USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 440 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 9 THR OG1 : rot 32:sc= 0.148 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 19 THR OG1 : rot -124:sc= 0.151 USER MOD Single : A 20 ASN : amide:sc=-0.00548 X(o=-0.0055,f=-0.0055) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.0289 K(o=-0.029,f=-1.8!) USER MOD Single : A 33 TYR OH : rot -74:sc= 0.759 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 52:sc= 0.0121 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.505 K(o=-0.51,f=-1.7) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.323 F(o=-1.3,f=-0.32) USER MOD Single : A 50 ASN : amide:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.382 K(o=-0.38,f=-1.2) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 101:sc= 3.11 USER MOD Single : A 59 SER OG : rot 180:sc= -1.12! USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 9 16.047 1.665 -9.264 1.00 44.22 N ATOM 104 CA THR A 9 17.455 2.008 -9.102 1.00 33.51 C ATOM 105 C THR A 9 17.617 3.343 -8.384 1.00 74.33 C ATOM 106 O THR A 9 16.770 4.229 -8.501 1.00 72.53 O ATOM 107 CB THR A 9 18.176 2.077 -10.461 1.00 43.40 C ATOM 108 OG1 THR A 9 17.936 0.878 -11.205 1.00 63.23 O ATOM 109 CG2 THR A 9 19.673 2.271 -10.270 1.00 20.33 C ATOM 0 HA THR A 9 17.905 1.219 -8.500 1.00 33.51 H new ATOM 0 HB THR A 9 17.783 2.931 -11.013 1.00 43.40 H new ATOM 0 HG1 THR A 9 17.049 0.526 -10.981 1.00 63.23 H new ATOM 0 HG21 THR A 9 20.161 2.317 -11.244 1.00 20.33 H new ATOM 0 HG22 THR A 9 19.853 3.200 -9.730 1.00 20.33 H new ATOM 0 HG23 THR A 9 20.078 1.435 -9.700 1.00 20.33 H new ATOM 117 N VAL A 10 18.710 3.481 -7.641 1.00 41.23 N ATOM 118 CA VAL A 10 18.984 4.710 -6.906 1.00 31.13 C ATOM 119 C VAL A 10 20.285 5.352 -7.374 1.00 0.15 C ATOM 120 O VAL A 10 21.166 4.678 -7.908 1.00 55.24 O ATOM 121 CB VAL A 10 19.069 4.450 -5.390 1.00 32.40 C ATOM 122 CG1 VAL A 10 19.031 5.761 -4.620 1.00 33.32 C ATOM 123 CG2 VAL A 10 17.944 3.527 -4.944 1.00 41.25 C ATOM 0 H VAL A 10 19.420 2.757 -7.532 1.00 41.23 H new ATOM 0 HA VAL A 10 18.155 5.389 -7.105 1.00 31.13 H new ATOM 0 HB VAL A 10 20.018 3.958 -5.176 1.00 32.40 H new ATOM 0 HG11 VAL A 10 19.092 5.557 -3.551 1.00 33.32 H new ATOM 0 HG12 VAL A 10 19.874 6.383 -4.919 1.00 33.32 H new ATOM 0 HG13 VAL A 10 18.099 6.284 -4.837 1.00 33.32 H new ATOM 0 HG21 VAL A 10 18.019 3.354 -3.870 1.00 41.25 H new ATOM 0 HG22 VAL A 10 16.983 3.989 -5.171 1.00 41.25 H new ATOM 0 HG23 VAL A 10 18.023 2.576 -5.471 1.00 41.25 H new ATOM 133 N VAL A 11 20.400 6.660 -7.168 1.00 42.41 N ATOM 134 CA VAL A 11 21.595 7.395 -7.567 1.00 72.33 C ATOM 135 C VAL A 11 22.116 8.259 -6.425 1.00 10.23 C ATOM 136 O VAL A 11 21.338 8.815 -5.649 1.00 31.55 O ATOM 137 CB VAL A 11 21.321 8.290 -8.790 1.00 52.12 C ATOM 138 CG1 VAL A 11 21.159 7.446 -10.045 1.00 30.31 C ATOM 139 CG2 VAL A 11 20.089 9.151 -8.554 1.00 71.13 C ATOM 0 H VAL A 11 19.680 7.233 -6.727 1.00 42.41 H new ATOM 0 HA VAL A 11 22.349 6.654 -7.830 1.00 72.33 H new ATOM 0 HB VAL A 11 22.176 8.950 -8.934 1.00 52.12 H new ATOM 0 HG11 VAL A 11 20.966 8.096 -10.898 1.00 30.31 H new ATOM 0 HG12 VAL A 11 22.072 6.877 -10.221 1.00 30.31 H new ATOM 0 HG13 VAL A 11 20.323 6.759 -9.916 1.00 30.31 H new ATOM 0 HG21 VAL A 11 19.910 9.777 -9.428 1.00 71.13 H new ATOM 0 HG22 VAL A 11 19.224 8.510 -8.384 1.00 71.13 H new ATOM 0 HG23 VAL A 11 20.249 9.784 -7.681 1.00 71.13 H new ATOM 149 N ILE A 12 23.437 8.369 -6.328 1.00 74.20 N ATOM 150 CA ILE A 12 24.062 9.167 -5.281 1.00 14.40 C ATOM 151 C ILE A 12 24.620 10.470 -5.843 1.00 1.42 C ATOM 152 O ILE A 12 25.278 10.478 -6.883 1.00 2.25 O ATOM 153 CB ILE A 12 25.197 8.394 -4.585 1.00 33.53 C ATOM 154 CG1 ILE A 12 24.792 6.933 -4.372 1.00 42.31 C ATOM 155 CG2 ILE A 12 25.549 9.050 -3.258 1.00 71.31 C ATOM 156 CD1 ILE A 12 25.842 6.114 -3.654 1.00 73.12 C ATOM 0 H ILE A 12 24.095 7.915 -6.962 1.00 74.20 H new ATOM 0 HA ILE A 12 23.285 9.392 -4.550 1.00 14.40 H new ATOM 0 HB ILE A 12 26.079 8.418 -5.225 1.00 33.53 H new ATOM 0 HG12 ILE A 12 23.864 6.901 -3.801 1.00 42.31 H new ATOM 0 HG13 ILE A 12 24.586 6.477 -5.340 1.00 42.31 H new ATOM 0 HG21 ILE A 12 26.353 8.492 -2.778 1.00 71.31 H new ATOM 0 HG22 ILE A 12 25.874 10.075 -3.434 1.00 71.31 H new ATOM 0 HG23 ILE A 12 24.673 9.053 -2.610 1.00 71.31 H new ATOM 0 HD11 ILE A 12 25.488 5.090 -3.538 1.00 73.12 H new ATOM 0 HD12 ILE A 12 26.764 6.115 -4.235 1.00 73.12 H new ATOM 0 HD13 ILE A 12 26.031 6.546 -2.671 1.00 73.12 H new ATOM 168 N ALA A 13 24.354 11.571 -5.147 1.00 30.35 N ATOM 169 CA ALA A 13 24.833 12.879 -5.573 1.00 41.45 C ATOM 170 C ALA A 13 26.321 13.041 -5.282 1.00 42.13 C ATOM 171 O ALA A 13 26.770 12.833 -4.154 1.00 53.30 O ATOM 172 CB ALA A 13 24.037 13.982 -4.891 1.00 31.55 C ATOM 0 H ALA A 13 23.809 11.582 -4.285 1.00 30.35 H new ATOM 0 HA ALA A 13 24.690 12.956 -6.651 1.00 41.45 H new ATOM 0 HB1 ALA A 13 24.406 14.954 -5.219 1.00 31.55 H new ATOM 0 HB2 ALA A 13 22.984 13.887 -5.154 1.00 31.55 H new ATOM 0 HB3 ALA A 13 24.150 13.897 -3.810 1.00 31.55 H new ATOM 178 N LEU A 14 27.083 13.412 -6.306 1.00 15.13 N ATOM 179 CA LEU A 14 28.522 13.601 -6.160 1.00 14.13 C ATOM 180 C LEU A 14 28.847 15.046 -5.796 1.00 11.32 C ATOM 181 O LEU A 14 29.856 15.322 -5.146 1.00 71.51 O ATOM 182 CB LEU A 14 29.241 13.215 -7.453 1.00 75.15 C ATOM 183 CG LEU A 14 28.700 11.982 -8.179 1.00 42.12 C ATOM 184 CD1 LEU A 14 29.477 11.735 -9.463 1.00 4.12 C ATOM 185 CD2 LEU A 14 28.761 10.761 -7.273 1.00 72.24 C ATOM 0 H LEU A 14 26.728 13.588 -7.246 1.00 15.13 H new ATOM 0 HA LEU A 14 28.868 12.956 -5.353 1.00 14.13 H new ATOM 0 HB2 LEU A 14 29.197 14.063 -8.137 1.00 75.15 H new ATOM 0 HB3 LEU A 14 30.293 13.045 -7.223 1.00 75.15 H new ATOM 0 HG LEU A 14 27.657 12.165 -8.439 1.00 42.12 H new ATOM 0 HD11 LEU A 14 29.078 10.854 -9.966 1.00 4.12 H new ATOM 0 HD12 LEU A 14 29.382 12.601 -10.118 1.00 4.12 H new ATOM 0 HD13 LEU A 14 30.529 11.573 -9.226 1.00 4.12 H new ATOM 0 HD21 LEU A 14 28.372 9.893 -7.806 1.00 72.24 H new ATOM 0 HD22 LEU A 14 29.795 10.575 -6.982 1.00 72.24 H new ATOM 0 HD23 LEU A 14 28.160 10.939 -6.382 1.00 72.24 H new ATOM 197 N TYR A 15 27.985 15.965 -6.217 1.00 10.11 N ATOM 198 CA TYR A 15 28.181 17.382 -5.936 1.00 15.34 C ATOM 199 C TYR A 15 26.842 18.104 -5.817 1.00 54.02 C ATOM 200 O TYR A 15 25.850 17.700 -6.425 1.00 41.20 O ATOM 201 CB TYR A 15 29.026 18.030 -7.034 1.00 21.25 C ATOM 202 CG TYR A 15 30.330 17.311 -7.296 1.00 43.24 C ATOM 203 CD1 TYR A 15 31.477 17.625 -6.577 1.00 53.32 C ATOM 204 CD2 TYR A 15 30.416 16.317 -8.264 1.00 14.34 C ATOM 205 CE1 TYR A 15 32.670 16.972 -6.815 1.00 24.13 C ATOM 206 CE2 TYR A 15 31.605 15.657 -8.507 1.00 12.51 C ATOM 207 CZ TYR A 15 32.729 15.989 -7.780 1.00 63.32 C ATOM 208 OH TYR A 15 33.916 15.334 -8.019 1.00 2.52 O ATOM 0 H TYR A 15 27.144 15.754 -6.754 1.00 10.11 H new ATOM 0 HA TYR A 15 28.706 17.468 -4.985 1.00 15.34 H new ATOM 0 HB2 TYR A 15 28.446 18.062 -7.956 1.00 21.25 H new ATOM 0 HB3 TYR A 15 29.239 19.062 -6.756 1.00 21.25 H new ATOM 0 HD1 TYR A 15 31.434 18.393 -5.819 1.00 53.32 H new ATOM 0 HD2 TYR A 15 29.538 16.056 -8.836 1.00 14.34 H new ATOM 0 HE1 TYR A 15 33.552 17.230 -6.248 1.00 24.13 H new ATOM 0 HE2 TYR A 15 31.654 14.886 -9.262 1.00 12.51 H new ATOM 0 HH TYR A 15 33.786 14.670 -8.728 1.00 2.52 H new ATOM 218 N ASP A 16 26.822 19.174 -5.031 1.00 13.44 N ATOM 219 CA ASP A 16 25.606 19.955 -4.832 1.00 50.15 C ATOM 220 C ASP A 16 25.187 20.646 -6.127 1.00 33.45 C ATOM 221 O ASP A 16 25.655 21.741 -6.437 1.00 53.23 O ATOM 222 CB ASP A 16 25.816 20.994 -3.730 1.00 52.31 C ATOM 223 CG ASP A 16 27.056 21.836 -3.956 1.00 43.04 C ATOM 224 OD1 ASP A 16 28.173 21.304 -3.787 1.00 71.43 O ATOM 225 OD2 ASP A 16 26.910 23.027 -4.302 1.00 4.52 O ATOM 0 H ASP A 16 27.634 19.521 -4.521 1.00 13.44 H new ATOM 0 HA ASP A 16 24.811 19.273 -4.530 1.00 50.15 H new ATOM 0 HB2 ASP A 16 24.943 21.645 -3.677 1.00 52.31 H new ATOM 0 HB3 ASP A 16 25.895 20.488 -2.768 1.00 52.31 H new ATOM 230 N TYR A 17 24.303 19.997 -6.877 1.00 42.43 N ATOM 231 CA TYR A 17 23.823 20.547 -8.140 1.00 5.23 C ATOM 232 C TYR A 17 22.742 21.596 -7.901 1.00 14.11 C ATOM 233 O TYR A 17 21.982 21.511 -6.936 1.00 64.02 O ATOM 234 CB TYR A 17 23.279 19.431 -9.032 1.00 71.32 C ATOM 235 CG TYR A 17 22.616 19.934 -10.294 1.00 74.34 C ATOM 236 CD1 TYR A 17 23.364 20.511 -11.313 1.00 70.32 C ATOM 237 CD2 TYR A 17 21.241 19.833 -10.468 1.00 52.00 C ATOM 238 CE1 TYR A 17 22.762 20.972 -12.468 1.00 3.30 C ATOM 239 CE2 TYR A 17 20.631 20.291 -11.620 1.00 31.41 C ATOM 240 CZ TYR A 17 21.396 20.860 -12.617 1.00 33.42 C ATOM 241 OH TYR A 17 20.792 21.318 -13.765 1.00 73.12 O ATOM 0 H TYR A 17 23.904 19.090 -6.633 1.00 42.43 H new ATOM 0 HA TYR A 17 24.664 21.026 -8.642 1.00 5.23 H new ATOM 0 HB2 TYR A 17 24.096 18.763 -9.303 1.00 71.32 H new ATOM 0 HB3 TYR A 17 22.560 18.841 -8.464 1.00 71.32 H new ATOM 0 HD1 TYR A 17 24.434 20.601 -11.200 1.00 70.32 H new ATOM 0 HD2 TYR A 17 20.639 19.389 -9.689 1.00 52.00 H new ATOM 0 HE1 TYR A 17 23.359 21.418 -13.250 1.00 3.30 H new ATOM 0 HE2 TYR A 17 19.561 20.204 -11.739 1.00 31.41 H new ATOM 0 HH TYR A 17 19.826 21.163 -13.711 1.00 73.12 H new ATOM 251 N GLN A 18 22.678 22.584 -8.788 1.00 25.02 N ATOM 252 CA GLN A 18 21.690 23.650 -8.674 1.00 61.12 C ATOM 253 C GLN A 18 21.064 23.959 -10.030 1.00 61.33 C ATOM 254 O GLN A 18 21.767 24.133 -11.026 1.00 5.30 O ATOM 255 CB GLN A 18 22.334 24.912 -8.097 1.00 71.21 C ATOM 256 CG GLN A 18 22.320 24.961 -6.578 1.00 3.41 C ATOM 257 CD GLN A 18 23.185 26.076 -6.023 1.00 21.14 C ATOM 258 OE1 GLN A 18 23.479 27.052 -6.713 1.00 51.12 O ATOM 259 NE2 GLN A 18 23.598 25.936 -4.768 1.00 40.23 N ATOM 0 H GLN A 18 23.299 22.668 -9.593 1.00 25.02 H new ATOM 0 HA GLN A 18 20.904 23.311 -8.000 1.00 61.12 H new ATOM 0 HB2 GLN A 18 23.365 24.976 -8.445 1.00 71.21 H new ATOM 0 HB3 GLN A 18 21.812 25.787 -8.485 1.00 71.21 H new ATOM 0 HG2 GLN A 18 21.295 25.095 -6.232 1.00 3.41 H new ATOM 0 HG3 GLN A 18 22.668 24.006 -6.184 1.00 3.41 H new ATOM 0 HE21 GLN A 18 23.330 25.110 -4.232 1.00 40.23 H new ATOM 0 HE22 GLN A 18 24.183 26.654 -4.340 1.00 40.23 H new ATOM 268 N THR A 19 19.737 24.024 -10.063 1.00 13.43 N ATOM 269 CA THR A 19 19.016 24.310 -11.297 1.00 14.55 C ATOM 270 C THR A 19 18.615 25.779 -11.371 1.00 53.31 C ATOM 271 O THR A 19 18.577 26.474 -10.357 1.00 4.41 O ATOM 272 CB THR A 19 17.752 23.438 -11.424 1.00 44.21 C ATOM 273 OG1 THR A 19 16.996 23.837 -12.572 1.00 54.04 O ATOM 274 CG2 THR A 19 16.889 23.551 -10.177 1.00 14.11 C ATOM 0 H THR A 19 19.139 23.882 -9.249 1.00 13.43 H new ATOM 0 HA THR A 19 19.693 24.078 -12.120 1.00 14.55 H new ATOM 0 HB THR A 19 18.063 22.400 -11.537 1.00 44.21 H new ATOM 0 HG1 THR A 19 16.084 24.070 -12.298 1.00 54.04 H new ATOM 0 HG21 THR A 19 16.003 22.927 -10.290 1.00 14.11 H new ATOM 0 HG22 THR A 19 17.459 23.219 -9.309 1.00 14.11 H new ATOM 0 HG23 THR A 19 16.586 24.589 -10.037 1.00 14.11 H new ATOM 282 N ASN A 20 18.315 26.245 -12.579 1.00 52.42 N ATOM 283 CA ASN A 20 17.916 27.633 -12.786 1.00 20.03 C ATOM 284 C ASN A 20 16.397 27.760 -12.839 1.00 54.21 C ATOM 285 O ASN A 20 15.841 28.819 -12.544 1.00 23.41 O ATOM 286 CB ASN A 20 18.530 28.175 -14.078 1.00 61.10 C ATOM 287 CG ASN A 20 18.152 29.621 -14.336 1.00 22.22 C ATOM 288 OD1 ASN A 20 18.663 30.533 -13.685 1.00 71.14 O ATOM 289 ND2 ASN A 20 17.253 29.836 -15.289 1.00 12.23 N ATOM 0 H ASN A 20 18.341 25.682 -13.429 1.00 52.42 H new ATOM 0 HA ASN A 20 18.283 28.220 -11.944 1.00 20.03 H new ATOM 0 HB2 ASN A 20 19.615 28.090 -14.025 1.00 61.10 H new ATOM 0 HB3 ASN A 20 18.203 27.562 -14.918 1.00 61.10 H new ATOM 0 HD21 ASN A 20 16.959 30.788 -15.507 1.00 12.23 H new ATOM 0 HD22 ASN A 20 16.856 29.049 -15.803 1.00 12.23 H new ATOM 296 N ASP A 21 15.731 26.675 -13.217 1.00 34.42 N ATOM 297 CA ASP A 21 14.275 26.663 -13.307 1.00 42.44 C ATOM 298 C ASP A 21 13.685 25.559 -12.436 1.00 11.43 C ATOM 299 O ASP A 21 14.362 24.602 -12.060 1.00 42.23 O ATOM 300 CB ASP A 21 13.835 26.474 -14.760 1.00 33.03 C ATOM 301 CG ASP A 21 13.750 27.786 -15.515 1.00 34.12 C ATOM 302 OD1 ASP A 21 13.206 28.760 -14.953 1.00 3.12 O ATOM 303 OD2 ASP A 21 14.227 27.839 -16.667 1.00 61.32 O ATOM 0 H ASP A 21 16.176 25.792 -13.466 1.00 34.42 H new ATOM 0 HA ASP A 21 13.905 27.622 -12.945 1.00 42.44 H new ATOM 0 HB2 ASP A 21 14.538 25.812 -15.266 1.00 33.03 H new ATOM 0 HB3 ASP A 21 12.862 25.983 -14.781 1.00 33.03 H new ATOM 308 N PRO A 22 12.392 25.694 -12.104 1.00 43.21 N ATOM 309 CA PRO A 22 11.682 24.718 -11.272 1.00 65.13 C ATOM 310 C PRO A 22 11.460 23.393 -11.995 1.00 4.54 C ATOM 311 O PRO A 22 11.157 22.379 -11.368 1.00 60.53 O ATOM 312 CB PRO A 22 10.343 25.402 -10.987 1.00 4.35 C ATOM 313 CG PRO A 22 10.149 26.344 -12.124 1.00 71.04 C ATOM 314 CD PRO A 22 11.524 26.810 -12.516 1.00 71.22 C ATOM 0 HA PRO A 22 12.245 24.462 -10.374 1.00 65.13 H new ATOM 0 HB2 PRO A 22 9.532 24.676 -10.931 1.00 4.35 H new ATOM 0 HB3 PRO A 22 10.364 25.931 -10.034 1.00 4.35 H new ATOM 0 HG2 PRO A 22 9.652 25.850 -12.959 1.00 71.04 H new ATOM 0 HG3 PRO A 22 9.521 27.185 -11.831 1.00 71.04 H new ATOM 0 HD2 PRO A 22 11.594 26.999 -13.587 1.00 71.22 H new ATOM 0 HD3 PRO A 22 11.794 27.737 -12.010 1.00 71.22 H new ATOM 322 N GLN A 23 11.614 23.412 -13.315 1.00 31.33 N ATOM 323 CA GLN A 23 11.429 22.211 -14.121 1.00 45.13 C ATOM 324 C GLN A 23 12.392 21.110 -13.687 1.00 14.31 C ATOM 325 O GLN A 23 12.048 19.929 -13.709 1.00 70.05 O ATOM 326 CB GLN A 23 11.636 22.530 -15.603 1.00 62.10 C ATOM 327 CG GLN A 23 10.962 21.539 -16.538 1.00 41.13 C ATOM 328 CD GLN A 23 10.816 22.075 -17.949 1.00 30.30 C ATOM 329 OE1 GLN A 23 10.043 23.000 -18.197 1.00 14.21 O ATOM 330 NE2 GLN A 23 11.560 21.494 -18.883 1.00 4.31 N ATOM 0 H GLN A 23 11.866 24.244 -13.848 1.00 31.33 H new ATOM 0 HA GLN A 23 10.409 21.857 -13.971 1.00 45.13 H new ATOM 0 HB2 GLN A 23 11.252 23.529 -15.808 1.00 62.10 H new ATOM 0 HB3 GLN A 23 12.705 22.549 -15.816 1.00 62.10 H new ATOM 0 HG2 GLN A 23 11.541 20.616 -16.562 1.00 41.13 H new ATOM 0 HG3 GLN A 23 9.977 21.287 -16.145 1.00 41.13 H new ATOM 0 HE21 GLN A 23 12.188 20.730 -18.633 1.00 4.31 H new ATOM 0 HE22 GLN A 23 11.504 21.812 -19.851 1.00 4.31 H new ATOM 339 N GLU A 24 13.598 21.507 -13.292 1.00 75.23 N ATOM 340 CA GLU A 24 14.609 20.552 -12.854 1.00 2.51 C ATOM 341 C GLU A 24 14.783 20.602 -11.339 1.00 23.33 C ATOM 342 O GLU A 24 14.324 21.535 -10.679 1.00 54.14 O ATOM 343 CB GLU A 24 15.946 20.840 -13.541 1.00 55.25 C ATOM 344 CG GLU A 24 15.810 21.190 -15.014 1.00 14.32 C ATOM 345 CD GLU A 24 16.864 20.519 -15.873 1.00 13.23 C ATOM 346 OE1 GLU A 24 17.199 19.349 -15.595 1.00 4.10 O ATOM 347 OE2 GLU A 24 17.353 21.165 -16.823 1.00 54.04 O ATOM 0 H GLU A 24 13.898 22.482 -13.266 1.00 75.23 H new ATOM 0 HA GLU A 24 14.273 19.553 -13.132 1.00 2.51 H new ATOM 0 HB2 GLU A 24 16.440 21.663 -13.025 1.00 55.25 H new ATOM 0 HB3 GLU A 24 16.592 19.967 -13.442 1.00 55.25 H new ATOM 0 HG2 GLU A 24 14.820 20.896 -15.364 1.00 14.32 H new ATOM 0 HG3 GLU A 24 15.882 22.271 -15.135 1.00 14.32 H new ATOM 354 N LEU A 25 15.449 19.590 -10.793 1.00 5.43 N ATOM 355 CA LEU A 25 15.685 19.517 -9.355 1.00 32.31 C ATOM 356 C LEU A 25 17.159 19.738 -9.032 1.00 41.03 C ATOM 357 O LEU A 25 18.002 19.775 -9.928 1.00 51.02 O ATOM 358 CB LEU A 25 15.230 18.160 -8.813 1.00 4.43 C ATOM 359 CG LEU A 25 14.068 18.190 -7.820 1.00 33.30 C ATOM 360 CD1 LEU A 25 12.889 18.955 -8.401 1.00 71.21 C ATOM 361 CD2 LEU A 25 13.654 16.775 -7.442 1.00 14.12 C ATOM 0 H LEU A 25 15.835 18.809 -11.324 1.00 5.43 H new ATOM 0 HA LEU A 25 15.106 20.306 -8.876 1.00 32.31 H new ATOM 0 HB2 LEU A 25 14.945 17.531 -9.657 1.00 4.43 H new ATOM 0 HB3 LEU A 25 16.081 17.680 -8.331 1.00 4.43 H new ATOM 0 HG LEU A 25 14.399 18.704 -6.918 1.00 33.30 H new ATOM 0 HD11 LEU A 25 12.071 18.966 -7.680 1.00 71.21 H new ATOM 0 HD12 LEU A 25 13.192 19.979 -8.621 1.00 71.21 H new ATOM 0 HD13 LEU A 25 12.557 18.470 -9.319 1.00 71.21 H new ATOM 0 HD21 LEU A 25 12.826 16.815 -6.735 1.00 14.12 H new ATOM 0 HD22 LEU A 25 13.342 16.236 -8.336 1.00 14.12 H new ATOM 0 HD23 LEU A 25 14.498 16.259 -6.984 1.00 14.12 H new ATOM 373 N ALA A 26 17.463 19.883 -7.747 1.00 31.44 N ATOM 374 CA ALA A 26 18.836 20.096 -7.305 1.00 74.23 C ATOM 375 C ALA A 26 19.364 18.882 -6.548 1.00 73.13 C ATOM 376 O ALA A 26 18.597 18.139 -5.933 1.00 43.23 O ATOM 377 CB ALA A 26 18.923 21.341 -6.436 1.00 2.40 C ATOM 0 H ALA A 26 16.777 19.857 -6.993 1.00 31.44 H new ATOM 0 HA ALA A 26 19.458 20.239 -8.189 1.00 74.23 H new ATOM 0 HB1 ALA A 26 19.954 21.488 -6.113 1.00 2.40 H new ATOM 0 HB2 ALA A 26 18.595 22.208 -7.009 1.00 2.40 H new ATOM 0 HB3 ALA A 26 18.283 21.220 -5.562 1.00 2.40 H new ATOM 383 N LEU A 27 20.677 18.685 -6.598 1.00 14.14 N ATOM 384 CA LEU A 27 21.308 17.560 -5.916 1.00 74.15 C ATOM 385 C LEU A 27 22.084 18.031 -4.691 1.00 40.10 C ATOM 386 O LEU A 27 22.511 19.184 -4.620 1.00 35.24 O ATOM 387 CB LEU A 27 22.243 16.819 -6.873 1.00 62.13 C ATOM 388 CG LEU A 27 21.618 16.333 -8.181 1.00 60.23 C ATOM 389 CD1 LEU A 27 22.699 15.969 -9.187 1.00 23.53 C ATOM 390 CD2 LEU A 27 20.703 15.144 -7.926 1.00 14.44 C ATOM 0 H LEU A 27 21.325 19.289 -7.103 1.00 14.14 H new ATOM 0 HA LEU A 27 20.523 16.880 -5.585 1.00 74.15 H new ATOM 0 HB2 LEU A 27 23.078 17.477 -7.115 1.00 62.13 H new ATOM 0 HB3 LEU A 27 22.657 15.957 -6.350 1.00 62.13 H new ATOM 0 HG LEU A 27 21.020 17.143 -8.598 1.00 60.23 H new ATOM 0 HD11 LEU A 27 22.235 15.625 -10.111 1.00 23.53 H new ATOM 0 HD12 LEU A 27 23.314 16.845 -9.393 1.00 23.53 H new ATOM 0 HD13 LEU A 27 23.324 15.175 -8.778 1.00 23.53 H new ATOM 0 HD21 LEU A 27 20.267 14.812 -8.868 1.00 14.44 H new ATOM 0 HD22 LEU A 27 21.278 14.330 -7.485 1.00 14.44 H new ATOM 0 HD23 LEU A 27 19.907 15.438 -7.242 1.00 14.44 H new ATOM 402 N ARG A 28 22.265 17.131 -3.730 1.00 4.41 N ATOM 403 CA ARG A 28 22.992 17.455 -2.508 1.00 35.13 C ATOM 404 C ARG A 28 24.129 16.465 -2.273 1.00 34.22 C ATOM 405 O ARG A 28 23.921 15.251 -2.288 1.00 3.41 O ATOM 406 CB ARG A 28 22.042 17.451 -1.309 1.00 34.14 C ATOM 407 CG ARG A 28 22.460 18.400 -0.197 1.00 71.32 C ATOM 408 CD ARG A 28 22.151 19.845 -0.553 1.00 40.53 C ATOM 409 NE ARG A 28 22.160 20.712 0.622 1.00 54.41 N ATOM 410 CZ ARG A 28 22.153 22.039 0.556 1.00 15.25 C ATOM 411 NH1 ARG A 28 22.136 22.648 -0.621 1.00 43.02 N ATOM 412 NH2 ARG A 28 22.161 22.760 1.671 1.00 61.33 N ATOM 0 H ARG A 28 21.919 16.173 -3.774 1.00 4.41 H new ATOM 0 HA ARG A 28 23.419 18.451 -2.622 1.00 35.13 H new ATOM 0 HB2 ARG A 28 21.042 17.720 -1.648 1.00 34.14 H new ATOM 0 HB3 ARG A 28 21.981 16.439 -0.908 1.00 34.14 H new ATOM 0 HG2 ARG A 28 21.943 18.133 0.725 1.00 71.32 H new ATOM 0 HG3 ARG A 28 23.528 18.291 -0.007 1.00 71.32 H new ATOM 0 HD2 ARG A 28 22.884 20.205 -1.275 1.00 40.53 H new ATOM 0 HD3 ARG A 28 21.175 19.899 -1.036 1.00 40.53 H new ATOM 0 HE ARG A 28 22.172 20.275 1.544 1.00 54.41 H new ATOM 0 HH11 ARG A 28 22.128 22.098 -1.480 1.00 43.02 H new ATOM 0 HH12 ARG A 28 22.131 23.667 -0.668 1.00 43.02 H new ATOM 0 HH21 ARG A 28 22.173 22.295 2.579 1.00 61.33 H new ATOM 0 HH22 ARG A 28 22.156 23.779 1.620 1.00 61.33 H new ATOM 426 N ARG A 29 25.330 16.991 -2.056 1.00 55.34 N ATOM 427 CA ARG A 29 26.499 16.154 -1.820 1.00 45.21 C ATOM 428 C ARG A 29 26.226 15.137 -0.716 1.00 3.21 C ATOM 429 O ARG A 29 25.663 15.473 0.325 1.00 25.02 O ATOM 430 CB ARG A 29 27.704 17.019 -1.445 1.00 64.11 C ATOM 431 CG ARG A 29 29.039 16.408 -1.840 1.00 50.01 C ATOM 432 CD ARG A 29 29.616 15.558 -0.719 1.00 4.31 C ATOM 433 NE ARG A 29 31.067 15.425 -0.825 1.00 31.13 N ATOM 434 CZ ARG A 29 31.669 14.592 -1.666 1.00 52.14 C ATOM 435 NH1 ARG A 29 30.949 13.823 -2.472 1.00 0.13 N ATOM 436 NH2 ARG A 29 32.994 14.528 -1.704 1.00 74.42 N ATOM 0 H ARG A 29 25.518 17.993 -2.039 1.00 55.34 H new ATOM 0 HA ARG A 29 26.720 15.614 -2.741 1.00 45.21 H new ATOM 0 HB2 ARG A 29 27.604 17.993 -1.923 1.00 64.11 H new ATOM 0 HB3 ARG A 29 27.697 17.190 -0.369 1.00 64.11 H new ATOM 0 HG2 ARG A 29 28.910 15.796 -2.733 1.00 50.01 H new ATOM 0 HG3 ARG A 29 29.742 17.201 -2.096 1.00 50.01 H new ATOM 0 HD2 ARG A 29 29.362 16.005 0.242 1.00 4.31 H new ATOM 0 HD3 ARG A 29 29.159 14.569 -0.742 1.00 4.31 H new ATOM 0 HE ARG A 29 31.650 16.004 -0.220 1.00 31.13 H new ATOM 0 HH11 ARG A 29 29.930 13.871 -2.447 1.00 0.13 H new ATOM 0 HH12 ARG A 29 31.414 13.184 -3.117 1.00 0.13 H new ATOM 0 HH21 ARG A 29 33.551 15.119 -1.087 1.00 74.42 H new ATOM 0 HH22 ARG A 29 33.455 13.888 -2.350 1.00 74.42 H new ATOM 450 N ASN A 30 26.629 13.893 -0.952 1.00 34.41 N ATOM 451 CA ASN A 30 26.426 12.826 0.022 1.00 2.21 C ATOM 452 C ASN A 30 24.939 12.576 0.253 1.00 21.32 C ATOM 453 O ASN A 30 24.471 12.568 1.391 1.00 11.21 O ATOM 454 CB ASN A 30 27.107 13.180 1.346 1.00 51.21 C ATOM 455 CG ASN A 30 27.375 11.958 2.203 1.00 45.22 C ATOM 456 OD1 ASN A 30 26.739 10.918 2.036 1.00 21.44 O ATOM 457 ND2 ASN A 30 28.322 12.080 3.126 1.00 21.22 N ATOM 0 H ASN A 30 27.098 13.599 -1.809 1.00 34.41 H new ATOM 0 HA ASN A 30 26.872 11.914 -0.376 1.00 2.21 H new ATOM 0 HB2 ASN A 30 28.048 13.691 1.142 1.00 51.21 H new ATOM 0 HB3 ASN A 30 26.479 13.878 1.899 1.00 51.21 H new ATOM 0 HD21 ASN A 30 28.548 11.292 3.732 1.00 21.22 H new ATOM 0 HD22 ASN A 30 28.824 12.962 3.228 1.00 21.22 H new ATOM 464 N GLU A 31 24.203 12.370 -0.835 1.00 10.54 N ATOM 465 CA GLU A 31 22.769 12.120 -0.750 1.00 20.23 C ATOM 466 C GLU A 31 22.338 11.072 -1.772 1.00 64.10 C ATOM 467 O GLU A 31 23.106 10.707 -2.662 1.00 33.10 O ATOM 468 CB GLU A 31 21.988 13.417 -0.972 1.00 70.43 C ATOM 469 CG GLU A 31 20.657 13.459 -0.241 1.00 31.33 C ATOM 470 CD GLU A 31 20.138 14.871 -0.054 1.00 43.30 C ATOM 471 OE1 GLU A 31 19.659 15.462 -1.044 1.00 53.24 O ATOM 472 OE2 GLU A 31 20.212 15.386 1.081 1.00 20.23 O ATOM 0 H GLU A 31 24.576 12.371 -1.784 1.00 10.54 H new ATOM 0 HA GLU A 31 22.551 11.740 0.248 1.00 20.23 H new ATOM 0 HB2 GLU A 31 22.599 14.259 -0.646 1.00 70.43 H new ATOM 0 HB3 GLU A 31 21.811 13.546 -2.040 1.00 70.43 H new ATOM 0 HG2 GLU A 31 19.923 12.877 -0.798 1.00 31.33 H new ATOM 0 HG3 GLU A 31 20.767 12.984 0.734 1.00 31.33 H new ATOM 479 N GLU A 32 21.106 10.592 -1.636 1.00 51.42 N ATOM 480 CA GLU A 32 20.574 9.586 -2.547 1.00 70.30 C ATOM 481 C GLU A 32 19.295 10.080 -3.218 1.00 24.14 C ATOM 482 O GLU A 32 18.596 10.942 -2.686 1.00 12.15 O ATOM 483 CB GLU A 32 20.298 8.281 -1.796 1.00 14.50 C ATOM 484 CG GLU A 32 21.479 7.326 -1.780 1.00 2.32 C ATOM 485 CD GLU A 32 22.396 7.553 -0.593 1.00 61.44 C ATOM 486 OE1 GLU A 32 21.886 7.892 0.495 1.00 64.41 O ATOM 487 OE2 GLU A 32 23.624 7.390 -0.754 1.00 10.11 O ATOM 0 H GLU A 32 20.458 10.883 -0.904 1.00 51.42 H new ATOM 0 HA GLU A 32 21.321 9.402 -3.320 1.00 70.30 H new ATOM 0 HB2 GLU A 32 20.017 8.515 -0.769 1.00 14.50 H new ATOM 0 HB3 GLU A 32 19.444 7.782 -2.254 1.00 14.50 H new ATOM 0 HG2 GLU A 32 21.112 6.300 -1.760 1.00 2.32 H new ATOM 0 HG3 GLU A 32 22.048 7.443 -2.702 1.00 2.32 H new ATOM 494 N TYR A 33 18.997 9.528 -4.389 1.00 4.15 N ATOM 495 CA TYR A 33 17.805 9.914 -5.134 1.00 43.21 C ATOM 496 C TYR A 33 17.217 8.719 -5.877 1.00 72.14 C ATOM 497 O TYR A 33 17.916 8.032 -6.623 1.00 20.42 O ATOM 498 CB TYR A 33 18.137 11.032 -6.124 1.00 63.34 C ATOM 499 CG TYR A 33 18.558 12.324 -5.461 1.00 33.42 C ATOM 500 CD1 TYR A 33 19.892 12.573 -5.163 1.00 34.55 C ATOM 501 CD2 TYR A 33 17.621 13.296 -5.133 1.00 73.10 C ATOM 502 CE1 TYR A 33 20.280 13.751 -4.556 1.00 11.14 C ATOM 503 CE2 TYR A 33 18.000 14.478 -4.527 1.00 41.23 C ATOM 504 CZ TYR A 33 19.331 14.701 -4.240 1.00 73.22 C ATOM 505 OH TYR A 33 19.714 15.877 -3.637 1.00 33.21 O ATOM 0 H TYR A 33 19.565 8.812 -4.843 1.00 4.15 H new ATOM 0 HA TYR A 33 17.064 10.277 -4.422 1.00 43.21 H new ATOM 0 HB2 TYR A 33 18.936 10.695 -6.784 1.00 63.34 H new ATOM 0 HB3 TYR A 33 17.265 11.222 -6.750 1.00 63.34 H new ATOM 0 HD1 TYR A 33 20.638 11.833 -5.410 1.00 34.55 H new ATOM 0 HD2 TYR A 33 16.578 13.124 -5.356 1.00 73.10 H new ATOM 0 HE1 TYR A 33 21.321 13.928 -4.330 1.00 11.14 H new ATOM 0 HE2 TYR A 33 17.259 15.223 -4.279 1.00 41.23 H new ATOM 0 HH TYR A 33 19.937 15.706 -2.698 1.00 33.21 H new ATOM 515 N CYS A 34 15.927 8.478 -5.669 1.00 62.13 N ATOM 516 CA CYS A 34 15.243 7.366 -6.319 1.00 34.31 C ATOM 517 C CYS A 34 15.119 7.605 -7.820 1.00 43.41 C ATOM 518 O CYS A 34 14.306 8.417 -8.266 1.00 24.54 O ATOM 519 CB CYS A 34 13.856 7.166 -5.706 1.00 74.14 C ATOM 520 SG CYS A 34 13.559 5.496 -5.081 1.00 34.42 S ATOM 0 H CYS A 34 15.334 9.037 -5.056 1.00 62.13 H new ATOM 0 HA CYS A 34 15.836 6.465 -6.162 1.00 34.31 H new ATOM 0 HB2 CYS A 34 13.725 7.876 -4.890 1.00 74.14 H new ATOM 0 HB3 CYS A 34 13.101 7.401 -6.457 1.00 74.14 H new ATOM 0 HG CYS A 34 12.361 5.427 -4.580 1.00 34.42 H new ATOM 526 N LEU A 35 15.932 6.896 -8.596 1.00 11.34 N ATOM 527 CA LEU A 35 15.915 7.033 -10.048 1.00 25.40 C ATOM 528 C LEU A 35 14.550 6.657 -10.615 1.00 22.32 C ATOM 529 O LEU A 35 13.980 5.625 -10.257 1.00 0.12 O ATOM 530 CB LEU A 35 17.000 6.154 -10.675 1.00 10.44 C ATOM 531 CG LEU A 35 17.603 6.664 -11.984 1.00 53.13 C ATOM 532 CD1 LEU A 35 16.536 6.749 -13.065 1.00 64.33 C ATOM 533 CD2 LEU A 35 18.262 8.020 -11.776 1.00 22.41 C ATOM 0 H LEU A 35 16.611 6.221 -8.244 1.00 11.34 H new ATOM 0 HA LEU A 35 16.114 8.076 -10.292 1.00 25.40 H new ATOM 0 HB2 LEU A 35 17.805 6.033 -9.950 1.00 10.44 H new ATOM 0 HB3 LEU A 35 16.580 5.164 -10.853 1.00 10.44 H new ATOM 0 HG LEU A 35 18.367 5.957 -12.309 1.00 53.13 H new ATOM 0 HD11 LEU A 35 16.983 7.114 -13.990 1.00 64.33 H new ATOM 0 HD12 LEU A 35 16.109 5.760 -13.234 1.00 64.33 H new ATOM 0 HD13 LEU A 35 15.750 7.434 -12.747 1.00 64.33 H new ATOM 0 HD21 LEU A 35 18.686 8.367 -12.718 1.00 22.41 H new ATOM 0 HD22 LEU A 35 17.518 8.736 -11.427 1.00 22.41 H new ATOM 0 HD23 LEU A 35 19.055 7.929 -11.034 1.00 22.41 H new ATOM 545 N LEU A 36 14.032 7.498 -11.502 1.00 51.32 N ATOM 546 CA LEU A 36 12.734 7.254 -12.121 1.00 72.44 C ATOM 547 C LEU A 36 12.873 7.093 -13.632 1.00 15.31 C ATOM 548 O LEU A 36 12.364 6.135 -14.214 1.00 21.23 O ATOM 549 CB LEU A 36 11.772 8.400 -11.805 1.00 34.10 C ATOM 550 CG LEU A 36 11.655 8.791 -10.331 1.00 43.24 C ATOM 551 CD1 LEU A 36 11.403 10.285 -10.194 1.00 31.40 C ATOM 552 CD2 LEU A 36 10.548 7.997 -9.654 1.00 71.24 C ATOM 0 H LEU A 36 14.491 8.356 -11.809 1.00 51.32 H new ATOM 0 HA LEU A 36 12.332 6.328 -11.711 1.00 72.44 H new ATOM 0 HB2 LEU A 36 12.087 9.278 -12.369 1.00 34.10 H new ATOM 0 HB3 LEU A 36 10.781 8.126 -12.167 1.00 34.10 H new ATOM 0 HG LEU A 36 12.597 8.555 -9.837 1.00 43.24 H new ATOM 0 HD11 LEU A 36 11.322 10.545 -9.139 1.00 31.40 H new ATOM 0 HD12 LEU A 36 12.230 10.836 -10.641 1.00 31.40 H new ATOM 0 HD13 LEU A 36 10.475 10.546 -10.704 1.00 31.40 H new ATOM 0 HD21 LEU A 36 10.480 8.289 -8.606 1.00 71.24 H new ATOM 0 HD22 LEU A 36 9.599 8.200 -10.150 1.00 71.24 H new ATOM 0 HD23 LEU A 36 10.771 6.932 -9.720 1.00 71.24 H new ATOM 564 N ASP A 37 13.565 8.036 -14.260 1.00 45.34 N ATOM 565 CA ASP A 37 13.774 7.998 -15.703 1.00 44.22 C ATOM 566 C ASP A 37 15.234 8.276 -16.048 1.00 62.24 C ATOM 567 O ASP A 37 15.783 9.314 -15.678 1.00 63.55 O ATOM 568 CB ASP A 37 12.870 9.018 -16.398 1.00 63.40 C ATOM 569 CG ASP A 37 11.930 8.372 -17.396 1.00 71.35 C ATOM 570 OD1 ASP A 37 12.348 7.402 -18.064 1.00 55.21 O ATOM 571 OD2 ASP A 37 10.776 8.835 -17.510 1.00 1.23 O ATOM 0 H ASP A 37 13.991 8.837 -13.793 1.00 45.34 H new ATOM 0 HA ASP A 37 13.520 6.999 -16.056 1.00 44.22 H new ATOM 0 HB2 ASP A 37 12.287 9.553 -15.648 1.00 63.40 H new ATOM 0 HB3 ASP A 37 13.487 9.757 -16.910 1.00 63.40 H new ATOM 576 N SER A 38 15.857 7.341 -16.759 1.00 22.24 N ATOM 577 CA SER A 38 17.255 7.482 -17.150 1.00 12.44 C ATOM 578 C SER A 38 17.441 7.156 -18.628 1.00 40.13 C ATOM 579 O SER A 38 17.557 5.991 -19.008 1.00 44.13 O ATOM 580 CB SER A 38 18.139 6.569 -16.299 1.00 4.12 C ATOM 581 OG SER A 38 17.517 5.315 -16.081 1.00 61.34 O ATOM 0 H SER A 38 15.416 6.478 -17.076 1.00 22.24 H new ATOM 0 HA SER A 38 17.550 8.518 -16.985 1.00 12.44 H new ATOM 0 HB2 SER A 38 19.098 6.421 -16.795 1.00 4.12 H new ATOM 0 HB3 SER A 38 18.346 7.047 -15.342 1.00 4.12 H new ATOM 0 HG SER A 38 17.231 4.938 -16.939 1.00 61.34 H new ATOM 587 N SER A 39 17.468 8.194 -19.458 1.00 40.11 N ATOM 588 CA SER A 39 17.636 8.019 -20.896 1.00 1.21 C ATOM 589 C SER A 39 19.050 8.397 -21.328 1.00 31.14 C ATOM 590 O SER A 39 19.685 7.682 -22.101 1.00 65.50 O ATOM 591 CB SER A 39 16.615 8.867 -21.657 1.00 73.40 C ATOM 592 OG SER A 39 16.565 8.499 -23.025 1.00 3.32 O ATOM 0 H SER A 39 17.376 9.165 -19.159 1.00 40.11 H new ATOM 0 HA SER A 39 17.472 6.967 -21.131 1.00 1.21 H new ATOM 0 HB2 SER A 39 15.629 8.745 -21.208 1.00 73.40 H new ATOM 0 HB3 SER A 39 16.876 9.922 -21.570 1.00 73.40 H new ATOM 0 HG SER A 39 15.904 9.054 -23.489 1.00 3.32 H new ATOM 598 N GLU A 40 19.535 9.526 -20.821 1.00 54.42 N ATOM 599 CA GLU A 40 20.873 10.000 -21.155 1.00 13.11 C ATOM 600 C GLU A 40 21.360 11.020 -20.130 1.00 24.34 C ATOM 601 O GLU A 40 20.567 11.592 -19.382 1.00 53.22 O ATOM 602 CB GLU A 40 20.884 10.621 -22.553 1.00 51.23 C ATOM 603 CG GLU A 40 22.242 10.568 -23.232 1.00 63.21 C ATOM 604 CD GLU A 40 22.144 10.669 -24.742 1.00 23.21 C ATOM 605 OE1 GLU A 40 21.009 10.671 -25.263 1.00 63.03 O ATOM 606 OE2 GLU A 40 23.201 10.745 -25.402 1.00 5.31 O ATOM 0 H GLU A 40 19.022 10.129 -20.178 1.00 54.42 H new ATOM 0 HA GLU A 40 21.548 9.144 -21.140 1.00 13.11 H new ATOM 0 HB2 GLU A 40 20.155 10.104 -23.177 1.00 51.23 H new ATOM 0 HB3 GLU A 40 20.563 11.660 -22.482 1.00 51.23 H new ATOM 0 HG2 GLU A 40 22.864 11.381 -22.857 1.00 63.21 H new ATOM 0 HG3 GLU A 40 22.741 9.636 -22.966 1.00 63.21 H new ATOM 613 N ILE A 41 22.670 11.240 -20.101 1.00 3.44 N ATOM 614 CA ILE A 41 23.264 12.191 -19.168 1.00 71.41 C ATOM 615 C ILE A 41 22.636 13.572 -19.317 1.00 42.43 C ATOM 616 O ILE A 41 22.735 14.411 -18.421 1.00 41.11 O ATOM 617 CB ILE A 41 24.786 12.306 -19.374 1.00 32.50 C ATOM 618 CG1 ILE A 41 25.385 13.295 -18.372 1.00 33.30 C ATOM 619 CG2 ILE A 41 25.097 12.734 -20.800 1.00 55.52 C ATOM 620 CD1 ILE A 41 26.897 13.282 -18.340 1.00 70.25 C ATOM 0 H ILE A 41 23.340 10.773 -20.712 1.00 3.44 H new ATOM 0 HA ILE A 41 23.069 11.812 -18.165 1.00 71.41 H new ATOM 0 HB ILE A 41 25.236 11.328 -19.203 1.00 32.50 H new ATOM 0 HG12 ILE A 41 25.044 14.300 -18.618 1.00 33.30 H new ATOM 0 HG13 ILE A 41 25.007 13.065 -17.376 1.00 33.30 H new ATOM 0 HG21 ILE A 41 26.177 12.811 -20.930 1.00 55.52 H new ATOM 0 HG22 ILE A 41 24.700 11.996 -21.496 1.00 55.52 H new ATOM 0 HG23 ILE A 41 24.638 13.703 -20.997 1.00 55.52 H new ATOM 0 HD11 ILE A 41 27.252 14.007 -17.608 1.00 70.25 H new ATOM 0 HD12 ILE A 41 27.247 12.287 -18.064 1.00 70.25 H new ATOM 0 HD13 ILE A 41 27.284 13.542 -19.325 1.00 70.25 H new ATOM 632 N HIS A 42 21.988 13.802 -20.455 1.00 45.41 N ATOM 633 CA HIS A 42 21.342 15.082 -20.721 1.00 53.42 C ATOM 634 C HIS A 42 20.379 15.449 -19.596 1.00 75.30 C ATOM 635 O HIS A 42 20.386 16.576 -19.102 1.00 41.44 O ATOM 636 CB HIS A 42 20.593 15.032 -22.053 1.00 53.12 C ATOM 637 CG HIS A 42 21.435 14.555 -23.196 1.00 73.42 C ATOM 638 ND1 HIS A 42 22.810 14.653 -23.210 1.00 60.13 N ATOM 639 CD2 HIS A 42 21.089 13.971 -24.367 1.00 54.14 C ATOM 640 CE1 HIS A 42 23.273 14.152 -24.341 1.00 44.15 C ATOM 641 NE2 HIS A 42 22.249 13.731 -25.061 1.00 41.13 N ATOM 0 H HIS A 42 21.897 13.119 -21.207 1.00 45.41 H new ATOM 0 HA HIS A 42 22.116 15.847 -20.777 1.00 53.42 H new ATOM 0 HB2 HIS A 42 19.729 14.375 -21.950 1.00 53.12 H new ATOM 0 HB3 HIS A 42 20.212 16.027 -22.284 1.00 53.12 H new ATOM 0 HD2 HIS A 42 20.087 13.737 -24.695 1.00 54.14 H new ATOM 0 HE1 HIS A 42 24.313 14.096 -24.628 1.00 44.15 H new ATOM 0 HE2 HIS A 42 22.310 13.298 -25.983 1.00 41.13 H new ATOM 649 N TRP A 43 19.551 14.490 -19.197 1.00 22.22 N ATOM 650 CA TRP A 43 18.581 14.712 -18.130 1.00 44.33 C ATOM 651 C TRP A 43 18.194 13.397 -17.464 1.00 33.01 C ATOM 652 O TRP A 43 17.821 12.436 -18.137 1.00 51.10 O ATOM 653 CB TRP A 43 17.335 15.405 -18.683 1.00 12.21 C ATOM 654 CG TRP A 43 16.627 14.605 -19.734 1.00 44.14 C ATOM 655 CD1 TRP A 43 16.789 14.704 -21.087 1.00 3.01 C ATOM 656 CD2 TRP A 43 15.645 13.586 -19.519 1.00 63.34 C ATOM 657 NE1 TRP A 43 15.967 13.807 -21.726 1.00 11.54 N ATOM 658 CE2 TRP A 43 15.256 13.109 -20.786 1.00 75.13 C ATOM 659 CE3 TRP A 43 15.059 13.028 -18.380 1.00 71.23 C ATOM 660 CZ2 TRP A 43 14.306 12.103 -20.943 1.00 30.32 C ATOM 661 CZ3 TRP A 43 14.116 12.029 -18.537 1.00 44.53 C ATOM 662 CH2 TRP A 43 13.748 11.575 -19.810 1.00 70.44 C ATOM 0 H TRP A 43 19.532 13.551 -19.596 1.00 22.22 H new ATOM 0 HA TRP A 43 19.043 15.354 -17.380 1.00 44.33 H new ATOM 0 HB2 TRP A 43 16.645 15.605 -17.863 1.00 12.21 H new ATOM 0 HB3 TRP A 43 17.621 16.370 -19.102 1.00 12.21 H new ATOM 0 HD1 TRP A 43 17.464 15.387 -21.582 1.00 3.01 H new ATOM 0 HE1 TRP A 43 15.898 13.681 -22.736 1.00 11.54 H new ATOM 0 HE3 TRP A 43 15.338 13.371 -17.394 1.00 71.23 H new ATOM 0 HZ2 TRP A 43 14.020 11.752 -21.923 1.00 30.32 H new ATOM 0 HZ3 TRP A 43 13.656 11.591 -17.664 1.00 44.53 H new ATOM 0 HH2 TRP A 43 13.009 10.792 -19.899 1.00 70.44 H new ATOM 673 N TRP A 44 18.284 13.361 -16.139 1.00 74.04 N ATOM 674 CA TRP A 44 17.941 12.162 -15.383 1.00 5.04 C ATOM 675 C TRP A 44 16.846 12.456 -14.364 1.00 21.35 C ATOM 676 O TRP A 44 17.039 13.251 -13.443 1.00 73.44 O ATOM 677 CB TRP A 44 19.180 11.611 -14.674 1.00 72.51 C ATOM 678 CG TRP A 44 19.890 10.549 -15.459 1.00 11.31 C ATOM 679 CD1 TRP A 44 19.930 10.424 -16.818 1.00 42.02 C ATOM 680 CD2 TRP A 44 20.660 9.464 -14.931 1.00 33.31 C ATOM 681 NE1 TRP A 44 20.679 9.326 -17.167 1.00 73.21 N ATOM 682 CE2 TRP A 44 21.138 8.720 -16.028 1.00 1.24 C ATOM 683 CE3 TRP A 44 20.993 9.049 -13.639 1.00 23.40 C ATOM 684 CZ2 TRP A 44 21.930 7.586 -15.869 1.00 0.10 C ATOM 685 CZ3 TRP A 44 21.779 7.923 -13.483 1.00 61.43 C ATOM 686 CH2 TRP A 44 22.241 7.202 -14.593 1.00 1.32 C ATOM 0 H TRP A 44 18.591 14.147 -15.567 1.00 74.04 H new ATOM 0 HA TRP A 44 17.568 11.414 -16.083 1.00 5.04 H new ATOM 0 HB2 TRP A 44 19.871 12.430 -14.476 1.00 72.51 H new ATOM 0 HB3 TRP A 44 18.885 11.203 -13.707 1.00 72.51 H new ATOM 0 HD1 TRP A 44 19.444 11.090 -17.516 1.00 42.02 H new ATOM 0 HE1 TRP A 44 20.863 9.013 -18.120 1.00 73.21 H new ATOM 0 HE3 TRP A 44 20.642 9.598 -12.778 1.00 23.40 H new ATOM 0 HZ2 TRP A 44 22.286 7.029 -16.723 1.00 0.10 H new ATOM 0 HZ3 TRP A 44 22.042 7.593 -12.489 1.00 61.43 H new ATOM 0 HH2 TRP A 44 22.854 6.327 -14.438 1.00 1.32 H new ATOM 697 N ARG A 45 15.697 11.810 -14.533 1.00 62.53 N ATOM 698 CA ARG A 45 14.571 12.003 -13.628 1.00 71.01 C ATOM 699 C ARG A 45 14.752 11.185 -12.353 1.00 34.12 C ATOM 700 O ARG A 45 14.847 9.958 -12.398 1.00 0.33 O ATOM 701 CB ARG A 45 13.262 11.611 -14.317 1.00 3.11 C ATOM 702 CG ARG A 45 12.246 12.739 -14.381 1.00 10.54 C ATOM 703 CD ARG A 45 11.130 12.542 -13.367 1.00 74.51 C ATOM 704 NE ARG A 45 10.177 11.520 -13.794 1.00 42.14 N ATOM 705 CZ ARG A 45 9.318 11.688 -14.793 1.00 52.52 C ATOM 706 NH1 ARG A 45 9.292 12.832 -15.464 1.00 70.33 N ATOM 707 NH2 ARG A 45 8.482 10.712 -15.123 1.00 23.21 N ATOM 0 H ARG A 45 15.522 11.148 -15.289 1.00 62.53 H new ATOM 0 HA ARG A 45 14.530 13.059 -13.359 1.00 71.01 H new ATOM 0 HB2 ARG A 45 13.481 11.273 -15.330 1.00 3.11 H new ATOM 0 HB3 ARG A 45 12.821 10.766 -13.788 1.00 3.11 H new ATOM 0 HG2 ARG A 45 12.745 13.690 -14.195 1.00 10.54 H new ATOM 0 HG3 ARG A 45 11.823 12.792 -15.384 1.00 10.54 H new ATOM 0 HD2 ARG A 45 11.559 12.259 -12.406 1.00 74.51 H new ATOM 0 HD3 ARG A 45 10.606 13.486 -13.216 1.00 74.51 H new ATOM 0 HE ARG A 45 10.171 10.629 -13.298 1.00 42.14 H new ATOM 0 HH11 ARG A 45 9.933 13.585 -15.213 1.00 70.33 H new ATOM 0 HH12 ARG A 45 8.631 12.959 -16.231 1.00 70.33 H new ATOM 0 HH21 ARG A 45 8.498 9.831 -14.609 1.00 23.21 H new ATOM 0 HH22 ARG A 45 7.823 10.843 -15.890 1.00 23.21 H new ATOM 721 N VAL A 46 14.798 11.873 -11.216 1.00 64.42 N ATOM 722 CA VAL A 46 14.967 11.210 -9.928 1.00 42.43 C ATOM 723 C VAL A 46 14.019 11.789 -8.884 1.00 53.13 C ATOM 724 O VAL A 46 13.386 12.820 -9.111 1.00 4.34 O ATOM 725 CB VAL A 46 16.415 11.337 -9.417 1.00 54.43 C ATOM 726 CG1 VAL A 46 17.396 10.818 -10.457 1.00 73.40 C ATOM 727 CG2 VAL A 46 16.726 12.781 -9.053 1.00 50.23 C ATOM 0 H VAL A 46 14.721 12.889 -11.161 1.00 64.42 H new ATOM 0 HA VAL A 46 14.735 10.156 -10.081 1.00 42.43 H new ATOM 0 HB VAL A 46 16.520 10.729 -8.519 1.00 54.43 H new ATOM 0 HG11 VAL A 46 18.413 10.916 -10.078 1.00 73.40 H new ATOM 0 HG12 VAL A 46 17.185 9.769 -10.664 1.00 73.40 H new ATOM 0 HG13 VAL A 46 17.293 11.397 -11.375 1.00 73.40 H new ATOM 0 HG21 VAL A 46 17.753 12.853 -8.694 1.00 50.23 H new ATOM 0 HG22 VAL A 46 16.604 13.412 -9.933 1.00 50.23 H new ATOM 0 HG23 VAL A 46 16.044 13.114 -8.271 1.00 50.23 H new ATOM 737 N GLN A 47 13.926 11.118 -7.741 1.00 14.12 N ATOM 738 CA GLN A 47 13.054 11.566 -6.662 1.00 14.24 C ATOM 739 C GLN A 47 13.825 11.684 -5.351 1.00 63.04 C ATOM 740 O GLN A 47 14.671 10.845 -5.040 1.00 51.02 O ATOM 741 CB GLN A 47 11.880 10.600 -6.491 1.00 22.21 C ATOM 742 CG GLN A 47 11.041 10.875 -5.254 1.00 33.43 C ATOM 743 CD GLN A 47 9.643 10.297 -5.357 1.00 53.52 C ATOM 744 OE1 GLN A 47 8.649 11.075 -4.944 1.00 75.22 O flip ATOM 745 NE2 GLN A 47 9.458 9.165 -5.803 1.00 52.31 N flip ATOM 0 H GLN A 47 14.443 10.263 -7.538 1.00 14.12 H new ATOM 0 HA GLN A 47 12.669 12.551 -6.926 1.00 14.24 H new ATOM 0 HB2 GLN A 47 11.242 10.657 -7.373 1.00 22.21 H new ATOM 0 HB3 GLN A 47 12.263 9.581 -6.441 1.00 22.21 H new ATOM 0 HG2 GLN A 47 11.540 10.456 -4.380 1.00 33.43 H new ATOM 0 HG3 GLN A 47 10.974 11.952 -5.097 1.00 33.43 H new ATOM 0 HE21 GLN A 47 10.251 8.602 -6.109 1.00 52.31 H new ATOM 0 HE22 GLN A 47 8.511 8.790 -5.867 1.00 52.31 H new ATOM 754 N ASP A 48 13.529 12.730 -4.588 1.00 70.01 N ATOM 755 CA ASP A 48 14.195 12.957 -3.311 1.00 14.44 C ATOM 756 C ASP A 48 13.622 12.046 -2.230 1.00 12.04 C ATOM 757 O ASP A 48 12.768 11.203 -2.503 1.00 74.24 O ATOM 758 CB ASP A 48 14.051 14.421 -2.890 1.00 23.20 C ATOM 759 CG ASP A 48 14.805 15.363 -3.808 1.00 14.52 C ATOM 760 OD1 ASP A 48 15.073 14.977 -4.965 1.00 54.40 O ATOM 761 OD2 ASP A 48 15.125 16.488 -3.369 1.00 63.42 O ATOM 0 H ASP A 48 12.832 13.434 -4.831 1.00 70.01 H new ATOM 0 HA ASP A 48 15.253 12.724 -3.434 1.00 14.44 H new ATOM 0 HB2 ASP A 48 12.995 14.692 -2.883 1.00 23.20 H new ATOM 0 HB3 ASP A 48 14.417 14.541 -1.870 1.00 23.20 H new ATOM 766 N ARG A 49 14.099 12.221 -1.002 1.00 33.05 N ATOM 767 CA ARG A 49 13.636 11.413 0.120 1.00 32.11 C ATOM 768 C ARG A 49 12.486 12.102 0.849 1.00 53.14 C ATOM 769 O ARG A 49 12.154 11.749 1.979 1.00 31.23 O ATOM 770 CB ARG A 49 14.785 11.148 1.094 1.00 2.44 C ATOM 771 CG ARG A 49 15.322 12.406 1.759 1.00 60.43 C ATOM 772 CD ARG A 49 16.764 12.227 2.207 1.00 62.44 C ATOM 773 NE ARG A 49 16.854 11.641 3.542 1.00 50.43 N ATOM 774 CZ ARG A 49 16.601 12.315 4.658 1.00 1.51 C ATOM 775 NH1 ARG A 49 16.244 13.591 4.600 1.00 41.12 N ATOM 776 NH2 ARG A 49 16.704 11.713 5.836 1.00 44.30 N ATOM 0 H ARG A 49 14.806 12.915 -0.759 1.00 33.05 H new ATOM 0 HA ARG A 49 13.276 10.463 -0.274 1.00 32.11 H new ATOM 0 HB2 ARG A 49 14.445 10.457 1.865 1.00 2.44 H new ATOM 0 HB3 ARG A 49 15.597 10.655 0.559 1.00 2.44 H new ATOM 0 HG2 ARG A 49 15.257 13.243 1.063 1.00 60.43 H new ATOM 0 HG3 ARG A 49 14.701 12.658 2.619 1.00 60.43 H new ATOM 0 HD2 ARG A 49 17.288 11.589 1.495 1.00 62.44 H new ATOM 0 HD3 ARG A 49 17.268 13.193 2.201 1.00 62.44 H new ATOM 0 HE ARG A 49 17.126 10.661 3.621 1.00 50.43 H new ATOM 0 HH11 ARG A 49 16.163 14.057 3.696 1.00 41.12 H new ATOM 0 HH12 ARG A 49 16.050 14.106 5.459 1.00 41.12 H new ATOM 0 HH21 ARG A 49 16.978 10.732 5.885 1.00 44.30 H new ATOM 0 HH22 ARG A 49 16.509 12.232 6.693 1.00 44.30 H new ATOM 790 N ASN A 50 11.882 13.088 0.192 1.00 21.42 N ATOM 791 CA ASN A 50 10.770 13.827 0.778 1.00 51.22 C ATOM 792 C ASN A 50 9.498 13.637 -0.043 1.00 31.33 C ATOM 793 O ASN A 50 8.389 13.748 0.477 1.00 14.04 O ATOM 794 CB ASN A 50 11.112 15.316 0.870 1.00 24.41 C ATOM 795 CG ASN A 50 12.487 15.557 1.463 1.00 63.21 C ATOM 796 OD1 ASN A 50 12.630 15.750 2.670 1.00 13.14 O ATOM 797 ND2 ASN A 50 13.508 15.547 0.613 1.00 32.43 N ATOM 0 H ASN A 50 12.144 13.393 -0.745 1.00 21.42 H new ATOM 0 HA ASN A 50 10.596 13.438 1.781 1.00 51.22 H new ATOM 0 HB2 ASN A 50 11.065 15.759 -0.125 1.00 24.41 H new ATOM 0 HB3 ASN A 50 10.363 15.821 1.479 1.00 24.41 H new ATOM 0 HD21 ASN A 50 14.457 15.703 0.954 1.00 32.43 H new ATOM 0 HD22 ASN A 50 13.343 15.383 -0.380 1.00 32.43 H new ATOM 804 N GLY A 51 9.668 13.348 -1.330 1.00 34.25 N ATOM 805 CA GLY A 51 8.525 13.146 -2.201 1.00 63.24 C ATOM 806 C GLY A 51 8.506 14.116 -3.366 1.00 60.20 C ATOM 807 O GLY A 51 7.444 14.430 -3.905 1.00 20.52 O ATOM 0 H GLY A 51 10.576 13.250 -1.784 1.00 34.25 H new ATOM 0 HA2 GLY A 51 8.539 12.125 -2.582 1.00 63.24 H new ATOM 0 HA3 GLY A 51 7.607 13.258 -1.623 1.00 63.24 H new ATOM 811 N HIS A 52 9.684 14.594 -3.755 1.00 54.24 N ATOM 812 CA HIS A 52 9.798 15.536 -4.863 1.00 73.24 C ATOM 813 C HIS A 52 10.650 14.952 -5.987 1.00 13.44 C ATOM 814 O HIS A 52 11.791 14.548 -5.766 1.00 13.10 O ATOM 815 CB HIS A 52 10.403 16.854 -4.380 1.00 25.20 C ATOM 816 CG HIS A 52 9.735 17.408 -3.160 1.00 10.32 C ATOM 817 ND1 HIS A 52 10.307 17.372 -1.906 1.00 22.52 N ATOM 818 CD2 HIS A 52 8.536 18.017 -3.007 1.00 12.32 C ATOM 819 CE1 HIS A 52 9.488 17.932 -1.034 1.00 3.21 C ATOM 820 NE2 HIS A 52 8.406 18.333 -1.677 1.00 22.13 N ATOM 0 H HIS A 52 10.572 14.345 -3.320 1.00 54.24 H new ATOM 0 HA HIS A 52 8.797 15.726 -5.251 1.00 73.24 H new ATOM 0 HB2 HIS A 52 11.461 16.702 -4.167 1.00 25.20 H new ATOM 0 HB3 HIS A 52 10.341 17.588 -5.183 1.00 25.20 H new ATOM 0 HD2 HIS A 52 7.815 18.217 -3.786 1.00 12.32 H new ATOM 0 HE1 HIS A 52 9.672 18.043 0.024 1.00 3.21 H new ATOM 0 HE2 HIS A 52 7.604 18.801 -1.254 1.00 22.13 H new ATOM 828 N GLU A 53 10.087 14.912 -7.190 1.00 74.12 N ATOM 829 CA GLU A 53 10.795 14.376 -8.347 1.00 1.14 C ATOM 830 C GLU A 53 11.133 15.485 -9.339 1.00 60.22 C ATOM 831 O GLU A 53 10.342 16.402 -9.555 1.00 72.24 O ATOM 832 CB GLU A 53 9.953 13.300 -9.035 1.00 21.33 C ATOM 833 CG GLU A 53 9.322 12.311 -8.069 1.00 54.10 C ATOM 834 CD GLU A 53 7.900 12.686 -7.697 1.00 61.33 C ATOM 835 OE1 GLU A 53 7.529 13.864 -7.880 1.00 61.23 O ATOM 836 OE2 GLU A 53 7.158 11.800 -7.223 1.00 64.54 O ATOM 0 H GLU A 53 9.143 15.244 -7.389 1.00 74.12 H new ATOM 0 HA GLU A 53 11.726 13.929 -7.997 1.00 1.14 H new ATOM 0 HB2 GLU A 53 9.166 13.782 -9.614 1.00 21.33 H new ATOM 0 HB3 GLU A 53 10.580 12.756 -9.741 1.00 21.33 H new ATOM 0 HG2 GLU A 53 9.326 11.317 -8.517 1.00 54.10 H new ATOM 0 HG3 GLU A 53 9.928 12.255 -7.164 1.00 54.10 H new ATOM 843 N GLY A 54 12.316 15.393 -9.940 1.00 53.21 N ATOM 844 CA GLY A 54 12.739 16.394 -10.902 1.00 13.32 C ATOM 845 C GLY A 54 13.851 15.898 -11.804 1.00 74.34 C ATOM 846 O GLY A 54 14.247 14.735 -11.730 1.00 25.42 O ATOM 0 H GLY A 54 12.988 14.643 -9.778 1.00 53.21 H new ATOM 0 HA2 GLY A 54 11.886 16.691 -11.512 1.00 13.32 H new ATOM 0 HA3 GLY A 54 13.076 17.284 -10.371 1.00 13.32 H new ATOM 850 N TYR A 55 14.354 16.780 -12.661 1.00 34.13 N ATOM 851 CA TYR A 55 15.424 16.424 -13.585 1.00 34.32 C ATOM 852 C TYR A 55 16.782 16.847 -13.034 1.00 62.24 C ATOM 853 O TYR A 55 16.919 17.916 -12.440 1.00 52.42 O ATOM 854 CB TYR A 55 15.187 17.077 -14.948 1.00 23.52 C ATOM 855 CG TYR A 55 13.936 16.590 -15.644 1.00 23.34 C ATOM 856 CD1 TYR A 55 12.687 17.089 -15.298 1.00 35.14 C ATOM 857 CD2 TYR A 55 14.004 15.630 -16.646 1.00 53.10 C ATOM 858 CE1 TYR A 55 11.541 16.647 -15.930 1.00 34.30 C ATOM 859 CE2 TYR A 55 12.863 15.183 -17.285 1.00 3.22 C ATOM 860 CZ TYR A 55 11.634 15.694 -16.923 1.00 43.22 C ATOM 861 OH TYR A 55 10.496 15.250 -17.556 1.00 52.51 O ATOM 0 H TYR A 55 14.038 17.747 -12.735 1.00 34.13 H new ATOM 0 HA TYR A 55 15.422 15.341 -13.704 1.00 34.32 H new ATOM 0 HB2 TYR A 55 15.123 18.157 -14.818 1.00 23.52 H new ATOM 0 HB3 TYR A 55 16.048 16.884 -15.589 1.00 23.52 H new ATOM 0 HD1 TYR A 55 12.610 17.836 -14.521 1.00 35.14 H new ATOM 0 HD2 TYR A 55 14.965 15.226 -16.930 1.00 53.10 H new ATOM 0 HE1 TYR A 55 10.577 17.045 -15.648 1.00 34.30 H new ATOM 0 HE2 TYR A 55 12.933 14.438 -18.063 1.00 3.22 H new ATOM 0 HH TYR A 55 10.737 14.580 -18.230 1.00 52.51 H new ATOM 871 N VAL A 56 17.786 15.999 -13.237 1.00 53.03 N ATOM 872 CA VAL A 56 19.135 16.284 -12.764 1.00 11.12 C ATOM 873 C VAL A 56 20.181 15.630 -13.659 1.00 42.13 C ATOM 874 O VAL A 56 19.920 14.638 -14.339 1.00 75.34 O ATOM 875 CB VAL A 56 19.337 15.797 -11.317 1.00 34.42 C ATOM 876 CG1 VAL A 56 18.663 16.744 -10.335 1.00 64.23 C ATOM 877 CG2 VAL A 56 18.806 14.380 -11.153 1.00 54.42 C ATOM 0 H VAL A 56 17.690 15.109 -13.726 1.00 53.03 H new ATOM 0 HA VAL A 56 19.259 17.366 -12.796 1.00 11.12 H new ATOM 0 HB VAL A 56 20.405 15.788 -11.101 1.00 34.42 H new ATOM 0 HG11 VAL A 56 18.817 16.383 -9.318 1.00 64.23 H new ATOM 0 HG12 VAL A 56 19.094 17.740 -10.436 1.00 64.23 H new ATOM 0 HG13 VAL A 56 17.595 16.788 -10.547 1.00 64.23 H new ATOM 0 HG21 VAL A 56 18.957 14.052 -10.125 1.00 54.42 H new ATOM 0 HG22 VAL A 56 17.742 14.361 -11.388 1.00 54.42 H new ATOM 0 HG23 VAL A 56 19.339 13.711 -11.829 1.00 54.42 H new ATOM 887 N PRO A 57 21.397 16.198 -13.661 1.00 35.50 N ATOM 888 CA PRO A 57 22.508 15.686 -14.468 1.00 21.51 C ATOM 889 C PRO A 57 23.027 14.346 -13.957 1.00 34.24 C ATOM 890 O PRO A 57 23.242 14.170 -12.758 1.00 25.45 O ATOM 891 CB PRO A 57 23.582 16.766 -14.319 1.00 53.41 C ATOM 892 CG PRO A 57 23.275 17.429 -13.020 1.00 62.43 C ATOM 893 CD PRO A 57 21.779 17.382 -12.875 1.00 3.42 C ATOM 0 HA PRO A 57 22.210 15.501 -15.500 1.00 21.51 H new ATOM 0 HB2 PRO A 57 24.582 16.332 -14.315 1.00 53.41 H new ATOM 0 HB3 PRO A 57 23.546 17.477 -15.145 1.00 53.41 H new ATOM 0 HG2 PRO A 57 23.764 16.913 -12.193 1.00 62.43 H new ATOM 0 HG3 PRO A 57 23.636 18.458 -13.012 1.00 62.43 H new ATOM 0 HD2 PRO A 57 21.479 17.285 -11.831 1.00 3.42 H new ATOM 0 HD3 PRO A 57 21.309 18.288 -13.259 1.00 3.42 H new ATOM 901 N SER A 58 23.225 13.404 -14.874 1.00 10.24 N ATOM 902 CA SER A 58 23.715 12.079 -14.514 1.00 63.35 C ATOM 903 C SER A 58 25.212 12.114 -14.223 1.00 24.12 C ATOM 904 O SER A 58 25.722 11.313 -13.439 1.00 44.13 O ATOM 905 CB SER A 58 23.427 11.083 -15.639 1.00 74.15 C ATOM 906 OG SER A 58 23.722 9.757 -15.235 1.00 52.13 O ATOM 0 H SER A 58 23.054 13.534 -15.871 1.00 10.24 H new ATOM 0 HA SER A 58 23.194 11.759 -13.612 1.00 63.35 H new ATOM 0 HB2 SER A 58 22.379 11.153 -15.931 1.00 74.15 H new ATOM 0 HB3 SER A 58 24.020 11.340 -16.517 1.00 74.15 H new ATOM 0 HG SER A 58 22.891 9.296 -14.995 1.00 52.13 H new ATOM 912 N SER A 59 25.911 13.048 -14.860 1.00 1.35 N ATOM 913 CA SER A 59 27.351 13.187 -14.672 1.00 74.24 C ATOM 914 C SER A 59 27.688 13.413 -13.202 1.00 10.02 C ATOM 915 O SER A 59 28.812 13.163 -12.766 1.00 11.25 O ATOM 916 CB SER A 59 27.887 14.346 -15.514 1.00 54.25 C ATOM 917 OG SER A 59 28.926 13.914 -16.375 1.00 21.41 O ATOM 0 H SER A 59 25.504 13.720 -15.511 1.00 1.35 H new ATOM 0 HA SER A 59 27.826 12.261 -14.997 1.00 74.24 H new ATOM 0 HB2 SER A 59 27.077 14.776 -16.104 1.00 54.25 H new ATOM 0 HB3 SER A 59 28.258 15.134 -14.859 1.00 54.25 H new ATOM 0 HG SER A 59 29.250 14.673 -16.903 1.00 21.41 H new ATOM 923 N TYR A 60 26.707 13.888 -12.443 1.00 33.43 N ATOM 924 CA TYR A 60 26.899 14.150 -11.021 1.00 54.44 C ATOM 925 C TYR A 60 26.101 13.165 -10.173 1.00 23.15 C ATOM 926 O TYR A 60 25.830 13.417 -8.998 1.00 31.33 O ATOM 927 CB TYR A 60 26.482 15.583 -10.686 1.00 1.44 C ATOM 928 CG TYR A 60 27.229 16.633 -11.478 1.00 21.53 C ATOM 929 CD1 TYR A 60 26.997 16.801 -12.837 1.00 64.22 C ATOM 930 CD2 TYR A 60 28.166 17.456 -10.866 1.00 41.41 C ATOM 931 CE1 TYR A 60 27.678 17.758 -13.565 1.00 22.52 C ATOM 932 CE2 TYR A 60 28.851 18.417 -11.586 1.00 34.25 C ATOM 933 CZ TYR A 60 28.603 18.563 -12.935 1.00 5.24 C ATOM 934 OH TYR A 60 29.283 19.518 -13.656 1.00 13.34 O ATOM 0 H TYR A 60 25.771 14.100 -12.788 1.00 33.43 H new ATOM 0 HA TYR A 60 27.957 14.023 -10.793 1.00 54.44 H new ATOM 0 HB2 TYR A 60 25.413 15.694 -10.870 1.00 1.44 H new ATOM 0 HB3 TYR A 60 26.643 15.760 -9.622 1.00 1.44 H new ATOM 0 HD1 TYR A 60 26.272 16.173 -13.333 1.00 64.22 H new ATOM 0 HD2 TYR A 60 28.363 17.343 -9.810 1.00 41.41 H new ATOM 0 HE1 TYR A 60 27.487 17.875 -14.621 1.00 22.52 H new ATOM 0 HE2 TYR A 60 29.576 19.050 -11.095 1.00 34.25 H new ATOM 0 HH TYR A 60 29.897 20.000 -13.063 1.00 13.34 H new ATOM 944 N LEU A 61 25.729 12.041 -10.775 1.00 42.25 N ATOM 945 CA LEU A 61 24.963 11.015 -10.076 1.00 42.33 C ATOM 946 C LEU A 61 25.528 9.627 -10.359 1.00 21.24 C ATOM 947 O LEU A 61 25.803 9.279 -11.507 1.00 30.50 O ATOM 948 CB LEU A 61 23.493 11.075 -10.495 1.00 30.14 C ATOM 949 CG LEU A 61 22.644 12.147 -9.811 1.00 53.35 C ATOM 950 CD1 LEU A 61 21.348 12.369 -10.576 1.00 33.24 C ATOM 951 CD2 LEU A 61 22.355 11.760 -8.369 1.00 33.24 C ATOM 0 H LEU A 61 25.945 11.817 -11.746 1.00 42.25 H new ATOM 0 HA LEU A 61 25.038 11.206 -9.005 1.00 42.33 H new ATOM 0 HB2 LEU A 61 23.449 11.237 -11.572 1.00 30.14 H new ATOM 0 HB3 LEU A 61 23.040 10.103 -10.301 1.00 30.14 H new ATOM 0 HG LEU A 61 23.206 13.081 -9.809 1.00 53.35 H new ATOM 0 HD11 LEU A 61 20.756 13.135 -10.075 1.00 33.24 H new ATOM 0 HD12 LEU A 61 21.576 12.693 -11.592 1.00 33.24 H new ATOM 0 HD13 LEU A 61 20.782 11.438 -10.611 1.00 33.24 H new ATOM 0 HD21 LEU A 61 21.750 12.535 -7.899 1.00 33.24 H new ATOM 0 HD22 LEU A 61 21.814 10.814 -8.348 1.00 33.24 H new ATOM 0 HD23 LEU A 61 23.294 11.653 -7.826 1.00 33.24 H new ATOM 963 N VAL A 62 25.697 8.837 -9.303 1.00 62.52 N ATOM 964 CA VAL A 62 26.226 7.484 -9.437 1.00 41.55 C ATOM 965 C VAL A 62 25.201 6.447 -8.995 1.00 33.23 C ATOM 966 O VAL A 62 24.684 6.507 -7.879 1.00 42.55 O ATOM 967 CB VAL A 62 27.514 7.301 -8.613 1.00 44.34 C ATOM 968 CG1 VAL A 62 27.941 5.841 -8.607 1.00 1.33 C ATOM 969 CG2 VAL A 62 28.625 8.187 -9.157 1.00 52.44 C ATOM 0 H VAL A 62 25.475 9.110 -8.346 1.00 62.52 H new ATOM 0 HA VAL A 62 26.455 7.337 -10.492 1.00 41.55 H new ATOM 0 HB VAL A 62 27.312 7.600 -7.585 1.00 44.34 H new ATOM 0 HG11 VAL A 62 28.853 5.731 -8.020 1.00 1.33 H new ATOM 0 HG12 VAL A 62 27.151 5.233 -8.167 1.00 1.33 H new ATOM 0 HG13 VAL A 62 28.126 5.512 -9.630 1.00 1.33 H new ATOM 0 HG21 VAL A 62 29.528 8.045 -8.563 1.00 52.44 H new ATOM 0 HG22 VAL A 62 28.828 7.921 -10.194 1.00 52.44 H new ATOM 0 HG23 VAL A 62 28.317 9.231 -9.104 1.00 52.44 H new ATOM 979 N GLU A 63 24.911 5.495 -9.876 1.00 63.14 N ATOM 980 CA GLU A 63 23.947 4.444 -9.576 1.00 33.44 C ATOM 981 C GLU A 63 24.402 3.613 -8.379 1.00 4.40 C ATOM 982 O GLU A 63 25.425 2.930 -8.436 1.00 10.12 O ATOM 983 CB GLU A 63 23.750 3.538 -10.793 1.00 55.11 C ATOM 984 CG GLU A 63 22.702 4.049 -11.768 1.00 32.40 C ATOM 985 CD GLU A 63 22.967 3.607 -13.194 1.00 64.30 C ATOM 986 OE1 GLU A 63 23.913 4.136 -13.814 1.00 3.35 O ATOM 987 OE2 GLU A 63 22.229 2.730 -13.690 1.00 54.42 O ATOM 0 H GLU A 63 25.330 5.430 -10.804 1.00 63.14 H new ATOM 0 HA GLU A 63 22.998 4.919 -9.328 1.00 33.44 H new ATOM 0 HB2 GLU A 63 24.701 3.434 -11.316 1.00 55.11 H new ATOM 0 HB3 GLU A 63 23.463 2.543 -10.452 1.00 55.11 H new ATOM 0 HG2 GLU A 63 21.719 3.694 -11.458 1.00 32.40 H new ATOM 0 HG3 GLU A 63 22.675 5.138 -11.728 1.00 32.40 H new ATOM 994 N LYS A 64 23.636 3.678 -7.295 1.00 42.14 N ATOM 995 CA LYS A 64 23.958 2.933 -6.084 1.00 45.12 C ATOM 996 C LYS A 64 23.651 1.449 -6.260 1.00 13.51 C ATOM 997 O LYS A 64 22.498 1.029 -6.163 1.00 12.30 O ATOM 998 CB LYS A 64 23.174 3.490 -4.894 1.00 51.11 C ATOM 999 CG LYS A 64 23.585 2.890 -3.560 1.00 52.45 C ATOM 1000 CD LYS A 64 22.751 1.667 -3.219 1.00 12.15 C ATOM 1001 CE LYS A 64 22.935 1.255 -1.766 1.00 0.30 C ATOM 1002 NZ LYS A 64 22.694 -0.201 -1.567 1.00 41.25 N ATOM 0 H LYS A 64 22.787 4.240 -7.231 1.00 42.14 H new ATOM 0 HA LYS A 64 25.025 3.044 -5.892 1.00 45.12 H new ATOM 0 HB2 LYS A 64 23.310 4.571 -4.854 1.00 51.11 H new ATOM 0 HB3 LYS A 64 22.111 3.308 -5.053 1.00 51.11 H new ATOM 0 HG2 LYS A 64 24.639 2.615 -3.593 1.00 52.45 H new ATOM 0 HG3 LYS A 64 23.475 3.637 -2.774 1.00 52.45 H new ATOM 0 HD2 LYS A 64 21.699 1.879 -3.408 1.00 12.15 H new ATOM 0 HD3 LYS A 64 23.032 0.840 -3.871 1.00 12.15 H new ATOM 0 HE2 LYS A 64 23.946 1.503 -1.444 1.00 0.30 H new ATOM 0 HE3 LYS A 64 22.251 1.825 -1.137 1.00 0.30 H new ATOM 0 HZ1 LYS A 64 22.829 -0.441 -0.564 1.00 41.25 H new ATOM 0 HZ2 LYS A 64 21.721 -0.434 -1.851 1.00 41.25 H new ATOM 0 HZ3 LYS A 64 23.363 -0.746 -2.147 1.00 41.25 H new