USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=9 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 -175:sc= -2.03! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.0974 X(o=-0.097,f=-0.59) USER MOD Single : A 24 THR OG1 : rot -71:sc= 0.109 USER MOD Single : A 27 LYS NZ :NH3+ -173:sc= -0.603 (180deg=-0.814) USER MOD Single : A 28 SER OG : rot 94:sc= 0.595 USER MOD Single : A 32 GLN : amide:sc= -1.53! K(o=-1.5!,f=0.012) USER MOD Single : A 33 ASN : amide:sc=-0.000169 X(o=-0.00017,f=-0.1) USER MOD Single : A 36 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.175) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 157:sc= -0.162 (180deg=-0.924) USER MOD Single : A 51 GLN : amide:sc= -10.3! C(o=-10!,f=-2.7!) USER MOD Single : A 56 SER OG : rot -38:sc= 1.05 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 -6.672 -6.809 -8.854 1.00 0.09 N ATOM 103 CA ALA A 8 -5.800 -7.335 -7.772 1.00 0.13 C ATOM 104 C ALA A 8 -6.551 -7.396 -6.449 1.00 0.13 C ATOM 105 O ALA A 8 -7.609 -6.814 -6.306 1.00 0.20 O ATOM 106 CB ALA A 8 -4.617 -6.377 -7.618 1.00 0.19 C ATOM 0 HA ALA A 8 -5.471 -8.342 -8.030 1.00 0.13 H new ATOM 0 HB1 ALA A 8 -3.957 -6.737 -6.829 1.00 0.19 H new ATOM 0 HB2 ALA A 8 -4.066 -6.326 -8.557 1.00 0.19 H new ATOM 0 HB3 ALA A 8 -4.984 -5.384 -7.359 1.00 0.19 H new ATOM 112 N VAL A 9 -5.983 -8.100 -5.509 1.00 0.07 N ATOM 113 CA VAL A 9 -6.634 -8.220 -4.185 1.00 0.07 C ATOM 114 C VAL A 9 -5.623 -8.004 -3.073 1.00 0.08 C ATOM 115 O VAL A 9 -4.563 -7.446 -3.279 1.00 0.33 O ATOM 116 CB VAL A 9 -7.225 -9.640 -4.042 1.00 0.14 C ATOM 117 CG1 VAL A 9 -7.822 -10.080 -5.376 1.00 0.10 C ATOM 118 CG2 VAL A 9 -6.146 -10.655 -3.618 1.00 0.21 C ATOM 0 H VAL A 9 -5.097 -8.595 -5.605 1.00 0.07 H new ATOM 0 HA VAL A 9 -7.417 -7.466 -4.110 1.00 0.07 H new ATOM 0 HB VAL A 9 -7.996 -9.609 -3.272 1.00 0.14 H new ATOM 0 HG11 VAL A 9 -8.239 -11.082 -5.275 1.00 0.10 H new ATOM 0 HG12 VAL A 9 -8.611 -9.386 -5.668 1.00 0.10 H new ATOM 0 HG13 VAL A 9 -7.043 -10.086 -6.139 1.00 0.10 H new ATOM 0 HG21 VAL A 9 -6.594 -11.645 -3.526 1.00 0.21 H new ATOM 0 HG22 VAL A 9 -5.357 -10.682 -4.369 1.00 0.21 H new ATOM 0 HG23 VAL A 9 -5.723 -10.357 -2.658 1.00 0.21 H new ATOM 128 N LYS A 10 -5.978 -8.460 -1.920 1.00 0.19 N ATOM 129 CA LYS A 10 -5.080 -8.314 -0.762 1.00 0.15 C ATOM 130 C LYS A 10 -5.435 -9.383 0.263 1.00 0.16 C ATOM 131 O LYS A 10 -6.153 -9.111 1.205 1.00 0.18 O ATOM 132 CB LYS A 10 -5.309 -6.933 -0.145 1.00 0.18 C ATOM 133 CG LYS A 10 -4.304 -6.711 0.994 1.00 0.46 C ATOM 134 CD LYS A 10 -3.361 -5.553 0.640 1.00 1.28 C ATOM 135 CE LYS A 10 -2.570 -5.147 1.887 1.00 0.94 C ATOM 136 NZ LYS A 10 -3.282 -4.068 2.631 1.00 0.87 N ATOM 0 H LYS A 10 -6.861 -8.933 -1.728 1.00 0.19 H new ATOM 0 HA LYS A 10 -4.039 -8.421 -1.066 1.00 0.15 H new ATOM 0 HB2 LYS A 10 -5.192 -6.159 -0.904 1.00 0.18 H new ATOM 0 HB3 LYS A 10 -6.328 -6.856 0.234 1.00 0.18 H new ATOM 0 HG2 LYS A 10 -4.834 -6.490 1.920 1.00 0.46 H new ATOM 0 HG3 LYS A 10 -3.729 -7.621 1.165 1.00 0.46 H new ATOM 0 HD2 LYS A 10 -2.679 -5.854 -0.155 1.00 1.28 H new ATOM 0 HD3 LYS A 10 -3.933 -4.704 0.265 1.00 1.28 H new ATOM 0 HE2 LYS A 10 -2.432 -6.013 2.535 1.00 0.94 H new ATOM 0 HE3 LYS A 10 -1.577 -4.803 1.598 1.00 0.94 H new ATOM 0 HZ1 LYS A 10 -2.731 -3.805 3.473 1.00 0.87 H new ATOM 0 HZ2 LYS A 10 -3.392 -3.237 2.016 1.00 0.87 H new ATOM 0 HZ3 LYS A 10 -4.220 -4.409 2.923 1.00 0.87 H new ATOM 150 N ALA A 11 -4.937 -10.581 0.043 1.00 0.16 N ATOM 151 CA ALA A 11 -5.230 -11.701 0.985 1.00 0.17 C ATOM 152 C ALA A 11 -5.408 -11.193 2.406 1.00 0.17 C ATOM 153 O ALA A 11 -4.486 -10.701 3.022 1.00 0.19 O ATOM 154 CB ALA A 11 -4.063 -12.687 0.939 1.00 0.15 C ATOM 0 H ALA A 11 -4.342 -10.826 -0.748 1.00 0.16 H new ATOM 0 HA ALA A 11 -6.159 -12.185 0.683 1.00 0.17 H new ATOM 0 HB1 ALA A 11 -4.258 -13.514 1.622 1.00 0.15 H new ATOM 0 HB2 ALA A 11 -3.952 -13.072 -0.075 1.00 0.15 H new ATOM 0 HB3 ALA A 11 -3.146 -12.179 1.237 1.00 0.15 H new ATOM 160 N LEU A 12 -6.615 -11.294 2.879 1.00 0.14 N ATOM 161 CA LEU A 12 -6.898 -10.828 4.253 1.00 0.13 C ATOM 162 C LEU A 12 -6.421 -11.877 5.244 1.00 0.19 C ATOM 163 O LEU A 12 -5.976 -11.558 6.327 1.00 0.23 O ATOM 164 CB LEU A 12 -8.417 -10.652 4.418 1.00 0.11 C ATOM 165 CG LEU A 12 -9.025 -9.940 3.194 1.00 0.14 C ATOM 166 CD1 LEU A 12 -10.538 -10.155 3.220 1.00 0.31 C ATOM 167 CD2 LEU A 12 -8.738 -8.439 3.280 1.00 0.17 C ATOM 0 H LEU A 12 -7.413 -11.678 2.373 1.00 0.14 H new ATOM 0 HA LEU A 12 -6.386 -9.883 4.434 1.00 0.13 H new ATOM 0 HB2 LEU A 12 -8.888 -11.626 4.548 1.00 0.11 H new ATOM 0 HB3 LEU A 12 -8.624 -10.075 5.319 1.00 0.11 H new ATOM 0 HG LEU A 12 -8.594 -10.340 2.276 1.00 0.14 H new ATOM 0 HD11 LEU A 12 -10.991 -9.659 2.361 1.00 0.31 H new ATOM 0 HD12 LEU A 12 -10.755 -11.222 3.178 1.00 0.31 H new ATOM 0 HD13 LEU A 12 -10.949 -9.737 4.139 1.00 0.31 H new ATOM 0 HD21 LEU A 12 -9.168 -7.936 2.414 1.00 0.17 H new ATOM 0 HD22 LEU A 12 -9.180 -8.036 4.191 1.00 0.17 H new ATOM 0 HD23 LEU A 12 -7.661 -8.275 3.297 1.00 0.17 H new ATOM 179 N PHE A 13 -6.534 -13.113 4.837 1.00 0.27 N ATOM 180 CA PHE A 13 -6.101 -14.232 5.719 1.00 0.37 C ATOM 181 C PHE A 13 -4.905 -14.939 5.085 1.00 0.46 C ATOM 182 O PHE A 13 -4.747 -14.935 3.878 1.00 1.10 O ATOM 183 CB PHE A 13 -7.253 -15.243 5.875 1.00 0.40 C ATOM 184 CG PHE A 13 -8.571 -14.561 6.310 1.00 0.29 C ATOM 185 CD1 PHE A 13 -8.588 -13.338 6.973 1.00 0.17 C ATOM 186 CD2 PHE A 13 -9.780 -15.173 6.023 1.00 0.40 C ATOM 187 CE1 PHE A 13 -9.782 -12.749 7.323 1.00 0.15 C ATOM 188 CE2 PHE A 13 -10.974 -14.580 6.381 1.00 0.45 C ATOM 189 CZ PHE A 13 -10.976 -13.369 7.031 1.00 0.34 C ATOM 0 H PHE A 13 -6.908 -13.395 3.931 1.00 0.27 H new ATOM 0 HA PHE A 13 -5.826 -13.835 6.696 1.00 0.37 H new ATOM 0 HB2 PHE A 13 -7.409 -15.763 4.930 1.00 0.40 H new ATOM 0 HB3 PHE A 13 -6.976 -15.997 6.611 1.00 0.40 H new ATOM 0 HD1 PHE A 13 -7.657 -12.847 7.215 1.00 0.17 H new ATOM 0 HD2 PHE A 13 -9.789 -16.125 5.513 1.00 0.40 H new ATOM 0 HE1 PHE A 13 -9.782 -11.795 7.830 1.00 0.15 H new ATOM 0 HE2 PHE A 13 -11.909 -15.069 6.150 1.00 0.45 H new ATOM 0 HZ PHE A 13 -11.910 -12.906 7.312 1.00 0.34 H new ATOM 199 N ASP A 14 -4.086 -15.531 5.906 1.00 0.27 N ATOM 200 CA ASP A 14 -2.896 -16.236 5.362 1.00 0.31 C ATOM 201 C ASP A 14 -3.225 -17.642 4.862 1.00 0.27 C ATOM 202 O ASP A 14 -4.222 -18.227 5.225 1.00 0.36 O ATOM 203 CB ASP A 14 -1.859 -16.354 6.483 1.00 0.44 C ATOM 204 CG ASP A 14 -2.577 -16.450 7.832 1.00 0.34 C ATOM 205 OD1 ASP A 14 -3.329 -17.400 7.977 1.00 2.02 O ATOM 206 OD2 ASP A 14 -2.331 -15.570 8.639 1.00 2.17 O ATOM 0 H ASP A 14 -4.187 -15.557 6.921 1.00 0.27 H new ATOM 0 HA ASP A 14 -2.523 -15.661 4.514 1.00 0.31 H new ATOM 0 HB2 ASP A 14 -1.237 -17.235 6.326 1.00 0.44 H new ATOM 0 HB3 ASP A 14 -1.196 -15.489 6.472 1.00 0.44 H new ATOM 211 N TYR A 15 -2.351 -18.145 4.033 1.00 0.24 N ATOM 212 CA TYR A 15 -2.534 -19.507 3.462 1.00 0.27 C ATOM 213 C TYR A 15 -1.206 -20.262 3.560 1.00 0.35 C ATOM 214 O TYR A 15 -0.200 -19.685 3.926 1.00 0.38 O ATOM 215 CB TYR A 15 -2.898 -19.354 1.981 1.00 0.21 C ATOM 216 CG TYR A 15 -3.623 -20.604 1.483 1.00 0.25 C ATOM 217 CD1 TYR A 15 -2.909 -21.724 1.140 1.00 0.29 C ATOM 218 CD2 TYR A 15 -4.999 -20.641 1.423 1.00 0.23 C ATOM 219 CE1 TYR A 15 -3.537 -22.873 0.759 1.00 0.30 C ATOM 220 CE2 TYR A 15 -5.652 -21.798 1.028 1.00 0.24 C ATOM 221 CZ TYR A 15 -4.918 -22.932 0.698 1.00 0.27 C ATOM 222 OH TYR A 15 -5.550 -24.111 0.359 1.00 0.29 O ATOM 0 H TYR A 15 -1.507 -17.662 3.724 1.00 0.24 H new ATOM 0 HA TYR A 15 -3.314 -20.047 3.999 1.00 0.27 H new ATOM 0 HB2 TYR A 15 -3.532 -18.478 1.844 1.00 0.21 H new ATOM 0 HB3 TYR A 15 -1.995 -19.190 1.392 1.00 0.21 H new ATOM 0 HD1 TYR A 15 -1.830 -21.695 1.172 1.00 0.29 H new ATOM 0 HD2 TYR A 15 -5.572 -19.764 1.685 1.00 0.23 H new ATOM 0 HE1 TYR A 15 -2.952 -23.744 0.503 1.00 0.30 H new ATOM 0 HE2 TYR A 15 -6.731 -21.819 0.977 1.00 0.24 H new ATOM 0 HH TYR A 15 -6.515 -23.956 0.287 1.00 0.29 H new ATOM 232 N LYS A 16 -1.208 -21.524 3.237 1.00 0.42 N ATOM 233 CA LYS A 16 0.073 -22.283 3.322 1.00 0.52 C ATOM 234 C LYS A 16 0.145 -23.492 2.383 1.00 0.53 C ATOM 235 O LYS A 16 0.374 -24.603 2.817 1.00 0.72 O ATOM 236 CB LYS A 16 0.317 -22.742 4.768 1.00 0.79 C ATOM 237 CG LYS A 16 -0.947 -23.383 5.350 1.00 2.17 C ATOM 238 CD LYS A 16 -0.909 -23.294 6.887 1.00 2.48 C ATOM 239 CE LYS A 16 -1.065 -21.833 7.346 1.00 4.03 C ATOM 240 NZ LYS A 16 -1.789 -21.766 8.645 1.00 5.27 N ATOM 0 H LYS A 16 -2.021 -22.055 2.924 1.00 0.42 H new ATOM 0 HA LYS A 16 0.852 -21.593 2.998 1.00 0.52 H new ATOM 0 HB2 LYS A 16 1.139 -23.457 4.795 1.00 0.79 H new ATOM 0 HB3 LYS A 16 0.615 -21.891 5.380 1.00 0.79 H new ATOM 0 HG2 LYS A 16 -1.833 -22.876 4.968 1.00 2.17 H new ATOM 0 HG3 LYS A 16 -1.016 -24.425 5.037 1.00 2.17 H new ATOM 0 HD2 LYS A 16 -1.707 -23.902 7.312 1.00 2.48 H new ATOM 0 HD3 LYS A 16 0.033 -23.699 7.258 1.00 2.48 H new ATOM 0 HE2 LYS A 16 -0.083 -21.371 7.447 1.00 4.03 H new ATOM 0 HE3 LYS A 16 -1.608 -21.265 6.591 1.00 4.03 H new ATOM 0 HZ1 LYS A 16 -1.885 -20.773 8.938 1.00 5.27 H new ATOM 0 HZ2 LYS A 16 -2.734 -22.188 8.538 1.00 5.27 H new ATOM 0 HZ3 LYS A 16 -1.255 -22.290 9.367 1.00 5.27 H new ATOM 254 N ALA A 17 -0.045 -23.248 1.113 1.00 0.36 N ATOM 255 CA ALA A 17 0.018 -24.364 0.131 1.00 0.45 C ATOM 256 C ALA A 17 1.408 -24.366 -0.453 1.00 0.50 C ATOM 257 O ALA A 17 2.057 -25.386 -0.579 1.00 0.63 O ATOM 258 CB ALA A 17 -0.925 -24.109 -1.046 1.00 0.44 C ATOM 0 H ALA A 17 -0.240 -22.328 0.717 1.00 0.36 H new ATOM 0 HA ALA A 17 -0.249 -25.293 0.635 1.00 0.45 H new ATOM 0 HB1 ALA A 17 -0.861 -24.939 -1.750 1.00 0.44 H new ATOM 0 HB2 ALA A 17 -1.948 -24.022 -0.680 1.00 0.44 H new ATOM 0 HB3 ALA A 17 -0.639 -23.185 -1.548 1.00 0.44 H new ATOM 264 N GLN A 18 1.788 -23.173 -0.815 1.00 0.43 N ATOM 265 CA GLN A 18 3.131 -22.910 -1.423 1.00 0.49 C ATOM 266 C GLN A 18 3.211 -23.472 -2.830 1.00 0.67 C ATOM 267 O GLN A 18 3.873 -22.919 -3.686 1.00 0.83 O ATOM 268 CB GLN A 18 4.228 -23.566 -0.572 1.00 0.50 C ATOM 269 CG GLN A 18 5.608 -23.091 -1.050 1.00 0.53 C ATOM 270 CD GLN A 18 6.340 -22.413 0.106 1.00 0.87 C ATOM 271 OE1 GLN A 18 6.270 -22.847 1.239 1.00 1.29 O ATOM 272 NE2 GLN A 18 7.059 -21.351 -0.137 1.00 3.13 N ATOM 0 H GLN A 18 1.207 -22.341 -0.713 1.00 0.43 H new ATOM 0 HA GLN A 18 3.275 -21.830 -1.459 1.00 0.49 H new ATOM 0 HB2 GLN A 18 4.088 -23.310 0.478 1.00 0.50 H new ATOM 0 HB3 GLN A 18 4.160 -24.651 -0.648 1.00 0.50 H new ATOM 0 HG2 GLN A 18 6.189 -23.937 -1.416 1.00 0.53 H new ATOM 0 HG3 GLN A 18 5.497 -22.396 -1.882 1.00 0.53 H new ATOM 0 HE21 GLN A 18 7.121 -20.983 -1.086 1.00 3.13 H new ATOM 0 HE22 GLN A 18 7.559 -20.889 0.622 1.00 3.13 H new ATOM 281 N ARG A 19 2.538 -24.560 -3.047 1.00 0.71 N ATOM 282 CA ARG A 19 2.563 -25.169 -4.394 1.00 0.91 C ATOM 283 C ARG A 19 1.556 -26.301 -4.477 1.00 0.93 C ATOM 284 O ARG A 19 1.918 -27.447 -4.661 1.00 0.92 O ATOM 285 CB ARG A 19 3.964 -25.734 -4.652 1.00 1.11 C ATOM 286 CG ARG A 19 4.101 -26.060 -6.143 1.00 1.11 C ATOM 287 CD ARG A 19 5.463 -26.709 -6.393 1.00 1.92 C ATOM 288 NE ARG A 19 5.628 -27.854 -5.456 1.00 2.36 N ATOM 289 CZ ARG A 19 5.255 -29.048 -5.825 1.00 2.65 C ATOM 290 NH1 ARG A 19 4.488 -29.179 -6.876 1.00 2.13 N ATOM 291 NH2 ARG A 19 5.662 -30.073 -5.130 1.00 3.60 N ATOM 0 H ARG A 19 1.975 -25.051 -2.353 1.00 0.71 H new ATOM 0 HA ARG A 19 2.311 -24.411 -5.136 1.00 0.91 H new ATOM 0 HB2 ARG A 19 4.723 -25.011 -4.353 1.00 1.11 H new ATOM 0 HB3 ARG A 19 4.125 -26.631 -4.054 1.00 1.11 H new ATOM 0 HG2 ARG A 19 3.302 -26.732 -6.455 1.00 1.11 H new ATOM 0 HG3 ARG A 19 4.003 -25.151 -6.737 1.00 1.11 H new ATOM 0 HD2 ARG A 19 5.534 -27.053 -7.425 1.00 1.92 H new ATOM 0 HD3 ARG A 19 6.261 -25.981 -6.244 1.00 1.92 H new ATOM 0 HE ARG A 19 6.031 -27.706 -4.531 1.00 2.36 H new ATOM 0 HH11 ARG A 19 4.189 -28.354 -7.395 1.00 2.13 H new ATOM 0 HH12 ARG A 19 4.188 -30.107 -7.176 1.00 2.13 H new ATOM 0 HH21 ARG A 19 6.260 -29.932 -4.316 1.00 3.60 H new ATOM 0 HH22 ARG A 19 5.382 -31.016 -5.400 1.00 3.60 H new ATOM 305 N GLU A 20 0.306 -25.951 -4.331 1.00 1.02 N ATOM 306 CA GLU A 20 -0.762 -26.988 -4.396 1.00 1.11 C ATOM 307 C GLU A 20 -1.816 -26.471 -5.332 1.00 0.84 C ATOM 308 O GLU A 20 -2.890 -27.013 -5.464 1.00 0.49 O ATOM 309 CB GLU A 20 -1.342 -27.201 -2.971 1.00 1.18 C ATOM 310 CG GLU A 20 -2.804 -26.714 -2.866 1.00 0.86 C ATOM 311 CD GLU A 20 -3.260 -26.810 -1.408 1.00 1.98 C ATOM 312 OE1 GLU A 20 -2.438 -27.229 -0.612 1.00 2.58 O ATOM 313 OE2 GLU A 20 -4.405 -26.460 -1.177 1.00 2.69 O ATOM 0 H GLU A 20 -0.020 -24.998 -4.171 1.00 1.02 H new ATOM 0 HA GLU A 20 -0.382 -27.945 -4.754 1.00 1.11 H new ATOM 0 HB2 GLU A 20 -1.292 -28.259 -2.713 1.00 1.18 H new ATOM 0 HB3 GLU A 20 -0.728 -26.667 -2.246 1.00 1.18 H new ATOM 0 HG2 GLU A 20 -2.884 -25.686 -3.218 1.00 0.86 H new ATOM 0 HG3 GLU A 20 -3.449 -27.320 -3.502 1.00 0.86 H new ATOM 320 N ASP A 21 -1.418 -25.450 -6.021 1.00 1.17 N ATOM 321 CA ASP A 21 -2.310 -24.795 -6.980 1.00 1.13 C ATOM 322 C ASP A 21 -3.110 -23.818 -6.156 1.00 0.94 C ATOM 323 O ASP A 21 -4.006 -23.170 -6.642 1.00 1.59 O ATOM 324 CB ASP A 21 -3.245 -25.809 -7.668 1.00 0.98 C ATOM 325 CG ASP A 21 -3.608 -25.299 -9.064 1.00 2.29 C ATOM 326 OD1 ASP A 21 -3.468 -24.102 -9.258 1.00 3.42 O ATOM 327 OD2 ASP A 21 -4.006 -26.134 -9.859 1.00 3.19 O ATOM 0 H ASP A 21 -0.488 -25.038 -5.953 1.00 1.17 H new ATOM 0 HA ASP A 21 -1.750 -24.310 -7.780 1.00 1.13 H new ATOM 0 HB2 ASP A 21 -2.756 -26.781 -7.739 1.00 0.98 H new ATOM 0 HB3 ASP A 21 -4.148 -25.949 -7.074 1.00 0.98 H new ATOM 332 N GLU A 22 -2.723 -23.726 -4.895 1.00 0.99 N ATOM 333 CA GLU A 22 -3.427 -22.797 -3.975 1.00 0.72 C ATOM 334 C GLU A 22 -2.442 -22.033 -3.064 1.00 1.20 C ATOM 335 O GLU A 22 -2.798 -21.612 -1.992 1.00 3.31 O ATOM 336 CB GLU A 22 -4.395 -23.595 -3.105 1.00 0.64 C ATOM 337 CG GLU A 22 -5.547 -22.691 -2.716 1.00 0.54 C ATOM 338 CD GLU A 22 -6.572 -23.494 -1.917 1.00 0.63 C ATOM 339 OE1 GLU A 22 -6.666 -24.678 -2.196 1.00 0.98 O ATOM 340 OE2 GLU A 22 -7.203 -22.881 -1.076 1.00 0.99 O ATOM 0 H GLU A 22 -1.956 -24.254 -4.479 1.00 0.99 H new ATOM 0 HA GLU A 22 -3.962 -22.065 -4.580 1.00 0.72 H new ATOM 0 HB2 GLU A 22 -4.763 -24.466 -3.648 1.00 0.64 H new ATOM 0 HB3 GLU A 22 -3.887 -23.966 -2.215 1.00 0.64 H new ATOM 0 HG2 GLU A 22 -5.182 -21.853 -2.122 1.00 0.54 H new ATOM 0 HG3 GLU A 22 -6.012 -22.271 -3.608 1.00 0.54 H new ATOM 347 N LEU A 23 -1.254 -21.862 -3.591 1.00 0.86 N ATOM 348 CA LEU A 23 -0.068 -21.149 -2.921 1.00 0.52 C ATOM 349 C LEU A 23 -0.180 -20.840 -1.426 1.00 0.46 C ATOM 350 O LEU A 23 -1.231 -20.800 -0.847 1.00 0.59 O ATOM 351 CB LEU A 23 0.269 -19.786 -3.556 1.00 0.36 C ATOM 352 CG LEU A 23 -0.380 -19.605 -4.918 1.00 0.40 C ATOM 353 CD1 LEU A 23 -1.146 -18.273 -5.022 1.00 0.41 C ATOM 354 CD2 LEU A 23 0.753 -19.606 -5.942 1.00 0.34 C ATOM 0 H LEU A 23 -1.025 -22.206 -4.524 1.00 0.86 H new ATOM 0 HA LEU A 23 0.697 -21.910 -3.078 1.00 0.52 H new ATOM 0 HB2 LEU A 23 -0.060 -18.987 -2.891 1.00 0.36 H new ATOM 0 HB3 LEU A 23 1.350 -19.692 -3.657 1.00 0.36 H new ATOM 0 HG LEU A 23 -1.101 -20.405 -5.088 1.00 0.40 H new ATOM 0 HD11 LEU A 23 -1.593 -18.187 -6.012 1.00 0.41 H new ATOM 0 HD12 LEU A 23 -1.931 -18.244 -4.266 1.00 0.41 H new ATOM 0 HD13 LEU A 23 -0.457 -17.444 -4.862 1.00 0.41 H new ATOM 0 HD21 LEU A 23 0.339 -19.478 -6.942 1.00 0.34 H new ATOM 0 HD22 LEU A 23 1.439 -18.787 -5.726 1.00 0.34 H new ATOM 0 HD23 LEU A 23 1.290 -20.553 -5.890 1.00 0.34 H new ATOM 366 N THR A 24 0.960 -20.519 -0.865 1.00 0.33 N ATOM 367 CA THR A 24 1.037 -20.190 0.570 1.00 0.32 C ATOM 368 C THR A 24 1.003 -18.696 0.737 1.00 0.28 C ATOM 369 O THR A 24 1.513 -18.160 1.700 1.00 0.30 O ATOM 370 CB THR A 24 2.380 -20.685 1.112 1.00 0.37 C ATOM 371 OG1 THR A 24 2.483 -20.164 2.427 1.00 0.45 O ATOM 372 CG2 THR A 24 3.532 -20.006 0.363 1.00 0.38 C ATOM 0 H THR A 24 1.850 -20.474 -1.360 1.00 0.33 H new ATOM 0 HA THR A 24 0.204 -20.654 1.098 1.00 0.32 H new ATOM 0 HB THR A 24 2.431 -21.771 1.031 1.00 0.37 H new ATOM 0 HG1 THR A 24 2.628 -19.196 2.385 1.00 0.45 H new ATOM 0 HG21 THR A 24 4.483 -20.365 0.756 1.00 0.38 H new ATOM 0 HG22 THR A 24 3.465 -20.243 -0.699 1.00 0.38 H new ATOM 0 HG23 THR A 24 3.468 -18.926 0.498 1.00 0.38 H new ATOM 380 N PHE A 25 0.419 -18.054 -0.216 1.00 0.27 N ATOM 381 CA PHE A 25 0.343 -16.590 -0.132 1.00 0.28 C ATOM 382 C PHE A 25 -0.086 -16.203 1.283 1.00 0.27 C ATOM 383 O PHE A 25 -0.939 -16.841 1.869 1.00 0.27 O ATOM 384 CB PHE A 25 -0.637 -16.097 -1.178 1.00 0.29 C ATOM 385 CG PHE A 25 -1.994 -16.713 -0.950 1.00 0.31 C ATOM 386 CD1 PHE A 25 -2.844 -16.199 -0.001 1.00 0.33 C ATOM 387 CD2 PHE A 25 -2.405 -17.759 -1.738 1.00 0.36 C ATOM 388 CE1 PHE A 25 -4.108 -16.727 0.149 1.00 0.36 C ATOM 389 CE2 PHE A 25 -3.641 -18.291 -1.605 1.00 0.43 C ATOM 390 CZ PHE A 25 -4.506 -17.781 -0.656 1.00 0.42 C ATOM 0 H PHE A 25 -0.005 -18.475 -1.042 1.00 0.27 H new ATOM 0 HA PHE A 25 1.310 -16.128 -0.329 1.00 0.28 H new ATOM 0 HB2 PHE A 25 -0.711 -15.010 -1.135 1.00 0.29 H new ATOM 0 HB3 PHE A 25 -0.276 -16.352 -2.174 1.00 0.29 H new ATOM 0 HD1 PHE A 25 -2.522 -15.382 0.627 1.00 0.33 H new ATOM 0 HD2 PHE A 25 -1.730 -18.164 -2.477 1.00 0.36 H new ATOM 0 HE1 PHE A 25 -4.783 -16.322 0.889 1.00 0.36 H new ATOM 0 HE2 PHE A 25 -3.950 -19.110 -2.237 1.00 0.43 H new ATOM 0 HZ PHE A 25 -5.493 -18.205 -0.542 1.00 0.42 H new ATOM 400 N ILE A 26 0.509 -15.168 1.803 1.00 0.27 N ATOM 401 CA ILE A 26 0.161 -14.727 3.186 1.00 0.26 C ATOM 402 C ILE A 26 -0.721 -13.488 3.223 1.00 0.20 C ATOM 403 O ILE A 26 -1.071 -12.933 2.200 1.00 0.23 O ATOM 404 CB ILE A 26 1.473 -14.385 3.891 1.00 0.28 C ATOM 405 CG1 ILE A 26 2.438 -13.751 2.888 1.00 0.51 C ATOM 406 CG2 ILE A 26 2.094 -15.683 4.427 1.00 0.09 C ATOM 407 CD1 ILE A 26 3.634 -13.143 3.631 1.00 0.46 C ATOM 0 H ILE A 26 1.220 -14.607 1.334 1.00 0.27 H new ATOM 0 HA ILE A 26 -0.395 -15.533 3.665 1.00 0.26 H new ATOM 0 HB ILE A 26 1.285 -13.689 4.708 1.00 0.28 H new ATOM 0 HG12 ILE A 26 2.783 -14.502 2.177 1.00 0.51 H new ATOM 0 HG13 ILE A 26 1.925 -12.980 2.313 1.00 0.51 H new ATOM 0 HG21 ILE A 26 3.032 -15.456 4.933 1.00 0.09 H new ATOM 0 HG22 ILE A 26 1.406 -16.152 5.131 1.00 0.09 H new ATOM 0 HG23 ILE A 26 2.285 -16.364 3.598 1.00 0.09 H new ATOM 0 HD11 ILE A 26 4.318 -12.693 2.912 1.00 0.46 H new ATOM 0 HD12 ILE A 26 3.282 -12.379 4.324 1.00 0.46 H new ATOM 0 HD13 ILE A 26 4.153 -13.925 4.186 1.00 0.46 H new ATOM 419 N LYS A 27 -1.063 -13.081 4.422 1.00 0.18 N ATOM 420 CA LYS A 27 -1.915 -11.885 4.564 1.00 0.13 C ATOM 421 C LYS A 27 -1.147 -10.665 4.123 1.00 0.04 C ATOM 422 O LYS A 27 -0.264 -10.216 4.818 1.00 0.41 O ATOM 423 CB LYS A 27 -2.315 -11.691 6.037 1.00 0.18 C ATOM 424 CG LYS A 27 -2.988 -10.311 6.226 1.00 0.19 C ATOM 425 CD LYS A 27 -2.139 -9.471 7.188 1.00 0.54 C ATOM 426 CE LYS A 27 -2.812 -8.114 7.428 1.00 1.56 C ATOM 427 NZ LYS A 27 -3.865 -7.850 6.409 1.00 2.67 N ATOM 0 H LYS A 27 -0.786 -13.529 5.295 1.00 0.18 H new ATOM 0 HA LYS A 27 -2.806 -12.019 3.951 1.00 0.13 H new ATOM 0 HB2 LYS A 27 -2.998 -12.483 6.344 1.00 0.18 H new ATOM 0 HB3 LYS A 27 -1.434 -11.765 6.674 1.00 0.18 H new ATOM 0 HG2 LYS A 27 -3.083 -9.803 5.266 1.00 0.19 H new ATOM 0 HG3 LYS A 27 -3.996 -10.434 6.622 1.00 0.19 H new ATOM 0 HD2 LYS A 27 -2.016 -9.998 8.134 1.00 0.54 H new ATOM 0 HD3 LYS A 27 -1.142 -9.324 6.773 1.00 0.54 H new ATOM 0 HE2 LYS A 27 -3.253 -8.095 8.425 1.00 1.56 H new ATOM 0 HE3 LYS A 27 -2.063 -7.322 7.395 1.00 1.56 H new ATOM 0 HZ1 LYS A 27 -4.221 -6.879 6.521 1.00 2.67 H new ATOM 0 HZ2 LYS A 27 -3.463 -7.963 5.457 1.00 2.67 H new ATOM 0 HZ3 LYS A 27 -4.648 -8.523 6.536 1.00 2.67 H new ATOM 441 N SER A 28 -1.527 -10.197 2.973 1.00 0.44 N ATOM 442 CA SER A 28 -0.914 -8.996 2.342 1.00 0.44 C ATOM 443 C SER A 28 -0.613 -9.286 0.880 1.00 0.39 C ATOM 444 O SER A 28 -0.416 -8.383 0.094 1.00 0.36 O ATOM 445 CB SER A 28 0.403 -8.578 3.021 1.00 0.62 C ATOM 446 OG SER A 28 -0.004 -8.025 4.267 1.00 1.82 O ATOM 0 H SER A 28 -2.272 -10.617 2.418 1.00 0.44 H new ATOM 0 HA SER A 28 -1.632 -8.183 2.450 1.00 0.44 H new ATOM 0 HB2 SER A 28 1.066 -9.432 3.162 1.00 0.62 H new ATOM 0 HB3 SER A 28 0.946 -7.848 2.420 1.00 0.62 H new ATOM 0 HG SER A 28 0.021 -8.720 4.957 1.00 1.82 H new ATOM 452 N ALA A 29 -0.575 -10.546 0.544 1.00 0.41 N ATOM 453 CA ALA A 29 -0.290 -10.913 -0.862 1.00 0.41 C ATOM 454 C ALA A 29 -1.196 -10.116 -1.778 1.00 0.27 C ATOM 455 O ALA A 29 -2.364 -9.969 -1.493 1.00 0.19 O ATOM 456 CB ALA A 29 -0.585 -12.403 -1.042 1.00 0.48 C ATOM 0 H ALA A 29 -0.728 -11.328 1.180 1.00 0.41 H new ATOM 0 HA ALA A 29 0.752 -10.701 -1.103 1.00 0.41 H new ATOM 0 HB1 ALA A 29 -0.381 -12.692 -2.073 1.00 0.48 H new ATOM 0 HB2 ALA A 29 0.048 -12.983 -0.370 1.00 0.48 H new ATOM 0 HB3 ALA A 29 -1.633 -12.597 -0.811 1.00 0.48 H new ATOM 462 N ILE A 30 -0.653 -9.629 -2.861 1.00 0.28 N ATOM 463 CA ILE A 30 -1.487 -8.838 -3.794 1.00 0.23 C ATOM 464 C ILE A 30 -1.600 -9.542 -5.141 1.00 0.42 C ATOM 465 O ILE A 30 -1.249 -9.005 -6.172 1.00 1.28 O ATOM 466 CB ILE A 30 -0.828 -7.469 -3.975 1.00 0.18 C ATOM 467 CG1 ILE A 30 -0.039 -7.094 -2.722 1.00 0.17 C ATOM 468 CG2 ILE A 30 -1.950 -6.442 -4.170 1.00 0.24 C ATOM 469 CD1 ILE A 30 0.481 -5.660 -2.860 1.00 0.29 C ATOM 0 H ILE A 30 0.323 -9.746 -3.134 1.00 0.28 H new ATOM 0 HA ILE A 30 -2.492 -8.727 -3.388 1.00 0.23 H new ATOM 0 HB ILE A 30 -0.149 -7.491 -4.828 1.00 0.18 H new ATOM 0 HG12 ILE A 30 -0.674 -7.179 -1.840 1.00 0.17 H new ATOM 0 HG13 ILE A 30 0.794 -7.783 -2.583 1.00 0.17 H new ATOM 0 HG21 ILE A 30 -1.517 -5.451 -4.303 1.00 0.24 H new ATOM 0 HG22 ILE A 30 -2.534 -6.704 -5.052 1.00 0.24 H new ATOM 0 HG23 ILE A 30 -2.598 -6.440 -3.294 1.00 0.24 H new ATOM 0 HD11 ILE A 30 1.045 -5.390 -1.967 1.00 0.29 H new ATOM 0 HD12 ILE A 30 1.130 -5.591 -3.733 1.00 0.29 H new ATOM 0 HD13 ILE A 30 -0.361 -4.978 -2.978 1.00 0.29 H new ATOM 481 N ILE A 31 -2.094 -10.746 -5.095 1.00 0.40 N ATOM 482 CA ILE A 31 -2.252 -11.527 -6.346 1.00 0.31 C ATOM 483 C ILE A 31 -2.847 -10.622 -7.433 1.00 0.27 C ATOM 484 O ILE A 31 -3.557 -9.688 -7.110 1.00 0.37 O ATOM 485 CB ILE A 31 -3.191 -12.695 -6.039 1.00 0.31 C ATOM 486 CG1 ILE A 31 -2.652 -13.472 -4.826 1.00 0.33 C ATOM 487 CG2 ILE A 31 -3.222 -13.630 -7.257 1.00 0.30 C ATOM 488 CD1 ILE A 31 -3.629 -14.571 -4.422 1.00 0.29 C ATOM 0 H ILE A 31 -2.395 -11.221 -4.244 1.00 0.40 H new ATOM 0 HA ILE A 31 -1.295 -11.904 -6.705 1.00 0.31 H new ATOM 0 HB ILE A 31 -4.192 -12.323 -5.821 1.00 0.31 H new ATOM 0 HG12 ILE A 31 -1.683 -13.909 -5.067 1.00 0.33 H new ATOM 0 HG13 ILE A 31 -2.495 -12.790 -3.990 1.00 0.33 H new ATOM 0 HG21 ILE A 31 -3.888 -14.469 -7.055 1.00 0.30 H new ATOM 0 HG22 ILE A 31 -3.583 -13.082 -8.127 1.00 0.30 H new ATOM 0 HG23 ILE A 31 -2.217 -14.003 -7.455 1.00 0.30 H new ATOM 0 HD11 ILE A 31 -3.233 -15.112 -3.562 1.00 0.29 H new ATOM 0 HD12 ILE A 31 -4.589 -14.126 -4.160 1.00 0.29 H new ATOM 0 HD13 ILE A 31 -3.764 -15.262 -5.254 1.00 0.29 H new ATOM 500 N GLN A 32 -2.559 -10.899 -8.692 1.00 0.16 N ATOM 501 CA GLN A 32 -3.120 -10.031 -9.779 1.00 0.25 C ATOM 502 C GLN A 32 -3.939 -10.834 -10.780 1.00 0.18 C ATOM 503 O GLN A 32 -3.891 -12.049 -10.799 1.00 0.12 O ATOM 504 CB GLN A 32 -1.959 -9.341 -10.515 1.00 0.42 C ATOM 505 CG GLN A 32 -0.723 -10.245 -10.525 1.00 1.63 C ATOM 506 CD GLN A 32 0.401 -9.532 -11.280 1.00 1.66 C ATOM 507 OE1 GLN A 32 1.433 -10.103 -11.574 1.00 2.01 O ATOM 508 NE2 GLN A 32 0.241 -8.277 -11.606 1.00 1.90 N ATOM 0 H GLN A 32 -1.972 -11.672 -9.005 1.00 0.16 H new ATOM 0 HA GLN A 32 -3.781 -9.296 -9.319 1.00 0.25 H new ATOM 0 HB2 GLN A 32 -2.255 -9.108 -11.538 1.00 0.42 H new ATOM 0 HB3 GLN A 32 -1.722 -8.395 -10.028 1.00 0.42 H new ATOM 0 HG2 GLN A 32 -0.410 -10.469 -9.505 1.00 1.63 H new ATOM 0 HG3 GLN A 32 -0.955 -11.197 -11.003 1.00 1.63 H new ATOM 0 HE21 GLN A 32 -0.623 -7.793 -11.362 1.00 1.90 H new ATOM 0 HE22 GLN A 32 0.980 -7.781 -12.105 1.00 1.90 H new ATOM 517 N ASN A 33 -4.680 -10.138 -11.606 1.00 0.25 N ATOM 518 CA ASN A 33 -5.509 -10.852 -12.606 1.00 0.30 C ATOM 519 C ASN A 33 -6.294 -11.887 -11.854 1.00 0.23 C ATOM 520 O ASN A 33 -5.866 -13.014 -11.707 1.00 0.32 O ATOM 521 CB ASN A 33 -4.602 -11.529 -13.641 1.00 0.43 C ATOM 522 CG ASN A 33 -5.440 -11.927 -14.858 1.00 0.86 C ATOM 523 OD1 ASN A 33 -6.057 -11.098 -15.496 1.00 1.79 O ATOM 524 ND2 ASN A 33 -5.484 -13.180 -15.212 1.00 1.39 N ATOM 0 H ASN A 33 -4.742 -9.120 -11.627 1.00 0.25 H new ATOM 0 HA ASN A 33 -6.172 -10.167 -13.135 1.00 0.30 H new ATOM 0 HB2 ASN A 33 -3.802 -10.851 -13.941 1.00 0.43 H new ATOM 0 HB3 ASN A 33 -4.128 -12.409 -13.207 1.00 0.43 H new ATOM 0 HD21 ASN A 33 -6.035 -13.462 -16.023 1.00 1.39 H new ATOM 0 HD22 ASN A 33 -4.967 -13.879 -14.679 1.00 1.39 H new ATOM 531 N VAL A 34 -7.438 -11.472 -11.401 1.00 0.27 N ATOM 532 CA VAL A 34 -8.288 -12.400 -10.636 1.00 0.23 C ATOM 533 C VAL A 34 -9.639 -12.717 -11.276 1.00 0.27 C ATOM 534 O VAL A 34 -10.091 -12.050 -12.185 1.00 0.32 O ATOM 535 CB VAL A 34 -8.455 -11.717 -9.278 1.00 0.13 C ATOM 536 CG1 VAL A 34 -9.926 -11.484 -8.929 1.00 0.11 C ATOM 537 CG2 VAL A 34 -7.790 -12.588 -8.236 1.00 0.08 C ATOM 0 H VAL A 34 -7.816 -10.533 -11.529 1.00 0.27 H new ATOM 0 HA VAL A 34 -7.818 -13.382 -10.579 1.00 0.23 H new ATOM 0 HB VAL A 34 -7.988 -10.733 -9.311 1.00 0.13 H new ATOM 0 HG11 VAL A 34 -9.996 -10.997 -7.956 1.00 0.11 H new ATOM 0 HG12 VAL A 34 -10.384 -10.848 -9.687 1.00 0.11 H new ATOM 0 HG13 VAL A 34 -10.448 -12.440 -8.894 1.00 0.11 H new ATOM 0 HG21 VAL A 34 -7.893 -12.125 -7.255 1.00 0.08 H new ATOM 0 HG22 VAL A 34 -8.264 -13.569 -8.226 1.00 0.08 H new ATOM 0 HG23 VAL A 34 -6.732 -12.699 -8.475 1.00 0.08 H new ATOM 547 N GLU A 35 -10.245 -13.760 -10.763 1.00 0.28 N ATOM 548 CA GLU A 35 -11.566 -14.195 -11.279 1.00 0.35 C ATOM 549 C GLU A 35 -12.125 -15.340 -10.421 1.00 0.30 C ATOM 550 O GLU A 35 -11.588 -16.428 -10.406 1.00 0.51 O ATOM 551 CB GLU A 35 -11.382 -14.696 -12.715 1.00 0.54 C ATOM 552 CG GLU A 35 -12.708 -15.266 -13.214 1.00 1.64 C ATOM 553 CD GLU A 35 -12.776 -15.134 -14.736 1.00 0.98 C ATOM 554 OE1 GLU A 35 -11.719 -15.237 -15.335 1.00 1.73 O ATOM 555 OE2 GLU A 35 -13.881 -14.939 -15.213 1.00 0.39 O ATOM 0 H GLU A 35 -9.872 -14.329 -10.003 1.00 0.28 H new ATOM 0 HA GLU A 35 -12.262 -13.357 -11.246 1.00 0.35 H new ATOM 0 HB2 GLU A 35 -11.056 -13.880 -13.360 1.00 0.54 H new ATOM 0 HB3 GLU A 35 -10.606 -15.460 -12.751 1.00 0.54 H new ATOM 0 HG2 GLU A 35 -12.799 -16.313 -12.924 1.00 1.64 H new ATOM 0 HG3 GLU A 35 -13.541 -14.735 -12.754 1.00 1.64 H new ATOM 562 N LYS A 36 -13.196 -15.063 -9.719 1.00 0.24 N ATOM 563 CA LYS A 36 -13.825 -16.110 -8.850 1.00 0.26 C ATOM 564 C LYS A 36 -14.511 -17.169 -9.691 1.00 0.50 C ATOM 565 O LYS A 36 -15.603 -16.974 -10.190 1.00 1.56 O ATOM 566 CB LYS A 36 -14.875 -15.440 -7.946 1.00 0.63 C ATOM 567 CG LYS A 36 -15.021 -13.968 -8.341 1.00 0.58 C ATOM 568 CD LYS A 36 -16.079 -13.302 -7.463 1.00 0.84 C ATOM 569 CE LYS A 36 -15.864 -11.789 -7.500 1.00 1.02 C ATOM 570 NZ LYS A 36 -16.008 -11.285 -8.893 1.00 1.17 N ATOM 0 H LYS A 36 -13.664 -14.157 -9.709 1.00 0.24 H new ATOM 0 HA LYS A 36 -13.046 -16.585 -8.254 1.00 0.26 H new ATOM 0 HB2 LYS A 36 -15.833 -15.951 -8.043 1.00 0.63 H new ATOM 0 HB3 LYS A 36 -14.575 -15.520 -6.901 1.00 0.63 H new ATOM 0 HG2 LYS A 36 -14.066 -13.455 -8.229 1.00 0.58 H new ATOM 0 HG3 LYS A 36 -15.304 -13.889 -9.391 1.00 0.58 H new ATOM 0 HD2 LYS A 36 -17.078 -13.551 -7.821 1.00 0.84 H new ATOM 0 HD3 LYS A 36 -16.006 -13.669 -6.439 1.00 0.84 H new ATOM 0 HE2 LYS A 36 -16.587 -11.295 -6.850 1.00 1.02 H new ATOM 0 HE3 LYS A 36 -14.873 -11.545 -7.118 1.00 1.02 H new ATOM 0 HZ1 LYS A 36 -16.080 -10.248 -8.881 1.00 1.17 H new ATOM 0 HZ2 LYS A 36 -15.178 -11.568 -9.452 1.00 1.17 H new ATOM 0 HZ3 LYS A 36 -16.867 -11.687 -9.321 1.00 1.17 H new ATOM 623 N GLY A 40 -16.583 -20.156 -6.028 1.00 0.93 N ATOM 624 CA GLY A 40 -16.126 -19.308 -4.886 1.00 0.64 C ATOM 625 C GLY A 40 -14.632 -19.519 -4.672 1.00 0.43 C ATOM 626 O GLY A 40 -14.160 -19.594 -3.555 1.00 0.54 O ATOM 0 HA2 GLY A 40 -16.331 -18.258 -5.092 1.00 0.64 H new ATOM 0 HA3 GLY A 40 -16.676 -19.568 -3.981 1.00 0.64 H new ATOM 630 N TRP A 41 -13.921 -19.597 -5.763 1.00 0.21 N ATOM 631 CA TRP A 41 -12.455 -19.806 -5.692 1.00 0.14 C ATOM 632 C TRP A 41 -11.851 -18.844 -6.671 1.00 0.16 C ATOM 633 O TRP A 41 -12.385 -18.662 -7.739 1.00 0.21 O ATOM 634 CB TRP A 41 -12.161 -21.277 -5.994 1.00 0.14 C ATOM 635 CG TRP A 41 -12.707 -22.004 -4.767 1.00 0.16 C ATOM 636 CD1 TRP A 41 -14.016 -22.247 -4.583 1.00 0.20 C ATOM 637 CD2 TRP A 41 -12.070 -22.102 -3.591 1.00 0.16 C ATOM 638 NE1 TRP A 41 -14.127 -22.447 -3.271 1.00 0.21 N ATOM 639 CE2 TRP A 41 -12.973 -22.365 -2.576 1.00 0.17 C ATOM 640 CE3 TRP A 41 -10.731 -21.957 -3.292 1.00 0.16 C ATOM 641 CZ2 TRP A 41 -12.545 -22.449 -1.266 1.00 0.17 C ATOM 642 CZ3 TRP A 41 -10.299 -22.057 -1.986 1.00 0.16 C ATOM 643 CH2 TRP A 41 -11.211 -22.296 -0.962 1.00 0.16 C ATOM 0 H TRP A 41 -14.300 -19.524 -6.707 1.00 0.21 H new ATOM 0 HA TRP A 41 -12.024 -19.610 -4.710 1.00 0.14 H new ATOM 0 HB2 TRP A 41 -12.654 -21.606 -6.909 1.00 0.14 H new ATOM 0 HB3 TRP A 41 -11.094 -21.455 -6.125 1.00 0.14 H new ATOM 0 HD1 TRP A 41 -14.798 -22.274 -5.328 1.00 0.20 H new ATOM 0 HE1 TRP A 41 -15.021 -22.648 -2.823 1.00 0.21 H new ATOM 0 HE3 TRP A 41 -10.020 -21.765 -4.082 1.00 0.16 H new ATOM 0 HZ2 TRP A 41 -13.259 -22.635 -0.477 1.00 0.17 H new ATOM 0 HZ3 TRP A 41 -9.249 -21.949 -1.757 1.00 0.16 H new ATOM 0 HH2 TRP A 41 -10.875 -22.361 0.062 1.00 0.16 H new ATOM 654 N TRP A 42 -10.754 -18.257 -6.304 1.00 0.18 N ATOM 655 CA TRP A 42 -10.116 -17.283 -7.207 1.00 0.19 C ATOM 656 C TRP A 42 -8.808 -17.728 -7.838 1.00 0.21 C ATOM 657 O TRP A 42 -8.119 -18.547 -7.301 1.00 0.26 O ATOM 658 CB TRP A 42 -9.746 -16.117 -6.305 1.00 0.14 C ATOM 659 CG TRP A 42 -10.990 -15.521 -5.665 1.00 0.13 C ATOM 660 CD1 TRP A 42 -12.002 -16.251 -5.168 1.00 0.16 C ATOM 661 CD2 TRP A 42 -11.281 -14.233 -5.623 1.00 0.12 C ATOM 662 NE1 TRP A 42 -12.907 -15.332 -4.894 1.00 0.17 N ATOM 663 CE2 TRP A 42 -12.548 -14.067 -5.119 1.00 0.15 C ATOM 664 CE3 TRP A 42 -10.506 -13.128 -5.885 1.00 0.12 C ATOM 665 CZ2 TRP A 42 -13.060 -12.831 -4.879 1.00 0.17 C ATOM 666 CZ3 TRP A 42 -11.020 -11.867 -5.631 1.00 0.12 C ATOM 667 CH2 TRP A 42 -12.299 -11.724 -5.131 1.00 0.14 C ATOM 0 H TRP A 42 -10.275 -18.412 -5.417 1.00 0.18 H new ATOM 0 HA TRP A 42 -10.810 -17.090 -8.025 1.00 0.19 H new ATOM 0 HB2 TRP A 42 -9.057 -16.454 -5.530 1.00 0.14 H new ATOM 0 HB3 TRP A 42 -9.226 -15.353 -6.883 1.00 0.14 H new ATOM 0 HD1 TRP A 42 -12.060 -17.320 -5.028 1.00 0.16 H new ATOM 0 HE1 TRP A 42 -13.829 -15.574 -4.531 1.00 0.17 H new ATOM 0 HE3 TRP A 42 -9.509 -13.242 -6.284 1.00 0.12 H new ATOM 0 HZ2 TRP A 42 -14.062 -12.724 -4.491 1.00 0.17 H new ATOM 0 HZ3 TRP A 42 -10.418 -10.992 -5.825 1.00 0.12 H new ATOM 0 HH2 TRP A 42 -12.698 -10.739 -4.939 1.00 0.14 H new ATOM 678 N ARG A 43 -8.474 -17.111 -8.947 1.00 0.25 N ATOM 679 CA ARG A 43 -7.209 -17.459 -9.649 1.00 0.25 C ATOM 680 C ARG A 43 -6.385 -16.187 -9.815 1.00 0.22 C ATOM 681 O ARG A 43 -6.839 -15.118 -9.478 1.00 0.25 O ATOM 682 CB ARG A 43 -7.507 -18.003 -11.042 1.00 0.37 C ATOM 683 CG ARG A 43 -6.942 -19.423 -11.147 1.00 0.40 C ATOM 684 CD ARG A 43 -7.268 -20.023 -12.514 1.00 0.56 C ATOM 685 NE ARG A 43 -7.451 -18.934 -13.509 1.00 2.19 N ATOM 686 CZ ARG A 43 -8.478 -18.975 -14.312 1.00 2.84 C ATOM 687 NH1 ARG A 43 -9.677 -18.838 -13.812 1.00 2.82 N ATOM 688 NH2 ARG A 43 -8.272 -19.164 -15.587 1.00 4.00 N ATOM 0 H ARG A 43 -9.028 -16.380 -9.393 1.00 0.25 H new ATOM 0 HA ARG A 43 -6.675 -18.211 -9.067 1.00 0.25 H new ATOM 0 HB2 ARG A 43 -8.582 -18.010 -11.223 1.00 0.37 H new ATOM 0 HB3 ARG A 43 -7.060 -17.362 -11.802 1.00 0.37 H new ATOM 0 HG2 ARG A 43 -5.862 -19.404 -10.999 1.00 0.40 H new ATOM 0 HG3 ARG A 43 -7.361 -20.048 -10.358 1.00 0.40 H new ATOM 0 HD2 ARG A 43 -6.464 -20.687 -12.831 1.00 0.56 H new ATOM 0 HD3 ARG A 43 -8.174 -20.626 -12.450 1.00 0.56 H new ATOM 0 HE ARG A 43 -6.783 -18.165 -13.563 1.00 2.19 H new ATOM 0 HH11 ARG A 43 -9.799 -18.702 -12.809 1.00 2.82 H new ATOM 0 HH12 ARG A 43 -10.492 -18.867 -14.425 1.00 2.82 H new ATOM 0 HH21 ARG A 43 -7.321 -19.276 -15.939 1.00 4.00 H new ATOM 0 HH22 ARG A 43 -9.062 -19.199 -16.231 1.00 4.00 H new ATOM 702 N GLY A 44 -5.195 -16.315 -10.337 1.00 0.22 N ATOM 703 CA GLY A 44 -4.327 -15.114 -10.527 1.00 0.22 C ATOM 704 C GLY A 44 -2.873 -15.452 -10.161 1.00 0.21 C ATOM 705 O GLY A 44 -2.607 -16.263 -9.297 1.00 0.22 O ATOM 0 H GLY A 44 -4.785 -17.198 -10.640 1.00 0.22 H new ATOM 0 HA2 GLY A 44 -4.381 -14.776 -11.562 1.00 0.22 H new ATOM 0 HA3 GLY A 44 -4.686 -14.294 -9.905 1.00 0.22 H new ATOM 709 N ASP A 45 -1.976 -14.818 -10.846 1.00 0.25 N ATOM 710 CA ASP A 45 -0.519 -15.046 -10.605 1.00 0.30 C ATOM 711 C ASP A 45 -0.044 -14.492 -9.254 1.00 0.32 C ATOM 712 O ASP A 45 -0.382 -13.389 -8.872 1.00 0.61 O ATOM 713 CB ASP A 45 0.241 -14.310 -11.720 1.00 0.45 C ATOM 714 CG ASP A 45 1.700 -14.119 -11.309 1.00 1.35 C ATOM 715 OD1 ASP A 45 1.921 -13.244 -10.488 1.00 0.41 O ATOM 716 OD2 ASP A 45 2.513 -14.855 -11.842 1.00 3.65 O ATOM 0 H ASP A 45 -2.186 -14.138 -11.577 1.00 0.25 H new ATOM 0 HA ASP A 45 -0.334 -16.120 -10.598 1.00 0.30 H new ATOM 0 HB2 ASP A 45 0.186 -14.879 -12.648 1.00 0.45 H new ATOM 0 HB3 ASP A 45 -0.223 -13.342 -11.912 1.00 0.45 H new ATOM 721 N TYR A 46 0.754 -15.275 -8.571 1.00 0.39 N ATOM 722 CA TYR A 46 1.280 -14.841 -7.244 1.00 0.35 C ATOM 723 C TYR A 46 2.769 -15.174 -7.133 1.00 0.39 C ATOM 724 O TYR A 46 3.229 -15.639 -6.108 1.00 0.43 O ATOM 725 CB TYR A 46 0.523 -15.593 -6.138 1.00 0.37 C ATOM 726 CG TYR A 46 0.977 -15.036 -4.787 1.00 0.45 C ATOM 727 CD1 TYR A 46 0.941 -13.674 -4.553 1.00 0.45 C ATOM 728 CD2 TYR A 46 1.575 -15.857 -3.844 1.00 0.58 C ATOM 729 CE1 TYR A 46 1.506 -13.144 -3.436 1.00 0.54 C ATOM 730 CE2 TYR A 46 2.145 -15.314 -2.721 1.00 0.68 C ATOM 731 CZ TYR A 46 2.116 -13.953 -2.502 1.00 0.64 C ATOM 732 OH TYR A 46 2.688 -13.413 -1.367 1.00 0.75 O ATOM 0 H TYR A 46 1.063 -16.197 -8.878 1.00 0.39 H new ATOM 0 HA TYR A 46 1.142 -13.765 -7.139 1.00 0.35 H new ATOM 0 HB2 TYR A 46 -0.553 -15.466 -6.260 1.00 0.37 H new ATOM 0 HB3 TYR A 46 0.727 -16.662 -6.197 1.00 0.37 H new ATOM 0 HD1 TYR A 46 0.458 -13.023 -5.267 1.00 0.45 H new ATOM 0 HD2 TYR A 46 1.592 -16.926 -3.994 1.00 0.58 H new ATOM 0 HE1 TYR A 46 1.476 -12.076 -3.279 1.00 0.54 H new ATOM 0 HE2 TYR A 46 2.622 -15.960 -1.999 1.00 0.68 H new ATOM 0 HH TYR A 46 3.071 -14.131 -0.820 1.00 0.75 H new ATOM 778 N LYS A 50 1.537 -18.967 -12.211 1.00 0.15 N ATOM 779 CA LYS A 50 0.564 -18.171 -12.972 1.00 0.24 C ATOM 780 C LYS A 50 -0.841 -18.741 -12.875 1.00 0.27 C ATOM 781 O LYS A 50 -1.145 -19.783 -13.419 1.00 0.55 O ATOM 782 CB LYS A 50 0.970 -18.124 -14.444 1.00 0.32 C ATOM 783 CG LYS A 50 -0.014 -17.199 -15.180 1.00 1.03 C ATOM 784 CD LYS A 50 0.751 -16.236 -16.099 1.00 0.63 C ATOM 785 CE LYS A 50 1.382 -17.022 -17.249 1.00 1.92 C ATOM 786 NZ LYS A 50 0.337 -17.773 -17.997 1.00 3.38 N ATOM 0 HA LYS A 50 0.560 -17.170 -12.541 1.00 0.24 H new ATOM 0 HB2 LYS A 50 1.990 -17.754 -14.546 1.00 0.32 H new ATOM 0 HB3 LYS A 50 0.949 -19.124 -14.877 1.00 0.32 H new ATOM 0 HG2 LYS A 50 -0.714 -17.794 -15.766 1.00 1.03 H new ATOM 0 HG3 LYS A 50 -0.603 -16.634 -14.458 1.00 1.03 H new ATOM 0 HD2 LYS A 50 0.075 -15.477 -16.491 1.00 0.63 H new ATOM 0 HD3 LYS A 50 1.523 -15.714 -15.534 1.00 0.63 H new ATOM 0 HE2 LYS A 50 1.901 -16.340 -17.922 1.00 1.92 H new ATOM 0 HE3 LYS A 50 2.128 -17.715 -16.859 1.00 1.92 H new ATOM 0 HZ1 LYS A 50 0.676 -17.974 -18.960 1.00 3.38 H new ATOM 0 HZ2 LYS A 50 0.135 -18.668 -17.507 1.00 3.38 H new ATOM 0 HZ3 LYS A 50 -0.531 -17.203 -18.047 1.00 3.38 H new ATOM 800 N GLN A 51 -1.638 -18.041 -12.123 1.00 0.29 N ATOM 801 CA GLN A 51 -3.064 -18.428 -11.905 1.00 0.27 C ATOM 802 C GLN A 51 -3.257 -19.737 -11.153 1.00 0.16 C ATOM 803 O GLN A 51 -3.545 -20.761 -11.741 1.00 0.26 O ATOM 804 CB GLN A 51 -3.803 -18.526 -13.264 1.00 0.44 C ATOM 805 CG GLN A 51 -4.389 -17.163 -13.653 1.00 1.50 C ATOM 806 CD GLN A 51 -3.258 -16.223 -14.072 1.00 1.06 C ATOM 807 OE1 GLN A 51 -3.002 -16.025 -15.243 1.00 1.57 O ATOM 808 NE2 GLN A 51 -2.560 -15.627 -13.148 1.00 2.42 N ATOM 0 H GLN A 51 -1.355 -17.191 -11.635 1.00 0.29 H new ATOM 0 HA GLN A 51 -3.481 -17.640 -11.278 1.00 0.27 H new ATOM 0 HB2 GLN A 51 -3.113 -18.866 -14.036 1.00 0.44 H new ATOM 0 HB3 GLN A 51 -4.600 -19.267 -13.199 1.00 0.44 H new ATOM 0 HG2 GLN A 51 -5.100 -17.281 -14.471 1.00 1.50 H new ATOM 0 HG3 GLN A 51 -4.937 -16.738 -12.812 1.00 1.50 H new ATOM 0 HE21 GLN A 51 -2.772 -15.791 -12.164 1.00 2.42 H new ATOM 0 HE22 GLN A 51 -1.802 -14.997 -13.409 1.00 2.42 H new ATOM 817 N LEU A 52 -3.087 -19.672 -9.858 1.00 0.06 N ATOM 818 CA LEU A 52 -3.261 -20.886 -9.018 1.00 0.18 C ATOM 819 C LEU A 52 -4.616 -20.726 -8.308 1.00 0.25 C ATOM 820 O LEU A 52 -5.578 -20.441 -8.980 1.00 0.36 O ATOM 821 CB LEU A 52 -2.079 -20.984 -8.023 1.00 0.25 C ATOM 822 CG LEU A 52 -0.719 -21.161 -8.770 1.00 0.12 C ATOM 823 CD1 LEU A 52 0.268 -21.927 -7.879 1.00 0.18 C ATOM 824 CD2 LEU A 52 -0.854 -21.960 -10.073 1.00 0.02 C ATOM 0 H LEU A 52 -2.834 -18.826 -9.348 1.00 0.06 H new ATOM 0 HA LEU A 52 -3.261 -21.809 -9.598 1.00 0.18 H new ATOM 0 HB2 LEU A 52 -2.044 -20.085 -7.408 1.00 0.25 H new ATOM 0 HB3 LEU A 52 -2.238 -21.826 -7.349 1.00 0.25 H new ATOM 0 HG LEU A 52 -0.369 -20.155 -9.003 1.00 0.12 H new ATOM 0 HD11 LEU A 52 1.215 -22.048 -8.405 1.00 0.18 H new ATOM 0 HD12 LEU A 52 0.434 -21.370 -6.957 1.00 0.18 H new ATOM 0 HD13 LEU A 52 -0.143 -22.908 -7.641 1.00 0.18 H new ATOM 0 HD21 LEU A 52 0.123 -22.050 -10.547 1.00 0.02 H new ATOM 0 HD22 LEU A 52 -1.243 -22.954 -9.852 1.00 0.02 H new ATOM 0 HD23 LEU A 52 -1.538 -21.444 -10.747 1.00 0.02 H new ATOM 836 N TRP A 53 -4.722 -20.913 -7.009 1.00 0.26 N ATOM 837 CA TRP A 53 -6.092 -20.727 -6.407 1.00 0.25 C ATOM 838 C TRP A 53 -6.123 -20.099 -5.027 1.00 0.21 C ATOM 839 O TRP A 53 -5.244 -20.289 -4.217 1.00 0.22 O ATOM 840 CB TRP A 53 -6.788 -22.079 -6.272 1.00 0.31 C ATOM 841 CG TRP A 53 -7.205 -22.528 -7.660 1.00 0.35 C ATOM 842 CD1 TRP A 53 -6.544 -23.439 -8.378 1.00 0.41 C ATOM 843 CD2 TRP A 53 -8.194 -21.998 -8.372 1.00 0.35 C ATOM 844 NE1 TRP A 53 -7.184 -23.429 -9.554 1.00 0.44 N ATOM 845 CE2 TRP A 53 -8.223 -22.552 -9.638 1.00 0.40 C ATOM 846 CE3 TRP A 53 -9.081 -20.987 -8.036 1.00 0.31 C ATOM 847 CZ2 TRP A 53 -9.138 -22.092 -10.567 1.00 0.41 C ATOM 848 CZ3 TRP A 53 -9.982 -20.527 -8.972 1.00 0.31 C ATOM 849 CH2 TRP A 53 -10.011 -21.081 -10.232 1.00 0.37 C ATOM 0 H TRP A 53 -3.970 -21.171 -6.370 1.00 0.26 H new ATOM 0 HA TRP A 53 -6.589 -20.043 -7.096 1.00 0.25 H new ATOM 0 HB2 TRP A 53 -6.118 -22.810 -5.820 1.00 0.31 H new ATOM 0 HB3 TRP A 53 -7.658 -21.997 -5.620 1.00 0.31 H new ATOM 0 HD1 TRP A 53 -5.697 -24.040 -8.082 1.00 0.41 H new ATOM 0 HE1 TRP A 53 -6.914 -24.033 -10.330 1.00 0.44 H new ATOM 0 HE3 TRP A 53 -9.066 -20.561 -7.044 1.00 0.31 H new ATOM 0 HZ2 TRP A 53 -9.168 -22.526 -11.556 1.00 0.41 H new ATOM 0 HZ3 TRP A 53 -10.666 -19.731 -8.717 1.00 0.31 H new ATOM 0 HH2 TRP A 53 -10.722 -20.721 -10.961 1.00 0.37 H new ATOM 860 N PHE A 54 -7.147 -19.319 -4.805 1.00 0.17 N ATOM 861 CA PHE A 54 -7.288 -18.664 -3.489 1.00 0.12 C ATOM 862 C PHE A 54 -8.791 -18.566 -3.133 1.00 0.11 C ATOM 863 O PHE A 54 -9.572 -18.066 -3.909 1.00 0.09 O ATOM 864 CB PHE A 54 -6.710 -17.233 -3.470 1.00 0.05 C ATOM 865 CG PHE A 54 -6.097 -16.829 -4.784 1.00 0.04 C ATOM 866 CD1 PHE A 54 -4.987 -17.474 -5.265 1.00 0.09 C ATOM 867 CD2 PHE A 54 -6.660 -15.803 -5.518 1.00 0.08 C ATOM 868 CE1 PHE A 54 -4.456 -17.118 -6.469 1.00 0.10 C ATOM 869 CE2 PHE A 54 -6.139 -15.445 -6.709 1.00 0.12 C ATOM 870 CZ PHE A 54 -5.024 -16.108 -7.198 1.00 0.12 C ATOM 0 H PHE A 54 -7.884 -19.113 -5.479 1.00 0.17 H new ATOM 0 HA PHE A 54 -6.734 -19.269 -2.771 1.00 0.12 H new ATOM 0 HB2 PHE A 54 -7.503 -16.530 -3.214 1.00 0.05 H new ATOM 0 HB3 PHE A 54 -5.956 -17.162 -2.686 1.00 0.05 H new ATOM 0 HD1 PHE A 54 -4.532 -18.266 -4.689 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -7.525 -15.283 -5.134 1.00 0.08 H new ATOM 0 HE1 PHE A 54 -3.586 -17.633 -6.848 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -6.588 -14.645 -7.279 1.00 0.12 H new ATOM 0 HZ PHE A 54 -4.604 -15.828 -8.153 1.00 0.12 H new ATOM 880 N PRO A 55 -9.173 -19.038 -1.970 1.00 0.11 N ATOM 881 CA PRO A 55 -10.584 -18.996 -1.526 1.00 0.11 C ATOM 882 C PRO A 55 -11.228 -17.619 -1.579 1.00 0.12 C ATOM 883 O PRO A 55 -10.565 -16.603 -1.510 1.00 0.14 O ATOM 884 CB PRO A 55 -10.510 -19.366 -0.055 1.00 0.11 C ATOM 885 CG PRO A 55 -9.110 -19.990 0.199 1.00 0.13 C ATOM 886 CD PRO A 55 -8.247 -19.627 -0.982 1.00 0.14 C ATOM 0 HA PRO A 55 -11.176 -19.643 -2.174 1.00 0.11 H new ATOM 0 HB2 PRO A 55 -10.656 -18.485 0.570 1.00 0.11 H new ATOM 0 HB3 PRO A 55 -11.298 -20.074 0.203 1.00 0.11 H new ATOM 0 HG2 PRO A 55 -8.679 -19.607 1.124 1.00 0.13 H new ATOM 0 HG3 PRO A 55 -9.183 -21.072 0.305 1.00 0.13 H new ATOM 0 HD2 PRO A 55 -7.470 -18.917 -0.699 1.00 0.14 H new ATOM 0 HD3 PRO A 55 -7.745 -20.505 -1.388 1.00 0.14 H new ATOM 894 N SER A 56 -12.523 -17.635 -1.702 1.00 0.13 N ATOM 895 CA SER A 56 -13.277 -16.370 -1.750 1.00 0.15 C ATOM 896 C SER A 56 -13.663 -16.151 -0.311 1.00 0.18 C ATOM 897 O SER A 56 -14.441 -15.286 0.043 1.00 0.21 O ATOM 898 CB SER A 56 -14.549 -16.538 -2.592 1.00 0.10 C ATOM 899 OG SER A 56 -15.183 -15.270 -2.507 1.00 2.25 O ATOM 0 H SER A 56 -13.090 -18.480 -1.771 1.00 0.13 H new ATOM 0 HA SER A 56 -12.706 -15.551 -2.188 1.00 0.15 H new ATOM 0 HB2 SER A 56 -14.314 -16.799 -3.624 1.00 0.10 H new ATOM 0 HB3 SER A 56 -15.186 -17.331 -2.200 1.00 0.10 H new ATOM 0 HG SER A 56 -15.074 -14.910 -1.602 1.00 2.25 H new ATOM 905 N ASN A 57 -13.055 -16.992 0.488 1.00 0.18 N ATOM 906 CA ASN A 57 -13.266 -16.982 1.930 1.00 0.22 C ATOM 907 C ASN A 57 -11.990 -16.458 2.552 1.00 0.24 C ATOM 908 O ASN A 57 -11.928 -16.195 3.739 1.00 0.27 O ATOM 909 CB ASN A 57 -13.500 -18.446 2.375 1.00 0.20 C ATOM 910 CG ASN A 57 -14.730 -18.506 3.287 1.00 0.57 C ATOM 911 OD1 ASN A 57 -15.856 -18.476 2.832 1.00 0.91 O ATOM 912 ND2 ASN A 57 -14.556 -18.586 4.578 1.00 0.84 N ATOM 0 H ASN A 57 -12.400 -17.705 0.167 1.00 0.18 H new ATOM 0 HA ASN A 57 -14.116 -16.366 2.225 1.00 0.22 H new ATOM 0 HB2 ASN A 57 -13.647 -19.084 1.504 1.00 0.20 H new ATOM 0 HB3 ASN A 57 -12.623 -18.823 2.902 1.00 0.20 H new ATOM 0 HD21 ASN A 57 -15.363 -18.623 5.200 1.00 0.84 H new ATOM 0 HD22 ASN A 57 -13.613 -18.612 4.965 1.00 0.84 H new ATOM 919 N TYR A 58 -10.989 -16.320 1.706 1.00 0.23 N ATOM 920 CA TYR A 58 -9.679 -15.811 2.193 1.00 0.28 C ATOM 921 C TYR A 58 -9.269 -14.479 1.530 1.00 0.38 C ATOM 922 O TYR A 58 -8.631 -13.658 2.160 1.00 0.96 O ATOM 923 CB TYR A 58 -8.576 -16.847 1.879 1.00 0.22 C ATOM 924 CG TYR A 58 -8.499 -17.943 2.968 1.00 0.10 C ATOM 925 CD1 TYR A 58 -9.549 -18.845 3.188 1.00 0.09 C ATOM 926 CD2 TYR A 58 -7.366 -18.041 3.763 1.00 0.08 C ATOM 927 CE1 TYR A 58 -9.457 -19.789 4.191 1.00 0.09 C ATOM 928 CE2 TYR A 58 -7.289 -18.995 4.761 1.00 0.22 C ATOM 929 CZ TYR A 58 -8.330 -19.873 4.980 1.00 0.22 C ATOM 930 OH TYR A 58 -8.239 -20.828 5.973 1.00 0.37 O ATOM 0 H TYR A 58 -11.030 -16.538 0.710 1.00 0.23 H new ATOM 0 HA TYR A 58 -9.789 -15.644 3.265 1.00 0.28 H new ATOM 0 HB2 TYR A 58 -8.774 -17.308 0.911 1.00 0.22 H new ATOM 0 HB3 TYR A 58 -7.613 -16.342 1.801 1.00 0.22 H new ATOM 0 HD1 TYR A 58 -10.434 -18.801 2.570 1.00 0.09 H new ATOM 0 HD2 TYR A 58 -6.538 -17.367 3.601 1.00 0.08 H new ATOM 0 HE1 TYR A 58 -10.278 -20.470 4.360 1.00 0.09 H new ATOM 0 HE2 TYR A 58 -6.403 -19.053 5.376 1.00 0.22 H new ATOM 0 HH TYR A 58 -7.376 -20.744 6.430 1.00 0.37 H new ATOM 940 N VAL A 59 -9.644 -14.281 0.280 1.00 0.24 N ATOM 941 CA VAL A 59 -9.266 -13.003 -0.413 1.00 0.17 C ATOM 942 C VAL A 59 -10.428 -12.021 -0.583 1.00 0.23 C ATOM 943 O VAL A 59 -11.556 -12.303 -0.233 1.00 0.36 O ATOM 944 CB VAL A 59 -8.775 -13.363 -1.817 1.00 0.22 C ATOM 945 CG1 VAL A 59 -7.649 -14.375 -1.677 1.00 0.31 C ATOM 946 CG2 VAL A 59 -9.933 -13.956 -2.648 1.00 0.36 C ATOM 0 H VAL A 59 -10.186 -14.939 -0.280 1.00 0.24 H new ATOM 0 HA VAL A 59 -8.512 -12.517 0.207 1.00 0.17 H new ATOM 0 HB VAL A 59 -8.414 -12.473 -2.332 1.00 0.22 H new ATOM 0 HG11 VAL A 59 -7.281 -14.649 -2.666 1.00 0.31 H new ATOM 0 HG12 VAL A 59 -6.837 -13.938 -1.096 1.00 0.31 H new ATOM 0 HG13 VAL A 59 -8.021 -15.265 -1.169 1.00 0.31 H new ATOM 0 HG21 VAL A 59 -9.573 -14.209 -3.645 1.00 0.36 H new ATOM 0 HG22 VAL A 59 -10.309 -14.855 -2.159 1.00 0.36 H new ATOM 0 HG23 VAL A 59 -10.736 -13.224 -2.727 1.00 0.36 H new ATOM 956 N GLU A 60 -10.102 -10.875 -1.139 1.00 0.17 N ATOM 957 CA GLU A 60 -11.129 -9.823 -1.370 1.00 0.23 C ATOM 958 C GLU A 60 -10.554 -8.690 -2.228 1.00 0.17 C ATOM 959 O GLU A 60 -9.426 -8.276 -2.042 1.00 0.18 O ATOM 960 CB GLU A 60 -11.563 -9.260 -0.017 1.00 0.31 C ATOM 961 CG GLU A 60 -12.956 -8.651 -0.149 1.00 0.70 C ATOM 962 CD GLU A 60 -14.003 -9.750 0.045 1.00 2.18 C ATOM 963 OE1 GLU A 60 -14.112 -10.559 -0.862 1.00 3.50 O ATOM 964 OE2 GLU A 60 -14.633 -9.719 1.089 1.00 3.00 O ATOM 0 H GLU A 60 -9.160 -10.628 -1.442 1.00 0.17 H new ATOM 0 HA GLU A 60 -11.980 -10.259 -1.894 1.00 0.23 H new ATOM 0 HB2 GLU A 60 -11.568 -10.050 0.734 1.00 0.31 H new ATOM 0 HB3 GLU A 60 -10.853 -8.504 0.320 1.00 0.31 H new ATOM 0 HG2 GLU A 60 -13.094 -7.865 0.593 1.00 0.70 H new ATOM 0 HG3 GLU A 60 -13.073 -8.189 -1.129 1.00 0.70 H new