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 Set 1.1: A 33 ASN : amide:sc= -2.29 K(o=-3.9,f=-5.6!) USER MOD Set 1.2: A 51 GLN :FLIP amide:sc= -1.63 F(o=-7.4,f=-3.9) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -35:sc= -2.05! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.0733 X(o=-0.073,f=0) USER MOD Single : A 24 THR OG1 : rot -74:sc= 0.293 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 106:sc= -0.173! USER MOD Single : A 32 GLN : amide:sc= -0.497 X(o=-0.5,f=-0.072) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= -2.03! (180deg=-2.15!) USER MOD Single : A 56 SER OG : rot -86:sc= 0.877 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 -6.260 -6.690 -9.159 1.00 0.48 N ATOM 103 CA ALA A 8 -5.584 -7.368 -8.021 1.00 0.33 C ATOM 104 C ALA A 8 -6.512 -7.536 -6.825 1.00 0.32 C ATOM 105 O ALA A 8 -7.690 -7.248 -6.885 1.00 0.56 O ATOM 106 CB ALA A 8 -4.395 -6.504 -7.584 1.00 0.24 C ATOM 0 HA ALA A 8 -5.270 -8.358 -8.353 1.00 0.33 H new ATOM 0 HB1 ALA A 8 -3.884 -6.984 -6.749 1.00 0.24 H new ATOM 0 HB2 ALA A 8 -3.701 -6.391 -8.417 1.00 0.24 H new ATOM 0 HB3 ALA A 8 -4.753 -5.522 -7.275 1.00 0.24 H new ATOM 112 N VAL A 9 -5.936 -8.009 -5.760 1.00 0.22 N ATOM 113 CA VAL A 9 -6.703 -8.229 -4.521 1.00 0.29 C ATOM 114 C VAL A 9 -5.733 -8.171 -3.349 1.00 0.27 C ATOM 115 O VAL A 9 -4.565 -7.889 -3.515 1.00 0.21 O ATOM 116 CB VAL A 9 -7.368 -9.625 -4.611 1.00 0.52 C ATOM 117 CG1 VAL A 9 -6.339 -10.665 -5.056 1.00 1.66 C ATOM 118 CG2 VAL A 9 -7.990 -10.054 -3.292 1.00 1.76 C ATOM 0 H VAL A 9 -4.948 -8.255 -5.701 1.00 0.22 H new ATOM 0 HA VAL A 9 -7.475 -7.472 -4.384 1.00 0.29 H new ATOM 0 HB VAL A 9 -8.170 -9.554 -5.346 1.00 0.52 H new ATOM 0 HG11 VAL A 9 -6.814 -11.644 -5.117 1.00 1.66 H new ATOM 0 HG12 VAL A 9 -5.945 -10.391 -6.035 1.00 1.66 H new ATOM 0 HG13 VAL A 9 -5.523 -10.702 -4.334 1.00 1.66 H new ATOM 0 HG21 VAL A 9 -8.443 -11.039 -3.407 1.00 1.76 H new ATOM 0 HG22 VAL A 9 -7.219 -10.097 -2.523 1.00 1.76 H new ATOM 0 HG23 VAL A 9 -8.755 -9.335 -2.999 1.00 1.76 H new ATOM 128 N LYS A 10 -6.241 -8.417 -2.198 1.00 0.36 N ATOM 129 CA LYS A 10 -5.380 -8.390 -0.983 1.00 0.40 C ATOM 130 C LYS A 10 -5.816 -9.482 0.006 1.00 0.48 C ATOM 131 O LYS A 10 -6.765 -9.307 0.745 1.00 0.75 O ATOM 132 CB LYS A 10 -5.536 -7.021 -0.315 1.00 0.42 C ATOM 133 CG LYS A 10 -4.314 -6.746 0.566 1.00 0.41 C ATOM 134 CD LYS A 10 -4.693 -5.712 1.628 1.00 0.65 C ATOM 135 CE LYS A 10 -3.442 -4.957 2.074 1.00 0.93 C ATOM 136 NZ LYS A 10 -3.746 -4.126 3.272 1.00 1.37 N ATOM 0 H LYS A 10 -7.222 -8.639 -2.030 1.00 0.36 H new ATOM 0 HA LYS A 10 -4.343 -8.568 -1.267 1.00 0.40 H new ATOM 0 HB2 LYS A 10 -5.635 -6.243 -1.072 1.00 0.42 H new ATOM 0 HB3 LYS A 10 -6.445 -6.998 0.286 1.00 0.42 H new ATOM 0 HG2 LYS A 10 -3.976 -7.667 1.040 1.00 0.41 H new ATOM 0 HG3 LYS A 10 -3.487 -6.378 -0.041 1.00 0.41 H new ATOM 0 HD2 LYS A 10 -5.428 -5.014 1.226 1.00 0.65 H new ATOM 0 HD3 LYS A 10 -5.157 -6.206 2.482 1.00 0.65 H new ATOM 0 HE2 LYS A 10 -2.644 -5.663 2.304 1.00 0.93 H new ATOM 0 HE3 LYS A 10 -3.082 -4.323 1.264 1.00 0.93 H new ATOM 0 HZ1 LYS A 10 -2.889 -3.616 3.568 1.00 1.37 H new ATOM 0 HZ2 LYS A 10 -4.493 -3.441 3.039 1.00 1.37 H new ATOM 0 HZ3 LYS A 10 -4.069 -4.740 4.047 1.00 1.37 H new ATOM 150 N ALA A 11 -5.116 -10.590 -0.004 1.00 0.24 N ATOM 151 CA ALA A 11 -5.472 -11.709 0.927 1.00 0.29 C ATOM 152 C ALA A 11 -5.648 -11.228 2.369 1.00 0.31 C ATOM 153 O ALA A 11 -4.726 -10.718 2.973 1.00 0.32 O ATOM 154 CB ALA A 11 -4.335 -12.732 0.887 1.00 0.30 C ATOM 0 H ALA A 11 -4.317 -10.769 -0.613 1.00 0.24 H new ATOM 0 HA ALA A 11 -6.420 -12.139 0.604 1.00 0.29 H new ATOM 0 HB1 ALA A 11 -4.567 -13.560 1.557 1.00 0.30 H new ATOM 0 HB2 ALA A 11 -4.220 -13.109 -0.129 1.00 0.30 H new ATOM 0 HB3 ALA A 11 -3.407 -12.257 1.205 1.00 0.30 H new ATOM 160 N LEU A 12 -6.835 -11.415 2.901 1.00 0.34 N ATOM 161 CA LEU A 12 -7.090 -10.973 4.303 1.00 0.34 C ATOM 162 C LEU A 12 -6.645 -12.040 5.294 1.00 0.42 C ATOM 163 O LEU A 12 -6.678 -11.829 6.492 1.00 0.82 O ATOM 164 CB LEU A 12 -8.603 -10.727 4.509 1.00 0.27 C ATOM 165 CG LEU A 12 -9.210 -10.033 3.278 1.00 0.28 C ATOM 166 CD1 LEU A 12 -10.726 -9.915 3.471 1.00 0.19 C ATOM 167 CD2 LEU A 12 -8.607 -8.630 3.124 1.00 0.32 C ATOM 0 H LEU A 12 -7.627 -11.850 2.428 1.00 0.34 H new ATOM 0 HA LEU A 12 -6.526 -10.056 4.473 1.00 0.34 H new ATOM 0 HB2 LEU A 12 -9.111 -11.675 4.686 1.00 0.27 H new ATOM 0 HB3 LEU A 12 -8.760 -10.111 5.395 1.00 0.27 H new ATOM 0 HG LEU A 12 -8.992 -10.617 2.384 1.00 0.28 H new ATOM 0 HD11 LEU A 12 -11.166 -9.424 2.603 1.00 0.19 H new ATOM 0 HD12 LEU A 12 -11.157 -10.910 3.582 1.00 0.19 H new ATOM 0 HD13 LEU A 12 -10.934 -9.327 4.365 1.00 0.19 H new ATOM 0 HD21 LEU A 12 -9.040 -8.142 2.251 1.00 0.32 H new ATOM 0 HD22 LEU A 12 -8.825 -8.041 4.015 1.00 0.32 H new ATOM 0 HD23 LEU A 12 -7.527 -8.710 2.997 1.00 0.32 H new ATOM 179 N PHE A 13 -6.244 -13.169 4.780 1.00 0.27 N ATOM 180 CA PHE A 13 -5.793 -14.260 5.683 1.00 0.31 C ATOM 181 C PHE A 13 -4.629 -15.013 5.046 1.00 0.42 C ATOM 182 O PHE A 13 -4.472 -15.013 3.841 1.00 1.02 O ATOM 183 CB PHE A 13 -6.979 -15.207 5.952 1.00 0.16 C ATOM 184 CG PHE A 13 -8.032 -14.449 6.782 1.00 0.55 C ATOM 185 CD1 PHE A 13 -7.698 -13.916 8.020 1.00 1.40 C ATOM 186 CD2 PHE A 13 -9.298 -14.198 6.269 1.00 0.99 C ATOM 187 CE1 PHE A 13 -8.601 -13.142 8.720 1.00 1.89 C ATOM 188 CE2 PHE A 13 -10.192 -13.416 6.971 1.00 1.52 C ATOM 189 CZ PHE A 13 -9.848 -12.892 8.195 1.00 1.79 C ATOM 0 H PHE A 13 -6.210 -13.381 3.783 1.00 0.27 H new ATOM 0 HA PHE A 13 -5.448 -13.844 6.630 1.00 0.31 H new ATOM 0 HB2 PHE A 13 -7.412 -15.548 5.012 1.00 0.16 H new ATOM 0 HB3 PHE A 13 -6.641 -16.094 6.488 1.00 0.16 H new ATOM 0 HD1 PHE A 13 -6.722 -14.109 8.439 1.00 1.40 H new ATOM 0 HD2 PHE A 13 -9.584 -14.617 5.316 1.00 0.99 H new ATOM 0 HE1 PHE A 13 -8.328 -12.732 9.681 1.00 1.89 H new ATOM 0 HE2 PHE A 13 -11.169 -13.214 6.556 1.00 1.52 H new ATOM 0 HZ PHE A 13 -10.555 -12.286 8.743 1.00 1.79 H new ATOM 199 N ASP A 14 -3.828 -15.638 5.866 1.00 0.40 N ATOM 200 CA ASP A 14 -2.671 -16.383 5.308 1.00 0.39 C ATOM 201 C ASP A 14 -3.046 -17.759 4.780 1.00 0.34 C ATOM 202 O ASP A 14 -4.053 -18.326 5.142 1.00 0.38 O ATOM 203 CB ASP A 14 -1.625 -16.566 6.413 1.00 0.53 C ATOM 204 CG ASP A 14 -2.305 -16.514 7.782 1.00 0.60 C ATOM 205 OD1 ASP A 14 -2.648 -15.413 8.174 1.00 0.54 O ATOM 206 OD2 ASP A 14 -2.442 -17.581 8.359 1.00 0.72 O ATOM 0 H ASP A 14 -3.924 -15.664 6.881 1.00 0.40 H new ATOM 0 HA ASP A 14 -2.288 -15.800 4.471 1.00 0.39 H new ATOM 0 HB2 ASP A 14 -1.112 -17.520 6.287 1.00 0.53 H new ATOM 0 HB3 ASP A 14 -0.868 -15.785 6.343 1.00 0.53 H new ATOM 211 N TYR A 15 -2.194 -18.265 3.932 1.00 0.35 N ATOM 212 CA TYR A 15 -2.419 -19.601 3.328 1.00 0.33 C ATOM 213 C TYR A 15 -1.108 -20.391 3.391 1.00 0.38 C ATOM 214 O TYR A 15 -0.083 -19.847 3.749 1.00 0.40 O ATOM 215 CB TYR A 15 -2.799 -19.408 1.852 1.00 0.26 C ATOM 216 CG TYR A 15 -3.558 -20.632 1.354 1.00 0.25 C ATOM 217 CD1 TYR A 15 -2.874 -21.769 0.997 1.00 0.24 C ATOM 218 CD2 TYR A 15 -4.934 -20.640 1.317 1.00 0.24 C ATOM 219 CE1 TYR A 15 -3.532 -22.902 0.628 1.00 0.23 C ATOM 220 CE2 TYR A 15 -5.616 -21.783 0.934 1.00 0.23 C ATOM 221 CZ TYR A 15 -4.913 -22.932 0.593 1.00 0.23 C ATOM 222 OH TYR A 15 -5.578 -24.101 0.283 1.00 0.23 O ATOM 0 H TYR A 15 -1.339 -17.799 3.630 1.00 0.35 H new ATOM 0 HA TYR A 15 -3.209 -20.131 3.860 1.00 0.33 H new ATOM 0 HB2 TYR A 15 -3.414 -18.515 1.738 1.00 0.26 H new ATOM 0 HB3 TYR A 15 -1.902 -19.255 1.252 1.00 0.26 H new ATOM 0 HD1 TYR A 15 -1.794 -21.764 1.009 1.00 0.24 H new ATOM 0 HD2 TYR A 15 -5.484 -19.751 1.588 1.00 0.24 H new ATOM 0 HE1 TYR A 15 -2.970 -23.785 0.360 1.00 0.23 H new ATOM 0 HE2 TYR A 15 -6.695 -21.781 0.900 1.00 0.23 H new ATOM 0 HH TYR A 15 -5.063 -24.604 -0.382 1.00 0.23 H new ATOM 232 N LYS A 16 -1.150 -21.649 3.055 1.00 0.41 N ATOM 233 CA LYS A 16 0.110 -22.443 3.101 1.00 0.47 C ATOM 234 C LYS A 16 0.144 -23.599 2.099 1.00 0.41 C ATOM 235 O LYS A 16 0.329 -24.735 2.480 1.00 0.52 O ATOM 236 CB LYS A 16 0.306 -23.014 4.507 1.00 0.63 C ATOM 237 CG LYS A 16 1.805 -23.310 4.692 1.00 0.71 C ATOM 238 CD LYS A 16 2.015 -24.549 5.580 1.00 1.02 C ATOM 239 CE LYS A 16 1.762 -24.187 7.046 1.00 0.68 C ATOM 240 NZ LYS A 16 2.240 -25.284 7.934 1.00 0.66 N ATOM 0 H LYS A 16 -1.984 -22.155 2.756 1.00 0.41 H new ATOM 0 HA LYS A 16 0.912 -21.756 2.832 1.00 0.47 H new ATOM 0 HB2 LYS A 16 -0.038 -22.304 5.259 1.00 0.63 H new ATOM 0 HB3 LYS A 16 -0.281 -23.923 4.635 1.00 0.63 H new ATOM 0 HG2 LYS A 16 2.270 -23.471 3.720 1.00 0.71 H new ATOM 0 HG3 LYS A 16 2.297 -22.448 5.142 1.00 0.71 H new ATOM 0 HD2 LYS A 16 1.340 -25.347 5.272 1.00 1.02 H new ATOM 0 HD3 LYS A 16 3.031 -24.926 5.459 1.00 1.02 H new ATOM 0 HE2 LYS A 16 2.276 -23.258 7.293 1.00 0.68 H new ATOM 0 HE3 LYS A 16 0.698 -24.015 7.208 1.00 0.68 H new ATOM 0 HZ1 LYS A 16 2.064 -25.029 8.927 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 1.731 -26.162 7.707 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 3.260 -25.428 7.789 1.00 0.66 H new ATOM 254 N ALA A 17 -0.030 -23.293 0.837 1.00 0.26 N ATOM 255 CA ALA A 17 0.002 -24.372 -0.191 1.00 0.23 C ATOM 256 C ALA A 17 1.345 -24.309 -0.870 1.00 0.21 C ATOM 257 O ALA A 17 2.037 -25.293 -1.041 1.00 0.25 O ATOM 258 CB ALA A 17 -1.023 -24.119 -1.294 1.00 0.22 C ATOM 0 H ALA A 17 -0.191 -22.352 0.479 1.00 0.26 H new ATOM 0 HA ALA A 17 -0.201 -25.322 0.302 1.00 0.23 H new ATOM 0 HB1 ALA A 17 -0.974 -24.924 -2.028 1.00 0.22 H new ATOM 0 HB2 ALA A 17 -2.023 -24.083 -0.861 1.00 0.22 H new ATOM 0 HB3 ALA A 17 -0.805 -23.169 -1.782 1.00 0.22 H new ATOM 264 N GLN A 18 1.633 -23.100 -1.260 1.00 0.26 N ATOM 265 CA GLN A 18 2.909 -22.769 -1.960 1.00 0.34 C ATOM 266 C GLN A 18 2.929 -23.339 -3.371 1.00 0.44 C ATOM 267 O GLN A 18 3.506 -22.758 -4.269 1.00 0.62 O ATOM 268 CB GLN A 18 4.107 -23.350 -1.178 1.00 0.29 C ATOM 269 CG GLN A 18 5.419 -22.788 -1.754 1.00 0.42 C ATOM 270 CD GLN A 18 6.387 -22.458 -0.614 1.00 0.78 C ATOM 271 OE1 GLN A 18 7.048 -21.437 -0.623 1.00 1.29 O ATOM 272 NE2 GLN A 18 6.510 -23.294 0.379 1.00 1.25 N ATOM 0 H GLN A 18 1.017 -22.300 -1.118 1.00 0.26 H new ATOM 0 HA GLN A 18 2.983 -21.683 -2.014 1.00 0.34 H new ATOM 0 HB2 GLN A 18 4.023 -23.095 -0.122 1.00 0.29 H new ATOM 0 HB3 GLN A 18 4.105 -24.438 -1.245 1.00 0.29 H new ATOM 0 HG2 GLN A 18 5.871 -23.515 -2.429 1.00 0.42 H new ATOM 0 HG3 GLN A 18 5.215 -21.892 -2.341 1.00 0.42 H new ATOM 0 HE21 GLN A 18 5.959 -24.152 0.394 1.00 1.25 H new ATOM 0 HE22 GLN A 18 7.157 -23.090 1.141 1.00 1.25 H new ATOM 281 N ARG A 19 2.302 -24.465 -3.542 1.00 0.40 N ATOM 282 CA ARG A 19 2.277 -25.085 -4.890 1.00 0.62 C ATOM 283 C ARG A 19 1.331 -26.290 -4.903 1.00 0.67 C ATOM 284 O ARG A 19 1.768 -27.420 -4.998 1.00 0.72 O ATOM 285 CB ARG A 19 3.716 -25.540 -5.232 1.00 0.70 C ATOM 286 CG ARG A 19 3.957 -25.431 -6.740 1.00 0.27 C ATOM 287 CD ARG A 19 5.403 -25.845 -7.042 1.00 0.87 C ATOM 288 NE ARG A 19 6.210 -24.629 -7.355 1.00 1.51 N ATOM 289 CZ ARG A 19 7.484 -24.751 -7.619 1.00 2.53 C ATOM 290 NH1 ARG A 19 7.933 -25.902 -8.041 1.00 2.36 N ATOM 291 NH2 ARG A 19 8.265 -23.718 -7.455 1.00 4.62 N ATOM 0 H ARG A 19 1.809 -24.980 -2.812 1.00 0.40 H new ATOM 0 HA ARG A 19 1.920 -24.366 -5.627 1.00 0.62 H new ATOM 0 HB2 ARG A 19 4.438 -24.925 -4.695 1.00 0.70 H new ATOM 0 HB3 ARG A 19 3.868 -26.569 -4.905 1.00 0.70 H new ATOM 0 HG2 ARG A 19 3.260 -26.072 -7.281 1.00 0.27 H new ATOM 0 HG3 ARG A 19 3.779 -24.410 -7.078 1.00 0.27 H new ATOM 0 HD2 ARG A 19 5.830 -26.368 -6.186 1.00 0.87 H new ATOM 0 HD3 ARG A 19 5.427 -26.538 -7.883 1.00 0.87 H new ATOM 0 HE ARG A 19 5.770 -23.709 -7.363 1.00 1.51 H new ATOM 0 HH11 ARG A 19 7.292 -26.687 -8.160 1.00 2.36 H new ATOM 0 HH12 ARG A 19 8.924 -26.016 -8.252 1.00 2.36 H new ATOM 0 HH21 ARG A 19 7.878 -22.833 -7.126 1.00 4.62 H new ATOM 0 HH22 ARG A 19 9.262 -23.795 -7.656 1.00 4.62 H new ATOM 305 N GLU A 20 0.048 -26.029 -4.795 1.00 0.71 N ATOM 306 CA GLU A 20 -0.924 -27.179 -4.802 1.00 0.87 C ATOM 307 C GLU A 20 -2.074 -26.900 -5.749 1.00 0.77 C ATOM 308 O GLU A 20 -2.967 -27.707 -5.881 1.00 1.05 O ATOM 309 CB GLU A 20 -1.496 -27.376 -3.379 1.00 0.86 C ATOM 310 CG GLU A 20 -2.830 -26.619 -3.208 1.00 0.71 C ATOM 311 CD GLU A 20 -3.300 -26.739 -1.757 1.00 1.67 C ATOM 312 OE1 GLU A 20 -2.969 -27.752 -1.167 1.00 1.73 O ATOM 313 OE2 GLU A 20 -3.964 -25.813 -1.324 1.00 2.76 O ATOM 0 H GLU A 20 -0.362 -25.100 -4.705 1.00 0.71 H new ATOM 0 HA GLU A 20 -0.396 -28.075 -5.130 1.00 0.87 H new ATOM 0 HB2 GLU A 20 -1.650 -28.438 -3.189 1.00 0.86 H new ATOM 0 HB3 GLU A 20 -0.776 -27.022 -2.642 1.00 0.86 H new ATOM 0 HG2 GLU A 20 -2.702 -25.570 -3.475 1.00 0.71 H new ATOM 0 HG3 GLU A 20 -3.583 -27.030 -3.881 1.00 0.71 H new ATOM 320 N ASP A 21 -1.951 -25.784 -6.405 1.00 0.77 N ATOM 321 CA ASP A 21 -2.953 -25.273 -7.384 1.00 0.46 C ATOM 322 C ASP A 21 -3.464 -24.033 -6.670 1.00 0.42 C ATOM 323 O ASP A 21 -4.154 -23.191 -7.198 1.00 1.69 O ATOM 324 CB ASP A 21 -4.115 -26.263 -7.656 1.00 0.53 C ATOM 325 CG ASP A 21 -3.582 -27.542 -8.319 1.00 0.53 C ATOM 326 OD1 ASP A 21 -2.371 -27.689 -8.323 1.00 1.06 O ATOM 327 OD2 ASP A 21 -4.419 -28.300 -8.784 1.00 1.52 O ATOM 0 H ASP A 21 -1.146 -25.167 -6.295 1.00 0.77 H new ATOM 0 HA ASP A 21 -2.524 -25.102 -8.371 1.00 0.46 H new ATOM 0 HB2 ASP A 21 -4.616 -26.512 -6.721 1.00 0.53 H new ATOM 0 HB3 ASP A 21 -4.858 -25.794 -8.301 1.00 0.53 H new ATOM 332 N GLU A 22 -3.029 -23.990 -5.436 1.00 0.56 N ATOM 333 CA GLU A 22 -3.351 -22.902 -4.490 1.00 0.23 C ATOM 334 C GLU A 22 -1.973 -22.467 -3.954 1.00 0.18 C ATOM 335 O GLU A 22 -1.031 -23.195 -4.184 1.00 0.22 O ATOM 336 CB GLU A 22 -4.231 -23.521 -3.382 1.00 0.33 C ATOM 337 CG GLU A 22 -5.391 -22.603 -2.999 1.00 0.30 C ATOM 338 CD GLU A 22 -6.310 -23.346 -2.033 1.00 0.51 C ATOM 339 OE1 GLU A 22 -6.280 -24.565 -2.083 1.00 0.64 O ATOM 340 OE2 GLU A 22 -6.990 -22.656 -1.293 1.00 0.96 O ATOM 0 H GLU A 22 -2.430 -24.712 -5.035 1.00 0.56 H new ATOM 0 HA GLU A 22 -3.889 -22.053 -4.912 1.00 0.23 H new ATOM 0 HB2 GLU A 22 -4.623 -24.479 -3.722 1.00 0.33 H new ATOM 0 HB3 GLU A 22 -3.620 -23.721 -2.502 1.00 0.33 H new ATOM 0 HG2 GLU A 22 -5.013 -21.692 -2.535 1.00 0.30 H new ATOM 0 HG3 GLU A 22 -5.944 -22.302 -3.889 1.00 0.30 H new ATOM 347 N LEU A 23 -1.821 -21.316 -3.314 1.00 0.11 N ATOM 348 CA LEU A 23 -0.424 -20.963 -2.820 1.00 0.15 C ATOM 349 C LEU A 23 -0.395 -20.633 -1.352 1.00 0.15 C ATOM 350 O LEU A 23 -1.413 -20.433 -0.731 1.00 0.19 O ATOM 351 CB LEU A 23 0.169 -19.731 -3.510 1.00 0.25 C ATOM 352 CG LEU A 23 -0.429 -19.543 -4.891 1.00 0.32 C ATOM 353 CD1 LEU A 23 -1.261 -18.258 -4.988 1.00 0.38 C ATOM 354 CD2 LEU A 23 0.737 -19.472 -5.868 1.00 0.24 C ATOM 0 H LEU A 23 -2.556 -20.636 -3.118 1.00 0.11 H new ATOM 0 HA LEU A 23 0.154 -21.859 -3.047 1.00 0.15 H new ATOM 0 HB2 LEU A 23 -0.019 -18.844 -2.904 1.00 0.25 H new ATOM 0 HB3 LEU A 23 1.251 -19.839 -3.590 1.00 0.25 H new ATOM 0 HG LEU A 23 -1.101 -20.371 -5.115 1.00 0.32 H new ATOM 0 HD11 LEU A 23 -1.670 -18.164 -5.994 1.00 0.38 H new ATOM 0 HD12 LEU A 23 -2.077 -18.298 -4.267 1.00 0.38 H new ATOM 0 HD13 LEU A 23 -0.628 -17.397 -4.772 1.00 0.38 H new ATOM 0 HD21 LEU A 23 0.356 -19.336 -6.880 1.00 0.24 H new ATOM 0 HD22 LEU A 23 1.380 -18.631 -5.607 1.00 0.24 H new ATOM 0 HD23 LEU A 23 1.311 -20.397 -5.817 1.00 0.24 H new ATOM 366 N THR A 24 0.806 -20.489 -0.864 1.00 0.20 N ATOM 367 CA THR A 24 1.000 -20.165 0.557 1.00 0.29 C ATOM 368 C THR A 24 1.039 -18.680 0.728 1.00 0.31 C ATOM 369 O THR A 24 1.627 -18.174 1.665 1.00 0.40 O ATOM 370 CB THR A 24 2.346 -20.731 1.008 1.00 0.39 C ATOM 371 OG1 THR A 24 2.532 -20.260 2.334 1.00 0.50 O ATOM 372 CG2 THR A 24 3.481 -20.071 0.231 1.00 0.44 C ATOM 0 H THR A 24 1.665 -20.585 -1.405 1.00 0.20 H new ATOM 0 HA THR A 24 0.184 -20.588 1.143 1.00 0.29 H new ATOM 0 HB THR A 24 2.352 -21.814 0.884 1.00 0.39 H new ATOM 0 HG1 THR A 24 2.759 -19.307 2.314 1.00 0.50 H new ATOM 0 HG21 THR A 24 4.435 -20.482 0.561 1.00 0.44 H new ATOM 0 HG22 THR A 24 3.352 -20.263 -0.834 1.00 0.44 H new ATOM 0 HG23 THR A 24 3.468 -18.996 0.410 1.00 0.44 H new ATOM 380 N PHE A 25 0.437 -18.009 -0.195 1.00 0.26 N ATOM 381 CA PHE A 25 0.431 -16.546 -0.099 1.00 0.27 C ATOM 382 C PHE A 25 0.056 -16.172 1.329 1.00 0.29 C ATOM 383 O PHE A 25 -0.717 -16.860 1.964 1.00 0.35 O ATOM 384 CB PHE A 25 -0.556 -15.996 -1.112 1.00 0.21 C ATOM 385 CG PHE A 25 -1.925 -16.599 -0.892 1.00 0.21 C ATOM 386 CD1 PHE A 25 -2.781 -16.073 0.043 1.00 0.23 C ATOM 387 CD2 PHE A 25 -2.332 -17.654 -1.673 1.00 0.28 C ATOM 388 CE1 PHE A 25 -4.046 -16.597 0.188 1.00 0.25 C ATOM 389 CE2 PHE A 25 -3.568 -18.181 -1.545 1.00 0.35 C ATOM 390 CZ PHE A 25 -4.438 -17.656 -0.606 1.00 0.33 C ATOM 0 H PHE A 25 -0.045 -18.406 -1.001 1.00 0.26 H new ATOM 0 HA PHE A 25 1.409 -16.119 -0.323 1.00 0.27 H new ATOM 0 HB2 PHE A 25 -0.611 -14.911 -1.024 1.00 0.21 H new ATOM 0 HB3 PHE A 25 -0.212 -16.217 -2.122 1.00 0.21 H new ATOM 0 HD1 PHE A 25 -2.463 -15.249 0.664 1.00 0.23 H new ATOM 0 HD2 PHE A 25 -1.651 -18.069 -2.402 1.00 0.28 H new ATOM 0 HE1 PHE A 25 -4.726 -16.183 0.917 1.00 0.25 H new ATOM 0 HE2 PHE A 25 -3.875 -19.006 -2.171 1.00 0.35 H new ATOM 0 HZ PHE A 25 -5.427 -18.076 -0.494 1.00 0.33 H new ATOM 400 N ILE A 26 0.606 -15.099 1.803 1.00 0.30 N ATOM 401 CA ILE A 26 0.302 -14.671 3.194 1.00 0.30 C ATOM 402 C ILE A 26 -0.609 -13.461 3.266 1.00 0.18 C ATOM 403 O ILE A 26 -0.855 -12.797 2.280 1.00 0.13 O ATOM 404 CB ILE A 26 1.633 -14.287 3.826 1.00 0.41 C ATOM 405 CG1 ILE A 26 2.431 -13.456 2.820 1.00 0.50 C ATOM 406 CG2 ILE A 26 2.403 -15.577 4.142 1.00 0.38 C ATOM 407 CD1 ILE A 26 3.412 -12.550 3.569 1.00 0.74 C ATOM 0 H ILE A 26 1.252 -14.498 1.292 1.00 0.30 H new ATOM 0 HA ILE A 26 -0.210 -15.488 3.701 1.00 0.30 H new ATOM 0 HB ILE A 26 1.476 -13.710 4.737 1.00 0.41 H new ATOM 0 HG12 ILE A 26 2.973 -14.112 2.139 1.00 0.50 H new ATOM 0 HG13 ILE A 26 1.755 -12.854 2.212 1.00 0.50 H new ATOM 0 HG21 ILE A 26 3.362 -15.327 4.596 1.00 0.38 H new ATOM 0 HG22 ILE A 26 1.822 -16.187 4.834 1.00 0.38 H new ATOM 0 HG23 ILE A 26 2.573 -16.134 3.221 1.00 0.38 H new ATOM 0 HD11 ILE A 26 3.981 -11.958 2.852 1.00 0.74 H new ATOM 0 HD12 ILE A 26 2.859 -11.884 4.232 1.00 0.74 H new ATOM 0 HD13 ILE A 26 4.096 -13.162 4.157 1.00 0.74 H new ATOM 419 N LYS A 27 -1.103 -13.203 4.448 1.00 0.23 N ATOM 420 CA LYS A 27 -1.989 -12.052 4.619 1.00 0.26 C ATOM 421 C LYS A 27 -1.269 -10.838 4.094 1.00 0.24 C ATOM 422 O LYS A 27 -0.119 -10.619 4.407 1.00 0.26 O ATOM 423 CB LYS A 27 -2.274 -11.857 6.117 1.00 0.35 C ATOM 424 CG LYS A 27 -3.234 -10.674 6.320 1.00 0.56 C ATOM 425 CD LYS A 27 -2.774 -9.865 7.535 1.00 1.24 C ATOM 426 CE LYS A 27 -2.747 -10.775 8.768 1.00 1.70 C ATOM 427 NZ LYS A 27 -3.084 -10.002 9.999 1.00 1.65 N ATOM 0 H LYS A 27 -0.923 -13.748 5.291 1.00 0.23 H new ATOM 0 HA LYS A 27 -2.928 -12.205 4.087 1.00 0.26 H new ATOM 0 HB2 LYS A 27 -2.710 -12.765 6.534 1.00 0.35 H new ATOM 0 HB3 LYS A 27 -1.342 -11.676 6.652 1.00 0.35 H new ATOM 0 HG2 LYS A 27 -3.249 -10.044 5.431 1.00 0.56 H new ATOM 0 HG3 LYS A 27 -4.251 -11.036 6.471 1.00 0.56 H new ATOM 0 HD2 LYS A 27 -1.783 -9.448 7.355 1.00 1.24 H new ATOM 0 HD3 LYS A 27 -3.448 -9.025 7.703 1.00 1.24 H new ATOM 0 HE2 LYS A 27 -3.457 -11.592 8.639 1.00 1.70 H new ATOM 0 HE3 LYS A 27 -1.760 -11.225 8.873 1.00 1.70 H new ATOM 0 HZ1 LYS A 27 -3.061 -10.635 10.824 1.00 1.65 H new ATOM 0 HZ2 LYS A 27 -2.391 -9.238 10.130 1.00 1.65 H new ATOM 0 HZ3 LYS A 27 -4.036 -9.594 9.903 1.00 1.65 H new ATOM 441 N SER A 28 -1.979 -10.129 3.282 1.00 0.29 N ATOM 442 CA SER A 28 -1.468 -8.885 2.641 1.00 0.35 C ATOM 443 C SER A 28 -0.999 -9.166 1.220 1.00 0.30 C ATOM 444 O SER A 28 -0.805 -8.255 0.441 1.00 0.42 O ATOM 445 CB SER A 28 -0.301 -8.280 3.441 1.00 0.37 C ATOM 446 OG SER A 28 -0.706 -8.392 4.800 1.00 2.64 O ATOM 0 H SER A 28 -2.936 -10.365 3.020 1.00 0.29 H new ATOM 0 HA SER A 28 -2.292 -8.172 2.622 1.00 0.35 H new ATOM 0 HB2 SER A 28 0.628 -8.820 3.258 1.00 0.37 H new ATOM 0 HB3 SER A 28 -0.126 -7.241 3.163 1.00 0.37 H new ATOM 0 HG SER A 28 -0.201 -9.111 5.234 1.00 2.64 H new ATOM 452 N ALA A 29 -0.812 -10.422 0.910 1.00 0.15 N ATOM 453 CA ALA A 29 -0.357 -10.771 -0.460 1.00 0.09 C ATOM 454 C ALA A 29 -1.216 -10.022 -1.469 1.00 0.09 C ATOM 455 O ALA A 29 -2.358 -9.735 -1.186 1.00 0.23 O ATOM 456 CB ALA A 29 -0.551 -12.279 -0.663 1.00 0.12 C ATOM 0 H ALA A 29 -0.954 -11.211 1.541 1.00 0.15 H new ATOM 0 HA ALA A 29 0.691 -10.502 -0.594 1.00 0.09 H new ATOM 0 HB1 ALA A 29 -0.222 -12.557 -1.665 1.00 0.12 H new ATOM 0 HB2 ALA A 29 0.037 -12.824 0.076 1.00 0.12 H new ATOM 0 HB3 ALA A 29 -1.605 -12.529 -0.545 1.00 0.12 H new ATOM 462 N ILE A 30 -0.671 -9.728 -2.624 1.00 0.14 N ATOM 463 CA ILE A 30 -1.473 -8.994 -3.636 1.00 0.12 C ATOM 464 C ILE A 30 -1.420 -9.704 -4.988 1.00 0.14 C ATOM 465 O ILE A 30 -0.681 -9.337 -5.877 1.00 0.58 O ATOM 466 CB ILE A 30 -0.893 -7.590 -3.762 1.00 0.19 C ATOM 467 CG1 ILE A 30 -0.387 -7.119 -2.400 1.00 0.31 C ATOM 468 CG2 ILE A 30 -2.022 -6.655 -4.214 1.00 0.16 C ATOM 469 CD1 ILE A 30 -0.034 -5.631 -2.474 1.00 0.36 C ATOM 0 H ILE A 30 0.282 -9.963 -2.902 1.00 0.14 H new ATOM 0 HA ILE A 30 -2.516 -8.953 -3.323 1.00 0.12 H new ATOM 0 HB ILE A 30 -0.069 -7.587 -4.475 1.00 0.19 H new ATOM 0 HG12 ILE A 30 -1.150 -7.285 -1.639 1.00 0.31 H new ATOM 0 HG13 ILE A 30 0.489 -7.697 -2.105 1.00 0.31 H new ATOM 0 HG21 ILE A 30 -1.636 -5.640 -4.313 1.00 0.16 H new ATOM 0 HG22 ILE A 30 -2.410 -6.991 -5.175 1.00 0.16 H new ATOM 0 HG23 ILE A 30 -2.823 -6.668 -3.475 1.00 0.16 H new ATOM 0 HD11 ILE A 30 0.327 -5.294 -1.502 1.00 0.36 H new ATOM 0 HD12 ILE A 30 0.743 -5.478 -3.223 1.00 0.36 H new ATOM 0 HD13 ILE A 30 -0.921 -5.060 -2.749 1.00 0.36 H new ATOM 481 N ILE A 31 -2.234 -10.705 -5.100 1.00 0.29 N ATOM 482 CA ILE A 31 -2.300 -11.497 -6.352 1.00 0.26 C ATOM 483 C ILE A 31 -2.825 -10.650 -7.521 1.00 0.26 C ATOM 484 O ILE A 31 -3.571 -9.714 -7.310 1.00 0.25 O ATOM 485 CB ILE A 31 -3.238 -12.666 -6.067 1.00 0.26 C ATOM 486 CG1 ILE A 31 -2.737 -13.391 -4.802 1.00 0.23 C ATOM 487 CG2 ILE A 31 -3.191 -13.628 -7.261 1.00 0.32 C ATOM 488 CD1 ILE A 31 -3.730 -14.459 -4.356 1.00 0.18 C ATOM 0 H ILE A 31 -2.869 -11.015 -4.364 1.00 0.29 H new ATOM 0 HA ILE A 31 -1.309 -11.844 -6.645 1.00 0.26 H new ATOM 0 HB ILE A 31 -4.259 -12.317 -5.915 1.00 0.26 H new ATOM 0 HG12 ILE A 31 -1.769 -13.850 -5.001 1.00 0.23 H new ATOM 0 HG13 ILE A 31 -2.589 -12.669 -3.999 1.00 0.23 H new ATOM 0 HG21 ILE A 31 -3.856 -14.471 -7.075 1.00 0.32 H new ATOM 0 HG22 ILE A 31 -3.511 -13.105 -8.162 1.00 0.32 H new ATOM 0 HG23 ILE A 31 -2.172 -13.992 -7.395 1.00 0.32 H new ATOM 0 HD11 ILE A 31 -3.353 -14.956 -3.462 1.00 0.18 H new ATOM 0 HD12 ILE A 31 -4.690 -13.993 -4.135 1.00 0.18 H new ATOM 0 HD13 ILE A 31 -3.857 -15.193 -5.152 1.00 0.18 H new ATOM 500 N GLN A 32 -2.428 -10.996 -8.731 1.00 0.26 N ATOM 501 CA GLN A 32 -2.894 -10.215 -9.920 1.00 0.26 C ATOM 502 C GLN A 32 -3.773 -11.062 -10.843 1.00 0.22 C ATOM 503 O GLN A 32 -3.753 -12.274 -10.781 1.00 0.18 O ATOM 504 CB GLN A 32 -1.656 -9.764 -10.708 1.00 0.29 C ATOM 505 CG GLN A 32 -0.834 -8.778 -9.866 1.00 0.15 C ATOM 506 CD GLN A 32 0.006 -7.902 -10.801 1.00 0.09 C ATOM 507 OE1 GLN A 32 1.198 -7.749 -10.625 1.00 1.64 O ATOM 508 NE2 GLN A 32 -0.577 -7.313 -11.809 1.00 1.87 N ATOM 0 H GLN A 32 -1.808 -11.778 -8.940 1.00 0.26 H new ATOM 0 HA GLN A 32 -3.483 -9.367 -9.571 1.00 0.26 H new ATOM 0 HB2 GLN A 32 -1.046 -10.628 -10.971 1.00 0.29 H new ATOM 0 HB3 GLN A 32 -1.960 -9.293 -11.643 1.00 0.29 H new ATOM 0 HG2 GLN A 32 -1.495 -8.157 -9.262 1.00 0.15 H new ATOM 0 HG3 GLN A 32 -0.187 -9.320 -9.176 1.00 0.15 H new ATOM 0 HE21 GLN A 32 -1.578 -7.437 -11.963 1.00 1.87 H new ATOM 0 HE22 GLN A 32 -0.032 -6.729 -12.443 1.00 1.87 H new ATOM 517 N ASN A 33 -4.530 -10.405 -11.689 1.00 0.24 N ATOM 518 CA ASN A 33 -5.414 -11.157 -12.619 1.00 0.21 C ATOM 519 C ASN A 33 -6.253 -12.109 -11.813 1.00 0.18 C ATOM 520 O ASN A 33 -5.841 -13.207 -11.533 1.00 0.19 O ATOM 521 CB ASN A 33 -4.562 -11.958 -13.609 1.00 0.19 C ATOM 522 CG ASN A 33 -5.490 -12.645 -14.616 1.00 1.52 C ATOM 523 OD1 ASN A 33 -6.696 -12.660 -14.454 1.00 3.38 O ATOM 524 ND2 ASN A 33 -4.978 -13.220 -15.666 1.00 1.24 N ATOM 0 H ASN A 33 -4.571 -9.389 -11.772 1.00 0.24 H new ATOM 0 HA ASN A 33 -6.047 -10.462 -13.170 1.00 0.21 H new ATOM 0 HB2 ASN A 33 -3.865 -11.299 -14.127 1.00 0.19 H new ATOM 0 HB3 ASN A 33 -3.965 -12.700 -13.079 1.00 0.19 H new ATOM 0 HD21 ASN A 33 -5.587 -13.678 -16.344 1.00 1.24 H new ATOM 0 HD22 ASN A 33 -3.968 -13.212 -15.810 1.00 1.24 H new ATOM 531 N VAL A 34 -7.425 -11.670 -11.478 1.00 0.21 N ATOM 532 CA VAL A 34 -8.315 -12.537 -10.675 1.00 0.20 C ATOM 533 C VAL A 34 -9.636 -12.904 -11.351 1.00 0.35 C ATOM 534 O VAL A 34 -10.073 -12.271 -12.292 1.00 0.48 O ATOM 535 CB VAL A 34 -8.535 -11.764 -9.375 1.00 0.07 C ATOM 536 CG1 VAL A 34 -10.023 -11.649 -9.027 1.00 0.21 C ATOM 537 CG2 VAL A 34 -7.775 -12.478 -8.274 1.00 0.12 C ATOM 0 H VAL A 34 -7.804 -10.755 -11.723 1.00 0.21 H new ATOM 0 HA VAL A 34 -7.850 -13.511 -10.521 1.00 0.20 H new ATOM 0 HB VAL A 34 -8.167 -10.745 -9.491 1.00 0.07 H new ATOM 0 HG11 VAL A 34 -10.137 -11.093 -8.096 1.00 0.21 H new ATOM 0 HG12 VAL A 34 -10.545 -11.126 -9.829 1.00 0.21 H new ATOM 0 HG13 VAL A 34 -10.447 -12.646 -8.908 1.00 0.21 H new ATOM 0 HG21 VAL A 34 -7.914 -11.947 -7.332 1.00 0.12 H new ATOM 0 HG22 VAL A 34 -8.150 -13.497 -8.175 1.00 0.12 H new ATOM 0 HG23 VAL A 34 -6.714 -12.504 -8.522 1.00 0.12 H new ATOM 547 N GLU A 35 -10.231 -13.952 -10.825 1.00 0.36 N ATOM 548 CA GLU A 35 -11.526 -14.455 -11.354 1.00 0.52 C ATOM 549 C GLU A 35 -12.120 -15.477 -10.373 1.00 0.33 C ATOM 550 O GLU A 35 -11.682 -16.608 -10.320 1.00 0.53 O ATOM 551 CB GLU A 35 -11.248 -15.159 -12.688 1.00 0.95 C ATOM 552 CG GLU A 35 -11.868 -14.353 -13.832 1.00 1.37 C ATOM 553 CD GLU A 35 -11.657 -15.102 -15.149 1.00 1.78 C ATOM 554 OE1 GLU A 35 -10.644 -15.778 -15.233 1.00 3.42 O ATOM 555 OE2 GLU A 35 -12.519 -14.953 -15.999 1.00 1.23 O ATOM 0 H GLU A 35 -9.860 -14.484 -10.037 1.00 0.36 H new ATOM 0 HA GLU A 35 -12.225 -13.629 -11.485 1.00 0.52 H new ATOM 0 HB2 GLU A 35 -10.173 -15.259 -12.841 1.00 0.95 H new ATOM 0 HB3 GLU A 35 -11.663 -16.167 -12.673 1.00 0.95 H new ATOM 0 HG2 GLU A 35 -12.933 -14.203 -13.652 1.00 1.37 H new ATOM 0 HG3 GLU A 35 -11.412 -13.365 -13.885 1.00 1.37 H new ATOM 562 N LYS A 36 -13.101 -15.062 -9.608 1.00 0.27 N ATOM 563 CA LYS A 36 -13.720 -16.009 -8.629 1.00 0.44 C ATOM 564 C LYS A 36 -14.436 -17.164 -9.319 1.00 0.65 C ATOM 565 O LYS A 36 -15.599 -17.083 -9.659 1.00 1.87 O ATOM 566 CB LYS A 36 -14.722 -15.254 -7.747 1.00 0.92 C ATOM 567 CG LYS A 36 -14.952 -13.846 -8.298 1.00 0.70 C ATOM 568 CD LYS A 36 -16.045 -13.175 -7.463 1.00 0.96 C ATOM 569 CE LYS A 36 -16.184 -11.712 -7.881 1.00 1.21 C ATOM 570 NZ LYS A 36 -17.606 -11.278 -7.766 1.00 1.04 N ATOM 0 H LYS A 36 -13.495 -14.121 -9.618 1.00 0.27 H new ATOM 0 HA LYS A 36 -12.914 -16.426 -8.025 1.00 0.44 H new ATOM 0 HB2 LYS A 36 -15.666 -15.797 -7.710 1.00 0.92 H new ATOM 0 HB3 LYS A 36 -14.347 -15.196 -6.725 1.00 0.92 H new ATOM 0 HG2 LYS A 36 -14.030 -13.266 -8.253 1.00 0.70 H new ATOM 0 HG3 LYS A 36 -15.249 -13.892 -9.346 1.00 0.70 H new ATOM 0 HD2 LYS A 36 -16.993 -13.695 -7.601 1.00 0.96 H new ATOM 0 HD3 LYS A 36 -15.798 -13.239 -6.403 1.00 0.96 H new ATOM 0 HE2 LYS A 36 -15.552 -11.085 -7.252 1.00 1.21 H new ATOM 0 HE3 LYS A 36 -15.839 -11.585 -8.907 1.00 1.21 H new ATOM 0 HZ1 LYS A 36 -17.689 -10.282 -8.053 1.00 1.04 H new ATOM 0 HZ2 LYS A 36 -18.200 -11.867 -8.384 1.00 1.04 H new ATOM 0 HZ3 LYS A 36 -17.922 -11.382 -6.781 1.00 1.04 H new ATOM 623 N GLY A 40 -16.394 -19.774 -5.560 1.00 0.59 N ATOM 624 CA GLY A 40 -15.789 -18.911 -4.501 1.00 0.16 C ATOM 625 C GLY A 40 -14.290 -19.194 -4.401 1.00 0.14 C ATOM 626 O GLY A 40 -13.740 -19.275 -3.321 1.00 0.18 O ATOM 0 HA2 GLY A 40 -15.956 -17.860 -4.736 1.00 0.16 H new ATOM 0 HA3 GLY A 40 -16.270 -19.104 -3.542 1.00 0.16 H new ATOM 630 N TRP A 41 -13.671 -19.337 -5.542 1.00 0.22 N ATOM 631 CA TRP A 41 -12.213 -19.618 -5.577 1.00 0.30 C ATOM 632 C TRP A 41 -11.623 -18.659 -6.576 1.00 0.35 C ATOM 633 O TRP A 41 -12.149 -18.491 -7.645 1.00 0.40 O ATOM 634 CB TRP A 41 -12.025 -21.101 -5.897 1.00 0.33 C ATOM 635 CG TRP A 41 -12.617 -21.797 -4.667 1.00 0.33 C ATOM 636 CD1 TRP A 41 -13.942 -21.955 -4.482 1.00 0.33 C ATOM 637 CD2 TRP A 41 -11.999 -21.897 -3.477 1.00 0.34 C ATOM 638 NE1 TRP A 41 -14.073 -22.107 -3.163 1.00 0.35 N ATOM 639 CE2 TRP A 41 -12.919 -22.070 -2.458 1.00 0.36 C ATOM 640 CE3 TRP A 41 -10.655 -21.828 -3.176 1.00 0.34 C ATOM 641 CZ2 TRP A 41 -12.499 -22.137 -1.137 1.00 0.37 C ATOM 642 CZ3 TRP A 41 -10.231 -21.911 -1.865 1.00 0.34 C ATOM 643 CH2 TRP A 41 -11.157 -22.058 -0.838 1.00 0.36 C ATOM 0 H TRP A 41 -14.119 -19.270 -6.456 1.00 0.22 H new ATOM 0 HA TRP A 41 -11.694 -19.458 -4.632 1.00 0.30 H new ATOM 0 HB2 TRP A 41 -12.546 -21.386 -6.811 1.00 0.33 H new ATOM 0 HB3 TRP A 41 -10.974 -21.354 -6.037 1.00 0.33 H new ATOM 0 HD1 TRP A 41 -14.721 -21.958 -5.231 1.00 0.33 H new ATOM 0 HE1 TRP A 41 -14.980 -22.242 -2.717 1.00 0.35 H new ATOM 0 HE3 TRP A 41 -9.932 -21.709 -3.969 1.00 0.34 H new ATOM 0 HZ2 TRP A 41 -13.224 -22.251 -0.344 1.00 0.37 H new ATOM 0 HZ3 TRP A 41 -9.177 -21.862 -1.636 1.00 0.34 H new ATOM 0 HH2 TRP A 41 -10.826 -22.110 0.189 1.00 0.36 H new ATOM 654 N TRP A 42 -10.541 -18.058 -6.205 1.00 0.33 N ATOM 655 CA TRP A 42 -9.900 -17.077 -7.105 1.00 0.33 C ATOM 656 C TRP A 42 -8.591 -17.494 -7.775 1.00 0.34 C ATOM 657 O TRP A 42 -7.764 -18.109 -7.156 1.00 0.71 O ATOM 658 CB TRP A 42 -9.514 -15.944 -6.169 1.00 0.34 C ATOM 659 CG TRP A 42 -10.752 -15.304 -5.565 1.00 0.34 C ATOM 660 CD1 TRP A 42 -11.808 -15.997 -5.105 1.00 0.35 C ATOM 661 CD2 TRP A 42 -11.005 -14.006 -5.551 1.00 0.37 C ATOM 662 NE1 TRP A 42 -12.699 -15.046 -4.880 1.00 0.38 N ATOM 663 CE2 TRP A 42 -12.287 -13.791 -5.116 1.00 0.40 C ATOM 664 CE3 TRP A 42 -10.183 -12.937 -5.827 1.00 0.38 C ATOM 665 CZ2 TRP A 42 -12.770 -12.522 -4.970 1.00 0.44 C ATOM 666 CZ3 TRP A 42 -10.666 -11.656 -5.677 1.00 0.43 C ATOM 667 CH2 TRP A 42 -11.963 -11.450 -5.252 1.00 0.45 C ATOM 0 H TRP A 42 -10.069 -18.204 -5.313 1.00 0.33 H new ATOM 0 HA TRP A 42 -10.599 -16.880 -7.918 1.00 0.33 H new ATOM 0 HB2 TRP A 42 -8.871 -16.324 -5.375 1.00 0.34 H new ATOM 0 HB3 TRP A 42 -8.940 -15.195 -6.714 1.00 0.34 H new ATOM 0 HD1 TRP A 42 -11.904 -17.062 -4.957 1.00 0.35 H new ATOM 0 HE1 TRP A 42 -13.641 -15.254 -4.548 1.00 0.38 H new ATOM 0 HE3 TRP A 42 -9.168 -13.101 -6.158 1.00 0.38 H new ATOM 0 HZ2 TRP A 42 -13.784 -12.363 -4.634 1.00 0.44 H new ATOM 0 HZ3 TRP A 42 -10.029 -10.811 -5.892 1.00 0.43 H new ATOM 0 HH2 TRP A 42 -12.342 -10.445 -5.142 1.00 0.45 H new ATOM 678 N ARG A 43 -8.401 -17.070 -9.008 1.00 0.20 N ATOM 679 CA ARG A 43 -7.141 -17.424 -9.734 1.00 0.20 C ATOM 680 C ARG A 43 -6.279 -16.175 -9.866 1.00 0.19 C ATOM 681 O ARG A 43 -6.684 -15.119 -9.448 1.00 0.19 O ATOM 682 CB ARG A 43 -7.454 -17.901 -11.147 1.00 0.25 C ATOM 683 CG ARG A 43 -6.789 -19.259 -11.361 1.00 0.31 C ATOM 684 CD ARG A 43 -6.967 -19.709 -12.811 1.00 0.45 C ATOM 685 NE ARG A 43 -5.902 -20.706 -13.120 1.00 1.41 N ATOM 686 CZ ARG A 43 -5.667 -21.045 -14.359 1.00 1.95 C ATOM 687 NH1 ARG A 43 -6.534 -20.727 -15.282 1.00 2.03 N ATOM 688 NH2 ARG A 43 -4.567 -21.688 -14.637 1.00 2.41 N ATOM 0 H ARG A 43 -9.061 -16.499 -9.536 1.00 0.20 H new ATOM 0 HA ARG A 43 -6.632 -18.210 -9.175 1.00 0.20 H new ATOM 0 HB2 ARG A 43 -8.532 -17.981 -11.289 1.00 0.25 H new ATOM 0 HB3 ARG A 43 -7.088 -17.181 -11.879 1.00 0.25 H new ATOM 0 HG2 ARG A 43 -5.728 -19.195 -11.120 1.00 0.31 H new ATOM 0 HG3 ARG A 43 -7.225 -19.996 -10.687 1.00 0.31 H new ATOM 0 HD2 ARG A 43 -7.954 -20.149 -12.955 1.00 0.45 H new ATOM 0 HD3 ARG A 43 -6.897 -18.856 -13.486 1.00 0.45 H new ATOM 0 HE ARG A 43 -5.358 -21.123 -12.365 1.00 1.41 H new ATOM 0 HH11 ARG A 43 -7.383 -20.220 -15.031 1.00 2.03 H new ATOM 0 HH12 ARG A 43 -6.363 -20.986 -16.254 1.00 2.03 H new ATOM 0 HH21 ARG A 43 -3.908 -21.917 -13.893 1.00 2.41 H new ATOM 0 HH22 ARG A 43 -4.365 -21.962 -15.599 1.00 2.41 H new ATOM 702 N GLY A 44 -5.096 -16.309 -10.427 1.00 0.19 N ATOM 703 CA GLY A 44 -4.208 -15.118 -10.580 1.00 0.19 C ATOM 704 C GLY A 44 -2.765 -15.446 -10.171 1.00 0.18 C ATOM 705 O GLY A 44 -2.510 -16.277 -9.323 1.00 0.26 O ATOM 0 H GLY A 44 -4.714 -17.186 -10.781 1.00 0.19 H new ATOM 0 HA2 GLY A 44 -4.227 -14.777 -11.615 1.00 0.19 H new ATOM 0 HA3 GLY A 44 -4.585 -14.299 -9.968 1.00 0.19 H new ATOM 709 N ASP A 45 -1.872 -14.761 -10.808 1.00 0.14 N ATOM 710 CA ASP A 45 -0.407 -14.939 -10.550 1.00 0.23 C ATOM 711 C ASP A 45 0.045 -14.467 -9.165 1.00 0.23 C ATOM 712 O ASP A 45 -0.308 -13.400 -8.713 1.00 0.52 O ATOM 713 CB ASP A 45 0.334 -14.081 -11.593 1.00 0.37 C ATOM 714 CG ASP A 45 1.541 -13.397 -10.943 1.00 0.59 C ATOM 715 OD1 ASP A 45 1.314 -12.359 -10.341 1.00 1.02 O ATOM 716 OD2 ASP A 45 2.619 -13.945 -11.092 1.00 1.23 O ATOM 0 H ASP A 45 -2.092 -14.063 -11.519 1.00 0.14 H new ATOM 0 HA ASP A 45 -0.188 -16.005 -10.610 1.00 0.23 H new ATOM 0 HB2 ASP A 45 0.663 -14.706 -12.423 1.00 0.37 H new ATOM 0 HB3 ASP A 45 -0.341 -13.331 -12.006 1.00 0.37 H new ATOM 721 N TYR A 46 0.855 -15.280 -8.538 1.00 0.30 N ATOM 722 CA TYR A 46 1.367 -14.933 -7.187 1.00 0.31 C ATOM 723 C TYR A 46 2.769 -15.508 -7.002 1.00 0.31 C ATOM 724 O TYR A 46 2.924 -16.665 -6.665 1.00 1.23 O ATOM 725 CB TYR A 46 0.459 -15.546 -6.119 1.00 0.33 C ATOM 726 CG TYR A 46 0.946 -15.014 -4.772 1.00 0.42 C ATOM 727 CD1 TYR A 46 0.961 -13.652 -4.551 1.00 0.43 C ATOM 728 CD2 TYR A 46 1.551 -15.845 -3.841 1.00 0.56 C ATOM 729 CE1 TYR A 46 1.580 -13.129 -3.457 1.00 0.54 C ATOM 730 CE2 TYR A 46 2.177 -15.308 -2.741 1.00 0.69 C ATOM 731 CZ TYR A 46 2.195 -13.946 -2.535 1.00 0.67 C ATOM 732 OH TYR A 46 2.814 -13.407 -1.425 1.00 0.81 O ATOM 0 H TYR A 46 1.183 -16.172 -8.908 1.00 0.30 H new ATOM 0 HA TYR A 46 1.388 -13.847 -7.090 1.00 0.31 H new ATOM 0 HB2 TYR A 46 -0.582 -15.270 -6.291 1.00 0.33 H new ATOM 0 HB3 TYR A 46 0.509 -16.634 -6.146 1.00 0.33 H new ATOM 0 HD1 TYR A 46 0.475 -12.992 -5.255 1.00 0.43 H new ATOM 0 HD2 TYR A 46 1.530 -16.916 -3.980 1.00 0.56 H new ATOM 0 HE1 TYR A 46 1.589 -12.059 -3.310 1.00 0.54 H new ATOM 0 HE2 TYR A 46 2.660 -15.962 -2.030 1.00 0.69 H new ATOM 0 HH TYR A 46 3.195 -14.127 -0.881 1.00 0.81 H new ATOM 778 N LYS A 50 1.757 -18.795 -12.342 1.00 0.30 N ATOM 779 CA LYS A 50 0.803 -17.894 -13.027 1.00 0.23 C ATOM 780 C LYS A 50 -0.629 -18.441 -13.042 1.00 0.17 C ATOM 781 O LYS A 50 -0.967 -19.272 -13.855 1.00 0.22 O ATOM 782 CB LYS A 50 1.272 -17.679 -14.471 1.00 0.32 C ATOM 783 CG LYS A 50 0.850 -16.274 -14.914 1.00 0.35 C ATOM 784 CD LYS A 50 0.964 -16.158 -16.439 1.00 0.73 C ATOM 785 CE LYS A 50 -0.354 -16.604 -17.082 1.00 1.53 C ATOM 786 NZ LYS A 50 -1.489 -15.772 -16.592 1.00 3.56 N ATOM 0 HA LYS A 50 0.785 -16.956 -12.472 1.00 0.23 H new ATOM 0 HB2 LYS A 50 2.354 -17.788 -14.538 1.00 0.32 H new ATOM 0 HB3 LYS A 50 0.834 -18.431 -15.128 1.00 0.32 H new ATOM 0 HG2 LYS A 50 -0.175 -16.075 -14.600 1.00 0.35 H new ATOM 0 HG3 LYS A 50 1.481 -15.526 -14.434 1.00 0.35 H new ATOM 0 HD2 LYS A 50 1.190 -15.130 -16.721 1.00 0.73 H new ATOM 0 HD3 LYS A 50 1.786 -16.775 -16.802 1.00 0.73 H new ATOM 0 HE2 LYS A 50 -0.280 -16.524 -18.167 1.00 1.53 H new ATOM 0 HE3 LYS A 50 -0.540 -17.653 -16.851 1.00 1.53 H new ATOM 0 HZ1 LYS A 50 -2.363 -16.057 -17.078 1.00 3.56 H new ATOM 0 HZ2 LYS A 50 -1.602 -15.908 -15.567 1.00 3.56 H new ATOM 0 HZ3 LYS A 50 -1.295 -14.769 -16.789 1.00 3.56 H new ATOM 800 N GLN A 51 -1.412 -17.968 -12.100 1.00 0.14 N ATOM 801 CA GLN A 51 -2.852 -18.386 -11.970 1.00 0.19 C ATOM 802 C GLN A 51 -3.090 -19.695 -11.228 1.00 0.10 C ATOM 803 O GLN A 51 -3.301 -20.726 -11.837 1.00 0.22 O ATOM 804 CB GLN A 51 -3.500 -18.504 -13.363 1.00 0.36 C ATOM 805 CG GLN A 51 -3.063 -17.331 -14.243 1.00 0.41 C ATOM 806 CD GLN A 51 -4.245 -16.879 -15.101 1.00 0.69 C ATOM 807 OE1 GLN A 51 -4.690 -15.661 -14.972 1.00 1.15 O flip ATOM 808 NE2 GLN A 51 -4.778 -17.631 -15.893 1.00 0.85 N flip ATOM 0 H GLN A 51 -1.108 -17.293 -11.398 1.00 0.14 H new ATOM 0 HA GLN A 51 -3.306 -17.599 -11.368 1.00 0.19 H new ATOM 0 HB2 GLN A 51 -3.212 -19.446 -13.829 1.00 0.36 H new ATOM 0 HB3 GLN A 51 -4.586 -18.514 -13.269 1.00 0.36 H new ATOM 0 HG2 GLN A 51 -2.712 -16.506 -13.623 1.00 0.41 H new ATOM 0 HG3 GLN A 51 -2.229 -17.629 -14.879 1.00 0.41 H new ATOM 0 HE21 GLN A 51 -4.435 -18.586 -16.000 1.00 0.85 H new ATOM 0 HE22 GLN A 51 -5.568 -17.307 -16.451 1.00 0.85 H new ATOM 817 N LEU A 52 -3.042 -19.622 -9.922 1.00 0.05 N ATOM 818 CA LEU A 52 -3.272 -20.838 -9.090 1.00 0.14 C ATOM 819 C LEU A 52 -4.644 -20.633 -8.424 1.00 0.19 C ATOM 820 O LEU A 52 -5.568 -20.276 -9.115 1.00 0.43 O ATOM 821 CB LEU A 52 -2.148 -20.957 -8.035 1.00 0.23 C ATOM 822 CG LEU A 52 -0.750 -21.098 -8.702 1.00 0.13 C ATOM 823 CD1 LEU A 52 0.187 -21.851 -7.765 1.00 0.08 C ATOM 824 CD2 LEU A 52 -0.793 -21.891 -10.009 1.00 0.10 C ATOM 0 H LEU A 52 -2.853 -18.769 -9.396 1.00 0.05 H new ATOM 0 HA LEU A 52 -3.261 -21.756 -9.677 1.00 0.14 H new ATOM 0 HB2 LEU A 52 -2.158 -20.077 -7.391 1.00 0.23 H new ATOM 0 HB3 LEU A 52 -2.336 -21.821 -7.397 1.00 0.23 H new ATOM 0 HG LEU A 52 -0.407 -20.085 -8.910 1.00 0.13 H new ATOM 0 HD11 LEU A 52 1.167 -21.950 -8.232 1.00 0.08 H new ATOM 0 HD12 LEU A 52 0.285 -21.301 -6.829 1.00 0.08 H new ATOM 0 HD13 LEU A 52 -0.220 -22.842 -7.562 1.00 0.08 H new ATOM 0 HD21 LEU A 52 0.211 -21.956 -10.428 1.00 0.10 H new ATOM 0 HD22 LEU A 52 -1.171 -22.895 -9.813 1.00 0.10 H new ATOM 0 HD23 LEU A 52 -1.450 -21.388 -10.718 1.00 0.10 H new ATOM 836 N TRP A 53 -4.801 -20.866 -7.139 1.00 0.12 N ATOM 837 CA TRP A 53 -6.171 -20.638 -6.555 1.00 0.09 C ATOM 838 C TRP A 53 -6.162 -20.046 -5.161 1.00 0.07 C ATOM 839 O TRP A 53 -5.277 -20.306 -4.373 1.00 0.07 O ATOM 840 CB TRP A 53 -6.927 -21.952 -6.455 1.00 0.19 C ATOM 841 CG TRP A 53 -7.393 -22.326 -7.846 1.00 0.29 C ATOM 842 CD1 TRP A 53 -6.851 -23.315 -8.538 1.00 0.46 C ATOM 843 CD2 TRP A 53 -8.291 -21.666 -8.584 1.00 0.29 C ATOM 844 NE1 TRP A 53 -7.450 -23.233 -9.728 1.00 0.44 N ATOM 845 CE2 TRP A 53 -8.355 -22.232 -9.847 1.00 0.30 C ATOM 846 CE3 TRP A 53 -9.051 -20.542 -8.299 1.00 0.37 C ATOM 847 CZ2 TRP A 53 -9.164 -21.679 -10.817 1.00 0.27 C ATOM 848 CZ3 TRP A 53 -9.857 -19.988 -9.278 1.00 0.45 C ATOM 849 CH2 TRP A 53 -9.912 -20.557 -10.536 1.00 0.36 C ATOM 0 H TRP A 53 -4.080 -21.189 -6.494 1.00 0.12 H new ATOM 0 HA TRP A 53 -6.645 -19.929 -7.234 1.00 0.09 H new ATOM 0 HB2 TRP A 53 -6.285 -22.732 -6.045 1.00 0.19 H new ATOM 0 HB3 TRP A 53 -7.778 -21.853 -5.781 1.00 0.19 H new ATOM 0 HD1 TRP A 53 -6.101 -24.022 -8.216 1.00 0.46 H new ATOM 0 HE1 TRP A 53 -7.242 -23.877 -10.491 1.00 0.44 H new ATOM 0 HE3 TRP A 53 -9.014 -20.099 -7.315 1.00 0.37 H new ATOM 0 HZ2 TRP A 53 -9.211 -22.126 -11.799 1.00 0.27 H new ATOM 0 HZ3 TRP A 53 -10.444 -19.109 -9.058 1.00 0.45 H new ATOM 0 HH2 TRP A 53 -10.541 -20.122 -11.299 1.00 0.36 H new ATOM 860 N PHE A 54 -7.139 -19.210 -4.902 1.00 0.09 N ATOM 861 CA PHE A 54 -7.225 -18.587 -3.560 1.00 0.13 C ATOM 862 C PHE A 54 -8.711 -18.451 -3.144 1.00 0.17 C ATOM 863 O PHE A 54 -9.510 -17.931 -3.879 1.00 0.17 O ATOM 864 CB PHE A 54 -6.593 -17.172 -3.524 1.00 0.14 C ATOM 865 CG PHE A 54 -5.996 -16.766 -4.848 1.00 0.12 C ATOM 866 CD1 PHE A 54 -4.955 -17.477 -5.371 1.00 0.08 C ATOM 867 CD2 PHE A 54 -6.509 -15.691 -5.545 1.00 0.16 C ATOM 868 CE1 PHE A 54 -4.438 -17.148 -6.583 1.00 0.13 C ATOM 869 CE2 PHE A 54 -6.002 -15.353 -6.754 1.00 0.16 C ATOM 870 CZ PHE A 54 -4.952 -16.093 -7.283 1.00 0.16 C ATOM 0 H PHE A 54 -7.870 -18.939 -5.560 1.00 0.09 H new ATOM 0 HA PHE A 54 -6.675 -19.234 -2.876 1.00 0.13 H new ATOM 0 HB2 PHE A 54 -7.354 -16.446 -3.236 1.00 0.14 H new ATOM 0 HB3 PHE A 54 -5.819 -17.144 -2.757 1.00 0.14 H new ATOM 0 HD1 PHE A 54 -4.540 -18.306 -4.818 1.00 0.08 H new ATOM 0 HD2 PHE A 54 -7.320 -15.116 -5.123 1.00 0.16 H new ATOM 0 HE1 PHE A 54 -3.620 -17.721 -6.994 1.00 0.13 H new ATOM 0 HE2 PHE A 54 -6.410 -14.516 -7.302 1.00 0.16 H new ATOM 0 HZ PHE A 54 -4.542 -15.834 -8.248 1.00 0.16 H new ATOM 880 N PRO A 55 -9.059 -18.912 -1.971 1.00 0.20 N ATOM 881 CA PRO A 55 -10.450 -18.832 -1.476 1.00 0.24 C ATOM 882 C PRO A 55 -11.095 -17.456 -1.587 1.00 0.19 C ATOM 883 O PRO A 55 -10.438 -16.441 -1.645 1.00 0.17 O ATOM 884 CB PRO A 55 -10.319 -19.138 0.006 1.00 0.33 C ATOM 885 CG PRO A 55 -8.927 -19.796 0.223 1.00 0.32 C ATOM 886 CD PRO A 55 -8.113 -19.509 -1.018 1.00 0.23 C ATOM 0 HA PRO A 55 -11.076 -19.503 -2.065 1.00 0.24 H new ATOM 0 HB2 PRO A 55 -10.409 -18.226 0.596 1.00 0.33 H new ATOM 0 HB3 PRO A 55 -11.115 -19.808 0.332 1.00 0.33 H new ATOM 0 HG2 PRO A 55 -8.440 -19.388 1.108 1.00 0.32 H new ATOM 0 HG3 PRO A 55 -9.027 -20.870 0.381 1.00 0.32 H new ATOM 0 HD2 PRO A 55 -7.291 -18.827 -0.800 1.00 0.23 H new ATOM 0 HD3 PRO A 55 -7.673 -20.422 -1.420 1.00 0.23 H new ATOM 894 N SER A 56 -12.398 -17.479 -1.609 1.00 0.24 N ATOM 895 CA SER A 56 -13.169 -16.221 -1.704 1.00 0.19 C ATOM 896 C SER A 56 -13.534 -15.914 -0.270 1.00 0.21 C ATOM 897 O SER A 56 -14.296 -15.023 0.044 1.00 0.18 O ATOM 898 CB SER A 56 -14.449 -16.454 -2.513 1.00 0.16 C ATOM 899 OG SER A 56 -15.116 -17.499 -1.814 1.00 0.16 O ATOM 0 H SER A 56 -12.962 -18.327 -1.564 1.00 0.24 H new ATOM 0 HA SER A 56 -12.612 -15.420 -2.190 1.00 0.19 H new ATOM 0 HB2 SER A 56 -15.060 -15.553 -2.560 1.00 0.16 H new ATOM 0 HB3 SER A 56 -14.225 -16.741 -3.540 1.00 0.16 H new ATOM 0 HG SER A 56 -14.778 -18.366 -2.122 1.00 0.16 H new ATOM 905 N ASN A 57 -12.933 -16.720 0.566 1.00 0.26 N ATOM 906 CA ASN A 57 -13.126 -16.625 2.013 1.00 0.31 C ATOM 907 C ASN A 57 -11.862 -16.047 2.589 1.00 0.39 C ATOM 908 O ASN A 57 -11.846 -15.506 3.678 1.00 0.66 O ATOM 909 CB ASN A 57 -13.271 -18.052 2.569 1.00 0.40 C ATOM 910 CG ASN A 57 -14.744 -18.330 2.883 1.00 0.21 C ATOM 911 OD1 ASN A 57 -15.551 -18.530 1.997 1.00 0.34 O ATOM 912 ND2 ASN A 57 -15.135 -18.358 4.127 1.00 0.45 N ATOM 0 H ASN A 57 -12.296 -17.462 0.277 1.00 0.26 H new ATOM 0 HA ASN A 57 -13.999 -16.020 2.257 1.00 0.31 H new ATOM 0 HB2 ASN A 57 -12.900 -18.776 1.844 1.00 0.40 H new ATOM 0 HB3 ASN A 57 -12.668 -18.166 3.470 1.00 0.40 H new ATOM 0 HD21 ASN A 57 -16.112 -18.547 4.350 1.00 0.45 H new ATOM 0 HD22 ASN A 57 -14.464 -18.191 4.877 1.00 0.45 H new ATOM 919 N TYR A 58 -10.814 -16.183 1.817 1.00 0.30 N ATOM 920 CA TYR A 58 -9.511 -15.659 2.268 1.00 0.33 C ATOM 921 C TYR A 58 -9.172 -14.332 1.595 1.00 0.43 C ATOM 922 O TYR A 58 -8.499 -13.503 2.179 1.00 0.96 O ATOM 923 CB TYR A 58 -8.397 -16.664 1.930 1.00 0.36 C ATOM 924 CG TYR A 58 -8.342 -17.796 2.982 1.00 0.23 C ATOM 925 CD1 TYR A 58 -9.422 -18.665 3.197 1.00 0.24 C ATOM 926 CD2 TYR A 58 -7.199 -17.957 3.749 1.00 0.20 C ATOM 927 CE1 TYR A 58 -9.341 -19.643 4.166 1.00 0.16 C ATOM 928 CE2 TYR A 58 -7.137 -18.943 4.713 1.00 0.30 C ATOM 929 CZ TYR A 58 -8.203 -19.788 4.927 1.00 0.28 C ATOM 930 OH TYR A 58 -8.133 -20.764 5.894 1.00 0.43 O ATOM 0 H TYR A 58 -10.814 -16.633 0.901 1.00 0.30 H new ATOM 0 HA TYR A 58 -9.581 -15.504 3.345 1.00 0.33 H new ATOM 0 HB2 TYR A 58 -8.571 -17.088 0.941 1.00 0.36 H new ATOM 0 HB3 TYR A 58 -7.437 -16.150 1.891 1.00 0.36 H new ATOM 0 HD1 TYR A 58 -10.319 -18.568 2.603 1.00 0.24 H new ATOM 0 HD2 TYR A 58 -6.351 -17.307 3.591 1.00 0.20 H new ATOM 0 HE1 TYR A 58 -10.180 -20.303 4.330 1.00 0.16 H new ATOM 0 HE2 TYR A 58 -6.242 -19.053 5.307 1.00 0.30 H new ATOM 0 HH TYR A 58 -7.259 -20.726 6.335 1.00 0.43 H new ATOM 940 N VAL A 59 -9.639 -14.154 0.382 1.00 0.17 N ATOM 941 CA VAL A 59 -9.349 -12.887 -0.346 1.00 0.09 C ATOM 942 C VAL A 59 -10.599 -12.055 -0.641 1.00 0.31 C ATOM 943 O VAL A 59 -11.715 -12.505 -0.471 1.00 0.69 O ATOM 944 CB VAL A 59 -8.685 -13.277 -1.665 1.00 0.34 C ATOM 945 CG1 VAL A 59 -7.793 -14.486 -1.410 1.00 0.39 C ATOM 946 CG2 VAL A 59 -9.745 -13.618 -2.737 1.00 0.52 C ATOM 0 H VAL A 59 -10.205 -14.830 -0.130 1.00 0.17 H new ATOM 0 HA VAL A 59 -8.711 -12.265 0.282 1.00 0.09 H new ATOM 0 HB VAL A 59 -8.094 -12.440 -2.037 1.00 0.34 H new ATOM 0 HG11 VAL A 59 -7.308 -14.783 -2.340 1.00 0.39 H new ATOM 0 HG12 VAL A 59 -7.034 -14.229 -0.671 1.00 0.39 H new ATOM 0 HG13 VAL A 59 -8.398 -15.312 -1.037 1.00 0.39 H new ATOM 0 HG21 VAL A 59 -9.247 -13.892 -3.667 1.00 0.52 H new ATOM 0 HG22 VAL A 59 -10.356 -14.453 -2.392 1.00 0.52 H new ATOM 0 HG23 VAL A 59 -10.381 -12.750 -2.909 1.00 0.52 H new ATOM 956 N GLU A 60 -10.361 -10.846 -1.086 1.00 0.28 N ATOM 957 CA GLU A 60 -11.479 -9.920 -1.418 1.00 0.50 C ATOM 958 C GLU A 60 -10.954 -8.799 -2.310 1.00 0.52 C ATOM 959 O GLU A 60 -10.182 -7.974 -1.870 1.00 0.80 O ATOM 960 CB GLU A 60 -12.003 -9.301 -0.120 1.00 0.69 C ATOM 961 CG GLU A 60 -13.409 -9.833 0.161 1.00 0.88 C ATOM 962 CD GLU A 60 -14.371 -9.286 -0.894 1.00 2.98 C ATOM 963 OE1 GLU A 60 -14.167 -8.145 -1.278 1.00 3.74 O ATOM 964 OE2 GLU A 60 -15.259 -10.038 -1.260 1.00 4.00 O ATOM 0 H GLU A 60 -9.428 -10.460 -1.234 1.00 0.28 H new ATOM 0 HA GLU A 60 -12.272 -10.465 -1.930 1.00 0.50 H new ATOM 0 HB2 GLU A 60 -11.337 -9.545 0.708 1.00 0.69 H new ATOM 0 HB3 GLU A 60 -12.023 -8.214 -0.204 1.00 0.69 H new ATOM 0 HG2 GLU A 60 -13.410 -10.923 0.141 1.00 0.88 H new ATOM 0 HG3 GLU A 60 -13.733 -9.532 1.157 1.00 0.88 H new