USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=23 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 15:sc= -0.598 USER MOD Set 1.2: B 52 GLN : amide:sc= -0.476 K(o=-1.1,f=-3.2!) USER MOD Set 2.1: A 22 TYR OH : rot 150:sc= -0.642 USER MOD Set 2.2: A 52 GLN : amide:sc= -0.666 K(o=-1.3,f=-3.4!) USER MOD Set 3.1: A 13 CYS SG : rot -94:sc= -3.73! USER MOD Set 3.2: A 27 MET CE :methyl -156:sc= -0.447 (180deg=-2.78!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= -1.54 F(o=-3.6,f=-1.5) USER MOD Single : A 15 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00955) USER MOD Single : A 19 LYS NZ :NH3+ -161:sc= -0.0732 (180deg=-0.609) USER MOD Single : A 30 MET CE :methyl -157:sc= -3.65 (180deg=-6.64!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= -0.0136 (180deg=-0.27) USER MOD Single : A 40 ASN : amide:sc= -0.0743 K(o=-0.074,f=-1.8!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.451 USER MOD Single : A 53 TYR OH : rot 15:sc= 0.354 USER MOD Single : A 56 ASN : amide:sc= -7.51! C(o=-7.5!,f=-17!) USER MOD Single : A 58 TYR OH : rot 14:sc= 0.213 USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 CYS SG : rot 67:sc= -1.61 USER MOD Single : B 14 GLN :FLIP amide:sc= -2.8 F(o=-4.1!,f=-2.8) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0764) USER MOD Single : B 27 MET CE :methyl -143:sc= -0.853 (180deg=-3.89!) USER MOD Single : B 30 MET CE :methyl -160:sc= -3.28! (180deg=-5.14!) 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 : amide:sc= -0.0275 K(o=-0.027,f=-1.8!) USER MOD Single : B 45 SER OG : rot 180:sc= -0.474 USER MOD Single : B 53 TYR OH : rot 122:sc= 0.404 USER MOD Single : B 56 ASN : amide:sc= -2.65! C(o=-2.6!,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 106 N PHE A 9 44.321 22.575 18.036 1.00 44.59 N ATOM 107 CA PHE A 9 42.858 22.781 17.988 1.00 42.14 C ATOM 108 C PHE A 9 42.580 24.267 17.762 1.00 41.09 C ATOM 109 O PHE A 9 42.006 24.658 16.765 1.00 40.10 O ATOM 110 CB PHE A 9 42.235 22.325 19.319 1.00 39.48 C ATOM 111 CG PHE A 9 40.797 21.973 19.082 1.00 35.93 C ATOM 112 CD1 PHE A 9 39.831 22.980 19.085 1.00 33.89 C ATOM 113 CD2 PHE A 9 40.434 20.647 18.839 1.00 34.84 C ATOM 114 CE1 PHE A 9 38.498 22.660 18.847 1.00 31.72 C ATOM 115 CE2 PHE A 9 39.100 20.330 18.599 1.00 33.98 C ATOM 116 CZ PHE A 9 38.134 21.340 18.604 1.00 33.09 C ATOM 0 HA PHE A 9 42.421 22.200 17.176 1.00 42.14 H new ATOM 0 HB2 PHE A 9 42.775 21.464 19.713 1.00 39.48 H new ATOM 0 HB3 PHE A 9 42.312 23.118 20.063 1.00 39.48 H new ATOM 0 HD1 PHE A 9 40.117 24.005 19.271 1.00 33.89 H new ATOM 0 HD2 PHE A 9 41.185 19.871 18.837 1.00 34.84 H new ATOM 0 HE1 PHE A 9 37.747 23.436 18.851 1.00 31.72 H new ATOM 0 HE2 PHE A 9 38.812 19.306 18.409 1.00 33.98 H new ATOM 0 HZ PHE A 9 37.099 21.094 18.418 1.00 33.09 H new ATOM 126 N LEU A 10 42.995 25.100 18.676 1.00 40.61 N ATOM 127 CA LEU A 10 42.766 26.557 18.503 1.00 40.95 C ATOM 128 C LEU A 10 43.434 27.008 17.208 1.00 41.08 C ATOM 129 O LEU A 10 42.948 27.880 16.518 1.00 37.24 O ATOM 130 CB LEU A 10 43.354 27.316 19.687 1.00 41.66 C ATOM 131 CG LEU A 10 42.864 26.683 20.991 1.00 43.24 C ATOM 132 CD1 LEU A 10 43.478 27.427 22.164 1.00 42.19 C ATOM 133 CD2 LEU A 10 41.338 26.777 21.083 1.00 41.41 C ATOM 0 H LEU A 10 43.481 24.833 19.532 1.00 40.61 H new ATOM 0 HA LEU A 10 41.697 26.762 18.455 1.00 40.95 H new ATOM 0 HB2 LEU A 10 44.443 27.291 19.645 1.00 41.66 H new ATOM 0 HB3 LEU A 10 43.057 28.364 19.645 1.00 41.66 H new ATOM 0 HG LEU A 10 43.159 25.634 21.013 1.00 43.24 H new ATOM 0 HD11 LEU A 10 43.134 26.982 23.098 1.00 42.19 H new ATOM 0 HD12 LEU A 10 44.565 27.360 22.109 1.00 42.19 H new ATOM 0 HD13 LEU A 10 43.177 28.474 22.129 1.00 42.19 H new ATOM 0 HD21 LEU A 10 41.001 26.323 22.015 1.00 41.41 H new ATOM 0 HD22 LEU A 10 41.036 27.824 21.059 1.00 41.41 H new ATOM 0 HD23 LEU A 10 40.890 26.251 20.240 1.00 41.41 H new ATOM 145 N ASP A 11 44.537 26.408 16.851 1.00 41.30 N ATOM 146 CA ASP A 11 45.192 26.806 15.579 1.00 41.83 C ATOM 147 C ASP A 11 44.178 26.597 14.461 1.00 40.90 C ATOM 148 O ASP A 11 43.804 27.527 13.774 1.00 39.80 O ATOM 149 CB ASP A 11 46.428 25.943 15.321 1.00 44.60 C ATOM 150 CG ASP A 11 47.393 26.059 16.503 1.00 47.53 C ATOM 151 OD1 ASP A 11 47.172 26.918 17.340 1.00 48.56 O ATOM 152 OD2 ASP A 11 48.337 25.287 16.550 1.00 48.01 O ATOM 0 H ASP A 11 45.005 25.671 17.378 1.00 41.30 H new ATOM 0 HA ASP A 11 45.512 27.847 15.628 1.00 41.83 H new ATOM 0 HB2 ASP A 11 46.134 24.903 15.179 1.00 44.60 H new ATOM 0 HB3 ASP A 11 46.922 26.263 14.403 1.00 44.60 H new ATOM 157 N TYR A 12 43.694 25.388 14.287 1.00 39.29 N ATOM 158 CA TYR A 12 42.675 25.161 13.225 1.00 38.27 C ATOM 159 C TYR A 12 41.566 26.183 13.421 1.00 34.82 C ATOM 160 O TYR A 12 41.167 26.877 12.508 1.00 33.76 O ATOM 161 CB TYR A 12 42.045 23.771 13.339 1.00 42.68 C ATOM 162 CG TYR A 12 43.049 22.651 13.116 1.00 45.94 C ATOM 163 CD1 TYR A 12 43.953 22.671 12.034 1.00 47.36 C ATOM 164 CD2 TYR A 12 43.042 21.555 13.986 1.00 48.31 C ATOM 165 CE1 TYR A 12 44.831 21.597 11.839 1.00 48.74 C ATOM 166 CE2 TYR A 12 43.916 20.495 13.790 1.00 49.78 C ATOM 167 CZ TYR A 12 44.811 20.509 12.716 1.00 49.89 C ATOM 168 OH TYR A 12 45.676 19.450 12.524 1.00 52.12 O ATOM 0 H TYR A 12 43.959 24.564 14.828 1.00 39.29 H new ATOM 0 HA TYR A 12 43.159 25.250 12.253 1.00 38.27 H new ATOM 0 HB2 TYR A 12 41.596 23.660 14.326 1.00 42.68 H new ATOM 0 HB3 TYR A 12 41.239 23.681 12.611 1.00 42.68 H new ATOM 0 HD1 TYR A 12 43.968 23.512 11.357 1.00 47.36 H new ATOM 0 HD2 TYR A 12 42.351 21.534 14.816 1.00 48.31 H new ATOM 0 HE1 TYR A 12 45.524 21.610 11.011 1.00 48.74 H new ATOM 0 HE2 TYR A 12 43.905 19.656 14.470 1.00 49.78 H new ATOM 0 HH TYR A 12 45.532 18.779 13.223 1.00 52.12 H new ATOM 178 N CYS A 13 41.080 26.282 14.628 1.00 32.26 N ATOM 179 CA CYS A 13 40.006 27.262 14.932 1.00 30.43 C ATOM 180 C CYS A 13 40.386 28.602 14.307 1.00 30.74 C ATOM 181 O CYS A 13 39.633 29.177 13.553 1.00 28.86 O ATOM 182 CB CYS A 13 39.881 27.399 16.456 1.00 30.34 C ATOM 183 SG CYS A 13 38.262 28.066 16.901 1.00 24.58 S ATOM 0 H CYS A 13 41.386 25.719 15.422 1.00 32.26 H new ATOM 0 HA CYS A 13 39.050 26.932 14.526 1.00 30.43 H new ATOM 0 HB2 CYS A 13 40.022 26.426 16.927 1.00 30.34 H new ATOM 0 HB3 CYS A 13 40.667 28.053 16.834 1.00 30.34 H new ATOM 0 HG CYS A 13 38.344 29.357 17.025 1.00 24.58 H new ATOM 189 N GLN A 14 41.564 29.084 14.599 1.00 32.92 N ATOM 190 CA GLN A 14 42.010 30.376 14.012 1.00 34.93 C ATOM 191 C GLN A 14 42.033 30.254 12.483 1.00 35.74 C ATOM 192 O GLN A 14 41.467 31.064 11.782 1.00 35.15 O ATOM 193 CB GLN A 14 43.410 30.723 14.544 1.00 36.23 C ATOM 194 CG GLN A 14 43.632 32.239 14.497 1.00 40.72 C ATOM 195 CD GLN A 14 43.728 32.700 13.042 1.00 42.88 C ATOM 196 OE1 GLN A 14 42.685 33.237 12.470 1.00 45.84 O flip ATOM 197 NE2 GLN A 14 44.763 32.572 12.419 1.00 44.23 N flip ATOM 0 H GLN A 14 42.237 28.636 15.221 1.00 32.92 H new ATOM 0 HA GLN A 14 41.321 31.172 14.294 1.00 34.93 H new ATOM 0 HB2 GLN A 14 43.518 30.364 15.567 1.00 36.23 H new ATOM 0 HB3 GLN A 14 44.170 30.218 13.947 1.00 36.23 H new ATOM 0 HG2 GLN A 14 42.811 32.752 14.998 1.00 40.72 H new ATOM 0 HG3 GLN A 14 44.545 32.500 15.032 1.00 40.72 H new ATOM 0 HE21 GLN A 14 45.578 32.152 12.866 1.00 44.23 H new ATOM 0 HE22 GLN A 14 44.817 32.884 11.449 1.00 44.23 H new ATOM 206 N LYS A 15 42.658 29.241 11.946 1.00 35.66 N ATOM 207 CA LYS A 15 42.656 29.104 10.462 1.00 36.27 C ATOM 208 C LYS A 15 41.192 29.123 10.011 1.00 34.97 C ATOM 209 O LYS A 15 40.783 29.938 9.217 1.00 34.84 O ATOM 210 CB LYS A 15 43.308 27.773 10.050 1.00 40.22 C ATOM 211 CG LYS A 15 44.827 27.916 9.913 1.00 44.18 C ATOM 212 CD LYS A 15 45.480 27.945 11.298 1.00 47.52 C ATOM 213 CE LYS A 15 46.994 27.817 11.150 1.00 50.10 C ATOM 214 NZ LYS A 15 47.552 29.088 10.608 1.00 50.42 N ATOM 0 H LYS A 15 43.160 28.516 12.458 1.00 35.66 H new ATOM 0 HA LYS A 15 43.221 29.914 10.000 1.00 36.27 H new ATOM 0 HB2 LYS A 15 43.078 27.008 10.792 1.00 40.22 H new ATOM 0 HB3 LYS A 15 42.885 27.436 9.103 1.00 40.22 H new ATOM 0 HG2 LYS A 15 45.227 27.086 9.331 1.00 44.18 H new ATOM 0 HG3 LYS A 15 45.067 28.830 9.370 1.00 44.18 H new ATOM 0 HD2 LYS A 15 45.231 28.875 11.810 1.00 47.52 H new ATOM 0 HD3 LYS A 15 45.094 27.131 11.911 1.00 47.52 H new ATOM 0 HE2 LYS A 15 47.446 27.592 12.116 1.00 50.10 H new ATOM 0 HE3 LYS A 15 47.236 26.989 10.484 1.00 50.10 H new ATOM 0 HZ1 LYS A 15 48.587 29.011 10.540 1.00 50.42 H new ATOM 0 HZ2 LYS A 15 47.155 29.267 9.664 1.00 50.42 H new ATOM 0 HZ3 LYS A 15 47.304 29.874 11.242 1.00 50.42 H new ATOM 228 N LEU A 16 40.384 28.248 10.542 1.00 31.52 N ATOM 229 CA LEU A 16 38.947 28.255 10.157 1.00 30.64 C ATOM 230 C LEU A 16 38.426 29.682 10.338 1.00 29.20 C ATOM 231 O LEU A 16 37.705 30.211 9.515 1.00 30.83 O ATOM 232 CB LEU A 16 38.178 27.276 11.063 1.00 29.49 C ATOM 233 CG LEU A 16 36.901 26.772 10.364 1.00 29.11 C ATOM 234 CD1 LEU A 16 37.259 25.976 9.094 1.00 29.81 C ATOM 235 CD2 LEU A 16 36.119 25.872 11.336 1.00 25.98 C ATOM 0 H LEU A 16 40.654 27.535 11.220 1.00 31.52 H new ATOM 0 HA LEU A 16 38.812 27.942 9.122 1.00 30.64 H new ATOM 0 HB2 LEU A 16 38.817 26.430 11.317 1.00 29.49 H new ATOM 0 HB3 LEU A 16 37.915 27.769 11.999 1.00 29.49 H new ATOM 0 HG LEU A 16 36.290 27.627 10.075 1.00 29.11 H new ATOM 0 HD11 LEU A 16 36.345 25.628 8.613 1.00 29.81 H new ATOM 0 HD12 LEU A 16 37.809 26.617 8.406 1.00 29.81 H new ATOM 0 HD13 LEU A 16 37.876 25.119 9.364 1.00 29.81 H new ATOM 0 HD21 LEU A 16 35.213 25.511 10.849 1.00 25.98 H new ATOM 0 HD22 LEU A 16 36.739 25.023 11.625 1.00 25.98 H new ATOM 0 HD23 LEU A 16 35.850 26.443 12.224 1.00 25.98 H new ATOM 247 N LEU A 17 38.832 30.310 11.403 1.00 27.96 N ATOM 248 CA LEU A 17 38.421 31.717 11.657 1.00 28.93 C ATOM 249 C LEU A 17 38.974 32.591 10.525 1.00 30.06 C ATOM 250 O LEU A 17 38.337 33.521 10.070 1.00 30.41 O ATOM 251 CB LEU A 17 39.020 32.177 12.999 1.00 24.89 C ATOM 252 CG LEU A 17 38.218 33.362 13.582 1.00 25.03 C ATOM 253 CD1 LEU A 17 37.067 32.842 14.462 1.00 21.31 C ATOM 254 CD2 LEU A 17 39.136 34.249 14.440 1.00 20.22 C ATOM 0 H LEU A 17 39.438 29.904 12.116 1.00 27.96 H new ATOM 0 HA LEU A 17 37.335 31.799 11.697 1.00 28.93 H new ATOM 0 HB2 LEU A 17 39.018 31.348 13.706 1.00 24.89 H new ATOM 0 HB3 LEU A 17 40.060 32.471 12.856 1.00 24.89 H new ATOM 0 HG LEU A 17 37.813 33.943 12.754 1.00 25.03 H new ATOM 0 HD11 LEU A 17 36.509 33.686 14.867 1.00 21.31 H new ATOM 0 HD12 LEU A 17 36.402 32.222 13.862 1.00 21.31 H new ATOM 0 HD13 LEU A 17 37.474 32.249 15.281 1.00 21.31 H new ATOM 0 HD21 LEU A 17 38.561 35.081 14.846 1.00 20.22 H new ATOM 0 HD22 LEU A 17 39.550 33.660 15.258 1.00 20.22 H new ATOM 0 HD23 LEU A 17 39.948 34.635 13.824 1.00 20.22 H new ATOM 266 N GLU A 18 40.167 32.292 10.077 1.00 32.20 N ATOM 267 CA GLU A 18 40.787 33.091 8.982 1.00 35.35 C ATOM 268 C GLU A 18 40.188 32.651 7.638 1.00 35.74 C ATOM 269 O GLU A 18 39.904 33.460 6.779 1.00 35.74 O ATOM 270 CB GLU A 18 42.331 32.894 9.028 1.00 37.07 C ATOM 271 CG GLU A 18 42.836 31.960 7.912 1.00 39.76 C ATOM 272 CD GLU A 18 44.330 31.696 8.108 1.00 41.67 C ATOM 273 OE1 GLU A 18 44.742 31.552 9.247 1.00 43.93 O ATOM 274 OE2 GLU A 18 45.036 31.642 7.115 1.00 43.25 O ATOM 0 H GLU A 18 40.740 31.524 10.426 1.00 32.20 H new ATOM 0 HA GLU A 18 40.579 34.154 9.106 1.00 35.35 H new ATOM 0 HB2 GLU A 18 42.821 33.863 8.937 1.00 37.07 H new ATOM 0 HB3 GLU A 18 42.614 32.484 9.997 1.00 37.07 H new ATOM 0 HG2 GLU A 18 42.284 31.020 7.931 1.00 39.76 H new ATOM 0 HG3 GLU A 18 42.660 32.413 6.936 1.00 39.76 H new ATOM 281 N LYS A 19 39.989 31.374 7.458 1.00 37.19 N ATOM 282 CA LYS A 19 39.402 30.884 6.183 1.00 36.85 C ATOM 283 C LYS A 19 38.091 31.625 5.920 1.00 36.69 C ATOM 284 O LYS A 19 37.842 32.112 4.835 1.00 36.88 O ATOM 285 CB LYS A 19 39.143 29.387 6.291 1.00 36.86 C ATOM 286 CG LYS A 19 39.095 28.789 4.887 1.00 40.15 C ATOM 287 CD LYS A 19 38.591 27.373 4.993 1.00 41.50 C ATOM 288 CE LYS A 19 38.648 26.692 3.625 1.00 44.93 C ATOM 289 NZ LYS A 19 37.943 27.536 2.620 1.00 44.88 N ATOM 0 H LYS A 19 40.209 30.649 8.141 1.00 37.19 H new ATOM 0 HA LYS A 19 40.091 31.068 5.359 1.00 36.85 H new ATOM 0 HB2 LYS A 19 39.929 28.910 6.877 1.00 36.86 H new ATOM 0 HB3 LYS A 19 38.202 29.204 6.811 1.00 36.86 H new ATOM 0 HG2 LYS A 19 38.440 29.378 4.245 1.00 40.15 H new ATOM 0 HG3 LYS A 19 40.086 28.806 4.433 1.00 40.15 H new ATOM 0 HD2 LYS A 19 39.194 26.817 5.710 1.00 41.50 H new ATOM 0 HD3 LYS A 19 37.567 27.370 5.367 1.00 41.50 H new ATOM 0 HE2 LYS A 19 39.685 26.541 3.325 1.00 44.93 H new ATOM 0 HE3 LYS A 19 38.184 25.707 3.678 1.00 44.93 H new ATOM 0 HZ1 LYS A 19 37.697 26.957 1.792 1.00 44.88 H new ATOM 0 HZ2 LYS A 19 37.075 27.925 3.041 1.00 44.88 H new ATOM 0 HZ3 LYS A 19 38.564 28.316 2.325 1.00 44.88 H new ATOM 303 N PHE A 20 37.253 31.712 6.917 1.00 34.99 N ATOM 304 CA PHE A 20 35.953 32.416 6.764 1.00 34.93 C ATOM 305 C PHE A 20 36.105 33.859 7.249 1.00 34.32 C ATOM 306 O PHE A 20 35.166 34.629 7.252 1.00 35.01 O ATOM 307 CB PHE A 20 34.916 31.695 7.617 1.00 34.20 C ATOM 308 CG PHE A 20 34.529 30.399 6.950 1.00 33.79 C ATOM 309 CD1 PHE A 20 35.279 29.242 7.188 1.00 32.30 C ATOM 310 CD2 PHE A 20 33.431 30.357 6.087 1.00 34.75 C ATOM 311 CE1 PHE A 20 34.928 28.042 6.563 1.00 34.86 C ATOM 312 CE2 PHE A 20 33.081 29.159 5.458 1.00 35.66 C ATOM 313 CZ PHE A 20 33.830 28.000 5.697 1.00 35.69 C ATOM 0 H PHE A 20 37.419 31.319 7.843 1.00 34.99 H new ATOM 0 HA PHE A 20 35.640 32.420 5.720 1.00 34.93 H new ATOM 0 HB2 PHE A 20 35.320 31.499 8.610 1.00 34.20 H new ATOM 0 HB3 PHE A 20 34.036 32.325 7.749 1.00 34.20 H new ATOM 0 HD1 PHE A 20 36.128 29.276 7.854 1.00 32.30 H new ATOM 0 HD2 PHE A 20 32.852 31.251 5.906 1.00 34.75 H new ATOM 0 HE1 PHE A 20 35.504 27.148 6.749 1.00 34.86 H new ATOM 0 HE2 PHE A 20 32.234 29.127 4.789 1.00 35.66 H new ATOM 0 HZ PHE A 20 33.560 27.073 5.213 1.00 35.69 H new ATOM 323 N ARG A 21 37.290 34.225 7.658 1.00 34.35 N ATOM 324 CA ARG A 21 37.532 35.614 8.143 1.00 34.08 C ATOM 325 C ARG A 21 36.525 35.982 9.237 1.00 33.06 C ATOM 326 O ARG A 21 36.080 37.110 9.319 1.00 31.60 O ATOM 327 CB ARG A 21 37.391 36.600 6.974 1.00 37.64 C ATOM 328 CG ARG A 21 38.578 36.452 6.000 1.00 41.19 C ATOM 329 CD ARG A 21 39.760 37.322 6.459 1.00 45.12 C ATOM 330 NE ARG A 21 39.555 38.744 6.017 1.00 48.87 N ATOM 331 CZ ARG A 21 39.443 39.067 4.755 1.00 50.17 C ATOM 332 NH1 ARG A 21 39.649 38.179 3.821 1.00 52.38 N ATOM 333 NH2 ARG A 21 39.167 40.300 4.425 1.00 50.69 N ATOM 0 H ARG A 21 38.108 33.615 7.677 1.00 34.35 H new ATOM 0 HA ARG A 21 38.540 35.669 8.555 1.00 34.08 H new ATOM 0 HB2 ARG A 21 36.455 36.417 6.447 1.00 37.64 H new ATOM 0 HB3 ARG A 21 37.349 37.621 7.354 1.00 37.64 H new ATOM 0 HG2 ARG A 21 38.886 35.408 5.948 1.00 41.19 H new ATOM 0 HG3 ARG A 21 38.271 36.745 4.996 1.00 41.19 H new ATOM 0 HD2 ARG A 21 39.853 37.280 7.544 1.00 45.12 H new ATOM 0 HD3 ARG A 21 40.690 36.934 6.044 1.00 45.12 H new ATOM 0 HE ARG A 21 39.502 39.479 6.722 1.00 48.87 H new ATOM 0 HH11 ARG A 21 39.900 37.223 4.073 1.00 52.38 H new ATOM 0 HH12 ARG A 21 39.559 38.441 2.839 1.00 52.38 H new ATOM 0 HH21 ARG A 21 39.040 41.006 5.150 1.00 50.69 H new ATOM 0 HH22 ARG A 21 39.079 40.557 3.442 1.00 50.69 H new ATOM 347 N TYR A 22 36.159 35.055 10.083 1.00 30.22 N ATOM 348 CA TYR A 22 35.186 35.392 11.157 1.00 29.11 C ATOM 349 C TYR A 22 35.886 36.293 12.208 1.00 27.15 C ATOM 350 O TYR A 22 37.074 36.155 12.419 1.00 25.96 O ATOM 351 CB TYR A 22 34.730 34.096 11.845 1.00 27.09 C ATOM 352 CG TYR A 22 33.647 33.390 11.039 1.00 27.40 C ATOM 353 CD1 TYR A 22 32.436 34.037 10.729 1.00 26.95 C ATOM 354 CD2 TYR A 22 33.855 32.072 10.605 1.00 25.13 C ATOM 355 CE1 TYR A 22 31.452 33.369 9.990 1.00 26.07 C ATOM 356 CE2 TYR A 22 32.868 31.408 9.868 1.00 24.89 C ATOM 357 CZ TYR A 22 31.668 32.056 9.560 1.00 24.53 C ATOM 358 OH TYR A 22 30.697 31.400 8.832 1.00 21.93 O ATOM 0 H TYR A 22 36.489 34.090 10.076 1.00 30.22 H new ATOM 0 HA TYR A 22 34.328 35.911 10.729 1.00 29.11 H new ATOM 0 HB2 TYR A 22 35.583 33.430 11.972 1.00 27.09 H new ATOM 0 HB3 TYR A 22 34.353 34.325 12.842 1.00 27.09 H new ATOM 0 HD1 TYR A 22 32.266 35.050 11.062 1.00 26.95 H new ATOM 0 HD2 TYR A 22 34.781 31.568 10.841 1.00 25.13 H new ATOM 0 HE1 TYR A 22 30.525 33.869 9.752 1.00 26.07 H new ATOM 0 HE2 TYR A 22 33.033 30.393 9.537 1.00 24.89 H new ATOM 0 HH TYR A 22 31.121 30.756 8.227 1.00 21.93 H new ATOM 368 N PRO A 23 35.139 37.168 12.866 1.00 25.95 N ATOM 369 CA PRO A 23 35.710 38.042 13.915 1.00 26.49 C ATOM 370 C PRO A 23 36.414 37.190 14.988 1.00 26.35 C ATOM 371 O PRO A 23 36.395 35.980 14.940 1.00 24.48 O ATOM 372 CB PRO A 23 34.499 38.801 14.507 1.00 27.06 C ATOM 373 CG PRO A 23 33.234 38.348 13.723 1.00 29.61 C ATOM 374 CD PRO A 23 33.696 37.366 12.625 1.00 27.83 C ATOM 0 HA PRO A 23 36.460 38.730 13.525 1.00 26.49 H new ATOM 0 HB2 PRO A 23 34.391 38.581 15.569 1.00 27.06 H new ATOM 0 HB3 PRO A 23 34.640 39.878 14.417 1.00 27.06 H new ATOM 0 HG2 PRO A 23 32.520 37.867 14.392 1.00 29.61 H new ATOM 0 HG3 PRO A 23 32.729 39.207 13.281 1.00 29.61 H new ATOM 0 HD2 PRO A 23 33.153 36.423 12.686 1.00 27.83 H new ATOM 0 HD3 PRO A 23 33.515 37.774 11.630 1.00 27.83 H new ATOM 382 N TRP A 24 37.039 37.822 15.947 1.00 23.75 N ATOM 383 CA TRP A 24 37.753 37.056 17.019 1.00 24.21 C ATOM 384 C TRP A 24 36.770 36.544 18.077 1.00 24.68 C ATOM 385 O TRP A 24 37.110 35.703 18.886 1.00 22.18 O ATOM 386 CB TRP A 24 38.790 37.962 17.690 1.00 24.39 C ATOM 387 CG TRP A 24 39.460 37.216 18.803 1.00 26.00 C ATOM 388 CD1 TRP A 24 39.380 37.543 20.113 1.00 27.56 C ATOM 389 CD2 TRP A 24 40.305 36.028 18.729 1.00 24.99 C ATOM 390 NE1 TRP A 24 40.120 36.635 20.848 1.00 24.44 N ATOM 391 CE2 TRP A 24 40.709 35.682 20.040 1.00 27.17 C ATOM 392 CE3 TRP A 24 40.755 35.226 17.664 1.00 27.07 C ATOM 393 CZ2 TRP A 24 41.530 34.579 20.285 1.00 26.88 C ATOM 394 CZ3 TRP A 24 41.581 34.117 17.908 1.00 28.86 C ATOM 395 CH2 TRP A 24 41.967 33.794 19.216 1.00 27.85 C ATOM 0 H TRP A 24 37.087 38.837 16.037 1.00 23.75 H new ATOM 0 HA TRP A 24 38.245 36.199 16.558 1.00 24.21 H new ATOM 0 HB2 TRP A 24 39.530 38.288 16.960 1.00 24.39 H new ATOM 0 HB3 TRP A 24 38.308 38.859 18.078 1.00 24.39 H new ATOM 0 HD1 TRP A 24 38.828 38.378 20.519 1.00 27.56 H new ATOM 0 HE1 TRP A 24 40.219 36.665 21.863 1.00 24.44 H new ATOM 0 HE3 TRP A 24 40.463 35.465 16.652 1.00 27.07 H new ATOM 0 HZ2 TRP A 24 41.825 34.335 21.295 1.00 26.88 H new ATOM 0 HZ3 TRP A 24 41.921 33.509 17.083 1.00 28.86 H new ATOM 0 HH2 TRP A 24 42.602 32.939 19.397 1.00 27.85 H new ATOM 406 N GLU A 25 35.568 37.046 18.101 1.00 21.18 N ATOM 407 CA GLU A 25 34.594 36.584 19.135 1.00 25.10 C ATOM 408 C GLU A 25 33.944 35.254 18.722 1.00 23.53 C ATOM 409 O GLU A 25 33.272 34.631 19.517 1.00 22.15 O ATOM 410 CB GLU A 25 33.507 37.652 19.344 1.00 30.80 C ATOM 411 CG GLU A 25 33.146 38.298 18.002 1.00 38.77 C ATOM 412 CD GLU A 25 31.772 38.968 18.101 1.00 43.31 C ATOM 413 OE1 GLU A 25 31.228 39.001 19.193 1.00 45.94 O ATOM 414 OE2 GLU A 25 31.288 39.435 17.084 1.00 46.36 O ATOM 0 H GLU A 25 35.216 37.752 17.455 1.00 21.18 H new ATOM 0 HA GLU A 25 35.134 36.428 20.069 1.00 25.10 H new ATOM 0 HB2 GLU A 25 32.621 37.199 19.790 1.00 30.80 H new ATOM 0 HB3 GLU A 25 33.861 38.412 20.040 1.00 30.80 H new ATOM 0 HG2 GLU A 25 33.901 39.035 17.728 1.00 38.77 H new ATOM 0 HG3 GLU A 25 33.137 37.543 17.216 1.00 38.77 H new ATOM 421 N LEU A 26 34.103 34.820 17.490 1.00 21.26 N ATOM 422 CA LEU A 26 33.455 33.533 17.060 1.00 20.65 C ATOM 423 C LEU A 26 34.409 32.353 17.212 1.00 20.00 C ATOM 424 O LEU A 26 34.211 31.312 16.619 1.00 16.59 O ATOM 425 CB LEU A 26 33.016 33.631 15.603 1.00 23.25 C ATOM 426 CG LEU A 26 32.257 34.942 15.361 1.00 26.24 C ATOM 427 CD1 LEU A 26 31.508 34.848 14.033 1.00 29.07 C ATOM 428 CD2 LEU A 26 31.243 35.196 16.487 1.00 26.56 C ATOM 0 H LEU A 26 34.647 35.295 16.770 1.00 21.26 H new ATOM 0 HA LEU A 26 32.589 33.368 17.702 1.00 20.65 H new ATOM 0 HB2 LEU A 26 33.887 33.582 14.950 1.00 23.25 H new ATOM 0 HB3 LEU A 26 32.380 32.783 15.350 1.00 23.25 H new ATOM 0 HG LEU A 26 32.974 35.763 15.338 1.00 26.24 H new ATOM 0 HD11 LEU A 26 30.966 35.777 13.854 1.00 29.07 H new ATOM 0 HD12 LEU A 26 32.220 34.682 13.225 1.00 29.07 H new ATOM 0 HD13 LEU A 26 30.803 34.018 14.071 1.00 29.07 H new ATOM 0 HD21 LEU A 26 30.715 36.130 16.297 1.00 26.56 H new ATOM 0 HD22 LEU A 26 30.527 34.375 16.523 1.00 26.56 H new ATOM 0 HD23 LEU A 26 31.767 35.263 17.440 1.00 26.56 H new ATOM 440 N MET A 27 35.415 32.474 18.029 1.00 18.56 N ATOM 441 CA MET A 27 36.317 31.315 18.221 1.00 17.95 C ATOM 442 C MET A 27 35.552 30.185 18.945 1.00 17.26 C ATOM 443 O MET A 27 35.747 29.033 18.611 1.00 15.06 O ATOM 444 CB MET A 27 37.571 31.719 19.015 1.00 20.02 C ATOM 445 CG MET A 27 38.541 32.464 18.099 1.00 18.07 C ATOM 446 SD MET A 27 39.426 31.283 17.046 1.00 11.26 S ATOM 447 CE MET A 27 40.376 30.453 18.345 1.00 20.89 C ATOM 0 H MET A 27 35.647 33.312 18.563 1.00 18.56 H new ATOM 0 HA MET A 27 36.647 30.957 17.246 1.00 17.95 H new ATOM 0 HB2 MET A 27 37.292 32.352 19.857 1.00 20.02 H new ATOM 0 HB3 MET A 27 38.053 30.833 19.428 1.00 20.02 H new ATOM 0 HG2 MET A 27 37.996 33.178 17.481 1.00 18.07 H new ATOM 0 HG3 MET A 27 39.252 33.036 18.696 1.00 18.07 H new ATOM 0 HE1 MET A 27 41.270 30.005 17.912 1.00 20.89 H new ATOM 0 HE2 MET A 27 40.665 31.179 19.105 1.00 20.89 H new ATOM 0 HE3 MET A 27 39.765 29.674 18.801 1.00 20.89 H new ATOM 457 N PRO A 28 34.679 30.512 19.900 1.00 16.29 N ATOM 458 CA PRO A 28 33.903 29.472 20.599 1.00 17.09 C ATOM 459 C PRO A 28 33.061 28.708 19.572 1.00 15.81 C ATOM 460 O PRO A 28 32.704 27.575 19.775 1.00 16.73 O ATOM 461 CB PRO A 28 33.022 30.248 21.609 1.00 16.95 C ATOM 462 CG PRO A 28 33.588 31.685 21.668 1.00 18.75 C ATOM 463 CD PRO A 28 34.388 31.888 20.371 1.00 16.75 C ATOM 0 HA PRO A 28 34.520 28.734 21.112 1.00 17.09 H new ATOM 0 HB2 PRO A 28 31.980 30.254 21.291 1.00 16.95 H new ATOM 0 HB3 PRO A 28 33.052 29.778 22.592 1.00 16.95 H new ATOM 0 HG2 PRO A 28 32.784 32.417 21.747 1.00 18.75 H new ATOM 0 HG3 PRO A 28 34.225 31.816 22.542 1.00 18.75 H new ATOM 0 HD2 PRO A 28 33.814 32.448 19.633 1.00 16.75 H new ATOM 0 HD3 PRO A 28 35.305 32.448 20.553 1.00 16.75 H new ATOM 471 N LEU A 29 32.759 29.323 18.459 1.00 15.35 N ATOM 472 CA LEU A 29 31.961 28.624 17.411 1.00 15.54 C ATOM 473 C LEU A 29 32.920 27.831 16.525 1.00 15.13 C ATOM 474 O LEU A 29 32.770 26.637 16.353 1.00 14.57 O ATOM 475 CB LEU A 29 31.192 29.651 16.577 1.00 15.26 C ATOM 476 CG LEU A 29 30.405 30.581 17.506 1.00 13.96 C ATOM 477 CD1 LEU A 29 29.560 31.529 16.654 1.00 15.02 C ATOM 478 CD2 LEU A 29 29.487 29.750 18.423 1.00 15.96 C ATOM 0 H LEU A 29 33.031 30.279 18.231 1.00 15.35 H new ATOM 0 HA LEU A 29 31.241 27.947 17.871 1.00 15.54 H new ATOM 0 HB2 LEU A 29 31.884 30.231 15.967 1.00 15.26 H new ATOM 0 HB3 LEU A 29 30.512 29.143 15.893 1.00 15.26 H new ATOM 0 HG LEU A 29 31.096 31.154 18.125 1.00 13.96 H new ATOM 0 HD11 LEU A 29 28.995 32.197 17.304 1.00 15.02 H new ATOM 0 HD12 LEU A 29 30.212 32.117 16.009 1.00 15.02 H new ATOM 0 HD13 LEU A 29 28.870 30.950 16.041 1.00 15.02 H new ATOM 0 HD21 LEU A 29 28.930 30.417 19.081 1.00 15.96 H new ATOM 0 HD22 LEU A 29 28.789 29.175 17.815 1.00 15.96 H new ATOM 0 HD23 LEU A 29 30.091 29.070 19.023 1.00 15.96 H new ATOM 490 N MET A 30 33.927 28.468 15.987 1.00 15.06 N ATOM 491 CA MET A 30 34.905 27.720 15.150 1.00 12.45 C ATOM 492 C MET A 30 35.415 26.545 15.987 1.00 12.90 C ATOM 493 O MET A 30 35.640 25.457 15.495 1.00 14.81 O ATOM 494 CB MET A 30 36.084 28.638 14.791 1.00 15.01 C ATOM 495 CG MET A 30 35.764 29.459 13.548 1.00 12.65 C ATOM 496 SD MET A 30 34.305 30.491 13.854 1.00 8.44 S ATOM 497 CE MET A 30 33.203 29.764 12.612 1.00 27.75 C ATOM 0 H MET A 30 34.112 29.466 16.091 1.00 15.06 H new ATOM 0 HA MET A 30 34.438 27.371 14.229 1.00 12.45 H new ATOM 0 HB2 MET A 30 36.302 29.303 15.627 1.00 15.01 H new ATOM 0 HB3 MET A 30 36.979 28.040 14.618 1.00 15.01 H new ATOM 0 HG2 MET A 30 36.616 30.086 13.286 1.00 12.65 H new ATOM 0 HG3 MET A 30 35.582 28.798 12.701 1.00 12.65 H new ATOM 0 HE1 MET A 30 32.428 30.483 12.348 1.00 27.75 H new ATOM 0 HE2 MET A 30 33.777 29.506 11.722 1.00 27.75 H new ATOM 0 HE3 MET A 30 32.740 28.865 13.018 1.00 27.75 H new ATOM 507 N TYR A 31 35.594 26.778 17.258 1.00 13.07 N ATOM 508 CA TYR A 31 36.086 25.705 18.164 1.00 15.35 C ATOM 509 C TYR A 31 35.123 24.513 18.125 1.00 16.32 C ATOM 510 O TYR A 31 35.521 23.388 17.899 1.00 15.86 O ATOM 511 CB TYR A 31 36.170 26.251 19.595 1.00 14.82 C ATOM 512 CG TYR A 31 36.488 25.124 20.551 1.00 17.46 C ATOM 513 CD1 TYR A 31 35.453 24.315 21.038 1.00 20.04 C ATOM 514 CD2 TYR A 31 37.811 24.887 20.952 1.00 19.91 C ATOM 515 CE1 TYR A 31 35.735 23.270 21.921 1.00 21.64 C ATOM 516 CE2 TYR A 31 38.092 23.839 21.834 1.00 22.38 C ATOM 517 CZ TYR A 31 37.055 23.030 22.319 1.00 23.93 C ATOM 518 OH TYR A 31 37.336 21.999 23.192 1.00 30.09 O ATOM 0 H TYR A 31 35.418 27.675 17.711 1.00 13.07 H new ATOM 0 HA TYR A 31 37.073 25.378 17.838 1.00 15.35 H new ATOM 0 HB2 TYR A 31 36.939 27.021 19.656 1.00 14.82 H new ATOM 0 HB3 TYR A 31 35.226 26.720 19.872 1.00 14.82 H new ATOM 0 HD1 TYR A 31 34.435 24.500 20.730 1.00 20.04 H new ATOM 0 HD2 TYR A 31 38.610 25.512 20.581 1.00 19.91 H new ATOM 0 HE1 TYR A 31 34.936 22.648 22.296 1.00 21.64 H new ATOM 0 HE2 TYR A 31 39.110 23.652 22.142 1.00 22.38 H new ATOM 0 HH TYR A 31 38.300 21.970 23.364 1.00 30.09 H new ATOM 528 N VAL A 32 33.860 24.751 18.358 1.00 16.31 N ATOM 529 CA VAL A 32 32.872 23.633 18.351 1.00 13.79 C ATOM 530 C VAL A 32 32.840 22.964 16.978 1.00 15.33 C ATOM 531 O VAL A 32 32.968 21.761 16.864 1.00 15.78 O ATOM 532 CB VAL A 32 31.479 24.178 18.677 1.00 15.68 C ATOM 533 CG1 VAL A 32 30.478 23.021 18.692 1.00 14.40 C ATOM 534 CG2 VAL A 32 31.495 24.867 20.050 1.00 13.96 C ATOM 0 H VAL A 32 33.469 25.673 18.553 1.00 16.31 H new ATOM 0 HA VAL A 32 33.168 22.899 19.100 1.00 13.79 H new ATOM 0 HB VAL A 32 31.187 24.906 17.920 1.00 15.68 H new ATOM 0 HG11 VAL A 32 29.484 23.403 18.924 1.00 14.40 H new ATOM 0 HG12 VAL A 32 30.463 22.540 17.714 1.00 14.40 H new ATOM 0 HG13 VAL A 32 30.773 22.294 19.449 1.00 14.40 H new ATOM 0 HG21 VAL A 32 30.501 25.252 20.275 1.00 13.96 H new ATOM 0 HG22 VAL A 32 31.787 24.147 20.815 1.00 13.96 H new ATOM 0 HG23 VAL A 32 32.209 25.691 20.035 1.00 13.96 H new ATOM 544 N ILE A 33 32.660 23.729 15.934 1.00 13.65 N ATOM 545 CA ILE A 33 32.610 23.137 14.569 1.00 13.17 C ATOM 546 C ILE A 33 33.747 22.112 14.406 1.00 15.24 C ATOM 547 O ILE A 33 33.521 20.964 14.078 1.00 15.62 O ATOM 548 CB ILE A 33 32.728 24.286 13.554 1.00 15.80 C ATOM 549 CG1 ILE A 33 31.372 25.024 13.496 1.00 14.63 C ATOM 550 CG2 ILE A 33 33.080 23.738 12.169 1.00 15.09 C ATOM 551 CD1 ILE A 33 31.504 26.393 12.808 1.00 15.66 C ATOM 0 H ILE A 33 32.545 24.742 15.970 1.00 13.65 H new ATOM 0 HA ILE A 33 31.672 22.608 14.402 1.00 13.17 H new ATOM 0 HB ILE A 33 33.518 24.971 13.862 1.00 15.80 H new ATOM 0 HG12 ILE A 33 30.647 24.413 12.958 1.00 14.63 H new ATOM 0 HG13 ILE A 33 30.987 25.159 14.507 1.00 14.63 H new ATOM 0 HG21 ILE A 33 33.160 24.563 11.461 1.00 15.09 H new ATOM 0 HG22 ILE A 33 34.031 23.208 12.218 1.00 15.09 H new ATOM 0 HG23 ILE A 33 32.299 23.052 11.840 1.00 15.09 H new ATOM 0 HD11 ILE A 33 30.531 26.884 12.785 1.00 15.66 H new ATOM 0 HD12 ILE A 33 32.210 27.012 13.362 1.00 15.66 H new ATOM 0 HD13 ILE A 33 31.865 26.255 11.789 1.00 15.66 H new ATOM 563 N LEU A 34 34.954 22.516 14.662 1.00 16.71 N ATOM 564 CA LEU A 34 36.121 21.583 14.564 1.00 19.71 C ATOM 565 C LEU A 34 35.871 20.370 15.487 1.00 20.61 C ATOM 566 O LEU A 34 36.004 19.233 15.079 1.00 22.08 O ATOM 567 CB LEU A 34 37.377 22.378 15.034 1.00 19.59 C ATOM 568 CG LEU A 34 38.399 22.820 13.900 1.00 26.84 C ATOM 569 CD1 LEU A 34 37.982 22.480 12.461 1.00 24.93 C ATOM 570 CD2 LEU A 34 38.622 24.342 13.977 1.00 27.25 C ATOM 0 H LEU A 34 35.193 23.468 14.940 1.00 16.71 H new ATOM 0 HA LEU A 34 36.264 21.216 13.547 1.00 19.71 H new ATOM 0 HB2 LEU A 34 37.039 23.273 15.557 1.00 19.59 H new ATOM 0 HB3 LEU A 34 37.915 21.769 15.760 1.00 19.59 H new ATOM 0 HG LEU A 34 39.303 22.246 14.103 1.00 26.84 H new ATOM 0 HD11 LEU A 34 38.750 22.825 11.769 1.00 24.93 H new ATOM 0 HD12 LEU A 34 37.863 21.401 12.362 1.00 24.93 H new ATOM 0 HD13 LEU A 34 37.037 22.972 12.230 1.00 24.93 H new ATOM 0 HD21 LEU A 34 39.323 24.647 13.200 1.00 27.25 H new ATOM 0 HD22 LEU A 34 37.672 24.857 13.831 1.00 27.25 H new ATOM 0 HD23 LEU A 34 39.029 24.601 14.954 1.00 27.25 H new ATOM 582 N LYS A 35 35.520 20.607 16.722 1.00 19.14 N ATOM 583 CA LYS A 35 35.270 19.476 17.676 1.00 20.97 C ATOM 584 C LYS A 35 34.433 18.396 17.002 1.00 22.25 C ATOM 585 O LYS A 35 34.552 17.224 17.299 1.00 22.80 O ATOM 586 CB LYS A 35 34.508 20.004 18.898 1.00 22.98 C ATOM 587 CG LYS A 35 34.522 18.951 20.009 1.00 26.83 C ATOM 588 CD LYS A 35 33.846 19.521 21.259 1.00 29.91 C ATOM 589 CE LYS A 35 33.849 18.469 22.368 1.00 33.36 C ATOM 590 NZ LYS A 35 35.243 18.256 22.846 1.00 35.88 N ATOM 0 H LYS A 35 35.394 21.539 17.118 1.00 19.14 H new ATOM 0 HA LYS A 35 36.227 19.053 17.982 1.00 20.97 H new ATOM 0 HB2 LYS A 35 34.966 20.927 19.253 1.00 22.98 H new ATOM 0 HB3 LYS A 35 33.481 20.243 18.623 1.00 22.98 H new ATOM 0 HG2 LYS A 35 34.002 18.052 19.679 1.00 26.83 H new ATOM 0 HG3 LYS A 35 35.548 18.661 20.237 1.00 26.83 H new ATOM 0 HD2 LYS A 35 34.370 20.417 21.592 1.00 29.91 H new ATOM 0 HD3 LYS A 35 32.823 19.818 21.028 1.00 29.91 H new ATOM 0 HE2 LYS A 35 33.216 18.794 23.194 1.00 33.36 H new ATOM 0 HE3 LYS A 35 33.433 17.532 21.997 1.00 33.36 H new ATOM 0 HZ1 LYS A 35 35.225 17.761 23.760 1.00 35.88 H new ATOM 0 HZ2 LYS A 35 35.764 17.683 22.152 1.00 35.88 H new ATOM 0 HZ3 LYS A 35 35.715 19.176 22.960 1.00 35.88 H new ATOM 604 N ASP A 36 33.574 18.785 16.115 1.00 20.87 N ATOM 605 CA ASP A 36 32.702 17.800 15.428 1.00 18.89 C ATOM 606 C ASP A 36 33.402 17.239 14.190 1.00 17.97 C ATOM 607 O ASP A 36 33.322 16.063 13.895 1.00 19.23 O ATOM 608 CB ASP A 36 31.424 18.520 15.020 1.00 16.73 C ATOM 609 CG ASP A 36 30.975 19.411 16.181 1.00 19.06 C ATOM 610 OD1 ASP A 36 30.779 18.884 17.264 1.00 17.75 O ATOM 611 OD2 ASP A 36 30.833 20.603 15.967 1.00 14.84 O ATOM 0 H ASP A 36 33.435 19.755 15.831 1.00 20.87 H new ATOM 0 HA ASP A 36 32.479 16.966 16.094 1.00 18.89 H new ATOM 0 HB2 ASP A 36 31.596 19.120 14.127 1.00 16.73 H new ATOM 0 HB3 ASP A 36 30.645 17.798 14.773 1.00 16.73 H new ATOM 616 N ALA A 37 34.067 18.079 13.455 1.00 19.53 N ATOM 617 CA ALA A 37 34.755 17.620 12.218 1.00 20.29 C ATOM 618 C ALA A 37 36.122 17.030 12.549 1.00 23.93 C ATOM 619 O ALA A 37 37.071 17.200 11.810 1.00 23.82 O ATOM 620 CB ALA A 37 34.937 18.816 11.298 1.00 19.16 C ATOM 0 H ALA A 37 34.165 19.074 13.658 1.00 19.53 H new ATOM 0 HA ALA A 37 34.153 16.850 11.736 1.00 20.29 H new ATOM 0 HB1 ALA A 37 35.440 18.499 10.385 1.00 19.16 H new ATOM 0 HB2 ALA A 37 33.962 19.235 11.049 1.00 19.16 H new ATOM 0 HB3 ALA A 37 35.539 19.573 11.800 1.00 19.16 H new ATOM 626 N ASP A 38 36.244 16.349 13.646 1.00 25.04 N ATOM 627 CA ASP A 38 37.565 15.772 13.994 1.00 29.02 C ATOM 628 C ASP A 38 38.602 16.897 13.986 1.00 30.09 C ATOM 629 O ASP A 38 39.793 16.666 13.943 1.00 29.56 O ATOM 630 CB ASP A 38 37.939 14.703 12.958 1.00 31.78 C ATOM 631 CG ASP A 38 38.963 13.733 13.555 1.00 34.21 C ATOM 632 OD1 ASP A 38 39.894 14.202 14.190 1.00 37.98 O ATOM 633 OD2 ASP A 38 38.799 12.539 13.367 1.00 39.08 O ATOM 0 H ASP A 38 35.494 16.167 14.313 1.00 25.04 H new ATOM 0 HA ASP A 38 37.532 15.310 14.981 1.00 29.02 H new ATOM 0 HB2 ASP A 38 37.048 14.158 12.647 1.00 31.78 H new ATOM 0 HB3 ASP A 38 38.350 15.176 12.067 1.00 31.78 H new ATOM 638 N ALA A 39 38.137 18.116 14.025 1.00 30.33 N ATOM 639 CA ALA A 39 39.053 19.285 14.022 1.00 32.12 C ATOM 640 C ALA A 39 39.727 19.430 12.652 1.00 33.86 C ATOM 641 O ALA A 39 40.687 20.158 12.499 1.00 34.96 O ATOM 642 CB ALA A 39 40.104 19.117 15.119 1.00 32.67 C ATOM 0 H ALA A 39 37.145 18.352 14.059 1.00 30.33 H new ATOM 0 HA ALA A 39 38.478 20.190 14.218 1.00 32.12 H new ATOM 0 HB1 ALA A 39 40.775 19.976 15.115 1.00 32.67 H new ATOM 0 HB2 ALA A 39 39.610 19.047 16.088 1.00 32.67 H new ATOM 0 HB3 ALA A 39 40.677 18.208 14.937 1.00 32.67 H new ATOM 648 N ASN A 40 39.226 18.754 11.651 1.00 33.92 N ATOM 649 CA ASN A 40 39.833 18.869 10.289 1.00 34.20 C ATOM 650 C ASN A 40 39.140 20.006 9.532 1.00 34.98 C ATOM 651 O ASN A 40 38.011 19.881 9.100 1.00 32.10 O ATOM 652 CB ASN A 40 39.643 17.554 9.529 1.00 33.87 C ATOM 653 CG ASN A 40 40.617 16.505 10.069 1.00 32.69 C ATOM 654 OD1 ASN A 40 40.847 16.429 11.260 1.00 34.27 O ATOM 655 ND2 ASN A 40 41.204 15.687 9.238 1.00 33.64 N ATOM 0 H ASN A 40 38.424 18.128 11.716 1.00 33.92 H new ATOM 0 HA ASN A 40 40.899 19.079 10.376 1.00 34.20 H new ATOM 0 HB2 ASN A 40 38.617 17.203 9.639 1.00 33.87 H new ATOM 0 HB3 ASN A 40 39.814 17.710 8.464 1.00 33.87 H new ATOM 0 HD21 ASN A 40 41.855 14.985 9.588 1.00 33.64 H new ATOM 0 HD22 ASN A 40 41.011 15.750 8.238 1.00 33.64 H new ATOM 662 N ILE A 41 39.806 21.118 9.379 1.00 35.49 N ATOM 663 CA ILE A 41 39.188 22.273 8.664 1.00 37.55 C ATOM 664 C ILE A 41 38.540 21.800 7.362 1.00 36.60 C ATOM 665 O ILE A 41 37.354 21.966 7.159 1.00 34.64 O ATOM 666 CB ILE A 41 40.273 23.319 8.360 1.00 39.67 C ATOM 667 CG1 ILE A 41 40.717 23.939 9.706 1.00 42.22 C ATOM 668 CG2 ILE A 41 39.735 24.404 7.372 1.00 40.78 C ATOM 669 CD1 ILE A 41 41.706 25.101 9.503 1.00 44.19 C ATOM 0 H ILE A 41 40.754 21.278 9.719 1.00 35.49 H new ATOM 0 HA ILE A 41 38.418 22.718 9.294 1.00 37.55 H new ATOM 0 HB ILE A 41 41.129 22.854 7.871 1.00 39.67 H new ATOM 0 HG12 ILE A 41 39.841 24.298 10.247 1.00 42.22 H new ATOM 0 HG13 ILE A 41 41.181 23.171 10.324 1.00 42.22 H new ATOM 0 HG21 ILE A 41 40.519 25.134 7.171 1.00 40.78 H new ATOM 0 HG22 ILE A 41 39.434 23.929 6.439 1.00 40.78 H new ATOM 0 HG23 ILE A 41 38.876 24.907 7.817 1.00 40.78 H new ATOM 0 HD11 ILE A 41 41.993 25.508 10.473 1.00 44.19 H new ATOM 0 HD12 ILE A 41 42.594 24.737 8.985 1.00 44.19 H new ATOM 0 HD13 ILE A 41 41.233 25.882 8.907 1.00 44.19 H new ATOM 681 N GLU A 42 39.305 21.231 6.471 1.00 37.01 N ATOM 682 CA GLU A 42 38.727 20.768 5.176 1.00 36.07 C ATOM 683 C GLU A 42 37.409 20.032 5.426 1.00 33.02 C ATOM 684 O GLU A 42 36.468 20.149 4.667 1.00 31.66 O ATOM 685 CB GLU A 42 39.715 19.826 4.484 1.00 40.46 C ATOM 686 CG GLU A 42 41.007 20.583 4.168 1.00 45.44 C ATOM 687 CD GLU A 42 41.933 19.689 3.340 1.00 49.08 C ATOM 688 OE1 GLU A 42 41.985 18.503 3.621 1.00 51.71 O ATOM 689 OE2 GLU A 42 42.573 20.206 2.440 1.00 50.84 O ATOM 0 H GLU A 42 40.305 21.066 6.583 1.00 37.01 H new ATOM 0 HA GLU A 42 38.538 21.632 4.539 1.00 36.07 H new ATOM 0 HB2 GLU A 42 39.929 18.972 5.126 1.00 40.46 H new ATOM 0 HB3 GLU A 42 39.277 19.433 3.566 1.00 40.46 H new ATOM 0 HG2 GLU A 42 40.780 21.497 3.619 1.00 45.44 H new ATOM 0 HG3 GLU A 42 41.502 20.880 5.092 1.00 45.44 H new ATOM 696 N GLU A 43 37.331 19.281 6.489 1.00 29.75 N ATOM 697 CA GLU A 43 36.069 18.548 6.793 1.00 27.99 C ATOM 698 C GLU A 43 35.129 19.475 7.567 1.00 25.26 C ATOM 699 O GLU A 43 33.923 19.372 7.470 1.00 22.77 O ATOM 700 CB GLU A 43 36.384 17.310 7.640 1.00 30.94 C ATOM 701 CG GLU A 43 35.200 16.341 7.594 1.00 33.24 C ATOM 702 CD GLU A 43 35.120 15.696 6.209 1.00 37.98 C ATOM 703 OE1 GLU A 43 36.070 15.840 5.456 1.00 43.17 O ATOM 704 OE2 GLU A 43 34.112 15.071 5.924 1.00 38.40 O ATOM 0 H GLU A 43 38.086 19.143 7.161 1.00 29.75 H new ATOM 0 HA GLU A 43 35.593 18.233 5.864 1.00 27.99 H new ATOM 0 HB2 GLU A 43 37.283 16.820 7.266 1.00 30.94 H new ATOM 0 HB3 GLU A 43 36.587 17.604 8.670 1.00 30.94 H new ATOM 0 HG2 GLU A 43 35.316 15.573 8.358 1.00 33.24 H new ATOM 0 HG3 GLU A 43 34.274 16.872 7.813 1.00 33.24 H new ATOM 711 N ALA A 44 35.674 20.383 8.335 1.00 22.98 N ATOM 712 CA ALA A 44 34.809 21.316 9.112 1.00 23.88 C ATOM 713 C ALA A 44 34.295 22.417 8.178 1.00 22.87 C ATOM 714 O ALA A 44 33.167 22.856 8.282 1.00 22.85 O ATOM 715 CB ALA A 44 35.618 21.914 10.285 1.00 22.28 C ATOM 0 H ALA A 44 36.678 20.517 8.457 1.00 22.98 H new ATOM 0 HA ALA A 44 33.954 20.782 9.526 1.00 23.88 H new ATOM 0 HB1 ALA A 44 34.985 22.596 10.853 1.00 22.28 H new ATOM 0 HB2 ALA A 44 35.962 21.111 10.937 1.00 22.28 H new ATOM 0 HB3 ALA A 44 36.478 22.458 9.894 1.00 22.28 H new ATOM 721 N SER A 45 35.110 22.857 7.263 1.00 25.55 N ATOM 722 CA SER A 45 34.668 23.919 6.320 1.00 26.34 C ATOM 723 C SER A 45 33.496 23.398 5.487 1.00 26.21 C ATOM 724 O SER A 45 32.493 24.063 5.321 1.00 23.95 O ATOM 725 CB SER A 45 35.830 24.285 5.396 1.00 29.82 C ATOM 726 OG SER A 45 35.876 23.367 4.311 1.00 33.07 O ATOM 0 H SER A 45 36.065 22.526 7.127 1.00 25.55 H new ATOM 0 HA SER A 45 34.353 24.801 6.877 1.00 26.34 H new ATOM 0 HB2 SER A 45 35.706 25.301 5.022 1.00 29.82 H new ATOM 0 HB3 SER A 45 36.770 24.261 5.948 1.00 29.82 H new ATOM 0 HG SER A 45 36.619 23.600 3.716 1.00 33.07 H new ATOM 732 N ARG A 46 33.617 22.207 4.964 1.00 26.25 N ATOM 733 CA ARG A 46 32.516 21.628 4.142 1.00 26.19 C ATOM 734 C ARG A 46 31.176 21.843 4.851 1.00 24.78 C ATOM 735 O ARG A 46 30.154 22.043 4.225 1.00 20.51 O ATOM 736 CB ARG A 46 32.764 20.123 3.960 1.00 30.93 C ATOM 737 CG ARG A 46 33.920 19.879 2.947 1.00 37.66 C ATOM 738 CD ARG A 46 33.378 19.249 1.656 1.00 43.41 C ATOM 739 NE ARG A 46 33.017 17.826 1.914 1.00 47.39 N ATOM 740 CZ ARG A 46 32.266 17.178 1.066 1.00 49.82 C ATOM 741 NH1 ARG A 46 31.825 17.775 -0.007 1.00 51.10 N ATOM 742 NH2 ARG A 46 31.955 15.931 1.294 1.00 51.02 N ATOM 0 H ARG A 46 34.435 21.608 5.072 1.00 26.25 H new ATOM 0 HA ARG A 46 32.489 22.118 3.169 1.00 26.19 H new ATOM 0 HB2 ARG A 46 33.013 19.671 4.920 1.00 30.93 H new ATOM 0 HB3 ARG A 46 31.854 19.639 3.606 1.00 30.93 H new ATOM 0 HG2 ARG A 46 34.416 20.822 2.718 1.00 37.66 H new ATOM 0 HG3 ARG A 46 34.669 19.224 3.392 1.00 37.66 H new ATOM 0 HD2 ARG A 46 32.504 19.800 1.308 1.00 43.41 H new ATOM 0 HD3 ARG A 46 34.127 19.308 0.867 1.00 43.41 H new ATOM 0 HE ARG A 46 33.357 17.358 2.754 1.00 47.39 H new ATOM 0 HH11 ARG A 46 32.067 18.750 -0.184 1.00 51.10 H new ATOM 0 HH12 ARG A 46 31.238 17.267 -0.669 1.00 51.10 H new ATOM 0 HH21 ARG A 46 32.299 15.465 2.134 1.00 51.02 H new ATOM 0 HH22 ARG A 46 31.368 15.423 0.633 1.00 51.02 H new ATOM 756 N ARG A 47 31.176 21.805 6.154 1.00 20.40 N ATOM 757 CA ARG A 47 29.907 22.009 6.908 1.00 20.79 C ATOM 758 C ARG A 47 29.541 23.488 6.869 1.00 20.46 C ATOM 759 O ARG A 47 28.505 23.868 6.361 1.00 20.27 O ATOM 760 CB ARG A 47 30.099 21.554 8.358 1.00 18.12 C ATOM 761 CG ARG A 47 30.867 20.227 8.374 1.00 19.83 C ATOM 762 CD ARG A 47 31.007 19.706 9.812 1.00 24.63 C ATOM 763 NE ARG A 47 31.089 18.219 9.782 1.00 25.15 N ATOM 764 CZ ARG A 47 31.462 17.565 10.845 1.00 28.72 C ATOM 765 NH1 ARG A 47 31.726 18.212 11.945 1.00 25.84 N ATOM 766 NH2 ARG A 47 31.568 16.266 10.810 1.00 22.33 N ATOM 0 H ARG A 47 32.001 21.641 6.731 1.00 20.40 H new ATOM 0 HA ARG A 47 29.105 21.425 6.456 1.00 20.79 H new ATOM 0 HB2 ARG A 47 30.646 22.311 8.920 1.00 18.12 H new ATOM 0 HB3 ARG A 47 29.131 21.433 8.845 1.00 18.12 H new ATOM 0 HG2 ARG A 47 30.345 19.490 7.763 1.00 19.83 H new ATOM 0 HG3 ARG A 47 31.854 20.366 7.933 1.00 19.83 H new ATOM 0 HD2 ARG A 47 31.899 20.123 10.279 1.00 24.63 H new ATOM 0 HD3 ARG A 47 30.155 20.024 10.413 1.00 24.63 H new ATOM 0 HE ARG A 47 30.853 17.713 8.929 1.00 25.15 H new ATOM 0 HH11 ARG A 47 31.640 19.228 11.972 1.00 25.84 H new ATOM 0 HH12 ARG A 47 32.018 17.702 12.779 1.00 25.84 H new ATOM 0 HH21 ARG A 47 31.359 15.760 9.949 1.00 22.33 H new ATOM 0 HH22 ARG A 47 31.860 15.756 11.643 1.00 22.33 H new ATOM 780 N ILE A 48 30.398 24.328 7.379 1.00 19.14 N ATOM 781 CA ILE A 48 30.127 25.795 7.350 1.00 21.78 C ATOM 782 C ILE A 48 29.665 26.167 5.950 1.00 25.27 C ATOM 783 O ILE A 48 28.603 26.718 5.750 1.00 23.94 O ATOM 784 CB ILE A 48 31.418 26.536 7.679 1.00 20.97 C ATOM 785 CG1 ILE A 48 31.963 25.980 8.994 1.00 21.08 C ATOM 786 CG2 ILE A 48 31.128 28.033 7.812 1.00 21.08 C ATOM 787 CD1 ILE A 48 33.140 26.828 9.491 1.00 19.82 C ATOM 0 H ILE A 48 31.280 24.061 7.817 1.00 19.14 H new ATOM 0 HA ILE A 48 29.359 26.062 8.076 1.00 21.78 H new ATOM 0 HB ILE A 48 32.154 26.397 6.887 1.00 20.97 H new ATOM 0 HG12 ILE A 48 31.173 25.968 9.745 1.00 21.08 H new ATOM 0 HG13 ILE A 48 32.285 24.948 8.853 1.00 21.08 H new ATOM 0 HG21 ILE A 48 32.051 28.563 8.047 1.00 21.08 H new ATOM 0 HG22 ILE A 48 30.722 28.410 6.873 1.00 21.08 H new ATOM 0 HG23 ILE A 48 30.404 28.194 8.611 1.00 21.08 H new ATOM 0 HD11 ILE A 48 33.515 26.417 10.428 1.00 19.82 H new ATOM 0 HD12 ILE A 48 33.936 26.818 8.746 1.00 19.82 H new ATOM 0 HD13 ILE A 48 32.807 27.853 9.652 1.00 19.82 H new ATOM 799 N GLU A 49 30.461 25.837 4.980 1.00 26.87 N ATOM 800 CA GLU A 49 30.100 26.132 3.569 1.00 31.21 C ATOM 801 C GLU A 49 28.654 25.739 3.316 1.00 31.88 C ATOM 802 O GLU A 49 27.815 26.563 3.009 1.00 31.73 O ATOM 803 CB GLU A 49 30.964 25.266 2.669 1.00 32.85 C ATOM 804 CG GLU A 49 32.366 25.865 2.524 1.00 36.76 C ATOM 805 CD GLU A 49 33.102 25.160 1.383 1.00 40.40 C ATOM 806 OE1 GLU A 49 32.526 25.048 0.313 1.00 43.41 O ATOM 807 OE2 GLU A 49 34.228 24.745 1.598 1.00 40.28 O ATOM 0 H GLU A 49 31.359 25.369 5.104 1.00 26.87 H new ATOM 0 HA GLU A 49 30.244 27.194 3.372 1.00 31.21 H new ATOM 0 HB2 GLU A 49 31.034 24.260 3.083 1.00 32.85 H new ATOM 0 HB3 GLU A 49 30.499 25.175 1.688 1.00 32.85 H new ATOM 0 HG2 GLU A 49 32.298 26.934 2.322 1.00 36.76 H new ATOM 0 HG3 GLU A 49 32.921 25.751 3.455 1.00 36.76 H new ATOM 814 N GLU A 50 28.357 24.473 3.457 1.00 32.05 N ATOM 815 CA GLU A 50 26.964 24.016 3.242 1.00 30.33 C ATOM 816 C GLU A 50 26.088 24.920 4.079 1.00 29.99 C ATOM 817 O GLU A 50 25.082 25.399 3.647 1.00 26.76 O ATOM 818 CB GLU A 50 26.833 22.547 3.698 1.00 33.38 C ATOM 819 CG GLU A 50 25.725 21.838 2.909 1.00 33.45 C ATOM 820 CD GLU A 50 25.707 20.354 3.279 1.00 36.89 C ATOM 821 OE1 GLU A 50 25.299 20.045 4.387 1.00 36.13 O ATOM 822 OE2 GLU A 50 26.103 19.552 2.449 1.00 35.55 O ATOM 0 H GLU A 50 29.021 23.742 3.711 1.00 32.05 H new ATOM 0 HA GLU A 50 26.673 24.064 2.193 1.00 30.33 H new ATOM 0 HB2 GLU A 50 27.781 22.029 3.552 1.00 33.38 H new ATOM 0 HB3 GLU A 50 26.610 22.509 4.764 1.00 33.38 H new ATOM 0 HG2 GLU A 50 24.759 22.291 3.131 1.00 33.45 H new ATOM 0 HG3 GLU A 50 25.894 21.955 1.839 1.00 33.45 H new ATOM 829 N GLY A 51 26.532 25.189 5.261 1.00 0.00 N ATOM 830 CA GLY A 51 25.788 26.091 6.170 1.00 0.00 C ATOM 831 C GLY A 51 25.579 27.457 5.500 1.00 0.00 C ATOM 832 O GLY A 51 24.475 27.907 5.282 1.00 0.00 O ATOM 0 H GLY A 51 27.399 24.815 5.648 1.00 0.00 H new ATOM 0 HA2 GLY A 51 24.824 25.650 6.424 1.00 0.00 H new ATOM 0 HA3 GLY A 51 26.338 26.215 7.103 1.00 0.00 H new ATOM 836 N GLN A 52 26.654 28.130 5.182 1.00 29.60 N ATOM 837 CA GLN A 52 26.543 29.474 4.531 1.00 32.81 C ATOM 838 C GLN A 52 25.541 29.378 3.398 1.00 33.63 C ATOM 839 O GLN A 52 24.621 30.162 3.278 1.00 32.37 O ATOM 840 CB GLN A 52 27.898 29.877 3.942 1.00 32.81 C ATOM 841 CG GLN A 52 28.999 29.781 5.014 1.00 34.44 C ATOM 842 CD GLN A 52 29.175 31.128 5.721 1.00 35.84 C ATOM 843 OE1 GLN A 52 28.218 31.723 6.171 1.00 36.29 O ATOM 844 NE2 GLN A 52 30.370 31.634 5.831 1.00 38.34 N ATOM 0 H GLN A 52 27.608 27.808 5.345 1.00 29.60 H new ATOM 0 HA GLN A 52 26.228 30.212 5.269 1.00 32.81 H new ATOM 0 HB2 GLN A 52 28.143 29.229 3.101 1.00 32.81 H new ATOM 0 HB3 GLN A 52 27.846 30.895 3.556 1.00 32.81 H new ATOM 0 HG2 GLN A 52 28.740 29.012 5.742 1.00 34.44 H new ATOM 0 HG3 GLN A 52 29.939 29.480 4.553 1.00 34.44 H new ATOM 0 HE21 GLN A 52 31.173 31.132 5.452 1.00 38.34 H new ATOM 0 HE22 GLN A 52 30.503 32.532 6.296 1.00 38.34 H new ATOM 853 N TYR A 53 25.723 28.398 2.573 1.00 34.79 N ATOM 854 CA TYR A 53 24.800 28.196 1.437 1.00 37.88 C ATOM 855 C TYR A 53 23.439 27.790 1.995 1.00 39.97 C ATOM 856 O TYR A 53 22.409 28.311 1.628 1.00 39.08 O ATOM 857 CB TYR A 53 25.356 27.073 0.550 1.00 39.97 C ATOM 858 CG TYR A 53 24.255 26.490 -0.305 1.00 42.20 C ATOM 859 CD1 TYR A 53 23.392 25.529 0.226 1.00 42.61 C ATOM 860 CD2 TYR A 53 24.101 26.917 -1.619 1.00 42.58 C ATOM 861 CE1 TYR A 53 22.375 24.993 -0.559 1.00 45.45 C ATOM 862 CE2 TYR A 53 23.082 26.382 -2.416 1.00 44.68 C ATOM 863 CZ TYR A 53 22.216 25.418 -1.885 1.00 45.19 C ATOM 864 OH TYR A 53 21.211 24.887 -2.667 1.00 49.10 O ATOM 0 H TYR A 53 26.482 27.719 2.638 1.00 34.79 H new ATOM 0 HA TYR A 53 24.700 29.107 0.848 1.00 37.88 H new ATOM 0 HB2 TYR A 53 26.152 27.462 -0.085 1.00 39.97 H new ATOM 0 HB3 TYR A 53 25.796 26.293 1.171 1.00 39.97 H new ATOM 0 HD1 TYR A 53 23.514 25.201 1.248 1.00 42.61 H new ATOM 0 HD2 TYR A 53 24.768 27.662 -2.026 1.00 42.58 H new ATOM 0 HE1 TYR A 53 21.709 24.250 -0.146 1.00 45.45 H new ATOM 0 HE2 TYR A 53 22.964 26.712 -3.438 1.00 44.68 H new ATOM 0 HH TYR A 53 20.565 24.421 -2.097 1.00 49.10 H new ATOM 874 N VAL A 54 23.448 26.850 2.881 1.00 39.04 N ATOM 875 CA VAL A 54 22.188 26.360 3.486 1.00 40.51 C ATOM 876 C VAL A 54 21.366 27.562 3.971 1.00 40.89 C ATOM 877 O VAL A 54 20.187 27.675 3.703 1.00 40.52 O ATOM 878 CB VAL A 54 22.599 25.469 4.659 1.00 40.89 C ATOM 879 CG1 VAL A 54 21.506 25.372 5.695 1.00 41.12 C ATOM 880 CG2 VAL A 54 23.010 24.050 4.183 1.00 40.75 C ATOM 0 H VAL A 54 24.292 26.389 3.221 1.00 39.04 H new ATOM 0 HA VAL A 54 21.575 25.802 2.778 1.00 40.51 H new ATOM 0 HB VAL A 54 23.467 25.941 5.120 1.00 40.89 H new ATOM 0 HG11 VAL A 54 21.835 24.731 6.512 1.00 41.12 H new ATOM 0 HG12 VAL A 54 21.282 26.366 6.081 1.00 41.12 H new ATOM 0 HG13 VAL A 54 20.610 24.949 5.240 1.00 41.12 H new ATOM 0 HG21 VAL A 54 23.296 23.446 5.044 1.00 40.75 H new ATOM 0 HG22 VAL A 54 22.169 23.580 3.673 1.00 40.75 H new ATOM 0 HG23 VAL A 54 23.854 24.126 3.498 1.00 40.75 H new ATOM 890 N VAL A 55 21.992 28.451 4.688 1.00 40.66 N ATOM 891 CA VAL A 55 21.270 29.645 5.207 1.00 41.79 C ATOM 892 C VAL A 55 20.975 30.607 4.052 1.00 43.19 C ATOM 893 O VAL A 55 19.834 30.937 3.794 1.00 42.93 O ATOM 894 CB VAL A 55 22.146 30.334 6.265 1.00 40.93 C ATOM 895 CG1 VAL A 55 21.403 31.522 6.889 1.00 40.61 C ATOM 896 CG2 VAL A 55 22.484 29.324 7.364 1.00 41.17 C ATOM 0 H VAL A 55 22.979 28.402 4.939 1.00 40.66 H new ATOM 0 HA VAL A 55 20.325 29.345 5.661 1.00 41.79 H new ATOM 0 HB VAL A 55 23.056 30.698 5.789 1.00 40.93 H new ATOM 0 HG11 VAL A 55 22.039 31.997 7.636 1.00 40.61 H new ATOM 0 HG12 VAL A 55 21.154 32.244 6.112 1.00 40.61 H new ATOM 0 HG13 VAL A 55 20.487 31.170 7.364 1.00 40.61 H new ATOM 0 HG21 VAL A 55 23.106 29.803 8.120 1.00 41.17 H new ATOM 0 HG22 VAL A 55 21.563 28.966 7.825 1.00 41.17 H new ATOM 0 HG23 VAL A 55 23.024 28.482 6.931 1.00 41.17 H new ATOM 906 N ASN A 56 21.980 31.066 3.353 1.00 43.65 N ATOM 907 CA ASN A 56 21.710 32.006 2.229 1.00 46.57 C ATOM 908 C ASN A 56 20.657 31.383 1.308 1.00 47.19 C ATOM 909 O ASN A 56 19.883 32.071 0.677 1.00 46.87 O ATOM 910 CB ASN A 56 23.018 32.323 1.470 1.00 46.25 C ATOM 911 CG ASN A 56 23.341 31.279 0.388 1.00 46.74 C ATOM 912 OD1 ASN A 56 22.753 30.224 0.333 1.00 46.94 O ATOM 913 ND2 ASN A 56 24.272 31.542 -0.487 1.00 47.06 N ATOM 0 H ASN A 56 22.961 30.834 3.509 1.00 43.65 H new ATOM 0 HA ASN A 56 21.324 32.950 2.613 1.00 46.57 H new ATOM 0 HB2 ASN A 56 22.936 33.307 1.008 1.00 46.25 H new ATOM 0 HB3 ASN A 56 23.843 32.372 2.180 1.00 46.25 H new ATOM 0 HD21 ASN A 56 24.499 30.860 -1.211 1.00 47.06 H new ATOM 0 HD22 ASN A 56 24.773 32.430 -0.448 1.00 47.06 H new ATOM 920 N GLU A 57 20.618 30.081 1.252 1.00 49.43 N ATOM 921 CA GLU A 57 19.613 29.390 0.396 1.00 51.03 C ATOM 922 C GLU A 57 18.238 29.560 1.036 1.00 51.99 C ATOM 923 O GLU A 57 17.325 30.102 0.444 1.00 52.02 O ATOM 924 CB GLU A 57 19.961 27.898 0.308 1.00 52.77 C ATOM 925 CG GLU A 57 18.970 27.176 -0.609 1.00 54.20 C ATOM 926 CD GLU A 57 19.256 25.674 -0.593 1.00 56.33 C ATOM 927 OE1 GLU A 57 19.621 25.170 0.456 1.00 57.66 O ATOM 928 OE2 GLU A 57 19.100 25.051 -1.630 1.00 57.76 O ATOM 0 H GLU A 57 21.244 29.461 1.766 1.00 49.43 H new ATOM 0 HA GLU A 57 19.613 29.816 -0.608 1.00 51.03 H new ATOM 0 HB2 GLU A 57 20.975 27.776 -0.073 1.00 52.77 H new ATOM 0 HB3 GLU A 57 19.938 27.453 1.303 1.00 52.77 H new ATOM 0 HG2 GLU A 57 17.949 27.365 -0.278 1.00 54.20 H new ATOM 0 HG3 GLU A 57 19.053 27.561 -1.625 1.00 54.20 H new ATOM 935 N TYR A 58 18.090 29.110 2.251 1.00 53.12 N ATOM 936 CA TYR A 58 16.783 29.253 2.946 1.00 54.13 C ATOM 937 C TYR A 58 16.335 30.703 2.848 1.00 54.38 C ATOM 938 O TYR A 58 15.175 31.028 2.990 1.00 55.12 O ATOM 939 CB TYR A 58 16.952 28.874 4.416 1.00 54.54 C ATOM 940 CG TYR A 58 15.601 28.720 5.055 1.00 55.20 C ATOM 941 CD1 TYR A 58 14.970 27.476 5.034 1.00 55.36 C ATOM 942 CD2 TYR A 58 14.980 29.815 5.667 1.00 55.64 C ATOM 943 CE1 TYR A 58 13.716 27.319 5.624 1.00 55.93 C ATOM 944 CE2 TYR A 58 13.722 29.660 6.261 1.00 56.15 C ATOM 945 CZ TYR A 58 13.089 28.410 6.240 1.00 56.20 C ATOM 946 OH TYR A 58 11.849 28.254 6.824 1.00 58.01 O ATOM 0 H TYR A 58 18.821 28.648 2.793 1.00 53.12 H new ATOM 0 HA TYR A 58 16.040 28.602 2.486 1.00 54.13 H new ATOM 0 HB2 TYR A 58 17.513 27.943 4.500 1.00 54.54 H new ATOM 0 HB3 TYR A 58 17.526 29.641 4.936 1.00 54.54 H new ATOM 0 HD1 TYR A 58 15.453 26.634 4.561 1.00 55.36 H new ATOM 0 HD2 TYR A 58 15.470 30.777 5.681 1.00 55.64 H new ATOM 0 HE1 TYR A 58 13.228 26.356 5.606 1.00 55.93 H new ATOM 0 HE2 TYR A 58 13.240 30.502 6.735 1.00 56.15 H new ATOM 0 HH TYR A 58 11.651 27.299 6.922 1.00 58.01 H new ATOM 1151 N ASP B 7 13.214 22.950 8.691 1.00 55.77 N ATOM 1152 CA ASP B 7 12.699 24.171 9.370 1.00 53.95 C ATOM 1153 C ASP B 7 13.033 24.108 10.861 1.00 52.49 C ATOM 1154 O ASP B 7 13.680 24.987 11.396 1.00 51.89 O ATOM 1155 CB ASP B 7 11.186 24.250 9.179 1.00 54.63 C ATOM 1156 CG ASP B 7 10.870 24.713 7.754 1.00 55.27 C ATOM 1157 OD1 ASP B 7 11.208 23.993 6.829 1.00 55.55 O ATOM 1158 OD2 ASP B 7 10.296 25.781 7.613 1.00 56.33 O ATOM 0 HA ASP B 7 13.166 25.057 8.939 1.00 53.95 H new ATOM 0 HB2 ASP B 7 10.735 23.275 9.364 1.00 54.63 H new ATOM 0 HB3 ASP B 7 10.754 24.943 9.901 1.00 54.63 H new ATOM 1163 N VAL B 8 12.620 23.066 11.537 1.00 50.38 N ATOM 1164 CA VAL B 8 12.948 22.946 12.993 1.00 48.45 C ATOM 1165 C VAL B 8 14.442 23.209 13.158 1.00 46.36 C ATOM 1166 O VAL B 8 14.882 23.897 14.057 1.00 44.84 O ATOM 1167 CB VAL B 8 12.642 21.515 13.495 1.00 48.63 C ATOM 1168 CG1 VAL B 8 11.197 21.440 13.979 1.00 48.83 C ATOM 1169 CG2 VAL B 8 12.878 20.488 12.368 1.00 47.55 C ATOM 0 H VAL B 8 12.074 22.297 11.149 1.00 50.38 H new ATOM 0 HA VAL B 8 12.353 23.658 13.565 1.00 48.45 H new ATOM 0 HB VAL B 8 13.311 21.279 14.323 1.00 48.63 H new ATOM 0 HG11 VAL B 8 10.983 20.431 14.332 1.00 48.83 H new ATOM 0 HG12 VAL B 8 11.049 22.149 14.794 1.00 48.83 H new ATOM 0 HG13 VAL B 8 10.525 21.687 13.157 1.00 48.83 H new ATOM 0 HG21 VAL B 8 12.658 19.486 12.737 1.00 47.55 H new ATOM 0 HG22 VAL B 8 12.225 20.716 11.526 1.00 47.55 H new ATOM 0 HG23 VAL B 8 13.918 20.536 12.044 1.00 47.55 H new ATOM 1179 N PHE B 9 15.214 22.649 12.278 1.00 44.57 N ATOM 1180 CA PHE B 9 16.681 22.833 12.340 1.00 42.68 C ATOM 1181 C PHE B 9 16.987 24.329 12.373 1.00 41.92 C ATOM 1182 O PHE B 9 17.557 24.836 13.318 1.00 40.56 O ATOM 1183 CB PHE B 9 17.325 22.181 11.102 1.00 41.99 C ATOM 1184 CG PHE B 9 18.734 21.776 11.432 1.00 41.32 C ATOM 1185 CD1 PHE B 9 19.765 22.704 11.293 1.00 41.38 C ATOM 1186 CD2 PHE B 9 19.006 20.483 11.888 1.00 41.88 C ATOM 1187 CE1 PHE B 9 21.071 22.343 11.607 1.00 39.40 C ATOM 1188 CE2 PHE B 9 20.317 20.123 12.205 1.00 39.39 C ATOM 1189 CZ PHE B 9 21.347 21.058 12.062 1.00 40.84 C ATOM 0 H PHE B 9 14.886 22.065 11.509 1.00 44.57 H new ATOM 0 HA PHE B 9 17.087 22.363 13.236 1.00 42.68 H new ATOM 0 HB2 PHE B 9 16.747 21.310 10.793 1.00 41.99 H new ATOM 0 HB3 PHE B 9 17.321 22.880 10.265 1.00 41.99 H new ATOM 0 HD1 PHE B 9 19.550 23.702 10.942 1.00 41.38 H new ATOM 0 HD2 PHE B 9 18.206 19.766 11.995 1.00 41.88 H new ATOM 0 HE1 PHE B 9 21.871 23.060 11.498 1.00 39.40 H new ATOM 0 HE2 PHE B 9 20.535 19.126 12.559 1.00 39.39 H new ATOM 0 HZ PHE B 9 22.362 20.781 12.306 1.00 40.84 H new ATOM 1199 N LEU B 10 16.598 25.040 11.356 1.00 41.09 N ATOM 1200 CA LEU B 10 16.855 26.504 11.345 1.00 41.50 C ATOM 1201 C LEU B 10 16.149 27.121 12.545 1.00 41.09 C ATOM 1202 O LEU B 10 16.622 28.066 13.142 1.00 38.55 O ATOM 1203 CB LEU B 10 16.318 27.111 10.052 1.00 42.71 C ATOM 1204 CG LEU B 10 16.758 26.250 8.866 1.00 43.61 C ATOM 1205 CD1 LEU B 10 16.379 26.952 7.569 1.00 44.50 C ATOM 1206 CD2 LEU B 10 18.276 26.046 8.904 1.00 43.61 C ATOM 0 H LEU B 10 16.116 24.674 10.535 1.00 41.09 H new ATOM 0 HA LEU B 10 17.926 26.701 11.401 1.00 41.50 H new ATOM 0 HB2 LEU B 10 15.230 27.170 10.089 1.00 42.71 H new ATOM 0 HB3 LEU B 10 16.689 28.129 9.934 1.00 42.71 H new ATOM 0 HG LEU B 10 16.263 25.280 8.923 1.00 43.61 H new ATOM 0 HD11 LEU B 10 16.691 26.342 6.721 1.00 44.50 H new ATOM 0 HD12 LEU B 10 15.299 27.096 7.535 1.00 44.50 H new ATOM 0 HD13 LEU B 10 16.876 27.921 7.521 1.00 44.50 H new ATOM 0 HD21 LEU B 10 18.582 25.432 8.057 1.00 43.61 H new ATOM 0 HD22 LEU B 10 18.775 27.014 8.850 1.00 43.61 H new ATOM 0 HD23 LEU B 10 18.553 25.547 9.833 1.00 43.61 H new ATOM 1218 N ASP B 11 15.026 26.580 12.922 1.00 41.28 N ATOM 1219 CA ASP B 11 14.316 27.130 14.104 1.00 41.44 C ATOM 1220 C ASP B 11 15.251 27.016 15.306 1.00 39.86 C ATOM 1221 O ASP B 11 15.604 28.004 15.916 1.00 37.26 O ATOM 1222 CB ASP B 11 13.028 26.340 14.361 1.00 44.23 C ATOM 1223 CG ASP B 11 12.098 27.154 15.263 1.00 46.87 C ATOM 1224 OD1 ASP B 11 11.936 28.335 15.002 1.00 48.41 O ATOM 1225 OD2 ASP B 11 11.564 26.584 16.200 1.00 49.31 O ATOM 0 H ASP B 11 14.573 25.788 12.466 1.00 41.28 H new ATOM 0 HA ASP B 11 14.045 28.172 13.932 1.00 41.44 H new ATOM 0 HB2 ASP B 11 12.532 26.117 13.417 1.00 44.23 H new ATOM 0 HB3 ASP B 11 13.263 25.385 14.831 1.00 44.23 H new ATOM 1230 N TYR B 12 15.688 25.823 15.644 1.00 39.23 N ATOM 1231 CA TYR B 12 16.624 25.696 16.799 1.00 38.08 C ATOM 1232 C TYR B 12 17.766 26.674 16.592 1.00 34.01 C ATOM 1233 O TYR B 12 18.169 27.377 17.496 1.00 32.49 O ATOM 1234 CB TYR B 12 17.235 24.295 16.884 1.00 42.28 C ATOM 1235 CG TYR B 12 16.192 23.196 16.981 1.00 47.31 C ATOM 1236 CD1 TYR B 12 15.017 23.345 17.744 1.00 49.49 C ATOM 1237 CD2 TYR B 12 16.433 21.991 16.316 1.00 48.65 C ATOM 1238 CE1 TYR B 12 14.103 22.287 17.829 1.00 50.83 C ATOM 1239 CE2 TYR B 12 15.526 20.945 16.401 1.00 51.34 C ATOM 1240 CZ TYR B 12 14.359 21.085 17.158 1.00 50.67 C ATOM 1241 OH TYR B 12 13.459 20.042 17.241 1.00 52.32 O ATOM 0 H TYR B 12 15.440 24.950 15.178 1.00 39.23 H new ATOM 0 HA TYR B 12 16.064 25.894 17.713 1.00 38.08 H new ATOM 0 HB2 TYR B 12 17.856 24.122 16.005 1.00 42.28 H new ATOM 0 HB3 TYR B 12 17.891 24.243 17.753 1.00 42.28 H new ATOM 0 HD1 TYR B 12 14.822 24.272 18.262 1.00 49.49 H new ATOM 0 HD2 TYR B 12 17.333 21.873 15.731 1.00 48.65 H new ATOM 0 HE1 TYR B 12 13.201 22.398 18.412 1.00 50.83 H new ATOM 0 HE2 TYR B 12 15.722 20.019 15.881 1.00 51.34 H new ATOM 0 HH TYR B 12 13.789 19.283 16.716 1.00 52.32 H new ATOM 1251 N CYS B 13 18.295 26.739 15.404 1.00 32.32 N ATOM 1252 CA CYS B 13 19.399 27.690 15.162 1.00 29.00 C ATOM 1253 C CYS B 13 18.939 29.058 15.644 1.00 29.81 C ATOM 1254 O CYS B 13 19.504 29.619 16.552 1.00 24.62 O ATOM 1255 CB CYS B 13 19.740 27.736 13.672 1.00 28.41 C ATOM 1256 SG CYS B 13 19.956 26.049 13.051 1.00 23.95 S ATOM 0 H CYS B 13 18.011 26.179 14.601 1.00 32.32 H new ATOM 0 HA CYS B 13 20.296 27.380 15.698 1.00 29.00 H new ATOM 0 HB2 CYS B 13 18.945 28.239 13.121 1.00 28.41 H new ATOM 0 HB3 CYS B 13 20.651 28.313 13.514 1.00 28.41 H new ATOM 0 HG CYS B 13 18.818 25.422 13.093 1.00 23.95 H new ATOM 1262 N GLN B 14 17.888 29.577 15.070 1.00 29.76 N ATOM 1263 CA GLN B 14 17.369 30.897 15.521 1.00 32.34 C ATOM 1264 C GLN B 14 17.247 30.890 17.050 1.00 33.14 C ATOM 1265 O GLN B 14 17.558 31.858 17.711 1.00 33.29 O ATOM 1266 CB GLN B 14 15.998 31.150 14.880 1.00 34.56 C ATOM 1267 CG GLN B 14 15.680 32.647 14.893 1.00 39.08 C ATOM 1268 CD GLN B 14 15.354 33.090 16.320 1.00 41.02 C ATOM 1269 OE1 GLN B 14 16.241 33.762 17.000 1.00 42.67 O flip ATOM 1270 NE2 GLN B 14 14.281 32.821 16.822 1.00 42.20 N flip ATOM 0 H GLN B 14 17.367 29.143 14.308 1.00 29.76 H new ATOM 0 HA GLN B 14 18.052 31.691 15.219 1.00 32.34 H new ATOM 0 HB2 GLN B 14 15.993 30.778 13.855 1.00 34.56 H new ATOM 0 HB3 GLN B 14 15.228 30.602 15.422 1.00 34.56 H new ATOM 0 HG2 GLN B 14 16.530 33.213 14.511 1.00 39.08 H new ATOM 0 HG3 GLN B 14 14.836 32.856 14.235 1.00 39.08 H new ATOM 0 HE21 GLN B 14 13.587 32.295 16.291 1.00 42.20 H new ATOM 0 HE22 GLN B 14 14.074 33.121 17.775 1.00 42.20 H new ATOM 1279 N LYS B 15 16.822 29.798 17.625 1.00 31.48 N ATOM 1280 CA LYS B 15 16.730 29.751 19.110 1.00 31.70 C ATOM 1281 C LYS B 15 18.157 29.794 19.648 1.00 30.74 C ATOM 1282 O LYS B 15 18.539 30.691 20.367 1.00 30.57 O ATOM 1283 CB LYS B 15 16.064 28.447 19.557 1.00 35.91 C ATOM 1284 CG LYS B 15 14.661 28.317 18.950 1.00 40.53 C ATOM 1285 CD LYS B 15 13.649 29.116 19.770 1.00 42.80 C ATOM 1286 CE LYS B 15 12.237 28.760 19.309 1.00 45.27 C ATOM 1287 NZ LYS B 15 11.257 29.691 19.937 1.00 48.21 N ATOM 0 H LYS B 15 16.538 28.948 17.138 1.00 31.48 H new ATOM 0 HA LYS B 15 16.137 30.586 19.482 1.00 31.70 H new ATOM 0 HB2 LYS B 15 16.677 27.598 19.254 1.00 35.91 H new ATOM 0 HB3 LYS B 15 15.999 28.421 20.645 1.00 35.91 H new ATOM 0 HG2 LYS B 15 14.669 28.676 17.921 1.00 40.53 H new ATOM 0 HG3 LYS B 15 14.367 27.268 18.920 1.00 40.53 H new ATOM 0 HD2 LYS B 15 13.765 28.893 20.831 1.00 42.80 H new ATOM 0 HD3 LYS B 15 13.826 30.185 19.647 1.00 42.80 H new ATOM 0 HE2 LYS B 15 12.171 28.825 18.223 1.00 45.27 H new ATOM 0 HE3 LYS B 15 12.003 27.731 19.582 1.00 45.27 H new ATOM 0 HZ1 LYS B 15 10.296 29.448 19.622 1.00 48.21 H new ATOM 0 HZ2 LYS B 15 11.314 29.608 20.972 1.00 48.21 H new ATOM 0 HZ3 LYS B 15 11.476 30.668 19.655 1.00 48.21 H new ATOM 1301 N LEU B 16 18.970 28.845 19.268 1.00 26.59 N ATOM 1302 CA LEU B 16 20.387 28.855 19.728 1.00 27.03 C ATOM 1303 C LEU B 16 20.948 30.248 19.447 1.00 24.17 C ATOM 1304 O LEU B 16 21.680 30.820 20.231 1.00 23.26 O ATOM 1305 CB LEU B 16 21.169 27.787 18.946 1.00 28.15 C ATOM 1306 CG LEU B 16 22.409 27.332 19.732 1.00 28.00 C ATOM 1307 CD1 LEU B 16 21.995 26.653 21.053 1.00 30.50 C ATOM 1308 CD2 LEU B 16 23.216 26.348 18.866 1.00 26.29 C ATOM 0 H LEU B 16 18.715 28.066 18.661 1.00 26.59 H new ATOM 0 HA LEU B 16 20.467 28.631 20.792 1.00 27.03 H new ATOM 0 HB2 LEU B 16 20.524 26.931 18.748 1.00 28.15 H new ATOM 0 HB3 LEU B 16 21.473 28.188 17.979 1.00 28.15 H new ATOM 0 HG LEU B 16 23.020 28.202 19.973 1.00 28.00 H new ATOM 0 HD11 LEU B 16 22.887 26.338 21.595 1.00 30.50 H new ATOM 0 HD12 LEU B 16 21.430 27.358 21.663 1.00 30.50 H new ATOM 0 HD13 LEU B 16 21.376 25.783 20.836 1.00 30.50 H new ATOM 0 HD21 LEU B 16 24.098 26.019 19.415 1.00 26.29 H new ATOM 0 HD22 LEU B 16 22.597 25.484 18.624 1.00 26.29 H new ATOM 0 HD23 LEU B 16 23.525 26.843 17.945 1.00 26.29 H new ATOM 1320 N LEU B 17 20.557 30.798 18.337 1.00 23.83 N ATOM 1321 CA LEU B 17 20.991 32.169 17.967 1.00 25.91 C ATOM 1322 C LEU B 17 20.464 33.128 19.041 1.00 28.74 C ATOM 1323 O LEU B 17 21.097 34.104 19.393 1.00 29.35 O ATOM 1324 CB LEU B 17 20.373 32.527 16.601 1.00 23.53 C ATOM 1325 CG LEU B 17 21.213 33.602 15.875 1.00 23.31 C ATOM 1326 CD1 LEU B 17 22.373 32.927 15.110 1.00 16.92 C ATOM 1327 CD2 LEU B 17 20.332 34.411 14.877 1.00 19.75 C ATOM 0 H LEU B 17 19.944 30.347 17.658 1.00 23.83 H new ATOM 0 HA LEU B 17 22.077 32.238 17.901 1.00 25.91 H new ATOM 0 HB2 LEU B 17 20.308 31.632 15.982 1.00 23.53 H new ATOM 0 HB3 LEU B 17 19.355 32.891 16.743 1.00 23.53 H new ATOM 0 HG LEU B 17 21.614 34.288 16.621 1.00 23.31 H new ATOM 0 HD11 LEU B 17 22.963 33.688 14.599 1.00 16.92 H new ATOM 0 HD12 LEU B 17 23.007 32.387 15.813 1.00 16.92 H new ATOM 0 HD13 LEU B 17 21.968 32.229 14.377 1.00 16.92 H new ATOM 0 HD21 LEU B 17 20.944 35.162 14.377 1.00 19.75 H new ATOM 0 HD22 LEU B 17 19.909 33.735 14.134 1.00 19.75 H new ATOM 0 HD23 LEU B 17 19.525 34.903 15.420 1.00 19.75 H new ATOM 1339 N GLU B 18 19.294 32.842 19.559 1.00 30.66 N ATOM 1340 CA GLU B 18 18.691 33.711 20.609 1.00 33.61 C ATOM 1341 C GLU B 18 19.287 33.335 21.974 1.00 34.68 C ATOM 1342 O GLU B 18 19.644 34.188 22.762 1.00 34.80 O ATOM 1343 CB GLU B 18 17.144 33.533 20.573 1.00 35.91 C ATOM 1344 CG GLU B 18 16.616 32.699 21.756 1.00 37.64 C ATOM 1345 CD GLU B 18 15.109 32.495 21.596 1.00 40.24 C ATOM 1346 OE1 GLU B 18 14.478 33.340 20.982 1.00 40.39 O ATOM 1347 OE2 GLU B 18 14.611 31.497 22.090 1.00 40.89 O ATOM 0 H GLU B 18 18.729 32.035 19.294 1.00 30.66 H new ATOM 0 HA GLU B 18 18.915 34.763 20.429 1.00 33.61 H new ATOM 0 HB2 GLU B 18 16.669 34.514 20.584 1.00 35.91 H new ATOM 0 HB3 GLU B 18 16.859 33.051 19.638 1.00 35.91 H new ATOM 0 HG2 GLU B 18 17.124 31.735 21.792 1.00 37.64 H new ATOM 0 HG3 GLU B 18 16.828 33.206 22.697 1.00 37.64 H new ATOM 1354 N LYS B 19 19.403 32.065 22.254 1.00 34.95 N ATOM 1355 CA LYS B 19 19.981 31.640 23.557 1.00 36.04 C ATOM 1356 C LYS B 19 21.309 32.368 23.774 1.00 35.87 C ATOM 1357 O LYS B 19 21.563 32.929 24.821 1.00 36.90 O ATOM 1358 CB LYS B 19 20.201 30.131 23.545 1.00 36.58 C ATOM 1359 CG LYS B 19 20.183 29.609 24.987 1.00 39.52 C ATOM 1360 CD LYS B 19 20.805 28.233 25.013 1.00 41.12 C ATOM 1361 CE LYS B 19 20.594 27.589 26.384 1.00 43.76 C ATOM 1362 NZ LYS B 19 21.396 28.321 27.405 1.00 45.38 N ATOM 0 H LYS B 19 19.122 31.305 21.635 1.00 34.95 H new ATOM 0 HA LYS B 19 19.298 31.890 24.369 1.00 36.04 H new ATOM 0 HB2 LYS B 19 19.423 29.642 22.959 1.00 36.58 H new ATOM 0 HB3 LYS B 19 21.154 29.894 23.071 1.00 36.58 H new ATOM 0 HG2 LYS B 19 20.735 30.285 25.640 1.00 39.52 H new ATOM 0 HG3 LYS B 19 19.160 29.568 25.361 1.00 39.52 H new ATOM 0 HD2 LYS B 19 20.361 27.610 24.237 1.00 41.12 H new ATOM 0 HD3 LYS B 19 21.871 28.303 24.795 1.00 41.12 H new ATOM 0 HE2 LYS B 19 19.537 27.613 26.650 1.00 43.76 H new ATOM 0 HE3 LYS B 19 20.892 26.541 26.355 1.00 43.76 H new ATOM 0 HZ1 LYS B 19 21.362 27.806 28.308 1.00 45.38 H new ATOM 0 HZ2 LYS B 19 22.383 28.393 27.085 1.00 45.38 H new ATOM 0 HZ3 LYS B 19 21.004 29.275 27.536 1.00 45.38 H new ATOM 1376 N PHE B 20 22.152 32.368 22.777 1.00 35.16 N ATOM 1377 CA PHE B 20 23.464 33.059 22.889 1.00 34.19 C ATOM 1378 C PHE B 20 23.330 34.466 22.305 1.00 34.42 C ATOM 1379 O PHE B 20 24.276 35.228 22.264 1.00 33.94 O ATOM 1380 CB PHE B 20 24.495 32.268 22.091 1.00 34.18 C ATOM 1381 CG PHE B 20 24.884 31.029 22.856 1.00 32.04 C ATOM 1382 CD1 PHE B 20 24.114 29.868 22.737 1.00 31.71 C ATOM 1383 CD2 PHE B 20 26.008 31.044 23.689 1.00 34.13 C ATOM 1384 CE1 PHE B 20 24.467 28.719 23.451 1.00 31.01 C ATOM 1385 CE2 PHE B 20 26.361 29.897 24.406 1.00 33.69 C ATOM 1386 CZ PHE B 20 25.590 28.733 24.287 1.00 32.95 C ATOM 0 H PHE B 20 21.983 31.913 21.880 1.00 35.16 H new ATOM 0 HA PHE B 20 23.776 33.126 23.931 1.00 34.19 H new ATOM 0 HB2 PHE B 20 24.085 31.994 21.119 1.00 34.18 H new ATOM 0 HB3 PHE B 20 25.375 32.883 21.904 1.00 34.18 H new ATOM 0 HD1 PHE B 20 23.247 29.859 22.094 1.00 31.71 H new ATOM 0 HD2 PHE B 20 26.603 31.941 23.778 1.00 34.13 H new ATOM 0 HE1 PHE B 20 23.874 27.821 23.358 1.00 31.01 H new ATOM 0 HE2 PHE B 20 27.227 29.908 25.051 1.00 33.69 H new ATOM 0 HZ PHE B 20 25.862 27.846 24.840 1.00 32.95 H new ATOM 1396 N ARG B 21 22.154 34.809 21.853 1.00 33.90 N ATOM 1397 CA ARG B 21 21.928 36.162 21.269 1.00 35.50 C ATOM 1398 C ARG B 21 22.947 36.442 20.161 1.00 34.22 C ATOM 1399 O ARG B 21 23.412 37.554 20.009 1.00 33.41 O ATOM 1400 CB ARG B 21 22.067 37.224 22.366 1.00 38.56 C ATOM 1401 CG ARG B 21 20.938 37.066 23.395 1.00 42.96 C ATOM 1402 CD ARG B 21 19.579 37.424 22.769 1.00 46.75 C ATOM 1403 NE ARG B 21 18.664 37.920 23.836 1.00 50.46 N ATOM 1404 CZ ARG B 21 17.571 38.556 23.514 1.00 51.88 C ATOM 1405 NH1 ARG B 21 17.276 38.754 22.258 1.00 54.10 N ATOM 1406 NH2 ARG B 21 16.772 38.994 24.448 1.00 54.21 N ATOM 0 H ARG B 21 21.333 34.204 21.864 1.00 33.90 H new ATOM 0 HA ARG B 21 20.924 36.197 20.845 1.00 35.50 H new ATOM 0 HB2 ARG B 21 23.035 37.126 22.858 1.00 38.56 H new ATOM 0 HB3 ARG B 21 22.032 38.220 21.926 1.00 38.56 H new ATOM 0 HG2 ARG B 21 20.916 36.040 23.763 1.00 42.96 H new ATOM 0 HG3 ARG B 21 21.129 37.709 24.254 1.00 42.96 H new ATOM 0 HD2 ARG B 21 19.708 38.186 22.001 1.00 46.75 H new ATOM 0 HD3 ARG B 21 19.148 36.550 22.281 1.00 46.75 H new ATOM 0 HE ARG B 21 18.892 37.762 24.818 1.00 50.46 H new ATOM 0 HH11 ARG B 21 17.900 38.411 21.527 1.00 54.10 H new ATOM 0 HH12 ARG B 21 16.421 39.251 22.007 1.00 54.10 H new ATOM 0 HH21 ARG B 21 17.002 38.839 25.430 1.00 54.21 H new ATOM 0 HH22 ARG B 21 15.918 39.491 24.196 1.00 54.21 H new ATOM 1420 N TYR B 22 23.300 35.455 19.379 1.00 31.03 N ATOM 1421 CA TYR B 22 24.283 35.701 18.290 1.00 30.00 C ATOM 1422 C TYR B 22 23.604 36.544 17.181 1.00 28.60 C ATOM 1423 O TYR B 22 22.408 36.441 16.999 1.00 27.38 O ATOM 1424 CB TYR B 22 24.713 34.355 17.687 1.00 26.97 C ATOM 1425 CG TYR B 22 25.781 33.684 18.541 1.00 28.47 C ATOM 1426 CD1 TYR B 22 27.009 34.322 18.795 1.00 28.83 C ATOM 1427 CD2 TYR B 22 25.542 32.410 19.075 1.00 26.95 C ATOM 1428 CE1 TYR B 22 27.981 33.687 19.578 1.00 27.02 C ATOM 1429 CE2 TYR B 22 26.517 31.778 19.856 1.00 26.27 C ATOM 1430 CZ TYR B 22 27.735 32.417 20.108 1.00 26.46 C ATOM 1431 OH TYR B 22 28.696 31.794 20.878 1.00 23.82 O ATOM 0 H TYR B 22 22.952 34.499 19.448 1.00 31.03 H new ATOM 0 HA TYR B 22 25.150 36.228 18.688 1.00 30.00 H new ATOM 0 HB2 TYR B 22 23.847 33.699 17.601 1.00 26.97 H new ATOM 0 HB3 TYR B 22 25.095 34.511 16.678 1.00 26.97 H new ATOM 0 HD1 TYR B 22 27.202 35.303 18.386 1.00 28.83 H new ATOM 0 HD2 TYR B 22 24.602 31.914 18.883 1.00 26.95 H new ATOM 0 HE1 TYR B 22 28.922 34.179 19.773 1.00 27.02 H new ATOM 0 HE2 TYR B 22 26.328 30.796 20.264 1.00 26.27 H new ATOM 0 HH TYR B 22 29.371 32.450 21.152 1.00 23.82 H new ATOM 1441 N PRO B 23 24.373 37.327 16.444 1.00 29.13 N ATOM 1442 CA PRO B 23 23.814 38.128 15.337 1.00 28.62 C ATOM 1443 C PRO B 23 23.093 37.199 14.344 1.00 28.74 C ATOM 1444 O PRO B 23 23.101 35.995 14.493 1.00 26.54 O ATOM 1445 CB PRO B 23 25.036 38.813 14.681 1.00 29.12 C ATOM 1446 CG PRO B 23 26.298 38.386 15.482 1.00 29.87 C ATOM 1447 CD PRO B 23 25.827 37.488 16.647 1.00 29.51 C ATOM 0 HA PRO B 23 23.082 38.863 15.671 1.00 28.62 H new ATOM 0 HB2 PRO B 23 25.127 38.516 13.636 1.00 29.12 H new ATOM 0 HB3 PRO B 23 24.921 39.897 14.696 1.00 29.12 H new ATOM 0 HG2 PRO B 23 26.995 37.847 14.840 1.00 29.87 H new ATOM 0 HG3 PRO B 23 26.825 39.261 15.862 1.00 29.87 H new ATOM 0 HD2 PRO B 23 26.336 36.524 16.633 1.00 29.51 H new ATOM 0 HD3 PRO B 23 26.042 37.948 17.611 1.00 29.51 H new ATOM 1455 N TRP B 24 22.467 37.752 13.341 1.00 24.77 N ATOM 1456 CA TRP B 24 21.740 36.901 12.347 1.00 26.20 C ATOM 1457 C TRP B 24 22.716 36.301 11.324 1.00 24.23 C ATOM 1458 O TRP B 24 22.373 35.389 10.599 1.00 20.77 O ATOM 1459 CB TRP B 24 20.695 37.752 11.614 1.00 28.27 C ATOM 1460 CG TRP B 24 20.059 36.941 10.526 1.00 30.88 C ATOM 1461 CD1 TRP B 24 20.201 37.174 9.201 1.00 31.38 C ATOM 1462 CD2 TRP B 24 19.194 35.773 10.646 1.00 29.00 C ATOM 1463 NE1 TRP B 24 19.480 36.224 8.500 1.00 31.09 N ATOM 1464 CE2 TRP B 24 18.841 35.339 9.346 1.00 31.07 C ATOM 1465 CE3 TRP B 24 18.685 35.055 11.743 1.00 30.12 C ATOM 1466 CZ2 TRP B 24 18.015 34.232 9.143 1.00 31.07 C ATOM 1467 CZ3 TRP B 24 17.854 33.941 11.542 1.00 31.73 C ATOM 1468 CH2 TRP B 24 17.520 33.530 10.245 1.00 30.51 C ATOM 0 H TRP B 24 22.426 38.756 13.164 1.00 24.77 H new ATOM 0 HA TRP B 24 21.251 36.086 12.881 1.00 26.20 H new ATOM 0 HB2 TRP B 24 19.935 38.097 12.315 1.00 28.27 H new ATOM 0 HB3 TRP B 24 21.166 38.640 11.192 1.00 28.27 H new ATOM 0 HD1 TRP B 24 20.782 37.971 8.762 1.00 31.38 H new ATOM 0 HE1 TRP B 24 19.427 36.182 7.482 1.00 31.09 H new ATOM 0 HE3 TRP B 24 18.935 35.363 12.748 1.00 30.12 H new ATOM 0 HZ2 TRP B 24 17.760 33.920 8.141 1.00 31.07 H new ATOM 0 HZ3 TRP B 24 17.470 33.398 12.393 1.00 31.73 H new ATOM 0 HH2 TRP B 24 16.881 32.672 10.097 1.00 30.51 H new ATOM 1479 N GLU B 25 23.915 36.808 11.238 1.00 21.71 N ATOM 1480 CA GLU B 25 24.876 36.258 10.234 1.00 23.69 C ATOM 1481 C GLU B 25 25.505 34.951 10.738 1.00 22.17 C ATOM 1482 O GLU B 25 26.151 34.254 9.984 1.00 20.98 O ATOM 1483 CB GLU B 25 25.980 37.291 9.942 1.00 29.06 C ATOM 1484 CG GLU B 25 26.352 38.036 11.227 1.00 37.12 C ATOM 1485 CD GLU B 25 27.729 38.687 11.070 1.00 42.03 C ATOM 1486 OE1 GLU B 25 28.704 37.956 11.006 1.00 44.49 O ATOM 1487 OE2 GLU B 25 27.785 39.904 11.015 1.00 44.52 O ATOM 0 H GLU B 25 24.271 37.572 11.812 1.00 21.71 H new ATOM 0 HA GLU B 25 24.328 36.045 9.316 1.00 23.69 H new ATOM 0 HB2 GLU B 25 26.859 36.791 9.534 1.00 29.06 H new ATOM 0 HB3 GLU B 25 25.637 37.999 9.188 1.00 29.06 H new ATOM 0 HG2 GLU B 25 25.603 38.797 11.447 1.00 37.12 H new ATOM 0 HG3 GLU B 25 26.361 37.344 12.069 1.00 37.12 H new ATOM 1494 N LEU B 26 25.352 34.615 11.999 1.00 18.07 N ATOM 1495 CA LEU B 26 25.976 33.349 12.515 1.00 16.50 C ATOM 1496 C LEU B 26 24.998 32.182 12.437 1.00 16.77 C ATOM 1497 O LEU B 26 25.157 31.187 13.116 1.00 16.07 O ATOM 1498 CB LEU B 26 26.417 33.534 13.964 1.00 18.60 C ATOM 1499 CG LEU B 26 27.204 34.841 14.119 1.00 21.90 C ATOM 1500 CD1 LEU B 26 27.956 34.814 15.446 1.00 24.06 C ATOM 1501 CD2 LEU B 26 28.217 35.006 12.975 1.00 25.09 C ATOM 0 H LEU B 26 24.828 35.155 12.688 1.00 18.07 H new ATOM 0 HA LEU B 26 26.841 33.126 11.890 1.00 16.50 H new ATOM 0 HB2 LEU B 26 25.545 33.547 14.618 1.00 18.60 H new ATOM 0 HB3 LEU B 26 27.035 32.691 14.274 1.00 18.60 H new ATOM 0 HG LEU B 26 26.504 35.676 14.092 1.00 21.90 H new ATOM 0 HD11 LEU B 26 28.519 35.740 15.564 1.00 24.06 H new ATOM 0 HD12 LEU B 26 27.244 34.715 16.266 1.00 24.06 H new ATOM 0 HD13 LEU B 26 28.643 33.968 15.458 1.00 24.06 H new ATOM 0 HD21 LEU B 26 28.764 35.940 13.105 1.00 25.09 H new ATOM 0 HD22 LEU B 26 28.917 34.171 12.986 1.00 25.09 H new ATOM 0 HD23 LEU B 26 27.689 35.025 12.022 1.00 25.09 H new ATOM 1513 N MET B 27 24.011 32.264 11.592 1.00 15.51 N ATOM 1514 CA MET B 27 23.078 31.121 11.468 1.00 15.51 C ATOM 1515 C MET B 27 23.823 29.909 10.864 1.00 15.79 C ATOM 1516 O MET B 27 23.587 28.798 11.295 1.00 14.86 O ATOM 1517 CB MET B 27 21.864 31.500 10.604 1.00 16.03 C ATOM 1518 CG MET B 27 20.881 32.319 11.434 1.00 14.48 C ATOM 1519 SD MET B 27 20.008 31.243 12.603 1.00 11.00 S ATOM 1520 CE MET B 27 19.092 30.255 11.394 1.00 16.96 C ATOM 0 H MET B 27 23.814 33.064 10.990 1.00 15.51 H new ATOM 0 HA MET B 27 22.710 30.854 12.459 1.00 15.51 H new ATOM 0 HB2 MET B 27 22.188 32.073 9.735 1.00 16.03 H new ATOM 0 HB3 MET B 27 21.377 30.600 10.229 1.00 16.03 H new ATOM 0 HG2 MET B 27 21.413 33.101 11.975 1.00 14.48 H new ATOM 0 HG3 MET B 27 20.165 32.815 10.779 1.00 14.48 H new ATOM 0 HE1 MET B 27 18.099 30.031 11.784 1.00 16.96 H new ATOM 0 HE2 MET B 27 18.998 30.814 10.463 1.00 16.96 H new ATOM 0 HE3 MET B 27 19.626 29.324 11.206 1.00 16.96 H new ATOM 1530 N PRO B 28 24.724 30.124 9.904 1.00 15.25 N ATOM 1531 CA PRO B 28 25.484 29.002 9.320 1.00 16.18 C ATOM 1532 C PRO B 28 26.277 28.314 10.434 1.00 15.53 C ATOM 1533 O PRO B 28 26.476 27.125 10.416 1.00 16.52 O ATOM 1534 CB PRO B 28 26.410 29.659 8.265 1.00 16.78 C ATOM 1535 CG PRO B 28 25.895 31.105 8.072 1.00 19.84 C ATOM 1536 CD PRO B 28 25.066 31.444 9.320 1.00 17.18 C ATOM 0 HA PRO B 28 24.859 28.237 8.859 1.00 16.18 H new ATOM 0 HB2 PRO B 28 27.446 29.658 8.603 1.00 16.78 H new ATOM 0 HB3 PRO B 28 26.381 29.108 7.325 1.00 16.78 H new ATOM 0 HG2 PRO B 28 26.726 31.801 7.958 1.00 19.84 H new ATOM 0 HG3 PRO B 28 25.288 31.183 7.170 1.00 19.84 H new ATOM 0 HD2 PRO B 28 25.635 32.054 10.022 1.00 17.18 H new ATOM 0 HD3 PRO B 28 24.170 32.008 9.061 1.00 17.18 H new ATOM 1544 N LEU B 29 26.712 29.056 11.415 1.00 13.35 N ATOM 1545 CA LEU B 29 27.469 28.431 12.535 1.00 12.43 C ATOM 1546 C LEU B 29 26.484 27.711 13.449 1.00 12.94 C ATOM 1547 O LEU B 29 26.605 26.527 13.692 1.00 13.87 O ATOM 1548 CB LEU B 29 28.217 29.515 13.314 1.00 15.82 C ATOM 1549 CG LEU B 29 28.993 30.407 12.343 1.00 12.60 C ATOM 1550 CD1 LEU B 29 29.904 31.336 13.147 1.00 13.73 C ATOM 1551 CD2 LEU B 29 29.839 29.537 11.396 1.00 13.81 C ATOM 0 H LEU B 29 26.577 30.064 11.489 1.00 13.35 H new ATOM 0 HA LEU B 29 28.194 27.716 12.146 1.00 12.43 H new ATOM 0 HB2 LEU B 29 27.512 30.115 13.889 1.00 15.82 H new ATOM 0 HB3 LEU B 29 28.902 29.056 14.028 1.00 15.82 H new ATOM 0 HG LEU B 29 28.296 30.997 11.748 1.00 12.60 H new ATOM 0 HD11 LEU B 29 30.463 31.977 12.465 1.00 13.73 H new ATOM 0 HD12 LEU B 29 29.299 31.953 13.812 1.00 13.73 H new ATOM 0 HD13 LEU B 29 30.600 30.741 13.738 1.00 13.73 H new ATOM 0 HD21 LEU B 29 30.389 30.178 10.707 1.00 13.81 H new ATOM 0 HD22 LEU B 29 30.543 28.943 11.979 1.00 13.81 H new ATOM 0 HD23 LEU B 29 29.185 28.873 10.830 1.00 13.81 H new ATOM 1563 N MET B 30 25.487 28.401 13.936 1.00 13.14 N ATOM 1564 CA MET B 30 24.481 27.729 14.802 1.00 14.92 C ATOM 1565 C MET B 30 24.002 26.478 14.066 1.00 15.06 C ATOM 1566 O MET B 30 23.774 25.436 14.648 1.00 14.78 O ATOM 1567 CB MET B 30 23.293 28.676 15.025 1.00 14.70 C ATOM 1568 CG MET B 30 23.560 29.591 16.219 1.00 10.57 C ATOM 1569 SD MET B 30 25.029 30.604 15.896 1.00 7.09 S ATOM 1570 CE MET B 30 26.102 29.941 17.198 1.00 13.40 C ATOM 0 H MET B 30 25.328 29.395 13.772 1.00 13.14 H new ATOM 0 HA MET B 30 24.913 27.466 15.768 1.00 14.92 H new ATOM 0 HB2 MET B 30 23.124 29.275 14.130 1.00 14.70 H new ATOM 0 HB3 MET B 30 22.386 28.097 15.198 1.00 14.70 H new ATOM 0 HG2 MET B 30 22.697 30.232 16.399 1.00 10.57 H new ATOM 0 HG3 MET B 30 23.708 28.996 17.120 1.00 10.57 H new ATOM 0 HE1 MET B 30 26.904 30.650 17.405 1.00 13.40 H new ATOM 0 HE2 MET B 30 25.518 29.779 18.104 1.00 13.40 H new ATOM 0 HE3 MET B 30 26.531 28.994 16.869 1.00 13.40 H new ATOM 1580 N TYR B 31 23.852 26.595 12.778 1.00 13.82 N ATOM 1581 CA TYR B 31 23.391 25.441 11.965 1.00 14.24 C ATOM 1582 C TYR B 31 24.354 24.256 12.145 1.00 15.20 C ATOM 1583 O TYR B 31 23.959 23.180 12.549 1.00 15.23 O ATOM 1584 CB TYR B 31 23.344 25.851 10.489 1.00 15.18 C ATOM 1585 CG TYR B 31 23.055 24.640 9.635 1.00 19.70 C ATOM 1586 CD1 TYR B 31 24.104 23.811 9.227 1.00 21.03 C ATOM 1587 CD2 TYR B 31 21.741 24.346 9.253 1.00 22.09 C ATOM 1588 CE1 TYR B 31 23.845 22.688 8.439 1.00 22.51 C ATOM 1589 CE2 TYR B 31 21.481 23.220 8.464 1.00 25.56 C ATOM 1590 CZ TYR B 31 22.533 22.391 8.056 1.00 25.00 C ATOM 1591 OH TYR B 31 22.276 21.281 7.277 1.00 30.46 O ATOM 0 H TYR B 31 24.031 27.449 12.250 1.00 13.82 H new ATOM 0 HA TYR B 31 22.396 25.140 12.293 1.00 14.24 H new ATOM 0 HB2 TYR B 31 22.575 26.608 10.336 1.00 15.18 H new ATOM 0 HB3 TYR B 31 24.294 26.297 10.195 1.00 15.18 H new ATOM 0 HD1 TYR B 31 25.117 24.040 9.522 1.00 21.03 H new ATOM 0 HD2 TYR B 31 20.930 24.987 9.566 1.00 22.09 H new ATOM 0 HE1 TYR B 31 24.657 22.049 8.125 1.00 22.51 H new ATOM 0 HE2 TYR B 31 20.468 22.990 8.169 1.00 25.56 H new ATOM 0 HH TYR B 31 21.314 21.220 7.102 1.00 30.46 H new ATOM 1601 N VAL B 32 25.611 24.440 11.835 1.00 14.03 N ATOM 1602 CA VAL B 32 26.589 23.318 11.974 1.00 12.14 C ATOM 1603 C VAL B 32 26.592 22.796 13.412 1.00 12.91 C ATOM 1604 O VAL B 32 26.446 21.614 13.650 1.00 14.47 O ATOM 1605 CB VAL B 32 27.994 23.803 11.599 1.00 12.64 C ATOM 1606 CG1 VAL B 32 28.963 22.626 11.661 1.00 12.95 C ATOM 1607 CG2 VAL B 32 27.979 24.373 10.177 1.00 14.27 C ATOM 0 H VAL B 32 26.003 25.317 11.492 1.00 14.03 H new ATOM 0 HA VAL B 32 26.295 22.510 11.304 1.00 12.14 H new ATOM 0 HB VAL B 32 28.310 24.579 12.296 1.00 12.64 H new ATOM 0 HG11 VAL B 32 29.964 22.965 11.395 1.00 12.95 H new ATOM 0 HG12 VAL B 32 28.975 22.217 12.671 1.00 12.95 H new ATOM 0 HG13 VAL B 32 28.643 21.854 10.961 1.00 12.95 H new ATOM 0 HG21 VAL B 32 28.979 24.717 9.912 1.00 14.27 H new ATOM 0 HG22 VAL B 32 27.665 23.598 9.478 1.00 14.27 H new ATOM 0 HG23 VAL B 32 27.282 25.210 10.128 1.00 14.27 H new ATOM 1617 N ILE B 33 26.762 23.662 14.372 1.00 13.72 N ATOM 1618 CA ILE B 33 26.778 23.216 15.794 1.00 9.81 C ATOM 1619 C ILE B 33 25.625 22.230 16.050 1.00 12.06 C ATOM 1620 O ILE B 33 25.834 21.109 16.470 1.00 13.15 O ATOM 1621 CB ILE B 33 26.651 24.468 16.670 1.00 11.56 C ATOM 1622 CG1 ILE B 33 28.000 25.207 16.639 1.00 12.90 C ATOM 1623 CG2 ILE B 33 26.300 24.092 18.110 1.00 12.06 C ATOM 1624 CD1 ILE B 33 27.888 26.597 17.276 1.00 11.54 C ATOM 0 H ILE B 33 26.891 24.664 14.232 1.00 13.72 H new ATOM 0 HA ILE B 33 27.705 22.694 16.032 1.00 9.81 H new ATOM 0 HB ILE B 33 25.853 25.104 16.287 1.00 11.56 H new ATOM 0 HG12 ILE B 33 28.751 24.621 17.169 1.00 12.90 H new ATOM 0 HG13 ILE B 33 28.341 25.303 15.608 1.00 12.90 H new ATOM 0 HG21 ILE B 33 26.215 24.997 18.712 1.00 12.06 H new ATOM 0 HG22 ILE B 33 25.351 23.556 18.125 1.00 12.06 H new ATOM 0 HG23 ILE B 33 27.083 23.455 18.521 1.00 12.06 H new ATOM 0 HD11 ILE B 33 28.858 27.094 17.239 1.00 11.54 H new ATOM 0 HD12 ILE B 33 27.155 27.190 16.729 1.00 11.54 H new ATOM 0 HD13 ILE B 33 27.571 26.497 18.314 1.00 11.54 H new ATOM 1636 N LEU B 34 24.422 22.637 15.783 1.00 13.55 N ATOM 1637 CA LEU B 34 23.241 21.738 15.983 1.00 16.27 C ATOM 1638 C LEU B 34 23.456 20.434 15.187 1.00 18.00 C ATOM 1639 O LEU B 34 23.115 19.359 15.640 1.00 20.35 O ATOM 1640 CB LEU B 34 21.986 22.502 15.458 1.00 15.33 C ATOM 1641 CG LEU B 34 20.978 23.039 16.560 1.00 18.88 C ATOM 1642 CD1 LEU B 34 21.445 22.868 18.011 1.00 18.63 C ATOM 1643 CD2 LEU B 34 20.717 24.538 16.328 1.00 18.04 C ATOM 0 H LEU B 34 24.195 23.566 15.429 1.00 13.55 H new ATOM 0 HA LEU B 34 23.109 21.477 17.033 1.00 16.27 H new ATOM 0 HB2 LEU B 34 22.326 23.350 14.863 1.00 15.33 H new ATOM 0 HB3 LEU B 34 21.438 21.840 14.787 1.00 15.33 H new ATOM 0 HG LEU B 34 20.082 22.429 16.443 1.00 18.88 H new ATOM 0 HD11 LEU B 34 20.687 23.266 18.686 1.00 18.63 H new ATOM 0 HD12 LEU B 34 21.599 21.810 18.221 1.00 18.63 H new ATOM 0 HD13 LEU B 34 22.381 23.407 18.158 1.00 18.63 H new ATOM 0 HD21 LEU B 34 20.025 24.908 17.084 1.00 18.04 H new ATOM 0 HD22 LEU B 34 21.657 25.086 16.397 1.00 18.04 H new ATOM 0 HD23 LEU B 34 20.284 24.683 15.338 1.00 18.04 H new ATOM 1655 N LYS B 35 24.011 20.522 14.012 1.00 16.90 N ATOM 1656 CA LYS B 35 24.241 19.289 13.191 1.00 19.51 C ATOM 1657 C LYS B 35 25.088 18.293 13.974 1.00 18.97 C ATOM 1658 O LYS B 35 24.968 17.094 13.812 1.00 18.29 O ATOM 1659 CB LYS B 35 24.969 19.674 11.898 1.00 23.32 C ATOM 1660 CG LYS B 35 24.896 18.516 10.902 1.00 27.46 C ATOM 1661 CD LYS B 35 25.801 18.818 9.706 1.00 30.03 C ATOM 1662 CE LYS B 35 25.861 17.596 8.788 1.00 33.24 C ATOM 1663 NZ LYS B 35 26.918 17.801 7.759 1.00 34.14 N ATOM 0 H LYS B 35 24.318 21.393 13.579 1.00 16.90 H new ATOM 0 HA LYS B 35 23.282 18.830 12.953 1.00 19.51 H new ATOM 0 HB2 LYS B 35 24.517 20.567 11.466 1.00 23.32 H new ATOM 0 HB3 LYS B 35 26.010 19.916 12.113 1.00 23.32 H new ATOM 0 HG2 LYS B 35 25.207 17.588 11.382 1.00 27.46 H new ATOM 0 HG3 LYS B 35 23.868 18.373 10.568 1.00 27.46 H new ATOM 0 HD2 LYS B 35 25.420 19.680 9.157 1.00 30.03 H new ATOM 0 HD3 LYS B 35 26.802 19.076 10.051 1.00 30.03 H new ATOM 0 HE2 LYS B 35 26.074 16.700 9.371 1.00 33.24 H new ATOM 0 HE3 LYS B 35 24.895 17.441 8.307 1.00 33.24 H new ATOM 0 HZ1 LYS B 35 26.960 16.971 7.134 1.00 34.14 H new ATOM 0 HZ2 LYS B 35 26.695 18.647 7.196 1.00 34.14 H new ATOM 0 HZ3 LYS B 35 27.838 17.929 8.227 1.00 34.14 H new ATOM 1677 N ASP B 36 25.951 18.777 14.813 1.00 17.40 N ATOM 1678 CA ASP B 36 26.822 17.869 15.605 1.00 17.99 C ATOM 1679 C ASP B 36 26.119 17.450 16.896 1.00 20.53 C ATOM 1680 O ASP B 36 26.289 16.350 17.382 1.00 21.50 O ATOM 1681 CB ASP B 36 28.104 18.618 15.939 1.00 17.75 C ATOM 1682 CG ASP B 36 28.577 19.363 14.688 1.00 19.30 C ATOM 1683 OD1 ASP B 36 28.738 18.719 13.665 1.00 17.31 O ATOM 1684 OD2 ASP B 36 28.771 20.564 14.776 1.00 18.21 O ATOM 0 H ASP B 36 26.094 19.772 14.988 1.00 17.40 H new ATOM 0 HA ASP B 36 27.043 16.970 15.029 1.00 17.99 H new ATOM 0 HB2 ASP B 36 27.930 19.321 16.754 1.00 17.75 H new ATOM 0 HB3 ASP B 36 28.871 17.922 16.277 1.00 17.75 H new ATOM 1689 N ALA B 37 25.346 18.330 17.464 1.00 17.76 N ATOM 1690 CA ALA B 37 24.643 18.009 18.739 1.00 20.31 C ATOM 1691 C ALA B 37 23.281 17.386 18.451 1.00 21.98 C ATOM 1692 O ALA B 37 22.321 17.630 19.156 1.00 20.93 O ATOM 1693 CB ALA B 37 24.451 19.307 19.517 1.00 16.79 C ATOM 0 H ALA B 37 25.168 19.266 17.098 1.00 17.76 H new ATOM 0 HA ALA B 37 25.235 17.298 19.316 1.00 20.31 H new ATOM 0 HB1 ALA B 37 23.938 19.096 20.455 1.00 16.79 H new ATOM 0 HB2 ALA B 37 25.423 19.752 19.727 1.00 16.79 H new ATOM 0 HB3 ALA B 37 23.854 20.001 18.925 1.00 16.79 H new ATOM 1699 N ASP B 38 23.173 16.597 17.427 1.00 22.08 N ATOM 1700 CA ASP B 38 21.854 15.991 17.122 1.00 24.70 C ATOM 1701 C ASP B 38 20.819 17.114 17.024 1.00 27.43 C ATOM 1702 O ASP B 38 19.627 16.890 17.086 1.00 26.89 O ATOM 1703 CB ASP B 38 21.473 15.018 18.248 1.00 26.17 C ATOM 1704 CG ASP B 38 20.477 13.978 17.725 1.00 26.41 C ATOM 1705 OD1 ASP B 38 20.862 13.195 16.871 1.00 30.65 O ATOM 1706 OD2 ASP B 38 19.347 13.983 18.186 1.00 29.79 O ATOM 0 H ASP B 38 23.932 16.346 16.793 1.00 22.08 H new ATOM 0 HA ASP B 38 21.892 15.443 16.180 1.00 24.70 H new ATOM 0 HB2 ASP B 38 22.365 14.521 18.628 1.00 26.17 H new ATOM 0 HB3 ASP B 38 21.035 15.567 19.082 1.00 26.17 H new ATOM 1711 N ALA B 39 21.287 18.325 16.879 1.00 25.83 N ATOM 1712 CA ALA B 39 20.375 19.493 16.779 1.00 28.40 C ATOM 1713 C ALA B 39 19.702 19.747 18.132 1.00 30.32 C ATOM 1714 O ALA B 39 18.765 20.514 18.234 1.00 32.55 O ATOM 1715 CB ALA B 39 19.324 19.232 15.698 1.00 28.82 C ATOM 0 H ALA B 39 22.280 18.554 16.825 1.00 25.83 H new ATOM 0 HA ALA B 39 20.948 20.379 16.506 1.00 28.40 H new ATOM 0 HB1 ALA B 39 18.656 20.090 15.626 1.00 28.82 H new ATOM 0 HB2 ALA B 39 19.819 19.076 14.739 1.00 28.82 H new ATOM 0 HB3 ALA B 39 18.748 18.344 15.958 1.00 28.82 H new ATOM 1721 N ASN B 40 20.181 19.121 19.176 1.00 29.50 N ATOM 1722 CA ASN B 40 19.578 19.343 20.524 1.00 32.01 C ATOM 1723 C ASN B 40 20.254 20.553 21.173 1.00 32.47 C ATOM 1724 O ASN B 40 21.366 20.472 21.656 1.00 29.40 O ATOM 1725 CB ASN B 40 19.791 18.103 21.397 1.00 33.06 C ATOM 1726 CG ASN B 40 18.808 17.007 20.982 1.00 33.55 C ATOM 1727 OD1 ASN B 40 18.497 16.862 19.817 1.00 35.11 O ATOM 1728 ND2 ASN B 40 18.300 16.224 21.895 1.00 33.85 N ATOM 0 H ASN B 40 20.963 18.466 19.153 1.00 29.50 H new ATOM 0 HA ASN B 40 18.508 19.525 20.425 1.00 32.01 H new ATOM 0 HB2 ASN B 40 20.815 17.745 21.294 1.00 33.06 H new ATOM 0 HB3 ASN B 40 19.646 18.356 22.447 1.00 33.06 H new ATOM 0 HD21 ASN B 40 17.642 15.491 21.630 1.00 33.85 H new ATOM 0 HD22 ASN B 40 18.561 16.345 22.874 1.00 33.85 H new ATOM 1735 N ILE B 41 19.592 21.676 21.177 1.00 33.58 N ATOM 1736 CA ILE B 41 20.185 22.906 21.779 1.00 35.14 C ATOM 1737 C ILE B 41 20.842 22.579 23.121 1.00 34.57 C ATOM 1738 O ILE B 41 22.022 22.799 23.308 1.00 33.97 O ATOM 1739 CB ILE B 41 19.072 23.945 21.975 1.00 38.72 C ATOM 1740 CG1 ILE B 41 18.630 24.418 20.576 1.00 39.13 C ATOM 1741 CG2 ILE B 41 19.568 25.136 22.856 1.00 40.27 C ATOM 1742 CD1 ILE B 41 17.568 25.516 20.676 1.00 40.55 C ATOM 0 H ILE B 41 18.658 21.797 20.786 1.00 33.58 H new ATOM 0 HA ILE B 41 20.951 23.305 21.114 1.00 35.14 H new ATOM 0 HB ILE B 41 18.226 23.506 22.503 1.00 38.72 H new ATOM 0 HG12 ILE B 41 19.493 24.792 20.025 1.00 39.13 H new ATOM 0 HG13 ILE B 41 18.233 23.574 20.012 1.00 39.13 H new ATOM 0 HG21 ILE B 41 18.761 25.858 22.980 1.00 40.27 H new ATOM 0 HG22 ILE B 41 19.874 24.763 23.833 1.00 40.27 H new ATOM 0 HG23 ILE B 41 20.416 25.619 22.370 1.00 40.27 H new ATOM 0 HD11 ILE B 41 17.275 25.831 19.675 1.00 40.55 H new ATOM 0 HD12 ILE B 41 16.696 25.132 21.206 1.00 40.55 H new ATOM 0 HD13 ILE B 41 17.976 26.368 21.219 1.00 40.55 H new ATOM 1754 N GLU B 42 20.094 22.067 24.058 1.00 35.46 N ATOM 1755 CA GLU B 42 20.687 21.740 25.387 1.00 34.62 C ATOM 1756 C GLU B 42 22.010 20.995 25.193 1.00 31.10 C ATOM 1757 O GLU B 42 22.961 21.200 25.921 1.00 29.48 O ATOM 1758 CB GLU B 42 19.716 20.860 26.175 1.00 40.18 C ATOM 1759 CG GLU B 42 18.374 21.582 26.323 1.00 46.15 C ATOM 1760 CD GLU B 42 17.385 20.676 27.058 1.00 50.80 C ATOM 1761 OE1 GLU B 42 17.821 19.931 27.919 1.00 52.61 O ATOM 1762 OE2 GLU B 42 16.207 20.743 26.747 1.00 53.92 O ATOM 0 H GLU B 42 19.100 21.861 23.963 1.00 35.46 H new ATOM 0 HA GLU B 42 20.871 22.663 25.937 1.00 34.62 H new ATOM 0 HB2 GLU B 42 19.574 19.908 25.663 1.00 40.18 H new ATOM 0 HB3 GLU B 42 20.129 20.634 27.158 1.00 40.18 H new ATOM 0 HG2 GLU B 42 18.509 22.513 26.874 1.00 46.15 H new ATOM 0 HG3 GLU B 42 17.981 21.846 25.341 1.00 46.15 H new ATOM 1769 N GLU B 43 22.080 20.138 24.212 1.00 26.75 N ATOM 1770 CA GLU B 43 23.344 19.389 23.965 1.00 25.31 C ATOM 1771 C GLU B 43 24.279 20.255 23.119 1.00 22.10 C ATOM 1772 O GLU B 43 25.486 20.178 23.231 1.00 21.22 O ATOM 1773 CB GLU B 43 23.032 18.086 23.218 1.00 24.85 C ATOM 1774 CG GLU B 43 24.202 17.110 23.368 1.00 27.31 C ATOM 1775 CD GLU B 43 24.217 16.545 24.789 1.00 29.91 C ATOM 1776 OE1 GLU B 43 23.219 15.967 25.186 1.00 28.72 O ATOM 1777 OE2 GLU B 43 25.226 16.700 25.457 1.00 30.00 O ATOM 0 H GLU B 43 21.316 19.924 23.571 1.00 26.75 H new ATOM 0 HA GLU B 43 23.823 19.151 24.915 1.00 25.31 H new ATOM 0 HB2 GLU B 43 22.120 17.639 23.614 1.00 24.85 H new ATOM 0 HB3 GLU B 43 22.853 18.295 22.163 1.00 24.85 H new ATOM 0 HG2 GLU B 43 24.109 16.300 22.644 1.00 27.31 H new ATOM 0 HG3 GLU B 43 25.143 17.619 23.158 1.00 27.31 H new ATOM 1784 N ALA B 44 23.727 21.084 22.271 1.00 21.46 N ATOM 1785 CA ALA B 44 24.583 21.956 21.419 1.00 22.00 C ATOM 1786 C ALA B 44 25.096 23.130 22.260 1.00 21.74 C ATOM 1787 O ALA B 44 26.234 23.536 22.146 1.00 19.07 O ATOM 1788 CB ALA B 44 23.765 22.455 20.206 1.00 22.06 C ATOM 0 H ALA B 44 22.722 21.193 22.133 1.00 21.46 H new ATOM 0 HA ALA B 44 25.440 21.395 21.045 1.00 22.00 H new ATOM 0 HB1 ALA B 44 24.391 23.093 19.583 1.00 22.06 H new ATOM 0 HB2 ALA B 44 23.422 21.601 19.622 1.00 22.06 H new ATOM 0 HB3 ALA B 44 22.904 23.023 20.557 1.00 22.06 H new ATOM 1794 N SER B 45 24.268 23.668 23.106 1.00 21.72 N ATOM 1795 CA SER B 45 24.713 24.806 23.956 1.00 24.00 C ATOM 1796 C SER B 45 25.901 24.361 24.809 1.00 24.30 C ATOM 1797 O SER B 45 26.898 25.048 24.910 1.00 23.27 O ATOM 1798 CB SER B 45 23.563 25.235 24.866 1.00 25.03 C ATOM 1799 OG SER B 45 23.549 24.410 26.023 1.00 28.51 O ATOM 0 H SER B 45 23.303 23.371 23.247 1.00 21.72 H new ATOM 0 HA SER B 45 25.010 25.644 23.326 1.00 24.00 H new ATOM 0 HB2 SER B 45 23.680 26.280 25.152 1.00 25.03 H new ATOM 0 HB3 SER B 45 22.614 25.154 24.336 1.00 25.03 H new ATOM 0 HG SER B 45 22.814 24.683 26.610 1.00 28.51 H new ATOM 1805 N ARG B 46 25.804 23.211 25.422 1.00 26.45 N ATOM 1806 CA ARG B 46 26.929 22.716 26.267 1.00 27.79 C ATOM 1807 C ARG B 46 28.243 22.851 25.494 1.00 26.86 C ATOM 1808 O ARG B 46 29.262 23.219 26.043 1.00 25.99 O ATOM 1809 CB ARG B 46 26.687 21.246 26.631 1.00 31.64 C ATOM 1810 CG ARG B 46 25.649 21.160 27.756 1.00 39.02 C ATOM 1811 CD ARG B 46 25.127 19.724 27.868 1.00 43.92 C ATOM 1812 NE ARG B 46 26.234 18.768 27.585 1.00 48.12 N ATOM 1813 CZ ARG B 46 26.107 17.510 27.908 1.00 50.42 C ATOM 1814 NH1 ARG B 46 25.009 17.089 28.472 1.00 52.31 N ATOM 1815 NH2 ARG B 46 27.078 16.672 27.664 1.00 52.39 N ATOM 0 H ARG B 46 24.994 22.593 25.374 1.00 26.45 H new ATOM 0 HA ARG B 46 26.988 23.306 27.181 1.00 27.79 H new ATOM 0 HB2 ARG B 46 26.337 20.697 25.757 1.00 31.64 H new ATOM 0 HB3 ARG B 46 27.621 20.781 26.947 1.00 31.64 H new ATOM 0 HG2 ARG B 46 26.096 21.469 28.701 1.00 39.02 H new ATOM 0 HG3 ARG B 46 24.823 21.843 27.555 1.00 39.02 H new ATOM 0 HD2 ARG B 46 24.727 19.548 28.867 1.00 43.92 H new ATOM 0 HD3 ARG B 46 24.309 19.568 27.165 1.00 43.92 H new ATOM 0 HE ARG B 46 27.091 19.096 27.139 1.00 48.12 H new ATOM 0 HH11 ARG B 46 24.249 17.743 28.661 1.00 52.31 H new ATOM 0 HH12 ARG B 46 24.910 16.106 28.724 1.00 52.31 H new ATOM 0 HH21 ARG B 46 27.936 17.001 27.221 1.00 52.39 H new ATOM 0 HH22 ARG B 46 26.979 15.689 27.917 1.00 52.39 H new ATOM 1829 N ARG B 47 28.226 22.569 24.220 1.00 22.86 N ATOM 1830 CA ARG B 47 29.475 22.697 23.415 1.00 20.88 C ATOM 1831 C ARG B 47 29.869 24.168 23.358 1.00 18.23 C ATOM 1832 O ARG B 47 30.922 24.562 23.819 1.00 21.17 O ATOM 1833 CB ARG B 47 29.228 22.183 21.995 1.00 19.97 C ATOM 1834 CG ARG B 47 28.728 20.734 22.047 1.00 21.43 C ATOM 1835 CD ARG B 47 28.176 20.323 20.674 1.00 22.98 C ATOM 1836 NE ARG B 47 27.292 19.118 20.820 1.00 20.54 N ATOM 1837 CZ ARG B 47 27.714 18.023 21.396 1.00 24.59 C ATOM 1838 NH1 ARG B 47 28.974 17.873 21.698 1.00 24.12 N ATOM 1839 NH2 ARG B 47 26.877 17.046 21.618 1.00 16.51 N ATOM 0 H ARG B 47 27.404 22.256 23.703 1.00 22.86 H new ATOM 0 HA ARG B 47 30.272 22.112 23.873 1.00 20.88 H new ATOM 0 HB2 ARG B 47 28.494 22.813 21.493 1.00 19.97 H new ATOM 0 HB3 ARG B 47 30.148 22.239 21.413 1.00 19.97 H new ATOM 0 HG2 ARG B 47 29.542 20.069 22.335 1.00 21.43 H new ATOM 0 HG3 ARG B 47 27.952 20.635 22.806 1.00 21.43 H new ATOM 0 HD2 ARG B 47 27.613 21.148 20.237 1.00 22.98 H new ATOM 0 HD3 ARG B 47 28.998 20.102 19.993 1.00 22.98 H new ATOM 0 HE ARG B 47 26.338 19.155 20.461 1.00 20.54 H new ATOM 0 HH11 ARG B 47 29.641 18.614 21.485 1.00 24.12 H new ATOM 0 HH12 ARG B 47 29.292 17.014 22.147 1.00 24.12 H new ATOM 0 HH21 ARG B 47 25.899 17.139 21.342 1.00 16.51 H new ATOM 0 HH22 ARG B 47 27.201 16.189 22.067 1.00 16.51 H new ATOM 1853 N ILE B 48 29.013 24.989 22.816 1.00 16.11 N ATOM 1854 CA ILE B 48 29.306 26.449 22.747 1.00 18.86 C ATOM 1855 C ILE B 48 29.781 26.903 24.117 1.00 23.26 C ATOM 1856 O ILE B 48 30.851 27.454 24.275 1.00 21.90 O ATOM 1857 CB ILE B 48 28.028 27.189 22.373 1.00 18.65 C ATOM 1858 CG1 ILE B 48 27.459 26.548 21.110 1.00 19.26 C ATOM 1859 CG2 ILE B 48 28.351 28.660 22.115 1.00 21.02 C ATOM 1860 CD1 ILE B 48 26.269 27.361 20.590 1.00 15.25 C ATOM 0 H ILE B 48 28.117 24.710 22.415 1.00 16.11 H new ATOM 0 HA ILE B 48 30.073 26.656 22.001 1.00 18.86 H new ATOM 0 HB ILE B 48 27.299 27.128 23.181 1.00 18.65 H new ATOM 0 HG12 ILE B 48 28.232 26.491 20.343 1.00 19.26 H new ATOM 0 HG13 ILE B 48 27.145 25.526 21.323 1.00 19.26 H new ATOM 0 HG21 ILE B 48 27.438 29.191 21.847 1.00 21.02 H new ATOM 0 HG22 ILE B 48 28.777 29.102 23.015 1.00 21.02 H new ATOM 0 HG23 ILE B 48 29.069 28.737 21.298 1.00 21.02 H new ATOM 0 HD11 ILE B 48 25.874 26.892 19.689 1.00 15.25 H new ATOM 0 HD12 ILE B 48 25.491 27.395 21.353 1.00 15.25 H new ATOM 0 HD13 ILE B 48 26.595 28.375 20.358 1.00 15.25 H new ATOM 1872 N GLU B 49 28.987 26.642 25.109 1.00 24.41 N ATOM 1873 CA GLU B 49 29.357 27.017 26.499 1.00 29.72 C ATOM 1874 C GLU B 49 30.805 26.638 26.763 1.00 31.01 C ATOM 1875 O GLU B 49 31.645 27.477 27.021 1.00 30.32 O ATOM 1876 CB GLU B 49 28.502 26.202 27.450 1.00 30.86 C ATOM 1877 CG GLU B 49 27.096 26.800 27.559 1.00 35.37 C ATOM 1878 CD GLU B 49 26.371 26.180 28.755 1.00 37.77 C ATOM 1879 OE1 GLU B 49 26.638 26.601 29.869 1.00 38.92 O ATOM 1880 OE2 GLU B 49 25.560 25.295 28.537 1.00 38.78 O ATOM 0 H GLU B 49 28.083 26.178 25.017 1.00 24.41 H new ATOM 0 HA GLU B 49 29.213 28.088 26.637 1.00 29.72 H new ATOM 0 HB2 GLU B 49 28.439 25.172 27.099 1.00 30.86 H new ATOM 0 HB3 GLU B 49 28.969 26.175 28.435 1.00 30.86 H new ATOM 0 HG2 GLU B 49 27.157 27.882 27.678 1.00 35.37 H new ATOM 0 HG3 GLU B 49 26.537 26.611 26.643 1.00 35.37 H new ATOM 1887 N GLU B 50 31.102 25.366 26.684 1.00 31.22 N ATOM 1888 CA GLU B 50 32.497 24.920 26.912 1.00 30.52 C ATOM 1889 C GLU B 50 33.364 25.789 26.029 1.00 30.97 C ATOM 1890 O GLU B 50 34.361 26.305 26.438 1.00 30.11 O ATOM 1891 CB GLU B 50 32.625 23.432 26.525 1.00 33.65 C ATOM 1892 CG GLU B 50 33.737 22.757 27.338 1.00 34.45 C ATOM 1893 CD GLU B 50 33.715 21.250 27.073 1.00 36.26 C ATOM 1894 OE1 GLU B 50 33.848 20.869 25.921 1.00 35.94 O ATOM 1895 OE2 GLU B 50 33.566 20.503 28.026 1.00 36.07 O ATOM 0 H GLU B 50 30.436 24.623 26.472 1.00 31.22 H new ATOM 0 HA GLU B 50 32.798 25.014 27.956 1.00 30.52 H new ATOM 0 HB2 GLU B 50 31.678 22.922 26.701 1.00 33.65 H new ATOM 0 HB3 GLU B 50 32.841 23.345 25.460 1.00 33.65 H new ATOM 0 HG2 GLU B 50 34.707 23.172 27.063 1.00 34.45 H new ATOM 0 HG3 GLU B 50 33.596 22.953 28.401 1.00 34.45 H new ATOM 1902 N GLY B 51 32.923 25.987 24.831 1.00 0.00 N ATOM 1903 CA GLY B 51 33.657 26.853 23.877 1.00 0.00 C ATOM 1904 C GLY B 51 33.879 28.245 24.487 1.00 0.00 C ATOM 1905 O GLY B 51 34.987 28.703 24.670 1.00 0.00 O ATOM 0 H GLY B 51 32.065 25.577 24.461 1.00 0.00 H new ATOM 0 HA2 GLY B 51 34.617 26.400 23.628 1.00 0.00 H new ATOM 0 HA3 GLY B 51 33.095 26.941 22.947 1.00 0.00 H new ATOM 1909 N GLN B 52 32.813 28.934 24.783 1.00 30.19 N ATOM 1910 CA GLN B 52 32.940 30.307 25.363 1.00 33.26 C ATOM 1911 C GLN B 52 33.937 30.254 26.507 1.00 34.21 C ATOM 1912 O GLN B 52 34.877 31.019 26.580 1.00 33.27 O ATOM 1913 CB GLN B 52 31.587 30.767 25.917 1.00 34.36 C ATOM 1914 CG GLN B 52 30.479 30.593 24.859 1.00 37.06 C ATOM 1915 CD GLN B 52 30.316 31.872 24.034 1.00 39.18 C ATOM 1916 OE1 GLN B 52 31.282 32.432 23.555 1.00 39.82 O ATOM 1917 NE2 GLN B 52 29.119 32.356 23.851 1.00 40.80 N ATOM 0 H GLN B 52 31.856 28.608 24.649 1.00 30.19 H new ATOM 0 HA GLN B 52 33.271 31.001 24.590 1.00 33.26 H new ATOM 0 HB2 GLN B 52 31.339 30.192 26.809 1.00 34.36 H new ATOM 0 HB3 GLN B 52 31.648 31.813 26.219 1.00 34.36 H new ATOM 0 HG2 GLN B 52 30.724 29.759 24.202 1.00 37.06 H new ATOM 0 HG3 GLN B 52 29.537 30.347 25.349 1.00 37.06 H new ATOM 0 HE21 GLN B 52 28.310 31.883 24.255 1.00 40.80 H new ATOM 0 HE22 GLN B 52 28.991 33.207 23.304 1.00 40.80 H new ATOM 1926 N TYR B 53 33.729 29.331 27.391 1.00 35.76 N ATOM 1927 CA TYR B 53 34.644 29.171 28.543 1.00 38.60 C ATOM 1928 C TYR B 53 36.003 28.728 28.009 1.00 39.68 C ATOM 1929 O TYR B 53 37.038 29.235 28.385 1.00 39.52 O ATOM 1930 CB TYR B 53 34.068 28.092 29.475 1.00 40.83 C ATOM 1931 CG TYR B 53 35.165 27.489 30.319 1.00 43.21 C ATOM 1932 CD1 TYR B 53 35.965 26.478 29.793 1.00 44.13 C ATOM 1933 CD2 TYR B 53 35.379 27.948 31.613 1.00 43.89 C ATOM 1934 CE1 TYR B 53 36.985 25.919 30.561 1.00 47.20 C ATOM 1935 CE2 TYR B 53 36.401 27.392 32.394 1.00 46.12 C ATOM 1936 CZ TYR B 53 37.206 26.374 31.866 1.00 46.20 C ATOM 1937 OH TYR B 53 38.214 25.822 32.629 1.00 48.95 O ATOM 0 H TYR B 53 32.952 28.670 27.364 1.00 35.76 H new ATOM 0 HA TYR B 53 34.752 30.105 29.095 1.00 38.60 H new ATOM 0 HB2 TYR B 53 33.303 28.528 30.118 1.00 40.83 H new ATOM 0 HB3 TYR B 53 33.584 27.313 28.886 1.00 40.83 H new ATOM 0 HD1 TYR B 53 35.795 26.126 28.786 1.00 44.13 H new ATOM 0 HD2 TYR B 53 34.757 28.733 32.017 1.00 43.89 H new ATOM 0 HE1 TYR B 53 37.604 25.136 30.150 1.00 47.20 H new ATOM 0 HE2 TYR B 53 36.568 27.747 33.400 1.00 46.12 H new ATOM 0 HH TYR B 53 38.834 26.527 32.911 1.00 48.95 H new ATOM 1947 N VAL B 54 35.985 27.775 27.133 1.00 39.35 N ATOM 1948 CA VAL B 54 37.241 27.252 26.546 1.00 40.00 C ATOM 1949 C VAL B 54 38.055 28.435 26.011 1.00 40.47 C ATOM 1950 O VAL B 54 39.129 28.739 26.492 1.00 39.23 O ATOM 1951 CB VAL B 54 36.832 26.312 25.409 1.00 40.33 C ATOM 1952 CG1 VAL B 54 37.923 26.172 24.378 1.00 40.58 C ATOM 1953 CG2 VAL B 54 36.422 24.910 25.938 1.00 39.92 C ATOM 0 H VAL B 54 35.136 27.326 26.791 1.00 39.35 H new ATOM 0 HA VAL B 54 37.852 26.718 27.274 1.00 40.00 H new ATOM 0 HB VAL B 54 35.964 26.767 24.932 1.00 40.33 H new ATOM 0 HG11 VAL B 54 37.593 25.497 23.588 1.00 40.58 H new ATOM 0 HG12 VAL B 54 38.147 27.149 23.950 1.00 40.58 H new ATOM 0 HG13 VAL B 54 38.819 25.769 24.849 1.00 40.58 H new ATOM 0 HG21 VAL B 54 36.139 24.273 25.100 1.00 39.92 H new ATOM 0 HG22 VAL B 54 37.262 24.461 26.467 1.00 39.92 H new ATOM 0 HG23 VAL B 54 35.577 25.011 26.619 1.00 39.92 H new ATOM 1963 N VAL B 55 37.537 29.102 25.018 1.00 40.13 N ATOM 1964 CA VAL B 55 38.257 30.269 24.441 1.00 42.29 C ATOM 1965 C VAL B 55 38.574 31.252 25.565 1.00 43.82 C ATOM 1966 O VAL B 55 39.715 31.601 25.795 1.00 43.78 O ATOM 1967 CB VAL B 55 37.361 30.945 23.394 1.00 41.62 C ATOM 1968 CG1 VAL B 55 38.120 32.083 22.707 1.00 42.45 C ATOM 1969 CG2 VAL B 55 36.944 29.912 22.345 1.00 41.12 C ATOM 0 H VAL B 55 36.641 28.887 24.580 1.00 40.13 H new ATOM 0 HA VAL B 55 39.183 29.946 23.965 1.00 42.29 H new ATOM 0 HB VAL B 55 36.479 31.352 23.888 1.00 41.62 H new ATOM 0 HG11 VAL B 55 37.475 32.555 21.966 1.00 42.45 H new ATOM 0 HG12 VAL B 55 38.420 32.821 23.451 1.00 42.45 H new ATOM 0 HG13 VAL B 55 39.006 31.684 22.214 1.00 42.45 H new ATOM 0 HG21 VAL B 55 36.307 30.388 21.599 1.00 41.12 H new ATOM 0 HG22 VAL B 55 37.832 29.508 21.859 1.00 41.12 H new ATOM 0 HG23 VAL B 55 36.395 29.104 22.828 1.00 41.12 H new ATOM 1979 N ASN B 56 37.573 31.694 26.275 1.00 44.48 N ATOM 1980 CA ASN B 56 37.821 32.647 27.391 1.00 47.06 C ATOM 1981 C ASN B 56 38.930 32.084 28.279 1.00 47.69 C ATOM 1982 O ASN B 56 39.900 32.750 28.574 1.00 47.82 O ATOM 1983 CB ASN B 56 36.539 32.822 28.211 1.00 46.90 C ATOM 1984 CG ASN B 56 35.456 33.458 27.338 1.00 47.81 C ATOM 1985 OD1 ASN B 56 35.619 33.580 26.140 1.00 48.43 O ATOM 1986 ND2 ASN B 56 34.349 33.873 27.891 1.00 47.03 N ATOM 0 H ASN B 56 36.597 31.437 26.131 1.00 44.48 H new ATOM 0 HA ASN B 56 38.122 33.616 26.994 1.00 47.06 H new ATOM 0 HB2 ASN B 56 36.199 31.856 28.584 1.00 46.90 H new ATOM 0 HB3 ASN B 56 36.734 33.449 29.081 1.00 46.90 H new ATOM 0 HD21 ASN B 56 33.621 34.299 27.318 1.00 47.03 H new ATOM 0 HD22 ASN B 56 34.212 33.771 28.897 1.00 47.03 H new ATOM 1993 N GLU B 57 38.801 30.853 28.694 1.00 49.57 N ATOM 1994 CA GLU B 57 39.855 30.241 29.550 1.00 51.35 C ATOM 1995 C GLU B 57 41.215 30.419 28.877 1.00 52.18 C ATOM 1996 O GLU B 57 42.153 30.909 29.473 1.00 52.13 O ATOM 1997 CB GLU B 57 39.569 28.748 29.729 1.00 52.66 C ATOM 1998 CG GLU B 57 40.517 28.164 30.779 1.00 53.83 C ATOM 1999 CD GLU B 57 40.138 28.698 32.161 1.00 55.85 C ATOM 2000 OE1 GLU B 57 38.991 28.533 32.543 1.00 56.34 O ATOM 2001 OE2 GLU B 57 41.000 29.264 32.813 1.00 57.10 O ATOM 0 H GLU B 57 38.011 30.245 28.477 1.00 49.57 H new ATOM 0 HA GLU B 57 39.860 30.727 30.525 1.00 51.35 H new ATOM 0 HB2 GLU B 57 38.534 28.600 30.037 1.00 52.66 H new ATOM 0 HB3 GLU B 57 39.696 28.227 28.780 1.00 52.66 H new ATOM 0 HG2 GLU B 57 40.461 27.075 30.770 1.00 53.83 H new ATOM 0 HG3 GLU B 57 41.547 28.432 30.544 1.00 53.83 H new