USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 842 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 22 TYR OH : rot 86:sc= 0.682 USER MOD Set 1.2: B 52 GLN :FLIP amide:sc= -0.749 F(o=-1.5,f=-0.067) USER MOD Set 2.1: A 22 TYR OH : rot 101:sc= 0.567 USER MOD Set 2.2: A 52 GLN :FLIP amide:sc= -1.78! C(o=-4.1!,f=-1.2!) USER MOD Set 3.1: A 13 CYS SG : rot -92:sc= -3.84! USER MOD Set 3.2: A 27 MET CE :methyl -160:sc= -1.04 (180deg=-2.48!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= -3.44! C(o=-5.6!,f=-3.4!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -165:sc=-0.00601 (180deg=-0.294) USER MOD Single : A 30 MET CE :methyl -159:sc= -3.62 (180deg=-6.41!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= -0.0187 (180deg=-0.648) USER MOD Single : A 40 ASN : amide:sc= -0.213 K(o=-0.21,f=-3.5!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.5 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -2.54! C(o=-2.5!,f=-5.5!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 CYS SG : rot 70:sc= -0.709 USER MOD Single : B 14 GLN :FLIP amide:sc= -1.91 F(o=-3.2,f=-1.9) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ -157:sc= -0.149 (180deg=-0.836) USER MOD Single : B 27 MET CE :methyl -161:sc= 0 (180deg=-0.00236) USER MOD Single : B 30 MET CE :methyl -162:sc= -3.78 (180deg=-5.64!) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 ASN :FLIP amide:sc= -0.029 F(o=-1.3!,f=-0.029) USER MOD Single : B 45 SER OG : rot -64:sc= -0.0438 USER MOD Single : B 53 TYR OH : rot 8:sc= 0.156 USER MOD Single : B 56 ASN : amide:sc= -2.46! C(o=-2.5!,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 106 N PHE A 9 44.221 23.049 18.029 1.00 44.59 N ATOM 107 CA PHE A 9 42.758 23.272 17.941 1.00 42.14 C ATOM 108 C PHE A 9 42.481 24.763 17.764 1.00 41.09 C ATOM 109 O PHE A 9 41.818 25.177 16.834 1.00 40.10 O ATOM 110 CB PHE A 9 42.099 22.759 19.234 1.00 39.48 C ATOM 111 CG PHE A 9 40.677 22.370 18.952 1.00 35.93 C ATOM 112 CD1 PHE A 9 39.679 23.342 18.993 1.00 33.89 C ATOM 113 CD2 PHE A 9 40.361 21.045 18.639 1.00 34.84 C ATOM 114 CE1 PHE A 9 38.360 22.991 18.723 1.00 31.72 C ATOM 115 CE2 PHE A 9 39.038 20.695 18.367 1.00 33.98 C ATOM 116 CZ PHE A 9 38.040 21.673 18.411 1.00 33.09 C ATOM 0 HA PHE A 9 42.347 22.735 17.087 1.00 42.14 H new ATOM 0 HB2 PHE A 9 42.651 21.903 19.621 1.00 39.48 H new ATOM 0 HB3 PHE A 9 42.130 23.532 20.002 1.00 39.48 H new ATOM 0 HD1 PHE A 9 39.929 24.365 19.234 1.00 33.89 H new ATOM 0 HD2 PHE A 9 41.138 20.295 18.608 1.00 34.84 H new ATOM 0 HE1 PHE A 9 37.584 23.742 18.756 1.00 31.72 H new ATOM 0 HE2 PHE A 9 38.786 19.673 18.124 1.00 33.98 H new ATOM 0 HZ PHE A 9 37.015 21.404 18.202 1.00 33.09 H new ATOM 126 N LEU A 10 42.989 25.573 18.646 1.00 40.61 N ATOM 127 CA LEU A 10 42.758 27.035 18.518 1.00 40.95 C ATOM 128 C LEU A 10 43.421 27.524 17.234 1.00 41.08 C ATOM 129 O LEU A 10 42.945 28.432 16.582 1.00 37.24 O ATOM 130 CB LEU A 10 43.348 27.758 19.726 1.00 41.66 C ATOM 131 CG LEU A 10 42.831 27.104 21.011 1.00 43.24 C ATOM 132 CD1 LEU A 10 43.420 27.829 22.213 1.00 42.19 C ATOM 133 CD2 LEU A 10 41.302 27.190 21.070 1.00 41.41 C ATOM 0 H LEU A 10 43.552 25.288 19.447 1.00 40.61 H new ATOM 0 HA LEU A 10 41.689 27.243 18.479 1.00 40.95 H new ATOM 0 HB2 LEU A 10 44.437 27.714 19.695 1.00 41.66 H new ATOM 0 HB3 LEU A 10 43.071 28.812 19.704 1.00 41.66 H new ATOM 0 HG LEU A 10 43.130 26.056 21.023 1.00 43.24 H new ATOM 0 HD11 LEU A 10 43.055 27.368 23.131 1.00 42.19 H new ATOM 0 HD12 LEU A 10 44.508 27.763 22.181 1.00 42.19 H new ATOM 0 HD13 LEU A 10 43.119 28.876 22.189 1.00 42.19 H new ATOM 0 HD21 LEU A 10 40.946 26.722 21.988 1.00 41.41 H new ATOM 0 HD22 LEU A 10 40.996 28.236 21.054 1.00 41.41 H new ATOM 0 HD23 LEU A 10 40.875 26.674 20.210 1.00 41.41 H new ATOM 145 N ASP A 11 44.508 26.916 16.847 1.00 41.30 N ATOM 146 CA ASP A 11 45.170 27.343 15.586 1.00 41.83 C ATOM 147 C ASP A 11 44.176 27.134 14.444 1.00 40.90 C ATOM 148 O ASP A 11 43.887 28.043 13.692 1.00 39.80 O ATOM 149 CB ASP A 11 46.434 26.510 15.344 1.00 44.60 C ATOM 150 CG ASP A 11 47.321 27.214 14.315 1.00 47.53 C ATOM 151 OD1 ASP A 11 47.110 26.997 13.133 1.00 48.01 O ATOM 152 OD2 ASP A 11 48.196 27.958 14.726 1.00 48.56 O ATOM 0 H ASP A 11 44.962 26.150 17.344 1.00 41.30 H new ATOM 0 HA ASP A 11 45.464 28.391 15.648 1.00 41.83 H new ATOM 0 HB2 ASP A 11 46.979 26.377 16.279 1.00 44.60 H new ATOM 0 HB3 ASP A 11 46.164 25.516 14.988 1.00 44.60 H new ATOM 157 N TYR A 12 43.619 25.953 14.322 1.00 39.29 N ATOM 158 CA TYR A 12 42.619 25.736 13.240 1.00 38.27 C ATOM 159 C TYR A 12 41.515 26.763 13.432 1.00 34.82 C ATOM 160 O TYR A 12 41.120 27.460 12.521 1.00 33.76 O ATOM 161 CB TYR A 12 41.977 24.348 13.336 1.00 42.68 C ATOM 162 CG TYR A 12 43.005 23.232 13.360 1.00 45.94 C ATOM 163 CD1 TYR A 12 44.129 23.247 12.515 1.00 47.36 C ATOM 164 CD2 TYR A 12 42.807 22.155 14.229 1.00 48.31 C ATOM 165 CE1 TYR A 12 45.042 22.185 12.554 1.00 48.74 C ATOM 166 CE2 TYR A 12 43.713 21.104 14.267 1.00 49.78 C ATOM 167 CZ TYR A 12 44.834 21.113 13.430 1.00 49.89 C ATOM 168 OH TYR A 12 45.733 20.067 13.469 1.00 52.12 O ATOM 0 H TYR A 12 43.811 25.146 14.915 1.00 39.29 H new ATOM 0 HA TYR A 12 43.118 25.825 12.275 1.00 38.27 H new ATOM 0 HB2 TYR A 12 41.367 24.295 14.238 1.00 42.68 H new ATOM 0 HB3 TYR A 12 41.307 24.202 12.489 1.00 42.68 H new ATOM 0 HD1 TYR A 12 44.288 24.074 11.839 1.00 47.36 H new ATOM 0 HD2 TYR A 12 41.942 22.141 14.876 1.00 48.31 H new ATOM 0 HE1 TYR A 12 45.907 22.193 11.908 1.00 48.74 H new ATOM 0 HE2 TYR A 12 43.552 20.278 14.944 1.00 49.78 H new ATOM 0 HH TYR A 12 45.439 19.408 14.132 1.00 52.12 H new ATOM 178 N CYS A 13 41.020 26.862 14.632 1.00 32.26 N ATOM 179 CA CYS A 13 39.948 27.846 14.921 1.00 30.43 C ATOM 180 C CYS A 13 40.363 29.190 14.331 1.00 30.74 C ATOM 181 O CYS A 13 39.716 29.717 13.455 1.00 28.86 O ATOM 182 CB CYS A 13 39.786 27.968 16.439 1.00 30.34 C ATOM 183 SG CYS A 13 38.255 28.842 16.836 1.00 24.58 S ATOM 0 H CYS A 13 41.315 26.299 15.429 1.00 32.26 H new ATOM 0 HA CYS A 13 39.001 27.529 14.485 1.00 30.43 H new ATOM 0 HB2 CYS A 13 39.775 26.976 16.892 1.00 30.34 H new ATOM 0 HB3 CYS A 13 40.638 28.502 16.861 1.00 30.34 H new ATOM 0 HG CYS A 13 38.498 30.114 16.948 1.00 24.58 H new ATOM 189 N GLN A 14 41.457 29.727 14.795 1.00 32.92 N ATOM 190 CA GLN A 14 41.940 31.027 14.260 1.00 34.93 C ATOM 191 C GLN A 14 42.035 30.949 12.733 1.00 35.74 C ATOM 192 O GLN A 14 41.731 31.892 12.035 1.00 35.15 O ATOM 193 CB GLN A 14 43.317 31.337 14.858 1.00 36.23 C ATOM 194 CG GLN A 14 43.603 32.835 14.748 1.00 40.72 C ATOM 195 CD GLN A 14 43.764 33.225 13.280 1.00 42.88 C ATOM 196 OE1 GLN A 14 44.303 32.379 12.449 1.00 45.84 O flip ATOM 197 NE2 GLN A 14 43.396 34.313 12.884 1.00 44.23 N flip ATOM 0 H GLN A 14 42.039 29.318 15.526 1.00 32.92 H new ATOM 0 HA GLN A 14 41.243 31.820 14.531 1.00 34.93 H new ATOM 0 HB2 GLN A 14 43.348 31.027 15.903 1.00 36.23 H new ATOM 0 HB3 GLN A 14 44.087 30.771 14.334 1.00 36.23 H new ATOM 0 HG2 GLN A 14 42.789 33.404 15.198 1.00 40.72 H new ATOM 0 HG3 GLN A 14 44.509 33.083 15.301 1.00 40.72 H new ATOM 0 HE21 GLN A 14 42.974 34.976 13.534 1.00 44.23 H new ATOM 0 HE22 GLN A 14 43.509 34.563 11.902 1.00 44.23 H new ATOM 206 N LYS A 15 42.437 29.830 12.201 1.00 35.66 N ATOM 207 CA LYS A 15 42.513 29.714 10.721 1.00 36.27 C ATOM 208 C LYS A 15 41.084 29.717 10.185 1.00 34.97 C ATOM 209 O LYS A 15 40.703 30.558 9.403 1.00 34.84 O ATOM 210 CB LYS A 15 43.206 28.403 10.348 1.00 40.22 C ATOM 211 CG LYS A 15 44.682 28.409 10.838 1.00 44.18 C ATOM 212 CD LYS A 15 45.650 28.280 9.655 1.00 47.52 C ATOM 213 CE LYS A 15 45.676 26.830 9.169 1.00 50.10 C ATOM 214 NZ LYS A 15 46.604 26.710 8.009 1.00 50.42 N ATOM 0 H LYS A 15 42.714 28.998 12.722 1.00 35.66 H new ATOM 0 HA LYS A 15 43.081 30.541 10.295 1.00 36.27 H new ATOM 0 HB2 LYS A 15 42.672 27.563 10.793 1.00 40.22 H new ATOM 0 HB3 LYS A 15 43.176 28.263 9.267 1.00 40.22 H new ATOM 0 HG2 LYS A 15 44.886 29.332 11.381 1.00 44.18 H new ATOM 0 HG3 LYS A 15 44.842 27.587 11.535 1.00 44.18 H new ATOM 0 HD2 LYS A 15 45.340 28.940 8.845 1.00 47.52 H new ATOM 0 HD3 LYS A 15 46.650 28.592 9.955 1.00 47.52 H new ATOM 0 HE2 LYS A 15 45.998 26.171 9.975 1.00 50.10 H new ATOM 0 HE3 LYS A 15 44.673 26.514 8.880 1.00 50.10 H new ATOM 0 HZ1 LYS A 15 46.621 25.724 7.679 1.00 50.42 H new ATOM 0 HZ2 LYS A 15 46.278 27.327 7.238 1.00 50.42 H new ATOM 0 HZ3 LYS A 15 47.561 26.995 8.299 1.00 50.42 H new ATOM 228 N LEU A 16 40.270 28.798 10.633 1.00 31.52 N ATOM 229 CA LEU A 16 38.851 28.775 10.175 1.00 30.64 C ATOM 230 C LEU A 16 38.293 30.190 10.343 1.00 29.20 C ATOM 231 O LEU A 16 37.562 30.698 9.517 1.00 30.83 O ATOM 232 CB LEU A 16 38.072 27.774 11.049 1.00 29.49 C ATOM 233 CG LEU A 16 36.857 27.211 10.294 1.00 29.11 C ATOM 234 CD1 LEU A 16 37.308 26.469 9.021 1.00 29.81 C ATOM 235 CD2 LEU A 16 36.094 26.249 11.225 1.00 25.98 C ATOM 0 H LEU A 16 40.526 28.065 11.294 1.00 31.52 H new ATOM 0 HA LEU A 16 38.765 28.468 9.133 1.00 30.64 H new ATOM 0 HB2 LEU A 16 38.730 26.957 11.347 1.00 29.49 H new ATOM 0 HB3 LEU A 16 37.740 28.266 11.963 1.00 29.49 H new ATOM 0 HG LEU A 16 36.205 28.032 9.995 1.00 29.11 H new ATOM 0 HD11 LEU A 16 36.435 26.077 8.500 1.00 29.81 H new ATOM 0 HD12 LEU A 16 37.842 27.159 8.367 1.00 29.81 H new ATOM 0 HD13 LEU A 16 37.967 25.645 9.294 1.00 29.81 H new ATOM 0 HD21 LEU A 16 35.229 25.843 10.700 1.00 25.98 H new ATOM 0 HD22 LEU A 16 36.752 25.433 11.524 1.00 25.98 H new ATOM 0 HD23 LEU A 16 35.760 26.789 12.111 1.00 25.98 H new ATOM 247 N LEU A 17 38.687 30.829 11.405 1.00 27.96 N ATOM 248 CA LEU A 17 38.256 32.229 11.660 1.00 28.93 C ATOM 249 C LEU A 17 38.737 33.091 10.484 1.00 30.06 C ATOM 250 O LEU A 17 38.091 34.037 10.077 1.00 30.41 O ATOM 251 CB LEU A 17 38.931 32.710 12.960 1.00 24.89 C ATOM 252 CG LEU A 17 38.104 33.814 13.650 1.00 25.03 C ATOM 253 CD1 LEU A 17 36.952 33.181 14.462 1.00 21.31 C ATOM 254 CD2 LEU A 17 39.009 34.661 14.596 1.00 20.22 C ATOM 0 H LEU A 17 39.299 30.434 12.119 1.00 27.96 H new ATOM 0 HA LEU A 17 37.173 32.300 11.758 1.00 28.93 H new ATOM 0 HB2 LEU A 17 39.055 31.867 13.640 1.00 24.89 H new ATOM 0 HB3 LEU A 17 39.929 33.088 12.735 1.00 24.89 H new ATOM 0 HG LEU A 17 37.688 34.467 12.882 1.00 25.03 H new ATOM 0 HD11 LEU A 17 36.373 33.968 14.946 1.00 21.31 H new ATOM 0 HD12 LEU A 17 36.305 32.613 13.794 1.00 21.31 H new ATOM 0 HD13 LEU A 17 37.364 32.515 15.220 1.00 21.31 H new ATOM 0 HD21 LEU A 17 38.410 35.436 15.075 1.00 20.22 H new ATOM 0 HD22 LEU A 17 39.444 34.015 15.359 1.00 20.22 H new ATOM 0 HD23 LEU A 17 39.807 35.126 14.017 1.00 20.22 H new ATOM 266 N GLU A 18 39.888 32.761 9.949 1.00 32.20 N ATOM 267 CA GLU A 18 40.457 33.537 8.812 1.00 35.35 C ATOM 268 C GLU A 18 39.831 33.049 7.496 1.00 35.74 C ATOM 269 O GLU A 18 39.452 33.834 6.650 1.00 35.74 O ATOM 270 CB GLU A 18 42.006 33.361 8.825 1.00 37.07 C ATOM 271 CG GLU A 18 42.507 32.425 7.708 1.00 39.76 C ATOM 272 CD GLU A 18 44.020 32.242 7.842 1.00 41.67 C ATOM 273 OE1 GLU A 18 44.647 33.092 8.452 1.00 43.25 O ATOM 274 OE2 GLU A 18 44.525 31.256 7.332 1.00 43.93 O ATOM 0 H GLU A 18 40.461 31.976 10.259 1.00 32.20 H new ATOM 0 HA GLU A 18 40.229 34.599 8.906 1.00 35.35 H new ATOM 0 HB2 GLU A 18 42.479 34.337 8.716 1.00 37.07 H new ATOM 0 HB3 GLU A 18 42.314 32.964 9.792 1.00 37.07 H new ATOM 0 HG2 GLU A 18 42.005 31.460 7.774 1.00 39.76 H new ATOM 0 HG3 GLU A 18 42.265 32.844 6.731 1.00 39.76 H new ATOM 281 N LYS A 19 39.724 31.761 7.320 1.00 37.19 N ATOM 282 CA LYS A 19 39.130 31.228 6.066 1.00 36.85 C ATOM 283 C LYS A 19 37.771 31.889 5.826 1.00 36.69 C ATOM 284 O LYS A 19 37.435 32.261 4.719 1.00 36.88 O ATOM 285 CB LYS A 19 38.972 29.717 6.186 1.00 36.86 C ATOM 286 CG LYS A 19 38.986 29.098 4.782 1.00 40.15 C ATOM 287 CD LYS A 19 38.394 27.710 4.853 1.00 41.50 C ATOM 288 CE LYS A 19 38.649 26.966 3.542 1.00 44.93 C ATOM 289 NZ LYS A 19 38.054 27.731 2.410 1.00 44.88 N ATOM 0 H LYS A 19 40.023 31.055 7.993 1.00 37.19 H new ATOM 0 HA LYS A 19 39.783 31.450 5.222 1.00 36.85 H new ATOM 0 HB2 LYS A 19 39.780 29.301 6.788 1.00 36.86 H new ATOM 0 HB3 LYS A 19 38.038 29.476 6.694 1.00 36.86 H new ATOM 0 HG2 LYS A 19 38.413 29.717 4.091 1.00 40.15 H new ATOM 0 HG3 LYS A 19 40.006 29.054 4.400 1.00 40.15 H new ATOM 0 HD2 LYS A 19 38.834 27.160 5.685 1.00 41.50 H new ATOM 0 HD3 LYS A 19 37.323 27.772 5.043 1.00 41.50 H new ATOM 0 HE2 LYS A 19 39.720 26.840 3.386 1.00 44.93 H new ATOM 0 HE3 LYS A 19 38.214 25.968 3.588 1.00 44.93 H new ATOM 0 HZ1 LYS A 19 37.999 27.121 1.570 1.00 44.88 H new ATOM 0 HZ2 LYS A 19 37.098 28.049 2.670 1.00 44.88 H new ATOM 0 HZ3 LYS A 19 38.648 28.558 2.199 1.00 44.88 H new ATOM 303 N PHE A 20 36.989 32.039 6.861 1.00 34.99 N ATOM 304 CA PHE A 20 35.651 32.676 6.721 1.00 34.93 C ATOM 305 C PHE A 20 35.738 34.131 7.182 1.00 34.32 C ATOM 306 O PHE A 20 34.762 34.854 7.176 1.00 35.01 O ATOM 307 CB PHE A 20 34.663 31.921 7.603 1.00 34.20 C ATOM 308 CG PHE A 20 34.290 30.619 6.944 1.00 33.79 C ATOM 309 CD1 PHE A 20 35.095 29.490 7.126 1.00 32.30 C ATOM 310 CD2 PHE A 20 33.146 30.543 6.143 1.00 34.75 C ATOM 311 CE1 PHE A 20 34.757 28.283 6.508 1.00 34.86 C ATOM 312 CE2 PHE A 20 32.807 29.338 5.522 1.00 35.66 C ATOM 313 CZ PHE A 20 33.614 28.207 5.704 1.00 35.69 C ATOM 0 H PHE A 20 37.225 31.743 7.808 1.00 34.99 H new ATOM 0 HA PHE A 20 35.323 32.646 5.682 1.00 34.93 H new ATOM 0 HB2 PHE A 20 35.105 31.732 8.581 1.00 34.20 H new ATOM 0 HB3 PHE A 20 33.771 32.526 7.767 1.00 34.20 H new ATOM 0 HD1 PHE A 20 35.978 29.551 7.744 1.00 32.30 H new ATOM 0 HD2 PHE A 20 32.525 31.415 6.004 1.00 34.75 H new ATOM 0 HE1 PHE A 20 35.377 27.410 6.651 1.00 34.86 H new ATOM 0 HE2 PHE A 20 31.924 29.278 4.903 1.00 35.66 H new ATOM 0 HZ PHE A 20 33.354 27.276 5.223 1.00 35.69 H new ATOM 323 N ARG A 21 36.905 34.560 7.579 1.00 34.35 N ATOM 324 CA ARG A 21 37.077 35.967 8.040 1.00 34.08 C ATOM 325 C ARG A 21 36.075 36.289 9.152 1.00 33.06 C ATOM 326 O ARG A 21 35.599 37.402 9.258 1.00 31.60 O ATOM 327 CB ARG A 21 36.850 36.923 6.861 1.00 37.64 C ATOM 328 CG ARG A 21 37.847 36.614 5.726 1.00 41.19 C ATOM 329 CD ARG A 21 39.152 37.394 5.939 1.00 45.12 C ATOM 330 NE ARG A 21 38.979 38.788 5.442 1.00 48.87 N ATOM 331 CZ ARG A 21 39.835 39.713 5.780 1.00 50.17 C ATOM 332 NH1 ARG A 21 40.838 39.420 6.561 1.00 52.38 N ATOM 333 NH2 ARG A 21 39.685 40.933 5.340 1.00 50.69 N ATOM 0 H ARG A 21 37.752 33.992 7.604 1.00 34.35 H new ATOM 0 HA ARG A 21 38.089 36.089 8.427 1.00 34.08 H new ATOM 0 HB2 ARG A 21 35.828 36.824 6.494 1.00 37.64 H new ATOM 0 HB3 ARG A 21 36.972 37.955 7.191 1.00 37.64 H new ATOM 0 HG2 ARG A 21 38.055 35.544 5.696 1.00 41.19 H new ATOM 0 HG3 ARG A 21 37.408 36.880 4.764 1.00 41.19 H new ATOM 0 HD2 ARG A 21 39.415 37.403 6.997 1.00 45.12 H new ATOM 0 HD3 ARG A 21 39.971 36.906 5.411 1.00 45.12 H new ATOM 0 HE ARG A 21 38.191 39.019 4.837 1.00 48.87 H new ATOM 0 HH11 ARG A 21 40.953 38.468 6.908 1.00 52.38 H new ATOM 0 HH12 ARG A 21 41.507 40.143 6.825 1.00 52.38 H new ATOM 0 HH21 ARG A 21 38.899 41.163 4.732 1.00 50.69 H new ATOM 0 HH22 ARG A 21 40.354 41.656 5.604 1.00 50.69 H new ATOM 347 N TYR A 22 35.750 35.339 9.989 1.00 30.22 N ATOM 348 CA TYR A 22 34.784 35.630 11.082 1.00 29.11 C ATOM 349 C TYR A 22 35.463 36.557 12.117 1.00 27.15 C ATOM 350 O TYR A 22 36.665 36.489 12.284 1.00 25.96 O ATOM 351 CB TYR A 22 34.400 34.315 11.777 1.00 27.09 C ATOM 352 CG TYR A 22 33.327 33.568 10.995 1.00 27.40 C ATOM 353 CD1 TYR A 22 32.088 34.171 10.708 1.00 26.95 C ATOM 354 CD2 TYR A 22 33.575 32.260 10.559 1.00 25.13 C ATOM 355 CE1 TYR A 22 31.116 33.467 9.988 1.00 26.07 C ATOM 356 CE2 TYR A 22 32.600 31.558 9.841 1.00 24.89 C ATOM 357 CZ TYR A 22 31.372 32.163 9.555 1.00 24.53 C ATOM 358 OH TYR A 22 30.411 31.471 8.846 1.00 21.93 O ATOM 0 H TYR A 22 36.109 34.385 9.962 1.00 30.22 H new ATOM 0 HA TYR A 22 33.895 36.109 10.672 1.00 29.11 H new ATOM 0 HB2 TYR A 22 35.283 33.684 11.880 1.00 27.09 H new ATOM 0 HB3 TYR A 22 34.039 34.525 12.784 1.00 27.09 H new ATOM 0 HD1 TYR A 22 31.887 35.178 11.044 1.00 26.95 H new ATOM 0 HD2 TYR A 22 34.523 31.791 10.778 1.00 25.13 H new ATOM 0 HE1 TYR A 22 30.167 33.932 9.767 1.00 26.07 H new ATOM 0 HE2 TYR A 22 32.796 30.549 9.508 1.00 24.89 H new ATOM 0 HH TYR A 22 30.627 31.497 7.891 1.00 21.93 H new ATOM 368 N PRO A 23 34.691 37.376 12.813 1.00 25.95 N ATOM 369 CA PRO A 23 35.255 38.265 13.848 1.00 26.49 C ATOM 370 C PRO A 23 36.026 37.426 14.881 1.00 26.35 C ATOM 371 O PRO A 23 36.039 36.215 14.824 1.00 24.48 O ATOM 372 CB PRO A 23 34.032 38.960 14.492 1.00 27.06 C ATOM 373 CG PRO A 23 32.763 38.460 13.743 1.00 29.61 C ATOM 374 CD PRO A 23 33.229 37.493 12.632 1.00 27.83 C ATOM 0 HA PRO A 23 35.956 38.995 13.444 1.00 26.49 H new ATOM 0 HB2 PRO A 23 33.970 38.721 15.554 1.00 27.06 H new ATOM 0 HB3 PRO A 23 34.121 40.044 14.414 1.00 27.06 H new ATOM 0 HG2 PRO A 23 32.086 37.955 14.432 1.00 29.61 H new ATOM 0 HG3 PRO A 23 32.215 39.299 13.315 1.00 29.61 H new ATOM 0 HD2 PRO A 23 32.741 36.523 12.724 1.00 27.83 H new ATOM 0 HD3 PRO A 23 32.984 37.881 11.643 1.00 27.83 H new ATOM 382 N TRP A 24 36.665 38.067 15.821 1.00 23.75 N ATOM 383 CA TRP A 24 37.432 37.313 16.858 1.00 24.21 C ATOM 384 C TRP A 24 36.477 36.777 17.932 1.00 24.68 C ATOM 385 O TRP A 24 36.844 35.944 18.737 1.00 22.18 O ATOM 386 CB TRP A 24 38.468 38.243 17.507 1.00 24.39 C ATOM 387 CG TRP A 24 39.092 37.561 18.687 1.00 26.00 C ATOM 388 CD1 TRP A 24 38.896 37.912 19.979 1.00 27.56 C ATOM 389 CD2 TRP A 24 39.999 36.420 18.707 1.00 24.99 C ATOM 390 NE1 TRP A 24 39.624 37.059 20.789 1.00 24.44 N ATOM 391 CE2 TRP A 24 40.321 36.122 20.052 1.00 27.17 C ATOM 392 CE3 TRP A 24 40.568 35.621 17.698 1.00 27.07 C ATOM 393 CZ2 TRP A 24 41.176 35.070 20.384 1.00 26.88 C ATOM 394 CZ3 TRP A 24 41.429 34.563 18.029 1.00 28.86 C ATOM 395 CH2 TRP A 24 41.731 34.288 19.370 1.00 27.85 C ATOM 0 H TRP A 24 36.690 39.082 15.917 1.00 23.75 H new ATOM 0 HA TRP A 24 37.941 36.473 16.385 1.00 24.21 H new ATOM 0 HB2 TRP A 24 39.236 38.510 16.781 1.00 24.39 H new ATOM 0 HB3 TRP A 24 37.991 39.171 17.822 1.00 24.39 H new ATOM 0 HD1 TRP A 24 38.273 38.725 20.322 1.00 27.56 H new ATOM 0 HE1 TRP A 24 39.644 37.115 21.807 1.00 24.44 H new ATOM 0 HE3 TRP A 24 40.341 35.823 16.662 1.00 27.07 H new ATOM 0 HZ2 TRP A 24 41.407 34.863 21.419 1.00 26.88 H new ATOM 0 HZ3 TRP A 24 41.861 33.957 17.246 1.00 28.86 H new ATOM 0 HH2 TRP A 24 42.393 33.471 19.618 1.00 27.85 H new ATOM 406 N GLU A 25 35.269 37.262 17.969 1.00 21.18 N ATOM 407 CA GLU A 25 34.311 36.795 19.012 1.00 25.10 C ATOM 408 C GLU A 25 33.696 35.439 18.637 1.00 23.53 C ATOM 409 O GLU A 25 33.065 34.804 19.457 1.00 22.15 O ATOM 410 CB GLU A 25 33.208 37.845 19.199 1.00 30.80 C ATOM 411 CG GLU A 25 32.387 38.021 17.895 1.00 38.77 C ATOM 412 CD GLU A 25 32.384 39.492 17.452 1.00 43.31 C ATOM 413 OE1 GLU A 25 33.447 40.090 17.442 1.00 46.36 O ATOM 414 OE2 GLU A 25 31.318 39.991 17.131 1.00 45.94 O ATOM 0 H GLU A 25 34.902 37.961 17.323 1.00 21.18 H new ATOM 0 HA GLU A 25 34.854 36.665 19.948 1.00 25.10 H new ATOM 0 HB2 GLU A 25 32.547 37.544 20.012 1.00 30.80 H new ATOM 0 HB3 GLU A 25 33.652 38.798 19.486 1.00 30.80 H new ATOM 0 HG2 GLU A 25 32.810 37.399 17.106 1.00 38.77 H new ATOM 0 HG3 GLU A 25 31.364 37.682 18.055 1.00 38.77 H new ATOM 421 N LEU A 26 33.853 34.987 17.413 1.00 21.26 N ATOM 422 CA LEU A 26 33.253 33.666 17.018 1.00 20.65 C ATOM 423 C LEU A 26 34.261 32.536 17.174 1.00 20.00 C ATOM 424 O LEU A 26 34.122 31.488 16.575 1.00 16.59 O ATOM 425 CB LEU A 26 32.780 33.719 15.571 1.00 23.25 C ATOM 426 CG LEU A 26 31.942 34.982 15.333 1.00 26.24 C ATOM 427 CD1 LEU A 26 31.181 34.831 14.020 1.00 29.07 C ATOM 428 CD2 LEU A 26 30.933 35.186 16.472 1.00 26.56 C ATOM 0 H LEU A 26 34.366 35.470 16.675 1.00 21.26 H new ATOM 0 HA LEU A 26 32.407 33.473 17.677 1.00 20.65 H new ATOM 0 HB2 LEU A 26 33.639 33.712 14.900 1.00 23.25 H new ATOM 0 HB3 LEU A 26 32.188 32.833 15.341 1.00 23.25 H new ATOM 0 HG LEU A 26 32.608 35.844 15.294 1.00 26.24 H new ATOM 0 HD11 LEU A 26 30.582 35.724 13.842 1.00 29.07 H new ATOM 0 HD12 LEU A 26 31.889 34.700 13.202 1.00 29.07 H new ATOM 0 HD13 LEU A 26 30.527 33.961 14.077 1.00 29.07 H new ATOM 0 HD21 LEU A 26 30.349 36.087 16.284 1.00 26.56 H new ATOM 0 HD22 LEU A 26 30.266 34.326 16.526 1.00 26.56 H new ATOM 0 HD23 LEU A 26 31.467 35.290 17.417 1.00 26.56 H new ATOM 440 N MET A 27 35.248 32.705 18.005 1.00 18.56 N ATOM 441 CA MET A 27 36.204 31.595 18.208 1.00 17.95 C ATOM 442 C MET A 27 35.477 30.418 18.896 1.00 17.26 C ATOM 443 O MET A 27 35.735 29.282 18.549 1.00 15.06 O ATOM 444 CB MET A 27 37.411 32.054 19.046 1.00 20.02 C ATOM 445 CG MET A 27 38.391 32.821 18.162 1.00 18.07 C ATOM 446 SD MET A 27 39.340 31.663 17.140 1.00 11.26 S ATOM 447 CE MET A 27 40.270 30.858 18.470 1.00 20.89 C ATOM 0 H MET A 27 35.430 33.552 18.544 1.00 18.56 H new ATOM 0 HA MET A 27 36.582 31.269 17.239 1.00 17.95 H new ATOM 0 HB2 MET A 27 37.076 32.687 19.868 1.00 20.02 H new ATOM 0 HB3 MET A 27 37.906 31.191 19.490 1.00 20.02 H new ATOM 0 HG2 MET A 27 37.849 33.521 17.526 1.00 18.07 H new ATOM 0 HG3 MET A 27 39.067 33.411 18.781 1.00 18.07 H new ATOM 0 HE1 MET A 27 41.153 30.373 18.054 1.00 20.89 H new ATOM 0 HE2 MET A 27 40.577 31.604 19.203 1.00 20.89 H new ATOM 0 HE3 MET A 27 39.640 30.112 18.954 1.00 20.89 H new ATOM 457 N PRO A 28 34.568 30.686 19.837 1.00 16.29 N ATOM 458 CA PRO A 28 33.831 29.595 20.500 1.00 17.09 C ATOM 459 C PRO A 28 33.059 28.800 19.441 1.00 15.81 C ATOM 460 O PRO A 28 32.928 27.605 19.529 1.00 16.73 O ATOM 461 CB PRO A 28 32.887 30.304 21.502 1.00 16.95 C ATOM 462 CG PRO A 28 33.363 31.774 21.589 1.00 18.75 C ATOM 463 CD PRO A 28 34.199 32.039 20.326 1.00 16.75 C ATOM 0 HA PRO A 28 34.474 28.883 21.017 1.00 17.09 H new ATOM 0 HB2 PRO A 28 31.852 30.251 21.164 1.00 16.95 H new ATOM 0 HB3 PRO A 28 32.928 29.824 22.480 1.00 16.95 H new ATOM 0 HG2 PRO A 28 32.513 32.454 21.641 1.00 18.75 H new ATOM 0 HG3 PRO A 28 33.957 31.937 22.488 1.00 18.75 H new ATOM 0 HD2 PRO A 28 33.627 32.589 19.579 1.00 16.75 H new ATOM 0 HD3 PRO A 28 35.083 32.635 20.552 1.00 16.75 H new ATOM 471 N LEU A 29 32.563 29.456 18.428 1.00 15.35 N ATOM 472 CA LEU A 29 31.823 28.722 17.364 1.00 15.54 C ATOM 473 C LEU A 29 32.834 27.993 16.480 1.00 15.13 C ATOM 474 O LEU A 29 32.783 26.788 16.335 1.00 14.57 O ATOM 475 CB LEU A 29 31.007 29.712 16.534 1.00 15.26 C ATOM 476 CG LEU A 29 30.202 30.619 17.468 1.00 13.96 C ATOM 477 CD1 LEU A 29 29.293 31.515 16.625 1.00 15.02 C ATOM 478 CD2 LEU A 29 29.349 29.762 18.420 1.00 15.96 C ATOM 0 H LEU A 29 32.638 30.464 18.292 1.00 15.35 H new ATOM 0 HA LEU A 29 31.141 27.997 17.809 1.00 15.54 H new ATOM 0 HB2 LEU A 29 31.669 30.311 15.909 1.00 15.26 H new ATOM 0 HB3 LEU A 29 30.336 29.175 15.864 1.00 15.26 H new ATOM 0 HG LEU A 29 30.881 31.233 18.060 1.00 13.96 H new ATOM 0 HD11 LEU A 29 28.714 32.166 17.281 1.00 15.02 H new ATOM 0 HD12 LEU A 29 29.901 32.123 15.955 1.00 15.02 H new ATOM 0 HD13 LEU A 29 28.615 30.896 16.038 1.00 15.02 H new ATOM 0 HD21 LEU A 29 28.778 30.413 19.082 1.00 15.96 H new ATOM 0 HD22 LEU A 29 28.664 29.145 17.839 1.00 15.96 H new ATOM 0 HD23 LEU A 29 30.000 29.121 19.014 1.00 15.96 H new ATOM 490 N MET A 30 33.776 28.701 15.911 1.00 15.06 N ATOM 491 CA MET A 30 34.805 28.022 15.073 1.00 12.45 C ATOM 492 C MET A 30 35.366 26.852 15.885 1.00 12.90 C ATOM 493 O MET A 30 35.657 25.791 15.369 1.00 14.81 O ATOM 494 CB MET A 30 35.939 29.012 14.762 1.00 15.01 C ATOM 495 CG MET A 30 35.617 29.828 13.515 1.00 12.65 C ATOM 496 SD MET A 30 34.098 30.780 13.784 1.00 8.44 S ATOM 497 CE MET A 30 33.045 29.941 12.574 1.00 27.75 C ATOM 0 H MET A 30 33.876 29.713 15.990 1.00 15.06 H new ATOM 0 HA MET A 30 34.370 27.670 14.138 1.00 12.45 H new ATOM 0 HB2 MET A 30 36.088 29.680 15.611 1.00 15.01 H new ATOM 0 HB3 MET A 30 36.873 28.469 14.616 1.00 15.01 H new ATOM 0 HG2 MET A 30 36.443 30.501 13.285 1.00 12.65 H new ATOM 0 HG3 MET A 30 35.496 29.167 12.657 1.00 12.65 H new ATOM 0 HE1 MET A 30 32.208 30.587 12.310 1.00 27.75 H new ATOM 0 HE2 MET A 30 33.626 29.717 11.680 1.00 27.75 H new ATOM 0 HE3 MET A 30 32.666 29.013 13.003 1.00 27.75 H new ATOM 507 N TYR A 31 35.512 27.060 17.164 1.00 13.07 N ATOM 508 CA TYR A 31 36.048 25.993 18.051 1.00 15.35 C ATOM 509 C TYR A 31 35.127 24.764 17.999 1.00 16.32 C ATOM 510 O TYR A 31 35.543 23.677 17.656 1.00 15.86 O ATOM 511 CB TYR A 31 36.119 26.527 19.487 1.00 14.82 C ATOM 512 CG TYR A 31 36.508 25.417 20.435 1.00 17.46 C ATOM 513 CD1 TYR A 31 35.525 24.558 20.943 1.00 20.04 C ATOM 514 CD2 TYR A 31 37.848 25.250 20.815 1.00 19.91 C ATOM 515 CE1 TYR A 31 35.875 23.535 21.826 1.00 21.64 C ATOM 516 CE2 TYR A 31 38.197 24.222 21.696 1.00 22.38 C ATOM 517 CZ TYR A 31 37.212 23.365 22.203 1.00 23.93 C ATOM 518 OH TYR A 31 37.560 22.354 23.076 1.00 30.09 O ATOM 0 H TYR A 31 35.280 27.934 17.636 1.00 13.07 H new ATOM 0 HA TYR A 31 37.044 25.703 17.717 1.00 15.35 H new ATOM 0 HB2 TYR A 31 36.845 27.338 19.546 1.00 14.82 H new ATOM 0 HB3 TYR A 31 35.154 26.942 19.777 1.00 14.82 H new ATOM 0 HD1 TYR A 31 34.493 24.688 20.651 1.00 20.04 H new ATOM 0 HD2 TYR A 31 38.608 25.913 20.428 1.00 19.91 H new ATOM 0 HE1 TYR A 31 35.115 22.875 22.218 1.00 21.64 H new ATOM 0 HE2 TYR A 31 39.229 24.088 21.986 1.00 22.38 H new ATOM 0 HH TYR A 31 38.527 22.375 23.232 1.00 30.09 H new ATOM 528 N VAL A 32 33.879 24.929 18.347 1.00 16.31 N ATOM 529 CA VAL A 32 32.934 23.772 18.332 1.00 13.79 C ATOM 530 C VAL A 32 32.902 23.121 16.948 1.00 15.33 C ATOM 531 O VAL A 32 33.076 21.927 16.817 1.00 15.78 O ATOM 532 CB VAL A 32 31.528 24.257 18.691 1.00 15.68 C ATOM 533 CG1 VAL A 32 30.573 23.065 18.711 1.00 14.40 C ATOM 534 CG2 VAL A 32 31.543 24.921 20.074 1.00 13.96 C ATOM 0 H VAL A 32 33.471 25.816 18.642 1.00 16.31 H new ATOM 0 HA VAL A 32 33.274 23.036 19.061 1.00 13.79 H new ATOM 0 HB VAL A 32 31.196 24.983 17.948 1.00 15.68 H new ATOM 0 HG11 VAL A 32 29.570 23.407 18.966 1.00 14.40 H new ATOM 0 HG12 VAL A 32 30.557 22.595 17.728 1.00 14.40 H new ATOM 0 HG13 VAL A 32 30.910 22.341 19.453 1.00 14.40 H new ATOM 0 HG21 VAL A 32 30.539 25.264 20.324 1.00 13.96 H new ATOM 0 HG22 VAL A 32 31.876 24.200 20.820 1.00 13.96 H new ATOM 0 HG23 VAL A 32 32.225 25.772 20.062 1.00 13.96 H new ATOM 544 N ILE A 33 32.673 23.887 15.914 1.00 13.65 N ATOM 545 CA ILE A 33 32.622 23.298 14.545 1.00 13.17 C ATOM 546 C ILE A 33 33.798 22.324 14.352 1.00 15.24 C ATOM 547 O ILE A 33 33.622 21.185 13.968 1.00 15.62 O ATOM 548 CB ILE A 33 32.683 24.452 13.533 1.00 15.80 C ATOM 549 CG1 ILE A 33 31.307 25.148 13.502 1.00 14.63 C ATOM 550 CG2 ILE A 33 33.026 23.917 12.141 1.00 15.09 C ATOM 551 CD1 ILE A 33 31.384 26.507 12.787 1.00 15.66 C ATOM 0 H ILE A 33 32.519 24.894 15.959 1.00 13.65 H new ATOM 0 HA ILE A 33 31.701 22.734 14.398 1.00 13.17 H new ATOM 0 HB ILE A 33 33.456 25.161 13.829 1.00 15.80 H new ATOM 0 HG12 ILE A 33 30.585 24.508 12.995 1.00 14.63 H new ATOM 0 HG13 ILE A 33 30.946 25.291 14.521 1.00 14.63 H new ATOM 0 HG21 ILE A 33 33.066 24.745 11.433 1.00 15.09 H new ATOM 0 HG22 ILE A 33 33.995 23.418 12.171 1.00 15.09 H new ATOM 0 HG23 ILE A 33 32.262 23.207 11.826 1.00 15.09 H new ATOM 0 HD11 ILE A 33 30.398 26.972 12.782 1.00 15.66 H new ATOM 0 HD12 ILE A 33 32.088 27.154 13.310 1.00 15.66 H new ATOM 0 HD13 ILE A 33 31.721 26.360 11.761 1.00 15.66 H new ATOM 563 N LEU A 34 34.983 22.769 14.635 1.00 16.71 N ATOM 564 CA LEU A 34 36.194 21.900 14.502 1.00 19.71 C ATOM 565 C LEU A 34 36.039 20.668 15.416 1.00 20.61 C ATOM 566 O LEU A 34 36.478 19.584 15.087 1.00 22.08 O ATOM 567 CB LEU A 34 37.416 22.758 14.951 1.00 19.59 C ATOM 568 CG LEU A 34 38.385 23.261 13.802 1.00 26.84 C ATOM 569 CD1 LEU A 34 37.916 22.960 12.371 1.00 24.93 C ATOM 570 CD2 LEU A 34 38.576 24.784 13.924 1.00 27.25 C ATOM 0 H LEU A 34 35.175 23.717 14.960 1.00 16.71 H new ATOM 0 HA LEU A 34 36.327 21.550 13.478 1.00 19.71 H new ATOM 0 HB2 LEU A 34 37.042 23.630 15.488 1.00 19.59 H new ATOM 0 HB3 LEU A 34 38.002 22.173 15.660 1.00 19.59 H new ATOM 0 HG LEU A 34 39.311 22.705 13.951 1.00 26.84 H new ATOM 0 HD11 LEU A 34 38.647 23.344 11.660 1.00 24.93 H new ATOM 0 HD12 LEU A 34 37.814 21.883 12.240 1.00 24.93 H new ATOM 0 HD13 LEU A 34 36.953 23.439 12.195 1.00 24.93 H new ATOM 0 HD21 LEU A 34 39.242 25.132 13.134 1.00 27.25 H new ATOM 0 HD22 LEU A 34 37.610 25.281 13.829 1.00 27.25 H new ATOM 0 HD23 LEU A 34 39.011 25.020 14.895 1.00 27.25 H new ATOM 582 N LYS A 35 35.433 20.829 16.557 1.00 19.14 N ATOM 583 CA LYS A 35 35.266 19.669 17.490 1.00 20.97 C ATOM 584 C LYS A 35 34.490 18.555 16.797 1.00 22.25 C ATOM 585 O LYS A 35 34.661 17.387 17.084 1.00 22.80 O ATOM 586 CB LYS A 35 34.498 20.124 18.738 1.00 22.98 C ATOM 587 CG LYS A 35 34.553 19.026 19.802 1.00 26.83 C ATOM 588 CD LYS A 35 33.866 19.516 21.080 1.00 29.91 C ATOM 589 CE LYS A 35 34.248 18.606 22.249 1.00 33.36 C ATOM 590 NZ LYS A 35 34.244 17.187 21.797 1.00 35.88 N ATOM 0 H LYS A 35 35.044 21.712 16.889 1.00 19.14 H new ATOM 0 HA LYS A 35 36.249 19.297 17.779 1.00 20.97 H new ATOM 0 HB2 LYS A 35 34.931 21.045 19.128 1.00 22.98 H new ATOM 0 HB3 LYS A 35 33.462 20.343 18.480 1.00 22.98 H new ATOM 0 HG2 LYS A 35 34.062 18.125 19.435 1.00 26.83 H new ATOM 0 HG3 LYS A 35 35.589 18.761 20.013 1.00 26.83 H new ATOM 0 HD2 LYS A 35 34.162 20.543 21.293 1.00 29.91 H new ATOM 0 HD3 LYS A 35 32.784 19.518 20.946 1.00 29.91 H new ATOM 0 HE2 LYS A 35 35.234 18.876 22.626 1.00 33.36 H new ATOM 0 HE3 LYS A 35 33.545 18.739 23.071 1.00 33.36 H new ATOM 0 HZ1 LYS A 35 34.131 16.561 22.620 1.00 35.88 H new ATOM 0 HZ2 LYS A 35 33.456 17.036 21.135 1.00 35.88 H new ATOM 0 HZ3 LYS A 35 35.143 16.972 21.320 1.00 35.88 H new ATOM 604 N ASP A 36 33.627 18.912 15.899 1.00 20.87 N ATOM 605 CA ASP A 36 32.811 17.894 15.183 1.00 18.89 C ATOM 606 C ASP A 36 33.560 17.383 13.952 1.00 17.97 C ATOM 607 O ASP A 36 33.522 16.214 13.623 1.00 19.23 O ATOM 608 CB ASP A 36 31.510 18.562 14.754 1.00 16.73 C ATOM 609 CG ASP A 36 31.025 19.465 15.893 1.00 19.06 C ATOM 610 OD1 ASP A 36 30.819 18.953 16.981 1.00 14.84 O ATOM 611 OD2 ASP A 36 30.868 20.651 15.655 1.00 17.75 O ATOM 0 H ASP A 36 33.447 19.877 15.624 1.00 20.87 H new ATOM 0 HA ASP A 36 32.612 17.044 15.836 1.00 18.89 H new ATOM 0 HB2 ASP A 36 31.666 19.147 13.848 1.00 16.73 H new ATOM 0 HB3 ASP A 36 30.757 17.809 14.521 1.00 16.73 H new ATOM 616 N ALA A 37 34.219 18.262 13.262 1.00 19.53 N ATOM 617 CA ALA A 37 34.957 17.867 12.032 1.00 20.29 C ATOM 618 C ALA A 37 36.329 17.305 12.393 1.00 23.93 C ATOM 619 O ALA A 37 37.292 17.506 11.681 1.00 23.82 O ATOM 620 CB ALA A 37 35.129 19.118 11.177 1.00 19.16 C ATOM 0 H ALA A 37 34.280 19.252 13.499 1.00 19.53 H new ATOM 0 HA ALA A 37 34.404 17.098 11.493 1.00 20.29 H new ATOM 0 HB1 ALA A 37 35.668 18.864 10.264 1.00 19.16 H new ATOM 0 HB2 ALA A 37 34.149 19.520 10.920 1.00 19.16 H new ATOM 0 HB3 ALA A 37 35.693 19.865 11.735 1.00 19.16 H new ATOM 626 N ASP A 38 36.441 16.621 13.489 1.00 25.04 N ATOM 627 CA ASP A 38 37.771 16.083 13.864 1.00 29.02 C ATOM 628 C ASP A 38 38.757 17.252 13.910 1.00 30.09 C ATOM 629 O ASP A 38 39.956 17.074 13.974 1.00 29.56 O ATOM 630 CB ASP A 38 38.217 15.057 12.813 1.00 31.78 C ATOM 631 CG ASP A 38 39.261 14.112 13.417 1.00 34.21 C ATOM 632 OD1 ASP A 38 40.393 14.537 13.578 1.00 39.08 O ATOM 633 OD2 ASP A 38 38.909 12.981 13.709 1.00 37.98 O ATOM 0 H ASP A 38 35.680 16.412 14.135 1.00 25.04 H new ATOM 0 HA ASP A 38 37.730 15.592 14.836 1.00 29.02 H new ATOM 0 HB2 ASP A 38 37.357 14.486 12.461 1.00 31.78 H new ATOM 0 HB3 ASP A 38 38.635 15.569 11.947 1.00 31.78 H new ATOM 638 N ALA A 39 38.237 18.450 13.873 1.00 30.33 N ATOM 639 CA ALA A 39 39.095 19.662 13.909 1.00 32.12 C ATOM 640 C ALA A 39 39.761 19.869 12.544 1.00 33.86 C ATOM 641 O ALA A 39 40.603 20.730 12.380 1.00 34.96 O ATOM 642 CB ALA A 39 40.149 19.507 15.010 1.00 32.67 C ATOM 0 H ALA A 39 37.236 18.639 13.818 1.00 30.33 H new ATOM 0 HA ALA A 39 38.485 20.538 14.129 1.00 32.12 H new ATOM 0 HB1 ALA A 39 40.780 20.396 15.038 1.00 32.67 H new ATOM 0 HB2 ALA A 39 39.654 19.383 15.973 1.00 32.67 H new ATOM 0 HB3 ALA A 39 40.765 18.632 14.804 1.00 32.67 H new ATOM 648 N ASN A 40 39.380 19.098 11.559 1.00 33.92 N ATOM 649 CA ASN A 40 39.983 19.270 10.204 1.00 34.20 C ATOM 650 C ASN A 40 39.227 20.378 9.470 1.00 34.98 C ATOM 651 O ASN A 40 38.108 20.197 9.033 1.00 32.10 O ATOM 652 CB ASN A 40 39.875 17.961 9.414 1.00 33.87 C ATOM 653 CG ASN A 40 40.840 17.992 8.227 1.00 32.69 C ATOM 654 OD1 ASN A 40 41.023 19.019 7.605 1.00 34.27 O ATOM 655 ND2 ASN A 40 41.469 16.901 7.885 1.00 33.64 N ATOM 0 H ASN A 40 38.680 18.360 11.633 1.00 33.92 H new ATOM 0 HA ASN A 40 41.036 19.536 10.300 1.00 34.20 H new ATOM 0 HB2 ASN A 40 40.107 17.115 10.061 1.00 33.87 H new ATOM 0 HB3 ASN A 40 38.853 17.822 9.061 1.00 33.87 H new ATOM 0 HD21 ASN A 40 42.114 16.911 7.095 1.00 33.64 H new ATOM 0 HD22 ASN A 40 41.315 16.039 8.407 1.00 33.64 H new ATOM 662 N ILE A 41 39.831 21.526 9.342 1.00 35.49 N ATOM 663 CA ILE A 41 39.162 22.665 8.649 1.00 37.55 C ATOM 664 C ILE A 41 38.478 22.179 7.371 1.00 36.60 C ATOM 665 O ILE A 41 37.341 22.506 7.104 1.00 34.64 O ATOM 666 CB ILE A 41 40.223 23.718 8.307 1.00 39.67 C ATOM 667 CG1 ILE A 41 40.675 24.367 9.631 1.00 42.22 C ATOM 668 CG2 ILE A 41 39.656 24.772 7.309 1.00 40.78 C ATOM 669 CD1 ILE A 41 41.679 25.501 9.385 1.00 44.19 C ATOM 0 H ILE A 41 40.768 21.727 9.691 1.00 35.49 H new ATOM 0 HA ILE A 41 38.403 23.098 9.300 1.00 37.55 H new ATOM 0 HB ILE A 41 41.078 23.258 7.812 1.00 39.67 H new ATOM 0 HG12 ILE A 41 39.806 24.757 10.162 1.00 42.22 H new ATOM 0 HG13 ILE A 41 41.128 23.611 10.272 1.00 42.22 H new ATOM 0 HG21 ILE A 41 40.426 25.509 7.081 1.00 40.78 H new ATOM 0 HG22 ILE A 41 39.347 24.274 6.390 1.00 40.78 H new ATOM 0 HG23 ILE A 41 38.797 25.272 7.757 1.00 40.78 H new ATOM 0 HD11 ILE A 41 41.977 25.937 10.339 1.00 44.19 H new ATOM 0 HD12 ILE A 41 42.558 25.105 8.877 1.00 44.19 H new ATOM 0 HD13 ILE A 41 41.216 26.268 8.764 1.00 44.19 H new ATOM 681 N GLU A 42 39.158 21.414 6.577 1.00 37.01 N ATOM 682 CA GLU A 42 38.540 20.925 5.319 1.00 36.07 C ATOM 683 C GLU A 42 37.193 20.269 5.625 1.00 33.02 C ATOM 684 O GLU A 42 36.186 20.586 5.023 1.00 31.66 O ATOM 685 CB GLU A 42 39.474 19.907 4.668 1.00 40.46 C ATOM 686 CG GLU A 42 40.801 20.588 4.326 1.00 45.44 C ATOM 687 CD GLU A 42 41.709 19.600 3.591 1.00 49.08 C ATOM 688 OE1 GLU A 42 41.604 18.415 3.862 1.00 50.84 O ATOM 689 OE2 GLU A 42 42.495 20.045 2.771 1.00 51.71 O ATOM 0 H GLU A 42 40.116 21.104 6.742 1.00 37.01 H new ATOM 0 HA GLU A 42 38.379 21.762 4.640 1.00 36.07 H new ATOM 0 HB2 GLU A 42 39.645 19.069 5.343 1.00 40.46 H new ATOM 0 HB3 GLU A 42 39.017 19.501 3.766 1.00 40.46 H new ATOM 0 HG2 GLU A 42 40.622 21.465 3.704 1.00 45.44 H new ATOM 0 HG3 GLU A 42 41.288 20.937 5.237 1.00 45.44 H new ATOM 696 N GLU A 43 37.166 19.359 6.555 1.00 29.75 N ATOM 697 CA GLU A 43 35.882 18.684 6.898 1.00 27.99 C ATOM 698 C GLU A 43 34.988 19.654 7.673 1.00 25.26 C ATOM 699 O GLU A 43 33.778 19.539 7.662 1.00 22.77 O ATOM 700 CB GLU A 43 36.169 17.447 7.753 1.00 30.94 C ATOM 701 CG GLU A 43 34.868 16.687 8.018 1.00 33.24 C ATOM 702 CD GLU A 43 35.192 15.299 8.576 1.00 37.98 C ATOM 703 OE1 GLU A 43 36.329 15.090 8.966 1.00 43.17 O ATOM 704 OE2 GLU A 43 34.297 14.470 8.604 1.00 38.40 O ATOM 0 H GLU A 43 37.976 19.052 7.094 1.00 29.75 H new ATOM 0 HA GLU A 43 35.373 18.379 5.984 1.00 27.99 H new ATOM 0 HB2 GLU A 43 36.882 16.799 7.244 1.00 30.94 H new ATOM 0 HB3 GLU A 43 36.626 17.744 8.697 1.00 30.94 H new ATOM 0 HG2 GLU A 43 34.249 17.239 8.725 1.00 33.24 H new ATOM 0 HG3 GLU A 43 34.294 16.595 7.096 1.00 33.24 H new ATOM 711 N ALA A 44 35.570 20.614 8.347 1.00 22.98 N ATOM 712 CA ALA A 44 34.745 21.590 9.120 1.00 23.88 C ATOM 713 C ALA A 44 34.214 22.668 8.169 1.00 22.87 C ATOM 714 O ALA A 44 33.057 23.035 8.215 1.00 22.85 O ATOM 715 CB ALA A 44 35.603 22.217 10.244 1.00 22.28 C ATOM 0 H ALA A 44 36.578 20.763 8.395 1.00 22.98 H new ATOM 0 HA ALA A 44 33.897 21.082 9.579 1.00 23.88 H new ATOM 0 HB1 ALA A 44 35.000 22.929 10.808 1.00 22.28 H new ATOM 0 HB2 ALA A 44 35.957 21.432 10.912 1.00 22.28 H new ATOM 0 HB3 ALA A 44 36.457 22.732 9.805 1.00 22.28 H new ATOM 721 N SER A 45 35.048 23.168 7.308 1.00 25.55 N ATOM 722 CA SER A 45 34.598 24.216 6.352 1.00 26.34 C ATOM 723 C SER A 45 33.426 23.683 5.527 1.00 26.21 C ATOM 724 O SER A 45 32.428 24.351 5.343 1.00 23.95 O ATOM 725 CB SER A 45 35.754 24.571 5.420 1.00 29.82 C ATOM 726 OG SER A 45 35.752 23.681 4.311 1.00 33.07 O ATOM 0 H SER A 45 36.027 22.896 7.223 1.00 25.55 H new ATOM 0 HA SER A 45 34.281 25.103 6.901 1.00 26.34 H new ATOM 0 HB2 SER A 45 35.656 25.600 5.075 1.00 29.82 H new ATOM 0 HB3 SER A 45 36.702 24.503 5.954 1.00 29.82 H new ATOM 0 HG SER A 45 36.492 23.907 3.709 1.00 33.07 H new ATOM 732 N ARG A 46 33.541 22.484 5.024 1.00 26.25 N ATOM 733 CA ARG A 46 32.438 21.908 4.204 1.00 26.19 C ATOM 734 C ARG A 46 31.103 22.098 4.930 1.00 24.78 C ATOM 735 O ARG A 46 30.095 22.395 4.321 1.00 20.51 O ATOM 736 CB ARG A 46 32.698 20.415 3.968 1.00 30.93 C ATOM 737 CG ARG A 46 33.759 20.249 2.875 1.00 37.66 C ATOM 738 CD ARG A 46 34.237 18.796 2.833 1.00 43.41 C ATOM 739 NE ARG A 46 33.069 17.888 2.660 1.00 47.39 N ATOM 740 CZ ARG A 46 33.256 16.652 2.284 1.00 49.82 C ATOM 741 NH1 ARG A 46 34.465 16.213 2.064 1.00 51.10 N ATOM 742 NH2 ARG A 46 32.234 15.854 2.129 1.00 51.02 N ATOM 0 H ARG A 46 34.352 21.878 5.146 1.00 26.25 H new ATOM 0 HA ARG A 46 32.396 22.419 3.242 1.00 26.19 H new ATOM 0 HB2 ARG A 46 33.034 19.943 4.891 1.00 30.93 H new ATOM 0 HB3 ARG A 46 31.775 19.916 3.673 1.00 30.93 H new ATOM 0 HG2 ARG A 46 33.345 20.533 1.908 1.00 37.66 H new ATOM 0 HG3 ARG A 46 34.601 20.913 3.069 1.00 37.66 H new ATOM 0 HD2 ARG A 46 34.941 18.658 2.013 1.00 43.41 H new ATOM 0 HD3 ARG A 46 34.767 18.551 3.753 1.00 43.41 H new ATOM 0 HE ARG A 46 32.125 18.231 2.835 1.00 47.39 H new ATOM 0 HH11 ARG A 46 35.264 16.836 2.186 1.00 51.10 H new ATOM 0 HH12 ARG A 46 34.611 15.247 1.770 1.00 51.10 H new ATOM 0 HH21 ARG A 46 31.289 16.196 2.302 1.00 51.02 H new ATOM 0 HH22 ARG A 46 32.381 14.888 1.835 1.00 51.02 H new ATOM 756 N ARG A 47 31.084 21.936 6.225 1.00 20.40 N ATOM 757 CA ARG A 47 29.804 22.121 6.970 1.00 20.79 C ATOM 758 C ARG A 47 29.405 23.590 6.897 1.00 20.46 C ATOM 759 O ARG A 47 28.367 23.940 6.371 1.00 20.27 O ATOM 760 CB ARG A 47 29.981 21.733 8.445 1.00 18.12 C ATOM 761 CG ARG A 47 30.684 20.377 8.576 1.00 19.83 C ATOM 762 CD ARG A 47 31.127 20.190 10.032 1.00 24.63 C ATOM 763 NE ARG A 47 31.946 18.940 10.168 1.00 25.15 N ATOM 764 CZ ARG A 47 31.469 17.765 9.852 1.00 28.72 C ATOM 765 NH1 ARG A 47 30.210 17.621 9.544 1.00 25.84 N ATOM 766 NH2 ARG A 47 32.248 16.720 9.892 1.00 22.33 N ATOM 0 H ARG A 47 31.891 21.686 6.796 1.00 20.40 H new ATOM 0 HA ARG A 47 29.037 21.488 6.524 1.00 20.79 H new ATOM 0 HB2 ARG A 47 30.562 22.499 8.959 1.00 18.12 H new ATOM 0 HB3 ARG A 47 29.007 21.690 8.933 1.00 18.12 H new ATOM 0 HG2 ARG A 47 30.011 19.572 8.280 1.00 19.83 H new ATOM 0 HG3 ARG A 47 31.546 20.333 7.910 1.00 19.83 H new ATOM 0 HD2 ARG A 47 31.710 21.052 10.356 1.00 24.63 H new ATOM 0 HD3 ARG A 47 30.253 20.133 10.681 1.00 24.63 H new ATOM 0 HE ARG A 47 32.902 19.009 10.517 1.00 25.15 H new ATOM 0 HH11 ARG A 47 29.588 18.430 9.548 1.00 25.84 H new ATOM 0 HH12 ARG A 47 29.847 16.700 9.299 1.00 25.84 H new ATOM 0 HH21 ARG A 47 33.224 16.822 10.169 1.00 22.33 H new ATOM 0 HH22 ARG A 47 31.881 15.801 9.646 1.00 22.33 H new ATOM 780 N ILE A 48 30.239 24.452 7.410 1.00 19.14 N ATOM 781 CA ILE A 48 29.946 25.914 7.369 1.00 21.78 C ATOM 782 C ILE A 48 29.473 26.272 5.970 1.00 25.27 C ATOM 783 O ILE A 48 28.392 26.786 5.773 1.00 23.94 O ATOM 784 CB ILE A 48 31.226 26.678 7.689 1.00 20.97 C ATOM 785 CG1 ILE A 48 31.807 26.123 8.990 1.00 21.08 C ATOM 786 CG2 ILE A 48 30.906 28.164 7.848 1.00 21.08 C ATOM 787 CD1 ILE A 48 32.973 26.997 9.467 1.00 19.82 C ATOM 0 H ILE A 48 31.120 24.204 7.860 1.00 19.14 H new ATOM 0 HA ILE A 48 29.176 26.173 8.095 1.00 21.78 H new ATOM 0 HB ILE A 48 31.950 26.561 6.883 1.00 20.97 H new ATOM 0 HG12 ILE A 48 31.033 26.088 9.756 1.00 21.08 H new ATOM 0 HG13 ILE A 48 32.150 25.100 8.836 1.00 21.08 H new ATOM 0 HG21 ILE A 48 31.821 28.711 8.077 1.00 21.08 H new ATOM 0 HG22 ILE A 48 30.478 28.545 6.921 1.00 21.08 H new ATOM 0 HG23 ILE A 48 30.191 28.297 8.660 1.00 21.08 H new ATOM 0 HD11 ILE A 48 33.377 26.590 10.394 1.00 19.82 H new ATOM 0 HD12 ILE A 48 33.753 27.010 8.706 1.00 19.82 H new ATOM 0 HD13 ILE A 48 32.619 28.013 9.641 1.00 19.82 H new ATOM 799 N GLU A 49 30.278 25.975 5.000 1.00 26.87 N ATOM 800 CA GLU A 49 29.907 26.264 3.591 1.00 31.21 C ATOM 801 C GLU A 49 28.470 25.845 3.335 1.00 31.88 C ATOM 802 O GLU A 49 27.616 26.653 3.026 1.00 31.73 O ATOM 803 CB GLU A 49 30.784 25.418 2.689 1.00 32.85 C ATOM 804 CG GLU A 49 32.193 26.010 2.604 1.00 36.76 C ATOM 805 CD GLU A 49 32.960 25.337 1.465 1.00 40.40 C ATOM 806 OE1 GLU A 49 33.396 24.213 1.653 1.00 43.41 O ATOM 807 OE2 GLU A 49 33.101 25.958 0.424 1.00 40.28 O ATOM 0 H GLU A 49 31.191 25.538 5.122 1.00 26.87 H new ATOM 0 HA GLU A 49 30.029 27.330 3.399 1.00 31.21 H new ATOM 0 HB2 GLU A 49 30.834 24.399 3.072 1.00 32.85 H new ATOM 0 HB3 GLU A 49 30.345 25.363 1.693 1.00 32.85 H new ATOM 0 HG2 GLU A 49 32.138 27.085 2.434 1.00 36.76 H new ATOM 0 HG3 GLU A 49 32.719 25.863 3.548 1.00 36.76 H new ATOM 814 N GLU A 50 28.194 24.575 3.477 1.00 32.05 N ATOM 815 CA GLU A 50 26.809 24.098 3.257 1.00 30.33 C ATOM 816 C GLU A 50 25.918 24.976 4.105 1.00 29.99 C ATOM 817 O GLU A 50 24.899 25.433 3.682 1.00 26.76 O ATOM 818 CB GLU A 50 26.704 22.622 3.692 1.00 33.38 C ATOM 819 CG GLU A 50 25.601 21.905 2.900 1.00 33.45 C ATOM 820 CD GLU A 50 25.642 20.408 3.214 1.00 36.89 C ATOM 821 OE1 GLU A 50 26.715 19.833 3.124 1.00 36.13 O ATOM 822 OE2 GLU A 50 24.601 19.862 3.540 1.00 35.55 O ATOM 0 H GLU A 50 28.869 23.855 3.735 1.00 32.05 H new ATOM 0 HA GLU A 50 26.516 24.155 2.209 1.00 30.33 H new ATOM 0 HB2 GLU A 50 27.659 22.121 3.532 1.00 33.38 H new ATOM 0 HB3 GLU A 50 26.489 22.566 4.759 1.00 33.38 H new ATOM 0 HG2 GLU A 50 24.625 22.316 3.160 1.00 33.45 H new ATOM 0 HG3 GLU A 50 25.741 22.068 1.831 1.00 33.45 H new ATOM 829 N GLY A 51 26.361 25.245 5.288 1.00 0.00 N ATOM 830 CA GLY A 51 25.598 26.120 6.211 1.00 0.00 C ATOM 831 C GLY A 51 25.349 27.491 5.561 1.00 0.00 C ATOM 832 O GLY A 51 24.232 27.920 5.366 1.00 0.00 O ATOM 0 H GLY A 51 27.239 24.889 5.667 1.00 0.00 H new ATOM 0 HA2 GLY A 51 24.647 25.652 6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 51 26.149 26.246 7.143 1.00 0.00 H new ATOM 836 N GLN A 52 26.401 28.193 5.240 1.00 29.60 N ATOM 837 CA GLN A 52 26.244 29.543 4.615 1.00 32.81 C ATOM 838 C GLN A 52 25.257 29.428 3.470 1.00 33.63 C ATOM 839 O GLN A 52 24.303 30.173 3.361 1.00 32.37 O ATOM 840 CB GLN A 52 27.589 30.020 4.056 1.00 32.81 C ATOM 841 CG GLN A 52 28.692 29.903 5.126 1.00 34.44 C ATOM 842 CD GLN A 52 28.814 31.204 5.921 1.00 35.84 C ATOM 843 OE1 GLN A 52 29.991 31.578 6.342 1.00 36.29 O flip ATOM 844 NE2 GLN A 52 27.835 31.883 6.160 1.00 38.34 N flip ATOM 0 H GLN A 52 27.365 27.892 5.383 1.00 29.60 H new ATOM 0 HA GLN A 52 25.891 30.253 5.363 1.00 32.81 H new ATOM 0 HB2 GLN A 52 27.857 29.426 3.182 1.00 32.81 H new ATOM 0 HB3 GLN A 52 27.505 31.055 3.724 1.00 32.81 H new ATOM 0 HG2 GLN A 52 28.464 29.078 5.801 1.00 34.44 H new ATOM 0 HG3 GLN A 52 29.645 29.671 4.650 1.00 34.44 H new ATOM 0 HE21 GLN A 52 26.916 31.588 5.829 1.00 38.34 H new ATOM 0 HE22 GLN A 52 27.932 32.748 6.691 1.00 38.34 H new ATOM 853 N TYR A 53 25.486 28.475 2.627 1.00 34.79 N ATOM 854 CA TYR A 53 24.579 28.255 1.481 1.00 37.88 C ATOM 855 C TYR A 53 23.227 27.810 2.033 1.00 39.97 C ATOM 856 O TYR A 53 22.186 28.302 1.654 1.00 39.08 O ATOM 857 CB TYR A 53 25.174 27.151 0.593 1.00 39.97 C ATOM 858 CG TYR A 53 24.090 26.519 -0.245 1.00 42.20 C ATOM 859 CD1 TYR A 53 23.292 25.514 0.301 1.00 42.61 C ATOM 860 CD2 TYR A 53 23.882 26.945 -1.551 1.00 42.58 C ATOM 861 CE1 TYR A 53 22.282 24.931 -0.462 1.00 45.45 C ATOM 862 CE2 TYR A 53 22.869 26.366 -2.325 1.00 44.68 C ATOM 863 CZ TYR A 53 22.067 25.355 -1.779 1.00 45.19 C ATOM 864 OH TYR A 53 21.067 24.781 -2.537 1.00 49.10 O ATOM 0 H TYR A 53 26.274 27.830 2.683 1.00 34.79 H new ATOM 0 HA TYR A 53 24.457 29.163 0.891 1.00 37.88 H new ATOM 0 HB2 TYR A 53 25.946 27.570 -0.053 1.00 39.97 H new ATOM 0 HB3 TYR A 53 25.653 26.393 1.213 1.00 39.97 H new ATOM 0 HD1 TYR A 53 23.457 25.187 1.317 1.00 42.61 H new ATOM 0 HD2 TYR A 53 24.502 27.724 -1.970 1.00 42.58 H new ATOM 0 HE1 TYR A 53 21.665 24.152 -0.038 1.00 45.45 H new ATOM 0 HE2 TYR A 53 22.706 26.698 -3.340 1.00 44.68 H new ATOM 0 HH TYR A 53 21.054 25.192 -3.426 1.00 49.10 H new ATOM 874 N VAL A 54 23.257 26.874 2.928 1.00 39.04 N ATOM 875 CA VAL A 54 22.007 26.354 3.531 1.00 40.51 C ATOM 876 C VAL A 54 21.165 27.538 4.021 1.00 40.89 C ATOM 877 O VAL A 54 20.085 27.797 3.527 1.00 40.52 O ATOM 878 CB VAL A 54 22.430 25.462 4.701 1.00 40.89 C ATOM 879 CG1 VAL A 54 21.338 25.347 5.737 1.00 41.12 C ATOM 880 CG2 VAL A 54 22.857 24.048 4.220 1.00 40.75 C ATOM 0 H VAL A 54 24.111 26.438 3.275 1.00 39.04 H new ATOM 0 HA VAL A 54 21.407 25.786 2.820 1.00 40.51 H new ATOM 0 HB VAL A 54 23.293 25.943 5.162 1.00 40.89 H new ATOM 0 HG11 VAL A 54 21.675 24.706 6.552 1.00 41.12 H new ATOM 0 HG12 VAL A 54 21.102 26.337 6.128 1.00 41.12 H new ATOM 0 HG13 VAL A 54 20.447 24.915 5.281 1.00 41.12 H new ATOM 0 HG21 VAL A 54 23.150 23.445 5.079 1.00 40.75 H new ATOM 0 HG22 VAL A 54 22.021 23.570 3.709 1.00 40.75 H new ATOM 0 HG23 VAL A 54 23.699 24.136 3.534 1.00 40.75 H new ATOM 890 N VAL A 55 21.663 28.257 4.986 1.00 40.66 N ATOM 891 CA VAL A 55 20.911 29.428 5.515 1.00 41.79 C ATOM 892 C VAL A 55 20.601 30.374 4.359 1.00 43.19 C ATOM 893 O VAL A 55 19.459 30.692 4.094 1.00 42.93 O ATOM 894 CB VAL A 55 21.773 30.147 6.562 1.00 40.93 C ATOM 895 CG1 VAL A 55 20.967 31.273 7.239 1.00 40.61 C ATOM 896 CG2 VAL A 55 22.228 29.130 7.614 1.00 41.17 C ATOM 0 H VAL A 55 22.563 28.083 5.434 1.00 40.66 H new ATOM 0 HA VAL A 55 19.980 29.102 5.980 1.00 41.79 H new ATOM 0 HB VAL A 55 22.641 30.590 6.073 1.00 40.93 H new ATOM 0 HG11 VAL A 55 21.592 31.773 7.979 1.00 40.61 H new ATOM 0 HG12 VAL A 55 20.647 31.994 6.487 1.00 40.61 H new ATOM 0 HG13 VAL A 55 20.092 30.849 7.731 1.00 40.61 H new ATOM 0 HG21 VAL A 55 22.841 29.631 8.363 1.00 41.17 H new ATOM 0 HG22 VAL A 55 21.355 28.689 8.096 1.00 41.17 H new ATOM 0 HG23 VAL A 55 22.812 28.345 7.133 1.00 41.17 H new ATOM 906 N ASN A 56 21.607 30.819 3.659 1.00 43.65 N ATOM 907 CA ASN A 56 21.361 31.735 2.512 1.00 46.57 C ATOM 908 C ASN A 56 20.265 31.132 1.634 1.00 47.19 C ATOM 909 O ASN A 56 19.280 31.770 1.330 1.00 46.87 O ATOM 910 CB ASN A 56 22.644 31.897 1.694 1.00 46.25 C ATOM 911 CG ASN A 56 23.709 32.595 2.543 1.00 46.74 C ATOM 912 OD1 ASN A 56 23.535 32.770 3.732 1.00 46.94 O ATOM 913 ND2 ASN A 56 24.812 33.003 1.977 1.00 47.06 N ATOM 0 H ASN A 56 22.586 30.589 3.831 1.00 43.65 H new ATOM 0 HA ASN A 56 21.051 32.714 2.878 1.00 46.57 H new ATOM 0 HB2 ASN A 56 23.006 30.922 1.369 1.00 46.25 H new ATOM 0 HB3 ASN A 56 22.443 32.479 0.794 1.00 46.25 H new ATOM 0 HD21 ASN A 56 25.529 33.469 2.533 1.00 47.06 H new ATOM 0 HD22 ASN A 56 24.957 32.856 0.978 1.00 47.06 H new ATOM 920 N GLU A 57 20.423 29.897 1.244 1.00 49.43 N ATOM 921 CA GLU A 57 19.383 29.245 0.403 1.00 51.03 C ATOM 922 C GLU A 57 18.023 29.415 1.075 1.00 51.99 C ATOM 923 O GLU A 57 17.097 29.949 0.498 1.00 52.02 O ATOM 924 CB GLU A 57 19.689 27.753 0.260 1.00 52.77 C ATOM 925 CG GLU A 57 18.792 27.146 -0.823 1.00 54.20 C ATOM 926 CD GLU A 57 19.321 27.532 -2.206 1.00 56.33 C ATOM 927 OE1 GLU A 57 20.246 28.326 -2.266 1.00 57.66 O ATOM 928 OE2 GLU A 57 18.793 27.026 -3.182 1.00 57.76 O ATOM 0 H GLU A 57 21.227 29.312 1.472 1.00 49.43 H new ATOM 0 HA GLU A 57 19.374 29.706 -0.585 1.00 51.03 H new ATOM 0 HB2 GLU A 57 20.738 27.610 0.000 1.00 52.77 H new ATOM 0 HB3 GLU A 57 19.524 27.245 1.210 1.00 52.77 H new ATOM 0 HG2 GLU A 57 18.767 26.061 -0.722 1.00 54.20 H new ATOM 0 HG3 GLU A 57 17.768 27.501 -0.702 1.00 54.20 H new ATOM 935 N TYR A 58 17.895 28.970 2.297 1.00 53.12 N ATOM 936 CA TYR A 58 16.592 29.116 3.000 1.00 54.13 C ATOM 937 C TYR A 58 16.151 30.572 2.920 1.00 54.38 C ATOM 938 O TYR A 58 14.988 30.895 3.040 1.00 55.12 O ATOM 939 CB TYR A 58 16.744 28.704 4.467 1.00 54.54 C ATOM 940 CG TYR A 58 15.382 28.477 5.070 1.00 55.20 C ATOM 941 CD1 TYR A 58 14.685 29.536 5.664 1.00 55.64 C ATOM 942 CD2 TYR A 58 14.818 27.200 5.034 1.00 55.36 C ATOM 943 CE1 TYR A 58 13.421 29.313 6.223 1.00 56.15 C ATOM 944 CE2 TYR A 58 13.559 26.976 5.592 1.00 55.93 C ATOM 945 CZ TYR A 58 12.858 28.032 6.188 1.00 56.20 C ATOM 946 OH TYR A 58 11.613 27.809 6.740 1.00 58.01 O ATOM 0 H TYR A 58 18.633 28.515 2.834 1.00 53.12 H new ATOM 0 HA TYR A 58 15.846 28.476 2.529 1.00 54.13 H new ATOM 0 HB2 TYR A 58 17.342 27.795 4.540 1.00 54.54 H new ATOM 0 HB3 TYR A 58 17.274 29.479 5.020 1.00 54.54 H new ATOM 0 HD1 TYR A 58 15.122 30.523 5.691 1.00 55.64 H new ATOM 0 HD2 TYR A 58 15.357 26.385 4.574 1.00 55.36 H new ATOM 0 HE1 TYR A 58 12.881 30.129 6.681 1.00 56.15 H new ATOM 0 HE2 TYR A 58 13.125 25.988 5.564 1.00 55.93 H new ATOM 0 HH TYR A 58 11.370 26.866 6.629 1.00 58.01 H new ATOM 1151 N ASP B 7 13.072 22.388 8.796 1.00 55.77 N ATOM 1152 CA ASP B 7 12.505 23.619 9.428 1.00 53.95 C ATOM 1153 C ASP B 7 12.868 23.649 10.913 1.00 52.49 C ATOM 1154 O ASP B 7 13.482 24.582 11.393 1.00 51.89 O ATOM 1155 CB ASP B 7 10.983 23.618 9.273 1.00 54.63 C ATOM 1156 CG ASP B 7 10.439 25.024 9.530 1.00 55.27 C ATOM 1157 OD1 ASP B 7 10.781 25.592 10.554 1.00 55.55 O ATOM 1158 OD2 ASP B 7 9.691 25.510 8.697 1.00 56.33 O ATOM 0 HA ASP B 7 12.919 24.500 8.938 1.00 53.95 H new ATOM 0 HB2 ASP B 7 10.710 23.289 8.270 1.00 54.63 H new ATOM 0 HB3 ASP B 7 10.537 22.911 9.973 1.00 54.63 H new ATOM 1163 N VAL B 8 12.518 22.625 11.642 1.00 50.38 N ATOM 1164 CA VAL B 8 12.874 22.589 13.096 1.00 48.45 C ATOM 1165 C VAL B 8 14.363 22.900 13.212 1.00 46.36 C ATOM 1166 O VAL B 8 14.794 23.719 13.998 1.00 44.84 O ATOM 1167 CB VAL B 8 12.613 21.176 13.683 1.00 48.63 C ATOM 1168 CG1 VAL B 8 11.301 21.162 14.461 1.00 48.83 C ATOM 1169 CG2 VAL B 8 12.543 20.154 12.549 1.00 47.55 C ATOM 0 H VAL B 8 12.003 21.814 11.299 1.00 50.38 H new ATOM 0 HA VAL B 8 12.270 23.312 13.644 1.00 48.45 H new ATOM 0 HB VAL B 8 13.429 20.919 14.358 1.00 48.63 H new ATOM 0 HG11 VAL B 8 11.130 20.165 14.868 1.00 48.83 H new ATOM 0 HG12 VAL B 8 11.354 21.883 15.277 1.00 48.83 H new ATOM 0 HG13 VAL B 8 10.480 21.428 13.795 1.00 48.83 H new ATOM 0 HG21 VAL B 8 12.360 19.163 12.963 1.00 47.55 H new ATOM 0 HG22 VAL B 8 11.733 20.419 11.870 1.00 47.55 H new ATOM 0 HG23 VAL B 8 13.487 20.150 12.004 1.00 47.55 H new ATOM 1179 N PHE B 9 15.145 22.226 12.420 1.00 44.57 N ATOM 1180 CA PHE B 9 16.613 22.437 12.445 1.00 42.68 C ATOM 1181 C PHE B 9 16.906 23.937 12.467 1.00 41.92 C ATOM 1182 O PHE B 9 17.593 24.435 13.336 1.00 40.56 O ATOM 1183 CB PHE B 9 17.238 21.797 11.194 1.00 41.99 C ATOM 1184 CG PHE B 9 18.681 21.492 11.469 1.00 41.32 C ATOM 1185 CD1 PHE B 9 19.629 22.510 11.361 1.00 41.38 C ATOM 1186 CD2 PHE B 9 19.069 20.203 11.841 1.00 41.88 C ATOM 1187 CE1 PHE B 9 20.966 22.241 11.622 1.00 39.40 C ATOM 1188 CE2 PHE B 9 20.411 19.937 12.104 1.00 39.39 C ATOM 1189 CZ PHE B 9 21.356 20.960 11.993 1.00 40.84 C ATOM 0 H PHE B 9 14.823 21.529 11.748 1.00 44.57 H new ATOM 0 HA PHE B 9 17.040 21.976 13.335 1.00 42.68 H new ATOM 0 HB2 PHE B 9 16.704 20.884 10.932 1.00 41.99 H new ATOM 0 HB3 PHE B 9 17.152 22.472 10.343 1.00 41.99 H new ATOM 0 HD1 PHE B 9 19.323 23.506 11.075 1.00 41.38 H new ATOM 0 HD2 PHE B 9 18.333 19.417 11.924 1.00 41.88 H new ATOM 0 HE1 PHE B 9 21.702 23.027 11.537 1.00 39.40 H new ATOM 0 HE2 PHE B 9 20.720 18.943 12.393 1.00 39.39 H new ATOM 0 HZ PHE B 9 22.396 20.754 12.197 1.00 40.84 H new ATOM 1199 N LEU B 10 16.371 24.661 11.528 1.00 41.09 N ATOM 1200 CA LEU B 10 16.602 26.129 11.514 1.00 41.50 C ATOM 1201 C LEU B 10 15.935 26.721 12.750 1.00 41.09 C ATOM 1202 O LEU B 10 16.417 27.668 13.339 1.00 38.55 O ATOM 1203 CB LEU B 10 15.998 26.741 10.250 1.00 42.71 C ATOM 1204 CG LEU B 10 16.445 25.942 9.021 1.00 43.61 C ATOM 1205 CD1 LEU B 10 16.015 26.681 7.760 1.00 44.50 C ATOM 1206 CD2 LEU B 10 17.970 25.794 9.016 1.00 43.61 C ATOM 0 H LEU B 10 15.787 24.302 10.773 1.00 41.09 H new ATOM 0 HA LEU B 10 17.671 26.344 11.521 1.00 41.50 H new ATOM 0 HB2 LEU B 10 14.910 26.741 10.319 1.00 42.71 H new ATOM 0 HB3 LEU B 10 16.311 27.780 10.153 1.00 42.71 H new ATOM 0 HG LEU B 10 15.987 24.953 9.053 1.00 43.61 H new ATOM 0 HD11 LEU B 10 16.331 26.117 6.882 1.00 44.50 H new ATOM 0 HD12 LEU B 10 14.930 26.787 7.753 1.00 44.50 H new ATOM 0 HD13 LEU B 10 16.476 27.668 7.742 1.00 44.50 H new ATOM 0 HD21 LEU B 10 18.277 25.225 8.139 1.00 43.61 H new ATOM 0 HD22 LEU B 10 18.431 26.781 8.988 1.00 43.61 H new ATOM 0 HD23 LEU B 10 18.288 25.271 9.918 1.00 43.61 H new ATOM 1218 N ASP B 11 14.834 26.155 13.160 1.00 41.28 N ATOM 1219 CA ASP B 11 14.150 26.672 14.374 1.00 41.44 C ATOM 1220 C ASP B 11 15.112 26.546 15.557 1.00 39.86 C ATOM 1221 O ASP B 11 15.361 27.502 16.263 1.00 37.26 O ATOM 1222 CB ASP B 11 12.875 25.865 14.645 1.00 44.23 C ATOM 1223 CG ASP B 11 11.951 26.657 15.575 1.00 46.87 C ATOM 1224 OD1 ASP B 11 12.405 27.647 16.125 1.00 49.31 O ATOM 1225 OD2 ASP B 11 10.807 26.260 15.720 1.00 48.41 O ATOM 0 H ASP B 11 14.381 25.360 12.708 1.00 41.28 H new ATOM 0 HA ASP B 11 13.869 27.715 14.229 1.00 41.44 H new ATOM 0 HB2 ASP B 11 12.364 25.648 13.707 1.00 44.23 H new ATOM 0 HB3 ASP B 11 13.129 24.907 15.098 1.00 44.23 H new ATOM 1230 N TYR B 12 15.681 25.381 15.773 1.00 39.23 N ATOM 1231 CA TYR B 12 16.643 25.249 16.904 1.00 38.08 C ATOM 1232 C TYR B 12 17.716 26.304 16.729 1.00 34.01 C ATOM 1233 O TYR B 12 18.088 26.992 17.656 1.00 32.49 O ATOM 1234 CB TYR B 12 17.338 23.883 16.908 1.00 42.28 C ATOM 1235 CG TYR B 12 16.358 22.725 16.930 1.00 47.31 C ATOM 1236 CD1 TYR B 12 15.179 22.760 17.699 1.00 49.49 C ATOM 1237 CD2 TYR B 12 16.660 21.584 16.183 1.00 48.65 C ATOM 1238 CE1 TYR B 12 14.320 21.653 17.707 1.00 50.83 C ATOM 1239 CE2 TYR B 12 15.809 20.489 16.191 1.00 51.34 C ATOM 1240 CZ TYR B 12 14.636 20.516 16.954 1.00 50.67 C ATOM 1241 OH TYR B 12 13.790 19.426 16.961 1.00 52.32 O ATOM 0 H TYR B 12 15.522 24.535 15.225 1.00 39.23 H new ATOM 0 HA TYR B 12 16.090 25.363 17.837 1.00 38.08 H new ATOM 0 HB2 TYR B 12 17.972 23.800 16.025 1.00 42.28 H new ATOM 0 HB3 TYR B 12 17.992 23.816 17.777 1.00 42.28 H new ATOM 0 HD1 TYR B 12 14.938 23.637 18.281 1.00 49.49 H new ATOM 0 HD2 TYR B 12 17.565 21.554 15.594 1.00 48.65 H new ATOM 0 HE1 TYR B 12 13.414 21.677 18.294 1.00 50.83 H new ATOM 0 HE2 TYR B 12 16.052 19.613 15.607 1.00 51.34 H new ATOM 0 HH TYR B 12 14.157 18.723 16.385 1.00 52.32 H new ATOM 1251 N CYS B 13 18.222 26.450 15.538 1.00 32.32 N ATOM 1252 CA CYS B 13 19.262 27.476 15.322 1.00 29.00 C ATOM 1253 C CYS B 13 18.733 28.793 15.871 1.00 29.81 C ATOM 1254 O CYS B 13 19.256 29.326 16.820 1.00 24.62 O ATOM 1255 CB CYS B 13 19.557 27.610 13.828 1.00 28.41 C ATOM 1256 SG CYS B 13 19.816 25.966 13.116 1.00 23.95 S ATOM 0 H CYS B 13 17.960 25.906 14.716 1.00 32.32 H new ATOM 0 HA CYS B 13 20.186 27.198 15.828 1.00 29.00 H new ATOM 0 HB2 CYS B 13 18.728 28.109 13.326 1.00 28.41 H new ATOM 0 HB3 CYS B 13 20.442 28.228 13.675 1.00 28.41 H new ATOM 0 HG CYS B 13 18.687 25.322 13.088 1.00 23.95 H new ATOM 1262 N GLN B 14 17.667 29.292 15.305 1.00 29.76 N ATOM 1263 CA GLN B 14 17.073 30.562 15.807 1.00 32.34 C ATOM 1264 C GLN B 14 16.991 30.515 17.337 1.00 33.14 C ATOM 1265 O GLN B 14 17.197 31.504 18.008 1.00 33.29 O ATOM 1266 CB GLN B 14 15.671 30.738 15.205 1.00 34.56 C ATOM 1267 CG GLN B 14 15.261 32.215 15.240 1.00 39.08 C ATOM 1268 CD GLN B 14 14.962 32.633 16.677 1.00 41.02 C ATOM 1269 OE1 GLN B 14 14.332 31.807 17.460 1.00 42.67 O flip ATOM 1270 NE2 GLN B 14 15.304 33.723 17.089 1.00 42.20 N flip ATOM 0 H GLN B 14 17.181 28.872 14.513 1.00 29.76 H new ATOM 0 HA GLN B 14 17.696 31.406 15.512 1.00 32.34 H new ATOM 0 HB2 GLN B 14 15.660 30.374 14.177 1.00 34.56 H new ATOM 0 HB3 GLN B 14 14.950 30.140 15.762 1.00 34.56 H new ATOM 0 HG2 GLN B 14 16.059 32.834 14.830 1.00 39.08 H new ATOM 0 HG3 GLN B 14 14.382 32.373 14.615 1.00 39.08 H new ATOM 0 HE21 GLN B 14 15.798 34.369 16.473 1.00 42.20 H new ATOM 0 HE22 GLN B 14 15.097 33.992 18.051 1.00 42.20 H new ATOM 1279 N LYS B 15 16.716 29.368 17.899 1.00 31.48 N ATOM 1280 CA LYS B 15 16.659 29.273 19.381 1.00 31.70 C ATOM 1281 C LYS B 15 18.096 29.327 19.903 1.00 30.74 C ATOM 1282 O LYS B 15 18.465 30.211 20.644 1.00 30.57 O ATOM 1283 CB LYS B 15 16.002 27.948 19.780 1.00 35.91 C ATOM 1284 CG LYS B 15 14.585 27.831 19.149 1.00 40.53 C ATOM 1285 CD LYS B 15 13.500 27.889 20.234 1.00 42.80 C ATOM 1286 CE LYS B 15 13.394 26.528 20.924 1.00 45.27 C ATOM 1287 NZ LYS B 15 12.348 26.586 21.983 1.00 48.21 N ATOM 0 H LYS B 15 16.530 28.500 17.397 1.00 31.48 H new ATOM 0 HA LYS B 15 16.074 30.090 19.803 1.00 31.70 H new ATOM 0 HB2 LYS B 15 16.623 27.114 19.452 1.00 35.91 H new ATOM 0 HB3 LYS B 15 15.930 27.884 20.866 1.00 35.91 H new ATOM 0 HG2 LYS B 15 14.433 28.638 18.432 1.00 40.53 H new ATOM 0 HG3 LYS B 15 14.504 26.895 18.597 1.00 40.53 H new ATOM 0 HD2 LYS B 15 13.742 28.661 20.964 1.00 42.80 H new ATOM 0 HD3 LYS B 15 12.542 28.159 19.791 1.00 42.80 H new ATOM 0 HE2 LYS B 15 13.145 25.757 20.194 1.00 45.27 H new ATOM 0 HE3 LYS B 15 14.354 26.255 21.361 1.00 45.27 H new ATOM 0 HZ1 LYS B 15 12.277 25.660 22.452 1.00 48.21 H new ATOM 0 HZ2 LYS B 15 12.604 27.310 22.684 1.00 48.21 H new ATOM 0 HZ3 LYS B 15 11.432 26.828 21.554 1.00 48.21 H new ATOM 1301 N LEU B 16 18.931 28.408 19.487 1.00 26.59 N ATOM 1302 CA LEU B 16 20.356 28.445 19.932 1.00 27.03 C ATOM 1303 C LEU B 16 20.868 29.862 19.684 1.00 24.17 C ATOM 1304 O LEU B 16 21.605 30.434 20.462 1.00 23.26 O ATOM 1305 CB LEU B 16 21.162 27.430 19.105 1.00 28.15 C ATOM 1306 CG LEU B 16 22.442 27.015 19.851 1.00 28.00 C ATOM 1307 CD1 LEU B 16 22.094 26.247 21.141 1.00 30.50 C ATOM 1308 CD2 LEU B 16 23.301 26.126 18.927 1.00 26.29 C ATOM 0 H LEU B 16 18.689 27.639 18.862 1.00 26.59 H new ATOM 0 HA LEU B 16 20.456 28.188 20.987 1.00 27.03 H new ATOM 0 HB2 LEU B 16 20.551 26.550 18.904 1.00 28.15 H new ATOM 0 HB3 LEU B 16 21.422 27.865 18.140 1.00 28.15 H new ATOM 0 HG LEU B 16 23.000 27.910 20.125 1.00 28.00 H new ATOM 0 HD11 LEU B 16 23.013 25.962 21.654 1.00 30.50 H new ATOM 0 HD12 LEU B 16 21.496 26.884 21.793 1.00 30.50 H new ATOM 0 HD13 LEU B 16 21.527 25.351 20.889 1.00 30.50 H new ATOM 0 HD21 LEU B 16 24.210 25.829 19.450 1.00 26.29 H new ATOM 0 HD22 LEU B 16 22.735 25.237 18.649 1.00 26.29 H new ATOM 0 HD23 LEU B 16 23.566 26.684 18.029 1.00 26.29 H new ATOM 1320 N LEU B 17 20.426 30.428 18.602 1.00 23.83 N ATOM 1321 CA LEU B 17 20.799 31.821 18.246 1.00 25.91 C ATOM 1322 C LEU B 17 20.261 32.749 19.342 1.00 28.74 C ATOM 1323 O LEU B 17 20.879 33.729 19.708 1.00 29.35 O ATOM 1324 CB LEU B 17 20.133 32.161 16.903 1.00 23.53 C ATOM 1325 CG LEU B 17 20.865 33.310 16.184 1.00 23.31 C ATOM 1326 CD1 LEU B 17 21.998 32.749 15.299 1.00 16.92 C ATOM 1327 CD2 LEU B 17 19.859 34.069 15.301 1.00 19.75 C ATOM 0 H LEU B 17 19.806 29.972 17.932 1.00 23.83 H new ATOM 0 HA LEU B 17 21.879 31.937 18.162 1.00 25.91 H new ATOM 0 HB2 LEU B 17 20.126 31.277 16.265 1.00 23.53 H new ATOM 0 HB3 LEU B 17 19.093 32.440 17.072 1.00 23.53 H new ATOM 0 HG LEU B 17 21.296 33.982 16.926 1.00 23.31 H new ATOM 0 HD11 LEU B 17 22.508 33.571 14.796 1.00 16.92 H new ATOM 0 HD12 LEU B 17 22.710 32.206 15.920 1.00 16.92 H new ATOM 0 HD13 LEU B 17 21.577 32.073 14.554 1.00 16.92 H new ATOM 0 HD21 LEU B 17 20.368 34.885 14.788 1.00 19.75 H new ATOM 0 HD22 LEU B 17 19.434 33.387 14.565 1.00 19.75 H new ATOM 0 HD23 LEU B 17 19.061 34.474 15.924 1.00 19.75 H new ATOM 1339 N GLU B 18 19.101 32.432 19.866 1.00 30.66 N ATOM 1340 CA GLU B 18 18.498 33.273 20.938 1.00 33.61 C ATOM 1341 C GLU B 18 19.157 32.913 22.276 1.00 34.68 C ATOM 1342 O GLU B 18 19.509 33.774 23.057 1.00 34.80 O ATOM 1343 CB GLU B 18 16.959 33.038 20.958 1.00 35.91 C ATOM 1344 CG GLU B 18 16.511 32.151 22.136 1.00 37.64 C ATOM 1345 CD GLU B 18 15.009 31.882 22.024 1.00 40.24 C ATOM 1346 OE1 GLU B 18 14.553 31.631 20.921 1.00 40.39 O ATOM 1347 OE2 GLU B 18 14.342 31.931 23.044 1.00 40.89 O ATOM 0 H GLU B 18 18.546 31.621 19.593 1.00 30.66 H new ATOM 0 HA GLU B 18 18.670 34.333 20.753 1.00 33.61 H new ATOM 0 HB2 GLU B 18 16.449 33.999 21.017 1.00 35.91 H new ATOM 0 HB3 GLU B 18 16.654 32.573 20.021 1.00 35.91 H new ATOM 0 HG2 GLU B 18 17.062 31.211 22.128 1.00 37.64 H new ATOM 0 HG3 GLU B 18 16.734 32.643 23.082 1.00 37.64 H new ATOM 1354 N LYS B 19 19.339 31.646 22.536 1.00 34.95 N ATOM 1355 CA LYS B 19 19.988 31.237 23.809 1.00 36.04 C ATOM 1356 C LYS B 19 21.292 32.018 23.964 1.00 35.87 C ATOM 1357 O LYS B 19 21.608 32.529 25.020 1.00 36.90 O ATOM 1358 CB LYS B 19 20.271 29.744 23.772 1.00 36.58 C ATOM 1359 CG LYS B 19 20.440 29.237 25.200 1.00 39.52 C ATOM 1360 CD LYS B 19 20.915 27.809 25.136 1.00 41.12 C ATOM 1361 CE LYS B 19 20.992 27.219 26.544 1.00 43.76 C ATOM 1362 NZ LYS B 19 21.578 28.225 27.475 1.00 45.38 N ATOM 0 H LYS B 19 19.066 30.880 21.921 1.00 34.95 H new ATOM 0 HA LYS B 19 19.334 31.449 24.655 1.00 36.04 H new ATOM 0 HB2 LYS B 19 19.453 29.218 23.280 1.00 36.58 H new ATOM 0 HB3 LYS B 19 21.173 29.546 23.193 1.00 36.58 H new ATOM 0 HG2 LYS B 19 21.159 29.853 25.740 1.00 39.52 H new ATOM 0 HG3 LYS B 19 19.496 29.300 25.741 1.00 39.52 H new ATOM 0 HD2 LYS B 19 20.235 27.218 24.522 1.00 41.12 H new ATOM 0 HD3 LYS B 19 21.895 27.764 24.660 1.00 41.12 H new ATOM 0 HE2 LYS B 19 19.997 26.930 26.883 1.00 43.76 H new ATOM 0 HE3 LYS B 19 21.602 26.315 26.538 1.00 43.76 H new ATOM 0 HZ1 LYS B 19 21.988 27.739 28.298 1.00 45.38 H new ATOM 0 HZ2 LYS B 19 22.322 28.761 26.984 1.00 45.38 H new ATOM 0 HZ3 LYS B 19 20.834 28.878 27.793 1.00 45.38 H new ATOM 1376 N PHE B 20 22.042 32.125 22.899 1.00 35.16 N ATOM 1377 CA PHE B 20 23.320 32.881 22.935 1.00 34.19 C ATOM 1378 C PHE B 20 23.086 34.254 22.305 1.00 34.42 C ATOM 1379 O PHE B 20 23.988 35.058 22.176 1.00 33.94 O ATOM 1380 CB PHE B 20 24.357 32.117 22.123 1.00 34.18 C ATOM 1381 CG PHE B 20 24.798 30.898 22.890 1.00 32.04 C ATOM 1382 CD1 PHE B 20 24.077 29.705 22.774 1.00 31.71 C ATOM 1383 CD2 PHE B 20 25.919 30.961 23.725 1.00 34.13 C ATOM 1384 CE1 PHE B 20 24.477 28.573 23.491 1.00 31.01 C ATOM 1385 CE2 PHE B 20 26.319 29.831 24.445 1.00 33.69 C ATOM 1386 CZ PHE B 20 25.596 28.636 24.328 1.00 32.95 C ATOM 0 H PHE B 20 21.816 31.713 21.994 1.00 35.16 H new ATOM 0 HA PHE B 20 23.671 33.000 23.960 1.00 34.19 H new ATOM 0 HB2 PHE B 20 23.936 31.822 21.162 1.00 34.18 H new ATOM 0 HB3 PHE B 20 25.214 32.757 21.913 1.00 34.18 H new ATOM 0 HD1 PHE B 20 23.211 29.658 22.130 1.00 31.71 H new ATOM 0 HD2 PHE B 20 26.475 31.882 23.813 1.00 34.13 H new ATOM 0 HE1 PHE B 20 23.922 27.651 23.399 1.00 31.01 H new ATOM 0 HE2 PHE B 20 27.184 29.879 25.090 1.00 33.69 H new ATOM 0 HZ PHE B 20 25.903 27.763 24.885 1.00 32.95 H new ATOM 1396 N ARG B 21 21.867 34.525 21.921 1.00 33.90 N ATOM 1397 CA ARG B 21 21.538 35.839 21.306 1.00 35.50 C ATOM 1398 C ARG B 21 22.558 36.188 20.220 1.00 34.22 C ATOM 1399 O ARG B 21 22.973 37.323 20.094 1.00 33.41 O ATOM 1400 CB ARG B 21 21.547 36.927 22.390 1.00 38.56 C ATOM 1401 CG ARG B 21 20.396 36.695 23.398 1.00 42.96 C ATOM 1402 CD ARG B 21 20.881 35.843 24.576 1.00 46.75 C ATOM 1403 NE ARG B 21 21.595 36.709 25.556 1.00 50.46 N ATOM 1404 CZ ARG B 21 21.842 36.266 26.758 1.00 51.88 C ATOM 1405 NH1 ARG B 21 21.466 35.064 27.100 1.00 54.10 N ATOM 1406 NH2 ARG B 21 22.466 37.023 27.618 1.00 54.21 N ATOM 0 H ARG B 21 21.079 33.884 22.009 1.00 33.90 H new ATOM 0 HA ARG B 21 20.549 35.780 20.853 1.00 35.50 H new ATOM 0 HB2 ARG B 21 22.503 36.920 22.913 1.00 38.56 H new ATOM 0 HB3 ARG B 21 21.443 37.909 21.929 1.00 38.56 H new ATOM 0 HG2 ARG B 21 20.025 37.653 23.762 1.00 42.96 H new ATOM 0 HG3 ARG B 21 19.563 36.198 22.900 1.00 42.96 H new ATOM 0 HD2 ARG B 21 20.034 35.353 25.057 1.00 46.75 H new ATOM 0 HD3 ARG B 21 21.545 35.055 24.220 1.00 46.75 H new ATOM 0 HE ARG B 21 21.890 37.648 25.287 1.00 50.46 H new ATOM 0 HH11 ARG B 21 20.979 34.471 26.428 1.00 54.10 H new ATOM 0 HH12 ARG B 21 21.659 34.717 28.040 1.00 54.10 H new ATOM 0 HH21 ARG B 21 22.761 37.962 27.351 1.00 54.21 H new ATOM 0 HH22 ARG B 21 22.659 36.676 28.558 1.00 54.21 H new ATOM 1420 N TYR B 22 22.959 35.233 19.423 1.00 31.03 N ATOM 1421 CA TYR B 22 23.938 35.540 18.346 1.00 30.00 C ATOM 1422 C TYR B 22 23.220 36.360 17.241 1.00 28.60 C ATOM 1423 O TYR B 22 22.031 36.199 17.053 1.00 27.38 O ATOM 1424 CB TYR B 22 24.438 34.224 17.733 1.00 26.97 C ATOM 1425 CG TYR B 22 25.540 33.597 18.580 1.00 28.47 C ATOM 1426 CD1 TYR B 22 26.739 34.288 18.835 1.00 28.83 C ATOM 1427 CD2 TYR B 22 25.364 32.307 19.102 1.00 26.95 C ATOM 1428 CE1 TYR B 22 27.743 33.692 19.606 1.00 27.02 C ATOM 1429 CE2 TYR B 22 26.371 31.714 19.872 1.00 26.27 C ATOM 1430 CZ TYR B 22 27.559 32.406 20.124 1.00 26.46 C ATOM 1431 OH TYR B 22 28.551 31.820 20.884 1.00 23.82 O ATOM 0 H TYR B 22 22.652 34.261 19.472 1.00 31.03 H new ATOM 0 HA TYR B 22 24.776 36.104 18.754 1.00 30.00 H new ATOM 0 HB2 TYR B 22 23.607 33.525 17.640 1.00 26.97 H new ATOM 0 HB3 TYR B 22 24.812 34.409 16.726 1.00 26.97 H new ATOM 0 HD1 TYR B 22 26.885 35.280 18.435 1.00 28.83 H new ATOM 0 HD2 TYR B 22 24.448 31.769 18.909 1.00 26.95 H new ATOM 0 HE1 TYR B 22 28.661 34.226 19.801 1.00 27.02 H new ATOM 0 HE2 TYR B 22 26.230 30.721 20.272 1.00 26.27 H new ATOM 0 HH TYR B 22 28.449 32.091 21.820 1.00 23.82 H new ATOM 1441 N PRO B 23 23.950 37.192 16.517 1.00 29.13 N ATOM 1442 CA PRO B 23 23.359 37.986 15.417 1.00 28.62 C ATOM 1443 C PRO B 23 22.650 37.056 14.410 1.00 28.74 C ATOM 1444 O PRO B 23 22.675 35.852 14.541 1.00 26.54 O ATOM 1445 CB PRO B 23 24.555 38.717 14.763 1.00 29.12 C ATOM 1446 CG PRO B 23 25.831 38.340 15.569 1.00 29.87 C ATOM 1447 CD PRO B 23 25.393 37.418 16.728 1.00 29.51 C ATOM 0 HA PRO B 23 22.605 38.691 15.768 1.00 28.62 H new ATOM 0 HB2 PRO B 23 24.660 38.422 13.719 1.00 29.12 H new ATOM 0 HB3 PRO B 23 24.398 39.796 14.775 1.00 29.12 H new ATOM 0 HG2 PRO B 23 26.553 37.834 14.929 1.00 29.87 H new ATOM 0 HG3 PRO B 23 26.319 39.235 15.955 1.00 29.87 H new ATOM 0 HD2 PRO B 23 25.945 36.478 16.714 1.00 29.51 H new ATOM 0 HD3 PRO B 23 25.582 37.884 17.695 1.00 29.51 H new ATOM 1455 N TRP B 24 22.013 37.619 13.416 1.00 24.77 N ATOM 1456 CA TRP B 24 21.289 36.786 12.401 1.00 26.20 C ATOM 1457 C TRP B 24 22.261 36.203 11.371 1.00 24.23 C ATOM 1458 O TRP B 24 21.909 35.325 10.609 1.00 20.77 O ATOM 1459 CB TRP B 24 20.252 37.652 11.688 1.00 28.27 C ATOM 1460 CG TRP B 24 19.521 36.844 10.657 1.00 30.88 C ATOM 1461 CD1 TRP B 24 19.584 37.060 9.322 1.00 31.38 C ATOM 1462 CD2 TRP B 24 18.613 35.710 10.842 1.00 29.00 C ATOM 1463 NE1 TRP B 24 18.775 36.141 8.678 1.00 31.09 N ATOM 1464 CE2 TRP B 24 18.154 35.290 9.570 1.00 31.07 C ATOM 1465 CE3 TRP B 24 18.143 35.011 11.974 1.00 30.12 C ATOM 1466 CZ2 TRP B 24 17.265 34.224 9.426 1.00 31.07 C ATOM 1467 CZ3 TRP B 24 17.248 33.938 11.827 1.00 31.73 C ATOM 1468 CH2 TRP B 24 16.808 33.550 10.556 1.00 30.51 C ATOM 0 H TRP B 24 21.961 38.626 13.260 1.00 24.77 H new ATOM 0 HA TRP B 24 20.800 35.959 12.916 1.00 26.20 H new ATOM 0 HB2 TRP B 24 19.545 38.055 12.413 1.00 28.27 H new ATOM 0 HB3 TRP B 24 20.742 38.502 11.214 1.00 28.27 H new ATOM 0 HD1 TRP B 24 20.171 37.826 8.838 1.00 31.38 H new ATOM 0 HE1 TRP B 24 18.652 36.097 7.666 1.00 31.09 H new ATOM 0 HE3 TRP B 24 18.473 35.303 12.960 1.00 30.12 H new ATOM 0 HZ2 TRP B 24 16.933 33.923 8.443 1.00 31.07 H new ATOM 0 HZ3 TRP B 24 16.897 33.409 12.701 1.00 31.73 H new ATOM 0 HH2 TRP B 24 16.115 32.729 10.452 1.00 30.51 H new ATOM 1479 N GLU B 25 23.471 36.690 11.318 1.00 21.71 N ATOM 1480 CA GLU B 25 24.441 36.164 10.309 1.00 23.69 C ATOM 1481 C GLU B 25 25.133 34.885 10.812 1.00 22.17 C ATOM 1482 O GLU B 25 25.800 34.216 10.052 1.00 20.98 O ATOM 1483 CB GLU B 25 25.497 37.238 9.998 1.00 29.06 C ATOM 1484 CG GLU B 25 25.868 37.992 11.279 1.00 37.12 C ATOM 1485 CD GLU B 25 27.221 38.687 11.098 1.00 42.03 C ATOM 1486 OE1 GLU B 25 27.388 39.364 10.097 1.00 44.49 O ATOM 1487 OE2 GLU B 25 28.066 38.531 11.965 1.00 44.52 O ATOM 0 H GLU B 25 23.831 37.426 11.926 1.00 21.71 H new ATOM 0 HA GLU B 25 23.888 35.916 9.403 1.00 23.69 H new ATOM 0 HB2 GLU B 25 26.385 36.774 9.569 1.00 29.06 H new ATOM 0 HB3 GLU B 25 25.111 37.935 9.254 1.00 29.06 H new ATOM 0 HG2 GLU B 25 25.099 38.728 11.514 1.00 37.12 H new ATOM 0 HG3 GLU B 25 25.914 37.299 12.119 1.00 37.12 H new ATOM 1494 N LEU B 26 25.014 34.542 12.078 1.00 18.07 N ATOM 1495 CA LEU B 26 25.705 33.306 12.584 1.00 16.50 C ATOM 1496 C LEU B 26 24.778 32.102 12.515 1.00 16.77 C ATOM 1497 O LEU B 26 25.018 31.087 13.139 1.00 16.07 O ATOM 1498 CB LEU B 26 26.160 33.513 14.023 1.00 18.60 C ATOM 1499 CG LEU B 26 26.879 34.861 14.161 1.00 21.90 C ATOM 1500 CD1 LEU B 26 27.646 34.885 15.480 1.00 24.06 C ATOM 1501 CD2 LEU B 26 27.868 35.068 13.004 1.00 25.09 C ATOM 0 H LEU B 26 24.476 35.057 12.775 1.00 18.07 H new ATOM 0 HA LEU B 26 26.572 33.119 11.951 1.00 16.50 H new ATOM 0 HB2 LEU B 26 25.300 33.481 14.692 1.00 18.60 H new ATOM 0 HB3 LEU B 26 26.827 32.704 14.321 1.00 18.60 H new ATOM 0 HG LEU B 26 26.137 35.659 14.138 1.00 21.90 H new ATOM 0 HD11 LEU B 26 28.160 35.841 15.585 1.00 24.06 H new ATOM 0 HD12 LEU B 26 26.950 34.755 16.308 1.00 24.06 H new ATOM 0 HD13 LEU B 26 28.377 34.077 15.490 1.00 24.06 H new ATOM 0 HD21 LEU B 26 28.368 36.030 13.120 1.00 25.09 H new ATOM 0 HD22 LEU B 26 28.610 34.270 13.013 1.00 25.09 H new ATOM 0 HD23 LEU B 26 27.329 35.051 12.057 1.00 25.09 H new ATOM 1513 N MET B 27 23.744 32.183 11.736 1.00 15.51 N ATOM 1514 CA MET B 27 22.844 31.022 11.606 1.00 15.51 C ATOM 1515 C MET B 27 23.634 29.819 11.034 1.00 15.79 C ATOM 1516 O MET B 27 23.445 28.713 11.501 1.00 14.86 O ATOM 1517 CB MET B 27 21.668 31.375 10.677 1.00 16.03 C ATOM 1518 CG MET B 27 20.525 32.047 11.441 1.00 14.48 C ATOM 1519 SD MET B 27 19.018 31.798 10.489 1.00 11.00 S ATOM 1520 CE MET B 27 18.566 30.209 11.207 1.00 16.96 C ATOM 0 H MET B 27 23.486 33.002 11.186 1.00 15.51 H new ATOM 0 HA MET B 27 22.449 30.756 12.586 1.00 15.51 H new ATOM 0 HB2 MET B 27 22.016 32.039 9.885 1.00 16.03 H new ATOM 0 HB3 MET B 27 21.300 30.469 10.195 1.00 16.03 H new ATOM 0 HG2 MET B 27 20.425 31.617 12.437 1.00 14.48 H new ATOM 0 HG3 MET B 27 20.724 33.111 11.572 1.00 14.48 H new ATOM 0 HE1 MET B 27 17.861 29.700 10.550 1.00 16.96 H new ATOM 0 HE2 MET B 27 19.459 29.596 11.325 1.00 16.96 H new ATOM 0 HE3 MET B 27 18.104 30.368 12.181 1.00 16.96 H new ATOM 1530 N PRO B 28 24.500 30.038 10.047 1.00 15.25 N ATOM 1531 CA PRO B 28 25.281 28.929 9.471 1.00 16.18 C ATOM 1532 C PRO B 28 26.101 28.273 10.583 1.00 15.53 C ATOM 1533 O PRO B 28 26.291 27.082 10.603 1.00 16.52 O ATOM 1534 CB PRO B 28 26.172 29.594 8.392 1.00 16.78 C ATOM 1535 CG PRO B 28 25.597 31.012 8.171 1.00 19.84 C ATOM 1536 CD PRO B 28 24.787 31.353 9.428 1.00 17.18 C ATOM 0 HA PRO B 28 24.672 28.140 9.029 1.00 16.18 H new ATOM 0 HB2 PRO B 28 27.210 29.642 8.720 1.00 16.78 H new ATOM 0 HB3 PRO B 28 26.157 29.019 7.466 1.00 16.78 H new ATOM 0 HG2 PRO B 28 26.397 31.736 8.017 1.00 19.84 H new ATOM 0 HG3 PRO B 28 24.966 31.041 7.283 1.00 19.84 H new ATOM 0 HD2 PRO B 28 25.352 31.995 10.103 1.00 17.18 H new ATOM 0 HD3 PRO B 28 23.868 31.884 9.177 1.00 17.18 H new ATOM 1544 N LEU B 29 26.566 29.042 11.525 1.00 13.35 N ATOM 1545 CA LEU B 29 27.347 28.448 12.643 1.00 12.43 C ATOM 1546 C LEU B 29 26.383 27.707 13.567 1.00 12.94 C ATOM 1547 O LEU B 29 26.558 26.538 13.850 1.00 13.87 O ATOM 1548 CB LEU B 29 28.072 29.561 13.401 1.00 15.82 C ATOM 1549 CG LEU B 29 28.790 30.474 12.402 1.00 12.60 C ATOM 1550 CD1 LEU B 29 29.696 31.439 13.170 1.00 13.73 C ATOM 1551 CD2 LEU B 29 29.635 29.626 11.435 1.00 13.81 C ATOM 0 H LEU B 29 26.440 30.053 11.570 1.00 13.35 H new ATOM 0 HA LEU B 29 28.091 27.748 12.262 1.00 12.43 H new ATOM 0 HB2 LEU B 29 27.360 30.138 13.991 1.00 15.82 H new ATOM 0 HB3 LEU B 29 28.790 29.132 14.100 1.00 15.82 H new ATOM 0 HG LEU B 29 28.055 31.038 11.828 1.00 12.60 H new ATOM 0 HD11 LEU B 29 30.211 32.093 12.466 1.00 13.73 H new ATOM 0 HD12 LEU B 29 29.093 32.041 13.850 1.00 13.73 H new ATOM 0 HD13 LEU B 29 30.430 30.872 13.742 1.00 13.73 H new ATOM 0 HD21 LEU B 29 30.143 30.280 10.727 1.00 13.81 H new ATOM 0 HD22 LEU B 29 30.374 29.058 12.000 1.00 13.81 H new ATOM 0 HD23 LEU B 29 28.986 28.938 10.893 1.00 13.81 H new ATOM 1563 N MET B 30 25.345 28.360 14.014 1.00 13.14 N ATOM 1564 CA MET B 30 24.359 27.664 14.883 1.00 14.92 C ATOM 1565 C MET B 30 23.890 26.418 14.133 1.00 15.06 C ATOM 1566 O MET B 30 23.687 25.364 14.702 1.00 14.78 O ATOM 1567 CB MET B 30 23.157 28.589 15.131 1.00 14.70 C ATOM 1568 CG MET B 30 23.406 29.466 16.356 1.00 10.57 C ATOM 1569 SD MET B 30 24.815 30.564 16.045 1.00 7.09 S ATOM 1570 CE MET B 30 25.962 29.885 17.274 1.00 13.40 C ATOM 0 H MET B 30 25.139 29.339 13.816 1.00 13.14 H new ATOM 0 HA MET B 30 24.806 27.397 15.841 1.00 14.92 H new ATOM 0 HB2 MET B 30 22.985 29.216 14.256 1.00 14.70 H new ATOM 0 HB3 MET B 30 22.256 27.994 15.279 1.00 14.70 H new ATOM 0 HG2 MET B 30 22.517 30.055 16.581 1.00 10.57 H new ATOM 0 HG3 MET B 30 23.604 28.842 17.228 1.00 10.57 H new ATOM 0 HE1 MET B 30 26.756 30.606 17.468 1.00 13.40 H new ATOM 0 HE2 MET B 30 25.424 29.680 18.199 1.00 13.40 H new ATOM 0 HE3 MET B 30 26.397 28.960 16.894 1.00 13.40 H new ATOM 1580 N TYR B 31 23.714 26.553 12.850 1.00 13.82 N ATOM 1581 CA TYR B 31 23.254 25.406 12.027 1.00 14.24 C ATOM 1582 C TYR B 31 24.237 24.231 12.164 1.00 15.20 C ATOM 1583 O TYR B 31 23.854 23.127 12.496 1.00 15.23 O ATOM 1584 CB TYR B 31 23.171 25.837 10.560 1.00 15.18 C ATOM 1585 CG TYR B 31 22.872 24.635 9.698 1.00 19.70 C ATOM 1586 CD1 TYR B 31 23.917 23.804 9.279 1.00 21.03 C ATOM 1587 CD2 TYR B 31 21.555 24.352 9.317 1.00 22.09 C ATOM 1588 CE1 TYR B 31 23.649 22.691 8.481 1.00 22.51 C ATOM 1589 CE2 TYR B 31 21.287 23.235 8.519 1.00 25.56 C ATOM 1590 CZ TYR B 31 22.334 22.404 8.100 1.00 25.00 C ATOM 1591 OH TYR B 31 22.069 21.304 7.311 1.00 30.46 O ATOM 0 H TYR B 31 23.871 27.418 12.333 1.00 13.82 H new ATOM 0 HA TYR B 31 22.271 25.087 12.373 1.00 14.24 H new ATOM 0 HB2 TYR B 31 22.393 26.590 10.435 1.00 15.18 H new ATOM 0 HB3 TYR B 31 24.111 26.295 10.251 1.00 15.18 H new ATOM 0 HD1 TYR B 31 24.932 24.024 9.574 1.00 21.03 H new ATOM 0 HD2 TYR B 31 20.748 24.994 9.638 1.00 22.09 H new ATOM 0 HE1 TYR B 31 24.457 22.051 8.158 1.00 22.51 H new ATOM 0 HE2 TYR B 31 20.272 23.013 8.226 1.00 25.56 H new ATOM 0 HH TYR B 31 21.106 21.249 7.139 1.00 30.46 H new ATOM 1601 N VAL B 32 25.498 24.458 11.893 1.00 14.03 N ATOM 1602 CA VAL B 32 26.499 23.349 11.988 1.00 12.14 C ATOM 1603 C VAL B 32 26.547 22.795 13.414 1.00 12.91 C ATOM 1604 O VAL B 32 26.410 21.607 13.628 1.00 14.47 O ATOM 1605 CB VAL B 32 27.891 23.865 11.596 1.00 12.64 C ATOM 1606 CG1 VAL B 32 28.888 22.707 11.636 1.00 12.95 C ATOM 1607 CG2 VAL B 32 27.846 24.458 10.181 1.00 14.27 C ATOM 0 H VAL B 32 25.878 25.361 11.610 1.00 14.03 H new ATOM 0 HA VAL B 32 26.199 22.553 11.306 1.00 12.14 H new ATOM 0 HB VAL B 32 28.202 24.639 12.297 1.00 12.64 H new ATOM 0 HG11 VAL B 32 29.878 23.069 11.358 1.00 12.95 H new ATOM 0 HG12 VAL B 32 28.923 22.292 12.643 1.00 12.95 H new ATOM 0 HG13 VAL B 32 28.575 21.933 10.935 1.00 12.95 H new ATOM 0 HG21 VAL B 32 28.836 24.823 9.908 1.00 14.27 H new ATOM 0 HG22 VAL B 32 27.535 23.689 9.474 1.00 14.27 H new ATOM 0 HG23 VAL B 32 27.135 25.284 10.155 1.00 14.27 H new ATOM 1617 N ILE B 33 26.750 23.641 14.388 1.00 13.72 N ATOM 1618 CA ILE B 33 26.817 23.169 15.802 1.00 9.81 C ATOM 1619 C ILE B 33 25.705 22.143 16.073 1.00 12.06 C ATOM 1620 O ILE B 33 25.942 21.079 16.610 1.00 13.15 O ATOM 1621 CB ILE B 33 26.676 24.403 16.703 1.00 11.56 C ATOM 1622 CG1 ILE B 33 28.008 25.172 16.671 1.00 12.90 C ATOM 1623 CG2 ILE B 33 26.350 23.995 18.142 1.00 12.06 C ATOM 1624 CD1 ILE B 33 27.862 26.555 17.313 1.00 11.54 C ATOM 0 H ILE B 33 26.873 24.646 14.264 1.00 13.72 H new ATOM 0 HA ILE B 33 27.765 22.670 16.005 1.00 9.81 H new ATOM 0 HB ILE B 33 25.860 25.028 16.339 1.00 11.56 H new ATOM 0 HG12 ILE B 33 28.773 24.602 17.198 1.00 12.90 H new ATOM 0 HG13 ILE B 33 28.344 25.280 15.640 1.00 12.90 H new ATOM 0 HG21 ILE B 33 26.255 24.887 18.761 1.00 12.06 H new ATOM 0 HG22 ILE B 33 25.412 23.440 18.159 1.00 12.06 H new ATOM 0 HG23 ILE B 33 27.151 23.366 18.532 1.00 12.06 H new ATOM 0 HD11 ILE B 33 28.819 27.076 17.276 1.00 11.54 H new ATOM 0 HD12 ILE B 33 27.114 27.132 16.769 1.00 11.54 H new ATOM 0 HD13 ILE B 33 27.549 26.443 18.351 1.00 11.54 H new ATOM 1636 N LEU B 34 24.506 22.453 15.690 1.00 13.55 N ATOM 1637 CA LEU B 34 23.360 21.515 15.891 1.00 16.27 C ATOM 1638 C LEU B 34 23.583 20.251 15.032 1.00 18.00 C ATOM 1639 O LEU B 34 23.325 19.146 15.467 1.00 20.35 O ATOM 1640 CB LEU B 34 22.074 22.269 15.434 1.00 15.33 C ATOM 1641 CG LEU B 34 21.098 22.751 16.585 1.00 18.88 C ATOM 1642 CD1 LEU B 34 21.634 22.576 18.012 1.00 18.63 C ATOM 1643 CD2 LEU B 34 20.772 24.241 16.386 1.00 18.04 C ATOM 0 H LEU B 34 24.260 23.333 15.236 1.00 13.55 H new ATOM 0 HA LEU B 34 23.269 21.205 16.932 1.00 16.27 H new ATOM 0 HB2 LEU B 34 22.376 23.141 14.854 1.00 15.33 H new ATOM 0 HB3 LEU B 34 21.516 21.617 14.762 1.00 15.33 H new ATOM 0 HG LEU B 34 20.221 22.110 16.499 1.00 18.88 H new ATOM 0 HD11 LEU B 34 20.893 22.935 18.726 1.00 18.63 H new ATOM 0 HD12 LEU B 34 21.836 21.521 18.198 1.00 18.63 H new ATOM 0 HD13 LEU B 34 22.555 23.147 18.127 1.00 18.63 H new ATOM 0 HD21 LEU B 34 20.100 24.575 17.177 1.00 18.04 H new ATOM 0 HD22 LEU B 34 21.693 24.823 16.422 1.00 18.04 H new ATOM 0 HD23 LEU B 34 20.291 24.382 15.418 1.00 18.04 H new ATOM 1655 N LYS B 35 24.049 20.405 13.824 1.00 16.90 N ATOM 1656 CA LYS B 35 24.274 19.209 12.949 1.00 19.51 C ATOM 1657 C LYS B 35 25.169 18.211 13.670 1.00 18.97 C ATOM 1658 O LYS B 35 25.095 17.017 13.455 1.00 18.29 O ATOM 1659 CB LYS B 35 24.955 19.644 11.643 1.00 23.32 C ATOM 1660 CG LYS B 35 24.869 18.510 10.618 1.00 27.46 C ATOM 1661 CD LYS B 35 25.389 19.001 9.265 1.00 30.03 C ATOM 1662 CE LYS B 35 25.225 17.893 8.222 1.00 33.24 C ATOM 1663 NZ LYS B 35 25.389 18.467 6.856 1.00 34.14 N ATOM 0 H LYS B 35 24.285 21.303 13.401 1.00 16.90 H new ATOM 0 HA LYS B 35 23.314 18.745 12.723 1.00 19.51 H new ATOM 0 HB2 LYS B 35 24.474 20.540 11.251 1.00 23.32 H new ATOM 0 HB3 LYS B 35 25.998 19.899 11.832 1.00 23.32 H new ATOM 0 HG2 LYS B 35 25.455 17.655 10.956 1.00 27.46 H new ATOM 0 HG3 LYS B 35 23.838 18.171 10.521 1.00 27.46 H new ATOM 0 HD2 LYS B 35 24.842 19.891 8.955 1.00 30.03 H new ATOM 0 HD3 LYS B 35 26.438 19.285 9.348 1.00 30.03 H new ATOM 0 HE2 LYS B 35 25.964 17.109 8.390 1.00 33.24 H new ATOM 0 HE3 LYS B 35 24.242 17.431 8.318 1.00 33.24 H new ATOM 0 HZ1 LYS B 35 25.278 17.714 6.147 1.00 34.14 H new ATOM 0 HZ2 LYS B 35 24.668 19.200 6.699 1.00 34.14 H new ATOM 0 HZ3 LYS B 35 26.336 18.888 6.768 1.00 34.14 H new ATOM 1677 N ASP B 36 26.022 18.697 14.516 1.00 17.40 N ATOM 1678 CA ASP B 36 26.943 17.800 15.256 1.00 17.99 C ATOM 1679 C ASP B 36 26.273 17.305 16.532 1.00 20.53 C ATOM 1680 O ASP B 36 26.321 16.137 16.864 1.00 21.50 O ATOM 1681 CB ASP B 36 28.185 18.600 15.608 1.00 17.75 C ATOM 1682 CG ASP B 36 28.669 19.323 14.349 1.00 19.30 C ATOM 1683 OD1 ASP B 36 28.907 18.652 13.359 1.00 18.21 O ATOM 1684 OD2 ASP B 36 28.794 20.536 14.397 1.00 17.31 O ATOM 0 H ASP B 36 26.123 19.689 14.730 1.00 17.40 H new ATOM 0 HA ASP B 36 27.203 16.936 14.645 1.00 17.99 H new ATOM 0 HB2 ASP B 36 27.962 19.319 16.396 1.00 17.75 H new ATOM 0 HB3 ASP B 36 28.965 17.941 15.990 1.00 17.75 H new ATOM 1689 N ALA B 37 25.655 18.191 17.250 1.00 17.76 N ATOM 1690 CA ALA B 37 24.984 17.797 18.513 1.00 20.31 C ATOM 1691 C ALA B 37 23.650 17.131 18.203 1.00 21.98 C ATOM 1692 O ALA B 37 22.686 17.288 18.926 1.00 20.93 O ATOM 1693 CB ALA B 37 24.740 19.046 19.340 1.00 16.79 C ATOM 0 H ALA B 37 25.585 19.181 17.015 1.00 17.76 H new ATOM 0 HA ALA B 37 25.613 17.096 19.062 1.00 20.31 H new ATOM 0 HB1 ALA B 37 24.247 18.774 20.273 1.00 16.79 H new ATOM 0 HB2 ALA B 37 25.692 19.528 19.560 1.00 16.79 H new ATOM 0 HB3 ALA B 37 24.105 19.734 18.781 1.00 16.79 H new ATOM 1699 N ASP B 38 23.576 16.396 17.135 1.00 22.08 N ATOM 1700 CA ASP B 38 22.292 15.738 16.792 1.00 24.70 C ATOM 1701 C ASP B 38 21.190 16.801 16.778 1.00 27.43 C ATOM 1702 O ASP B 38 20.014 16.499 16.790 1.00 26.89 O ATOM 1703 CB ASP B 38 21.983 14.662 17.841 1.00 26.17 C ATOM 1704 CG ASP B 38 21.056 13.598 17.244 1.00 26.41 C ATOM 1705 OD1 ASP B 38 21.555 12.725 16.553 1.00 29.79 O ATOM 1706 OD2 ASP B 38 19.863 13.676 17.489 1.00 30.65 O ATOM 0 H ASP B 38 24.345 16.223 16.487 1.00 22.08 H new ATOM 0 HA ASP B 38 22.352 15.266 15.812 1.00 24.70 H new ATOM 0 HB2 ASP B 38 22.909 14.199 18.183 1.00 26.17 H new ATOM 0 HB3 ASP B 38 21.514 15.117 18.713 1.00 26.17 H new ATOM 1711 N ALA B 39 21.584 18.046 16.746 1.00 25.83 N ATOM 1712 CA ALA B 39 20.604 19.165 16.722 1.00 28.40 C ATOM 1713 C ALA B 39 19.990 19.370 18.113 1.00 30.32 C ATOM 1714 O ALA B 39 19.055 20.129 18.278 1.00 32.55 O ATOM 1715 CB ALA B 39 19.512 18.865 15.691 1.00 28.82 C ATOM 0 H ALA B 39 22.561 18.337 16.735 1.00 25.83 H new ATOM 0 HA ALA B 39 21.117 20.084 16.440 1.00 28.40 H new ATOM 0 HB1 ALA B 39 18.794 19.685 15.673 1.00 28.82 H new ATOM 0 HB2 ALA B 39 19.963 18.756 14.705 1.00 28.82 H new ATOM 0 HB3 ALA B 39 19.001 17.941 15.961 1.00 28.82 H new ATOM 1721 N ASN B 40 20.509 18.715 19.119 1.00 29.50 N ATOM 1722 CA ASN B 40 19.950 18.899 20.492 1.00 32.01 C ATOM 1723 C ASN B 40 20.579 20.147 21.121 1.00 32.47 C ATOM 1724 O ASN B 40 21.719 20.137 21.539 1.00 29.40 O ATOM 1725 CB ASN B 40 20.267 17.667 21.353 1.00 33.06 C ATOM 1726 CG ASN B 40 19.263 16.552 21.050 1.00 33.55 C ATOM 1727 OD1 ASN B 40 19.678 15.464 20.468 1.00 35.11 O flip ATOM 1728 ND2 ASN B 40 18.091 16.675 21.346 1.00 33.85 N flip ATOM 0 H ASN B 40 21.291 18.064 19.051 1.00 29.50 H new ATOM 0 HA ASN B 40 18.868 19.020 20.435 1.00 32.01 H new ATOM 0 HB2 ASN B 40 21.281 17.321 21.151 1.00 33.06 H new ATOM 0 HB3 ASN B 40 20.225 17.930 22.410 1.00 33.06 H new ATOM 0 HD21 ASN B 40 17.767 17.528 21.802 1.00 33.85 H new ATOM 0 HD22 ASN B 40 17.431 15.925 21.139 1.00 33.85 H new ATOM 1735 N ILE B 41 19.843 21.223 21.183 1.00 33.58 N ATOM 1736 CA ILE B 41 20.391 22.479 21.773 1.00 35.14 C ATOM 1737 C ILE B 41 21.088 22.171 23.098 1.00 34.57 C ATOM 1738 O ILE B 41 22.250 22.473 23.276 1.00 33.97 O ATOM 1739 CB ILE B 41 19.236 23.468 21.997 1.00 38.72 C ATOM 1740 CG1 ILE B 41 18.756 23.943 20.610 1.00 39.13 C ATOM 1741 CG2 ILE B 41 19.683 24.669 22.893 1.00 40.27 C ATOM 1742 CD1 ILE B 41 17.653 24.996 20.744 1.00 40.55 C ATOM 0 H ILE B 41 18.881 21.287 20.849 1.00 33.58 H new ATOM 0 HA ILE B 41 21.121 22.919 21.093 1.00 35.14 H new ATOM 0 HB ILE B 41 18.418 22.981 22.528 1.00 38.72 H new ATOM 0 HG12 ILE B 41 19.596 24.359 20.053 1.00 39.13 H new ATOM 0 HG13 ILE B 41 18.385 23.092 20.038 1.00 39.13 H new ATOM 0 HG21 ILE B 41 18.844 25.351 23.033 1.00 40.27 H new ATOM 0 HG22 ILE B 41 20.013 24.296 23.863 1.00 40.27 H new ATOM 0 HG23 ILE B 41 20.504 25.198 22.409 1.00 40.27 H new ATOM 0 HD11 ILE B 41 17.332 25.315 19.752 1.00 40.55 H new ATOM 0 HD12 ILE B 41 16.806 24.569 21.280 1.00 40.55 H new ATOM 0 HD13 ILE B 41 18.035 25.855 21.295 1.00 40.55 H new ATOM 1754 N GLU B 42 20.395 21.582 24.030 1.00 35.46 N ATOM 1755 CA GLU B 42 21.033 21.269 25.341 1.00 34.62 C ATOM 1756 C GLU B 42 22.393 20.617 25.103 1.00 31.10 C ATOM 1757 O GLU B 42 23.373 20.956 25.732 1.00 29.48 O ATOM 1758 CB GLU B 42 20.141 20.306 26.126 1.00 40.18 C ATOM 1759 CG GLU B 42 18.794 20.973 26.408 1.00 46.15 C ATOM 1760 CD GLU B 42 17.968 20.084 27.339 1.00 50.80 C ATOM 1761 OE1 GLU B 42 18.243 18.896 27.390 1.00 53.92 O ATOM 1762 OE2 GLU B 42 17.074 20.605 27.984 1.00 52.61 O ATOM 0 H GLU B 42 19.418 21.304 23.943 1.00 35.46 H new ATOM 0 HA GLU B 42 21.164 22.190 25.909 1.00 34.62 H new ATOM 0 HB2 GLU B 42 19.992 19.387 25.559 1.00 40.18 H new ATOM 0 HB3 GLU B 42 20.624 20.028 27.063 1.00 40.18 H new ATOM 0 HG2 GLU B 42 18.949 21.951 26.865 1.00 46.15 H new ATOM 0 HG3 GLU B 42 18.256 21.139 25.475 1.00 46.15 H new ATOM 1769 N GLU B 43 22.460 19.688 24.195 1.00 26.75 N ATOM 1770 CA GLU B 43 23.759 19.019 23.913 1.00 25.31 C ATOM 1771 C GLU B 43 24.630 19.943 23.060 1.00 22.10 C ATOM 1772 O GLU B 43 25.841 19.897 23.125 1.00 21.22 O ATOM 1773 CB GLU B 43 23.508 17.711 23.158 1.00 24.85 C ATOM 1774 CG GLU B 43 24.766 16.840 23.204 1.00 27.31 C ATOM 1775 CD GLU B 43 24.903 16.213 24.592 1.00 29.91 C ATOM 1776 OE1 GLU B 43 24.064 16.492 25.432 1.00 30.00 O ATOM 1777 OE2 GLU B 43 25.845 15.463 24.791 1.00 28.72 O ATOM 0 H GLU B 43 21.672 19.362 23.635 1.00 26.75 H new ATOM 0 HA GLU B 43 24.269 18.802 24.852 1.00 25.31 H new ATOM 0 HB2 GLU B 43 22.668 17.178 23.604 1.00 24.85 H new ATOM 0 HB3 GLU B 43 23.238 17.923 22.123 1.00 24.85 H new ATOM 0 HG2 GLU B 43 24.709 16.060 22.445 1.00 27.31 H new ATOM 0 HG3 GLU B 43 25.646 17.442 22.977 1.00 27.31 H new ATOM 1784 N ALA B 44 24.027 20.787 22.261 1.00 21.46 N ATOM 1785 CA ALA B 44 24.836 21.709 21.412 1.00 22.00 C ATOM 1786 C ALA B 44 25.317 22.887 22.268 1.00 21.74 C ATOM 1787 O ALA B 44 26.412 23.382 22.101 1.00 19.07 O ATOM 1788 CB ALA B 44 23.986 22.201 20.216 1.00 22.06 C ATOM 0 H ALA B 44 23.016 20.876 22.161 1.00 21.46 H new ATOM 0 HA ALA B 44 25.706 21.186 21.016 1.00 22.00 H new ATOM 0 HB1 ALA B 44 24.581 22.874 19.599 1.00 22.06 H new ATOM 0 HB2 ALA B 44 23.669 21.346 19.619 1.00 22.06 H new ATOM 0 HB3 ALA B 44 23.108 22.730 20.587 1.00 22.06 H new ATOM 1794 N SER B 45 24.507 23.330 23.186 1.00 21.72 N ATOM 1795 CA SER B 45 24.915 24.468 24.056 1.00 24.00 C ATOM 1796 C SER B 45 26.131 24.066 24.892 1.00 24.30 C ATOM 1797 O SER B 45 27.092 24.802 25.003 1.00 23.27 O ATOM 1798 CB SER B 45 23.759 24.831 24.987 1.00 25.03 C ATOM 1799 OG SER B 45 23.707 23.898 26.062 1.00 28.51 O ATOM 0 H SER B 45 23.578 22.953 23.373 1.00 21.72 H new ATOM 0 HA SER B 45 25.171 25.326 23.434 1.00 24.00 H new ATOM 0 HB2 SER B 45 23.892 25.841 25.374 1.00 25.03 H new ATOM 0 HB3 SER B 45 22.818 24.822 24.437 1.00 25.03 H new ATOM 0 HG SER B 45 23.511 23.004 25.710 1.00 28.51 H new ATOM 1805 N ARG B 46 26.095 22.905 25.488 1.00 26.45 N ATOM 1806 CA ARG B 46 27.245 22.457 26.322 1.00 27.79 C ATOM 1807 C ARG B 46 28.549 22.647 25.543 1.00 26.86 C ATOM 1808 O ARG B 46 29.594 22.883 26.116 1.00 25.99 O ATOM 1809 CB ARG B 46 27.064 20.977 26.687 1.00 31.64 C ATOM 1810 CG ARG B 46 26.008 20.835 27.792 1.00 39.02 C ATOM 1811 CD ARG B 46 26.074 19.428 28.390 1.00 43.92 C ATOM 1812 NE ARG B 46 26.384 18.440 27.318 1.00 48.12 N ATOM 1813 CZ ARG B 46 26.773 17.235 27.635 1.00 50.42 C ATOM 1814 NH1 ARG B 46 26.889 16.896 28.891 1.00 52.31 N ATOM 1815 NH2 ARG B 46 27.045 16.367 26.698 1.00 52.39 N ATOM 0 H ARG B 46 25.317 22.247 25.433 1.00 26.45 H new ATOM 0 HA ARG B 46 27.287 23.050 27.236 1.00 27.79 H new ATOM 0 HB2 ARG B 46 26.759 20.411 25.806 1.00 31.64 H new ATOM 0 HB3 ARG B 46 28.013 20.558 27.023 1.00 31.64 H new ATOM 0 HG2 ARG B 46 26.179 21.580 28.570 1.00 39.02 H new ATOM 0 HG3 ARG B 46 25.014 21.021 27.385 1.00 39.02 H new ATOM 0 HD2 ARG B 46 26.838 19.388 29.167 1.00 43.92 H new ATOM 0 HD3 ARG B 46 25.124 19.179 28.864 1.00 43.92 H new ATOM 0 HE ARG B 46 26.292 18.705 26.337 1.00 48.12 H new ATOM 0 HH11 ARG B 46 26.676 17.573 29.624 1.00 52.31 H new ATOM 0 HH12 ARG B 46 27.193 15.954 29.139 1.00 52.31 H new ATOM 0 HH21 ARG B 46 26.954 16.630 25.717 1.00 52.39 H new ATOM 0 HH22 ARG B 46 27.349 15.426 26.947 1.00 52.39 H new ATOM 1829 N ARG B 47 28.497 22.558 24.242 1.00 22.86 N ATOM 1830 CA ARG B 47 29.738 22.747 23.436 1.00 20.88 C ATOM 1831 C ARG B 47 30.057 24.237 23.369 1.00 18.23 C ATOM 1832 O ARG B 47 31.091 24.683 23.824 1.00 21.17 O ATOM 1833 CB ARG B 47 29.522 22.198 22.023 1.00 19.97 C ATOM 1834 CG ARG B 47 28.828 20.835 22.110 1.00 21.43 C ATOM 1835 CD ARG B 47 28.668 20.229 20.708 1.00 22.98 C ATOM 1836 NE ARG B 47 28.583 18.745 20.833 1.00 20.54 N ATOM 1837 CZ ARG B 47 28.213 18.017 19.816 1.00 24.59 C ATOM 1838 NH1 ARG B 47 27.955 18.581 18.667 1.00 24.12 N ATOM 1839 NH2 ARG B 47 28.109 16.723 19.945 1.00 16.51 N ATOM 0 H ARG B 47 27.653 22.363 23.703 1.00 22.86 H new ATOM 0 HA ARG B 47 30.568 22.213 23.899 1.00 20.88 H new ATOM 0 HB2 ARG B 47 28.916 22.891 21.440 1.00 19.97 H new ATOM 0 HB3 ARG B 47 30.478 22.100 21.508 1.00 19.97 H new ATOM 0 HG2 ARG B 47 29.410 20.162 22.740 1.00 21.43 H new ATOM 0 HG3 ARG B 47 27.851 20.946 22.580 1.00 21.43 H new ATOM 0 HD2 ARG B 47 27.771 20.619 20.228 1.00 22.98 H new ATOM 0 HD3 ARG B 47 29.513 20.507 20.078 1.00 22.98 H new ATOM 0 HE ARG B 47 28.816 18.297 21.719 1.00 20.54 H new ATOM 0 HH11 ARG B 47 28.043 19.592 18.564 1.00 24.12 H new ATOM 0 HH12 ARG B 47 27.666 18.011 17.872 1.00 24.12 H new ATOM 0 HH21 ARG B 47 28.317 16.281 20.841 1.00 16.51 H new ATOM 0 HH22 ARG B 47 27.820 16.153 19.150 1.00 16.51 H new ATOM 1853 N ILE B 48 29.158 25.014 22.831 1.00 16.11 N ATOM 1854 CA ILE B 48 29.379 26.488 22.760 1.00 18.86 C ATOM 1855 C ILE B 48 29.847 26.961 24.125 1.00 23.26 C ATOM 1856 O ILE B 48 30.898 27.550 24.275 1.00 21.90 O ATOM 1857 CB ILE B 48 28.061 27.164 22.405 1.00 18.65 C ATOM 1858 CG1 ILE B 48 27.494 26.484 21.160 1.00 19.26 C ATOM 1859 CG2 ILE B 48 28.311 28.646 22.129 1.00 21.02 C ATOM 1860 CD1 ILE B 48 26.270 27.250 20.646 1.00 15.25 C ATOM 0 H ILE B 48 28.275 24.691 22.435 1.00 16.11 H new ATOM 0 HA ILE B 48 30.125 26.734 22.005 1.00 18.86 H new ATOM 0 HB ILE B 48 27.351 27.077 23.228 1.00 18.65 H new ATOM 0 HG12 ILE B 48 28.257 26.440 20.382 1.00 19.26 H new ATOM 0 HG13 ILE B 48 27.217 25.456 21.393 1.00 19.26 H new ATOM 0 HG21 ILE B 48 27.369 29.133 21.875 1.00 21.02 H new ATOM 0 HG22 ILE B 48 28.734 29.115 23.017 1.00 21.02 H new ATOM 0 HG23 ILE B 48 29.009 28.749 21.298 1.00 21.02 H new ATOM 0 HD11 ILE B 48 25.877 26.754 19.759 1.00 15.25 H new ATOM 0 HD12 ILE B 48 25.503 27.271 21.420 1.00 15.25 H new ATOM 0 HD13 ILE B 48 26.559 28.270 20.393 1.00 15.25 H new ATOM 1872 N GLU B 49 29.072 26.672 25.123 1.00 24.41 N ATOM 1873 CA GLU B 49 29.436 27.059 26.510 1.00 29.72 C ATOM 1874 C GLU B 49 30.902 26.750 26.766 1.00 31.01 C ATOM 1875 O GLU B 49 31.704 27.628 27.018 1.00 30.32 O ATOM 1876 CB GLU B 49 28.630 26.197 27.461 1.00 30.86 C ATOM 1877 CG GLU B 49 27.186 26.700 27.549 1.00 35.37 C ATOM 1878 CD GLU B 49 26.486 26.033 28.734 1.00 37.77 C ATOM 1879 OE1 GLU B 49 26.981 26.166 29.841 1.00 38.92 O ATOM 1880 OE2 GLU B 49 25.466 25.400 28.514 1.00 38.78 O ATOM 0 H GLU B 49 28.185 26.175 25.037 1.00 24.41 H new ATOM 0 HA GLU B 49 29.243 28.122 26.652 1.00 29.72 H new ATOM 0 HB2 GLU B 49 28.640 25.162 27.120 1.00 30.86 H new ATOM 0 HB3 GLU B 49 29.087 26.211 28.450 1.00 30.86 H new ATOM 0 HG2 GLU B 49 27.173 27.783 27.668 1.00 35.37 H new ATOM 0 HG3 GLU B 49 26.654 26.475 26.625 1.00 35.37 H new ATOM 1887 N GLU B 50 31.259 25.494 26.688 1.00 31.22 N ATOM 1888 CA GLU B 50 32.675 25.116 26.909 1.00 30.52 C ATOM 1889 C GLU B 50 33.493 26.012 26.008 1.00 30.97 C ATOM 1890 O GLU B 50 34.467 26.584 26.403 1.00 30.11 O ATOM 1891 CB GLU B 50 32.870 23.630 26.540 1.00 33.65 C ATOM 1892 CG GLU B 50 34.003 23.015 27.371 1.00 34.45 C ATOM 1893 CD GLU B 50 34.070 21.510 27.106 1.00 36.26 C ATOM 1894 OE1 GLU B 50 33.161 20.813 27.527 1.00 36.07 O ATOM 1895 OE2 GLU B 50 35.029 21.080 26.486 1.00 35.94 O ATOM 0 H GLU B 50 30.628 24.720 26.481 1.00 31.22 H new ATOM 0 HA GLU B 50 32.979 25.237 27.949 1.00 30.52 H new ATOM 0 HB2 GLU B 50 31.944 23.081 26.714 1.00 33.65 H new ATOM 0 HB3 GLU B 50 33.099 23.540 25.478 1.00 33.65 H new ATOM 0 HG2 GLU B 50 34.953 23.483 27.113 1.00 34.45 H new ATOM 0 HG3 GLU B 50 33.833 23.201 28.431 1.00 34.45 H new ATOM 1902 N GLY B 51 33.038 26.171 24.810 1.00 0.00 N ATOM 1903 CA GLY B 51 33.728 27.059 23.843 1.00 0.00 C ATOM 1904 C GLY B 51 33.898 28.462 24.444 1.00 0.00 C ATOM 1905 O GLY B 51 34.988 28.961 24.628 1.00 0.00 O ATOM 0 H GLY B 51 32.200 25.716 24.448 1.00 0.00 H new ATOM 0 HA2 GLY B 51 34.703 26.644 23.587 1.00 0.00 H new ATOM 0 HA3 GLY B 51 33.154 27.118 22.918 1.00 0.00 H new ATOM 1909 N GLN B 52 32.805 29.112 24.733 1.00 30.19 N ATOM 1910 CA GLN B 52 32.873 30.492 25.306 1.00 33.26 C ATOM 1911 C GLN B 52 33.885 30.499 26.436 1.00 34.21 C ATOM 1912 O GLN B 52 34.783 31.314 26.492 1.00 33.27 O ATOM 1913 CB GLN B 52 31.505 30.888 25.872 1.00 34.36 C ATOM 1914 CG GLN B 52 30.399 30.663 24.821 1.00 37.06 C ATOM 1915 CD GLN B 52 30.178 31.931 23.993 1.00 39.18 C ATOM 1916 OE1 GLN B 52 28.986 32.182 23.526 1.00 39.82 O flip ATOM 1917 NE2 GLN B 52 31.094 32.697 23.770 1.00 40.80 N flip ATOM 0 H GLN B 52 31.862 28.748 24.597 1.00 30.19 H new ATOM 0 HA GLN B 52 33.162 31.196 24.526 1.00 33.26 H new ATOM 0 HB2 GLN B 52 31.291 30.301 26.765 1.00 34.36 H new ATOM 0 HB3 GLN B 52 31.519 31.935 26.175 1.00 34.36 H new ATOM 0 HG2 GLN B 52 30.675 29.837 24.165 1.00 37.06 H new ATOM 0 HG3 GLN B 52 29.471 30.379 25.317 1.00 37.06 H new ATOM 0 HE21 GLN B 52 32.025 32.499 24.136 1.00 40.80 H new ATOM 0 HE22 GLN B 52 30.932 33.538 23.217 1.00 40.80 H new ATOM 1926 N TYR B 53 33.744 29.571 27.327 1.00 35.76 N ATOM 1927 CA TYR B 53 34.690 29.475 28.461 1.00 38.60 C ATOM 1928 C TYR B 53 36.055 29.089 27.902 1.00 39.68 C ATOM 1929 O TYR B 53 37.070 29.661 28.233 1.00 39.52 O ATOM 1930 CB TYR B 53 34.194 28.386 29.425 1.00 40.83 C ATOM 1931 CG TYR B 53 35.334 27.893 30.287 1.00 43.21 C ATOM 1932 CD1 TYR B 53 36.227 26.943 29.787 1.00 44.13 C ATOM 1933 CD2 TYR B 53 35.496 28.394 31.572 1.00 43.89 C ATOM 1934 CE1 TYR B 53 37.282 26.492 30.574 1.00 47.20 C ATOM 1935 CE2 TYR B 53 36.554 27.945 32.372 1.00 46.12 C ATOM 1936 CZ TYR B 53 37.449 26.991 31.872 1.00 46.20 C ATOM 1937 OH TYR B 53 38.493 26.545 32.655 1.00 48.95 O ATOM 0 H TYR B 53 33.006 28.867 27.319 1.00 35.76 H new ATOM 0 HA TYR B 53 34.761 30.423 28.995 1.00 38.60 H new ATOM 0 HB2 TYR B 53 33.398 28.783 30.055 1.00 40.83 H new ATOM 0 HB3 TYR B 53 33.770 27.556 28.860 1.00 40.83 H new ATOM 0 HD1 TYR B 53 36.098 26.557 28.786 1.00 44.13 H new ATOM 0 HD2 TYR B 53 34.805 29.131 31.955 1.00 43.89 H new ATOM 0 HE1 TYR B 53 37.972 25.758 30.184 1.00 47.20 H new ATOM 0 HE2 TYR B 53 36.679 28.333 33.372 1.00 46.12 H new ATOM 0 HH TYR B 53 39.090 25.984 32.116 1.00 48.95 H new ATOM 1947 N VAL B 54 36.066 28.109 27.057 1.00 39.35 N ATOM 1948 CA VAL B 54 37.333 27.635 26.453 1.00 40.00 C ATOM 1949 C VAL B 54 38.080 28.842 25.875 1.00 40.47 C ATOM 1950 O VAL B 54 39.165 29.183 26.302 1.00 39.23 O ATOM 1951 CB VAL B 54 36.940 26.652 25.347 1.00 40.33 C ATOM 1952 CG1 VAL B 54 38.021 26.523 24.303 1.00 40.58 C ATOM 1953 CG2 VAL B 54 36.586 25.253 25.920 1.00 39.92 C ATOM 0 H VAL B 54 35.234 27.605 26.752 1.00 39.35 H new ATOM 0 HA VAL B 54 37.986 27.148 27.177 1.00 40.00 H new ATOM 0 HB VAL B 54 36.050 27.063 24.870 1.00 40.33 H new ATOM 0 HG11 VAL B 54 37.704 25.817 23.536 1.00 40.58 H new ATOM 0 HG12 VAL B 54 38.204 27.496 23.847 1.00 40.58 H new ATOM 0 HG13 VAL B 54 38.937 26.163 24.771 1.00 40.58 H new ATOM 0 HG21 VAL B 54 36.312 24.584 25.104 1.00 39.92 H new ATOM 0 HG22 VAL B 54 37.449 24.847 26.448 1.00 39.92 H new ATOM 0 HG23 VAL B 54 35.748 25.344 26.611 1.00 39.92 H new ATOM 1963 N VAL B 55 37.492 29.490 24.911 1.00 40.13 N ATOM 1964 CA VAL B 55 38.142 30.679 24.299 1.00 42.29 C ATOM 1965 C VAL B 55 38.431 31.699 25.399 1.00 43.82 C ATOM 1966 O VAL B 55 39.560 32.090 25.616 1.00 43.78 O ATOM 1967 CB VAL B 55 37.192 31.284 23.255 1.00 41.62 C ATOM 1968 CG1 VAL B 55 37.864 32.465 22.533 1.00 42.45 C ATOM 1969 CG2 VAL B 55 36.816 30.201 22.236 1.00 41.12 C ATOM 0 H VAL B 55 36.583 29.245 24.518 1.00 40.13 H new ATOM 0 HA VAL B 55 39.076 30.397 23.812 1.00 42.29 H new ATOM 0 HB VAL B 55 36.297 31.651 23.756 1.00 41.62 H new ATOM 0 HG11 VAL B 55 37.176 32.881 21.797 1.00 42.45 H new ATOM 0 HG12 VAL B 55 38.126 33.234 23.260 1.00 42.45 H new ATOM 0 HG13 VAL B 55 38.767 32.118 22.030 1.00 42.45 H new ATOM 0 HG21 VAL B 55 36.141 30.622 21.490 1.00 41.12 H new ATOM 0 HG22 VAL B 55 37.717 29.835 21.744 1.00 41.12 H new ATOM 0 HG23 VAL B 55 36.322 29.375 22.748 1.00 41.12 H new ATOM 1979 N ASN B 56 37.419 32.128 26.104 1.00 44.48 N ATOM 1980 CA ASN B 56 37.645 33.115 27.195 1.00 47.06 C ATOM 1981 C ASN B 56 38.791 32.615 28.074 1.00 47.69 C ATOM 1982 O ASN B 56 39.754 33.313 28.317 1.00 47.82 O ATOM 1983 CB ASN B 56 36.371 33.250 28.033 1.00 46.90 C ATOM 1984 CG ASN B 56 35.245 33.806 27.160 1.00 47.81 C ATOM 1985 OD1 ASN B 56 35.474 34.215 26.039 1.00 48.43 O ATOM 1986 ND2 ASN B 56 34.028 33.837 27.629 1.00 47.03 N ATOM 0 H ASN B 56 36.450 31.838 25.971 1.00 44.48 H new ATOM 0 HA ASN B 56 37.898 34.088 26.775 1.00 47.06 H new ATOM 0 HB2 ASN B 56 36.086 32.280 28.440 1.00 46.90 H new ATOM 0 HB3 ASN B 56 36.549 33.911 28.881 1.00 46.90 H new ATOM 0 HD21 ASN B 56 33.269 34.204 27.055 1.00 47.03 H new ATOM 0 HD22 ASN B 56 33.835 33.494 28.570 1.00 47.03 H new ATOM 1993 N GLU B 57 38.700 31.396 28.531 1.00 49.57 N ATOM 1994 CA GLU B 57 39.785 30.828 29.377 1.00 51.35 C ATOM 1995 C GLU B 57 41.129 31.068 28.688 1.00 52.18 C ATOM 1996 O GLU B 57 42.050 31.603 29.273 1.00 52.13 O ATOM 1997 CB GLU B 57 39.552 29.322 29.546 1.00 52.66 C ATOM 1998 CG GLU B 57 40.588 28.735 30.506 1.00 53.83 C ATOM 1999 CD GLU B 57 40.431 27.214 30.558 1.00 55.85 C ATOM 2000 OE1 GLU B 57 40.080 26.639 29.541 1.00 57.10 O ATOM 2001 OE2 GLU B 57 40.666 26.649 31.614 1.00 56.34 O ATOM 0 H GLU B 57 37.917 30.767 28.353 1.00 49.57 H new ATOM 0 HA GLU B 57 39.787 31.306 30.356 1.00 51.35 H new ATOM 0 HB2 GLU B 57 38.547 29.142 29.928 1.00 52.66 H new ATOM 0 HB3 GLU B 57 39.619 28.825 28.578 1.00 52.66 H new ATOM 0 HG2 GLU B 57 41.594 28.996 30.177 1.00 53.83 H new ATOM 0 HG3 GLU B 57 40.458 29.159 31.502 1.00 53.83 H new