 154 CB ALA A 11 -4.143 -12.625 0.864 1.00 0.13 C ATOM 0 H ALA A 11 -4.273 -10.740 -0.815 1.00 0.16 H new ATOM 0 HA ALA A 11 -6.213 -12.097 0.444 1.00 0.21 H new ATOM 0 HB1 ALA A 11 -4.390 -13.454 1.527 1.00 0.13 H new ATOM 0 HB2 ALA A 11 -3.960 -13.006 -0.141 1.00 0.13 H new ATOM 0 HB3 ALA A 11 -3.248 -12.122 1.230 1.00 0.13 H new ATOM 160 N LEU A 12 -6.793 -11.458 2.694 1.00 0.42 N ATOM 161 CA LEU A 12 -7.195 -11.059 4.066 1.00 0.53 C ATOM 162 C LEU A 12 -6.868 -12.154 5.073 1.00 0.71 C ATOM 163 O LEU A 12 -7.018 -11.964 6.264 1.00 1.19 O ATOM 164 CB LEU A 12 -8.710 -10.829 4.070 1.00 0.58 C ATOM 165 CG LEU A 12 -9.062 -9.754 3.032 1.00 0.26 C ATOM 166 CD1 LEU A 12 -10.580 -9.547 3.039 1.00 0.53 C ATOM 167 CD2 LEU A 12 -8.362 -8.439 3.410 1.00 0.27 C ATOM 0 H LEU A 12 -7.508 -11.949 2.158 1.00 0.42 H new ATOM 0 HA LEU A 12 -6.653 -10.156 4.347 1.00 0.53 H new ATOM 0 HB2 LEU A 12 -9.231 -11.758 3.839 1.00 0.58 H new ATOM 0 HB3 LEU A 12 -9.039 -10.516 5.061 1.00 0.58 H new ATOM 0 HG LEU A 12 -8.734 -10.065 2.040 1.00 0.26 H new ATOM 0 HD11 LEU A 12 -10.847 -8.785 2.306 1.00 0.53 H new ATOM 0 HD12 LEU A 12 -11.076 -10.484 2.786 1.00 0.53 H new ATOM 0 HD13 LEU A 12 -10.899 -9.224 4.030 1.00 0.53 H new ATOM 0 HD21 LEU A 12 -8.608 -7.672 2.676 1.00 0.27 H new ATOM 0 HD22 LEU A 12 -8.697 -8.119 4.396 1.00 0.27 H new ATOM 0 HD23 LEU A 12 -7.283 -8.593 3.426 1.00 0.27 H new ATOM 179 N PHE A 13 -6.432 -13.282 4.586 1.00 0.48 N ATOM 180 CA PHE A 13 -6.096 -14.387 5.519 1.00 0.57 C ATOM 181 C PHE A 13 -4.936 -15.215 4.978 1.00 0.71 C ATOM 182 O PHE A 13 -4.903 -15.571 3.818 1.00 1.67 O ATOM 183 CB PHE A 13 -7.346 -15.265 5.718 1.00 0.56 C ATOM 184 CG PHE A 13 -8.371 -14.456 6.524 1.00 0.22 C ATOM 185 CD1 PHE A 13 -8.059 -14.022 7.803 1.00 1.15 C ATOM 186 CD2 PHE A 13 -9.572 -14.052 5.956 1.00 1.03 C ATOM 187 CE1 PHE A 13 -8.917 -13.193 8.493 1.00 1.55 C ATOM 188 CE2 PHE A 13 -10.424 -13.218 6.647 1.00 1.45 C ATOM 189 CZ PHE A 13 -10.098 -12.791 7.916 1.00 1.47 C ATOM 0 H PHE A 13 -6.296 -13.483 3.595 1.00 0.48 H new ATOM 0 HA PHE A 13 -5.785 -13.973 6.478 1.00 0.57 H new ATOM 0 HB2 PHE A 13 -7.764 -15.557 4.755 1.00 0.56 H new ATOM 0 HB3 PHE A 13 -7.087 -16.183 6.244 1.00 0.56 H new ATOM 0 HD1 PHE A 13 -7.134 -14.337 8.263 1.00 1.15 H new ATOM 0 HD2 PHE A 13 -9.840 -14.393 4.967 1.00 1.03 H new ATOM 0 HE1 PHE A 13 -8.661 -12.859 9.488 1.00 1.55 H new ATOM 0 HE2 PHE A 13 -11.350 -12.898 6.193 1.00 1.45 H new ATOM 0 HZ PHE A 13 -10.770 -12.141 8.457 1.00 1.47 H new ATOM 199 N ASP A 14 -3.996 -15.487 5.840 1.00 0.37 N ATOM 200 CA ASP A 14 -2.815 -16.281 5.420 1.00 0.29 C ATOM 201 C ASP A 14 -3.200 -17.633 4.832 1.00 0.30 C ATOM 202 O ASP A 14 -4.298 -18.108 5.005 1.00 0.59 O ATOM 203 CB ASP A 14 -1.923 -16.515 6.647 1.00 0.21 C ATOM 204 CG ASP A 14 -2.745 -17.159 7.767 1.00 0.66 C ATOM 205 OD1 ASP A 14 -3.832 -16.656 7.999 1.00 1.45 O ATOM 206 OD2 ASP A 14 -2.237 -18.114 8.328 1.00 1.06 O ATOM 0 H ASP A 14 -3.997 -15.192 6.817 1.00 0.37 H new ATOM 0 HA ASP A 14 -2.295 -15.719 4.644 1.00 0.29 H new ATOM 0 HB2 ASP A 14 -1.085 -17.159 6.382 1.00 0.21 H new ATOM 0 HB3 ASP A 14 -1.503 -15.569 6.989 1.00 0.21 H new ATOM 211 N TYR A 15 -2.261 -18.219 4.145 1.00 0.33 N ATOM 212 CA TYR A 15 -2.499 -19.541 3.517 1.00 0.32 C ATOM 213 C TYR A 15 -1.227 -20.377 3.591 1.00 0.30 C ATOM 214 O TYR A 15 -0.172 -19.868 3.919 1.00 0.30 O ATOM 215 CB TYR A 15 -2.833 -19.316 2.039 1.00 0.30 C ATOM 216 CG TYR A 15 -3.645 -20.493 1.518 1.00 0.29 C ATOM 217 CD1 TYR A 15 -3.026 -21.683 1.243 1.00 0.33 C ATOM 218 CD2 TYR A 15 -5.009 -20.405 1.404 1.00 0.31 C ATOM 219 CE1 TYR A 15 -3.740 -22.786 0.889 1.00 0.34 C ATOM 220 CE2 TYR A 15 -5.753 -21.514 1.031 1.00 0.31 C ATOM 221 CZ TYR A 15 -5.120 -22.720 0.775 1.00 0.31 C ATOM 222 OH TYR A 15 -5.850 -23.836 0.417 1.00 0.33 O ATOM 0 H TYR A 15 -1.330 -17.832 3.992 1.00 0.33 H new ATOM 0 HA TYR A 15 -3.312 -20.053 4.032 1.00 0.32 H new ATOM 0 HB2 TYR A 15 -3.396 -18.390 1.919 1.00 0.30 H new ATOM 0 HB3 TYR A 15 -1.916 -19.208 1.460 1.00 0.30 H new ATOM 0 HD1 TYR A 15 -1.950 -21.747 1.308 1.00 0.33 H new ATOM 0 HD2 TYR A 15 -5.506 -19.468 1.606 1.00 0.31 H new ATOM 0 HE1 TYR A 15 -3.229 -23.718 0.696 1.00 0.34 H new ATOM 0 HE2 TYR A 15 -6.826 -21.438 0.940 1.00 0.31 H new ATOM 0 HH TYR A 15 -6.142 -23.751 -0.515 1.00 0.33 H new ATOM 232 N LYS A 16 -1.339 -21.638 3.295 1.00 0.31 N ATOM 233 CA LYS A 16 -0.130 -22.495 3.348 1.00 0.29 C ATOM 234 C LYS A 16 -0.163 -23.676 2.356 1.00 0.28 C ATOM 235 O LYS A 16 -0.040 -24.826 2.732 1.00 0.33 O ATOM 236 CB LYS A 16 0.051 -22.994 4.787 1.00 0.46 C ATOM 237 CG LYS A 16 1.472 -22.648 5.224 1.00 0.99 C ATOM 238 CD LYS A 16 1.741 -23.221 6.618 1.00 1.34 C ATOM 239 CE LYS A 16 3.235 -23.090 6.927 1.00 1.19 C ATOM 240 NZ LYS A 16 4.024 -24.038 6.093 1.00 2.72 N ATOM 0 H LYS A 16 -2.203 -22.107 3.022 1.00 0.31 H new ATOM 0 HA LYS A 16 0.721 -21.887 3.041 1.00 0.29 H new ATOM 0 HB2 LYS A 16 -0.677 -22.525 5.449 1.00 0.46 H new ATOM 0 HB3 LYS A 16 -0.115 -24.070 4.842 1.00 0.46 H new ATOM 0 HG2 LYS A 16 2.190 -23.052 4.510 1.00 0.99 H new ATOM 0 HG3 LYS A 16 1.606 -21.566 5.234 1.00 0.99 H new ATOM 0 HD2 LYS A 16 1.153 -22.687 7.365 1.00 1.34 H new ATOM 0 HD3 LYS A 16 1.437 -24.267 6.661 1.00 1.34 H new ATOM 0 HE2 LYS A 16 3.564 -22.068 6.737 1.00 1.19 H new ATOM 0 HE3 LYS A 16 3.413 -23.291 7.983 1.00 1.19 H new ATOM 0 HZ1 LYS A 16 4.936 -24.230 6.554 1.00 2.72 H new ATOM 0 HZ2 LYS A 16 3.497 -24.928 5.986 1.00 2.72 H new ATOM 0 HZ3 LYS A 16 4.191 -23.620 5.156 1.00 2.72 H new ATOM 254 N ALA A 17 -0.317 -23.359 1.092 1.00 0.26 N ATOM 255 CA ALA A 17 -0.351 -24.436 0.052 1.00 0.36 C ATOM 256 C ALA A 17 0.993 -24.412 -0.603 1.00 0.37 C ATOM 257 O ALA A 17 1.547 -25.423 -0.978 1.00 0.40 O ATOM 258 CB ALA A 17 -1.385 -24.155 -1.049 1.00 0.40 C ATOM 0 H ALA A 17 -0.420 -22.408 0.738 1.00 0.26 H new ATOM 0 HA ALA A 17 -0.607 -25.383 0.527 1.00 0.36 H new ATOM 0 HB1 ALA A 17 -1.370 -24.965 -1.778 1.00 0.40 H new ATOM 0 HB2 ALA A 17 -2.378 -24.084 -0.606 1.00 0.40 H new ATOM 0 HB3 ALA A 17 -1.142 -23.216 -1.546 1.00 0.40 H new ATOM 264 N GLN A 18 1.470 -23.204 -0.682 1.00 0.46 N ATOM 265 CA GLN A 18 2.797 -22.914 -1.294 1.00 0.49 C ATOM 266 C GLN A 18 2.769 -23.124 -2.797 1.00 0.40 C ATOM 267 O GLN A 18 3.225 -22.288 -3.553 1.00 0.46 O ATOM 268 CB GLN A 18 3.872 -23.850 -0.711 1.00 0.55 C ATOM 269 CG GLN A 18 3.806 -23.882 0.824 1.00 2.87 C ATOM 270 CD GLN A 18 4.648 -25.053 1.338 1.00 3.04 C ATOM 271 OE1 GLN A 18 5.318 -25.728 0.580 1.00 3.79 O ATOM 272 NE2 GLN A 18 4.642 -25.329 2.614 1.00 3.46 N ATOM 0 H GLN A 18 0.980 -22.379 -0.337 1.00 0.46 H new ATOM 0 HA GLN A 18 3.031 -21.873 -1.072 1.00 0.49 H new ATOM 0 HB2 GLN A 18 3.734 -24.857 -1.105 1.00 0.55 H new ATOM 0 HB3 GLN A 18 4.860 -23.516 -1.029 1.00 0.55 H new ATOM 0 HG2 GLN A 18 4.177 -22.943 1.236 1.00 2.87 H new ATOM 0 HG3 GLN A 18 2.773 -23.989 1.154 1.00 2.87 H new ATOM 0 HE21 GLN A 18 4.082 -24.767 3.255 1.00 3.46 H new ATOM 0 HE22 GLN A 18 5.197 -26.107 2.970 1.00 3.46 H new ATOM 281 N ARG A 19 2.206 -24.224 -3.197 1.00 0.35 N ATOM 282 CA ARG A 19 2.126 -24.534 -4.644 1.00 0.36 C ATOM 283 C ARG A 19 1.354 -25.830 -4.831 1.00 0.38 C ATOM 284 O ARG A 19 1.933 -26.862 -5.107 1.00 0.21 O ATOM 285 CB ARG A 19 3.560 -24.740 -5.167 1.00 0.27 C ATOM 286 CG ARG A 19 3.563 -24.756 -6.695 1.00 0.52 C ATOM 287 CD ARG A 19 4.969 -25.131 -7.172 1.00 0.36 C ATOM 288 NE ARG A 19 5.135 -26.610 -7.034 1.00 1.55 N ATOM 289 CZ ARG A 19 5.108 -27.386 -8.090 1.00 2.13 C ATOM 290 NH1 ARG A 19 4.684 -26.915 -9.234 1.00 2.29 N ATOM 291 NH2 ARG A 19 5.498 -28.624 -7.959 1.00 3.15 N ATOM 0 H ARG A 19 1.796 -24.925 -2.580 1.00 0.35 H new ATOM 0 HA ARG A 19 1.629 -23.725 -5.179 1.00 0.36 H new ATOM 0 HB2 ARG A 19 4.207 -23.942 -4.802 1.00 0.27 H new ATOM 0 HB3 ARG A 19 3.964 -25.677 -4.785 1.00 0.27 H new ATOM 0 HG2 ARG A 19 2.832 -25.473 -7.068 1.00 0.52 H new ATOM 0 HG3 ARG A 19 3.278 -23.779 -7.085 1.00 0.52 H new ATOM 0 HD2 ARG A 19 5.111 -24.829 -8.210 1.00 0.36 H new ATOM 0 HD3 ARG A 19 5.722 -24.608 -6.582 1.00 0.36 H new ATOM 0 HE ARG A 19 5.271 -27.019 -6.110 1.00 1.55 H new ATOM 0 HH11 ARG A 19 4.375 -25.945 -9.303 1.00 2.29 H new ATOM 0 HH12 ARG A 19 4.662 -27.517 -10.057 1.00 2.29 H new ATOM 0 HH21 ARG A 19 5.814 -28.966 -7.051 1.00 3.15 H new ATOM 0 HH22 ARG A 19 5.487 -29.250 -8.764 1.00 3.15 H new ATOM 305 N GLU A 20 0.059 -25.747 -4.678 1.00 0.61 N ATOM 306 CA GLU A 20 -0.778 -26.986 -4.841 1.00 0.70 C ATOM 307 C GLU A 20 -1.853 -26.744 -5.867 1.00 0.60 C ATOM 308 O GLU A 20 -2.679 -27.587 -6.131 1.00 1.07 O ATOM 309 CB GLU A 20 -1.461 -27.284 -3.495 1.00 0.73 C ATOM 310 CG GLU A 20 -2.820 -26.546 -3.402 1.00 0.67 C ATOM 311 CD GLU A 20 -3.969 -27.411 -3.951 1.00 0.83 C ATOM 312 OE1 GLU A 20 -3.803 -28.621 -3.953 1.00 1.32 O ATOM 313 OE2 GLU A 20 -4.956 -26.805 -4.336 1.00 0.72 O ATOM 0 H GLU A 20 -0.454 -24.895 -4.451 1.00 0.61 H new ATOM 0 HA GLU A 20 -0.147 -27.816 -5.158 1.00 0.70 H new ATOM 0 HB2 GLU A 20 -1.615 -28.358 -3.389 1.00 0.73 H new ATOM 0 HB3 GLU A 20 -0.814 -26.972 -2.675 1.00 0.73 H new ATOM 0 HG2 GLU A 20 -3.023 -26.285 -2.363 1.00 0.67 H new ATOM 0 HG3 GLU A 20 -2.767 -25.612 -3.961 1.00 0.67 H new ATOM 320 N ASP A 21 -1.726 -25.586 -6.421 1.00 0.71 N ATOM 321 CA ASP A 21 -2.630 -25.041 -7.453 1.00 0.57 C ATOM 322 C ASP A 21 -3.168 -23.816 -6.729 1.00 0.79 C ATOM 323 O ASP A 21 -3.932 -23.025 -7.232 1.00 1.94 O ATOM 324 CB ASP A 21 -3.779 -25.998 -7.836 1.00 0.45 C ATOM 325 CG ASP A 21 -3.219 -27.236 -8.543 1.00 0.27 C ATOM 326 OD1 ASP A 21 -2.250 -27.058 -9.262 1.00 0.23 O ATOM 327 OD2 ASP A 21 -3.794 -28.289 -8.322 1.00 0.76 O ATOM 0 H ASP A 21 -0.970 -24.946 -6.178 1.00 0.71 H new ATOM 0 HA ASP A 21 -2.132 -24.852 -8.404 1.00 0.57 H new ATOM 0 HB2 ASP A 21 -4.327 -26.297 -6.942 1.00 0.45 H new ATOM 0 HB3 ASP A 21 -4.487 -25.486 -8.488 1.00 0.45 H new ATOM 332 N GLU A 22 -2.718 -23.767 -5.483 1.00 0.44 N ATOM 333 CA GLU A 22 -3.054 -22.698 -4.525 1.00 0.26 C ATOM 334 C GLU A 22 -1.709 -22.262 -3.933 1.00 0.24 C ATOM 335 O GLU A 22 -0.744 -22.982 -4.101 1.00 0.26 O ATOM 336 CB GLU A 22 -3.928 -23.260 -3.397 1.00 0.45 C ATOM 337 CG GLU A 22 -4.435 -22.116 -2.535 1.00 1.25 C ATOM 338 CD GLU A 22 -5.963 -22.142 -2.530 1.00 1.63 C ATOM 339 OE1 GLU A 22 -6.514 -21.958 -3.602 1.00 2.22 O ATOM 340 OE2 GLU A 22 -6.488 -22.366 -1.456 1.00 2.68 O ATOM 0 H GLU A 22 -2.098 -24.477 -5.093 1.00 0.44 H new ATOM 0 HA GLU A 22 -3.596 -21.881 -5.002 1.00 0.26 H new ATOM 0 HB2 GLU A 22 -4.768 -23.815 -3.815 1.00 0.45 H new ATOM 0 HB3 GLU A 22 -3.353 -23.960 -2.791 1.00 0.45 H new ATOM 0 HG2 GLU A 22 -4.053 -22.211 -1.519 1.00 1.25 H new ATOM 0 HG3 GLU A 22 -4.075 -21.163 -2.923 1.00 1.25 H new ATOM 347 N LEU A 23 -1.632 -21.132 -3.258 1.00 0.23 N ATOM 348 CA LEU A 23 -0.292 -20.737 -2.693 1.00 0.22 C ATOM 349 C LEU A 23 -0.346 -20.490 -1.193 1.00 0.21 C ATOM 350 O LEU A 23 -1.403 -20.433 -0.601 1.00 0.25 O ATOM 351 CB LEU A 23 0.232 -19.443 -3.350 1.00 0.22 C ATOM 352 CG LEU A 23 -0.329 -19.280 -4.766 1.00 0.26 C ATOM 353 CD1 LEU A 23 -1.127 -17.974 -4.948 1.00 0.16 C ATOM 354 CD2 LEU A 23 0.856 -19.295 -5.722 1.00 0.39 C ATOM 0 H LEU A 23 -2.403 -20.489 -3.078 1.00 0.23 H new ATOM 0 HA LEU A 23 0.372 -21.575 -2.903 1.00 0.22 H new ATOM 0 HB2 LEU A 23 -0.049 -18.583 -2.742 1.00 0.22 H new ATOM 0 HB3 LEU A 23 1.321 -19.465 -3.387 1.00 0.22 H new ATOM 0 HG LEU A 23 -1.027 -20.094 -4.965 1.00 0.26 H new ATOM 0 HD11 LEU A 23 -1.499 -17.915 -5.971 1.00 0.16 H new ATOM 0 HD12 LEU A 23 -1.968 -17.962 -4.255 1.00 0.16 H new ATOM 0 HD13 LEU A 23 -0.479 -17.121 -4.748 1.00 0.16 H new ATOM 0 HD21 LEU A 23 0.499 -19.181 -6.746 1.00 0.39 H new ATOM 0 HD22 LEU A 23 1.530 -18.473 -5.479 1.00 0.39 H new ATOM 0 HD23 LEU A 23 1.388 -20.241 -5.627 1.00 0.39 H new ATOM 366 N THR A 24 0.817 -20.320 -0.621 1.00 0.23 N ATOM 367 CA THR A 24 0.910 -20.073 0.830 1.00 0.21 C ATOM 368 C THR A 24 0.964 -18.594 1.056 1.00 0.20 C ATOM 369 O THR A 24 1.479 -18.123 2.049 1.00 0.20 O ATOM 370 CB THR A 24 2.217 -20.671 1.347 1.00 0.21 C ATOM 371 OG1 THR A 24 2.317 -20.251 2.696 1.00 0.23 O ATOM 372 CG2 THR A 24 3.417 -20.009 0.659 1.00 0.19 C ATOM 0 H THR A 24 1.711 -20.344 -1.111 1.00 0.23 H new ATOM 0 HA THR A 24 0.055 -20.516 1.340 1.00 0.21 H new ATOM 0 HB THR A 24 2.219 -21.749 1.188 1.00 0.21 H new ATOM 0 HG1 THR A 24 2.427 -19.278 2.728 1.00 0.23 H new ATOM 0 HG21 THR A 24 4.341 -20.446 1.038 1.00 0.19 H new ATOM 0 HG22 THR A 24 3.354 -20.171 -0.417 1.00 0.19 H new ATOM 0 HG23 THR A 24 3.410 -18.939 0.866 1.00 0.19 H new ATOM 380 N PHE A 25 0.438 -17.895 0.107 1.00 0.20 N ATOM 381 CA PHE A 25 0.434 -16.434 0.219 1.00 0.18 C ATOM 382 C PHE A 25 0.037 -16.021 1.639 1.00 0.24 C ATOM 383 O PHE A 25 -0.726 -16.709 2.289 1.00 0.34 O ATOM 384 CB PHE A 25 -0.529 -15.870 -0.819 1.00 0.16 C ATOM 385 CG PHE A 25 -1.921 -16.476 -0.693 1.00 0.11 C ATOM 386 CD1 PHE A 25 -2.783 -16.068 0.298 1.00 0.13 C ATOM 387 CD2 PHE A 25 -2.368 -17.367 -1.649 1.00 0.17 C ATOM 388 CE1 PHE A 25 -4.081 -16.535 0.321 1.00 0.13 C ATOM 389 CE2 PHE A 25 -3.638 -17.835 -1.636 1.00 0.20 C ATOM 390 CZ PHE A 25 -4.506 -17.421 -0.648 1.00 0.16 C ATOM 0 H PHE A 25 0.012 -18.275 -0.739 1.00 0.20 H new ATOM 0 HA PHE A 25 1.430 -16.034 0.029 1.00 0.18 H new ATOM 0 HB2 PHE A 25 -0.593 -14.788 -0.705 1.00 0.16 H new ATOM 0 HB3 PHE A 25 -0.139 -16.062 -1.818 1.00 0.16 H new ATOM 0 HD1 PHE A 25 -2.443 -15.381 1.059 1.00 0.13 H new ATOM 0 HD2 PHE A 25 -1.690 -17.697 -2.423 1.00 0.17 H new ATOM 0 HE1 PHE A 25 -4.761 -16.209 1.094 1.00 0.13 H new ATOM 0 HE2 PHE A 25 -3.969 -18.528 -2.395 1.00 0.20 H new ATOM 0 HZ PHE A 25 -5.521 -17.791 -0.632 1.00 0.16 H new ATOM 400 N ILE A 26 0.564 -14.918 2.095 1.00 0.24 N ATOM 401 CA ILE A 26 0.228 -14.456 3.473 1.00 0.25 C ATOM 402 C ILE A 26 -0.838 -13.371 3.463 1.00 0.15 C ATOM 403 O ILE A 26 -1.322 -12.984 2.420 1.00 0.41 O ATOM 404 CB ILE A 26 1.494 -13.881 4.118 1.00 0.50 C ATOM 405 CG1 ILE A 26 2.390 -13.243 3.053 1.00 0.35 C ATOM 406 CG2 ILE A 26 2.261 -15.035 4.779 1.00 0.75 C ATOM 407 CD1 ILE A 26 3.587 -12.560 3.726 1.00 0.62 C ATOM 0 H ILE A 26 1.208 -14.320 1.578 1.00 0.24 H new ATOM 0 HA ILE A 26 -0.156 -15.310 4.032 1.00 0.25 H new ATOM 0 HB ILE A 26 1.218 -13.123 4.850 1.00 0.50 H new ATOM 0 HG12 ILE A 26 2.739 -14.003 2.354 1.00 0.35 H new ATOM 0 HG13 ILE A 26 1.822 -12.515 2.474 1.00 0.35 H new ATOM 0 HG21 ILE A 26 3.168 -14.649 5.245 1.00 0.75 H new ATOM 0 HG22 ILE A 26 1.633 -15.502 5.538 1.00 0.75 H new ATOM 0 HG23 ILE A 26 2.528 -15.774 4.024 1.00 0.75 H new ATOM 0 HD11 ILE A 26 4.223 -12.107 2.965 1.00 0.62 H new ATOM 0 HD12 ILE A 26 3.230 -11.788 4.407 1.00 0.62 H new ATOM 0 HD13 ILE A 26 4.161 -13.299 4.285 1.00 0.62 H new ATOM 419 N LYS A 27 -1.188 -12.900 4.633 1.00 0.14 N ATOM 420 CA LYS A 27 -2.220 -11.839 4.699 1.00 0.26 C ATOM 421 C LYS A 27 -1.601 -10.509 4.336 1.00 0.50 C ATOM 422 O LYS A 27 -0.950 -9.888 5.149 1.00 1.22 O ATOM 423 CB LYS A 27 -2.782 -11.735 6.119 1.00 0.46 C ATOM 424 CG LYS A 27 -3.476 -10.363 6.270 1.00 0.46 C ATOM 425 CD LYS A 27 -4.506 -10.402 7.411 1.00 2.77 C ATOM 426 CE LYS A 27 -3.779 -10.219 8.748 1.00 1.92 C ATOM 427 NZ LYS A 27 -4.530 -10.878 9.854 1.00 2.38 N ATOM 0 H LYS A 27 -0.807 -13.203 5.529 1.00 0.14 H new ATOM 0 HA LYS A 27 -3.020 -12.090 4.003 1.00 0.26 H new ATOM 0 HB2 LYS A 27 -3.491 -12.541 6.306 1.00 0.46 H new ATOM 0 HB3 LYS A 27 -1.982 -11.838 6.852 1.00 0.46 H new ATOM 0 HG2 LYS A 27 -2.731 -9.593 6.471 1.00 0.46 H new ATOM 0 HG3 LYS A 27 -3.969 -10.094 5.336 1.00 0.46 H new ATOM 0 HD2 LYS A 27 -5.248 -9.615 7.275 1.00 2.77 H new ATOM 0 HD3 LYS A 27 -5.043 -11.351 7.401 1.00 2.77 H new ATOM 0 HE2 LYS A 27 -2.776 -10.640 8.682 1.00 1.92 H new ATOM 0 HE3 LYS A 27 -3.665 -9.156 8.963 1.00 1.92 H new ATOM 0 HZ1 LYS A 27 -4.020 -10.741 10.750 1.00 2.38 H new ATOM 0 HZ2 LYS A 27 -5.478 -10.458 9.928 1.00 2.38 H new ATOM 0 HZ3 LYS A 27 -4.617 -11.895 9.657 1.00 2.38 H new ATOM 441 N SER A 28 -1.819 -10.136 3.111 1.00 0.25 N ATOM 442 CA SER A 28 -1.295 -8.858 2.568 1.00 0.19 C ATOM 443 C SER A 28 -0.839 -9.092 1.140 1.00 0.14 C ATOM 444 O SER A 28 -0.651 -8.166 0.376 1.00 0.26 O ATOM 445 CB SER A 28 -0.073 -8.366 3.360 1.00 0.20 C ATOM 446 OG SER A 28 0.566 -7.464 2.467 1.00 0.72 O ATOM 0 H SER A 28 -2.358 -10.684 2.441 1.00 0.25 H new ATOM 0 HA SER A 28 -2.089 -8.114 2.632 1.00 0.19 H new ATOM 0 HB2 SER A 28 -0.368 -7.872 4.285 1.00 0.20 H new ATOM 0 HB3 SER A 28 0.585 -9.191 3.635 1.00 0.20 H new ATOM 0 HG SER A 28 1.367 -7.094 2.893 1.00 0.72 H new ATOM 452 N ALA A 29 -0.667 -10.346 0.815 1.00 0.07 N ATOM 453 CA ALA A 29 -0.222 -10.700 -0.551 1.00 0.10 C ATOM 454 C ALA A 29 -1.106 -10.033 -1.584 1.00 0.09 C ATOM 455 O ALA A 29 -2.292 -9.900 -1.378 1.00 0.09 O ATOM 456 CB ALA A 29 -0.337 -12.219 -0.715 1.00 0.16 C ATOM 0 H ALA A 29 -0.817 -11.136 1.442 1.00 0.07 H new ATOM 0 HA ALA A 29 0.806 -10.366 -0.695 1.00 0.10 H new ATOM 0 HB1 ALA A 29 -0.013 -12.502 -1.717 1.00 0.16 H new ATOM 0 HB2 ALA A 29 0.294 -12.714 0.024 1.00 0.16 H new ATOM 0 HB3 ALA A 29 -1.373 -12.523 -0.569 1.00 0.16 H new ATOM 462 N ILE A 30 -0.513 -9.634 -2.675 1.00 0.09 N ATOM 463 CA ILE A 30 -1.295 -8.973 -3.740 1.00 0.11 C ATOM 464 C ILE A 30 -1.187 -9.785 -5.029 1.00 0.14 C ATOM 465 O ILE A 30 -0.163 -9.800 -5.680 1.00 0.17 O ATOM 466 CB ILE A 30 -0.697 -7.590 -3.964 1.00 0.10 C ATOM 467 CG1 ILE A 30 -0.015 -7.098 -2.686 1.00 0.16 C ATOM 468 CG2 ILE A 30 -1.843 -6.629 -4.290 1.00 0.04 C ATOM 469 CD1 ILE A 30 1.374 -7.736 -2.541 1.00 2.42 C ATOM 0 H ILE A 30 0.483 -9.741 -2.869 1.00 0.09 H new ATOM 0 HA ILE A 30 -2.344 -8.898 -3.454 1.00 0.11 H new ATOM 0 HB ILE A 30 0.033 -7.634 -4.772 1.00 0.10 H new ATOM 0 HG12 ILE A 30 0.077 -6.012 -2.710 1.00 0.16 H new ATOM 0 HG13 ILE A 30 -0.629 -7.346 -1.820 1.00 0.16 H new ATOM 0 HG21 ILE A 30 -1.443 -5.629 -4.456 1.00 0.04 H new ATOM 0 HG22 ILE A 30 -2.357 -6.968 -5.189 1.00 0.04 H new ATOM 0 HG23 ILE A 30 -2.546 -6.605 -3.457 1.00 0.04 H new ATOM 0 HD11 ILE A 30 1.846 -7.376 -1.627 1.00 2.42 H new ATOM 0 HD12 ILE A 30 1.273 -8.820 -2.494 1.00 2.42 H new ATOM 0 HD13 ILE A 30 1.990 -7.465 -3.399 1.00 2.42 H new ATOM 481 N ILE A 31 -2.258 -10.437 -5.368 1.00 0.19 N ATOM 482 CA ILE A 31 -2.277 -11.270 -6.602 1.00 0.23 C ATOM 483 C ILE A 31 -2.820 -10.476 -7.802 1.00 0.25 C ATOM 484 O ILE A 31 -3.563 -9.536 -7.616 1.00 0.27 O ATOM 485 CB ILE A 31 -3.181 -12.458 -6.274 1.00 0.25 C ATOM 486 CG1 ILE A 31 -2.651 -13.129 -4.994 1.00 0.21 C ATOM 487 CG2 ILE A 31 -3.132 -13.460 -7.431 1.00 0.32 C ATOM 488 CD1 ILE A 31 -3.589 -14.243 -4.553 1.00 0.21 C ATOM 0 H ILE A 31 -3.131 -10.430 -4.840 1.00 0.19 H new ATOM 0 HA ILE A 31 -1.275 -11.591 -6.885 1.00 0.23 H new ATOM 0 HB ILE A 31 -4.209 -12.126 -6.127 1.00 0.25 H new ATOM 0 HG12 ILE A 31 -1.655 -13.533 -5.173 1.00 0.21 H new ATOM 0 HG13 ILE A 31 -2.556 -12.389 -4.200 1.00 0.21 H new ATOM 0 HG21 ILE A 31 -3.775 -14.310 -7.203 1.00 0.32 H new ATOM 0 HG22 ILE A 31 -3.478 -12.978 -8.345 1.00 0.32 H new ATOM 0 HG23 ILE A 31 -2.108 -13.806 -7.569 1.00 0.32 H new ATOM 0 HD11 ILE A 31 -3.201 -14.708 -3.647 1.00 0.21 H new ATOM 0 HD12 ILE A 31 -4.577 -13.829 -4.354 1.00 0.21 H new ATOM 0 HD13 ILE A 31 -3.662 -14.991 -5.342 1.00 0.21 H new ATOM 500 N GLN A 32 -2.437 -10.863 -9.012 1.00 0.24 N ATOM 501 CA GLN A 32 -2.936 -10.117 -10.221 1.00 0.25 C ATOM 502 C GLN A 32 -3.819 -11.000 -11.105 1.00 0.23 C ATOM 503 O GLN A 32 -3.909 -12.188 -10.886 1.00 0.07 O ATOM 504 CB GLN A 32 -1.721 -9.670 -11.041 1.00 0.27 C ATOM 505 CG GLN A 32 -1.226 -8.319 -10.521 1.00 0.77 C ATOM 506 CD GLN A 32 0.212 -8.100 -10.995 1.00 0.28 C ATOM 507 OE1 GLN A 32 0.509 -7.157 -11.701 1.00 1.28 O ATOM 508 NE2 GLN A 32 1.132 -8.952 -10.632 1.00 2.19 N ATOM 0 H GLN A 32 -1.814 -11.647 -9.207 1.00 0.24 H new ATOM 0 HA GLN A 32 -3.531 -9.268 -9.884 1.00 0.25 H new ATOM 0 HB2 GLN A 32 -0.927 -10.413 -10.969 1.00 0.27 H new ATOM 0 HB3 GLN A 32 -1.989 -9.591 -12.095 1.00 0.27 H new ATOM 0 HG2 GLN A 32 -1.869 -7.517 -10.885 1.00 0.77 H new ATOM 0 HG3 GLN A 32 -1.271 -8.295 -9.432 1.00 0.77 H new ATOM 0 HE21 GLN A 32 0.887 -9.745 -10.039 1.00 2.19 H new ATOM 0 HE22 GLN A 32 2.096 -8.824 -10.941 1.00 2.19 H new ATOM 517 N ASN A 33 -4.436 -10.406 -12.108 1.00 0.48 N ATOM 518 CA ASN A 33 -5.312 -11.217 -13.001 1.00 0.47 C ATOM 519 C ASN A 33 -6.168 -12.108 -12.125 1.00 0.42 C ATOM 520 O ASN A 33 -5.872 -13.265 -11.946 1.00 0.54 O ATOM 521 CB ASN A 33 -4.428 -12.086 -13.903 1.00 0.45 C ATOM 522 CG ASN A 33 -3.516 -11.181 -14.731 1.00 1.38 C ATOM 523 OD1 ASN A 33 -2.683 -10.469 -14.205 1.00 2.16 O ATOM 524 ND2 ASN A 33 -3.640 -11.180 -16.028 1.00 1.86 N ATOM 0 H ASN A 33 -4.368 -9.414 -12.337 1.00 0.48 H new ATOM 0 HA ASN A 33 -5.941 -10.576 -13.619 1.00 0.47 H new ATOM 0 HB2 ASN A 33 -3.831 -12.770 -13.299 1.00 0.45 H new ATOM 0 HB3 ASN A 33 -5.047 -12.698 -14.559 1.00 0.45 H new ATOM 0 HD21 ASN A 33 -3.040 -10.584 -16.597 1.00 1.86 H new ATOM 0 HD22 ASN A 33 -4.338 -11.776 -16.474 1.00 1.86 H new ATOM 531 N VAL A 34 -7.225 -11.551 -11.609 1.00 0.43 N ATOM 532 CA VAL A 34 -8.109 -12.353 -10.729 1.00 0.42 C ATOM 533 C VAL A 34 -9.563 -12.424 -11.201 1.00 0.45 C ATOM 534 O VAL A 34 -10.043 -11.578 -11.927 1.00 0.54 O ATOM 535 CB VAL A 34 -8.026 -11.655 -9.362 1.00 0.56 C ATOM 536 CG1 VAL A 34 -9.012 -12.245 -8.372 1.00 1.35 C ATOM 537 CG2 VAL A 34 -6.605 -11.794 -8.791 1.00 1.55 C ATOM 0 H VAL A 34 -7.512 -10.584 -11.758 1.00 0.43 H new ATOM 0 HA VAL A 34 -7.780 -13.392 -10.715 1.00 0.42 H new ATOM 0 HB VAL A 34 -8.274 -10.604 -9.514 1.00 0.56 H new ATOM 0 HG11 VAL A 34 -8.924 -11.726 -7.418 1.00 1.35 H new ATOM 0 HG12 VAL A 34 -10.026 -12.130 -8.756 1.00 1.35 H new ATOM 0 HG13 VAL A 34 -8.796 -13.304 -8.231 1.00 1.35 H new ATOM 0 HG21 VAL A 34 -6.552 -11.297 -7.822 1.00 1.55 H new ATOM 0 HG22 VAL A 34 -6.363 -12.850 -8.671 1.00 1.55 H new ATOM 0 HG23 VAL A 34 -5.892 -11.333 -9.474 1.00 1.55 H new ATOM 547 N GLU A 35 -10.222 -13.476 -10.754 1.00 0.42 N ATOM 548 CA GLU A 35 -11.650 -13.705 -11.112 1.00 0.49 C ATOM 549 C GLU A 35 -12.180 -14.966 -10.408 1.00 0.47 C ATOM 550 O GLU A 35 -11.747 -16.061 -10.703 1.00 0.46 O ATOM 551 CB GLU A 35 -11.757 -13.919 -12.631 1.00 0.53 C ATOM 552 CG GLU A 35 -12.942 -13.112 -13.173 1.00 0.61 C ATOM 553 CD GLU A 35 -13.145 -13.442 -14.654 1.00 0.83 C ATOM 554 OE1 GLU A 35 -13.425 -14.600 -14.917 1.00 0.80 O ATOM 555 OE2 GLU A 35 -13.009 -12.518 -15.439 1.00 1.35 O ATOM 0 H GLU A 35 -9.817 -14.190 -10.149 1.00 0.42 H new ATOM 0 HA GLU A 35 -12.235 -12.840 -10.800 1.00 0.49 H new ATOM 0 HB2 GLU A 35 -10.835 -13.606 -13.120 1.00 0.53 H new ATOM 0 HB3 GLU A 35 -11.891 -14.978 -12.852 1.00 0.53 H new ATOM 0 HG2 GLU A 35 -13.845 -13.347 -12.609 1.00 0.61 H new ATOM 0 HG3 GLU A 35 -12.757 -12.045 -13.049 1.00 0.61 H new ATOM 562 N LYS A 36 -13.096 -14.787 -9.478 1.00 0.47 N ATOM 563 CA LYS A 36 -13.658 -15.976 -8.753 1.00 0.45 C ATOM 564 C LYS A 36 -13.928 -17.112 -9.723 1.00 0.45 C ATOM 565 O LYS A 36 -13.918 -16.921 -10.923 1.00 0.52 O ATOM 566 CB LYS A 36 -14.973 -15.571 -8.082 1.00 0.44 C ATOM 567 CG LYS A 36 -15.034 -14.048 -7.975 1.00 0.47 C ATOM 568 CD LYS A 36 -16.173 -13.666 -7.031 1.00 0.45 C ATOM 569 CE LYS A 36 -16.416 -12.160 -7.120 1.00 0.36 C ATOM 570 NZ LYS A 36 -17.594 -11.879 -7.989 1.00 0.81 N ATOM 0 H LYS A 36 -13.473 -13.883 -9.194 1.00 0.47 H new ATOM 0 HA LYS A 36 -12.936 -16.311 -8.008 1.00 0.45 H new ATOM 0 HB2 LYS A 36 -15.819 -15.941 -8.661 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -15.043 -16.020 -7.091 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -14.087 -13.658 -7.601 1.00 0.47 H new ATOM 0 HG3 LYS A 36 -15.195 -13.607 -8.959 1.00 0.47 H new ATOM 0 HD2 LYS A 36 -17.080 -14.209 -7.297 1.00 0.45 H new ATOM 0 HD3 LYS A 36 -15.923 -13.946 -6.008 1.00 0.45 H new ATOM 0 HE2 LYS A 36 -16.585 -11.752 -6.123 1.00 0.36 H new ATOM 0 HE3 LYS A 36 -15.532 -11.665 -7.522 1.00 0.36 H new ATOM 0 HZ1 LYS A 36 -17.749 -10.852 -8.042 1.00 0.81 H new ATOM 0 HZ2 LYS A 36 -17.418 -12.252 -8.944 1.00 0.81 H new ATOM 0 HZ3 LYS A 36 -18.438 -12.337 -7.589 1.00 0.81 H new ATOM 623 N GLY A 40 -16.616 -19.905 -5.482 1.00 0.42 N ATOM 624 CA GLY A 40 -15.897 -18.915 -4.629 1.00 0.27 C ATOM 625 C GLY A 40 -14.401 -19.222 -4.578 1.00 0.19 C ATOM 626 O GLY A 40 -13.841 -19.390 -3.514 1.00 0.19 O ATOM 0 HA2 GLY A 40 -16.053 -17.910 -5.022 1.00 0.27 H new ATOM 0 HA3 GLY A 40 -16.310 -18.931 -3.620 1.00 0.27 H new ATOM 630 N TRP A 41 -13.787 -19.299 -5.729 1.00 0.21 N ATOM 631 CA TRP A 41 -12.328 -19.594 -5.771 1.00 0.19 C ATOM 632 C TRP A 41 -11.723 -18.617 -6.746 1.00 0.24 C ATOM 633 O TRP A 41 -12.216 -18.444 -7.835 1.00 0.33 O ATOM 634 CB TRP A 41 -12.132 -21.069 -6.127 1.00 0.21 C ATOM 635 CG TRP A 41 -12.677 -21.794 -4.897 1.00 0.20 C ATOM 636 CD1 TRP A 41 -13.990 -21.998 -4.691 1.00 0.18 C ATOM 637 CD2 TRP A 41 -12.028 -21.906 -3.728 1.00 0.22 C ATOM 638 NE1 TRP A 41 -14.087 -22.194 -3.376 1.00 0.19 N ATOM 639 CE2 TRP A 41 -12.921 -22.143 -2.697 1.00 0.21 C ATOM 640 CE3 TRP A 41 -10.680 -21.799 -3.456 1.00 0.23 C ATOM 641 CZ2 TRP A 41 -12.473 -22.237 -1.394 1.00 0.21 C ATOM 642 CZ3 TRP A 41 -10.227 -21.909 -2.155 1.00 0.23 C ATOM 643 CH2 TRP A 41 -11.132 -22.126 -1.116 1.00 0.22 C ATOM 0 H TRP A 41 -14.232 -19.171 -6.638 1.00 0.21 H new ATOM 0 HA TRP A 41 -11.822 -19.462 -4.815 1.00 0.19 H new ATOM 0 HB2 TRP A 41 -12.677 -21.342 -7.031 1.00 0.21 H new ATOM 0 HB3 TRP A 41 -11.083 -21.306 -6.303 1.00 0.21 H new ATOM 0 HD1 TRP A 41 -14.784 -22.002 -5.423 1.00 0.18 H new ATOM 0 HE1 TRP A 41 -14.980 -22.370 -2.915 1.00 0.19 H new ATOM 0 HE3 TRP A 41 -9.979 -21.629 -4.260 1.00 0.23 H new ATOM 0 HZ2 TRP A 41 -13.178 -22.398 -0.592 1.00 0.21 H new ATOM 0 HZ3 TRP A 41 -9.171 -21.827 -1.943 1.00 0.23 H new ATOM 0 HH2 TRP A 41 -10.780 -22.206 -0.098 1.00 0.22 H new ATOM 654 N TRP A 42 -10.665 -17.995 -6.324 1.00 0.21 N ATOM 655 CA TRP A 42 -10.001 -16.997 -7.181 1.00 0.25 C ATOM 656 C TRP A 42 -8.702 -17.429 -7.851 1.00 0.25 C ATOM 657 O TRP A 42 -7.892 -18.073 -7.242 1.00 0.61 O ATOM 658 CB TRP A 42 -9.614 -15.897 -6.209 1.00 0.25 C ATOM 659 CG TRP A 42 -10.858 -15.317 -5.547 1.00 0.27 C ATOM 660 CD1 TRP A 42 -11.893 -16.051 -5.108 1.00 0.27 C ATOM 661 CD2 TRP A 42 -11.153 -14.035 -5.495 1.00 0.27 C ATOM 662 NE1 TRP A 42 -12.816 -15.134 -4.858 1.00 0.27 N ATOM 663 CE2 TRP A 42 -12.443 -13.860 -5.062 1.00 0.27 C ATOM 664 CE3 TRP A 42 -10.346 -12.954 -5.732 1.00 0.27 C ATOM 665 CZ2 TRP A 42 -12.950 -12.601 -4.883 1.00 0.27 C ATOM 666 CZ3 TRP A 42 -10.852 -11.683 -5.549 1.00 0.26 C ATOM 667 CH2 TRP A 42 -12.157 -11.508 -5.128 1.00 0.26 C ATOM 0 H TRP A 42 -10.231 -18.140 -5.412 1.00 0.21 H new ATOM 0 HA TRP A 42 -10.684 -16.751 -7.994 1.00 0.25 H new ATOM 0 HB2 TRP A 42 -8.940 -16.294 -5.449 1.00 0.25 H new ATOM 0 HB3 TRP A 42 -9.073 -15.110 -6.735 1.00 0.25 H new ATOM 0 HD1 TRP A 42 -11.957 -17.122 -4.988 1.00 0.27 H new ATOM 0 HE1 TRP A 42 -13.750 -15.380 -4.531 1.00 0.27 H new ATOM 0 HE3 TRP A 42 -9.326 -13.094 -6.058 1.00 0.27 H new ATOM 0 HZ2 TRP A 42 -13.969 -12.469 -4.551 1.00 0.27 H new ATOM 0 HZ3 TRP A 42 -10.226 -10.823 -5.735 1.00 0.26 H new ATOM 0 HH2 TRP A 42 -12.552 -10.512 -4.992 1.00 0.26 H new ATOM 678 N ARG A 43 -8.508 -16.998 -9.081 1.00 0.14 N ATOM 679 CA ARG A 43 -7.256 -17.365 -9.812 1.00 0.17 C ATOM 680 C ARG A 43 -6.387 -16.123 -9.964 1.00 0.21 C ATOM 681 O ARG A 43 -6.780 -15.057 -9.556 1.00 0.22 O ATOM 682 CB ARG A 43 -7.585 -17.853 -11.216 1.00 0.22 C ATOM 683 CG ARG A 43 -6.952 -19.231 -11.429 1.00 0.17 C ATOM 684 CD ARG A 43 -7.180 -19.686 -12.876 1.00 0.27 C ATOM 685 NE ARG A 43 -6.056 -20.577 -13.282 1.00 1.34 N ATOM 686 CZ ARG A 43 -6.052 -21.101 -14.478 1.00 1.60 C ATOM 687 NH1 ARG A 43 -7.157 -21.112 -15.171 1.00 1.35 N ATOM 688 NH2 ARG A 43 -4.940 -21.600 -14.940 1.00 2.18 N ATOM 0 H ARG A 43 -9.160 -16.413 -9.603 1.00 0.14 H new ATOM 0 HA ARG A 43 -6.746 -18.147 -9.249 1.00 0.17 H new ATOM 0 HB2 ARG A 43 -8.665 -17.911 -11.351 1.00 0.22 H new ATOM 0 HB3 ARG A 43 -7.209 -17.148 -11.957 1.00 0.22 H new ATOM 0 HG2 ARG A 43 -5.884 -19.188 -11.215 1.00 0.17 H new ATOM 0 HG3 ARG A 43 -7.387 -19.953 -10.738 1.00 0.17 H new ATOM 0 HD2 ARG A 43 -8.130 -20.214 -12.960 1.00 0.27 H new ATOM 0 HD3 ARG A 43 -7.236 -18.823 -13.539 1.00 0.27 H new ATOM 0 HE ARG A 43 -5.296 -20.776 -12.631 1.00 1.34 H new ATOM 0 HH11 ARG A 43 -8.010 -20.714 -14.777 1.00 1.35 H new ATOM 0 HH12 ARG A 43 -7.168 -21.518 -16.107 1.00 1.35 H new ATOM 0 HH21 ARG A 43 -4.095 -21.576 -14.370 1.00 2.18 H new ATOM 0 HH22 ARG A 43 -4.915 -22.014 -15.872 1.00 2.18 H new ATOM 702 N GLY A 44 -5.217 -16.276 -10.539 1.00 0.24 N ATOM 703 CA GLY A 44 -4.308 -15.103 -10.724 1.00 0.31 C ATOM 704 C GLY A 44 -2.885 -15.452 -10.258 1.00 0.29 C ATOM 705 O GLY A 44 -2.680 -16.284 -9.397 1.00 0.33 O ATOM 0 H GLY A 44 -4.854 -17.163 -10.888 1.00 0.24 H new ATOM 0 HA2 GLY A 44 -4.292 -14.808 -11.773 1.00 0.31 H new ATOM 0 HA3 GLY A 44 -4.684 -14.250 -10.159 1.00 0.31 H new ATOM 709 N ASP A 45 -1.949 -14.810 -10.874 1.00 0.25 N ATOM 710 CA ASP A 45 -0.505 -15.034 -10.545 1.00 0.25 C ATOM 711 C ASP A 45 -0.042 -14.390 -9.235 1.00 0.33 C ATOM 712 O ASP A 45 -0.313 -13.236 -8.974 1.00 0.79 O ATOM 713 CB ASP A 45 0.316 -14.403 -11.667 1.00 0.37 C ATOM 714 CG ASP A 45 -0.061 -12.925 -11.804 1.00 1.61 C ATOM 715 OD1 ASP A 45 -1.249 -12.660 -11.735 1.00 2.05 O ATOM 716 OD2 ASP A 45 0.861 -12.146 -11.974 1.00 2.47 O ATOM 0 H ASP A 45 -2.115 -14.122 -11.609 1.00 0.25 H new ATOM 0 HA ASP A 45 -0.369 -16.110 -10.437 1.00 0.25 H new ATOM 0 HB2 ASP A 45 1.380 -14.500 -11.452 1.00 0.37 H new ATOM 0 HB3 ASP A 45 0.131 -14.925 -12.606 1.00 0.37 H new ATOM 721 N TYR A 46 0.708 -15.151 -8.466 1.00 0.37 N ATOM 722 CA TYR A 46 1.223 -14.626 -7.168 1.00 0.36 C ATOM 723 C TYR A 46 2.725 -14.880 -7.058 1.00 0.55 C ATOM 724 O TYR A 46 3.431 -14.160 -6.379 1.00 1.84 O ATOM 725 CB TYR A 46 0.506 -15.344 -6.008 1.00 0.12 C ATOM 726 CG TYR A 46 0.929 -14.673 -4.694 1.00 0.07 C ATOM 727 CD1 TYR A 46 0.931 -13.290 -4.592 1.00 0.07 C ATOM 728 CD2 TYR A 46 1.475 -15.413 -3.654 1.00 0.10 C ATOM 729 CE1 TYR A 46 1.481 -12.670 -3.518 1.00 0.09 C ATOM 730 CE2 TYR A 46 2.030 -14.773 -2.573 1.00 0.16 C ATOM 731 CZ TYR A 46 2.037 -13.396 -2.493 1.00 0.16 C ATOM 732 OH TYR A 46 2.604 -12.757 -1.408 1.00 0.24 O ATOM 0 H TYR A 46 0.982 -16.109 -8.685 1.00 0.37 H new ATOM 0 HA TYR A 46 1.034 -13.554 -7.119 1.00 0.36 H new ATOM 0 HB2 TYR A 46 -0.575 -15.285 -6.134 1.00 0.12 H new ATOM 0 HB3 TYR A 46 0.768 -16.402 -5.996 1.00 0.12 H new ATOM 0 HD1 TYR A 46 0.488 -12.698 -5.379 1.00 0.07 H new ATOM 0 HD2 TYR A 46 1.463 -16.492 -3.695 1.00 0.10 H new ATOM 0 HE1 TYR A 46 1.482 -11.591 -3.468 1.00 0.09 H new ATOM 0 HE2 TYR A 46 2.467 -15.355 -1.775 1.00 0.16 H new ATOM 0 HH TYR A 46 2.948 -13.424 -0.778 1.00 0.24 H new ATOM 778 N LYS A 50 1.529 -19.028 -12.673 1.00 0.48 N ATOM 779 CA LYS A 50 0.556 -18.096 -13.295 1.00 0.45 C ATOM 780 C LYS A 50 -0.888 -18.578 -13.215 1.00 0.38 C ATOM 781 O LYS A 50 -1.308 -19.416 -13.982 1.00 0.35 O ATOM 782 CB LYS A 50 0.924 -17.920 -14.769 1.00 0.52 C ATOM 783 CG LYS A 50 0.321 -16.594 -15.253 1.00 0.59 C ATOM 784 CD LYS A 50 -0.069 -16.679 -16.736 1.00 0.68 C ATOM 785 CE LYS A 50 1.193 -16.588 -17.596 1.00 1.55 C ATOM 786 NZ LYS A 50 1.876 -15.279 -17.382 1.00 0.44 N ATOM 0 HA LYS A 50 0.614 -17.160 -12.739 1.00 0.45 H new ATOM 0 HB2 LYS A 50 2.007 -17.914 -14.893 1.00 0.52 H new ATOM 0 HB3 LYS A 50 0.540 -18.752 -15.360 1.00 0.52 H new ATOM 0 HG2 LYS A 50 -0.557 -16.349 -14.655 1.00 0.59 H new ATOM 0 HG3 LYS A 50 1.040 -15.788 -15.107 1.00 0.59 H new ATOM 0 HD2 LYS A 50 -0.591 -17.615 -16.934 1.00 0.68 H new ATOM 0 HD3 LYS A 50 -0.755 -15.871 -16.990 1.00 0.68 H new ATOM 0 HE2 LYS A 50 1.871 -17.404 -17.346 1.00 1.55 H new ATOM 0 HE3 LYS A 50 0.932 -16.702 -18.648 1.00 1.55 H new ATOM 0 HZ1 LYS A 50 2.141 -14.871 -18.301 1.00 0.44 H new ATOM 0 HZ2 LYS A 50 1.233 -14.629 -16.887 1.00 0.44 H new ATOM 0 HZ3 LYS A 50 2.731 -15.423 -16.808 1.00 0.44 H new ATOM 800 N GLN A 51 -1.595 -18.026 -12.263 1.00 0.36 N ATOM 801 CA GLN A 51 -3.035 -18.373 -12.044 1.00 0.30 C ATOM 802 C GLN A 51 -3.264 -19.633 -11.220 1.00 0.11 C ATOM 803 O GLN A 51 -3.647 -20.661 -11.740 1.00 0.26 O ATOM 804 CB GLN A 51 -3.771 -18.515 -13.391 1.00 0.45 C ATOM 805 CG GLN A 51 -3.355 -17.377 -14.338 1.00 0.64 C ATOM 806 CD GLN A 51 -4.596 -16.620 -14.827 1.00 0.63 C ATOM 807 OE1 GLN A 51 -4.567 -15.416 -14.994 1.00 1.52 O ATOM 808 NE2 GLN A 51 -5.700 -17.274 -15.069 1.00 2.31 N ATOM 0 H GLN A 51 -1.227 -17.332 -11.612 1.00 0.36 H new ATOM 0 HA GLN A 51 -3.438 -17.542 -11.465 1.00 0.30 H new ATOM 0 HB2 GLN A 51 -3.538 -19.479 -13.843 1.00 0.45 H new ATOM 0 HB3 GLN A 51 -4.849 -18.491 -13.231 1.00 0.45 H new ATOM 0 HG2 GLN A 51 -2.681 -16.692 -13.823 1.00 0.64 H new ATOM 0 HG3 GLN A 51 -2.808 -17.783 -15.189 1.00 0.64 H new ATOM 0 HE21 GLN A 51 -5.735 -18.284 -14.932 1.00 2.31 H new ATOM 0 HE22 GLN A 51 -6.528 -16.775 -15.395 1.00 2.31 H new ATOM 817 N LEU A 52 -3.024 -19.519 -9.940 1.00 0.15 N ATOM 818 CA LEU A 52 -3.227 -20.684 -9.039 1.00 0.30 C ATOM 819 C LEU A 52 -4.614 -20.493 -8.420 1.00 0.32 C ATOM 820 O LEU A 52 -5.529 -20.152 -9.140 1.00 0.55 O ATOM 821 CB LEU A 52 -2.117 -20.690 -7.947 1.00 0.51 C ATOM 822 CG LEU A 52 -0.714 -21.065 -8.518 1.00 0.30 C ATOM 823 CD1 LEU A 52 -0.024 -22.026 -7.543 1.00 0.40 C ATOM 824 CD2 LEU A 52 -0.763 -21.749 -9.894 1.00 0.29 C ATOM 0 H LEU A 52 -2.696 -18.668 -9.483 1.00 0.15 H new ATOM 0 HA LEU A 52 -3.167 -21.637 -9.565 1.00 0.30 H new ATOM 0 HB2 LEU A 52 -2.065 -19.705 -7.482 1.00 0.51 H new ATOM 0 HB3 LEU A 52 -2.387 -21.398 -7.164 1.00 0.51 H new ATOM 0 HG LEU A 52 -0.172 -20.127 -8.639 1.00 0.30 H new ATOM 0 HD11 LEU A 52 0.958 -22.295 -7.932 1.00 0.40 H new ATOM 0 HD12 LEU A 52 0.090 -21.541 -6.573 1.00 0.40 H new ATOM 0 HD13 LEU A 52 -0.629 -22.926 -7.430 1.00 0.40 H new ATOM 0 HD21 LEU A 52 0.251 -21.978 -10.223 1.00 0.29 H new ATOM 0 HD22 LEU A 52 -1.338 -22.672 -9.821 1.00 0.29 H new ATOM 0 HD23 LEU A 52 -1.236 -21.082 -10.615 1.00 0.29 H new ATOM 836 N TRP A 53 -4.780 -20.705 -7.139 1.00 0.12 N ATOM 837 CA TRP A 53 -6.156 -20.504 -6.574 1.00 0.14 C ATOM 838 C TRP A 53 -6.162 -19.900 -5.193 1.00 0.18 C ATOM 839 O TRP A 53 -5.288 -20.155 -4.409 1.00 0.19 O ATOM 840 CB TRP A 53 -6.856 -21.843 -6.453 1.00 0.21 C ATOM 841 CG TRP A 53 -7.297 -22.260 -7.842 1.00 0.25 C ATOM 842 CD1 TRP A 53 -6.719 -23.239 -8.525 1.00 0.35 C ATOM 843 CD2 TRP A 53 -8.252 -21.675 -8.571 1.00 0.27 C ATOM 844 NE1 TRP A 53 -7.364 -23.230 -9.694 1.00 0.38 N ATOM 845 CE2 TRP A 53 -8.330 -22.283 -9.811 1.00 0.28 C ATOM 846 CE3 TRP A 53 -9.052 -20.580 -8.293 1.00 0.33 C ATOM 847 CZ2 TRP A 53 -9.204 -21.801 -10.766 1.00 0.24 C ATOM 848 CZ3 TRP A 53 -9.916 -20.093 -9.258 1.00 0.33 C ATOM 849 CH2 TRP A 53 -9.988 -20.710 -10.494 1.00 0.23 C ATOM 0 H TRP A 53 -4.058 -20.997 -6.480 1.00 0.12 H new ATOM 0 HA TRP A 53 -6.656 -19.821 -7.261 1.00 0.14 H new ATOM 0 HB2 TRP A 53 -6.185 -22.588 -6.025 1.00 0.21 H new ATOM 0 HB3 TRP A 53 -7.715 -21.767 -5.786 1.00 0.21 H new ATOM 0 HD1 TRP A 53 -5.916 -23.890 -8.210 1.00 0.35 H new ATOM 0 HE1 TRP A 53 -7.147 -23.886 -10.444 1.00 0.38 H new ATOM 0 HE3 TRP A 53 -9.002 -20.106 -7.324 1.00 0.33 H new ATOM 0 HZ2 TRP A 53 -9.270 -22.285 -11.729 1.00 0.24 H new ATOM 0 HZ3 TRP A 53 -10.533 -19.232 -9.046 1.00 0.33 H new ATOM 0 HH2 TRP A 53 -10.664 -20.331 -11.247 1.00 0.23 H new ATOM 860 N PHE A 54 -7.142 -19.076 -4.938 1.00 0.19 N ATOM 861 CA PHE A 54 -7.225 -18.448 -3.599 1.00 0.24 C ATOM 862 C PHE A 54 -8.708 -18.371 -3.165 1.00 0.22 C ATOM 863 O PHE A 54 -9.530 -17.855 -3.885 1.00 0.22 O ATOM 864 CB PHE A 54 -6.661 -17.006 -3.602 1.00 0.27 C ATOM 865 CG PHE A 54 -6.066 -16.604 -4.934 1.00 0.23 C ATOM 866 CD1 PHE A 54 -5.003 -17.287 -5.460 1.00 0.20 C ATOM 867 CD2 PHE A 54 -6.620 -15.551 -5.644 1.00 0.24 C ATOM 868 CE1 PHE A 54 -4.509 -16.947 -6.684 1.00 0.19 C ATOM 869 CE2 PHE A 54 -6.137 -15.204 -6.858 1.00 0.23 C ATOM 870 CZ PHE A 54 -5.066 -15.912 -7.390 1.00 0.21 C ATOM 0 H PHE A 54 -7.879 -18.816 -5.594 1.00 0.19 H new ATOM 0 HA PHE A 54 -6.636 -19.058 -2.914 1.00 0.24 H new ATOM 0 HB2 PHE A 54 -7.458 -16.310 -3.342 1.00 0.27 H new ATOM 0 HB3 PHE A 54 -5.898 -16.919 -2.829 1.00 0.27 H new ATOM 0 HD1 PHE A 54 -4.555 -18.097 -4.904 1.00 0.20 H new ATOM 0 HD2 PHE A 54 -7.448 -15.001 -5.222 1.00 0.24 H new ATOM 0 HE1 PHE A 54 -3.676 -17.495 -7.099 1.00 0.19 H new ATOM 0 HE2 PHE A 54 -6.578 -14.386 -7.408 1.00 0.23 H new ATOM 0 HZ PHE A 54 -4.672 -15.647 -8.360 1.00 0.21 H new ATOM 880 N PRO A 55 -9.041 -18.889 -2.007 1.00 0.21 N ATOM 881 CA PRO A 55 -10.430 -18.856 -1.520 1.00 0.21 C ATOM 882 C PRO A 55 -11.054 -17.475 -1.512 1.00 0.25 C ATOM 883 O PRO A 55 -10.400 -16.484 -1.266 1.00 0.38 O ATOM 884 CB PRO A 55 -10.326 -19.294 -0.073 1.00 0.19 C ATOM 885 CG PRO A 55 -8.932 -19.955 0.114 1.00 0.18 C ATOM 886 CD PRO A 55 -8.093 -19.538 -1.079 1.00 0.20 C ATOM 0 HA PRO A 55 -11.049 -19.475 -2.169 1.00 0.21 H new ATOM 0 HB2 PRO A 55 -10.439 -18.440 0.595 1.00 0.19 H new ATOM 0 HB3 PRO A 55 -11.121 -19.998 0.173 1.00 0.19 H new ATOM 0 HG2 PRO A 55 -8.470 -19.629 1.046 1.00 0.18 H new ATOM 0 HG3 PRO A 55 -9.021 -21.040 0.165 1.00 0.18 H new ATOM 0 HD2 PRO A 55 -7.299 -18.852 -0.783 1.00 0.20 H new ATOM 0 HD3 PRO A 55 -7.613 -20.399 -1.544 1.00 0.20 H new ATOM 894 N SER A 56 -12.328 -17.463 -1.761 1.00 0.20 N ATOM 895 CA SER A 56 -13.068 -16.191 -1.775 1.00 0.21 C ATOM 896 C SER A 56 -13.399 -15.929 -0.325 1.00 0.22 C ATOM 897 O SER A 56 -14.059 -14.977 0.038 1.00 0.32 O ATOM 898 CB SER A 56 -14.366 -16.377 -2.569 1.00 0.20 C ATOM 899 OG SER A 56 -15.155 -17.227 -1.744 1.00 0.28 O ATOM 0 H SER A 56 -12.889 -18.292 -1.957 1.00 0.20 H new ATOM 0 HA SER A 56 -12.503 -15.376 -2.228 1.00 0.21 H new ATOM 0 HB2 SER A 56 -14.863 -15.424 -2.751 1.00 0.20 H new ATOM 0 HB3 SER A 56 -14.177 -16.829 -3.543 1.00 0.20 H new ATOM 0 HG SER A 56 -15.005 -18.161 -1.999 1.00 0.28 H new ATOM 905 N ASN A 57 -12.879 -16.830 0.473 1.00 0.14 N ATOM 906 CA ASN A 57 -13.069 -16.781 1.920 1.00 0.14 C ATOM 907 C ASN A 57 -11.806 -16.224 2.506 1.00 0.19 C ATOM 908 O ASN A 57 -11.790 -15.687 3.597 1.00 0.46 O ATOM 909 CB ASN A 57 -13.212 -18.223 2.431 1.00 0.23 C ATOM 910 CG ASN A 57 -14.667 -18.487 2.829 1.00 0.20 C ATOM 911 OD1 ASN A 57 -15.421 -19.088 2.092 1.00 0.90 O ATOM 912 ND2 ASN A 57 -15.101 -18.053 3.982 1.00 0.73 N ATOM 0 H ASN A 57 -12.315 -17.616 0.150 1.00 0.14 H new ATOM 0 HA ASN A 57 -13.942 -16.185 2.186 1.00 0.14 H new ATOM 0 HB2 ASN A 57 -12.903 -18.926 1.657 1.00 0.23 H new ATOM 0 HB3 ASN A 57 -12.556 -18.383 3.287 1.00 0.23 H new ATOM 0 HD21 ASN A 57 -16.069 -18.220 4.258 1.00 0.73 H new ATOM 0 HD22 ASN A 57 -14.472 -17.547 4.606 1.00 0.73 H new ATOM 919 N TYR A 58 -10.761 -16.370 1.735 1.00 0.22 N ATOM 920 CA TYR A 58 -9.454 -15.870 2.190 1.00 0.21 C ATOM 921 C TYR A 58 -9.087 -14.550 1.519 1.00 0.26 C ATOM 922 O TYR A 58 -8.438 -13.714 2.116 1.00 0.78 O ATOM 923 CB TYR A 58 -8.365 -16.899 1.867 1.00 0.19 C ATOM 924 CG TYR A 58 -8.311 -17.977 2.975 1.00 0.18 C ATOM 925 CD1 TYR A 58 -9.349 -18.898 3.170 1.00 0.18 C ATOM 926 CD2 TYR A 58 -7.227 -18.019 3.834 1.00 0.19 C ATOM 927 CE1 TYR A 58 -9.287 -19.804 4.206 1.00 0.22 C ATOM 928 CE2 TYR A 58 -7.182 -18.935 4.866 1.00 0.23 C ATOM 929 CZ TYR A 58 -8.207 -19.830 5.056 1.00 0.26 C ATOM 930 OH TYR A 58 -8.154 -20.744 6.088 1.00 0.32 O ATOM 0 H TYR A 58 -10.766 -16.813 0.816 1.00 0.22 H new ATOM 0 HA TYR A 58 -9.524 -15.707 3.265 1.00 0.21 H new ATOM 0 HB2 TYR A 58 -8.569 -17.366 0.903 1.00 0.19 H new ATOM 0 HB3 TYR A 58 -7.398 -16.403 1.783 1.00 0.19 H new ATOM 0 HD1 TYR A 58 -10.201 -18.898 2.506 1.00 0.18 H new ATOM 0 HD2 TYR A 58 -6.408 -17.328 3.696 1.00 0.19 H new ATOM 0 HE1 TYR A 58 -10.097 -20.503 4.352 1.00 0.22 H new ATOM 0 HE2 TYR A 58 -6.331 -18.948 5.531 1.00 0.23 H new ATOM 0 HH TYR A 58 -7.321 -20.623 6.589 1.00 0.32 H new ATOM 940 N VAL A 59 -9.513 -14.391 0.293 1.00 0.40 N ATOM 941 CA VAL A 59 -9.204 -13.140 -0.446 1.00 0.32 C ATOM 942 C VAL A 59 -10.473 -12.424 -0.886 1.00 0.72 C ATOM 943 O VAL A 59 -11.502 -13.037 -1.086 1.00 1.48 O ATOM 944 CB VAL A 59 -8.430 -13.547 -1.689 1.00 0.63 C ATOM 945 CG1 VAL A 59 -7.551 -14.734 -1.316 1.00 0.69 C ATOM 946 CG2 VAL A 59 -9.414 -13.931 -2.819 1.00 0.86 C ATOM 0 H VAL A 59 -10.062 -15.077 -0.226 1.00 0.40 H new ATOM 0 HA VAL A 59 -8.641 -12.464 0.198 1.00 0.32 H new ATOM 0 HB VAL A 59 -7.814 -12.723 -2.049 1.00 0.63 H new ATOM 0 HG11 VAL A 59 -6.980 -15.052 -2.188 1.00 0.69 H new ATOM 0 HG12 VAL A 59 -6.865 -14.443 -0.520 1.00 0.69 H new ATOM 0 HG13 VAL A 59 -8.178 -15.557 -0.972 1.00 0.69 H new ATOM 0 HG21 VAL A 59 -8.853 -14.222 -3.707 1.00 0.86 H new ATOM 0 HG22 VAL A 59 -10.035 -14.765 -2.493 1.00 0.86 H new ATOM 0 HG23 VAL A 59 -10.049 -13.077 -3.055 1.00 0.86 H new ATOM 956 N GLU A 60 -10.370 -11.138 -1.034 1.00 0.51 N ATOM 957 CA GLU A 60 -11.548 -10.341 -1.461 1.00 0.87 C ATOM 958 C GLU A 60 -11.061 -9.016 -2.037 1.00 0.75 C ATOM 959 O GLU A 60 -10.527 -8.215 -1.303 1.00 1.33 O ATOM 960 CB GLU A 60 -12.423 -10.046 -0.229 1.00 1.48 C ATOM 961 CG GLU A 60 -13.018 -11.342 0.334 1.00 2.21 C ATOM 962 CD GLU A 60 -14.111 -10.997 1.343 1.00 2.50 C ATOM 963 OE1 GLU A 60 -14.332 -9.811 1.516 1.00 2.76 O ATOM 964 OE2 GLU A 60 -14.659 -11.941 1.888 1.00 2.64 O ATOM 0 H GLU A 60 -9.517 -10.601 -0.877 1.00 0.51 H new ATOM 0 HA GLU A 60 -12.120 -10.892 -2.207 1.00 0.87 H new ATOM 0 HB2 GLU A 60 -11.826 -9.551 0.537 1.00 1.48 H new ATOM 0 HB3 GLU A 60 -13.225 -9.360 -0.502 1.00 1.48 H new ATOM 0 HG2 GLU A 60 -13.430 -11.948 -0.473 1.00 2.21 H new ATOM 0 HG3 GLU A 60 -12.239 -11.936 0.813 1.00 2.21 H new