USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=7 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 -2:sc= 0.948 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.0398 X(o=-0.04,f=-0.26) USER MOD Single : A 24 THR OG1 : rot -64:sc= 0.477 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -41:sc= 0.387 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= -1.67! K(o=-1.7!,f=-0.11) 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+ -162:sc= -0.0388 (180deg=-0.472) USER MOD Single : A 51 GLN : amide:sc= -0.611 K(o=-0.61,f=-2.9!) USER MOD Single : A 56 SER OG : rot 150:sc= -0.421 USER MOD Single : A 57 ASN : amide:sc= -0.0521 X(o=-0.052,f=-0.39) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 102 N ALA A 8 -6.813 -6.755 -9.045 1.00 0.18 N ATOM 103 CA ALA A 8 -5.966 -7.472 -8.047 1.00 0.22 C ATOM 104 C ALA A 8 -6.709 -7.623 -6.715 1.00 0.26 C ATOM 105 O ALA A 8 -7.885 -7.332 -6.624 1.00 0.47 O ATOM 106 CB ALA A 8 -4.699 -6.639 -7.809 1.00 0.19 C ATOM 0 HA ALA A 8 -5.723 -8.464 -8.428 1.00 0.22 H new ATOM 0 HB1 ALA A 8 -4.063 -7.144 -7.082 1.00 0.19 H new ATOM 0 HB2 ALA A 8 -4.157 -6.525 -8.748 1.00 0.19 H new ATOM 0 HB3 ALA A 8 -4.976 -5.656 -7.428 1.00 0.19 H new ATOM 112 N VAL A 9 -6.007 -8.081 -5.708 1.00 0.15 N ATOM 113 CA VAL A 9 -6.646 -8.260 -4.373 1.00 0.16 C ATOM 114 C VAL A 9 -5.630 -8.048 -3.260 1.00 0.12 C ATOM 115 O VAL A 9 -4.534 -7.580 -3.479 1.00 0.18 O ATOM 116 CB VAL A 9 -7.124 -9.718 -4.224 1.00 0.28 C ATOM 117 CG1 VAL A 9 -8.549 -9.731 -3.686 1.00 1.95 C ATOM 118 CG2 VAL A 9 -7.080 -10.452 -5.559 1.00 2.15 C ATOM 0 H VAL A 9 -5.021 -8.338 -5.755 1.00 0.15 H new ATOM 0 HA VAL A 9 -7.465 -7.545 -4.303 1.00 0.16 H new ATOM 0 HB VAL A 9 -6.456 -10.228 -3.530 1.00 0.28 H new ATOM 0 HG11 VAL A 9 -8.889 -10.761 -3.580 1.00 1.95 H new ATOM 0 HG12 VAL A 9 -8.575 -9.238 -2.714 1.00 1.95 H new ATOM 0 HG13 VAL A 9 -9.204 -9.202 -4.378 1.00 1.95 H new ATOM 0 HG21 VAL A 9 -7.423 -11.478 -5.422 1.00 2.15 H new ATOM 0 HG22 VAL A 9 -7.728 -9.945 -6.274 1.00 2.15 H new ATOM 0 HG23 VAL A 9 -6.058 -10.459 -5.937 1.00 2.15 H new ATOM 128 N LYS A 10 -6.044 -8.400 -2.081 1.00 0.19 N ATOM 129 CA LYS A 10 -5.168 -8.265 -0.892 1.00 0.15 C ATOM 130 C LYS A 10 -5.591 -9.312 0.142 1.00 0.17 C ATOM 131 O LYS A 10 -6.357 -9.024 1.040 1.00 0.17 O ATOM 132 CB LYS A 10 -5.336 -6.876 -0.282 1.00 0.18 C ATOM 133 CG LYS A 10 -4.251 -6.675 0.773 1.00 0.30 C ATOM 134 CD LYS A 10 -4.480 -5.346 1.500 1.00 0.26 C ATOM 135 CE LYS A 10 -3.183 -4.529 1.498 1.00 0.24 C ATOM 136 NZ LYS A 10 -2.934 -3.950 0.149 1.00 2.40 N ATOM 0 H LYS A 10 -6.970 -8.783 -1.888 1.00 0.19 H new ATOM 0 HA LYS A 10 -4.127 -8.409 -1.183 1.00 0.15 H new ATOM 0 HB2 LYS A 10 -5.259 -6.111 -1.055 1.00 0.18 H new ATOM 0 HB3 LYS A 10 -6.324 -6.777 0.167 1.00 0.18 H new ATOM 0 HG2 LYS A 10 -4.267 -7.499 1.487 1.00 0.30 H new ATOM 0 HG3 LYS A 10 -3.268 -6.679 0.303 1.00 0.30 H new ATOM 0 HD2 LYS A 10 -5.276 -4.785 1.011 1.00 0.26 H new ATOM 0 HD3 LYS A 10 -4.804 -5.531 2.524 1.00 0.26 H new ATOM 0 HE2 LYS A 10 -3.248 -3.730 2.237 1.00 0.24 H new ATOM 0 HE3 LYS A 10 -2.346 -5.164 1.788 1.00 0.24 H new ATOM 0 HZ1 LYS A 10 -2.052 -3.400 0.165 1.00 2.40 H new ATOM 0 HZ2 LYS A 10 -2.851 -4.717 -0.548 1.00 2.40 H new ATOM 0 HZ3 LYS A 10 -3.725 -3.328 -0.113 1.00 2.40 H new ATOM 150 N ALA A 11 -5.092 -10.508 -0.017 1.00 0.18 N ATOM 151 CA ALA A 11 -5.442 -11.604 0.935 1.00 0.21 C ATOM 152 C ALA A 11 -5.554 -11.116 2.377 1.00 0.17 C ATOM 153 O ALA A 11 -4.587 -10.684 2.967 1.00 0.20 O ATOM 154 CB ALA A 11 -4.334 -12.655 0.859 1.00 0.27 C ATOM 0 H ALA A 11 -4.455 -10.775 -0.767 1.00 0.18 H new ATOM 0 HA ALA A 11 -6.415 -12.006 0.652 1.00 0.21 H new ATOM 0 HB1 ALA A 11 -4.560 -13.472 1.544 1.00 0.27 H new ATOM 0 HB2 ALA A 11 -4.269 -13.042 -0.158 1.00 0.27 H new ATOM 0 HB3 ALA A 11 -3.382 -12.201 1.136 1.00 0.27 H new ATOM 160 N LEU A 12 -6.744 -11.183 2.916 1.00 0.14 N ATOM 161 CA LEU A 12 -6.928 -10.728 4.317 1.00 0.05 C ATOM 162 C LEU A 12 -6.478 -11.844 5.248 1.00 0.19 C ATOM 163 O LEU A 12 -6.069 -11.606 6.365 1.00 0.27 O ATOM 164 CB LEU A 12 -8.422 -10.430 4.598 1.00 0.18 C ATOM 165 CG LEU A 12 -9.103 -9.798 3.369 1.00 0.13 C ATOM 166 CD1 LEU A 12 -10.618 -9.772 3.599 1.00 0.24 C ATOM 167 CD2 LEU A 12 -8.608 -8.359 3.187 1.00 0.11 C ATOM 0 H LEU A 12 -7.583 -11.529 2.450 1.00 0.14 H new ATOM 0 HA LEU A 12 -6.345 -9.821 4.478 1.00 0.05 H new ATOM 0 HB2 LEU A 12 -8.936 -11.353 4.867 1.00 0.18 H new ATOM 0 HB3 LEU A 12 -8.507 -9.757 5.451 1.00 0.18 H new ATOM 0 HG LEU A 12 -8.864 -10.383 2.481 1.00 0.13 H new ATOM 0 HD11 LEU A 12 -11.110 -9.326 2.734 1.00 0.24 H new ATOM 0 HD12 LEU A 12 -10.982 -10.790 3.739 1.00 0.24 H new ATOM 0 HD13 LEU A 12 -10.841 -9.181 4.488 1.00 0.24 H new ATOM 0 HD21 LEU A 12 -9.092 -7.915 2.317 1.00 0.11 H new ATOM 0 HD22 LEU A 12 -8.852 -7.775 4.075 1.00 0.11 H new ATOM 0 HD23 LEU A 12 -7.528 -8.362 3.040 1.00 0.11 H new ATOM 179 N PHE A 13 -6.579 -13.055 4.759 1.00 0.32 N ATOM 180 CA PHE A 13 -6.168 -14.230 5.582 1.00 0.48 C ATOM 181 C PHE A 13 -4.811 -14.751 5.102 1.00 0.32 C ATOM 182 O PHE A 13 -4.230 -14.206 4.184 1.00 0.27 O ATOM 183 CB PHE A 13 -7.206 -15.354 5.391 1.00 0.77 C ATOM 184 CG PHE A 13 -8.604 -14.987 5.941 1.00 0.71 C ATOM 185 CD1 PHE A 13 -8.890 -13.750 6.518 1.00 0.83 C ATOM 186 CD2 PHE A 13 -9.634 -15.907 5.819 1.00 0.86 C ATOM 187 CE1 PHE A 13 -10.163 -13.452 6.943 1.00 0.93 C ATOM 188 CE2 PHE A 13 -10.907 -15.603 6.252 1.00 1.13 C ATOM 189 CZ PHE A 13 -11.171 -14.376 6.813 1.00 1.11 C ATOM 0 H PHE A 13 -6.928 -13.279 3.827 1.00 0.32 H new ATOM 0 HA PHE A 13 -6.102 -13.932 6.628 1.00 0.48 H new ATOM 0 HB2 PHE A 13 -7.289 -15.587 4.330 1.00 0.77 H new ATOM 0 HB3 PHE A 13 -6.851 -16.257 5.889 1.00 0.77 H new ATOM 0 HD1 PHE A 13 -8.103 -13.019 6.632 1.00 0.83 H new ATOM 0 HD2 PHE A 13 -9.437 -16.874 5.379 1.00 0.86 H new ATOM 0 HE1 PHE A 13 -10.371 -12.487 7.381 1.00 0.93 H new ATOM 0 HE2 PHE A 13 -11.699 -16.330 6.150 1.00 1.13 H new ATOM 0 HZ PHE A 13 -12.169 -14.139 7.151 1.00 1.11 H new ATOM 199 N ASP A 14 -4.336 -15.797 5.736 1.00 0.27 N ATOM 200 CA ASP A 14 -3.017 -16.375 5.337 1.00 0.22 C ATOM 201 C ASP A 14 -3.174 -17.812 4.851 1.00 0.18 C ATOM 202 O ASP A 14 -3.894 -18.594 5.440 1.00 0.34 O ATOM 203 CB ASP A 14 -2.088 -16.379 6.556 1.00 0.34 C ATOM 204 CG ASP A 14 -2.892 -16.742 7.805 1.00 0.28 C ATOM 205 OD1 ASP A 14 -3.747 -15.944 8.149 1.00 0.81 O ATOM 206 OD2 ASP A 14 -2.600 -17.795 8.347 1.00 0.61 O ATOM 0 H ASP A 14 -4.803 -16.272 6.508 1.00 0.27 H new ATOM 0 HA ASP A 14 -2.605 -15.769 4.530 1.00 0.22 H new ATOM 0 HB2 ASP A 14 -1.280 -17.096 6.409 1.00 0.34 H new ATOM 0 HB3 ASP A 14 -1.627 -15.399 6.679 1.00 0.34 H new ATOM 211 N TYR A 15 -2.482 -18.128 3.790 1.00 0.25 N ATOM 212 CA TYR A 15 -2.558 -19.502 3.226 1.00 0.25 C ATOM 213 C TYR A 15 -1.219 -20.224 3.388 1.00 0.35 C ATOM 214 O TYR A 15 -0.237 -19.630 3.788 1.00 0.40 O ATOM 215 CB TYR A 15 -2.866 -19.368 1.735 1.00 0.22 C ATOM 216 CG TYR A 15 -3.584 -20.617 1.233 1.00 0.22 C ATOM 217 CD1 TYR A 15 -2.867 -21.739 0.906 1.00 0.24 C ATOM 218 CD2 TYR A 15 -4.955 -20.647 1.134 1.00 0.26 C ATOM 219 CE1 TYR A 15 -3.494 -22.884 0.502 1.00 0.27 C ATOM 220 CE2 TYR A 15 -5.603 -21.797 0.719 1.00 0.29 C ATOM 221 CZ TYR A 15 -4.871 -22.932 0.401 1.00 0.29 C ATOM 222 OH TYR A 15 -5.507 -24.089 0.000 1.00 0.35 O ATOM 0 H TYR A 15 -1.865 -17.489 3.289 1.00 0.25 H new ATOM 0 HA TYR A 15 -3.326 -20.074 3.746 1.00 0.25 H new ATOM 0 HB2 TYR A 15 -3.486 -18.488 1.562 1.00 0.22 H new ATOM 0 HB3 TYR A 15 -1.941 -19.222 1.177 1.00 0.22 H new ATOM 0 HD1 TYR A 15 -1.789 -21.718 0.969 1.00 0.24 H new ATOM 0 HD2 TYR A 15 -5.530 -19.767 1.382 1.00 0.26 H new ATOM 0 HE1 TYR A 15 -2.908 -23.758 0.260 1.00 0.27 H new ATOM 0 HE2 TYR A 15 -6.680 -21.811 0.642 1.00 0.29 H new ATOM 0 HH TYR A 15 -4.839 -24.777 -0.202 1.00 0.35 H new ATOM 232 N LYS A 16 -1.204 -21.488 3.071 1.00 0.41 N ATOM 233 CA LYS A 16 0.062 -22.261 3.200 1.00 0.50 C ATOM 234 C LYS A 16 0.144 -23.443 2.230 1.00 0.48 C ATOM 235 O LYS A 16 0.306 -24.574 2.642 1.00 0.59 O ATOM 236 CB LYS A 16 0.152 -22.796 4.629 1.00 0.61 C ATOM 237 CG LYS A 16 1.621 -23.024 4.981 1.00 0.69 C ATOM 238 CD LYS A 16 1.706 -24.096 6.070 1.00 0.58 C ATOM 239 CE LYS A 16 3.127 -24.147 6.639 1.00 0.88 C ATOM 240 NZ LYS A 16 4.020 -24.942 5.752 1.00 2.91 N ATOM 0 H LYS A 16 -2.007 -22.016 2.731 1.00 0.41 H new ATOM 0 HA LYS A 16 0.885 -21.588 2.960 1.00 0.50 H new ATOM 0 HB2 LYS A 16 -0.297 -22.088 5.325 1.00 0.61 H new ATOM 0 HB3 LYS A 16 -0.406 -23.728 4.718 1.00 0.61 H new ATOM 0 HG2 LYS A 16 2.176 -23.339 4.097 1.00 0.69 H new ATOM 0 HG3 LYS A 16 2.074 -22.096 5.329 1.00 0.69 H new ATOM 0 HD2 LYS A 16 0.994 -23.876 6.865 1.00 0.58 H new ATOM 0 HD3 LYS A 16 1.434 -25.068 5.658 1.00 0.58 H new ATOM 0 HE2 LYS A 16 3.518 -23.135 6.745 1.00 0.88 H new ATOM 0 HE3 LYS A 16 3.110 -24.588 7.636 1.00 0.88 H new ATOM 0 HZ1 LYS A 16 4.979 -24.965 6.155 1.00 2.91 H new ATOM 0 HZ2 LYS A 16 3.655 -25.913 5.672 1.00 2.91 H new ATOM 0 HZ3 LYS A 16 4.051 -24.505 4.809 1.00 2.91 H new ATOM 254 N ALA A 17 0.033 -23.158 0.964 1.00 0.36 N ATOM 255 CA ALA A 17 0.109 -24.254 -0.040 1.00 0.38 C ATOM 256 C ALA A 17 1.484 -24.251 -0.635 1.00 0.39 C ATOM 257 O ALA A 17 2.193 -25.237 -0.638 1.00 0.61 O ATOM 258 CB ALA A 17 -0.809 -23.969 -1.224 1.00 0.42 C ATOM 0 H ALA A 17 -0.106 -22.222 0.583 1.00 0.36 H new ATOM 0 HA ALA A 17 -0.157 -25.184 0.462 1.00 0.38 H new ATOM 0 HB1 ALA A 17 -0.737 -24.783 -1.945 1.00 0.42 H new ATOM 0 HB2 ALA A 17 -1.838 -23.884 -0.874 1.00 0.42 H new ATOM 0 HB3 ALA A 17 -0.509 -23.035 -1.700 1.00 0.42 H new ATOM 264 N GLN A 18 1.784 -23.093 -1.146 1.00 0.31 N ATOM 265 CA GLN A 18 3.096 -22.844 -1.799 1.00 0.38 C ATOM 266 C GLN A 18 3.017 -23.317 -3.236 1.00 0.38 C ATOM 267 O GLN A 18 3.541 -22.695 -4.137 1.00 0.50 O ATOM 268 CB GLN A 18 4.187 -23.636 -1.070 1.00 0.40 C ATOM 269 CG GLN A 18 5.561 -22.983 -1.275 1.00 0.33 C ATOM 270 CD GLN A 18 6.548 -24.057 -1.736 1.00 1.68 C ATOM 271 OE1 GLN A 18 6.555 -25.164 -1.235 1.00 3.24 O ATOM 272 NE2 GLN A 18 7.390 -23.776 -2.692 1.00 2.79 N ATOM 0 H GLN A 18 1.158 -22.288 -1.138 1.00 0.31 H new ATOM 0 HA GLN A 18 3.334 -21.781 -1.763 1.00 0.38 H new ATOM 0 HB2 GLN A 18 3.958 -23.685 -0.006 1.00 0.40 H new ATOM 0 HB3 GLN A 18 4.207 -24.661 -1.440 1.00 0.40 H new ATOM 0 HG2 GLN A 18 5.495 -22.187 -2.017 1.00 0.33 H new ATOM 0 HG3 GLN A 18 5.905 -22.526 -0.347 1.00 0.33 H new ATOM 0 HE21 GLN A 18 7.389 -22.848 -3.116 1.00 2.79 H new ATOM 0 HE22 GLN A 18 8.050 -24.484 -3.015 1.00 2.79 H new ATOM 281 N ARG A 19 2.333 -24.413 -3.412 1.00 0.36 N ATOM 282 CA ARG A 19 2.177 -24.981 -4.773 1.00 0.56 C ATOM 283 C ARG A 19 1.243 -26.182 -4.735 1.00 0.69 C ATOM 284 O ARG A 19 1.692 -27.307 -4.681 1.00 0.85 O ATOM 285 CB ARG A 19 3.554 -25.443 -5.287 1.00 0.64 C ATOM 286 CG ARG A 19 3.484 -25.738 -6.803 1.00 0.67 C ATOM 287 CD ARG A 19 2.878 -27.131 -7.064 1.00 3.23 C ATOM 288 NE ARG A 19 3.264 -27.587 -8.426 1.00 4.05 N ATOM 289 CZ ARG A 19 3.356 -28.867 -8.662 1.00 4.29 C ATOM 290 NH1 ARG A 19 4.192 -29.574 -7.955 1.00 4.57 N ATOM 291 NH2 ARG A 19 2.604 -29.396 -9.588 1.00 4.28 N ATOM 0 H ARG A 19 1.875 -24.939 -2.667 1.00 0.36 H new ATOM 0 HA ARG A 19 1.761 -24.218 -5.431 1.00 0.56 H new ATOM 0 HB2 ARG A 19 4.300 -24.673 -5.093 1.00 0.64 H new ATOM 0 HB3 ARG A 19 3.870 -26.337 -4.749 1.00 0.64 H new ATOM 0 HG2 ARG A 19 2.882 -24.976 -7.299 1.00 0.67 H new ATOM 0 HG3 ARG A 19 4.484 -25.685 -7.235 1.00 0.67 H new ATOM 0 HD2 ARG A 19 3.233 -27.840 -6.316 1.00 3.23 H new ATOM 0 HD3 ARG A 19 1.792 -27.090 -6.976 1.00 3.23 H new ATOM 0 HE ARG A 19 3.454 -26.909 -9.164 1.00 4.05 H new ATOM 0 HH11 ARG A 19 4.758 -29.125 -7.235 1.00 4.57 H new ATOM 0 HH12 ARG A 19 4.281 -30.576 -8.122 1.00 4.57 H new ATOM 0 HH21 ARG A 19 1.956 -28.810 -10.115 1.00 4.28 H new ATOM 0 HH22 ARG A 19 2.664 -30.395 -9.785 1.00 4.28 H new ATOM 305 N GLU A 20 -0.038 -25.928 -4.746 1.00 0.69 N ATOM 306 CA GLU A 20 -0.997 -27.080 -4.716 1.00 0.90 C ATOM 307 C GLU A 20 -2.206 -26.733 -5.545 1.00 0.79 C ATOM 308 O GLU A 20 -3.226 -27.381 -5.470 1.00 0.79 O ATOM 309 CB GLU A 20 -1.434 -27.353 -3.265 1.00 0.93 C ATOM 310 CG GLU A 20 -2.723 -26.584 -2.925 1.00 0.73 C ATOM 311 CD GLU A 20 -2.964 -26.671 -1.415 1.00 2.06 C ATOM 312 OE1 GLU A 20 -2.158 -27.327 -0.776 1.00 2.53 O ATOM 313 OE2 GLU A 20 -3.934 -26.071 -0.989 1.00 3.00 O ATOM 0 H GLU A 20 -0.458 -24.999 -4.774 1.00 0.69 H new ATOM 0 HA GLU A 20 -0.513 -27.970 -5.119 1.00 0.90 H new ATOM 0 HB2 GLU A 20 -1.596 -28.422 -3.125 1.00 0.93 H new ATOM 0 HB3 GLU A 20 -0.639 -27.059 -2.580 1.00 0.93 H new ATOM 0 HG2 GLU A 20 -2.634 -25.542 -3.234 1.00 0.73 H new ATOM 0 HG3 GLU A 20 -3.569 -27.006 -3.467 1.00 0.73 H new ATOM 320 N ASP A 21 -1.992 -25.754 -6.369 1.00 0.80 N ATOM 321 CA ASP A 21 -3.029 -25.221 -7.279 1.00 0.50 C ATOM 322 C ASP A 21 -3.499 -23.994 -6.523 1.00 0.42 C ATOM 323 O ASP A 21 -4.204 -23.149 -7.009 1.00 1.61 O ATOM 324 CB ASP A 21 -4.187 -26.218 -7.533 1.00 0.67 C ATOM 325 CG ASP A 21 -3.615 -27.574 -7.959 1.00 0.74 C ATOM 326 OD1 ASP A 21 -2.596 -27.546 -8.628 1.00 0.81 O ATOM 327 OD2 ASP A 21 -4.235 -28.561 -7.598 1.00 0.97 O ATOM 0 H ASP A 21 -1.093 -25.280 -6.450 1.00 0.80 H new ATOM 0 HA ASP A 21 -2.653 -25.016 -8.281 1.00 0.50 H new ATOM 0 HB2 ASP A 21 -4.786 -26.333 -6.630 1.00 0.67 H new ATOM 0 HB3 ASP A 21 -4.849 -25.832 -8.308 1.00 0.67 H new ATOM 332 N GLU A 22 -2.996 -23.951 -5.314 1.00 0.64 N ATOM 333 CA GLU A 22 -3.274 -22.860 -4.355 1.00 0.32 C ATOM 334 C GLU A 22 -1.878 -22.414 -3.865 1.00 0.22 C ATOM 335 O GLU A 22 -0.945 -23.158 -4.072 1.00 0.24 O ATOM 336 CB GLU A 22 -4.108 -23.467 -3.198 1.00 0.47 C ATOM 337 CG GLU A 22 -5.212 -22.519 -2.732 1.00 0.52 C ATOM 338 CD GLU A 22 -4.592 -21.358 -1.945 1.00 2.88 C ATOM 339 OE1 GLU A 22 -3.406 -21.447 -1.693 1.00 4.13 O ATOM 340 OE2 GLU A 22 -5.344 -20.465 -1.610 1.00 3.42 O ATOM 0 H GLU A 22 -2.374 -24.670 -4.945 1.00 0.64 H new ATOM 0 HA GLU A 22 -3.828 -22.018 -4.771 1.00 0.32 H new ATOM 0 HB2 GLU A 22 -4.551 -24.408 -3.525 1.00 0.47 H new ATOM 0 HB3 GLU A 22 -3.451 -23.699 -2.360 1.00 0.47 H new ATOM 0 HG2 GLU A 22 -5.764 -22.136 -3.591 1.00 0.52 H new ATOM 0 HG3 GLU A 22 -5.926 -23.055 -2.107 1.00 0.52 H new ATOM 347 N LEU A 23 -1.711 -21.233 -3.295 1.00 0.13 N ATOM 348 CA LEU A 23 -0.318 -20.846 -2.834 1.00 0.14 C ATOM 349 C LEU A 23 -0.308 -20.533 -1.357 1.00 0.20 C ATOM 350 O LEU A 23 -1.340 -20.351 -0.757 1.00 0.22 O ATOM 351 CB LEU A 23 0.209 -19.580 -3.533 1.00 0.18 C ATOM 352 CG LEU A 23 -0.385 -19.441 -4.930 1.00 0.28 C ATOM 353 CD1 LEU A 23 -1.108 -18.096 -5.116 1.00 0.32 C ATOM 354 CD2 LEU A 23 0.767 -19.546 -5.922 1.00 0.31 C ATOM 0 H LEU A 23 -2.444 -20.542 -3.132 1.00 0.13 H new ATOM 0 HA LEU A 23 0.311 -21.702 -3.078 1.00 0.14 H new ATOM 0 HB2 LEU A 23 -0.041 -18.701 -2.939 1.00 0.18 H new ATOM 0 HB3 LEU A 23 1.296 -19.622 -3.599 1.00 0.18 H new ATOM 0 HG LEU A 23 -1.126 -20.224 -5.089 1.00 0.28 H new ATOM 0 HD11 LEU A 23 -1.516 -18.039 -6.125 1.00 0.32 H new ATOM 0 HD12 LEU A 23 -1.919 -18.015 -4.392 1.00 0.32 H new ATOM 0 HD13 LEU A 23 -0.402 -17.279 -4.963 1.00 0.32 H new ATOM 0 HD21 LEU A 23 0.382 -19.451 -6.938 1.00 0.31 H new ATOM 0 HD22 LEU A 23 1.486 -18.749 -5.730 1.00 0.31 H new ATOM 0 HD23 LEU A 23 1.258 -20.513 -5.809 1.00 0.31 H new ATOM 366 N THR A 24 0.876 -20.406 -0.825 1.00 0.24 N ATOM 367 CA THR A 24 1.017 -20.103 0.612 1.00 0.29 C ATOM 368 C THR A 24 1.024 -18.614 0.810 1.00 0.26 C ATOM 369 O THR A 24 1.574 -18.096 1.759 1.00 0.32 O ATOM 370 CB THR A 24 2.349 -20.673 1.101 1.00 0.35 C ATOM 371 OG1 THR A 24 2.545 -20.137 2.396 1.00 0.52 O ATOM 372 CG2 THR A 24 3.511 -20.106 0.289 1.00 0.40 C ATOM 0 H THR A 24 1.754 -20.501 -1.335 1.00 0.24 H new ATOM 0 HA THR A 24 0.188 -20.542 1.167 1.00 0.29 H new ATOM 0 HB THR A 24 2.321 -21.761 1.040 1.00 0.35 H new ATOM 0 HG1 THR A 24 2.641 -19.164 2.336 1.00 0.52 H new ATOM 0 HG21 THR A 24 4.449 -20.525 0.654 1.00 0.40 H new ATOM 0 HG22 THR A 24 3.382 -20.366 -0.762 1.00 0.40 H new ATOM 0 HG23 THR A 24 3.533 -19.021 0.394 1.00 0.40 H new ATOM 380 N PHE A 25 0.420 -17.951 -0.111 1.00 0.19 N ATOM 381 CA PHE A 25 0.372 -16.493 -0.003 1.00 0.17 C ATOM 382 C PHE A 25 -0.092 -16.118 1.399 1.00 0.16 C ATOM 383 O PHE A 25 -0.984 -16.736 1.945 1.00 0.18 O ATOM 384 CB PHE A 25 -0.562 -15.958 -1.074 1.00 0.17 C ATOM 385 CG PHE A 25 -1.958 -16.525 -0.900 1.00 0.18 C ATOM 386 CD1 PHE A 25 -2.815 -16.025 0.055 1.00 0.19 C ATOM 387 CD2 PHE A 25 -2.397 -17.509 -1.754 1.00 0.21 C ATOM 388 CE1 PHE A 25 -4.105 -16.506 0.143 1.00 0.22 C ATOM 389 CE2 PHE A 25 -3.656 -17.992 -1.677 1.00 0.23 C ATOM 390 CZ PHE A 25 -4.522 -17.494 -0.726 1.00 0.24 C ATOM 0 H PHE A 25 -0.039 -18.353 -0.928 1.00 0.19 H new ATOM 0 HA PHE A 25 1.356 -16.051 -0.159 1.00 0.17 H new ATOM 0 HB2 PHE A 25 -0.597 -14.870 -1.022 1.00 0.17 H new ATOM 0 HB3 PHE A 25 -0.179 -16.218 -2.061 1.00 0.17 H new ATOM 0 HD1 PHE A 25 -2.477 -15.257 0.735 1.00 0.19 H new ATOM 0 HD2 PHE A 25 -1.723 -17.903 -2.500 1.00 0.21 H new ATOM 0 HE1 PHE A 25 -4.783 -16.113 0.886 1.00 0.22 H new ATOM 0 HE2 PHE A 25 -3.983 -18.765 -2.357 1.00 0.23 H new ATOM 0 HZ PHE A 25 -5.529 -17.878 -0.661 1.00 0.24 H new ATOM 400 N ILE A 26 0.509 -15.105 1.945 1.00 0.13 N ATOM 401 CA ILE A 26 0.132 -14.671 3.316 1.00 0.12 C ATOM 402 C ILE A 26 -0.742 -13.429 3.322 1.00 0.09 C ATOM 403 O ILE A 26 -0.944 -12.798 2.306 1.00 0.08 O ATOM 404 CB ILE A 26 1.429 -14.338 4.046 1.00 0.13 C ATOM 405 CG1 ILE A 26 2.332 -13.521 3.114 1.00 0.19 C ATOM 406 CG2 ILE A 26 2.130 -15.659 4.406 1.00 0.06 C ATOM 407 CD1 ILE A 26 3.402 -12.785 3.929 1.00 0.36 C ATOM 0 H ILE A 26 1.246 -14.557 1.502 1.00 0.13 H new ATOM 0 HA ILE A 26 -0.437 -15.472 3.789 1.00 0.12 H new ATOM 0 HB ILE A 26 1.223 -13.762 4.948 1.00 0.13 H new ATOM 0 HG12 ILE A 26 2.807 -14.179 2.386 1.00 0.19 H new ATOM 0 HG13 ILE A 26 1.734 -12.803 2.552 1.00 0.19 H new ATOM 0 HG21 ILE A 26 3.062 -15.445 4.930 1.00 0.06 H new ATOM 0 HG22 ILE A 26 1.480 -16.252 5.049 1.00 0.06 H new ATOM 0 HG23 ILE A 26 2.346 -16.217 3.495 1.00 0.06 H new ATOM 0 HD11 ILE A 26 4.038 -12.208 3.258 1.00 0.36 H new ATOM 0 HD12 ILE A 26 2.920 -12.113 4.639 1.00 0.36 H new ATOM 0 HD13 ILE A 26 4.010 -13.510 4.470 1.00 0.36 H new ATOM 419 N LYS A 27 -1.243 -13.103 4.486 1.00 0.15 N ATOM 420 CA LYS A 27 -2.099 -11.916 4.595 1.00 0.18 C ATOM 421 C LYS A 27 -1.345 -10.717 4.087 1.00 0.22 C ATOM 422 O LYS A 27 -0.234 -10.454 4.502 1.00 0.21 O ATOM 423 CB LYS A 27 -2.471 -11.680 6.066 1.00 0.18 C ATOM 424 CG LYS A 27 -3.185 -10.323 6.208 1.00 0.21 C ATOM 425 CD LYS A 27 -2.264 -9.342 6.939 1.00 0.30 C ATOM 426 CE LYS A 27 -2.870 -7.936 6.859 1.00 2.06 C ATOM 427 NZ LYS A 27 -2.711 -7.214 8.157 1.00 2.05 N ATOM 0 H LYS A 27 -1.089 -13.614 5.355 1.00 0.15 H new ATOM 0 HA LYS A 27 -3.005 -12.068 4.008 1.00 0.18 H new ATOM 0 HB2 LYS A 27 -3.119 -12.482 6.421 1.00 0.18 H new ATOM 0 HB3 LYS A 27 -1.574 -11.697 6.685 1.00 0.18 H new ATOM 0 HG2 LYS A 27 -3.446 -9.931 5.225 1.00 0.21 H new ATOM 0 HG3 LYS A 27 -4.117 -10.445 6.760 1.00 0.21 H new ATOM 0 HD2 LYS A 27 -2.144 -9.642 7.980 1.00 0.30 H new ATOM 0 HD3 LYS A 27 -1.271 -9.351 6.489 1.00 0.30 H new ATOM 0 HE2 LYS A 27 -2.386 -7.371 6.062 1.00 2.06 H new ATOM 0 HE3 LYS A 27 -3.927 -8.005 6.603 1.00 2.06 H new ATOM 0 HZ1 LYS A 27 -3.128 -6.265 8.080 1.00 2.05 H new ATOM 0 HZ2 LYS A 27 -3.194 -7.744 8.910 1.00 2.05 H new ATOM 0 HZ3 LYS A 27 -1.700 -7.130 8.386 1.00 2.05 H new ATOM 441 N SER A 28 -1.987 -10.073 3.171 1.00 0.27 N ATOM 442 CA SER A 28 -1.453 -8.851 2.514 1.00 0.33 C ATOM 443 C SER A 28 -0.956 -9.172 1.112 1.00 0.27 C ATOM 444 O SER A 28 -0.679 -8.281 0.334 1.00 0.31 O ATOM 445 CB SER A 28 -0.294 -8.240 3.312 1.00 0.36 C ATOM 446 OG SER A 28 -0.150 -6.940 2.760 1.00 0.45 O ATOM 0 H SER A 28 -2.907 -10.354 2.830 1.00 0.27 H new ATOM 0 HA SER A 28 -2.271 -8.133 2.468 1.00 0.33 H new ATOM 0 HB2 SER A 28 -0.520 -8.199 4.378 1.00 0.36 H new ATOM 0 HB3 SER A 28 0.619 -8.825 3.202 1.00 0.36 H new ATOM 0 HG SER A 28 -0.247 -6.986 1.786 1.00 0.45 H new ATOM 452 N ALA A 29 -0.836 -10.438 0.807 1.00 0.19 N ATOM 453 CA ALA A 29 -0.356 -10.796 -0.550 1.00 0.12 C ATOM 454 C ALA A 29 -1.216 -10.069 -1.567 1.00 0.08 C ATOM 455 O ALA A 29 -2.397 -9.911 -1.348 1.00 0.07 O ATOM 456 CB ALA A 29 -0.512 -12.308 -0.751 1.00 0.16 C ATOM 0 H ALA A 29 -1.046 -11.220 1.427 1.00 0.19 H new ATOM 0 HA ALA A 29 0.691 -10.516 -0.670 1.00 0.12 H new ATOM 0 HB1 ALA A 29 -0.162 -12.581 -1.746 1.00 0.16 H new ATOM 0 HB2 ALA A 29 0.076 -12.837 -0.001 1.00 0.16 H new ATOM 0 HB3 ALA A 29 -1.562 -12.582 -0.648 1.00 0.16 H new ATOM 462 N ILE A 30 -0.629 -9.663 -2.660 1.00 0.09 N ATOM 463 CA ILE A 30 -1.419 -8.940 -3.687 1.00 0.08 C ATOM 464 C ILE A 30 -1.321 -9.654 -5.035 1.00 0.15 C ATOM 465 O ILE A 30 -0.475 -9.361 -5.858 1.00 0.45 O ATOM 466 CB ILE A 30 -0.845 -7.528 -3.791 1.00 0.14 C ATOM 467 CG1 ILE A 30 -0.362 -7.066 -2.415 1.00 0.28 C ATOM 468 CG2 ILE A 30 -1.967 -6.586 -4.243 1.00 0.11 C ATOM 469 CD1 ILE A 30 -0.013 -5.579 -2.469 1.00 0.35 C ATOM 0 H ILE A 30 0.357 -9.801 -2.882 1.00 0.09 H new ATOM 0 HA ILE A 30 -2.472 -8.907 -3.408 1.00 0.08 H new ATOM 0 HB ILE A 30 -0.014 -7.520 -4.497 1.00 0.14 H new ATOM 0 HG12 ILE A 30 -1.136 -7.242 -1.668 1.00 0.28 H new ATOM 0 HG13 ILE A 30 0.511 -7.644 -2.111 1.00 0.28 H new ATOM 0 HG21 ILE A 30 -1.579 -5.571 -4.324 1.00 0.11 H new ATOM 0 HG22 ILE A 30 -2.344 -6.909 -5.213 1.00 0.11 H new ATOM 0 HG23 ILE A 30 -2.776 -6.608 -3.513 1.00 0.11 H new ATOM 0 HD11 ILE A 30 0.331 -5.250 -1.488 1.00 0.35 H new ATOM 0 HD12 ILE A 30 0.776 -5.417 -3.204 1.00 0.35 H new ATOM 0 HD13 ILE A 30 -0.897 -5.008 -2.754 1.00 0.35 H new ATOM 481 N ILE A 31 -2.212 -10.580 -5.219 1.00 0.19 N ATOM 482 CA ILE A 31 -2.250 -11.368 -6.478 1.00 0.20 C ATOM 483 C ILE A 31 -2.801 -10.524 -7.640 1.00 0.19 C ATOM 484 O ILE A 31 -3.594 -9.630 -7.418 1.00 0.16 O ATOM 485 CB ILE A 31 -3.143 -12.573 -6.183 1.00 0.27 C ATOM 486 CG1 ILE A 31 -2.551 -13.316 -4.968 1.00 0.30 C ATOM 487 CG2 ILE A 31 -3.155 -13.501 -7.409 1.00 0.30 C ATOM 488 CD1 ILE A 31 -3.538 -14.336 -4.419 1.00 0.23 C ATOM 0 H ILE A 31 -2.929 -10.830 -4.538 1.00 0.19 H new ATOM 0 HA ILE A 31 -1.254 -11.684 -6.788 1.00 0.20 H new ATOM 0 HB ILE A 31 -4.164 -12.257 -5.968 1.00 0.27 H new ATOM 0 HG12 ILE A 31 -1.628 -13.818 -5.258 1.00 0.30 H new ATOM 0 HG13 ILE A 31 -2.293 -12.599 -4.189 1.00 0.30 H new ATOM 0 HG21 ILE A 31 -3.790 -14.363 -7.206 1.00 0.30 H new ATOM 0 HG22 ILE A 31 -3.543 -12.959 -8.272 1.00 0.30 H new ATOM 0 HG23 ILE A 31 -2.140 -13.839 -7.619 1.00 0.30 H new ATOM 0 HD11 ILE A 31 -3.096 -14.846 -3.563 1.00 0.23 H new ATOM 0 HD12 ILE A 31 -4.451 -13.828 -4.107 1.00 0.23 H new ATOM 0 HD13 ILE A 31 -3.775 -15.066 -5.193 1.00 0.23 H new ATOM 500 N GLN A 32 -2.377 -10.820 -8.860 1.00 0.21 N ATOM 501 CA GLN A 32 -2.873 -10.029 -10.035 1.00 0.21 C ATOM 502 C GLN A 32 -3.705 -10.890 -10.986 1.00 0.25 C ATOM 503 O GLN A 32 -3.720 -12.101 -10.878 1.00 0.15 O ATOM 504 CB GLN A 32 -1.650 -9.510 -10.815 1.00 0.23 C ATOM 505 CG GLN A 32 -0.994 -8.332 -10.080 1.00 0.44 C ATOM 506 CD GLN A 32 -0.748 -7.203 -11.084 1.00 1.15 C ATOM 507 OE1 GLN A 32 -1.644 -6.469 -11.442 1.00 2.85 O ATOM 508 NE2 GLN A 32 0.454 -7.034 -11.560 1.00 1.20 N ATOM 0 H GLN A 32 -1.718 -11.566 -9.084 1.00 0.21 H new ATOM 0 HA GLN A 32 -3.498 -9.217 -9.663 1.00 0.21 H new ATOM 0 HB2 GLN A 32 -0.925 -10.314 -10.941 1.00 0.23 H new ATOM 0 HB3 GLN A 32 -1.956 -9.197 -11.813 1.00 0.23 H new ATOM 0 HG2 GLN A 32 -1.638 -7.985 -9.272 1.00 0.44 H new ATOM 0 HG3 GLN A 32 -0.054 -8.646 -9.626 1.00 0.44 H new ATOM 0 HE21 GLN A 32 1.212 -7.649 -11.262 1.00 1.20 H new ATOM 0 HE22 GLN A 32 0.637 -6.287 -12.230 1.00 1.20 H new ATOM 517 N ASN A 33 -4.384 -10.242 -11.908 1.00 0.41 N ATOM 518 CA ASN A 33 -5.217 -11.007 -12.873 1.00 0.48 C ATOM 519 C ASN A 33 -6.077 -11.994 -12.099 1.00 0.47 C ATOM 520 O ASN A 33 -5.696 -13.133 -11.910 1.00 0.55 O ATOM 521 CB ASN A 33 -4.270 -11.766 -13.818 1.00 0.55 C ATOM 522 CG ASN A 33 -4.975 -12.056 -15.144 1.00 0.75 C ATOM 523 OD1 ASN A 33 -4.369 -12.525 -16.088 1.00 2.52 O ATOM 524 ND2 ASN A 33 -6.248 -11.799 -15.263 1.00 1.26 N ATOM 0 H ASN A 33 -4.393 -9.229 -12.027 1.00 0.41 H new ATOM 0 HA ASN A 33 -5.863 -10.343 -13.448 1.00 0.48 H new ATOM 0 HB2 ASN A 33 -3.371 -11.176 -13.996 1.00 0.55 H new ATOM 0 HB3 ASN A 33 -3.952 -12.700 -13.354 1.00 0.55 H new ATOM 0 HD21 ASN A 33 -6.727 -11.992 -16.143 1.00 1.26 H new ATOM 0 HD22 ASN A 33 -6.765 -11.406 -14.476 1.00 1.26 H new ATOM 531 N VAL A 34 -7.219 -11.533 -11.656 1.00 0.45 N ATOM 532 CA VAL A 34 -8.108 -12.413 -10.890 1.00 0.46 C ATOM 533 C VAL A 34 -9.490 -12.628 -11.500 1.00 0.50 C ATOM 534 O VAL A 34 -9.872 -12.005 -12.472 1.00 0.65 O ATOM 535 CB VAL A 34 -8.287 -11.736 -9.547 1.00 0.37 C ATOM 536 CG1 VAL A 34 -7.597 -12.566 -8.492 1.00 2.68 C ATOM 537 CG2 VAL A 34 -7.673 -10.332 -9.553 1.00 2.58 C ATOM 0 H VAL A 34 -7.561 -10.583 -11.799 1.00 0.45 H new ATOM 0 HA VAL A 34 -7.652 -13.402 -10.851 1.00 0.46 H new ATOM 0 HB VAL A 34 -9.353 -11.648 -9.338 1.00 0.37 H new ATOM 0 HG11 VAL A 34 -7.717 -12.090 -7.519 1.00 2.68 H new ATOM 0 HG12 VAL A 34 -8.039 -13.562 -8.466 1.00 2.68 H new ATOM 0 HG13 VAL A 34 -6.536 -12.646 -8.728 1.00 2.68 H new ATOM 0 HG21 VAL A 34 -7.816 -9.868 -8.577 1.00 2.58 H new ATOM 0 HG22 VAL A 34 -6.607 -10.402 -9.769 1.00 2.58 H new ATOM 0 HG23 VAL A 34 -8.159 -9.726 -10.317 1.00 2.58 H new ATOM 547 N GLU A 35 -10.205 -13.535 -10.872 1.00 0.42 N ATOM 548 CA GLU A 35 -11.580 -13.883 -11.317 1.00 0.41 C ATOM 549 C GLU A 35 -12.106 -15.076 -10.505 1.00 0.43 C ATOM 550 O GLU A 35 -11.654 -16.190 -10.684 1.00 0.42 O ATOM 551 CB GLU A 35 -11.532 -14.278 -12.801 1.00 0.37 C ATOM 552 CG GLU A 35 -12.771 -15.113 -13.145 1.00 1.49 C ATOM 553 CD GLU A 35 -12.991 -15.092 -14.660 1.00 0.88 C ATOM 554 OE1 GLU A 35 -11.998 -14.929 -15.348 1.00 1.34 O ATOM 555 OE2 GLU A 35 -14.140 -15.245 -15.044 1.00 0.22 O ATOM 0 H GLU A 35 -9.880 -14.054 -10.056 1.00 0.42 H new ATOM 0 HA GLU A 35 -12.238 -13.026 -11.169 1.00 0.41 H new ATOM 0 HB2 GLU A 35 -11.496 -13.385 -13.426 1.00 0.37 H new ATOM 0 HB3 GLU A 35 -10.626 -14.848 -13.008 1.00 0.37 H new ATOM 0 HG2 GLU A 35 -12.640 -16.138 -12.799 1.00 1.49 H new ATOM 0 HG3 GLU A 35 -13.647 -14.713 -12.633 1.00 1.49 H new ATOM 562 N LYS A 36 -13.040 -14.824 -9.617 1.00 0.47 N ATOM 563 CA LYS A 36 -13.592 -15.946 -8.799 1.00 0.51 C ATOM 564 C LYS A 36 -13.921 -17.125 -9.709 1.00 0.45 C ATOM 565 O LYS A 36 -13.931 -16.983 -10.914 1.00 0.47 O ATOM 566 CB LYS A 36 -14.869 -15.467 -8.084 1.00 0.58 C ATOM 567 CG LYS A 36 -14.840 -13.941 -7.932 1.00 0.68 C ATOM 568 CD LYS A 36 -15.743 -13.546 -6.760 1.00 0.92 C ATOM 569 CE LYS A 36 -15.950 -12.031 -6.772 1.00 0.67 C ATOM 570 NZ LYS A 36 -16.696 -11.599 -5.557 1.00 2.68 N ATOM 0 H LYS A 36 -13.437 -13.904 -9.427 1.00 0.47 H new ATOM 0 HA LYS A 36 -12.856 -16.261 -8.059 1.00 0.51 H new ATOM 0 HB2 LYS A 36 -15.749 -15.768 -8.652 1.00 0.58 H new ATOM 0 HB3 LYS A 36 -14.946 -15.938 -7.104 1.00 0.58 H new ATOM 0 HG2 LYS A 36 -13.820 -13.598 -7.755 1.00 0.68 H new ATOM 0 HG3 LYS A 36 -15.182 -13.463 -8.850 1.00 0.68 H new ATOM 0 HD2 LYS A 36 -16.703 -14.057 -6.837 1.00 0.92 H new ATOM 0 HD3 LYS A 36 -15.292 -13.856 -5.817 1.00 0.92 H new ATOM 0 HE2 LYS A 36 -14.985 -11.526 -6.813 1.00 0.67 H new ATOM 0 HE3 LYS A 36 -16.500 -11.740 -7.667 1.00 0.67 H new ATOM 0 HZ1 LYS A 36 -16.829 -10.568 -5.580 1.00 2.68 H new ATOM 0 HZ2 LYS A 36 -17.624 -12.067 -5.535 1.00 2.68 H new ATOM 0 HZ3 LYS A 36 -16.156 -11.860 -4.707 1.00 2.68 H new ATOM 623 N GLY A 40 -16.589 -19.768 -5.345 1.00 0.40 N ATOM 624 CA GLY A 40 -15.780 -18.848 -4.508 1.00 0.22 C ATOM 625 C GLY A 40 -14.296 -19.220 -4.542 1.00 0.15 C ATOM 626 O GLY A 40 -13.708 -19.496 -3.516 1.00 0.14 O ATOM 0 HA2 GLY A 40 -15.908 -17.825 -4.861 1.00 0.22 H new ATOM 0 HA3 GLY A 40 -16.140 -18.878 -3.480 1.00 0.22 H new ATOM 630 N TRP A 41 -13.723 -19.220 -5.719 1.00 0.29 N ATOM 631 CA TRP A 41 -12.281 -19.567 -5.832 1.00 0.23 C ATOM 632 C TRP A 41 -11.661 -18.590 -6.806 1.00 0.28 C ATOM 633 O TRP A 41 -12.176 -18.382 -7.876 1.00 0.39 O ATOM 634 CB TRP A 41 -12.159 -21.031 -6.248 1.00 0.26 C ATOM 635 CG TRP A 41 -12.693 -21.784 -5.037 1.00 0.24 C ATOM 636 CD1 TRP A 41 -13.999 -22.007 -4.825 1.00 0.20 C ATOM 637 CD2 TRP A 41 -12.023 -21.947 -3.890 1.00 0.25 C ATOM 638 NE1 TRP A 41 -14.075 -22.271 -3.522 1.00 0.21 N ATOM 639 CE2 TRP A 41 -12.895 -22.246 -2.862 1.00 0.24 C ATOM 640 CE3 TRP A 41 -10.673 -21.828 -3.629 1.00 0.29 C ATOM 641 CZ2 TRP A 41 -12.429 -22.397 -1.575 1.00 0.28 C ATOM 642 CZ3 TRP A 41 -10.200 -21.990 -2.341 1.00 0.30 C ATOM 643 CH2 TRP A 41 -11.085 -22.271 -1.306 1.00 0.30 C ATOM 0 H TRP A 41 -14.190 -18.996 -6.598 1.00 0.29 H new ATOM 0 HA TRP A 41 -11.743 -19.478 -4.888 1.00 0.23 H new ATOM 0 HB2 TRP A 41 -12.742 -21.245 -7.144 1.00 0.26 H new ATOM 0 HB3 TRP A 41 -11.126 -21.302 -6.467 1.00 0.26 H new ATOM 0 HD1 TRP A 41 -14.803 -21.979 -5.545 1.00 0.20 H new ATOM 0 HE1 TRP A 41 -14.959 -22.477 -3.056 1.00 0.21 H new ATOM 0 HE3 TRP A 41 -9.986 -21.608 -4.432 1.00 0.29 H new ATOM 0 HZ2 TRP A 41 -13.120 -22.615 -0.774 1.00 0.28 H new ATOM 0 HZ3 TRP A 41 -9.143 -21.898 -2.138 1.00 0.30 H new ATOM 0 HH2 TRP A 41 -10.720 -22.390 -0.297 1.00 0.30 H new ATOM 654 N TRP A 42 -10.557 -18.018 -6.414 1.00 0.25 N ATOM 655 CA TRP A 42 -9.884 -17.027 -7.285 1.00 0.28 C ATOM 656 C TRP A 42 -8.573 -17.461 -7.934 1.00 0.30 C ATOM 657 O TRP A 42 -7.805 -18.159 -7.331 1.00 0.57 O ATOM 658 CB TRP A 42 -9.477 -15.927 -6.335 1.00 0.30 C ATOM 659 CG TRP A 42 -10.706 -15.285 -5.719 1.00 0.35 C ATOM 660 CD1 TRP A 42 -11.766 -15.971 -5.254 1.00 0.35 C ATOM 661 CD2 TRP A 42 -10.931 -13.988 -5.663 1.00 0.42 C ATOM 662 NE1 TRP A 42 -12.629 -15.014 -4.972 1.00 0.43 N ATOM 663 CE2 TRP A 42 -12.195 -13.759 -5.178 1.00 0.48 C ATOM 664 CE3 TRP A 42 -10.094 -12.931 -5.929 1.00 0.46 C ATOM 665 CZ2 TRP A 42 -12.638 -12.484 -4.962 1.00 0.57 C ATOM 666 CZ3 TRP A 42 -10.533 -11.650 -5.710 1.00 0.56 C ATOM 667 CH2 TRP A 42 -11.807 -11.419 -5.230 1.00 0.61 C ATOM 0 H TRP A 42 -10.093 -18.198 -5.523 1.00 0.25 H new ATOM 0 HA TRP A 42 -10.575 -16.797 -8.096 1.00 0.28 H new ATOM 0 HB2 TRP A 42 -8.838 -16.332 -5.551 1.00 0.30 H new ATOM 0 HB3 TRP A 42 -8.893 -15.176 -6.866 1.00 0.30 H new ATOM 0 HD1 TRP A 42 -11.881 -17.039 -5.140 1.00 0.35 H new ATOM 0 HE1 TRP A 42 -13.565 -15.214 -4.620 1.00 0.43 H new ATOM 0 HE3 TRP A 42 -9.098 -13.108 -6.308 1.00 0.46 H new ATOM 0 HZ2 TRP A 42 -13.635 -12.313 -4.583 1.00 0.57 H new ATOM 0 HZ3 TRP A 42 -9.878 -10.816 -5.914 1.00 0.56 H new ATOM 0 HH2 TRP A 42 -12.150 -10.408 -5.066 1.00 0.61 H new ATOM 678 N ARG A 43 -8.313 -16.957 -9.121 1.00 0.18 N ATOM 679 CA ARG A 43 -7.045 -17.325 -9.823 1.00 0.18 C ATOM 680 C ARG A 43 -6.161 -16.082 -9.958 1.00 0.20 C ATOM 681 O ARG A 43 -6.571 -15.003 -9.606 1.00 0.24 O ATOM 682 CB ARG A 43 -7.342 -17.822 -11.230 1.00 0.23 C ATOM 683 CG ARG A 43 -6.824 -19.258 -11.359 1.00 0.28 C ATOM 684 CD ARG A 43 -7.086 -19.797 -12.771 1.00 0.39 C ATOM 685 NE ARG A 43 -7.106 -18.669 -13.745 1.00 2.52 N ATOM 686 CZ ARG A 43 -8.077 -18.589 -14.610 1.00 3.15 C ATOM 687 NH1 ARG A 43 -9.280 -18.326 -14.181 1.00 3.03 N ATOM 688 NH2 ARG A 43 -7.812 -18.773 -15.874 1.00 4.30 N ATOM 0 H ARG A 43 -8.920 -16.313 -9.627 1.00 0.18 H new ATOM 0 HA ARG A 43 -6.549 -18.104 -9.244 1.00 0.18 H new ATOM 0 HB2 ARG A 43 -8.414 -17.787 -11.425 1.00 0.23 H new ATOM 0 HB3 ARG A 43 -6.862 -17.179 -11.968 1.00 0.23 H new ATOM 0 HG2 ARG A 43 -5.756 -19.286 -11.145 1.00 0.28 H new ATOM 0 HG3 ARG A 43 -7.314 -19.895 -10.623 1.00 0.28 H new ATOM 0 HD2 ARG A 43 -6.312 -20.514 -13.046 1.00 0.39 H new ATOM 0 HD3 ARG A 43 -8.037 -20.329 -12.797 1.00 0.39 H new ATOM 0 HE ARG A 43 -6.367 -17.966 -13.734 1.00 2.52 H new ATOM 0 HH11 ARG A 43 -9.447 -18.187 -13.184 1.00 3.03 H new ATOM 0 HH12 ARG A 43 -10.054 -18.259 -14.842 1.00 3.03 H new ATOM 0 HH21 ARG A 43 -6.857 -18.976 -16.171 1.00 4.30 H new ATOM 0 HH22 ARG A 43 -8.559 -18.714 -16.566 1.00 4.30 H new ATOM 702 N GLY A 44 -4.966 -16.250 -10.473 1.00 0.20 N ATOM 703 CA GLY A 44 -4.042 -15.089 -10.633 1.00 0.25 C ATOM 704 C GLY A 44 -2.621 -15.495 -10.192 1.00 0.27 C ATOM 705 O GLY A 44 -2.441 -16.343 -9.338 1.00 0.34 O ATOM 0 H GLY A 44 -4.593 -17.145 -10.789 1.00 0.20 H new ATOM 0 HA2 GLY A 44 -4.031 -14.760 -11.672 1.00 0.25 H new ATOM 0 HA3 GLY A 44 -4.393 -14.247 -10.036 1.00 0.25 H new ATOM 709 N ASP A 45 -1.652 -14.888 -10.796 1.00 0.23 N ATOM 710 CA ASP A 45 -0.229 -15.203 -10.450 1.00 0.25 C ATOM 711 C ASP A 45 0.156 -14.640 -9.082 1.00 0.22 C ATOM 712 O ASP A 45 -0.387 -13.651 -8.649 1.00 0.35 O ATOM 713 CB ASP A 45 0.668 -14.539 -11.496 1.00 0.31 C ATOM 714 CG ASP A 45 1.523 -13.471 -10.815 1.00 0.59 C ATOM 715 OD1 ASP A 45 0.931 -12.493 -10.390 1.00 0.76 O ATOM 716 OD2 ASP A 45 2.720 -13.696 -10.757 1.00 0.91 O ATOM 0 H ASP A 45 -1.773 -14.181 -11.521 1.00 0.23 H new ATOM 0 HA ASP A 45 -0.110 -16.286 -10.429 1.00 0.25 H new ATOM 0 HB2 ASP A 45 1.305 -15.284 -11.972 1.00 0.31 H new ATOM 0 HB3 ASP A 45 0.061 -14.090 -12.282 1.00 0.31 H new ATOM 721 N TYR A 46 1.113 -15.259 -8.438 1.00 0.15 N ATOM 722 CA TYR A 46 1.525 -14.748 -7.100 1.00 0.05 C ATOM 723 C TYR A 46 3.014 -14.964 -6.844 1.00 0.38 C ATOM 724 O TYR A 46 3.486 -14.762 -5.742 1.00 1.16 O ATOM 725 CB TYR A 46 0.736 -15.505 -6.027 1.00 0.30 C ATOM 726 CG TYR A 46 1.086 -14.907 -4.671 1.00 0.34 C ATOM 727 CD1 TYR A 46 1.024 -13.537 -4.482 1.00 0.34 C ATOM 728 CD2 TYR A 46 1.644 -15.693 -3.678 1.00 0.42 C ATOM 729 CE1 TYR A 46 1.527 -12.968 -3.358 1.00 0.39 C ATOM 730 CE2 TYR A 46 2.154 -15.108 -2.545 1.00 0.46 C ATOM 731 CZ TYR A 46 2.099 -13.741 -2.370 1.00 0.44 C ATOM 732 OH TYR A 46 2.616 -13.157 -1.232 1.00 0.49 O ATOM 0 H TYR A 46 1.617 -16.080 -8.774 1.00 0.15 H new ATOM 0 HA TYR A 46 1.324 -13.677 -7.068 1.00 0.05 H new ATOM 0 HB2 TYR A 46 -0.335 -15.424 -6.214 1.00 0.30 H new ATOM 0 HB3 TYR A 46 0.984 -16.566 -6.050 1.00 0.30 H new ATOM 0 HD1 TYR A 46 0.570 -12.914 -5.238 1.00 0.34 H new ATOM 0 HD2 TYR A 46 1.678 -16.766 -3.794 1.00 0.42 H new ATOM 0 HE1 TYR A 46 1.479 -11.896 -3.236 1.00 0.39 H new ATOM 0 HE2 TYR A 46 2.604 -15.726 -1.782 1.00 0.46 H new ATOM 0 HH TYR A 46 2.978 -13.852 -0.643 1.00 0.49 H new ATOM 778 N LYS A 50 1.625 -19.220 -12.462 1.00 0.31 N ATOM 779 CA LYS A 50 0.654 -18.329 -13.135 1.00 0.35 C ATOM 780 C LYS A 50 -0.780 -18.824 -13.037 1.00 0.35 C ATOM 781 O LYS A 50 -1.170 -19.781 -13.671 1.00 0.47 O ATOM 782 CB LYS A 50 1.023 -18.204 -14.612 1.00 0.40 C ATOM 783 CG LYS A 50 0.753 -16.760 -15.055 1.00 0.21 C ATOM 784 CD LYS A 50 0.633 -16.717 -16.579 1.00 0.22 C ATOM 785 CE LYS A 50 0.691 -15.263 -17.059 1.00 0.21 C ATOM 786 NZ LYS A 50 -0.067 -14.367 -16.139 1.00 2.31 N ATOM 0 HA LYS A 50 0.706 -17.367 -12.626 1.00 0.35 H new ATOM 0 HB2 LYS A 50 2.072 -18.458 -14.764 1.00 0.40 H new ATOM 0 HB3 LYS A 50 0.436 -18.901 -15.210 1.00 0.40 H new ATOM 0 HG2 LYS A 50 -0.164 -16.391 -14.595 1.00 0.21 H new ATOM 0 HG3 LYS A 50 1.561 -16.108 -14.723 1.00 0.21 H new ATOM 0 HD2 LYS A 50 1.439 -17.293 -17.034 1.00 0.22 H new ATOM 0 HD3 LYS A 50 -0.304 -17.177 -16.893 1.00 0.22 H new ATOM 0 HE2 LYS A 50 1.729 -14.936 -17.117 1.00 0.21 H new ATOM 0 HE3 LYS A 50 0.278 -15.191 -18.065 1.00 0.21 H new ATOM 0 HZ1 LYS A 50 -0.275 -13.470 -16.622 1.00 2.31 H new ATOM 0 HZ2 LYS A 50 -0.958 -14.827 -15.863 1.00 2.31 H new ATOM 0 HZ3 LYS A 50 0.503 -14.179 -15.290 1.00 2.31 H new ATOM 800 N GLN A 51 -1.498 -18.153 -12.190 1.00 0.31 N ATOM 801 CA GLN A 51 -2.932 -18.464 -11.950 1.00 0.25 C ATOM 802 C GLN A 51 -3.198 -19.772 -11.224 1.00 0.16 C ATOM 803 O GLN A 51 -3.540 -20.770 -11.826 1.00 0.22 O ATOM 804 CB GLN A 51 -3.686 -18.461 -13.290 1.00 0.33 C ATOM 805 CG GLN A 51 -3.363 -17.169 -14.043 1.00 0.45 C ATOM 806 CD GLN A 51 -4.643 -16.616 -14.674 1.00 0.68 C ATOM 807 OE1 GLN A 51 -5.332 -17.296 -15.409 1.00 1.36 O ATOM 808 NE2 GLN A 51 -4.991 -15.386 -14.415 1.00 0.36 N ATOM 0 H GLN A 51 -1.140 -17.376 -11.635 1.00 0.31 H new ATOM 0 HA GLN A 51 -3.292 -17.682 -11.282 1.00 0.25 H new ATOM 0 HB2 GLN A 51 -3.396 -19.326 -13.886 1.00 0.33 H new ATOM 0 HB3 GLN A 51 -4.760 -18.537 -13.118 1.00 0.33 H new ATOM 0 HG2 GLN A 51 -2.934 -16.435 -13.361 1.00 0.45 H new ATOM 0 HG3 GLN A 51 -2.617 -17.361 -14.815 1.00 0.45 H new ATOM 0 HE21 GLN A 51 -4.415 -14.812 -13.799 1.00 0.36 H new ATOM 0 HE22 GLN A 51 -5.839 -14.998 -14.829 1.00 0.36 H new ATOM 817 N LEU A 52 -3.031 -19.723 -9.933 1.00 0.07 N ATOM 818 CA LEU A 52 -3.268 -20.924 -9.098 1.00 0.11 C ATOM 819 C LEU A 52 -4.624 -20.695 -8.420 1.00 0.16 C ATOM 820 O LEU A 52 -5.575 -20.402 -9.114 1.00 0.31 O ATOM 821 CB LEU A 52 -2.132 -21.056 -8.057 1.00 0.16 C ATOM 822 CG LEU A 52 -0.749 -21.209 -8.746 1.00 0.11 C ATOM 823 CD1 LEU A 52 0.208 -21.937 -7.798 1.00 0.15 C ATOM 824 CD2 LEU A 52 -0.831 -22.034 -10.035 1.00 0.09 C ATOM 0 H LEU A 52 -2.737 -18.892 -9.419 1.00 0.07 H new ATOM 0 HA LEU A 52 -3.279 -21.846 -9.680 1.00 0.11 H new ATOM 0 HB2 LEU A 52 -2.124 -20.178 -7.412 1.00 0.16 H new ATOM 0 HB3 LEU A 52 -2.320 -21.919 -7.418 1.00 0.16 H new ATOM 0 HG LEU A 52 -0.399 -20.206 -8.989 1.00 0.11 H new ATOM 0 HD11 LEU A 52 1.181 -22.047 -8.277 1.00 0.15 H new ATOM 0 HD12 LEU A 52 0.319 -21.361 -6.880 1.00 0.15 H new ATOM 0 HD13 LEU A 52 -0.194 -22.922 -7.562 1.00 0.15 H new ATOM 0 HD21 LEU A 52 0.161 -22.113 -10.480 1.00 0.09 H new ATOM 0 HD22 LEU A 52 -1.206 -23.031 -9.805 1.00 0.09 H new ATOM 0 HD23 LEU A 52 -1.506 -21.545 -10.737 1.00 0.09 H new ATOM 836 N TRP A 53 -4.735 -20.831 -7.114 1.00 0.13 N ATOM 837 CA TRP A 53 -6.090 -20.588 -6.511 1.00 0.14 C ATOM 838 C TRP A 53 -6.082 -19.955 -5.137 1.00 0.17 C ATOM 839 O TRP A 53 -5.192 -20.175 -4.346 1.00 0.21 O ATOM 840 CB TRP A 53 -6.834 -21.903 -6.338 1.00 0.25 C ATOM 841 CG TRP A 53 -7.314 -22.351 -7.701 1.00 0.33 C ATOM 842 CD1 TRP A 53 -6.788 -23.372 -8.352 1.00 0.53 C ATOM 843 CD2 TRP A 53 -8.229 -21.736 -8.447 1.00 0.30 C ATOM 844 NE1 TRP A 53 -7.416 -23.356 -9.528 1.00 0.54 N ATOM 845 CE2 TRP A 53 -8.331 -22.362 -9.674 1.00 0.37 C ATOM 846 CE3 TRP A 53 -8.991 -20.611 -8.184 1.00 0.34 C ATOM 847 CZ2 TRP A 53 -9.189 -21.861 -10.633 1.00 0.32 C ATOM 848 CZ3 TRP A 53 -9.838 -20.109 -9.155 1.00 0.35 C ATOM 849 CH2 TRP A 53 -9.935 -20.738 -10.372 1.00 0.25 C ATOM 0 H TRP A 53 -3.988 -21.086 -6.468 1.00 0.13 H new ATOM 0 HA TRP A 53 -6.562 -19.901 -7.213 1.00 0.14 H new ATOM 0 HB2 TRP A 53 -6.180 -22.656 -5.898 1.00 0.25 H new ATOM 0 HB3 TRP A 53 -7.678 -21.777 -5.659 1.00 0.25 H new ATOM 0 HD1 TRP A 53 -6.027 -24.059 -8.012 1.00 0.53 H new ATOM 0 HE1 TRP A 53 -7.224 -24.038 -10.262 1.00 0.54 H new ATOM 0 HE3 TRP A 53 -8.924 -20.126 -7.221 1.00 0.34 H new ATOM 0 HZ2 TRP A 53 -9.274 -22.353 -11.590 1.00 0.32 H new ATOM 0 HZ3 TRP A 53 -10.423 -19.223 -8.956 1.00 0.35 H new ATOM 0 HH2 TRP A 53 -10.601 -20.348 -11.127 1.00 0.25 H new ATOM 860 N PHE A 54 -7.078 -19.134 -4.908 1.00 0.17 N ATOM 861 CA PHE A 54 -7.190 -18.464 -3.593 1.00 0.24 C ATOM 862 C PHE A 54 -8.687 -18.403 -3.211 1.00 0.19 C ATOM 863 O PHE A 54 -9.484 -17.866 -3.945 1.00 0.20 O ATOM 864 CB PHE A 54 -6.641 -17.017 -3.597 1.00 0.26 C ATOM 865 CG PHE A 54 -5.969 -16.652 -4.895 1.00 0.22 C ATOM 866 CD1 PHE A 54 -4.891 -17.365 -5.351 1.00 0.15 C ATOM 867 CD2 PHE A 54 -6.477 -15.626 -5.648 1.00 0.26 C ATOM 868 CE1 PHE A 54 -4.340 -17.069 -6.563 1.00 0.16 C ATOM 869 CE2 PHE A 54 -5.940 -15.327 -6.844 1.00 0.26 C ATOM 870 CZ PHE A 54 -4.859 -16.052 -7.317 1.00 0.23 C ATOM 0 H PHE A 54 -7.812 -18.905 -5.578 1.00 0.17 H new ATOM 0 HA PHE A 54 -6.597 -19.040 -2.883 1.00 0.24 H new ATOM 0 HB2 PHE A 54 -7.459 -16.322 -3.409 1.00 0.26 H new ATOM 0 HB3 PHE A 54 -5.930 -16.901 -2.779 1.00 0.26 H new ATOM 0 HD1 PHE A 54 -4.478 -18.162 -4.750 1.00 0.15 H new ATOM 0 HD2 PHE A 54 -7.315 -15.053 -5.278 1.00 0.26 H new ATOM 0 HE1 PHE A 54 -3.496 -17.636 -6.927 1.00 0.16 H new ATOM 0 HE2 PHE A 54 -6.351 -14.522 -7.435 1.00 0.26 H new ATOM 0 HZ PHE A 54 -4.427 -15.815 -8.278 1.00 0.23 H new ATOM 880 N PRO A 55 -9.059 -18.956 -2.082 1.00 0.13 N ATOM 881 CA PRO A 55 -10.468 -18.946 -1.641 1.00 0.10 C ATOM 882 C PRO A 55 -11.121 -17.572 -1.617 1.00 0.09 C ATOM 883 O PRO A 55 -10.482 -16.568 -1.373 1.00 0.25 O ATOM 884 CB PRO A 55 -10.405 -19.420 -0.202 1.00 0.10 C ATOM 885 CG PRO A 55 -9.000 -20.061 0.013 1.00 0.12 C ATOM 886 CD PRO A 55 -8.135 -19.614 -1.136 1.00 0.12 C ATOM 0 HA PRO A 55 -11.055 -19.551 -2.332 1.00 0.10 H new ATOM 0 HB2 PRO A 55 -10.556 -18.587 0.484 1.00 0.10 H new ATOM 0 HB3 PRO A 55 -11.193 -20.146 -0.001 1.00 0.10 H new ATOM 0 HG2 PRO A 55 -8.572 -19.744 0.964 1.00 0.12 H new ATOM 0 HG3 PRO A 55 -9.072 -21.148 0.042 1.00 0.12 H new ATOM 0 HD2 PRO A 55 -7.359 -18.926 -0.800 1.00 0.12 H new ATOM 0 HD3 PRO A 55 -7.631 -20.461 -1.602 1.00 0.12 H new ATOM 894 N SER A 56 -12.401 -17.572 -1.871 1.00 0.09 N ATOM 895 CA SER A 56 -13.151 -16.301 -1.862 1.00 0.06 C ATOM 896 C SER A 56 -13.555 -16.159 -0.415 1.00 0.10 C ATOM 897 O SER A 56 -14.277 -15.269 -0.013 1.00 0.11 O ATOM 898 CB SER A 56 -14.410 -16.418 -2.728 1.00 0.13 C ATOM 899 OG SER A 56 -15.276 -17.266 -1.986 1.00 0.20 O ATOM 0 H SER A 56 -12.954 -18.402 -2.084 1.00 0.09 H new ATOM 0 HA SER A 56 -12.573 -15.462 -2.248 1.00 0.06 H new ATOM 0 HB2 SER A 56 -14.864 -15.442 -2.902 1.00 0.13 H new ATOM 0 HB3 SER A 56 -14.181 -16.842 -3.706 1.00 0.13 H new ATOM 0 HG SER A 56 -16.208 -17.030 -2.178 1.00 0.20 H new ATOM 905 N ASN A 57 -13.028 -17.099 0.336 1.00 0.22 N ATOM 906 CA ASN A 57 -13.273 -17.175 1.768 1.00 0.35 C ATOM 907 C ASN A 57 -12.030 -16.644 2.438 1.00 0.34 C ATOM 908 O ASN A 57 -12.018 -16.353 3.617 1.00 0.38 O ATOM 909 CB ASN A 57 -13.466 -18.664 2.125 1.00 0.39 C ATOM 910 CG ASN A 57 -14.950 -19.017 2.009 1.00 0.92 C ATOM 911 OD1 ASN A 57 -15.809 -18.339 2.536 1.00 0.59 O ATOM 912 ND2 ASN A 57 -15.294 -20.069 1.320 1.00 2.95 N ATOM 0 H ASN A 57 -12.418 -17.834 -0.023 1.00 0.22 H new ATOM 0 HA ASN A 57 -14.150 -16.608 2.080 1.00 0.35 H new ATOM 0 HB2 ASN A 57 -12.877 -19.291 1.456 1.00 0.39 H new ATOM 0 HB3 ASN A 57 -13.111 -18.857 3.137 1.00 0.39 H new ATOM 0 HD21 ASN A 57 -16.279 -20.318 1.226 1.00 2.95 H new ATOM 0 HD22 ASN A 57 -14.578 -20.643 0.875 1.00 2.95 H new ATOM 919 N TYR A 58 -10.996 -16.540 1.633 1.00 0.32 N ATOM 920 CA TYR A 58 -9.706 -16.032 2.150 1.00 0.34 C ATOM 921 C TYR A 58 -9.388 -14.649 1.569 1.00 0.49 C ATOM 922 O TYR A 58 -8.913 -13.779 2.272 1.00 1.19 O ATOM 923 CB TYR A 58 -8.564 -16.990 1.759 1.00 0.12 C ATOM 924 CG TYR A 58 -8.409 -18.101 2.820 1.00 0.16 C ATOM 925 CD1 TYR A 58 -9.413 -19.054 3.051 1.00 0.23 C ATOM 926 CD2 TYR A 58 -7.266 -18.141 3.597 1.00 0.27 C ATOM 927 CE1 TYR A 58 -9.254 -19.993 4.050 1.00 0.40 C ATOM 928 CE2 TYR A 58 -7.122 -19.086 4.589 1.00 0.45 C ATOM 929 CZ TYR A 58 -8.111 -20.016 4.823 1.00 0.51 C ATOM 930 OH TYR A 58 -7.959 -20.958 5.818 1.00 0.69 O ATOM 0 H TYR A 58 -11.001 -16.787 0.643 1.00 0.32 H new ATOM 0 HA TYR A 58 -9.791 -15.962 3.234 1.00 0.34 H new ATOM 0 HB2 TYR A 58 -8.770 -17.434 0.785 1.00 0.12 H new ATOM 0 HB3 TYR A 58 -7.631 -16.435 1.665 1.00 0.12 H new ATOM 0 HD1 TYR A 58 -10.309 -19.053 2.448 1.00 0.23 H new ATOM 0 HD2 TYR A 58 -6.477 -17.424 3.424 1.00 0.27 H new ATOM 0 HE1 TYR A 58 -10.034 -20.719 4.229 1.00 0.40 H new ATOM 0 HE2 TYR A 58 -6.224 -19.098 5.189 1.00 0.45 H new ATOM 0 HH TYR A 58 -7.095 -20.829 6.261 1.00 0.69 H new ATOM 940 N VAL A 59 -9.654 -14.476 0.290 1.00 0.41 N ATOM 941 CA VAL A 59 -9.375 -13.160 -0.361 1.00 0.31 C ATOM 942 C VAL A 59 -10.649 -12.378 -0.669 1.00 0.62 C ATOM 943 O VAL A 59 -11.744 -12.867 -0.492 1.00 1.00 O ATOM 944 CB VAL A 59 -8.649 -13.426 -1.688 1.00 0.39 C ATOM 945 CG1 VAL A 59 -7.607 -14.517 -1.459 1.00 0.47 C ATOM 946 CG2 VAL A 59 -9.646 -13.879 -2.778 1.00 0.62 C ATOM 0 H VAL A 59 -10.050 -15.188 -0.323 1.00 0.41 H new ATOM 0 HA VAL A 59 -8.774 -12.567 0.329 1.00 0.31 H new ATOM 0 HB VAL A 59 -8.170 -12.507 -2.028 1.00 0.39 H new ATOM 0 HG11 VAL A 59 -7.081 -14.719 -2.392 1.00 0.47 H new ATOM 0 HG12 VAL A 59 -6.893 -14.186 -0.704 1.00 0.47 H new ATOM 0 HG13 VAL A 59 -8.101 -15.426 -1.117 1.00 0.47 H new ATOM 0 HG21 VAL A 59 -9.109 -14.062 -3.709 1.00 0.62 H new ATOM 0 HG22 VAL A 59 -10.142 -14.796 -2.459 1.00 0.62 H new ATOM 0 HG23 VAL A 59 -10.391 -13.100 -2.936 1.00 0.62 H new ATOM 956 N GLU A 60 -10.457 -11.170 -1.128 1.00 0.57 N ATOM 957 CA GLU A 60 -11.606 -10.286 -1.477 1.00 0.86 C ATOM 958 C GLU A 60 -11.075 -8.946 -1.940 1.00 0.74 C ATOM 959 O GLU A 60 -10.208 -8.392 -1.296 1.00 1.11 O ATOM 960 CB GLU A 60 -12.448 -10.002 -0.219 1.00 1.47 C ATOM 961 CG GLU A 60 -13.757 -10.812 -0.226 1.00 1.96 C ATOM 962 CD GLU A 60 -14.906 -9.923 -0.710 1.00 3.25 C ATOM 963 OE1 GLU A 60 -15.074 -8.878 -0.104 1.00 3.46 O ATOM 964 OE2 GLU A 60 -15.552 -10.342 -1.655 1.00 4.52 O ATOM 0 H GLU A 60 -9.538 -10.753 -1.278 1.00 0.57 H new ATOM 0 HA GLU A 60 -12.200 -10.779 -2.247 1.00 0.86 H new ATOM 0 HB2 GLU A 60 -11.870 -10.249 0.671 1.00 1.47 H new ATOM 0 HB3 GLU A 60 -12.677 -8.938 -0.165 1.00 1.47 H new ATOM 0 HG2 GLU A 60 -13.656 -11.680 -0.877 1.00 1.96 H new ATOM 0 HG3 GLU A 60 -13.970 -11.187 0.775 1.00 1.96 H new