USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=6 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 -38:sc= -2.66! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 24 THR OG1 : rot -67:sc= 0.363 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 86:sc= 0.405 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.603 X(o=-0.6,f=-0.12) USER MOD Single : A 56 SER OG : rot 143:sc= -0.654 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 -7.308 -6.951 -8.737 1.00 0.68 N ATOM 103 CA ALA A 8 -6.223 -7.379 -7.822 1.00 0.36 C ATOM 104 C ALA A 8 -6.812 -7.698 -6.450 1.00 0.32 C ATOM 105 O ALA A 8 -8.000 -7.545 -6.241 1.00 0.69 O ATOM 106 CB ALA A 8 -5.212 -6.235 -7.689 1.00 0.68 C ATOM 0 HA ALA A 8 -5.731 -8.267 -8.218 1.00 0.36 H new ATOM 0 HB1 ALA A 8 -4.408 -6.536 -7.018 1.00 0.68 H new ATOM 0 HB2 ALA A 8 -4.798 -6.000 -8.669 1.00 0.68 H new ATOM 0 HB3 ALA A 8 -5.711 -5.354 -7.285 1.00 0.68 H new ATOM 112 N VAL A 9 -5.985 -8.131 -5.539 1.00 0.07 N ATOM 113 CA VAL A 9 -6.505 -8.460 -4.191 1.00 0.32 C ATOM 114 C VAL A 9 -5.439 -8.283 -3.125 1.00 0.29 C ATOM 115 O VAL A 9 -4.306 -7.945 -3.395 1.00 0.26 O ATOM 116 CB VAL A 9 -6.868 -9.961 -4.154 1.00 0.61 C ATOM 117 CG1 VAL A 9 -8.276 -10.154 -3.623 1.00 1.90 C ATOM 118 CG2 VAL A 9 -6.778 -10.588 -5.540 1.00 2.04 C ATOM 0 H VAL A 9 -4.983 -8.269 -5.671 1.00 0.07 H new ATOM 0 HA VAL A 9 -7.354 -7.803 -4.001 1.00 0.32 H new ATOM 0 HB VAL A 9 -6.151 -10.450 -3.494 1.00 0.61 H new ATOM 0 HG11 VAL A 9 -8.515 -11.217 -3.604 1.00 1.90 H new ATOM 0 HG12 VAL A 9 -8.343 -9.749 -2.613 1.00 1.90 H new ATOM 0 HG13 VAL A 9 -8.983 -9.635 -4.270 1.00 1.90 H new ATOM 0 HG21 VAL A 9 -7.039 -11.644 -5.479 1.00 2.04 H new ATOM 0 HG22 VAL A 9 -7.469 -10.081 -6.214 1.00 2.04 H new ATOM 0 HG23 VAL A 9 -5.761 -10.487 -5.920 1.00 2.04 H new ATOM 128 N LYS A 10 -5.865 -8.521 -1.930 1.00 0.29 N ATOM 129 CA LYS A 10 -4.968 -8.412 -0.758 1.00 0.27 C ATOM 130 C LYS A 10 -5.413 -9.461 0.272 1.00 0.24 C ATOM 131 O LYS A 10 -6.180 -9.162 1.164 1.00 0.21 O ATOM 132 CB LYS A 10 -5.117 -7.004 -0.157 1.00 0.25 C ATOM 133 CG LYS A 10 -4.040 -6.784 0.925 1.00 0.34 C ATOM 134 CD LYS A 10 -2.958 -5.808 0.424 1.00 1.78 C ATOM 135 CE LYS A 10 -2.158 -5.274 1.619 1.00 1.21 C ATOM 136 NZ LYS A 10 -0.897 -4.628 1.152 1.00 2.91 N ATOM 0 H LYS A 10 -6.822 -8.794 -1.708 1.00 0.29 H new ATOM 0 HA LYS A 10 -3.928 -8.578 -1.040 1.00 0.27 H new ATOM 0 HB2 LYS A 10 -5.019 -6.252 -0.940 1.00 0.25 H new ATOM 0 HB3 LYS A 10 -6.110 -6.886 0.276 1.00 0.25 H new ATOM 0 HG2 LYS A 10 -4.502 -6.390 1.830 1.00 0.34 H new ATOM 0 HG3 LYS A 10 -3.583 -7.737 1.190 1.00 0.34 H new ATOM 0 HD2 LYS A 10 -2.293 -6.314 -0.276 1.00 1.78 H new ATOM 0 HD3 LYS A 10 -3.420 -4.982 -0.116 1.00 1.78 H new ATOM 0 HE2 LYS A 10 -2.759 -4.554 2.175 1.00 1.21 H new ATOM 0 HE3 LYS A 10 -1.925 -6.090 2.303 1.00 1.21 H new ATOM 0 HZ1 LYS A 10 -0.366 -4.271 1.972 1.00 2.91 H new ATOM 0 HZ2 LYS A 10 -0.318 -5.325 0.641 1.00 2.91 H new ATOM 0 HZ3 LYS A 10 -1.127 -3.837 0.517 1.00 2.91 H new ATOM 150 N ALA A 11 -4.931 -10.675 0.111 1.00 0.26 N ATOM 151 CA ALA A 11 -5.308 -11.773 1.059 1.00 0.25 C ATOM 152 C ALA A 11 -5.493 -11.272 2.484 1.00 0.27 C ATOM 153 O ALA A 11 -4.574 -10.767 3.096 1.00 0.27 O ATOM 154 CB ALA A 11 -4.199 -12.822 1.035 1.00 0.30 C ATOM 0 H ALA A 11 -4.293 -10.950 -0.636 1.00 0.26 H new ATOM 0 HA ALA A 11 -6.262 -12.191 0.738 1.00 0.25 H new ATOM 0 HB1 ALA A 11 -4.451 -13.633 1.718 1.00 0.30 H new ATOM 0 HB2 ALA A 11 -4.094 -13.218 0.025 1.00 0.30 H new ATOM 0 HB3 ALA A 11 -3.259 -12.365 1.345 1.00 0.30 H new ATOM 160 N LEU A 12 -6.690 -11.431 2.982 1.00 0.28 N ATOM 161 CA LEU A 12 -6.970 -10.974 4.367 1.00 0.29 C ATOM 162 C LEU A 12 -6.363 -11.942 5.363 1.00 0.23 C ATOM 163 O LEU A 12 -5.974 -11.555 6.443 1.00 0.21 O ATOM 164 CB LEU A 12 -8.489 -10.947 4.603 1.00 0.41 C ATOM 165 CG LEU A 12 -9.201 -10.214 3.459 1.00 0.46 C ATOM 166 CD1 LEU A 12 -10.702 -10.488 3.561 1.00 0.62 C ATOM 167 CD2 LEU A 12 -8.956 -8.708 3.576 1.00 0.58 C ATOM 0 H LEU A 12 -7.478 -11.854 2.492 1.00 0.28 H new ATOM 0 HA LEU A 12 -6.543 -9.980 4.498 1.00 0.29 H new ATOM 0 HB2 LEU A 12 -8.868 -11.966 4.681 1.00 0.41 H new ATOM 0 HB3 LEU A 12 -8.707 -10.453 5.550 1.00 0.41 H new ATOM 0 HG LEU A 12 -8.816 -10.566 2.502 1.00 0.46 H new ATOM 0 HD11 LEU A 12 -11.222 -9.973 2.753 1.00 0.62 H new ATOM 0 HD12 LEU A 12 -10.882 -11.560 3.483 1.00 0.62 H new ATOM 0 HD13 LEU A 12 -11.073 -10.127 4.520 1.00 0.62 H new ATOM 0 HD21 LEU A 12 -9.464 -8.192 2.761 1.00 0.58 H new ATOM 0 HD22 LEU A 12 -9.343 -8.349 4.530 1.00 0.58 H new ATOM 0 HD23 LEU A 12 -7.886 -8.508 3.521 1.00 0.58 H new ATOM 179 N PHE A 13 -6.301 -13.187 4.970 1.00 0.22 N ATOM 180 CA PHE A 13 -5.722 -14.219 5.875 1.00 0.23 C ATOM 181 C PHE A 13 -4.558 -14.914 5.181 1.00 0.26 C ATOM 182 O PHE A 13 -4.433 -14.859 3.973 1.00 0.82 O ATOM 183 CB PHE A 13 -6.802 -15.260 6.226 1.00 0.27 C ATOM 184 CG PHE A 13 -8.123 -14.563 6.595 1.00 0.36 C ATOM 185 CD1 PHE A 13 -8.129 -13.425 7.391 1.00 0.51 C ATOM 186 CD2 PHE A 13 -9.333 -15.061 6.134 1.00 0.33 C ATOM 187 CE1 PHE A 13 -9.314 -12.800 7.708 1.00 0.61 C ATOM 188 CE2 PHE A 13 -10.518 -14.430 6.459 1.00 0.46 C ATOM 189 CZ PHE A 13 -10.507 -13.301 7.244 1.00 0.58 C ATOM 0 H PHE A 13 -6.625 -13.531 4.066 1.00 0.22 H new ATOM 0 HA PHE A 13 -5.367 -13.739 6.787 1.00 0.23 H new ATOM 0 HB2 PHE A 13 -6.961 -15.928 5.379 1.00 0.27 H new ATOM 0 HB3 PHE A 13 -6.464 -15.876 7.059 1.00 0.27 H new ATOM 0 HD1 PHE A 13 -7.197 -13.027 7.764 1.00 0.51 H new ATOM 0 HD2 PHE A 13 -9.349 -15.947 5.517 1.00 0.33 H new ATOM 0 HE1 PHE A 13 -9.306 -11.913 8.324 1.00 0.61 H new ATOM 0 HE2 PHE A 13 -11.455 -14.824 6.096 1.00 0.46 H new ATOM 0 HZ PHE A 13 -11.435 -12.808 7.496 1.00 0.58 H new ATOM 199 N ASP A 14 -3.722 -15.554 5.948 1.00 0.52 N ATOM 200 CA ASP A 14 -2.567 -16.247 5.328 1.00 0.52 C ATOM 201 C ASP A 14 -2.933 -17.651 4.845 1.00 0.46 C ATOM 202 O ASP A 14 -3.874 -18.257 5.319 1.00 0.46 O ATOM 203 CB ASP A 14 -1.443 -16.342 6.369 1.00 0.77 C ATOM 204 CG ASP A 14 -1.966 -15.867 7.726 1.00 1.16 C ATOM 205 OD1 ASP A 14 -2.885 -16.510 8.209 1.00 1.17 O ATOM 206 OD2 ASP A 14 -1.417 -14.885 8.204 1.00 1.83 O ATOM 0 H ASP A 14 -3.788 -15.626 6.963 1.00 0.52 H new ATOM 0 HA ASP A 14 -2.248 -15.675 4.457 1.00 0.52 H new ATOM 0 HB2 ASP A 14 -1.087 -17.370 6.443 1.00 0.77 H new ATOM 0 HB3 ASP A 14 -0.594 -15.732 6.060 1.00 0.77 H new ATOM 211 N TYR A 15 -2.163 -18.130 3.902 1.00 0.41 N ATOM 212 CA TYR A 15 -2.403 -19.487 3.335 1.00 0.37 C ATOM 213 C TYR A 15 -1.096 -20.282 3.339 1.00 0.43 C ATOM 214 O TYR A 15 -0.040 -19.735 3.590 1.00 0.55 O ATOM 215 CB TYR A 15 -2.840 -19.309 1.875 1.00 0.23 C ATOM 216 CG TYR A 15 -3.582 -20.547 1.374 1.00 0.24 C ATOM 217 CD1 TYR A 15 -2.888 -21.680 1.025 1.00 0.24 C ATOM 218 CD2 TYR A 15 -4.956 -20.561 1.316 1.00 0.23 C ATOM 219 CE1 TYR A 15 -3.539 -22.813 0.640 1.00 0.24 C ATOM 220 CE2 TYR A 15 -5.633 -21.705 0.916 1.00 0.22 C ATOM 221 CZ TYR A 15 -4.922 -22.850 0.582 1.00 0.23 C ATOM 222 OH TYR A 15 -5.577 -24.019 0.251 1.00 0.23 O ATOM 0 H TYR A 15 -1.370 -17.632 3.498 1.00 0.41 H new ATOM 0 HA TYR A 15 -3.158 -20.011 3.922 1.00 0.37 H new ATOM 0 HB2 TYR A 15 -3.484 -18.434 1.788 1.00 0.23 H new ATOM 0 HB3 TYR A 15 -1.966 -19.125 1.249 1.00 0.23 H new ATOM 0 HD1 TYR A 15 -1.808 -21.672 1.056 1.00 0.24 H new ATOM 0 HD2 TYR A 15 -5.513 -19.675 1.584 1.00 0.23 H new ATOM 0 HE1 TYR A 15 -2.970 -23.692 0.377 1.00 0.24 H new ATOM 0 HE2 TYR A 15 -6.712 -21.704 0.865 1.00 0.22 H new ATOM 0 HH TYR A 15 -5.073 -24.491 -0.444 1.00 0.23 H new ATOM 232 N LYS A 16 -1.182 -21.549 3.056 1.00 0.40 N ATOM 233 CA LYS A 16 0.058 -22.372 3.039 1.00 0.45 C ATOM 234 C LYS A 16 0.011 -23.545 2.051 1.00 0.30 C ATOM 235 O LYS A 16 0.010 -24.690 2.458 1.00 0.24 O ATOM 236 CB LYS A 16 0.329 -22.933 4.437 1.00 0.69 C ATOM 237 CG LYS A 16 1.775 -23.447 4.474 1.00 0.75 C ATOM 238 CD LYS A 16 2.096 -24.007 5.860 1.00 1.01 C ATOM 239 CE LYS A 16 3.340 -24.889 5.753 1.00 1.88 C ATOM 240 NZ LYS A 16 4.080 -24.909 7.044 1.00 1.97 N ATOM 0 H LYS A 16 -2.045 -22.047 2.838 1.00 0.40 H new ATOM 0 HA LYS A 16 0.854 -21.702 2.713 1.00 0.45 H new ATOM 0 HB2 LYS A 16 0.180 -22.161 5.192 1.00 0.69 H new ATOM 0 HB3 LYS A 16 -0.367 -23.740 4.665 1.00 0.69 H new ATOM 0 HG2 LYS A 16 1.914 -24.221 3.719 1.00 0.75 H new ATOM 0 HG3 LYS A 16 2.464 -22.638 4.231 1.00 0.75 H new ATOM 0 HD2 LYS A 16 2.268 -23.194 6.566 1.00 1.01 H new ATOM 0 HD3 LYS A 16 1.253 -24.585 6.239 1.00 1.01 H new ATOM 0 HE2 LYS A 16 3.051 -25.903 5.478 1.00 1.88 H new ATOM 0 HE3 LYS A 16 3.990 -24.517 4.961 1.00 1.88 H new ATOM 0 HZ1 LYS A 16 4.922 -25.513 6.952 1.00 1.97 H new ATOM 0 HZ2 LYS A 16 4.373 -23.942 7.291 1.00 1.97 H new ATOM 0 HZ3 LYS A 16 3.463 -25.286 7.792 1.00 1.97 H new ATOM 254 N ALA A 17 -0.043 -23.242 0.774 1.00 0.26 N ATOM 255 CA ALA A 17 -0.076 -24.338 -0.240 1.00 0.14 C ATOM 256 C ALA A 17 1.279 -24.366 -0.892 1.00 0.20 C ATOM 257 O ALA A 17 1.885 -25.397 -1.078 1.00 0.23 O ATOM 258 CB ALA A 17 -1.081 -24.061 -1.358 1.00 0.13 C ATOM 0 H ALA A 17 -0.065 -22.295 0.397 1.00 0.26 H new ATOM 0 HA ALA A 17 -0.351 -25.265 0.263 1.00 0.14 H new ATOM 0 HB1 ALA A 17 -1.069 -24.886 -2.071 1.00 0.13 H new ATOM 0 HB2 ALA A 17 -2.080 -23.963 -0.933 1.00 0.13 H new ATOM 0 HB3 ALA A 17 -0.812 -23.136 -1.868 1.00 0.13 H new ATOM 264 N GLN A 18 1.684 -23.178 -1.239 1.00 0.32 N ATOM 265 CA GLN A 18 3.008 -22.975 -1.900 1.00 0.47 C ATOM 266 C GLN A 18 3.011 -23.489 -3.336 1.00 0.57 C ATOM 267 O GLN A 18 3.675 -22.940 -4.191 1.00 0.77 O ATOM 268 CB GLN A 18 4.064 -23.736 -1.094 1.00 0.44 C ATOM 269 CG GLN A 18 5.453 -23.152 -1.369 1.00 0.41 C ATOM 270 CD GLN A 18 6.469 -23.835 -0.449 1.00 0.68 C ATOM 271 OE1 GLN A 18 6.142 -24.751 0.280 1.00 2.56 O ATOM 272 NE2 GLN A 18 7.706 -23.422 -0.449 1.00 1.55 N ATOM 0 H GLN A 18 1.147 -22.323 -1.091 1.00 0.32 H new ATOM 0 HA GLN A 18 3.222 -21.907 -1.930 1.00 0.47 H new ATOM 0 HB2 GLN A 18 3.837 -23.672 -0.030 1.00 0.44 H new ATOM 0 HB3 GLN A 18 4.045 -24.793 -1.361 1.00 0.44 H new ATOM 0 HG2 GLN A 18 5.727 -23.306 -2.413 1.00 0.41 H new ATOM 0 HG3 GLN A 18 5.451 -22.076 -1.195 1.00 0.41 H new ATOM 0 HE21 GLN A 18 7.987 -22.654 -1.058 1.00 1.55 H new ATOM 0 HE22 GLN A 18 8.392 -23.867 0.160 1.00 1.55 H new ATOM 281 N ARG A 19 2.272 -24.530 -3.574 1.00 0.47 N ATOM 282 CA ARG A 19 2.227 -25.085 -4.951 1.00 0.63 C ATOM 283 C ARG A 19 1.287 -26.277 -4.999 1.00 0.64 C ATOM 284 O ARG A 19 1.729 -27.400 -5.148 1.00 0.67 O ATOM 285 CB ARG A 19 3.636 -25.558 -5.341 1.00 0.73 C ATOM 286 CG ARG A 19 4.292 -26.235 -4.129 1.00 2.89 C ATOM 287 CD ARG A 19 5.417 -27.171 -4.589 1.00 3.44 C ATOM 288 NE ARG A 19 5.828 -28.019 -3.436 1.00 3.71 N ATOM 289 CZ ARG A 19 5.037 -28.973 -3.031 1.00 4.45 C ATOM 290 NH1 ARG A 19 4.984 -30.081 -3.718 1.00 4.62 N ATOM 291 NH2 ARG A 19 4.320 -28.787 -1.956 1.00 5.81 N ATOM 0 H ARG A 19 1.702 -25.018 -2.883 1.00 0.47 H new ATOM 0 HA ARG A 19 1.875 -24.315 -5.638 1.00 0.63 H new ATOM 0 HB2 ARG A 19 3.581 -26.255 -6.177 1.00 0.73 H new ATOM 0 HB3 ARG A 19 4.239 -24.712 -5.671 1.00 0.73 H new ATOM 0 HG2 ARG A 19 4.692 -25.479 -3.453 1.00 2.89 H new ATOM 0 HG3 ARG A 19 3.545 -26.799 -3.570 1.00 2.89 H new ATOM 0 HD2 ARG A 19 5.076 -27.795 -5.415 1.00 3.44 H new ATOM 0 HD3 ARG A 19 6.265 -26.592 -4.955 1.00 3.44 H new ATOM 0 HE ARG A 19 6.719 -27.855 -2.968 1.00 3.71 H new ATOM 0 HH11 ARG A 19 5.555 -30.189 -4.556 1.00 4.62 H new ATOM 0 HH12 ARG A 19 4.371 -30.839 -3.417 1.00 4.62 H new ATOM 0 HH21 ARG A 19 4.384 -27.906 -1.447 1.00 5.81 H new ATOM 0 HH22 ARG A 19 3.696 -29.523 -1.625 1.00 5.81 H new ATOM 305 N GLU A 20 0.009 -26.014 -4.876 1.00 0.66 N ATOM 306 CA GLU A 20 -0.966 -27.151 -4.914 1.00 0.78 C ATOM 307 C GLU A 20 -2.105 -26.840 -5.858 1.00 0.68 C ATOM 308 O GLU A 20 -3.025 -27.610 -5.987 1.00 0.97 O ATOM 309 CB GLU A 20 -1.522 -27.362 -3.490 1.00 0.78 C ATOM 310 CG GLU A 20 -2.809 -26.539 -3.272 1.00 0.66 C ATOM 311 CD GLU A 20 -4.048 -27.310 -3.757 1.00 0.75 C ATOM 312 OE1 GLU A 20 -3.932 -28.515 -3.885 1.00 1.30 O ATOM 313 OE2 GLU A 20 -5.045 -26.646 -3.976 1.00 0.66 O ATOM 0 H GLU A 20 -0.395 -25.086 -4.754 1.00 0.66 H new ATOM 0 HA GLU A 20 -0.462 -28.051 -5.266 1.00 0.78 H new ATOM 0 HB2 GLU A 20 -1.731 -28.420 -3.330 1.00 0.78 H new ATOM 0 HB3 GLU A 20 -0.771 -27.071 -2.756 1.00 0.78 H new ATOM 0 HG2 GLU A 20 -2.917 -26.300 -2.214 1.00 0.66 H new ATOM 0 HG3 GLU A 20 -2.734 -25.592 -3.807 1.00 0.66 H new ATOM 320 N ASP A 21 -1.928 -25.744 -6.534 1.00 0.64 N ATOM 321 CA ASP A 21 -2.903 -25.204 -7.519 1.00 0.36 C ATOM 322 C ASP A 21 -3.438 -23.989 -6.787 1.00 0.50 C ATOM 323 O ASP A 21 -4.177 -23.175 -7.288 1.00 1.74 O ATOM 324 CB ASP A 21 -4.041 -26.188 -7.861 1.00 0.32 C ATOM 325 CG ASP A 21 -3.453 -27.480 -8.440 1.00 0.38 C ATOM 326 OD1 ASP A 21 -2.555 -27.349 -9.257 1.00 0.35 O ATOM 327 OD2 ASP A 21 -3.933 -28.526 -8.030 1.00 0.70 O ATOM 0 H ASP A 21 -1.094 -25.166 -6.436 1.00 0.64 H new ATOM 0 HA ASP A 21 -2.447 -24.995 -8.487 1.00 0.36 H new ATOM 0 HB2 ASP A 21 -4.622 -26.411 -6.966 1.00 0.32 H new ATOM 0 HB3 ASP A 21 -4.723 -25.734 -8.580 1.00 0.32 H new ATOM 332 N GLU A 22 -2.979 -23.945 -5.563 1.00 0.43 N ATOM 333 CA GLU A 22 -3.309 -22.882 -4.598 1.00 0.13 C ATOM 334 C GLU A 22 -1.929 -22.463 -4.063 1.00 0.11 C ATOM 335 O GLU A 22 -0.995 -23.212 -4.268 1.00 0.18 O ATOM 336 CB GLU A 22 -4.188 -23.504 -3.494 1.00 0.23 C ATOM 337 CG GLU A 22 -5.302 -22.550 -3.069 1.00 0.29 C ATOM 338 CD GLU A 22 -6.226 -23.264 -2.088 1.00 0.54 C ATOM 339 OE1 GLU A 22 -6.189 -24.484 -2.102 1.00 0.61 O ATOM 340 OE2 GLU A 22 -6.922 -22.555 -1.381 1.00 0.99 O ATOM 0 H GLU A 22 -2.351 -24.653 -5.184 1.00 0.43 H new ATOM 0 HA GLU A 22 -3.858 -22.033 -5.005 1.00 0.13 H new ATOM 0 HB2 GLU A 22 -4.623 -24.436 -3.854 1.00 0.23 H new ATOM 0 HB3 GLU A 22 -3.570 -23.753 -2.631 1.00 0.23 H new ATOM 0 HG2 GLU A 22 -4.877 -21.660 -2.605 1.00 0.29 H new ATOM 0 HG3 GLU A 22 -5.865 -22.217 -3.941 1.00 0.29 H new ATOM 347 N LEU A 23 -1.770 -21.313 -3.440 1.00 0.10 N ATOM 348 CA LEU A 23 -0.381 -20.963 -2.942 1.00 0.21 C ATOM 349 C LEU A 23 -0.361 -20.636 -1.467 1.00 0.23 C ATOM 350 O LEU A 23 -1.385 -20.567 -0.830 1.00 0.31 O ATOM 351 CB LEU A 23 0.203 -19.738 -3.660 1.00 0.34 C ATOM 352 CG LEU A 23 -0.417 -19.559 -5.045 1.00 0.40 C ATOM 353 CD1 LEU A 23 -1.211 -18.245 -5.167 1.00 0.43 C ATOM 354 CD2 LEU A 23 0.731 -19.566 -6.049 1.00 0.33 C ATOM 0 H LEU A 23 -2.501 -20.625 -3.257 1.00 0.10 H new ATOM 0 HA LEU A 23 0.213 -21.854 -3.147 1.00 0.21 H new ATOM 0 HB2 LEU A 23 0.026 -18.844 -3.062 1.00 0.34 H new ATOM 0 HB3 LEU A 23 1.283 -19.850 -3.754 1.00 0.34 H new ATOM 0 HG LEU A 23 -1.126 -20.366 -5.231 1.00 0.40 H new ATOM 0 HD11 LEU A 23 -1.631 -18.166 -6.170 1.00 0.43 H new ATOM 0 HD12 LEU A 23 -2.018 -18.238 -4.434 1.00 0.43 H new ATOM 0 HD13 LEU A 23 -0.547 -17.400 -4.984 1.00 0.43 H new ATOM 0 HD21 LEU A 23 0.334 -19.440 -7.056 1.00 0.33 H new ATOM 0 HD22 LEU A 23 1.416 -18.748 -5.824 1.00 0.33 H new ATOM 0 HD23 LEU A 23 1.265 -20.514 -5.985 1.00 0.33 H new ATOM 366 N THR A 24 0.822 -20.376 -0.978 1.00 0.31 N ATOM 367 CA THR A 24 0.981 -20.045 0.449 1.00 0.39 C ATOM 368 C THR A 24 0.987 -18.559 0.618 1.00 0.40 C ATOM 369 O THR A 24 1.558 -18.044 1.557 1.00 0.48 O ATOM 370 CB THR A 24 2.332 -20.573 0.941 1.00 0.48 C ATOM 371 OG1 THR A 24 2.440 -20.144 2.287 1.00 0.51 O ATOM 372 CG2 THR A 24 3.473 -19.843 0.235 1.00 0.52 C ATOM 0 H THR A 24 1.687 -20.381 -1.519 1.00 0.31 H new ATOM 0 HA THR A 24 0.161 -20.492 1.012 1.00 0.39 H new ATOM 0 HB THR A 24 2.388 -21.650 0.782 1.00 0.48 H new ATOM 0 HG1 THR A 24 2.522 -19.168 2.314 1.00 0.51 H new ATOM 0 HG21 THR A 24 4.428 -20.227 0.594 1.00 0.52 H new ATOM 0 HG22 THR A 24 3.398 -20.004 -0.840 1.00 0.52 H new ATOM 0 HG23 THR A 24 3.409 -18.776 0.447 1.00 0.52 H new ATOM 380 N PHE A 25 0.378 -17.899 -0.313 1.00 0.36 N ATOM 381 CA PHE A 25 0.338 -16.438 -0.214 1.00 0.38 C ATOM 382 C PHE A 25 -0.035 -16.085 1.221 1.00 0.35 C ATOM 383 O PHE A 25 -0.850 -16.752 1.826 1.00 0.33 O ATOM 384 CB PHE A 25 -0.665 -15.907 -1.221 1.00 0.32 C ATOM 385 CG PHE A 25 -2.002 -16.583 -1.025 1.00 0.31 C ATOM 386 CD1 PHE A 25 -2.874 -16.139 -0.062 1.00 0.34 C ATOM 387 CD2 PHE A 25 -2.369 -17.620 -1.849 1.00 0.34 C ATOM 388 CE1 PHE A 25 -4.113 -16.725 0.069 1.00 0.41 C ATOM 389 CE2 PHE A 25 -3.582 -18.211 -1.734 1.00 0.43 C ATOM 390 CZ PHE A 25 -4.465 -17.769 -0.770 1.00 0.47 C ATOM 0 H PHE A 25 -0.086 -18.306 -1.125 1.00 0.36 H new ATOM 0 HA PHE A 25 1.301 -15.982 -0.444 1.00 0.38 H new ATOM 0 HB2 PHE A 25 -0.773 -14.829 -1.105 1.00 0.32 H new ATOM 0 HB3 PHE A 25 -0.304 -16.084 -2.234 1.00 0.32 H new ATOM 0 HD1 PHE A 25 -2.588 -15.330 0.593 1.00 0.34 H new ATOM 0 HD2 PHE A 25 -1.678 -17.970 -2.602 1.00 0.34 H new ATOM 0 HE1 PHE A 25 -4.805 -16.373 0.820 1.00 0.41 H new ATOM 0 HE2 PHE A 25 -3.856 -19.022 -2.392 1.00 0.43 H new ATOM 0 HZ PHE A 25 -5.433 -18.238 -0.670 1.00 0.47 H new ATOM 400 N ILE A 26 0.551 -15.048 1.728 1.00 0.36 N ATOM 401 CA ILE A 26 0.254 -14.647 3.132 1.00 0.33 C ATOM 402 C ILE A 26 -0.702 -13.476 3.251 1.00 0.17 C ATOM 403 O ILE A 26 -1.049 -12.838 2.277 1.00 0.14 O ATOM 404 CB ILE A 26 1.582 -14.233 3.760 1.00 0.46 C ATOM 405 CG1 ILE A 26 2.397 -13.440 2.736 1.00 0.57 C ATOM 406 CG2 ILE A 26 2.346 -15.510 4.134 1.00 0.38 C ATOM 407 CD1 ILE A 26 3.396 -12.535 3.461 1.00 0.83 C ATOM 0 H ILE A 26 1.223 -14.457 1.237 1.00 0.36 H new ATOM 0 HA ILE A 26 -0.225 -15.492 3.626 1.00 0.33 H new ATOM 0 HB ILE A 26 1.413 -13.616 4.642 1.00 0.46 H new ATOM 0 HG12 ILE A 26 2.926 -14.122 2.071 1.00 0.57 H new ATOM 0 HG13 ILE A 26 1.733 -12.840 2.114 1.00 0.57 H new ATOM 0 HG21 ILE A 26 3.301 -15.243 4.586 1.00 0.38 H new ATOM 0 HG22 ILE A 26 1.758 -16.091 4.845 1.00 0.38 H new ATOM 0 HG23 ILE A 26 2.522 -16.104 3.237 1.00 0.38 H new ATOM 0 HD11 ILE A 26 3.975 -11.972 2.729 1.00 0.83 H new ATOM 0 HD12 ILE A 26 2.857 -11.843 4.108 1.00 0.83 H new ATOM 0 HD13 ILE A 26 4.069 -13.145 4.064 1.00 0.83 H new ATOM 419 N LYS A 27 -1.115 -13.225 4.471 1.00 0.24 N ATOM 420 CA LYS A 27 -2.047 -12.105 4.711 1.00 0.33 C ATOM 421 C LYS A 27 -1.343 -10.822 4.372 1.00 0.35 C ATOM 422 O LYS A 27 -0.526 -10.360 5.136 1.00 0.76 O ATOM 423 CB LYS A 27 -2.420 -12.052 6.198 1.00 0.54 C ATOM 424 CG LYS A 27 -3.079 -10.693 6.525 1.00 0.65 C ATOM 425 CD LYS A 27 -3.586 -10.744 7.972 1.00 2.48 C ATOM 426 CE LYS A 27 -4.230 -9.409 8.349 1.00 2.05 C ATOM 427 NZ LYS A 27 -3.196 -8.438 8.806 1.00 0.64 N ATOM 0 H LYS A 27 -0.842 -13.752 5.301 1.00 0.24 H new ATOM 0 HA LYS A 27 -2.942 -12.241 4.104 1.00 0.33 H new ATOM 0 HB2 LYS A 27 -3.104 -12.866 6.440 1.00 0.54 H new ATOM 0 HB3 LYS A 27 -1.529 -12.191 6.811 1.00 0.54 H new ATOM 0 HG2 LYS A 27 -2.361 -9.882 6.402 1.00 0.65 H new ATOM 0 HG3 LYS A 27 -3.903 -10.495 5.840 1.00 0.65 H new ATOM 0 HD2 LYS A 27 -4.310 -11.551 8.084 1.00 2.48 H new ATOM 0 HD3 LYS A 27 -2.759 -10.962 8.648 1.00 2.48 H new ATOM 0 HE2 LYS A 27 -4.765 -9.002 7.491 1.00 2.05 H new ATOM 0 HE3 LYS A 27 -4.965 -9.564 9.139 1.00 2.05 H new ATOM 0 HZ1 LYS A 27 -3.652 -7.538 9.058 1.00 0.64 H new ATOM 0 HZ2 LYS A 27 -2.704 -8.821 9.638 1.00 0.64 H new ATOM 0 HZ3 LYS A 27 -2.510 -8.276 8.042 1.00 0.64 H new ATOM 441 N SER A 28 -1.673 -10.325 3.225 1.00 0.40 N ATOM 442 CA SER A 28 -1.098 -9.057 2.699 1.00 0.34 C ATOM 443 C SER A 28 -0.611 -9.274 1.272 1.00 0.24 C ATOM 444 O SER A 28 -0.357 -8.336 0.546 1.00 0.20 O ATOM 445 CB SER A 28 0.105 -8.551 3.520 1.00 0.36 C ATOM 446 OG SER A 28 -0.449 -8.141 4.760 1.00 2.38 O ATOM 0 H SER A 28 -2.348 -10.762 2.598 1.00 0.40 H new ATOM 0 HA SER A 28 -1.894 -8.314 2.756 1.00 0.34 H new ATOM 0 HB2 SER A 28 0.848 -9.337 3.659 1.00 0.36 H new ATOM 0 HB3 SER A 28 0.607 -7.724 3.018 1.00 0.36 H new ATOM 0 HG SER A 28 -0.508 -8.911 5.363 1.00 2.38 H new ATOM 452 N ALA A 29 -0.490 -10.523 0.901 1.00 0.28 N ATOM 453 CA ALA A 29 -0.021 -10.837 -0.470 1.00 0.27 C ATOM 454 C ALA A 29 -0.902 -10.115 -1.463 1.00 0.26 C ATOM 455 O ALA A 29 -2.045 -9.851 -1.165 1.00 0.34 O ATOM 456 CB ALA A 29 -0.155 -12.348 -0.693 1.00 0.32 C ATOM 0 H ALA A 29 -0.696 -11.331 1.489 1.00 0.28 H new ATOM 0 HA ALA A 29 1.016 -10.526 -0.598 1.00 0.27 H new ATOM 0 HB1 ALA A 29 0.186 -12.599 -1.698 1.00 0.32 H new ATOM 0 HB2 ALA A 29 0.453 -12.879 0.040 1.00 0.32 H new ATOM 0 HB3 ALA A 29 -1.199 -12.641 -0.580 1.00 0.32 H new ATOM 462 N ILE A 30 -0.375 -9.804 -2.618 1.00 0.24 N ATOM 463 CA ILE A 30 -1.198 -9.095 -3.619 1.00 0.20 C ATOM 464 C ILE A 30 -1.177 -9.861 -4.938 1.00 0.15 C ATOM 465 O ILE A 30 -0.247 -9.761 -5.715 1.00 0.09 O ATOM 466 CB ILE A 30 -0.609 -7.701 -3.829 1.00 0.18 C ATOM 467 CG1 ILE A 30 0.100 -7.214 -2.563 1.00 0.26 C ATOM 468 CG2 ILE A 30 -1.766 -6.744 -4.127 1.00 0.22 C ATOM 469 CD1 ILE A 30 1.550 -7.708 -2.559 1.00 2.48 C ATOM 0 H ILE A 30 0.582 -10.012 -2.902 1.00 0.24 H new ATOM 0 HA ILE A 30 -2.228 -9.020 -3.270 1.00 0.20 H new ATOM 0 HB ILE A 30 0.111 -7.734 -4.647 1.00 0.18 H new ATOM 0 HG12 ILE A 30 0.077 -6.125 -2.518 1.00 0.26 H new ATOM 0 HG13 ILE A 30 -0.421 -7.581 -1.679 1.00 0.26 H new ATOM 0 HG21 ILE A 30 -1.376 -5.738 -4.282 1.00 0.22 H new ATOM 0 HG22 ILE A 30 -2.288 -7.073 -5.026 1.00 0.22 H new ATOM 0 HG23 ILE A 30 -2.459 -6.738 -3.286 1.00 0.22 H new ATOM 0 HD11 ILE A 30 2.051 -7.359 -1.656 1.00 2.48 H new ATOM 0 HD12 ILE A 30 1.563 -8.798 -2.583 1.00 2.48 H new ATOM 0 HD13 ILE A 30 2.069 -7.319 -3.435 1.00 2.48 H new ATOM 481 N ILE A 31 -2.207 -10.619 -5.158 1.00 0.22 N ATOM 482 CA ILE A 31 -2.286 -11.411 -6.407 1.00 0.19 C ATOM 483 C ILE A 31 -2.879 -10.553 -7.538 1.00 0.15 C ATOM 484 O ILE A 31 -3.680 -9.679 -7.275 1.00 0.20 O ATOM 485 CB ILE A 31 -3.169 -12.626 -6.110 1.00 0.27 C ATOM 486 CG1 ILE A 31 -2.554 -13.391 -4.919 1.00 0.33 C ATOM 487 CG2 ILE A 31 -3.192 -13.528 -7.358 1.00 0.26 C ATOM 488 CD1 ILE A 31 -3.545 -14.407 -4.360 1.00 0.26 C ATOM 0 H ILE A 31 -3.000 -10.724 -4.525 1.00 0.22 H new ATOM 0 HA ILE A 31 -1.299 -11.736 -6.735 1.00 0.19 H new ATOM 0 HB ILE A 31 -4.186 -12.321 -5.864 1.00 0.27 H new ATOM 0 HG12 ILE A 31 -1.645 -13.900 -5.238 1.00 0.33 H new ATOM 0 HG13 ILE A 31 -2.267 -12.687 -4.137 1.00 0.33 H new ATOM 0 HG21 ILE A 31 -3.817 -14.400 -7.165 1.00 0.26 H new ATOM 0 HG22 ILE A 31 -3.597 -12.971 -8.202 1.00 0.26 H new ATOM 0 HG23 ILE A 31 -2.178 -13.853 -7.591 1.00 0.26 H new ATOM 0 HD11 ILE A 31 -3.091 -14.935 -3.521 1.00 0.26 H new ATOM 0 HD12 ILE A 31 -4.443 -13.891 -4.020 1.00 0.26 H new ATOM 0 HD13 ILE A 31 -3.810 -15.123 -5.138 1.00 0.26 H new ATOM 500 N GLN A 32 -2.481 -10.816 -8.770 1.00 0.12 N ATOM 501 CA GLN A 32 -3.021 -10.006 -9.910 1.00 0.14 C ATOM 502 C GLN A 32 -3.836 -10.865 -10.874 1.00 0.14 C ATOM 503 O GLN A 32 -3.798 -12.079 -10.815 1.00 0.11 O ATOM 504 CB GLN A 32 -1.832 -9.396 -10.667 1.00 0.26 C ATOM 505 CG GLN A 32 -1.374 -8.130 -9.933 1.00 0.74 C ATOM 506 CD GLN A 32 -0.202 -7.494 -10.687 1.00 0.56 C ATOM 507 OE1 GLN A 32 0.949 -7.745 -10.391 1.00 1.73 O ATOM 508 NE2 GLN A 32 -0.452 -6.664 -11.665 1.00 1.64 N ATOM 0 H GLN A 32 -1.816 -11.545 -9.028 1.00 0.12 H new ATOM 0 HA GLN A 32 -3.679 -9.233 -9.512 1.00 0.14 H new ATOM 0 HB2 GLN A 32 -1.014 -10.114 -10.726 1.00 0.26 H new ATOM 0 HB3 GLN A 32 -2.120 -9.155 -11.690 1.00 0.26 H new ATOM 0 HG2 GLN A 32 -2.199 -7.422 -9.859 1.00 0.74 H new ATOM 0 HG3 GLN A 32 -1.073 -8.377 -8.915 1.00 0.74 H new ATOM 0 HE21 GLN A 32 -1.417 -6.450 -11.918 1.00 1.64 H new ATOM 0 HE22 GLN A 32 0.317 -6.231 -12.175 1.00 1.64 H new ATOM 517 N ASN A 33 -4.560 -10.215 -11.747 1.00 0.22 N ATOM 518 CA ASN A 33 -5.382 -10.975 -12.717 1.00 0.29 C ATOM 519 C ASN A 33 -6.208 -11.969 -11.953 1.00 0.29 C ATOM 520 O ASN A 33 -5.775 -13.071 -11.690 1.00 0.33 O ATOM 521 CB ASN A 33 -4.472 -11.716 -13.703 1.00 0.36 C ATOM 522 CG ASN A 33 -4.291 -10.864 -14.959 1.00 0.73 C ATOM 523 OD1 ASN A 33 -3.637 -9.841 -14.939 1.00 1.02 O ATOM 524 ND2 ASN A 33 -4.856 -11.248 -16.071 1.00 0.92 N ATOM 0 H ASN A 33 -4.614 -9.199 -11.826 1.00 0.22 H new ATOM 0 HA ASN A 33 -6.025 -10.295 -13.276 1.00 0.29 H new ATOM 0 HB2 ASN A 33 -3.504 -11.917 -13.243 1.00 0.36 H new ATOM 0 HB3 ASN A 33 -4.907 -12.681 -13.963 1.00 0.36 H new ATOM 0 HD21 ASN A 33 -4.747 -10.690 -16.918 1.00 0.92 H new ATOM 0 HD22 ASN A 33 -5.406 -12.106 -16.093 1.00 0.92 H new ATOM 531 N VAL A 34 -7.390 -11.551 -11.614 1.00 0.28 N ATOM 532 CA VAL A 34 -8.280 -12.448 -10.852 1.00 0.30 C ATOM 533 C VAL A 34 -9.622 -12.688 -11.525 1.00 0.41 C ATOM 534 O VAL A 34 -10.084 -11.899 -12.322 1.00 0.40 O ATOM 535 CB VAL A 34 -8.470 -11.771 -9.494 1.00 0.20 C ATOM 536 CG1 VAL A 34 -9.946 -11.710 -9.089 1.00 0.30 C ATOM 537 CG2 VAL A 34 -7.685 -12.555 -8.469 1.00 0.24 C ATOM 0 H VAL A 34 -7.773 -10.631 -11.832 1.00 0.28 H new ATOM 0 HA VAL A 34 -7.832 -13.439 -10.773 1.00 0.30 H new ATOM 0 HB VAL A 34 -8.114 -10.743 -9.555 1.00 0.20 H new ATOM 0 HG11 VAL A 34 -10.037 -11.222 -8.119 1.00 0.30 H new ATOM 0 HG12 VAL A 34 -10.505 -11.144 -9.834 1.00 0.30 H new ATOM 0 HG13 VAL A 34 -10.348 -12.721 -9.026 1.00 0.30 H new ATOM 0 HG21 VAL A 34 -7.803 -12.093 -7.489 1.00 0.24 H new ATOM 0 HG22 VAL A 34 -8.054 -13.580 -8.434 1.00 0.24 H new ATOM 0 HG23 VAL A 34 -6.630 -12.559 -8.744 1.00 0.24 H new ATOM 547 N GLU A 35 -10.219 -13.788 -11.155 1.00 0.51 N ATOM 548 CA GLU A 35 -11.534 -14.164 -11.719 1.00 0.63 C ATOM 549 C GLU A 35 -12.176 -15.251 -10.848 1.00 0.45 C ATOM 550 O GLU A 35 -11.917 -16.422 -11.051 1.00 0.31 O ATOM 551 CB GLU A 35 -11.300 -14.723 -13.136 1.00 0.75 C ATOM 552 CG GLU A 35 -11.851 -13.742 -14.177 1.00 1.36 C ATOM 553 CD GLU A 35 -11.356 -14.151 -15.565 1.00 1.98 C ATOM 554 OE1 GLU A 35 -11.219 -15.348 -15.761 1.00 2.90 O ATOM 555 OE2 GLU A 35 -11.137 -13.245 -16.352 1.00 1.61 O ATOM 0 H GLU A 35 -9.841 -14.448 -10.475 1.00 0.51 H new ATOM 0 HA GLU A 35 -12.194 -13.297 -11.750 1.00 0.63 H new ATOM 0 HB2 GLU A 35 -10.235 -14.884 -13.302 1.00 0.75 H new ATOM 0 HB3 GLU A 35 -11.789 -15.692 -13.240 1.00 0.75 H new ATOM 0 HG2 GLU A 35 -12.941 -13.741 -14.152 1.00 1.36 H new ATOM 0 HG3 GLU A 35 -11.526 -12.728 -13.946 1.00 1.36 H new ATOM 562 N LYS A 36 -12.967 -14.842 -9.869 1.00 0.59 N ATOM 563 CA LYS A 36 -13.626 -15.856 -8.983 1.00 0.59 C ATOM 564 C LYS A 36 -14.045 -17.049 -9.816 1.00 0.47 C ATOM 565 O LYS A 36 -14.219 -16.940 -11.014 1.00 0.35 O ATOM 566 CB LYS A 36 -14.865 -15.233 -8.326 1.00 0.81 C ATOM 567 CG LYS A 36 -14.702 -13.717 -8.212 1.00 0.92 C ATOM 568 CD LYS A 36 -15.845 -13.176 -7.352 1.00 1.03 C ATOM 569 CE LYS A 36 -15.619 -11.696 -7.048 1.00 1.11 C ATOM 570 NZ LYS A 36 -16.628 -11.221 -6.059 1.00 2.25 N ATOM 0 H LYS A 36 -13.178 -13.868 -9.653 1.00 0.59 H new ATOM 0 HA LYS A 36 -12.927 -16.175 -8.210 1.00 0.59 H new ATOM 0 HB2 LYS A 36 -15.753 -15.467 -8.914 1.00 0.81 H new ATOM 0 HB3 LYS A 36 -15.016 -15.664 -7.336 1.00 0.81 H new ATOM 0 HG2 LYS A 36 -13.740 -13.471 -7.763 1.00 0.92 H new ATOM 0 HG3 LYS A 36 -14.720 -13.258 -9.200 1.00 0.92 H new ATOM 0 HD2 LYS A 36 -16.794 -13.308 -7.871 1.00 1.03 H new ATOM 0 HD3 LYS A 36 -15.909 -13.741 -6.422 1.00 1.03 H new ATOM 0 HE2 LYS A 36 -14.613 -11.546 -6.655 1.00 1.11 H new ATOM 0 HE3 LYS A 36 -15.693 -11.112 -7.965 1.00 1.11 H new ATOM 0 HZ1 LYS A 36 -16.468 -10.213 -5.857 1.00 2.25 H new ATOM 0 HZ2 LYS A 36 -17.583 -11.349 -6.449 1.00 2.25 H new ATOM 0 HZ3 LYS A 36 -16.537 -11.769 -5.180 1.00 2.25 H new ATOM 623 N GLY A 40 -16.633 -19.664 -5.354 1.00 0.49 N ATOM 624 CA GLY A 40 -15.881 -18.683 -4.526 1.00 0.37 C ATOM 625 C GLY A 40 -14.394 -19.029 -4.509 1.00 0.32 C ATOM 626 O GLY A 40 -13.818 -19.219 -3.456 1.00 0.24 O ATOM 0 HA2 GLY A 40 -16.022 -17.678 -4.924 1.00 0.37 H new ATOM 0 HA3 GLY A 40 -16.272 -18.681 -3.509 1.00 0.37 H new ATOM 630 N TRP A 41 -13.804 -19.105 -5.674 1.00 0.39 N ATOM 631 CA TRP A 41 -12.356 -19.435 -5.745 1.00 0.35 C ATOM 632 C TRP A 41 -11.743 -18.491 -6.742 1.00 0.35 C ATOM 633 O TRP A 41 -12.258 -18.300 -7.817 1.00 0.46 O ATOM 634 CB TRP A 41 -12.203 -20.912 -6.093 1.00 0.35 C ATOM 635 CG TRP A 41 -12.752 -21.630 -4.859 1.00 0.33 C ATOM 636 CD1 TRP A 41 -14.067 -21.818 -4.646 1.00 0.32 C ATOM 637 CD2 TRP A 41 -12.086 -21.788 -3.701 1.00 0.30 C ATOM 638 NE1 TRP A 41 -14.151 -22.060 -3.336 1.00 0.27 N ATOM 639 CE2 TRP A 41 -12.972 -22.048 -2.671 1.00 0.26 C ATOM 640 CE3 TRP A 41 -10.734 -21.696 -3.426 1.00 0.30 C ATOM 641 CZ2 TRP A 41 -12.516 -22.185 -1.372 1.00 0.23 C ATOM 642 CZ3 TRP A 41 -10.276 -21.846 -2.130 1.00 0.26 C ATOM 643 CH2 TRP A 41 -11.174 -22.086 -1.096 1.00 0.22 C ATOM 0 H TRP A 41 -14.262 -18.953 -6.573 1.00 0.39 H new ATOM 0 HA TRP A 41 -11.833 -19.302 -4.798 1.00 0.35 H new ATOM 0 HB2 TRP A 41 -12.763 -21.173 -6.991 1.00 0.35 H new ATOM 0 HB3 TRP A 41 -11.162 -21.174 -6.280 1.00 0.35 H new ATOM 0 HD1 TRP A 41 -14.869 -21.782 -5.368 1.00 0.32 H new ATOM 0 HE1 TRP A 41 -15.040 -22.241 -2.869 1.00 0.27 H new ATOM 0 HE3 TRP A 41 -10.034 -21.506 -4.226 1.00 0.30 H new ATOM 0 HZ2 TRP A 41 -13.218 -22.370 -0.572 1.00 0.23 H new ATOM 0 HZ3 TRP A 41 -9.219 -21.777 -1.921 1.00 0.26 H new ATOM 0 HH2 TRP A 41 -10.819 -22.194 -0.082 1.00 0.22 H new ATOM 654 N TRP A 42 -10.650 -17.919 -6.352 1.00 0.26 N ATOM 655 CA TRP A 42 -9.967 -16.957 -7.225 1.00 0.27 C ATOM 656 C TRP A 42 -8.701 -17.446 -7.906 1.00 0.21 C ATOM 657 O TRP A 42 -7.986 -18.240 -7.367 1.00 0.39 O ATOM 658 CB TRP A 42 -9.519 -15.873 -6.269 1.00 0.30 C ATOM 659 CG TRP A 42 -10.733 -15.214 -5.637 1.00 0.37 C ATOM 660 CD1 TRP A 42 -11.814 -15.885 -5.189 1.00 0.38 C ATOM 661 CD2 TRP A 42 -10.946 -13.916 -5.599 1.00 0.45 C ATOM 662 NE1 TRP A 42 -12.674 -14.914 -4.942 1.00 0.47 N ATOM 663 CE2 TRP A 42 -12.220 -13.668 -5.152 1.00 0.51 C ATOM 664 CE3 TRP A 42 -10.086 -12.870 -5.844 1.00 0.49 C ATOM 665 CZ2 TRP A 42 -12.658 -12.390 -4.963 1.00 0.60 C ATOM 666 CZ3 TRP A 42 -10.518 -11.582 -5.645 1.00 0.59 C ATOM 667 CH2 TRP A 42 -11.807 -11.337 -5.209 1.00 0.64 C ATOM 0 H TRP A 42 -10.198 -18.083 -5.452 1.00 0.26 H new ATOM 0 HA TRP A 42 -10.653 -16.687 -8.028 1.00 0.27 H new ATOM 0 HB2 TRP A 42 -8.880 -16.298 -5.495 1.00 0.30 H new ATOM 0 HB3 TRP A 42 -8.925 -15.129 -6.800 1.00 0.30 H new ATOM 0 HD1 TRP A 42 -11.944 -16.950 -5.064 1.00 0.38 H new ATOM 0 HE1 TRP A 42 -13.622 -15.098 -4.613 1.00 0.47 H new ATOM 0 HE3 TRP A 42 -9.081 -13.060 -6.190 1.00 0.49 H new ATOM 0 HZ2 TRP A 42 -13.666 -12.206 -4.622 1.00 0.60 H new ATOM 0 HZ3 TRP A 42 -9.847 -10.756 -5.830 1.00 0.59 H new ATOM 0 HH2 TRP A 42 -12.145 -10.322 -5.062 1.00 0.64 H new ATOM 678 N ARG A 43 -8.430 -16.884 -9.058 1.00 0.03 N ATOM 679 CA ARG A 43 -7.210 -17.277 -9.818 1.00 0.09 C ATOM 680 C ARG A 43 -6.292 -16.057 -9.930 1.00 0.12 C ATOM 681 O ARG A 43 -6.659 -14.988 -9.506 1.00 0.12 O ATOM 682 CB ARG A 43 -7.604 -17.680 -11.235 1.00 0.13 C ATOM 683 CG ARG A 43 -7.235 -19.146 -11.488 1.00 0.22 C ATOM 684 CD ARG A 43 -7.604 -19.510 -12.932 1.00 0.26 C ATOM 685 NE ARG A 43 -7.639 -20.993 -13.086 1.00 0.43 N ATOM 686 CZ ARG A 43 -8.286 -21.509 -14.097 1.00 0.81 C ATOM 687 NH1 ARG A 43 -8.582 -20.742 -15.111 1.00 0.56 N ATOM 688 NH2 ARG A 43 -8.618 -22.770 -14.065 1.00 1.88 N ATOM 0 H ARG A 43 -9.004 -16.168 -9.503 1.00 0.03 H new ATOM 0 HA ARG A 43 -6.715 -18.103 -9.307 1.00 0.09 H new ATOM 0 HB2 ARG A 43 -8.675 -17.537 -11.378 1.00 0.13 H new ATOM 0 HB3 ARG A 43 -7.098 -17.040 -11.957 1.00 0.13 H new ATOM 0 HG2 ARG A 43 -6.169 -19.300 -11.321 1.00 0.22 H new ATOM 0 HG3 ARG A 43 -7.764 -19.794 -10.789 1.00 0.22 H new ATOM 0 HD2 ARG A 43 -8.575 -19.086 -13.187 1.00 0.26 H new ATOM 0 HD3 ARG A 43 -6.878 -19.081 -13.622 1.00 0.26 H new ATOM 0 HE ARG A 43 -7.165 -21.595 -12.413 1.00 0.43 H new ATOM 0 HH11 ARG A 43 -8.309 -19.759 -15.104 1.00 0.56 H new ATOM 0 HH12 ARG A 43 -9.087 -21.125 -15.910 1.00 0.56 H new ATOM 0 HH21 ARG A 43 -8.372 -23.342 -13.257 1.00 1.88 H new ATOM 0 HH22 ARG A 43 -9.123 -23.184 -14.848 1.00 1.88 H new ATOM 702 N GLY A 44 -5.118 -16.228 -10.495 1.00 0.15 N ATOM 703 CA GLY A 44 -4.172 -15.076 -10.634 1.00 0.19 C ATOM 704 C GLY A 44 -2.745 -15.498 -10.239 1.00 0.27 C ATOM 705 O GLY A 44 -2.543 -16.378 -9.425 1.00 0.39 O ATOM 0 H GLY A 44 -4.776 -17.115 -10.865 1.00 0.15 H new ATOM 0 HA2 GLY A 44 -4.179 -14.714 -11.662 1.00 0.19 H new ATOM 0 HA3 GLY A 44 -4.501 -14.250 -10.003 1.00 0.19 H new ATOM 709 N ASP A 45 -1.799 -14.851 -10.847 1.00 0.19 N ATOM 710 CA ASP A 45 -0.354 -15.149 -10.571 1.00 0.26 C ATOM 711 C ASP A 45 0.090 -14.698 -9.177 1.00 0.29 C ATOM 712 O ASP A 45 -0.432 -13.755 -8.625 1.00 0.31 O ATOM 713 CB ASP A 45 0.496 -14.377 -11.596 1.00 0.24 C ATOM 714 CG ASP A 45 -0.420 -13.608 -12.552 1.00 2.46 C ATOM 715 OD1 ASP A 45 -1.210 -14.277 -13.199 1.00 3.69 O ATOM 716 OD2 ASP A 45 -0.279 -12.395 -12.578 1.00 3.54 O ATOM 0 H ASP A 45 -1.958 -14.115 -11.536 1.00 0.19 H new ATOM 0 HA ASP A 45 -0.223 -16.229 -10.637 1.00 0.26 H new ATOM 0 HB2 ASP A 45 1.164 -13.686 -11.082 1.00 0.24 H new ATOM 0 HB3 ASP A 45 1.124 -15.069 -12.157 1.00 0.24 H new ATOM 721 N TYR A 46 1.077 -15.376 -8.656 1.00 0.35 N ATOM 722 CA TYR A 46 1.593 -15.023 -7.303 1.00 0.38 C ATOM 723 C TYR A 46 2.995 -15.603 -7.117 1.00 0.41 C ATOM 724 O TYR A 46 3.218 -16.774 -7.349 1.00 1.83 O ATOM 725 CB TYR A 46 0.665 -15.629 -6.239 1.00 0.44 C ATOM 726 CG TYR A 46 1.104 -15.092 -4.877 1.00 0.55 C ATOM 727 CD1 TYR A 46 1.140 -13.727 -4.660 1.00 0.55 C ATOM 728 CD2 TYR A 46 1.636 -15.933 -3.910 1.00 0.69 C ATOM 729 CE1 TYR A 46 1.709 -13.218 -3.537 1.00 0.67 C ATOM 730 CE2 TYR A 46 2.215 -15.410 -2.781 1.00 0.81 C ATOM 731 CZ TYR A 46 2.252 -14.047 -2.578 1.00 0.79 C ATOM 732 OH TYR A 46 2.819 -13.525 -1.432 1.00 0.92 O ATOM 0 H TYR A 46 1.548 -16.159 -9.109 1.00 0.35 H new ATOM 0 HA TYR A 46 1.628 -13.938 -7.203 1.00 0.38 H new ATOM 0 HB2 TYR A 46 -0.372 -15.361 -6.439 1.00 0.44 H new ATOM 0 HB3 TYR A 46 0.722 -16.717 -6.257 1.00 0.44 H new ATOM 0 HD1 TYR A 46 0.711 -13.058 -5.392 1.00 0.55 H new ATOM 0 HD2 TYR A 46 1.594 -17.004 -4.046 1.00 0.69 H new ATOM 0 HE1 TYR A 46 1.737 -12.148 -3.393 1.00 0.67 H new ATOM 0 HE2 TYR A 46 2.646 -16.072 -2.045 1.00 0.81 H new ATOM 0 HH TYR A 46 3.150 -14.256 -0.869 1.00 0.92 H new ATOM 778 N LYS A 50 1.579 -19.138 -12.195 1.00 0.12 N ATOM 779 CA LYS A 50 0.682 -18.244 -12.960 1.00 0.19 C ATOM 780 C LYS A 50 -0.764 -18.716 -13.009 1.00 0.24 C ATOM 781 O LYS A 50 -1.121 -19.594 -13.767 1.00 0.29 O ATOM 782 CB LYS A 50 1.208 -18.108 -14.384 1.00 0.14 C ATOM 783 CG LYS A 50 0.974 -16.658 -14.818 1.00 0.21 C ATOM 784 CD LYS A 50 1.273 -16.505 -16.312 1.00 0.80 C ATOM 785 CE LYS A 50 0.050 -16.922 -17.135 1.00 1.65 C ATOM 786 NZ LYS A 50 0.482 -17.640 -18.368 1.00 3.30 N ATOM 0 HA LYS A 50 0.681 -17.287 -12.439 1.00 0.19 H new ATOM 0 HB2 LYS A 50 2.269 -18.356 -14.427 1.00 0.14 H new ATOM 0 HB3 LYS A 50 0.692 -18.797 -15.052 1.00 0.14 H new ATOM 0 HG2 LYS A 50 -0.057 -16.370 -14.614 1.00 0.21 H new ATOM 0 HG3 LYS A 50 1.612 -15.989 -14.240 1.00 0.21 H new ATOM 0 HD2 LYS A 50 1.537 -15.471 -16.535 1.00 0.80 H new ATOM 0 HD3 LYS A 50 2.132 -17.119 -16.584 1.00 0.80 H new ATOM 0 HE2 LYS A 50 -0.597 -17.565 -16.539 1.00 1.65 H new ATOM 0 HE3 LYS A 50 -0.535 -16.042 -17.403 1.00 1.65 H new ATOM 0 HZ1 LYS A 50 -0.355 -17.918 -18.919 1.00 3.30 H new ATOM 0 HZ2 LYS A 50 1.082 -17.014 -18.942 1.00 3.30 H new ATOM 0 HZ3 LYS A 50 1.021 -18.489 -18.104 1.00 3.30 H new ATOM 800 N GLN A 51 -1.549 -18.102 -12.164 1.00 0.28 N ATOM 801 CA GLN A 51 -3.006 -18.413 -12.060 1.00 0.32 C ATOM 802 C GLN A 51 -3.318 -19.676 -11.276 1.00 0.19 C ATOM 803 O GLN A 51 -3.778 -20.657 -11.826 1.00 0.34 O ATOM 804 CB GLN A 51 -3.631 -18.541 -13.460 1.00 0.45 C ATOM 805 CG GLN A 51 -3.109 -17.432 -14.376 1.00 0.58 C ATOM 806 CD GLN A 51 -4.205 -17.039 -15.376 1.00 0.96 C ATOM 807 OE1 GLN A 51 -3.963 -16.927 -16.559 1.00 0.79 O ATOM 808 NE2 GLN A 51 -5.419 -16.823 -14.943 1.00 1.78 N ATOM 0 H GLN A 51 -1.231 -17.376 -11.522 1.00 0.28 H new ATOM 0 HA GLN A 51 -3.437 -17.576 -11.511 1.00 0.32 H new ATOM 0 HB2 GLN A 51 -3.392 -19.516 -13.885 1.00 0.45 H new ATOM 0 HB3 GLN A 51 -4.717 -18.482 -13.388 1.00 0.45 H new ATOM 0 HG2 GLN A 51 -2.813 -16.566 -13.784 1.00 0.58 H new ATOM 0 HG3 GLN A 51 -2.221 -17.773 -14.908 1.00 0.58 H new ATOM 0 HE21 GLN A 51 -5.630 -16.915 -13.949 1.00 1.78 H new ATOM 0 HE22 GLN A 51 -6.155 -16.562 -15.599 1.00 1.78 H new ATOM 817 N LEU A 52 -3.067 -19.621 -9.999 1.00 0.10 N ATOM 818 CA LEU A 52 -3.345 -20.798 -9.143 1.00 0.14 C ATOM 819 C LEU A 52 -4.713 -20.580 -8.493 1.00 0.21 C ATOM 820 O LEU A 52 -5.629 -20.179 -9.185 1.00 0.50 O ATOM 821 CB LEU A 52 -2.228 -20.913 -8.078 1.00 0.25 C ATOM 822 CG LEU A 52 -0.849 -21.311 -8.699 1.00 0.17 C ATOM 823 CD1 LEU A 52 -0.143 -22.286 -7.753 1.00 0.57 C ATOM 824 CD2 LEU A 52 -0.963 -21.990 -10.071 1.00 0.13 C ATOM 0 H LEU A 52 -2.681 -18.811 -9.514 1.00 0.10 H new ATOM 0 HA LEU A 52 -3.361 -21.724 -9.718 1.00 0.14 H new ATOM 0 HB2 LEU A 52 -2.127 -19.961 -7.557 1.00 0.25 H new ATOM 0 HB3 LEU A 52 -2.515 -21.655 -7.333 1.00 0.25 H new ATOM 0 HG LEU A 52 -0.293 -20.384 -8.835 1.00 0.17 H new ATOM 0 HD11 LEU A 52 0.820 -22.570 -8.176 1.00 0.57 H new ATOM 0 HD12 LEU A 52 0.013 -21.807 -6.786 1.00 0.57 H new ATOM 0 HD13 LEU A 52 -0.759 -23.176 -7.622 1.00 0.57 H new ATOM 0 HD21 LEU A 52 0.033 -22.237 -10.439 1.00 0.13 H new ATOM 0 HD22 LEU A 52 -1.552 -22.902 -9.978 1.00 0.13 H new ATOM 0 HD23 LEU A 52 -1.451 -21.313 -10.772 1.00 0.13 H new ATOM 836 N TRP A 53 -4.865 -20.839 -7.212 1.00 0.10 N ATOM 837 CA TRP A 53 -6.219 -20.615 -6.609 1.00 0.08 C ATOM 838 C TRP A 53 -6.205 -20.003 -5.214 1.00 0.08 C ATOM 839 O TRP A 53 -5.317 -20.253 -4.429 1.00 0.09 O ATOM 840 CB TRP A 53 -6.920 -21.963 -6.479 1.00 0.17 C ATOM 841 CG TRP A 53 -7.404 -22.387 -7.858 1.00 0.29 C ATOM 842 CD1 TRP A 53 -6.851 -23.371 -8.559 1.00 0.46 C ATOM 843 CD2 TRP A 53 -8.367 -21.797 -8.568 1.00 0.28 C ATOM 844 NE1 TRP A 53 -7.513 -23.354 -9.716 1.00 0.52 N ATOM 845 CE2 TRP A 53 -8.476 -22.402 -9.810 1.00 0.39 C ATOM 846 CE3 TRP A 53 -9.170 -20.713 -8.261 1.00 0.24 C ATOM 847 CZ2 TRP A 53 -9.380 -21.921 -10.735 1.00 0.39 C ATOM 848 CZ3 TRP A 53 -10.067 -20.233 -9.196 1.00 0.24 C ATOM 849 CH2 TRP A 53 -10.170 -20.842 -10.431 1.00 0.29 C ATOM 0 H TRP A 53 -4.141 -21.182 -6.581 1.00 0.10 H new ATOM 0 HA TRP A 53 -6.722 -19.913 -7.274 1.00 0.08 H new ATOM 0 HB2 TRP A 53 -6.237 -22.708 -6.071 1.00 0.17 H new ATOM 0 HB3 TRP A 53 -7.760 -21.889 -5.788 1.00 0.17 H new ATOM 0 HD1 TRP A 53 -6.050 -24.032 -8.261 1.00 0.46 H new ATOM 0 HE1 TRP A 53 -7.311 -24.007 -10.473 1.00 0.52 H new ATOM 0 HE3 TRP A 53 -9.096 -20.243 -7.292 1.00 0.24 H new ATOM 0 HZ2 TRP A 53 -9.466 -22.396 -11.701 1.00 0.39 H new ATOM 0 HZ3 TRP A 53 -10.688 -19.381 -8.961 1.00 0.24 H new ATOM 0 HH2 TRP A 53 -10.874 -20.468 -11.159 1.00 0.29 H new ATOM 860 N PHE A 54 -7.174 -19.155 -4.958 1.00 0.11 N ATOM 861 CA PHE A 54 -7.256 -18.514 -3.615 1.00 0.17 C ATOM 862 C PHE A 54 -8.751 -18.391 -3.204 1.00 0.18 C ATOM 863 O PHE A 54 -9.549 -17.875 -3.949 1.00 0.18 O ATOM 864 CB PHE A 54 -6.647 -17.089 -3.592 1.00 0.20 C ATOM 865 CG PHE A 54 -6.001 -16.699 -4.899 1.00 0.17 C ATOM 866 CD1 PHE A 54 -4.958 -17.427 -5.408 1.00 0.10 C ATOM 867 CD2 PHE A 54 -6.490 -15.623 -5.608 1.00 0.23 C ATOM 868 CE1 PHE A 54 -4.421 -17.103 -6.620 1.00 0.13 C ATOM 869 CE2 PHE A 54 -5.961 -15.292 -6.808 1.00 0.23 C ATOM 870 CZ PHE A 54 -4.916 -16.040 -7.327 1.00 0.19 C ATOM 0 H PHE A 54 -7.903 -18.884 -5.617 1.00 0.11 H new ATOM 0 HA PHE A 54 -6.689 -19.142 -2.928 1.00 0.17 H new ATOM 0 HB2 PHE A 54 -7.430 -16.370 -3.352 1.00 0.20 H new ATOM 0 HB3 PHE A 54 -5.905 -17.030 -2.795 1.00 0.20 H new ATOM 0 HD1 PHE A 54 -4.559 -18.260 -4.848 1.00 0.10 H new ATOM 0 HD2 PHE A 54 -7.303 -15.039 -5.202 1.00 0.23 H new ATOM 0 HE1 PHE A 54 -3.605 -17.685 -7.022 1.00 0.13 H new ATOM 0 HE2 PHE A 54 -6.351 -14.449 -7.359 1.00 0.23 H new ATOM 0 HZ PHE A 54 -4.493 -15.785 -8.287 1.00 0.19 H new ATOM 880 N PRO A 55 -9.111 -18.860 -2.029 1.00 0.20 N ATOM 881 CA PRO A 55 -10.511 -18.791 -1.545 1.00 0.22 C ATOM 882 C PRO A 55 -11.125 -17.399 -1.550 1.00 0.25 C ATOM 883 O PRO A 55 -10.458 -16.410 -1.338 1.00 0.34 O ATOM 884 CB PRO A 55 -10.419 -19.209 -0.088 1.00 0.19 C ATOM 885 CG PRO A 55 -9.017 -19.852 0.124 1.00 0.20 C ATOM 886 CD PRO A 55 -8.174 -19.472 -1.072 1.00 0.23 C ATOM 0 HA PRO A 55 -11.133 -19.405 -2.197 1.00 0.22 H new ATOM 0 HB2 PRO A 55 -10.549 -18.348 0.567 1.00 0.19 H new ATOM 0 HB3 PRO A 55 -11.208 -19.919 0.158 1.00 0.19 H new ATOM 0 HG2 PRO A 55 -8.563 -19.492 1.047 1.00 0.20 H new ATOM 0 HG3 PRO A 55 -9.098 -20.936 0.211 1.00 0.20 H new ATOM 0 HD2 PRO A 55 -7.386 -18.773 -0.792 1.00 0.23 H new ATOM 0 HD3 PRO A 55 -7.686 -20.346 -1.503 1.00 0.23 H new ATOM 894 N SER A 56 -12.412 -17.375 -1.774 1.00 0.23 N ATOM 895 CA SER A 56 -13.144 -16.091 -1.792 1.00 0.25 C ATOM 896 C SER A 56 -13.519 -15.879 -0.342 1.00 0.20 C ATOM 897 O SER A 56 -14.217 -14.957 0.032 1.00 0.25 O ATOM 898 CB SER A 56 -14.425 -16.237 -2.630 1.00 0.27 C ATOM 899 OG SER A 56 -15.123 -17.309 -2.011 1.00 0.20 O ATOM 0 H SER A 56 -12.985 -18.201 -1.946 1.00 0.23 H new ATOM 0 HA SER A 56 -12.562 -15.272 -2.215 1.00 0.25 H new ATOM 0 HB2 SER A 56 -15.014 -15.320 -2.621 1.00 0.27 H new ATOM 0 HB3 SER A 56 -14.196 -16.459 -3.672 1.00 0.27 H new ATOM 0 HG SER A 56 -16.086 -17.126 -2.029 1.00 0.20 H new ATOM 905 N ASN A 57 -12.990 -16.792 0.441 1.00 0.14 N ATOM 906 CA ASN A 57 -13.210 -16.802 1.884 1.00 0.13 C ATOM 907 C ASN A 57 -11.961 -16.247 2.513 1.00 0.24 C ATOM 908 O ASN A 57 -11.955 -15.824 3.652 1.00 0.41 O ATOM 909 CB ASN A 57 -13.369 -18.273 2.325 1.00 0.06 C ATOM 910 CG ASN A 57 -14.850 -18.575 2.559 1.00 0.21 C ATOM 911 OD1 ASN A 57 -15.569 -18.944 1.652 1.00 0.77 O ATOM 912 ND2 ASN A 57 -15.345 -18.435 3.756 1.00 0.48 N ATOM 0 H ASN A 57 -12.396 -17.550 0.104 1.00 0.14 H new ATOM 0 HA ASN A 57 -14.089 -16.224 2.169 1.00 0.13 H new ATOM 0 HB2 ASN A 57 -12.967 -18.939 1.561 1.00 0.06 H new ATOM 0 HB3 ASN A 57 -12.801 -18.454 3.237 1.00 0.06 H new ATOM 0 HD21 ASN A 57 -16.331 -18.635 3.927 1.00 0.48 H new ATOM 0 HD22 ASN A 57 -14.747 -18.126 4.522 1.00 0.48 H new ATOM 919 N TYR A 58 -10.916 -16.268 1.722 1.00 0.20 N ATOM 920 CA TYR A 58 -9.620 -15.755 2.212 1.00 0.27 C ATOM 921 C TYR A 58 -9.238 -14.424 1.547 1.00 0.38 C ATOM 922 O TYR A 58 -8.649 -13.570 2.178 1.00 1.02 O ATOM 923 CB TYR A 58 -8.501 -16.769 1.883 1.00 0.24 C ATOM 924 CG TYR A 58 -8.395 -17.878 2.960 1.00 0.13 C ATOM 925 CD1 TYR A 58 -9.418 -18.813 3.170 1.00 0.13 C ATOM 926 CD2 TYR A 58 -7.261 -17.946 3.760 1.00 0.14 C ATOM 927 CE1 TYR A 58 -9.298 -19.760 4.171 1.00 0.20 C ATOM 928 CE2 TYR A 58 -7.157 -18.899 4.753 1.00 0.26 C ATOM 929 CZ TYR A 58 -8.169 -19.809 4.966 1.00 0.30 C ATOM 930 OH TYR A 58 -8.057 -20.754 5.965 1.00 0.44 O ATOM 0 H TYR A 58 -10.914 -16.618 0.764 1.00 0.20 H new ATOM 0 HA TYR A 58 -9.725 -15.605 3.286 1.00 0.27 H new ATOM 0 HB2 TYR A 58 -8.696 -17.223 0.912 1.00 0.24 H new ATOM 0 HB3 TYR A 58 -7.548 -16.246 1.805 1.00 0.24 H new ATOM 0 HD1 TYR A 58 -10.301 -18.794 2.549 1.00 0.13 H new ATOM 0 HD2 TYR A 58 -6.453 -17.246 3.603 1.00 0.14 H new ATOM 0 HE1 TYR A 58 -10.096 -20.469 4.333 1.00 0.20 H new ATOM 0 HE2 TYR A 58 -6.272 -18.932 5.370 1.00 0.26 H new ATOM 0 HH TYR A 58 -7.198 -20.644 6.424 1.00 0.44 H new ATOM 940 N VAL A 59 -9.585 -14.273 0.288 1.00 0.27 N ATOM 941 CA VAL A 59 -9.242 -13.009 -0.433 1.00 0.18 C ATOM 942 C VAL A 59 -10.469 -12.185 -0.841 1.00 0.50 C ATOM 943 O VAL A 59 -11.581 -12.668 -0.829 1.00 1.04 O ATOM 944 CB VAL A 59 -8.529 -13.434 -1.711 1.00 0.49 C ATOM 945 CG1 VAL A 59 -7.640 -14.631 -1.381 1.00 0.54 C ATOM 946 CG2 VAL A 59 -9.571 -13.829 -2.781 1.00 0.68 C ATOM 0 H VAL A 59 -10.087 -14.967 -0.266 1.00 0.27 H new ATOM 0 HA VAL A 59 -8.644 -12.384 0.230 1.00 0.18 H new ATOM 0 HB VAL A 59 -7.925 -12.614 -2.101 1.00 0.49 H new ATOM 0 HG11 VAL A 59 -7.117 -14.955 -2.281 1.00 0.54 H new ATOM 0 HG12 VAL A 59 -6.912 -14.345 -0.622 1.00 0.54 H new ATOM 0 HG13 VAL A 59 -8.255 -15.448 -1.004 1.00 0.54 H new ATOM 0 HG21 VAL A 59 -9.058 -14.132 -3.694 1.00 0.68 H new ATOM 0 HG22 VAL A 59 -10.175 -14.658 -2.412 1.00 0.68 H new ATOM 0 HG23 VAL A 59 -10.216 -12.976 -2.993 1.00 0.68 H new ATOM 956 N GLU A 60 -10.215 -10.951 -1.218 1.00 0.27 N ATOM 957 CA GLU A 60 -11.319 -10.041 -1.646 1.00 0.59 C ATOM 958 C GLU A 60 -10.749 -8.874 -2.460 1.00 0.49 C ATOM 959 O GLU A 60 -9.820 -8.217 -2.037 1.00 0.43 O ATOM 960 CB GLU A 60 -12.029 -9.489 -0.403 1.00 0.92 C ATOM 961 CG GLU A 60 -13.389 -10.179 -0.251 1.00 1.30 C ATOM 962 CD GLU A 60 -14.142 -9.556 0.924 1.00 1.53 C ATOM 963 OE1 GLU A 60 -13.524 -8.740 1.589 1.00 1.45 O ATOM 964 OE2 GLU A 60 -15.292 -9.927 1.087 1.00 2.01 O ATOM 0 H GLU A 60 -9.283 -10.537 -1.246 1.00 0.27 H new ATOM 0 HA GLU A 60 -12.025 -10.598 -2.262 1.00 0.59 H new ATOM 0 HB2 GLU A 60 -11.420 -9.660 0.484 1.00 0.92 H new ATOM 0 HB3 GLU A 60 -12.163 -8.411 -0.495 1.00 0.92 H new ATOM 0 HG2 GLU A 60 -13.969 -10.072 -1.168 1.00 1.30 H new ATOM 0 HG3 GLU A 60 -13.251 -11.247 -0.084 1.00 1.30 H new