USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 823 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 -110:sc= -2.18! USER MOD Set 1.2: B 52 GLN : amide:sc= -4.79! C(o=-7!,f=-6.5!) USER MOD Set 2.1: A 22 TYR OH : rot -90:sc= -1.59! USER MOD Set 2.2: A 52 GLN : amide:sc= -3.21! C(o=-4.8!,f=-4.5!) USER MOD Set 3.1: A 13 CYS SG : rot -80:sc= -1.64! USER MOD Set 3.2: A 27 MET CE :methyl -110:sc= 0 (180deg=-1.09) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -5.78! C(o=-5.8!,f=-9.1!) USER MOD Single : A 15 LYS NZ :NH3+ -130:sc= -0.177 (180deg=-1.19) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 164:sc= -0.289 (180deg=-0.734) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 158:sc= -0.0442 (180deg=-0.586) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.0273 F(o=-2,f=-0.027) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.322 USER MOD Single : A 56 ASN : amide:sc= -0.457 K(o=-0.46,f=-2.5!) USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 CYS SG : rot 75:sc= -0.638 USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : B 15 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.315) USER MOD Single : B 19 LYS NZ :NH3+ -156:sc= -0.0399 (180deg=-0.504) USER MOD Single : B 27 MET CE :methyl -132:sc= -0.269 (180deg=-3.28!) USER MOD Single : B 30 MET CE :methyl -159:sc= -1.08 (180deg=-2.75) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 ASN :FLIP amide:sc= -0.252 F(o=-1.2,f=-0.25) USER MOD Single : B 45 SER OG : rot 180:sc= 0.594 USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 56 ASN :FLIP amide:sc= -0.296 F(o=-2!,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 106 N PHE A 9 45.330 22.927 20.448 1.00 0.27 N ATOM 107 CA PHE A 9 43.875 22.979 20.124 1.00 0.25 C ATOM 108 C PHE A 9 43.520 24.383 19.627 1.00 0.25 C ATOM 109 O PHE A 9 42.844 24.544 18.630 1.00 0.36 O ATOM 110 CB PHE A 9 43.069 22.648 21.388 1.00 0.23 C ATOM 111 CG PHE A 9 41.683 22.179 21.012 1.00 0.19 C ATOM 112 CD1 PHE A 9 40.651 23.108 20.842 1.00 0.20 C ATOM 113 CD2 PHE A 9 41.431 20.812 20.839 1.00 0.19 C ATOM 114 CE1 PHE A 9 39.367 22.672 20.497 1.00 0.21 C ATOM 115 CE2 PHE A 9 40.146 20.376 20.494 1.00 0.19 C ATOM 116 CZ PHE A 9 39.114 21.307 20.323 1.00 0.20 C ATOM 0 HA PHE A 9 43.637 22.254 19.345 1.00 0.25 H new ATOM 0 HB2 PHE A 9 43.580 21.875 21.962 1.00 0.23 H new ATOM 0 HB3 PHE A 9 43.003 23.528 22.027 1.00 0.23 H new ATOM 0 HD1 PHE A 9 40.845 24.162 20.977 1.00 0.20 H new ATOM 0 HD2 PHE A 9 42.227 20.095 20.972 1.00 0.19 H new ATOM 0 HE1 PHE A 9 38.571 23.390 20.365 1.00 0.21 H new ATOM 0 HE2 PHE A 9 39.951 19.322 20.360 1.00 0.19 H new ATOM 0 HZ PHE A 9 38.123 20.971 20.057 1.00 0.20 H new ATOM 126 N LEU A 10 43.977 25.400 20.304 1.00 0.21 N ATOM 127 CA LEU A 10 43.668 26.783 19.851 1.00 0.21 C ATOM 128 C LEU A 10 44.264 26.989 18.458 1.00 0.22 C ATOM 129 O LEU A 10 43.732 27.718 17.645 1.00 0.27 O ATOM 130 CB LEU A 10 44.280 27.800 20.814 1.00 0.24 C ATOM 131 CG LEU A 10 43.817 27.517 22.245 1.00 0.27 C ATOM 132 CD1 LEU A 10 44.599 28.416 23.196 1.00 0.31 C ATOM 133 CD2 LEU A 10 42.316 27.812 22.390 1.00 0.28 C ATOM 0 H LEU A 10 44.548 25.333 21.147 1.00 0.21 H new ATOM 0 HA LEU A 10 42.587 26.923 19.826 1.00 0.21 H new ATOM 0 HB2 LEU A 10 45.368 27.754 20.760 1.00 0.24 H new ATOM 0 HB3 LEU A 10 43.989 28.809 20.522 1.00 0.24 H new ATOM 0 HG LEU A 10 43.992 26.467 22.481 1.00 0.27 H new ATOM 0 HD11 LEU A 10 44.280 28.226 24.221 1.00 0.31 H new ATOM 0 HD12 LEU A 10 45.664 28.205 23.102 1.00 0.31 H new ATOM 0 HD13 LEU A 10 44.412 29.460 22.946 1.00 0.31 H new ATOM 0 HD21 LEU A 10 42.002 27.606 23.413 1.00 0.28 H new ATOM 0 HD22 LEU A 10 42.127 28.860 22.156 1.00 0.28 H new ATOM 0 HD23 LEU A 10 41.753 27.180 21.703 1.00 0.28 H new ATOM 145 N ASP A 11 45.368 26.348 18.177 1.00 0.21 N ATOM 146 CA ASP A 11 45.999 26.503 16.837 1.00 0.23 C ATOM 147 C ASP A 11 45.001 26.073 15.763 1.00 0.20 C ATOM 148 O ASP A 11 44.649 26.839 14.888 1.00 0.29 O ATOM 149 CB ASP A 11 47.257 25.628 16.752 1.00 0.27 C ATOM 150 CG ASP A 11 48.128 26.089 15.581 1.00 1.08 C ATOM 151 OD1 ASP A 11 47.744 27.039 14.919 1.00 1.64 O ATOM 152 OD2 ASP A 11 49.166 25.484 15.367 1.00 1.92 O ATOM 0 H ASP A 11 45.858 25.725 18.818 1.00 0.21 H new ATOM 0 HA ASP A 11 46.279 27.545 16.683 1.00 0.23 H new ATOM 0 HB2 ASP A 11 47.820 25.692 17.683 1.00 0.27 H new ATOM 0 HB3 ASP A 11 46.977 24.583 16.620 1.00 0.27 H new ATOM 157 N TYR A 12 44.537 24.855 15.824 1.00 0.14 N ATOM 158 CA TYR A 12 43.559 24.389 14.807 1.00 0.12 C ATOM 159 C TYR A 12 42.385 25.362 14.774 1.00 0.11 C ATOM 160 O TYR A 12 42.049 25.919 13.748 1.00 0.15 O ATOM 161 CB TYR A 12 43.052 22.988 15.177 1.00 0.12 C ATOM 162 CG TYR A 12 44.194 21.992 15.106 1.00 0.16 C ATOM 163 CD1 TYR A 12 44.851 21.760 13.889 1.00 0.22 C ATOM 164 CD2 TYR A 12 44.597 21.300 16.256 1.00 0.20 C ATOM 165 CE1 TYR A 12 45.904 20.841 13.824 1.00 0.28 C ATOM 166 CE2 TYR A 12 45.651 20.381 16.190 1.00 0.27 C ATOM 167 CZ TYR A 12 46.305 20.152 14.974 1.00 0.30 C ATOM 168 OH TYR A 12 47.343 19.246 14.908 1.00 0.37 O ATOM 0 H TYR A 12 44.793 24.167 16.532 1.00 0.14 H new ATOM 0 HA TYR A 12 44.037 24.347 13.828 1.00 0.12 H new ATOM 0 HB2 TYR A 12 42.628 22.998 16.181 1.00 0.12 H new ATOM 0 HB3 TYR A 12 42.254 22.689 14.497 1.00 0.12 H new ATOM 0 HD1 TYR A 12 44.544 22.292 13.001 1.00 0.22 H new ATOM 0 HD2 TYR A 12 44.093 21.476 17.195 1.00 0.20 H new ATOM 0 HE1 TYR A 12 46.408 20.663 12.885 1.00 0.28 H new ATOM 0 HE2 TYR A 12 45.960 19.849 17.078 1.00 0.27 H new ATOM 0 HH TYR A 12 47.494 18.857 15.795 1.00 0.37 H new ATOM 178 N CYS A 13 41.770 25.571 15.902 1.00 0.12 N ATOM 179 CA CYS A 13 40.617 26.512 15.986 1.00 0.15 C ATOM 180 C CYS A 13 40.923 27.779 15.184 1.00 0.16 C ATOM 181 O CYS A 13 40.079 28.307 14.489 1.00 0.19 O ATOM 182 CB CYS A 13 40.389 26.877 17.453 1.00 0.19 C ATOM 183 SG CYS A 13 39.190 28.223 17.571 1.00 1.38 S ATOM 0 H CYS A 13 42.020 25.124 16.784 1.00 0.12 H new ATOM 0 HA CYS A 13 39.724 26.040 15.575 1.00 0.15 H new ATOM 0 HB2 CYS A 13 40.028 26.007 18.002 1.00 0.19 H new ATOM 0 HB3 CYS A 13 41.331 27.176 17.913 1.00 0.19 H new ATOM 0 HG CYS A 13 39.780 29.353 17.317 1.00 1.38 H new ATOM 189 N GLN A 14 42.129 28.263 15.273 1.00 0.17 N ATOM 190 CA GLN A 14 42.499 29.488 14.518 1.00 0.21 C ATOM 191 C GLN A 14 42.263 29.251 13.020 1.00 0.21 C ATOM 192 O GLN A 14 41.568 29.998 12.366 1.00 0.28 O ATOM 193 CB GLN A 14 43.982 29.804 14.780 1.00 0.25 C ATOM 194 CG GLN A 14 44.237 31.308 14.642 1.00 0.64 C ATOM 195 CD GLN A 14 43.893 31.762 13.222 1.00 0.78 C ATOM 196 OE1 GLN A 14 42.741 31.983 12.905 1.00 1.68 O ATOM 197 NE2 GLN A 14 44.852 31.914 12.349 1.00 1.31 N ATOM 0 H GLN A 14 42.876 27.861 15.839 1.00 0.17 H new ATOM 0 HA GLN A 14 41.888 30.330 14.842 1.00 0.21 H new ATOM 0 HB2 GLN A 14 44.261 29.471 15.780 1.00 0.25 H new ATOM 0 HB3 GLN A 14 44.608 29.256 14.076 1.00 0.25 H new ATOM 0 HG2 GLN A 14 43.634 31.857 15.366 1.00 0.64 H new ATOM 0 HG3 GLN A 14 45.281 31.531 14.863 1.00 0.64 H new ATOM 0 HE21 GLN A 14 45.819 31.728 12.616 1.00 1.31 H new ATOM 0 HE22 GLN A 14 44.634 32.218 11.400 1.00 1.31 H new ATOM 206 N LYS A 15 42.837 28.217 12.472 1.00 0.20 N ATOM 207 CA LYS A 15 42.643 27.944 11.020 1.00 0.22 C ATOM 208 C LYS A 15 41.145 27.897 10.695 1.00 0.19 C ATOM 209 O LYS A 15 40.672 28.593 9.818 1.00 0.22 O ATOM 210 CB LYS A 15 43.299 26.605 10.661 1.00 0.25 C ATOM 211 CG LYS A 15 44.825 26.778 10.639 1.00 0.57 C ATOM 212 CD LYS A 15 45.507 25.507 10.105 1.00 1.16 C ATOM 213 CE LYS A 15 45.670 24.489 11.234 1.00 1.52 C ATOM 214 NZ LYS A 15 46.542 25.058 12.300 1.00 2.24 N ATOM 0 H LYS A 15 43.431 27.550 12.965 1.00 0.20 H new ATOM 0 HA LYS A 15 43.106 28.740 10.436 1.00 0.22 H new ATOM 0 HB2 LYS A 15 43.018 25.843 11.388 1.00 0.25 H new ATOM 0 HB3 LYS A 15 42.946 26.263 9.688 1.00 0.25 H new ATOM 0 HG2 LYS A 15 45.091 27.630 10.013 1.00 0.57 H new ATOM 0 HG3 LYS A 15 45.186 26.996 11.644 1.00 0.57 H new ATOM 0 HD2 LYS A 15 44.913 25.077 9.299 1.00 1.16 H new ATOM 0 HD3 LYS A 15 46.481 25.756 9.685 1.00 1.16 H new ATOM 0 HE2 LYS A 15 44.695 24.231 11.647 1.00 1.52 H new ATOM 0 HE3 LYS A 15 46.106 23.568 10.847 1.00 1.52 H new ATOM 0 HZ1 LYS A 15 47.290 24.375 12.538 1.00 2.24 H new ATOM 0 HZ2 LYS A 15 46.975 25.941 11.960 1.00 2.24 H new ATOM 0 HZ3 LYS A 15 45.971 25.256 13.147 1.00 2.24 H new ATOM 228 N LEU A 16 40.391 27.092 11.396 1.00 0.15 N ATOM 229 CA LEU A 16 38.922 27.015 11.123 1.00 0.13 C ATOM 230 C LEU A 16 38.358 28.442 11.071 1.00 0.13 C ATOM 231 O LEU A 16 37.343 28.703 10.456 1.00 0.17 O ATOM 232 CB LEU A 16 38.246 26.201 12.259 1.00 0.11 C ATOM 233 CG LEU A 16 37.265 25.153 11.688 1.00 0.14 C ATOM 234 CD1 LEU A 16 38.016 24.118 10.813 1.00 0.26 C ATOM 235 CD2 LEU A 16 36.549 24.450 12.857 1.00 0.17 C ATOM 0 H LEU A 16 40.726 26.485 12.144 1.00 0.15 H new ATOM 0 HA LEU A 16 38.728 26.521 10.171 1.00 0.13 H new ATOM 0 HB2 LEU A 16 39.009 25.701 12.856 1.00 0.11 H new ATOM 0 HB3 LEU A 16 37.712 26.877 12.926 1.00 0.11 H new ATOM 0 HG LEU A 16 36.531 25.653 11.056 1.00 0.14 H new ATOM 0 HD11 LEU A 16 37.306 23.390 10.421 1.00 0.26 H new ATOM 0 HD12 LEU A 16 38.506 24.629 9.984 1.00 0.26 H new ATOM 0 HD13 LEU A 16 38.765 23.606 11.417 1.00 0.26 H new ATOM 0 HD21 LEU A 16 35.854 23.708 12.464 1.00 0.17 H new ATOM 0 HD22 LEU A 16 37.286 23.957 13.491 1.00 0.17 H new ATOM 0 HD23 LEU A 16 36.000 25.187 13.443 1.00 0.17 H new ATOM 247 N LEU A 17 39.017 29.360 11.720 1.00 0.12 N ATOM 248 CA LEU A 17 38.545 30.772 11.729 1.00 0.13 C ATOM 249 C LEU A 17 39.038 31.496 10.467 1.00 0.15 C ATOM 250 O LEU A 17 38.414 32.421 9.987 1.00 0.22 O ATOM 251 CB LEU A 17 39.112 31.463 12.981 1.00 0.12 C ATOM 252 CG LEU A 17 38.261 32.696 13.350 1.00 0.12 C ATOM 253 CD1 LEU A 17 37.074 32.268 14.221 1.00 0.12 C ATOM 254 CD2 LEU A 17 39.109 33.703 14.140 1.00 0.13 C ATOM 0 H LEU A 17 39.872 29.190 12.250 1.00 0.12 H new ATOM 0 HA LEU A 17 37.456 30.802 11.744 1.00 0.13 H new ATOM 0 HB2 LEU A 17 39.127 30.762 13.815 1.00 0.12 H new ATOM 0 HB3 LEU A 17 40.143 31.766 12.801 1.00 0.12 H new ATOM 0 HG LEU A 17 37.901 33.157 12.430 1.00 0.12 H new ATOM 0 HD11 LEU A 17 36.477 33.143 14.478 1.00 0.12 H new ATOM 0 HD12 LEU A 17 36.457 31.557 13.672 1.00 0.12 H new ATOM 0 HD13 LEU A 17 37.443 31.799 15.133 1.00 0.12 H new ATOM 0 HD21 LEU A 17 38.500 34.570 14.396 1.00 0.13 H new ATOM 0 HD22 LEU A 17 39.474 33.234 15.053 1.00 0.13 H new ATOM 0 HD23 LEU A 17 39.956 34.021 13.532 1.00 0.13 H new ATOM 266 N GLU A 18 40.161 31.090 9.940 1.00 0.20 N ATOM 267 CA GLU A 18 40.708 31.761 8.722 1.00 0.25 C ATOM 268 C GLU A 18 39.902 31.361 7.487 1.00 0.21 C ATOM 269 O GLU A 18 39.322 32.190 6.814 1.00 0.25 O ATOM 270 CB GLU A 18 42.162 31.335 8.510 1.00 0.32 C ATOM 271 CG GLU A 18 42.985 31.631 9.766 1.00 1.41 C ATOM 272 CD GLU A 18 43.302 33.127 9.834 1.00 2.13 C ATOM 273 OE1 GLU A 18 42.475 33.864 10.345 1.00 2.62 O ATOM 274 OE2 GLU A 18 44.365 33.508 9.375 1.00 2.77 O ATOM 0 H GLU A 18 40.726 30.321 10.300 1.00 0.20 H new ATOM 0 HA GLU A 18 40.646 32.840 8.866 1.00 0.25 H new ATOM 0 HB2 GLU A 18 42.207 30.271 8.279 1.00 0.32 H new ATOM 0 HB3 GLU A 18 42.584 31.865 7.656 1.00 0.32 H new ATOM 0 HG2 GLU A 18 42.433 31.326 10.655 1.00 1.41 H new ATOM 0 HG3 GLU A 18 43.909 31.054 9.751 1.00 1.41 H new ATOM 281 N LYS A 19 39.880 30.096 7.174 1.00 0.20 N ATOM 282 CA LYS A 19 39.140 29.631 5.977 1.00 0.20 C ATOM 283 C LYS A 19 37.747 30.262 5.937 1.00 0.18 C ATOM 284 O LYS A 19 37.352 30.847 4.947 1.00 0.24 O ATOM 285 CB LYS A 19 39.025 28.109 6.049 1.00 0.22 C ATOM 286 CG LYS A 19 40.345 27.467 5.612 1.00 0.30 C ATOM 287 CD LYS A 19 40.195 25.946 5.620 1.00 0.37 C ATOM 288 CE LYS A 19 41.544 25.297 5.307 1.00 0.92 C ATOM 289 NZ LYS A 19 41.366 23.825 5.167 1.00 1.77 N ATOM 0 H LYS A 19 40.348 29.361 7.703 1.00 0.20 H new ATOM 0 HA LYS A 19 39.671 29.926 5.072 1.00 0.20 H new ATOM 0 HB2 LYS A 19 38.780 27.802 7.066 1.00 0.22 H new ATOM 0 HB3 LYS A 19 38.213 27.766 5.407 1.00 0.22 H new ATOM 0 HG2 LYS A 19 40.617 27.812 4.614 1.00 0.30 H new ATOM 0 HG3 LYS A 19 41.149 27.768 6.284 1.00 0.30 H new ATOM 0 HD2 LYS A 19 39.836 25.611 6.593 1.00 0.37 H new ATOM 0 HD3 LYS A 19 39.453 25.640 4.883 1.00 0.37 H new ATOM 0 HE2 LYS A 19 41.955 25.713 4.388 1.00 0.92 H new ATOM 0 HE3 LYS A 19 42.257 25.514 6.102 1.00 0.92 H new ATOM 0 HZ1 LYS A 19 42.283 23.383 4.954 1.00 1.77 H new ATOM 0 HZ2 LYS A 19 40.991 23.435 6.055 1.00 1.77 H new ATOM 0 HZ3 LYS A 19 40.699 23.628 4.394 1.00 1.77 H new ATOM 303 N PHE A 20 37.001 30.158 6.997 1.00 0.16 N ATOM 304 CA PHE A 20 35.646 30.760 7.006 1.00 0.16 C ATOM 305 C PHE A 20 35.776 32.257 7.291 1.00 0.19 C ATOM 306 O PHE A 20 34.798 32.962 7.443 1.00 0.30 O ATOM 307 CB PHE A 20 34.815 30.085 8.091 1.00 0.14 C ATOM 308 CG PHE A 20 34.581 28.638 7.714 1.00 0.13 C ATOM 309 CD1 PHE A 20 35.598 27.698 7.920 1.00 0.13 C ATOM 310 CD2 PHE A 20 33.356 28.233 7.155 1.00 0.13 C ATOM 311 CE1 PHE A 20 35.397 26.358 7.572 1.00 0.12 C ATOM 312 CE2 PHE A 20 33.159 26.891 6.807 1.00 0.13 C ATOM 313 CZ PHE A 20 34.178 25.955 7.016 1.00 0.12 C ATOM 0 H PHE A 20 37.272 29.682 7.857 1.00 0.16 H new ATOM 0 HA PHE A 20 35.156 30.620 6.043 1.00 0.16 H new ATOM 0 HB2 PHE A 20 35.330 30.144 9.050 1.00 0.14 H new ATOM 0 HB3 PHE A 20 33.862 30.601 8.209 1.00 0.14 H new ATOM 0 HD1 PHE A 20 36.540 28.008 8.348 1.00 0.13 H new ATOM 0 HD2 PHE A 20 32.569 28.955 6.994 1.00 0.13 H new ATOM 0 HE1 PHE A 20 36.183 25.635 7.733 1.00 0.12 H new ATOM 0 HE2 PHE A 20 32.219 26.578 6.377 1.00 0.13 H new ATOM 0 HZ PHE A 20 34.023 24.920 6.748 1.00 0.12 H new ATOM 323 N ARG A 21 36.989 32.741 7.349 1.00 0.18 N ATOM 324 CA ARG A 21 37.223 34.195 7.608 1.00 0.21 C ATOM 325 C ARG A 21 36.270 34.719 8.690 1.00 0.18 C ATOM 326 O ARG A 21 35.706 35.787 8.559 1.00 0.19 O ATOM 327 CB ARG A 21 36.994 34.979 6.313 1.00 0.29 C ATOM 328 CG ARG A 21 37.907 34.431 5.214 1.00 0.65 C ATOM 329 CD ARG A 21 37.492 35.020 3.865 1.00 1.12 C ATOM 330 NE ARG A 21 37.309 36.493 3.999 1.00 1.93 N ATOM 331 CZ ARG A 21 37.251 37.243 2.933 1.00 2.67 C ATOM 332 NH1 ARG A 21 37.355 36.704 1.749 1.00 2.95 N ATOM 333 NH2 ARG A 21 37.089 38.533 3.050 1.00 3.64 N ATOM 0 H ARG A 21 37.836 32.187 7.227 1.00 0.18 H new ATOM 0 HA ARG A 21 38.248 34.326 7.955 1.00 0.21 H new ATOM 0 HB2 ARG A 21 35.951 34.899 6.007 1.00 0.29 H new ATOM 0 HB3 ARG A 21 37.198 36.037 6.476 1.00 0.29 H new ATOM 0 HG2 ARG A 21 38.945 34.684 5.429 1.00 0.65 H new ATOM 0 HG3 ARG A 21 37.844 33.343 5.183 1.00 0.65 H new ATOM 0 HD2 ARG A 21 38.251 34.804 3.113 1.00 1.12 H new ATOM 0 HD3 ARG A 21 36.566 34.558 3.524 1.00 1.12 H new ATOM 0 HE ARG A 21 37.229 36.915 4.924 1.00 1.93 H new ATOM 0 HH11 ARG A 21 37.482 35.696 1.657 1.00 2.95 H new ATOM 0 HH12 ARG A 21 37.310 37.291 0.916 1.00 2.95 H new ATOM 0 HH21 ARG A 21 37.008 38.955 3.975 1.00 3.64 H new ATOM 0 HH22 ARG A 21 37.044 39.119 2.216 1.00 3.64 H new ATOM 347 N TYR A 22 36.086 33.990 9.759 1.00 0.15 N ATOM 348 CA TYR A 22 35.171 34.475 10.837 1.00 0.13 C ATOM 349 C TYR A 22 35.941 35.485 11.730 1.00 0.14 C ATOM 350 O TYR A 22 37.146 35.382 11.846 1.00 0.15 O ATOM 351 CB TYR A 22 34.734 33.280 11.706 1.00 0.11 C ATOM 352 CG TYR A 22 33.531 32.546 11.115 1.00 0.11 C ATOM 353 CD1 TYR A 22 32.339 33.228 10.798 1.00 0.12 C ATOM 354 CD2 TYR A 22 33.607 31.159 10.901 1.00 0.11 C ATOM 355 CE1 TYR A 22 31.247 32.526 10.274 1.00 0.13 C ATOM 356 CE2 TYR A 22 32.512 30.464 10.377 1.00 0.12 C ATOM 357 CZ TYR A 22 31.334 31.146 10.063 1.00 0.13 C ATOM 358 OH TYR A 22 30.255 30.459 9.547 1.00 0.15 O ATOM 0 H TYR A 22 36.525 33.086 9.933 1.00 0.15 H new ATOM 0 HA TYR A 22 34.297 34.952 10.394 1.00 0.13 H new ATOM 0 HB2 TYR A 22 35.567 32.584 11.810 1.00 0.11 H new ATOM 0 HB3 TYR A 22 34.486 33.632 12.707 1.00 0.11 H new ATOM 0 HD1 TYR A 22 32.268 34.293 10.960 1.00 0.12 H new ATOM 0 HD2 TYR A 22 34.515 30.627 11.142 1.00 0.11 H new ATOM 0 HE1 TYR A 22 30.335 33.051 10.032 1.00 0.13 H new ATOM 0 HE2 TYR A 22 32.577 29.398 10.215 1.00 0.12 H new ATOM 0 HH TYR A 22 29.686 30.145 10.281 1.00 0.15 H new ATOM 368 N PRO A 23 35.237 36.415 12.362 1.00 0.14 N ATOM 369 CA PRO A 23 35.883 37.397 13.260 1.00 0.16 C ATOM 370 C PRO A 23 36.540 36.667 14.445 1.00 0.16 C ATOM 371 O PRO A 23 36.437 35.467 14.581 1.00 0.15 O ATOM 372 CB PRO A 23 34.739 38.318 13.741 1.00 0.17 C ATOM 373 CG PRO A 23 33.409 37.712 13.216 1.00 0.15 C ATOM 374 CD PRO A 23 33.774 36.574 12.237 1.00 0.14 C ATOM 0 HA PRO A 23 36.669 37.965 12.763 1.00 0.16 H new ATOM 0 HB2 PRO A 23 34.729 38.383 14.829 1.00 0.17 H new ATOM 0 HB3 PRO A 23 34.876 39.331 13.363 1.00 0.17 H new ATOM 0 HG2 PRO A 23 32.809 37.330 14.042 1.00 0.15 H new ATOM 0 HG3 PRO A 23 32.812 38.473 12.714 1.00 0.15 H new ATOM 0 HD2 PRO A 23 33.254 35.651 12.493 1.00 0.14 H new ATOM 0 HD3 PRO A 23 33.491 36.827 11.215 1.00 0.14 H new ATOM 382 N TRP A 24 37.218 37.392 15.292 1.00 0.18 N ATOM 383 CA TRP A 24 37.901 36.760 16.463 1.00 0.19 C ATOM 384 C TRP A 24 36.905 36.455 17.591 1.00 0.19 C ATOM 385 O TRP A 24 37.219 35.738 18.520 1.00 0.21 O ATOM 386 CB TRP A 24 38.977 37.716 16.986 1.00 0.21 C ATOM 387 CG TRP A 24 39.627 37.127 18.197 1.00 0.28 C ATOM 388 CD1 TRP A 24 39.321 37.447 19.475 1.00 0.34 C ATOM 389 CD2 TRP A 24 40.682 36.125 18.267 1.00 0.33 C ATOM 390 NE1 TRP A 24 40.122 36.707 20.326 1.00 0.42 N ATOM 391 CE2 TRP A 24 40.978 35.877 19.629 1.00 0.42 C ATOM 392 CE3 TRP A 24 41.405 35.415 17.292 1.00 0.35 C ATOM 393 CZ2 TRP A 24 41.956 34.957 20.009 1.00 0.50 C ATOM 394 CZ3 TRP A 24 42.390 34.488 17.672 1.00 0.45 C ATOM 395 CH2 TRP A 24 42.665 34.260 19.028 1.00 0.52 C ATOM 0 H TRP A 24 37.330 38.404 15.225 1.00 0.18 H new ATOM 0 HA TRP A 24 38.347 35.820 16.138 1.00 0.19 H new ATOM 0 HB2 TRP A 24 39.723 37.898 16.213 1.00 0.21 H new ATOM 0 HB3 TRP A 24 38.532 38.680 17.232 1.00 0.21 H new ATOM 0 HD1 TRP A 24 38.573 38.164 19.781 1.00 0.34 H new ATOM 0 HE1 TRP A 24 40.085 36.767 21.344 1.00 0.42 H new ATOM 0 HE3 TRP A 24 41.202 35.583 16.245 1.00 0.35 H new ATOM 0 HZ2 TRP A 24 42.163 34.785 21.055 1.00 0.50 H new ATOM 0 HZ3 TRP A 24 42.939 33.948 16.915 1.00 0.45 H new ATOM 0 HH2 TRP A 24 43.424 33.547 19.313 1.00 0.52 H new ATOM 406 N GLU A 25 35.723 37.002 17.540 1.00 0.18 N ATOM 407 CA GLU A 25 34.744 36.743 18.640 1.00 0.21 C ATOM 408 C GLU A 25 34.121 35.345 18.503 1.00 0.17 C ATOM 409 O GLU A 25 33.498 34.850 19.421 1.00 0.20 O ATOM 410 CB GLU A 25 33.631 37.806 18.598 1.00 0.29 C ATOM 411 CG GLU A 25 34.195 39.131 18.078 1.00 1.15 C ATOM 412 CD GLU A 25 35.468 39.496 18.848 1.00 1.55 C ATOM 413 OE1 GLU A 25 35.354 39.845 20.011 1.00 2.18 O ATOM 414 OE2 GLU A 25 36.534 39.423 18.259 1.00 1.97 O ATOM 0 H GLU A 25 35.391 37.612 16.793 1.00 0.18 H new ATOM 0 HA GLU A 25 35.273 36.795 19.592 1.00 0.21 H new ATOM 0 HB2 GLU A 25 32.818 37.469 17.954 1.00 0.29 H new ATOM 0 HB3 GLU A 25 33.211 37.945 19.594 1.00 0.29 H new ATOM 0 HG2 GLU A 25 34.415 39.050 17.013 1.00 1.15 H new ATOM 0 HG3 GLU A 25 33.453 39.921 18.191 1.00 1.15 H new ATOM 421 N LEU A 26 34.255 34.713 17.365 1.00 0.13 N ATOM 422 CA LEU A 26 33.637 33.359 17.179 1.00 0.11 C ATOM 423 C LEU A 26 34.649 32.248 17.459 1.00 0.10 C ATOM 424 O LEU A 26 34.555 31.167 16.913 1.00 0.11 O ATOM 425 CB LEU A 26 33.129 33.225 15.745 1.00 0.10 C ATOM 426 CG LEU A 26 32.355 34.485 15.345 1.00 0.10 C ATOM 427 CD1 LEU A 26 31.627 34.227 14.028 1.00 0.11 C ATOM 428 CD2 LEU A 26 31.328 34.840 16.430 1.00 0.12 C ATOM 0 H LEU A 26 34.763 35.072 16.557 1.00 0.13 H new ATOM 0 HA LEU A 26 32.811 33.261 17.883 1.00 0.11 H new ATOM 0 HB2 LEU A 26 33.968 33.072 15.066 1.00 0.10 H new ATOM 0 HB3 LEU A 26 32.485 32.350 15.659 1.00 0.10 H new ATOM 0 HG LEU A 26 33.053 35.314 15.230 1.00 0.10 H new ATOM 0 HD11 LEU A 26 31.074 35.120 13.737 1.00 0.11 H new ATOM 0 HD12 LEU A 26 32.353 33.981 13.253 1.00 0.11 H new ATOM 0 HD13 LEU A 26 30.934 33.395 14.152 1.00 0.11 H new ATOM 0 HD21 LEU A 26 30.783 35.737 16.136 1.00 0.12 H new ATOM 0 HD22 LEU A 26 30.628 34.014 16.552 1.00 0.12 H new ATOM 0 HD23 LEU A 26 31.843 35.021 17.373 1.00 0.12 H new ATOM 440 N MET A 27 35.606 32.485 18.312 1.00 0.12 N ATOM 441 CA MET A 27 36.589 31.415 18.615 1.00 0.13 C ATOM 442 C MET A 27 35.936 30.294 19.472 1.00 0.11 C ATOM 443 O MET A 27 36.265 29.140 19.277 1.00 0.13 O ATOM 444 CB MET A 27 37.816 32.010 19.342 1.00 0.18 C ATOM 445 CG MET A 27 38.819 32.560 18.319 1.00 0.19 C ATOM 446 SD MET A 27 39.760 31.194 17.591 1.00 1.17 S ATOM 447 CE MET A 27 40.972 30.982 18.923 1.00 0.31 C ATOM 0 H MET A 27 35.747 33.366 18.807 1.00 0.12 H new ATOM 0 HA MET A 27 36.920 30.973 17.676 1.00 0.13 H new ATOM 0 HB2 MET A 27 37.499 32.806 20.016 1.00 0.18 H new ATOM 0 HB3 MET A 27 38.292 31.244 19.955 1.00 0.18 H new ATOM 0 HG2 MET A 27 38.293 33.109 17.538 1.00 0.19 H new ATOM 0 HG3 MET A 27 39.496 33.264 18.802 1.00 0.19 H new ATOM 0 HE1 MET A 27 41.952 31.312 18.579 1.00 0.31 H new ATOM 0 HE2 MET A 27 40.672 31.576 19.786 1.00 0.31 H new ATOM 0 HE3 MET A 27 41.022 29.931 19.206 1.00 0.31 H new ATOM 457 N PRO A 28 35.039 30.628 20.400 1.00 0.10 N ATOM 458 CA PRO A 28 34.392 29.596 21.248 1.00 0.09 C ATOM 459 C PRO A 28 33.601 28.586 20.400 1.00 0.10 C ATOM 460 O PRO A 28 33.384 27.465 20.811 1.00 0.19 O ATOM 461 CB PRO A 28 33.459 30.389 22.193 1.00 0.09 C ATOM 462 CG PRO A 28 33.814 31.888 22.021 1.00 0.11 C ATOM 463 CD PRO A 28 34.599 32.012 20.702 1.00 0.11 C ATOM 0 HA PRO A 28 35.124 29.004 21.798 1.00 0.09 H new ATOM 0 HB2 PRO A 28 32.413 30.209 21.944 1.00 0.09 H new ATOM 0 HB3 PRO A 28 33.599 30.075 23.227 1.00 0.09 H new ATOM 0 HG2 PRO A 28 32.911 32.498 21.992 1.00 0.11 H new ATOM 0 HG3 PRO A 28 34.411 32.242 22.861 1.00 0.11 H new ATOM 0 HD2 PRO A 28 33.974 32.413 19.904 1.00 0.11 H new ATOM 0 HD3 PRO A 28 35.450 32.685 20.808 1.00 0.11 H new ATOM 471 N LEU A 29 33.164 28.961 19.230 1.00 0.11 N ATOM 472 CA LEU A 29 32.396 27.996 18.390 1.00 0.09 C ATOM 473 C LEU A 29 33.383 27.112 17.633 1.00 0.10 C ATOM 474 O LEU A 29 33.310 25.901 17.686 1.00 0.19 O ATOM 475 CB LEU A 29 31.502 28.755 17.408 1.00 0.08 C ATOM 476 CG LEU A 29 30.638 29.764 18.177 1.00 0.08 C ATOM 477 CD1 LEU A 29 29.882 30.645 17.182 1.00 0.09 C ATOM 478 CD2 LEU A 29 29.631 29.017 19.065 1.00 0.08 C ATOM 0 H LEU A 29 33.303 29.885 18.821 1.00 0.11 H new ATOM 0 HA LEU A 29 31.761 27.376 19.023 1.00 0.09 H new ATOM 0 HB2 LEU A 29 32.113 29.273 16.669 1.00 0.08 H new ATOM 0 HB3 LEU A 29 30.867 28.056 16.864 1.00 0.08 H new ATOM 0 HG LEU A 29 31.279 30.384 18.804 1.00 0.08 H new ATOM 0 HD11 LEU A 29 29.267 31.363 17.725 1.00 0.09 H new ATOM 0 HD12 LEU A 29 30.595 31.180 16.554 1.00 0.09 H new ATOM 0 HD13 LEU A 29 29.244 30.022 16.556 1.00 0.09 H new ATOM 0 HD21 LEU A 29 29.020 29.738 19.609 1.00 0.08 H new ATOM 0 HD22 LEU A 29 28.989 28.394 18.442 1.00 0.08 H new ATOM 0 HD23 LEU A 29 30.168 28.388 19.775 1.00 0.08 H new ATOM 490 N MET A 30 34.326 27.699 16.952 1.00 0.10 N ATOM 491 CA MET A 30 35.325 26.874 16.231 1.00 0.12 C ATOM 492 C MET A 30 35.976 25.933 17.247 1.00 0.10 C ATOM 493 O MET A 30 36.592 24.945 16.900 1.00 0.11 O ATOM 494 CB MET A 30 36.392 27.785 15.621 1.00 0.16 C ATOM 495 CG MET A 30 35.777 28.683 14.549 1.00 0.19 C ATOM 496 SD MET A 30 35.151 27.672 13.180 1.00 1.16 S ATOM 497 CE MET A 30 33.435 28.245 13.209 1.00 0.20 C ATOM 0 H MET A 30 34.446 28.708 16.865 1.00 0.10 H new ATOM 0 HA MET A 30 34.848 26.304 15.433 1.00 0.12 H new ATOM 0 HB2 MET A 30 36.845 28.397 16.401 1.00 0.16 H new ATOM 0 HB3 MET A 30 37.189 27.182 15.186 1.00 0.16 H new ATOM 0 HG2 MET A 30 34.966 29.272 14.977 1.00 0.19 H new ATOM 0 HG3 MET A 30 36.523 29.387 14.181 1.00 0.19 H new ATOM 0 HE1 MET A 30 32.943 27.967 12.277 1.00 0.20 H new ATOM 0 HE2 MET A 30 32.912 27.785 14.047 1.00 0.20 H new ATOM 0 HE3 MET A 30 33.415 29.329 13.320 1.00 0.20 H new ATOM 507 N TYR A 31 35.834 26.247 18.509 1.00 0.09 N ATOM 508 CA TYR A 31 36.428 25.399 19.581 1.00 0.09 C ATOM 509 C TYR A 31 35.547 24.166 19.804 1.00 0.09 C ATOM 510 O TYR A 31 36.023 23.048 19.835 1.00 0.10 O ATOM 511 CB TYR A 31 36.504 26.222 20.875 1.00 0.09 C ATOM 512 CG TYR A 31 36.868 25.340 22.047 1.00 0.10 C ATOM 513 CD1 TYR A 31 38.212 25.117 22.369 1.00 0.11 C ATOM 514 CD2 TYR A 31 35.857 24.756 22.819 1.00 0.10 C ATOM 515 CE1 TYR A 31 38.544 24.306 23.461 1.00 0.12 C ATOM 516 CE2 TYR A 31 36.188 23.947 23.911 1.00 0.11 C ATOM 517 CZ TYR A 31 37.532 23.720 24.232 1.00 0.12 C ATOM 518 OH TYR A 31 37.859 22.922 25.310 1.00 0.14 O ATOM 0 H TYR A 31 35.325 27.065 18.844 1.00 0.09 H new ATOM 0 HA TYR A 31 37.427 25.075 19.290 1.00 0.09 H new ATOM 0 HB2 TYR A 31 37.245 27.014 20.765 1.00 0.09 H new ATOM 0 HB3 TYR A 31 35.545 26.706 21.061 1.00 0.09 H new ATOM 0 HD1 TYR A 31 38.992 25.570 21.776 1.00 0.11 H new ATOM 0 HD2 TYR A 31 34.820 24.930 22.571 1.00 0.10 H new ATOM 0 HE1 TYR A 31 39.581 24.132 23.709 1.00 0.12 H new ATOM 0 HE2 TYR A 31 35.407 23.498 24.506 1.00 0.11 H new ATOM 0 HH TYR A 31 37.039 22.596 25.736 1.00 0.14 H new ATOM 528 N VAL A 32 34.268 24.362 19.967 1.00 0.09 N ATOM 529 CA VAL A 32 33.357 23.205 20.195 1.00 0.09 C ATOM 530 C VAL A 32 33.345 22.305 18.958 1.00 0.09 C ATOM 531 O VAL A 32 33.481 21.102 19.054 1.00 0.12 O ATOM 532 CB VAL A 32 31.940 23.719 20.468 1.00 0.09 C ATOM 533 CG1 VAL A 32 30.979 22.531 20.590 1.00 0.09 C ATOM 534 CG2 VAL A 32 31.929 24.535 21.770 1.00 0.12 C ATOM 0 H VAL A 32 33.813 25.275 19.952 1.00 0.09 H new ATOM 0 HA VAL A 32 33.709 22.632 21.053 1.00 0.09 H new ATOM 0 HB VAL A 32 31.620 24.357 19.644 1.00 0.09 H new ATOM 0 HG11 VAL A 32 29.971 22.897 20.784 1.00 0.09 H new ATOM 0 HG12 VAL A 32 30.985 21.961 19.661 1.00 0.09 H new ATOM 0 HG13 VAL A 32 31.297 21.889 21.412 1.00 0.09 H new ATOM 0 HG21 VAL A 32 30.920 24.900 21.962 1.00 0.12 H new ATOM 0 HG22 VAL A 32 32.250 23.903 22.598 1.00 0.12 H new ATOM 0 HG23 VAL A 32 32.609 25.382 21.675 1.00 0.12 H new ATOM 544 N ILE A 33 33.182 22.872 17.797 1.00 0.09 N ATOM 545 CA ILE A 33 33.161 22.040 16.564 1.00 0.09 C ATOM 546 C ILE A 33 34.379 21.095 16.566 1.00 0.10 C ATOM 547 O ILE A 33 34.230 19.890 16.606 1.00 0.11 O ATOM 548 CB ILE A 33 33.164 22.978 15.346 1.00 0.09 C ATOM 549 CG1 ILE A 33 31.888 23.834 15.402 1.00 0.10 C ATOM 550 CG2 ILE A 33 33.174 22.169 14.045 1.00 0.10 C ATOM 551 CD1 ILE A 33 31.907 24.909 14.310 1.00 0.09 C ATOM 0 H ILE A 33 33.063 23.874 17.649 1.00 0.09 H new ATOM 0 HA ILE A 33 32.265 21.421 16.522 1.00 0.09 H new ATOM 0 HB ILE A 33 34.055 23.606 15.368 1.00 0.09 H new ATOM 0 HG12 ILE A 33 31.012 23.198 15.277 1.00 0.10 H new ATOM 0 HG13 ILE A 33 31.803 24.305 16.381 1.00 0.10 H new ATOM 0 HG21 ILE A 33 33.176 22.849 13.193 1.00 0.10 H new ATOM 0 HG22 ILE A 33 34.066 21.544 14.012 1.00 0.10 H new ATOM 0 HG23 ILE A 33 32.287 21.537 14.003 1.00 0.10 H new ATOM 0 HD11 ILE A 33 30.995 25.503 14.368 1.00 0.09 H new ATOM 0 HD12 ILE A 33 32.772 25.557 14.453 1.00 0.09 H new ATOM 0 HD13 ILE A 33 31.968 24.433 13.332 1.00 0.09 H new ATOM 563 N LEU A 34 35.576 21.621 16.539 1.00 0.10 N ATOM 564 CA LEU A 34 36.787 20.740 16.557 1.00 0.11 C ATOM 565 C LEU A 34 36.679 19.748 17.730 1.00 0.13 C ATOM 566 O LEU A 34 37.115 18.619 17.634 1.00 0.20 O ATOM 567 CB LEU A 34 38.043 21.640 16.733 1.00 0.09 C ATOM 568 CG LEU A 34 38.853 21.884 15.408 1.00 0.09 C ATOM 569 CD1 LEU A 34 38.007 21.720 14.131 1.00 0.10 C ATOM 570 CD2 LEU A 34 39.424 23.307 15.438 1.00 0.10 C ATOM 0 H LEU A 34 35.770 22.622 16.505 1.00 0.10 H new ATOM 0 HA LEU A 34 36.864 20.177 15.627 1.00 0.11 H new ATOM 0 HB2 LEU A 34 37.732 22.603 17.138 1.00 0.09 H new ATOM 0 HB3 LEU A 34 38.703 21.183 17.470 1.00 0.09 H new ATOM 0 HG LEU A 34 39.638 21.129 15.370 1.00 0.09 H new ATOM 0 HD11 LEU A 34 38.630 21.903 13.256 1.00 0.10 H new ATOM 0 HD12 LEU A 34 37.608 20.707 14.087 1.00 0.10 H new ATOM 0 HD13 LEU A 34 37.184 22.434 14.146 1.00 0.10 H new ATOM 0 HD21 LEU A 34 39.989 23.492 14.524 1.00 0.10 H new ATOM 0 HD22 LEU A 34 38.607 24.025 15.511 1.00 0.10 H new ATOM 0 HD23 LEU A 34 40.082 23.417 16.300 1.00 0.10 H new ATOM 582 N LYS A 35 36.117 20.154 18.834 1.00 0.12 N ATOM 583 CA LYS A 35 36.009 19.220 19.994 1.00 0.15 C ATOM 584 C LYS A 35 35.227 17.966 19.589 1.00 0.21 C ATOM 585 O LYS A 35 35.497 16.879 20.059 1.00 0.29 O ATOM 586 CB LYS A 35 35.290 19.919 21.153 1.00 0.13 C ATOM 587 CG LYS A 35 35.519 19.132 22.446 1.00 0.17 C ATOM 588 CD LYS A 35 34.681 19.741 23.574 1.00 0.26 C ATOM 589 CE LYS A 35 34.627 18.767 24.752 1.00 0.80 C ATOM 590 NZ LYS A 35 35.984 18.199 24.988 1.00 1.49 N ATOM 0 H LYS A 35 35.730 21.085 18.985 1.00 0.12 H new ATOM 0 HA LYS A 35 37.011 18.929 20.309 1.00 0.15 H new ATOM 0 HB2 LYS A 35 35.662 20.938 21.264 1.00 0.13 H new ATOM 0 HB3 LYS A 35 34.223 19.991 20.943 1.00 0.13 H new ATOM 0 HG2 LYS A 35 35.246 18.087 22.300 1.00 0.17 H new ATOM 0 HG3 LYS A 35 36.576 19.152 22.713 1.00 0.17 H new ATOM 0 HD2 LYS A 35 35.114 20.689 23.892 1.00 0.26 H new ATOM 0 HD3 LYS A 35 33.673 19.954 23.218 1.00 0.26 H new ATOM 0 HE2 LYS A 35 34.275 19.281 25.647 1.00 0.80 H new ATOM 0 HE3 LYS A 35 33.917 17.967 24.544 1.00 0.80 H new ATOM 0 HZ1 LYS A 35 36.049 17.850 25.966 1.00 1.49 H new ATOM 0 HZ2 LYS A 35 36.151 17.413 24.328 1.00 1.49 H new ATOM 0 HZ3 LYS A 35 36.701 18.937 24.835 1.00 1.49 H new ATOM 604 N ASP A 36 34.255 18.105 18.727 1.00 0.24 N ATOM 605 CA ASP A 36 33.453 16.918 18.302 1.00 0.32 C ATOM 606 C ASP A 36 34.129 16.218 17.123 1.00 0.26 C ATOM 607 O ASP A 36 34.135 15.007 17.026 1.00 0.36 O ATOM 608 CB ASP A 36 32.059 17.379 17.880 1.00 0.42 C ATOM 609 CG ASP A 36 31.408 18.151 19.029 1.00 0.84 C ATOM 610 OD1 ASP A 36 31.056 17.523 20.013 1.00 1.42 O ATOM 611 OD2 ASP A 36 31.272 19.357 18.904 1.00 1.56 O ATOM 0 H ASP A 36 33.981 18.989 18.298 1.00 0.24 H new ATOM 0 HA ASP A 36 33.380 16.220 19.136 1.00 0.32 H new ATOM 0 HB2 ASP A 36 32.126 18.011 16.995 1.00 0.42 H new ATOM 0 HB3 ASP A 36 31.445 16.519 17.612 1.00 0.42 H new ATOM 616 N ALA A 37 34.684 16.972 16.220 1.00 0.18 N ATOM 617 CA ALA A 37 35.345 16.359 15.036 1.00 0.17 C ATOM 618 C ALA A 37 36.716 15.818 15.424 1.00 0.16 C ATOM 619 O ALA A 37 37.634 15.821 14.627 1.00 0.21 O ATOM 620 CB ALA A 37 35.525 17.434 13.964 1.00 0.19 C ATOM 0 H ALA A 37 34.709 17.991 16.250 1.00 0.18 H new ATOM 0 HA ALA A 37 34.729 15.542 14.661 1.00 0.17 H new ATOM 0 HB1 ALA A 37 36.009 16.999 13.090 1.00 0.19 H new ATOM 0 HB2 ALA A 37 34.551 17.831 13.680 1.00 0.19 H new ATOM 0 HB3 ALA A 37 36.144 18.240 14.357 1.00 0.19 H new ATOM 626 N ASP A 38 36.889 15.378 16.635 1.00 0.18 N ATOM 627 CA ASP A 38 38.232 14.880 17.028 1.00 0.20 C ATOM 628 C ASP A 38 39.232 16.004 16.751 1.00 0.18 C ATOM 629 O ASP A 38 40.430 15.810 16.719 1.00 0.22 O ATOM 630 CB ASP A 38 38.579 13.641 16.191 1.00 0.25 C ATOM 631 CG ASP A 38 39.634 12.800 16.915 1.00 1.00 C ATOM 632 OD1 ASP A 38 40.806 13.113 16.782 1.00 1.65 O ATOM 633 OD2 ASP A 38 39.252 11.859 17.590 1.00 1.82 O ATOM 0 H ASP A 38 36.172 15.341 17.360 1.00 0.18 H new ATOM 0 HA ASP A 38 38.258 14.601 18.081 1.00 0.20 H new ATOM 0 HB2 ASP A 38 37.683 13.045 16.019 1.00 0.25 H new ATOM 0 HB3 ASP A 38 38.952 13.945 15.213 1.00 0.25 H new ATOM 638 N ALA A 39 38.709 17.180 16.534 1.00 0.14 N ATOM 639 CA ALA A 39 39.549 18.362 16.235 1.00 0.14 C ATOM 640 C ALA A 39 40.195 18.201 14.858 1.00 0.14 C ATOM 641 O ALA A 39 41.152 18.873 14.528 1.00 0.16 O ATOM 642 CB ALA A 39 40.621 18.531 17.308 1.00 0.16 C ATOM 0 H ALA A 39 37.707 17.370 16.553 1.00 0.14 H new ATOM 0 HA ALA A 39 38.922 19.254 16.230 1.00 0.14 H new ATOM 0 HB1 ALA A 39 41.232 19.403 17.077 1.00 0.16 H new ATOM 0 HB2 ALA A 39 40.145 18.668 18.279 1.00 0.16 H new ATOM 0 HB3 ALA A 39 41.252 17.643 17.335 1.00 0.16 H new ATOM 648 N ASN A 40 39.671 17.323 14.045 1.00 0.14 N ATOM 649 CA ASN A 40 40.246 17.131 12.684 1.00 0.16 C ATOM 650 C ASN A 40 39.642 18.181 11.750 1.00 0.14 C ATOM 651 O ASN A 40 38.550 18.020 11.241 1.00 0.15 O ATOM 652 CB ASN A 40 39.907 15.720 12.177 1.00 0.20 C ATOM 653 CG ASN A 40 40.930 15.282 11.124 1.00 0.78 C ATOM 654 OD1 ASN A 40 41.348 16.146 10.239 1.00 1.77 O flip ATOM 655 ND2 ASN A 40 41.353 14.143 11.107 1.00 1.19 N flip ATOM 0 H ASN A 40 38.870 16.731 14.265 1.00 0.14 H new ATOM 0 HA ASN A 40 41.330 17.242 12.713 1.00 0.16 H new ATOM 0 HB2 ASN A 40 39.905 15.016 13.009 1.00 0.20 H new ATOM 0 HB3 ASN A 40 38.905 15.710 11.749 1.00 0.20 H new ATOM 0 HD21 ASN A 40 41.027 13.467 11.798 1.00 1.19 H new ATOM 0 HD22 ASN A 40 42.034 13.862 10.402 1.00 1.19 H new ATOM 662 N ILE A 41 40.338 19.259 11.532 1.00 0.13 N ATOM 663 CA ILE A 41 39.803 20.325 10.645 1.00 0.12 C ATOM 664 C ILE A 41 39.270 19.707 9.349 1.00 0.13 C ATOM 665 O ILE A 41 38.191 20.031 8.896 1.00 0.14 O ATOM 666 CB ILE A 41 40.915 21.335 10.349 1.00 0.13 C ATOM 667 CG1 ILE A 41 41.156 22.162 11.622 1.00 0.13 C ATOM 668 CG2 ILE A 41 40.495 22.245 9.183 1.00 0.15 C ATOM 669 CD1 ILE A 41 42.291 23.160 11.400 1.00 0.16 C ATOM 0 H ILE A 41 41.257 19.448 11.931 1.00 0.13 H new ATOM 0 HA ILE A 41 38.979 20.840 11.139 1.00 0.12 H new ATOM 0 HB ILE A 41 41.833 20.823 10.062 1.00 0.13 H new ATOM 0 HG12 ILE A 41 40.245 22.693 11.897 1.00 0.13 H new ATOM 0 HG13 ILE A 41 41.402 21.500 12.452 1.00 0.13 H new ATOM 0 HG21 ILE A 41 41.290 22.962 8.976 1.00 0.15 H new ATOM 0 HG22 ILE A 41 40.313 21.639 8.296 1.00 0.15 H new ATOM 0 HG23 ILE A 41 39.584 22.780 9.449 1.00 0.15 H new ATOM 0 HD11 ILE A 41 42.450 23.738 12.310 1.00 0.16 H new ATOM 0 HD12 ILE A 41 43.205 22.622 11.148 1.00 0.16 H new ATOM 0 HD13 ILE A 41 42.029 23.833 10.583 1.00 0.16 H new ATOM 681 N GLU A 42 40.011 18.823 8.751 1.00 0.15 N ATOM 682 CA GLU A 42 39.537 18.195 7.493 1.00 0.16 C ATOM 683 C GLU A 42 38.135 17.627 7.707 1.00 0.16 C ATOM 684 O GLU A 42 37.319 17.629 6.814 1.00 0.19 O ATOM 685 CB GLU A 42 40.490 17.069 7.090 1.00 0.19 C ATOM 686 CG GLU A 42 41.899 17.634 6.900 1.00 0.26 C ATOM 687 CD GLU A 42 42.897 16.480 6.786 1.00 1.04 C ATOM 688 OE1 GLU A 42 42.749 15.683 5.875 1.00 1.80 O ATOM 689 OE2 GLU A 42 43.793 16.414 7.612 1.00 1.67 O ATOM 0 H GLU A 42 40.924 18.508 9.079 1.00 0.15 H new ATOM 0 HA GLU A 42 39.510 18.944 6.701 1.00 0.16 H new ATOM 0 HB2 GLU A 42 40.498 16.294 7.856 1.00 0.19 H new ATOM 0 HB3 GLU A 42 40.147 16.601 6.167 1.00 0.19 H new ATOM 0 HG2 GLU A 42 41.937 18.252 6.003 1.00 0.26 H new ATOM 0 HG3 GLU A 42 42.162 18.275 7.741 1.00 0.26 H new ATOM 696 N GLU A 43 37.848 17.138 8.884 1.00 0.15 N ATOM 697 CA GLU A 43 36.490 16.572 9.146 1.00 0.16 C ATOM 698 C GLU A 43 35.548 17.687 9.614 1.00 0.15 C ATOM 699 O GLU A 43 34.393 17.732 9.240 1.00 0.21 O ATOM 700 CB GLU A 43 36.583 15.490 10.226 1.00 0.18 C ATOM 701 CG GLU A 43 35.317 14.629 10.202 1.00 0.33 C ATOM 702 CD GLU A 43 35.339 13.722 8.969 1.00 1.21 C ATOM 703 OE1 GLU A 43 35.973 12.682 9.034 1.00 1.95 O ATOM 704 OE2 GLU A 43 34.722 14.085 7.981 1.00 1.84 O ATOM 0 H GLU A 43 38.492 17.105 9.674 1.00 0.15 H new ATOM 0 HA GLU A 43 36.100 16.133 8.228 1.00 0.16 H new ATOM 0 HB2 GLU A 43 37.461 14.867 10.056 1.00 0.18 H new ATOM 0 HB3 GLU A 43 36.703 15.950 11.207 1.00 0.18 H new ATOM 0 HG2 GLU A 43 35.257 14.027 11.108 1.00 0.33 H new ATOM 0 HG3 GLU A 43 34.432 15.265 10.183 1.00 0.33 H new ATOM 711 N ALA A 44 36.025 18.586 10.435 1.00 0.13 N ATOM 712 CA ALA A 44 35.139 19.688 10.918 1.00 0.14 C ATOM 713 C ALA A 44 34.820 20.648 9.768 1.00 0.16 C ATOM 714 O ALA A 44 33.695 21.057 9.583 1.00 0.20 O ATOM 715 CB ALA A 44 35.831 20.476 12.036 1.00 0.14 C ATOM 0 H ALA A 44 36.981 18.606 10.790 1.00 0.13 H new ATOM 0 HA ALA A 44 34.219 19.244 11.297 1.00 0.14 H new ATOM 0 HB1 ALA A 44 35.174 21.276 12.378 1.00 0.14 H new ATOM 0 HB2 ALA A 44 36.053 19.808 12.868 1.00 0.14 H new ATOM 0 HB3 ALA A 44 36.759 20.906 11.658 1.00 0.14 H new ATOM 721 N SER A 45 35.806 21.032 9.009 1.00 0.16 N ATOM 722 CA SER A 45 35.559 21.992 7.894 1.00 0.21 C ATOM 723 C SER A 45 34.430 21.501 6.983 1.00 0.20 C ATOM 724 O SER A 45 33.803 22.281 6.294 1.00 0.32 O ATOM 725 CB SER A 45 36.835 22.159 7.072 1.00 0.26 C ATOM 726 OG SER A 45 36.497 22.607 5.766 1.00 1.01 O ATOM 0 H SER A 45 36.773 20.724 9.111 1.00 0.16 H new ATOM 0 HA SER A 45 35.264 22.948 8.326 1.00 0.21 H new ATOM 0 HB2 SER A 45 37.501 22.875 7.554 1.00 0.26 H new ATOM 0 HB3 SER A 45 37.372 21.212 7.017 1.00 0.26 H new ATOM 0 HG SER A 45 37.314 22.717 5.236 1.00 1.01 H new ATOM 732 N ARG A 46 34.166 20.225 6.956 1.00 0.18 N ATOM 733 CA ARG A 46 33.079 19.723 6.065 1.00 0.20 C ATOM 734 C ARG A 46 31.712 20.020 6.698 1.00 0.16 C ATOM 735 O ARG A 46 30.878 20.682 6.115 1.00 0.22 O ATOM 736 CB ARG A 46 33.239 18.204 5.838 1.00 0.23 C ATOM 737 CG ARG A 46 34.712 17.794 5.971 1.00 0.85 C ATOM 738 CD ARG A 46 35.605 18.647 5.047 1.00 1.14 C ATOM 739 NE ARG A 46 34.824 19.110 3.866 1.00 1.59 N ATOM 740 CZ ARG A 46 35.274 20.095 3.136 1.00 2.17 C ATOM 741 NH1 ARG A 46 36.402 20.673 3.445 1.00 2.66 N ATOM 742 NH2 ARG A 46 34.596 20.502 2.098 1.00 2.87 N ATOM 0 H ARG A 46 34.649 19.513 7.505 1.00 0.18 H new ATOM 0 HA ARG A 46 33.144 20.230 5.102 1.00 0.20 H new ATOM 0 HB2 ARG A 46 32.636 17.656 6.562 1.00 0.23 H new ATOM 0 HB3 ARG A 46 32.869 17.937 4.848 1.00 0.23 H new ATOM 0 HG2 ARG A 46 35.035 17.912 7.005 1.00 0.85 H new ATOM 0 HG3 ARG A 46 34.824 16.739 5.720 1.00 0.85 H new ATOM 0 HD2 ARG A 46 35.994 19.505 5.595 1.00 1.14 H new ATOM 0 HD3 ARG A 46 36.464 18.063 4.718 1.00 1.14 H new ATOM 0 HE ARG A 46 33.941 18.659 3.628 1.00 1.59 H new ATOM 0 HH11 ARG A 46 36.932 20.356 4.257 1.00 2.66 H new ATOM 0 HH12 ARG A 46 36.754 21.442 2.875 1.00 2.66 H new ATOM 0 HH21 ARG A 46 33.714 20.051 1.856 1.00 2.87 H new ATOM 0 HH22 ARG A 46 34.948 21.271 1.528 1.00 2.87 H new ATOM 756 N ARG A 47 31.475 19.528 7.879 1.00 0.13 N ATOM 757 CA ARG A 47 30.158 19.774 8.539 1.00 0.13 C ATOM 758 C ARG A 47 29.806 21.266 8.458 1.00 0.11 C ATOM 759 O ARG A 47 28.733 21.630 8.019 1.00 0.13 O ATOM 760 CB ARG A 47 30.193 19.306 10.005 1.00 0.18 C ATOM 761 CG ARG A 47 31.540 19.643 10.646 1.00 0.49 C ATOM 762 CD ARG A 47 31.597 19.074 12.073 1.00 0.62 C ATOM 763 NE ARG A 47 32.079 17.665 12.027 1.00 0.81 N ATOM 764 CZ ARG A 47 32.416 17.056 13.132 1.00 1.20 C ATOM 765 NH1 ARG A 47 32.320 17.680 14.275 1.00 1.99 N ATOM 766 NH2 ARG A 47 32.843 15.825 13.097 1.00 1.63 N ATOM 0 H ARG A 47 32.133 18.966 8.419 1.00 0.13 H new ATOM 0 HA ARG A 47 29.390 19.202 8.018 1.00 0.13 H new ATOM 0 HB2 ARG A 47 29.388 19.784 10.564 1.00 0.18 H new ATOM 0 HB3 ARG A 47 30.020 18.231 10.053 1.00 0.18 H new ATOM 0 HG2 ARG A 47 32.351 19.229 10.047 1.00 0.49 H new ATOM 0 HG3 ARG A 47 31.681 20.724 10.670 1.00 0.49 H new ATOM 0 HD2 ARG A 47 32.263 19.677 12.690 1.00 0.62 H new ATOM 0 HD3 ARG A 47 30.610 19.117 12.533 1.00 0.62 H new ATOM 0 HE ARG A 47 32.146 17.177 11.134 1.00 0.81 H new ATOM 0 HH11 ARG A 47 31.982 18.642 14.304 1.00 1.99 H new ATOM 0 HH12 ARG A 47 32.583 17.205 15.139 1.00 1.99 H new ATOM 0 HH21 ARG A 47 32.915 15.335 12.205 1.00 1.63 H new ATOM 0 HH22 ARG A 47 33.106 15.352 13.961 1.00 1.63 H new ATOM 780 N ILE A 48 30.696 22.136 8.859 1.00 0.10 N ATOM 781 CA ILE A 48 30.391 23.601 8.777 1.00 0.10 C ATOM 782 C ILE A 48 29.871 23.917 7.378 1.00 0.11 C ATOM 783 O ILE A 48 28.782 24.429 7.210 1.00 0.13 O ATOM 784 CB ILE A 48 31.657 24.413 9.060 1.00 0.10 C ATOM 785 CG1 ILE A 48 32.240 23.969 10.405 1.00 0.09 C ATOM 786 CG2 ILE A 48 31.303 25.904 9.123 1.00 0.11 C ATOM 787 CD1 ILE A 48 33.423 24.862 10.778 1.00 0.10 C ATOM 0 H ILE A 48 31.614 21.901 9.237 1.00 0.10 H new ATOM 0 HA ILE A 48 29.636 23.863 9.518 1.00 0.10 H new ATOM 0 HB ILE A 48 32.388 24.249 8.268 1.00 0.10 H new ATOM 0 HG12 ILE A 48 31.474 24.023 11.179 1.00 0.09 H new ATOM 0 HG13 ILE A 48 32.562 22.929 10.347 1.00 0.09 H new ATOM 0 HG21 ILE A 48 32.204 26.484 9.325 1.00 0.11 H new ATOM 0 HG22 ILE A 48 30.876 26.217 8.170 1.00 0.11 H new ATOM 0 HG23 ILE A 48 30.578 26.072 9.919 1.00 0.11 H new ATOM 0 HD11 ILE A 48 33.833 24.541 11.736 1.00 0.10 H new ATOM 0 HD12 ILE A 48 34.193 24.786 10.010 1.00 0.10 H new ATOM 0 HD13 ILE A 48 33.088 25.896 10.855 1.00 0.10 H new ATOM 799 N GLU A 49 30.632 23.600 6.371 1.00 0.11 N ATOM 800 CA GLU A 49 30.170 23.865 4.980 1.00 0.12 C ATOM 801 C GLU A 49 28.770 23.289 4.815 1.00 0.12 C ATOM 802 O GLU A 49 27.819 23.997 4.551 1.00 0.13 O ATOM 803 CB GLU A 49 31.100 23.165 4.001 1.00 0.13 C ATOM 804 CG GLU A 49 32.438 23.905 3.936 1.00 0.15 C ATOM 805 CD GLU A 49 32.269 25.201 3.141 1.00 0.17 C ATOM 806 OE1 GLU A 49 31.990 25.114 1.956 1.00 1.08 O ATOM 807 OE2 GLU A 49 32.421 26.258 3.731 1.00 1.09 O ATOM 0 H GLU A 49 31.553 23.169 6.449 1.00 0.11 H new ATOM 0 HA GLU A 49 30.168 24.938 4.788 1.00 0.12 H new ATOM 0 HB2 GLU A 49 31.260 22.133 4.312 1.00 0.13 H new ATOM 0 HB3 GLU A 49 30.644 23.133 3.012 1.00 0.13 H new ATOM 0 HG2 GLU A 49 32.791 24.127 4.943 1.00 0.15 H new ATOM 0 HG3 GLU A 49 33.192 23.274 3.466 1.00 0.15 H new ATOM 814 N GLU A 50 28.635 22.002 4.999 1.00 0.12 N ATOM 815 CA GLU A 50 27.292 21.374 4.884 1.00 0.13 C ATOM 816 C GLU A 50 26.343 22.175 5.761 1.00 0.12 C ATOM 817 O GLU A 50 25.148 22.173 5.578 1.00 0.12 O ATOM 818 CB GLU A 50 27.356 19.923 5.373 1.00 0.14 C ATOM 819 CG GLU A 50 25.990 19.250 5.196 1.00 0.17 C ATOM 820 CD GLU A 50 25.649 19.163 3.707 1.00 1.15 C ATOM 821 OE1 GLU A 50 26.132 18.247 3.061 1.00 2.03 O ATOM 822 OE2 GLU A 50 24.911 20.013 3.237 1.00 1.74 O ATOM 0 H GLU A 50 29.397 21.362 5.223 1.00 0.12 H new ATOM 0 HA GLU A 50 26.951 21.371 3.849 1.00 0.13 H new ATOM 0 HB2 GLU A 50 28.116 19.376 4.815 1.00 0.14 H new ATOM 0 HB3 GLU A 50 27.651 19.897 6.422 1.00 0.14 H new ATOM 0 HG2 GLU A 50 26.005 18.252 5.635 1.00 0.17 H new ATOM 0 HG3 GLU A 50 25.223 19.818 5.722 1.00 0.17 H new ATOM 829 N GLY A 51 26.893 22.887 6.701 1.00 0.11 N ATOM 830 CA GLY A 51 26.043 23.726 7.596 1.00 0.10 C ATOM 831 C GLY A 51 25.684 25.005 6.843 1.00 0.10 C ATOM 832 O GLY A 51 24.528 25.338 6.668 1.00 0.11 O ATOM 0 H GLY A 51 27.894 22.926 6.891 1.00 0.11 H new ATOM 0 HA2 GLY A 51 25.140 23.185 7.881 1.00 0.10 H new ATOM 0 HA3 GLY A 51 26.577 23.963 8.516 1.00 0.10 H new ATOM 836 N GLN A 52 26.676 25.708 6.375 1.00 0.10 N ATOM 837 CA GLN A 52 26.425 26.957 5.600 1.00 0.12 C ATOM 838 C GLN A 52 25.393 26.658 4.522 1.00 0.12 C ATOM 839 O GLN A 52 24.448 27.394 4.323 1.00 0.13 O ATOM 840 CB GLN A 52 27.737 27.408 4.956 1.00 0.14 C ATOM 841 CG GLN A 52 28.793 27.601 6.050 1.00 0.19 C ATOM 842 CD GLN A 52 28.499 28.885 6.826 1.00 0.42 C ATOM 843 OE1 GLN A 52 27.783 29.744 6.353 1.00 0.95 O ATOM 844 NE2 GLN A 52 29.028 29.053 8.007 1.00 0.39 N ATOM 0 H GLN A 52 27.660 25.469 6.497 1.00 0.10 H new ATOM 0 HA GLN A 52 26.053 27.747 6.252 1.00 0.12 H new ATOM 0 HB2 GLN A 52 28.076 26.666 4.233 1.00 0.14 H new ATOM 0 HB3 GLN A 52 27.587 28.339 4.410 1.00 0.14 H new ATOM 0 HG2 GLN A 52 28.790 26.747 6.727 1.00 0.19 H new ATOM 0 HG3 GLN A 52 29.787 27.652 5.605 1.00 0.19 H new ATOM 0 HE21 GLN A 52 29.629 28.331 8.404 1.00 0.39 H new ATOM 0 HE22 GLN A 52 28.840 29.906 8.533 1.00 0.39 H new ATOM 853 N TYR A 53 25.564 25.568 3.838 1.00 0.12 N ATOM 854 CA TYR A 53 24.586 25.196 2.778 1.00 0.13 C ATOM 855 C TYR A 53 23.197 25.022 3.416 1.00 0.13 C ATOM 856 O TYR A 53 22.212 25.529 2.920 1.00 0.15 O ATOM 857 CB TYR A 53 25.032 23.889 2.092 1.00 0.14 C ATOM 858 CG TYR A 53 23.858 23.245 1.380 1.00 0.15 C ATOM 859 CD1 TYR A 53 22.953 22.474 2.112 1.00 0.16 C ATOM 860 CD2 TYR A 53 23.669 23.429 0.006 1.00 0.17 C ATOM 861 CE1 TYR A 53 21.857 21.884 1.481 1.00 0.18 C ATOM 862 CE2 TYR A 53 22.569 22.839 -0.632 1.00 0.19 C ATOM 863 CZ TYR A 53 21.662 22.066 0.107 1.00 0.19 C ATOM 864 OH TYR A 53 20.579 21.484 -0.520 1.00 0.22 O ATOM 0 H TYR A 53 26.338 24.916 3.964 1.00 0.12 H new ATOM 0 HA TYR A 53 24.538 25.982 2.024 1.00 0.13 H new ATOM 0 HB2 TYR A 53 25.829 24.098 1.379 1.00 0.14 H new ATOM 0 HB3 TYR A 53 25.439 23.201 2.833 1.00 0.14 H new ATOM 0 HD1 TYR A 53 23.102 22.333 3.172 1.00 0.16 H new ATOM 0 HD2 TYR A 53 24.369 24.024 -0.562 1.00 0.17 H new ATOM 0 HE1 TYR A 53 21.160 21.288 2.052 1.00 0.18 H new ATOM 0 HE2 TYR A 53 22.420 22.980 -1.692 1.00 0.19 H new ATOM 0 HH TYR A 53 20.592 21.711 -1.473 1.00 0.22 H new ATOM 874 N VAL A 54 23.108 24.304 4.506 1.00 0.15 N ATOM 875 CA VAL A 54 21.775 24.105 5.150 1.00 0.14 C ATOM 876 C VAL A 54 21.118 25.465 5.372 1.00 0.14 C ATOM 877 O VAL A 54 20.097 25.779 4.792 1.00 0.15 O ATOM 878 CB VAL A 54 21.928 23.399 6.511 1.00 0.13 C ATOM 879 CG1 VAL A 54 20.545 23.309 7.169 1.00 0.14 C ATOM 880 CG2 VAL A 54 22.519 21.970 6.343 1.00 0.14 C ATOM 0 H VAL A 54 23.893 23.851 4.974 1.00 0.15 H new ATOM 0 HA VAL A 54 21.161 23.486 4.496 1.00 0.14 H new ATOM 0 HB VAL A 54 22.615 23.973 7.133 1.00 0.13 H new ATOM 0 HG11 VAL A 54 20.633 22.811 8.135 1.00 0.14 H new ATOM 0 HG12 VAL A 54 20.145 24.313 7.313 1.00 0.14 H new ATOM 0 HG13 VAL A 54 19.873 22.739 6.527 1.00 0.14 H new ATOM 0 HG21 VAL A 54 22.615 21.498 7.321 1.00 0.14 H new ATOM 0 HG22 VAL A 54 21.856 21.374 5.716 1.00 0.14 H new ATOM 0 HG23 VAL A 54 23.501 22.035 5.874 1.00 0.14 H new ATOM 890 N VAL A 55 21.698 26.273 6.211 1.00 0.15 N ATOM 891 CA VAL A 55 21.118 27.615 6.483 1.00 0.16 C ATOM 892 C VAL A 55 20.836 28.320 5.155 1.00 0.19 C ATOM 893 O VAL A 55 19.740 28.780 4.905 1.00 0.22 O ATOM 894 CB VAL A 55 22.120 28.433 7.308 1.00 0.19 C ATOM 895 CG1 VAL A 55 21.508 29.784 7.688 1.00 0.29 C ATOM 896 CG2 VAL A 55 22.471 27.660 8.582 1.00 0.13 C ATOM 0 H VAL A 55 22.554 26.060 6.723 1.00 0.15 H new ATOM 0 HA VAL A 55 20.186 27.516 7.040 1.00 0.16 H new ATOM 0 HB VAL A 55 23.019 28.603 6.716 1.00 0.19 H new ATOM 0 HG11 VAL A 55 22.227 30.357 8.273 1.00 0.29 H new ATOM 0 HG12 VAL A 55 21.255 30.336 6.783 1.00 0.29 H new ATOM 0 HG13 VAL A 55 20.606 29.622 8.279 1.00 0.29 H new ATOM 0 HG21 VAL A 55 23.183 28.236 9.173 1.00 0.13 H new ATOM 0 HG22 VAL A 55 21.566 27.492 9.167 1.00 0.13 H new ATOM 0 HG23 VAL A 55 22.914 26.700 8.315 1.00 0.13 H new ATOM 906 N ASN A 56 21.818 28.407 4.304 1.00 0.22 N ATOM 907 CA ASN A 56 21.611 29.084 2.992 1.00 0.27 C ATOM 908 C ASN A 56 20.492 28.379 2.222 1.00 0.26 C ATOM 909 O ASN A 56 19.504 28.982 1.853 1.00 0.33 O ATOM 910 CB ASN A 56 22.904 29.026 2.175 1.00 0.35 C ATOM 911 CG ASN A 56 22.689 29.724 0.831 1.00 0.71 C ATOM 912 OD1 ASN A 56 21.656 30.322 0.603 1.00 1.56 O ATOM 913 ND2 ASN A 56 23.625 29.671 -0.077 1.00 0.90 N ATOM 0 H ASN A 56 22.756 28.039 4.459 1.00 0.22 H new ATOM 0 HA ASN A 56 21.335 30.125 3.163 1.00 0.27 H new ATOM 0 HB2 ASN A 56 23.714 29.508 2.722 1.00 0.35 H new ATOM 0 HB3 ASN A 56 23.200 27.989 2.015 1.00 0.35 H new ATOM 0 HD21 ASN A 56 23.489 30.131 -0.977 1.00 0.90 H new ATOM 0 HD22 ASN A 56 24.492 29.169 0.113 1.00 0.90 H new ATOM 920 N GLU A 57 20.637 27.107 1.973 1.00 0.24 N ATOM 921 CA GLU A 57 19.580 26.369 1.225 1.00 0.26 C ATOM 922 C GLU A 57 18.230 26.573 1.916 1.00 0.25 C ATOM 923 O GLU A 57 17.200 26.653 1.277 1.00 0.32 O ATOM 924 CB GLU A 57 19.919 24.877 1.200 1.00 0.29 C ATOM 925 CG GLU A 57 18.988 24.157 0.221 1.00 0.50 C ATOM 926 CD GLU A 57 19.372 24.521 -1.215 1.00 1.58 C ATOM 927 OE1 GLU A 57 20.477 25.001 -1.409 1.00 2.37 O ATOM 928 OE2 GLU A 57 18.554 24.314 -2.096 1.00 2.31 O ATOM 0 H GLU A 57 21.441 26.547 2.255 1.00 0.24 H new ATOM 0 HA GLU A 57 19.527 26.747 0.204 1.00 0.26 H new ATOM 0 HB2 GLU A 57 20.958 24.734 0.902 1.00 0.29 H new ATOM 0 HB3 GLU A 57 19.813 24.452 2.198 1.00 0.29 H new ATOM 0 HG2 GLU A 57 19.057 23.079 0.364 1.00 0.50 H new ATOM 0 HG3 GLU A 57 17.953 24.439 0.414 1.00 0.50 H new ATOM 1388 N VAL B 8 12.564 21.303 12.454 1.00 0.33 N ATOM 1389 CA VAL B 8 12.717 21.319 13.937 1.00 0.39 C ATOM 1390 C VAL B 8 14.190 21.517 14.297 1.00 0.36 C ATOM 1391 O VAL B 8 14.522 22.201 15.245 1.00 0.48 O ATOM 1392 CB VAL B 8 12.226 19.990 14.513 1.00 0.50 C ATOM 1393 CG1 VAL B 8 12.107 20.107 16.034 1.00 0.98 C ATOM 1394 CG2 VAL B 8 10.856 19.655 13.919 1.00 1.19 C ATOM 0 HA VAL B 8 12.129 22.137 14.354 1.00 0.39 H new ATOM 0 HB VAL B 8 12.935 19.200 14.264 1.00 0.50 H new ATOM 0 HG11 VAL B 8 11.757 19.160 16.445 1.00 0.98 H new ATOM 0 HG12 VAL B 8 13.082 20.349 16.458 1.00 0.98 H new ATOM 0 HG13 VAL B 8 11.397 20.896 16.284 1.00 0.98 H new ATOM 0 HG21 VAL B 8 10.504 18.708 14.328 1.00 1.19 H new ATOM 0 HG22 VAL B 8 10.148 20.445 14.170 1.00 1.19 H new ATOM 0 HG23 VAL B 8 10.939 19.573 12.835 1.00 1.19 H new ATOM 1404 N PHE B 9 15.077 20.925 13.546 1.00 0.28 N ATOM 1405 CA PHE B 9 16.528 21.079 13.841 1.00 0.27 C ATOM 1406 C PHE B 9 16.867 22.568 13.943 1.00 0.25 C ATOM 1407 O PHE B 9 17.509 23.005 14.878 1.00 0.32 O ATOM 1408 CB PHE B 9 17.341 20.431 12.714 1.00 0.26 C ATOM 1409 CG PHE B 9 18.748 20.166 13.188 1.00 0.21 C ATOM 1410 CD1 PHE B 9 19.047 18.975 13.860 1.00 0.18 C ATOM 1411 CD2 PHE B 9 19.751 21.110 12.957 1.00 0.23 C ATOM 1412 CE1 PHE B 9 20.352 18.732 14.301 1.00 0.18 C ATOM 1413 CE2 PHE B 9 21.054 20.867 13.397 1.00 0.23 C ATOM 1414 CZ PHE B 9 21.355 19.679 14.068 1.00 0.20 C ATOM 0 H PHE B 9 14.858 20.340 12.739 1.00 0.28 H new ATOM 0 HA PHE B 9 16.771 20.592 14.785 1.00 0.27 H new ATOM 0 HB2 PHE B 9 16.870 19.498 12.403 1.00 0.26 H new ATOM 0 HB3 PHE B 9 17.358 21.085 11.842 1.00 0.26 H new ATOM 0 HD1 PHE B 9 18.271 18.245 14.038 1.00 0.18 H new ATOM 0 HD2 PHE B 9 19.519 22.028 12.438 1.00 0.23 H new ATOM 0 HE1 PHE B 9 20.585 17.814 14.821 1.00 0.18 H new ATOM 0 HE2 PHE B 9 21.829 21.598 13.219 1.00 0.23 H new ATOM 0 HZ PHE B 9 22.363 19.492 14.407 1.00 0.20 H new ATOM 1424 N LEU B 10 16.433 23.354 12.996 1.00 0.23 N ATOM 1425 CA LEU B 10 16.726 24.813 13.055 1.00 0.23 C ATOM 1426 C LEU B 10 16.052 25.400 14.297 1.00 0.24 C ATOM 1427 O LEU B 10 16.573 26.289 14.938 1.00 0.28 O ATOM 1428 CB LEU B 10 16.185 25.504 11.799 1.00 0.25 C ATOM 1429 CG LEU B 10 16.558 24.692 10.554 1.00 0.24 C ATOM 1430 CD1 LEU B 10 16.195 25.490 9.302 1.00 0.30 C ATOM 1431 CD2 LEU B 10 18.063 24.406 10.552 1.00 0.23 C ATOM 0 H LEU B 10 15.890 23.050 12.187 1.00 0.23 H new ATOM 0 HA LEU B 10 17.803 24.971 13.107 1.00 0.23 H new ATOM 0 HB2 LEU B 10 15.102 25.605 11.867 1.00 0.25 H new ATOM 0 HB3 LEU B 10 16.594 26.511 11.723 1.00 0.25 H new ATOM 0 HG LEU B 10 16.011 23.749 10.563 1.00 0.24 H new ATOM 0 HD11 LEU B 10 16.459 24.915 8.415 1.00 0.30 H new ATOM 0 HD12 LEU B 10 15.124 25.693 9.297 1.00 0.30 H new ATOM 0 HD13 LEU B 10 16.743 26.432 9.300 1.00 0.30 H new ATOM 0 HD21 LEU B 10 18.322 23.828 9.665 1.00 0.23 H new ATOM 0 HD22 LEU B 10 18.612 25.347 10.546 1.00 0.23 H new ATOM 0 HD23 LEU B 10 18.327 23.838 11.444 1.00 0.23 H new ATOM 1443 N ASP B 11 14.897 24.902 14.645 1.00 0.23 N ATOM 1444 CA ASP B 11 14.197 25.426 15.851 1.00 0.25 C ATOM 1445 C ASP B 11 15.135 25.327 17.055 1.00 0.22 C ATOM 1446 O ASP B 11 15.334 26.281 17.777 1.00 0.30 O ATOM 1447 CB ASP B 11 12.932 24.601 16.113 1.00 0.30 C ATOM 1448 CG ASP B 11 12.017 25.359 17.077 1.00 0.97 C ATOM 1449 OD1 ASP B 11 12.483 25.721 18.145 1.00 1.67 O ATOM 1450 OD2 ASP B 11 10.866 25.565 16.730 1.00 1.67 O ATOM 0 H ASP B 11 14.409 24.157 14.148 1.00 0.23 H new ATOM 0 HA ASP B 11 13.916 26.467 15.689 1.00 0.25 H new ATOM 0 HB2 ASP B 11 12.410 24.409 15.176 1.00 0.30 H new ATOM 0 HB3 ASP B 11 13.198 23.632 16.534 1.00 0.30 H new ATOM 1455 N TYR B 12 15.722 24.184 17.282 1.00 0.17 N ATOM 1456 CA TYR B 12 16.646 24.059 18.438 1.00 0.15 C ATOM 1457 C TYR B 12 17.798 25.048 18.254 1.00 0.16 C ATOM 1458 O TYR B 12 18.219 25.715 19.177 1.00 0.23 O ATOM 1459 CB TYR B 12 17.202 22.629 18.513 1.00 0.14 C ATOM 1460 CG TYR B 12 16.089 21.650 18.849 1.00 0.17 C ATOM 1461 CD1 TYR B 12 15.363 21.785 20.041 1.00 0.23 C ATOM 1462 CD2 TYR B 12 15.786 20.602 17.968 1.00 0.20 C ATOM 1463 CE1 TYR B 12 14.340 20.879 20.348 1.00 0.27 C ATOM 1464 CE2 TYR B 12 14.763 19.697 18.277 1.00 0.24 C ATOM 1465 CZ TYR B 12 14.040 19.836 19.466 1.00 0.27 C ATOM 1466 OH TYR B 12 13.031 18.944 19.770 1.00 0.32 O ATOM 0 H TYR B 12 15.602 23.340 16.722 1.00 0.17 H new ATOM 0 HA TYR B 12 16.110 24.277 19.362 1.00 0.15 H new ATOM 0 HB2 TYR B 12 17.659 22.358 17.561 1.00 0.14 H new ATOM 0 HB3 TYR B 12 17.985 22.575 19.270 1.00 0.14 H new ATOM 0 HD1 TYR B 12 15.593 22.589 20.724 1.00 0.23 H new ATOM 0 HD2 TYR B 12 16.343 20.493 17.049 1.00 0.20 H new ATOM 0 HE1 TYR B 12 13.782 20.986 21.267 1.00 0.27 H new ATOM 0 HE2 TYR B 12 14.532 18.891 17.596 1.00 0.24 H new ATOM 0 HH TYR B 12 12.952 18.282 19.052 1.00 0.32 H new ATOM 1476 N CYS B 13 18.305 25.149 17.063 1.00 0.19 N ATOM 1477 CA CYS B 13 19.424 26.091 16.800 1.00 0.24 C ATOM 1478 C CYS B 13 18.999 27.509 17.183 1.00 0.26 C ATOM 1479 O CYS B 13 19.726 28.231 17.837 1.00 0.33 O ATOM 1480 CB CYS B 13 19.779 26.046 15.315 1.00 0.30 C ATOM 1481 SG CYS B 13 20.327 24.378 14.876 1.00 1.27 S ATOM 0 H CYS B 13 17.991 24.616 16.252 1.00 0.19 H new ATOM 0 HA CYS B 13 20.293 25.804 17.393 1.00 0.24 H new ATOM 0 HB2 CYS B 13 18.913 26.326 14.715 1.00 0.30 H new ATOM 0 HB3 CYS B 13 20.566 26.768 15.096 1.00 0.30 H new ATOM 0 HG CYS B 13 19.298 23.586 14.813 1.00 1.27 H new ATOM 1487 N GLN B 14 17.825 27.915 16.783 1.00 0.24 N ATOM 1488 CA GLN B 14 17.350 29.282 17.123 1.00 0.27 C ATOM 1489 C GLN B 14 17.580 29.544 18.615 1.00 0.24 C ATOM 1490 O GLN B 14 18.047 30.596 19.004 1.00 0.29 O ATOM 1491 CB GLN B 14 15.858 29.388 16.796 1.00 0.32 C ATOM 1492 CG GLN B 14 15.672 29.545 15.285 1.00 0.62 C ATOM 1493 CD GLN B 14 14.199 29.332 14.928 1.00 0.88 C ATOM 1494 OE1 GLN B 14 13.321 29.843 15.594 1.00 1.69 O ATOM 1495 NE2 GLN B 14 13.891 28.594 13.897 1.00 1.44 N ATOM 0 H GLN B 14 17.173 27.355 16.233 1.00 0.24 H new ATOM 0 HA GLN B 14 17.901 30.023 16.543 1.00 0.27 H new ATOM 0 HB2 GLN B 14 15.335 28.498 17.146 1.00 0.32 H new ATOM 0 HB3 GLN B 14 15.421 30.240 17.317 1.00 0.32 H new ATOM 0 HG2 GLN B 14 15.994 30.537 14.969 1.00 0.62 H new ATOM 0 HG3 GLN B 14 16.294 28.824 14.754 1.00 0.62 H new ATOM 0 HE21 GLN B 14 14.629 28.165 13.338 1.00 1.44 H new ATOM 0 HE22 GLN B 14 12.913 28.446 13.650 1.00 1.44 H new ATOM 1504 N LYS B 15 17.271 28.592 19.455 1.00 0.23 N ATOM 1505 CA LYS B 15 17.492 28.792 20.915 1.00 0.23 C ATOM 1506 C LYS B 15 18.982 29.032 21.158 1.00 0.20 C ATOM 1507 O LYS B 15 19.390 30.047 21.685 1.00 0.23 O ATOM 1508 CB LYS B 15 17.071 27.535 21.674 1.00 0.24 C ATOM 1509 CG LYS B 15 15.546 27.424 21.714 1.00 0.55 C ATOM 1510 CD LYS B 15 15.153 26.008 22.160 1.00 1.19 C ATOM 1511 CE LYS B 15 13.714 26.005 22.672 1.00 1.47 C ATOM 1512 NZ LYS B 15 12.818 26.620 21.652 1.00 2.21 N ATOM 0 H LYS B 15 16.877 27.688 19.194 1.00 0.23 H new ATOM 0 HA LYS B 15 16.906 29.644 21.260 1.00 0.23 H new ATOM 0 HB2 LYS B 15 17.494 26.653 21.193 1.00 0.24 H new ATOM 0 HB3 LYS B 15 17.467 27.565 22.689 1.00 0.24 H new ATOM 0 HG2 LYS B 15 15.134 28.162 22.402 1.00 0.55 H new ATOM 0 HG3 LYS B 15 15.128 27.637 20.730 1.00 0.55 H new ATOM 0 HD2 LYS B 15 15.253 25.314 21.326 1.00 1.19 H new ATOM 0 HD3 LYS B 15 15.828 25.664 22.944 1.00 1.19 H new ATOM 0 HE2 LYS B 15 13.395 24.984 22.883 1.00 1.47 H new ATOM 0 HE3 LYS B 15 13.650 26.559 23.608 1.00 1.47 H new ATOM 0 HZ1 LYS B 15 11.828 26.394 21.878 1.00 2.21 H new ATOM 0 HZ2 LYS B 15 12.946 27.652 21.654 1.00 2.21 H new ATOM 0 HZ3 LYS B 15 13.053 26.244 20.711 1.00 2.21 H new ATOM 1526 N LEU B 16 19.797 28.092 20.766 1.00 0.18 N ATOM 1527 CA LEU B 16 21.268 28.232 20.953 1.00 0.17 C ATOM 1528 C LEU B 16 21.701 29.627 20.479 1.00 0.18 C ATOM 1529 O LEU B 16 22.682 30.178 20.936 1.00 0.23 O ATOM 1530 CB LEU B 16 21.968 27.132 20.115 1.00 0.15 C ATOM 1531 CG LEU B 16 23.039 26.389 20.937 1.00 0.15 C ATOM 1532 CD1 LEU B 16 22.385 25.563 22.063 1.00 0.25 C ATOM 1533 CD2 LEU B 16 23.812 25.462 19.993 1.00 0.18 C ATOM 0 H LEU B 16 19.503 27.224 20.319 1.00 0.18 H new ATOM 0 HA LEU B 16 21.541 28.119 22.002 1.00 0.17 H new ATOM 0 HB2 LEU B 16 21.225 26.420 19.755 1.00 0.15 H new ATOM 0 HB3 LEU B 16 22.430 27.582 19.236 1.00 0.15 H new ATOM 0 HG LEU B 16 23.713 27.111 21.397 1.00 0.15 H new ATOM 0 HD11 LEU B 16 23.158 25.046 22.631 1.00 0.25 H new ATOM 0 HD12 LEU B 16 21.830 26.227 22.726 1.00 0.25 H new ATOM 0 HD13 LEU B 16 21.704 24.831 21.629 1.00 0.25 H new ATOM 0 HD21 LEU B 16 24.576 24.926 20.555 1.00 0.18 H new ATOM 0 HD22 LEU B 16 23.124 24.747 19.542 1.00 0.18 H new ATOM 0 HD23 LEU B 16 24.286 26.053 19.210 1.00 0.18 H new ATOM 1545 N LEU B 17 20.976 30.188 19.552 1.00 0.17 N ATOM 1546 CA LEU B 17 21.331 31.534 19.022 1.00 0.19 C ATOM 1547 C LEU B 17 20.772 32.633 19.936 1.00 0.22 C ATOM 1548 O LEU B 17 21.499 33.473 20.428 1.00 0.30 O ATOM 1549 CB LEU B 17 20.734 31.675 17.612 1.00 0.19 C ATOM 1550 CG LEU B 17 21.496 32.748 16.806 1.00 0.22 C ATOM 1551 CD1 LEU B 17 22.734 32.129 16.140 1.00 0.14 C ATOM 1552 CD2 LEU B 17 20.585 33.318 15.711 1.00 0.33 C ATOM 0 H LEU B 17 20.145 29.768 19.135 1.00 0.17 H new ATOM 0 HA LEU B 17 22.415 31.639 18.984 1.00 0.19 H new ATOM 0 HB2 LEU B 17 20.784 30.718 17.092 1.00 0.19 H new ATOM 0 HB3 LEU B 17 19.680 31.945 17.682 1.00 0.19 H new ATOM 0 HG LEU B 17 21.803 33.541 17.488 1.00 0.22 H new ATOM 0 HD11 LEU B 17 23.264 32.895 15.574 1.00 0.14 H new ATOM 0 HD12 LEU B 17 23.394 31.722 16.906 1.00 0.14 H new ATOM 0 HD13 LEU B 17 22.424 31.330 15.467 1.00 0.14 H new ATOM 0 HD21 LEU B 17 21.127 34.075 15.144 1.00 0.33 H new ATOM 0 HD22 LEU B 17 20.276 32.516 15.041 1.00 0.33 H new ATOM 0 HD23 LEU B 17 19.704 33.769 16.169 1.00 0.33 H new ATOM 1564 N GLU B 18 19.485 32.646 20.147 1.00 0.20 N ATOM 1565 CA GLU B 18 18.877 33.704 21.004 1.00 0.24 C ATOM 1566 C GLU B 18 19.500 33.686 22.408 1.00 0.22 C ATOM 1567 O GLU B 18 19.636 34.713 23.043 1.00 0.26 O ATOM 1568 CB GLU B 18 17.354 33.482 21.082 1.00 0.30 C ATOM 1569 CG GLU B 18 17.007 32.439 22.156 1.00 1.05 C ATOM 1570 CD GLU B 18 15.612 31.865 21.892 1.00 1.67 C ATOM 1571 OE1 GLU B 18 15.338 31.526 20.753 1.00 2.29 O ATOM 1572 OE2 GLU B 18 14.842 31.775 22.834 1.00 2.17 O ATOM 0 H GLU B 18 18.826 31.969 19.763 1.00 0.20 H new ATOM 0 HA GLU B 18 19.075 34.681 20.564 1.00 0.24 H new ATOM 0 HB2 GLU B 18 16.856 34.424 21.310 1.00 0.30 H new ATOM 0 HB3 GLU B 18 16.981 33.151 20.113 1.00 0.30 H new ATOM 0 HG2 GLU B 18 17.747 31.638 22.150 1.00 1.05 H new ATOM 0 HG3 GLU B 18 17.040 32.897 23.145 1.00 1.05 H new ATOM 1579 N LYS B 19 19.875 32.538 22.903 1.00 0.19 N ATOM 1580 CA LYS B 19 20.477 32.480 24.257 1.00 0.20 C ATOM 1581 C LYS B 19 21.847 33.163 24.229 1.00 0.19 C ATOM 1582 O LYS B 19 22.131 34.037 25.024 1.00 0.26 O ATOM 1583 CB LYS B 19 20.620 31.007 24.666 1.00 0.21 C ATOM 1584 CG LYS B 19 19.316 30.511 25.304 1.00 0.29 C ATOM 1585 CD LYS B 19 19.346 28.985 25.416 1.00 0.33 C ATOM 1586 CE LYS B 19 18.144 28.508 26.232 1.00 0.95 C ATOM 1587 NZ LYS B 19 18.310 28.927 27.652 1.00 1.68 N ATOM 0 H LYS B 19 19.789 31.641 22.426 1.00 0.19 H new ATOM 0 HA LYS B 19 19.844 32.995 24.980 1.00 0.20 H new ATOM 0 HB2 LYS B 19 20.861 30.400 23.793 1.00 0.21 H new ATOM 0 HB3 LYS B 19 21.445 30.895 25.370 1.00 0.21 H new ATOM 0 HG2 LYS B 19 19.191 30.956 26.291 1.00 0.29 H new ATOM 0 HG3 LYS B 19 18.463 30.825 24.702 1.00 0.29 H new ATOM 0 HD2 LYS B 19 19.325 28.537 24.423 1.00 0.33 H new ATOM 0 HD3 LYS B 19 20.272 28.663 25.892 1.00 0.33 H new ATOM 0 HE2 LYS B 19 17.224 28.927 25.823 1.00 0.95 H new ATOM 0 HE3 LYS B 19 18.056 27.423 26.170 1.00 0.95 H new ATOM 0 HZ1 LYS B 19 17.756 28.297 28.267 1.00 1.68 H new ATOM 0 HZ2 LYS B 19 19.315 28.872 27.915 1.00 1.68 H new ATOM 0 HZ3 LYS B 19 17.975 29.905 27.767 1.00 1.68 H new ATOM 1601 N PHE B 20 22.694 32.784 23.313 1.00 0.15 N ATOM 1602 CA PHE B 20 24.033 33.419 23.224 1.00 0.15 C ATOM 1603 C PHE B 20 23.914 34.691 22.383 1.00 0.16 C ATOM 1604 O PHE B 20 24.890 35.226 21.899 1.00 0.25 O ATOM 1605 CB PHE B 20 24.995 32.446 22.556 1.00 0.14 C ATOM 1606 CG PHE B 20 25.272 31.289 23.488 1.00 0.13 C ATOM 1607 CD1 PHE B 20 24.285 30.316 23.689 1.00 0.14 C ATOM 1608 CD2 PHE B 20 26.507 31.181 24.146 1.00 0.14 C ATOM 1609 CE1 PHE B 20 24.528 29.237 24.545 1.00 0.14 C ATOM 1610 CE2 PHE B 20 26.748 30.098 25.003 1.00 0.15 C ATOM 1611 CZ PHE B 20 25.758 29.128 25.201 1.00 0.14 C ATOM 0 H PHE B 20 22.513 32.058 22.620 1.00 0.15 H new ATOM 0 HA PHE B 20 24.405 33.670 24.217 1.00 0.15 H new ATOM 0 HB2 PHE B 20 24.568 32.080 21.622 1.00 0.14 H new ATOM 0 HB3 PHE B 20 25.926 32.954 22.304 1.00 0.14 H new ATOM 0 HD1 PHE B 20 23.335 30.399 23.182 1.00 0.14 H new ATOM 0 HD2 PHE B 20 27.270 31.930 23.993 1.00 0.14 H new ATOM 0 HE1 PHE B 20 23.766 28.488 24.699 1.00 0.14 H new ATOM 0 HE2 PHE B 20 27.697 30.012 25.511 1.00 0.15 H new ATOM 0 HZ PHE B 20 25.945 28.294 25.862 1.00 0.14 H new ATOM 1621 N ARG B 21 22.706 35.172 22.222 1.00 0.15 N ATOM 1622 CA ARG B 21 22.452 36.416 21.430 1.00 0.17 C ATOM 1623 C ARG B 21 23.376 36.502 20.210 1.00 0.14 C ATOM 1624 O ARG B 21 23.886 37.558 19.890 1.00 0.18 O ATOM 1625 CB ARG B 21 22.639 37.658 22.315 1.00 0.23 C ATOM 1626 CG ARG B 21 24.047 37.682 22.922 1.00 0.58 C ATOM 1627 CD ARG B 21 24.295 39.028 23.608 1.00 1.16 C ATOM 1628 NE ARG B 21 23.577 39.060 24.913 1.00 1.87 N ATOM 1629 CZ ARG B 21 23.886 39.963 25.804 1.00 2.62 C ATOM 1630 NH1 ARG B 21 24.823 40.836 25.551 1.00 2.94 N ATOM 1631 NH2 ARG B 21 23.259 39.992 26.948 1.00 3.56 N ATOM 0 H ARG B 21 21.867 34.745 22.615 1.00 0.15 H new ATOM 0 HA ARG B 21 21.423 36.378 21.074 1.00 0.17 H new ATOM 0 HB2 ARG B 21 22.476 38.560 21.724 1.00 0.23 H new ATOM 0 HB3 ARG B 21 21.894 37.660 23.111 1.00 0.23 H new ATOM 0 HG2 ARG B 21 24.156 36.871 23.642 1.00 0.58 H new ATOM 0 HG3 ARG B 21 24.791 37.518 22.143 1.00 0.58 H new ATOM 0 HD2 ARG B 21 25.363 39.177 23.765 1.00 1.16 H new ATOM 0 HD3 ARG B 21 23.950 39.842 22.971 1.00 1.16 H new ATOM 0 HE ARG B 21 22.845 38.377 25.110 1.00 1.87 H new ATOM 0 HH11 ARG B 21 25.314 40.813 24.657 1.00 2.94 H new ATOM 0 HH12 ARG B 21 25.064 41.541 26.247 1.00 2.94 H new ATOM 0 HH21 ARG B 21 22.528 39.309 27.146 1.00 3.56 H new ATOM 0 HH22 ARG B 21 23.500 40.697 27.644 1.00 3.56 H new ATOM 1645 N TYR B 22 23.591 35.417 19.512 1.00 0.14 N ATOM 1646 CA TYR B 22 24.474 35.480 18.310 1.00 0.13 C ATOM 1647 C TYR B 22 23.663 36.068 17.128 1.00 0.15 C ATOM 1648 O TYR B 22 22.469 35.857 17.060 1.00 0.16 O ATOM 1649 CB TYR B 22 24.930 34.060 17.927 1.00 0.12 C ATOM 1650 CG TYR B 22 26.125 33.610 18.760 1.00 0.13 C ATOM 1651 CD1 TYR B 22 27.309 34.371 18.802 1.00 0.14 C ATOM 1652 CD2 TYR B 22 26.048 32.412 19.488 1.00 0.14 C ATOM 1653 CE1 TYR B 22 28.397 33.933 19.569 1.00 0.17 C ATOM 1654 CE2 TYR B 22 27.138 31.979 20.252 1.00 0.17 C ATOM 1655 CZ TYR B 22 28.310 32.740 20.293 1.00 0.18 C ATOM 1656 OH TYR B 22 29.384 32.311 21.047 1.00 0.21 O ATOM 0 H TYR B 22 23.198 34.499 19.719 1.00 0.14 H new ATOM 0 HA TYR B 22 25.343 36.101 18.529 1.00 0.13 H new ATOM 0 HB2 TYR B 22 24.105 33.362 18.067 1.00 0.12 H new ATOM 0 HB3 TYR B 22 25.193 34.035 16.869 1.00 0.12 H new ATOM 0 HD1 TYR B 22 27.379 35.292 18.243 1.00 0.14 H new ATOM 0 HD2 TYR B 22 25.144 31.822 19.458 1.00 0.14 H new ATOM 0 HE1 TYR B 22 29.304 34.518 19.601 1.00 0.17 H new ATOM 0 HE2 TYR B 22 27.074 31.057 20.810 1.00 0.17 H new ATOM 0 HH TYR B 22 29.779 31.517 20.631 1.00 0.21 H new ATOM 1666 N PRO B 23 24.319 36.761 16.210 1.00 0.16 N ATOM 1667 CA PRO B 23 23.625 37.323 15.035 1.00 0.18 C ATOM 1668 C PRO B 23 23.000 36.184 14.210 1.00 0.19 C ATOM 1669 O PRO B 23 23.153 35.020 14.524 1.00 0.19 O ATOM 1670 CB PRO B 23 24.719 38.064 14.235 1.00 0.19 C ATOM 1671 CG PRO B 23 26.077 37.772 14.931 1.00 0.17 C ATOM 1672 CD PRO B 23 25.769 37.047 16.260 1.00 0.15 C ATOM 0 HA PRO B 23 22.813 37.997 15.306 1.00 0.18 H new ATOM 0 HB2 PRO B 23 24.736 37.722 13.200 1.00 0.19 H new ATOM 0 HB3 PRO B 23 24.520 39.136 14.214 1.00 0.19 H new ATOM 0 HG2 PRO B 23 26.709 37.154 14.294 1.00 0.17 H new ATOM 0 HG3 PRO B 23 26.620 38.699 15.116 1.00 0.17 H new ATOM 0 HD2 PRO B 23 26.350 36.129 16.353 1.00 0.15 H new ATOM 0 HD3 PRO B 23 26.019 37.671 17.118 1.00 0.15 H new ATOM 1680 N TRP B 24 22.288 36.519 13.169 1.00 0.22 N ATOM 1681 CA TRP B 24 21.634 35.470 12.327 1.00 0.24 C ATOM 1682 C TRP B 24 22.640 34.828 11.356 1.00 0.25 C ATOM 1683 O TRP B 24 22.364 33.800 10.770 1.00 0.34 O ATOM 1684 CB TRP B 24 20.492 36.113 11.531 1.00 0.28 C ATOM 1685 CG TRP B 24 19.934 35.126 10.552 1.00 0.53 C ATOM 1686 CD1 TRP B 24 20.125 35.170 9.214 1.00 1.45 C ATOM 1687 CD2 TRP B 24 19.105 33.956 10.810 1.00 0.35 C ATOM 1688 NE1 TRP B 24 19.465 34.102 8.633 1.00 1.68 N ATOM 1689 CE2 TRP B 24 18.822 33.324 9.576 1.00 0.93 C ATOM 1690 CE3 TRP B 24 18.577 33.387 11.983 1.00 0.96 C ATOM 1691 CZ2 TRP B 24 18.042 32.170 9.507 1.00 0.85 C ATOM 1692 CZ3 TRP B 24 17.791 32.224 11.917 1.00 1.15 C ATOM 1693 CH2 TRP B 24 17.524 31.617 10.682 1.00 0.63 C ATOM 0 H TRP B 24 22.129 37.479 12.862 1.00 0.22 H new ATOM 0 HA TRP B 24 21.249 34.687 12.980 1.00 0.24 H new ATOM 0 HB2 TRP B 24 19.708 36.448 12.210 1.00 0.28 H new ATOM 0 HB3 TRP B 24 20.856 36.995 11.004 1.00 0.28 H new ATOM 0 HD1 TRP B 24 20.699 35.917 8.685 1.00 1.45 H new ATOM 0 HE1 TRP B 24 19.454 33.912 7.631 1.00 1.68 H new ATOM 0 HE3 TRP B 24 18.777 33.847 12.940 1.00 0.96 H new ATOM 0 HZ2 TRP B 24 17.840 31.707 8.553 1.00 0.85 H new ATOM 0 HZ3 TRP B 24 17.390 31.795 12.824 1.00 1.15 H new ATOM 0 HH2 TRP B 24 16.919 30.723 10.638 1.00 0.63 H new ATOM 1704 N GLU B 25 23.786 35.420 11.157 1.00 0.21 N ATOM 1705 CA GLU B 25 24.765 34.821 10.197 1.00 0.24 C ATOM 1706 C GLU B 25 25.482 33.619 10.833 1.00 0.21 C ATOM 1707 O GLU B 25 26.122 32.846 10.147 1.00 0.24 O ATOM 1708 CB GLU B 25 25.798 35.885 9.776 1.00 0.31 C ATOM 1709 CG GLU B 25 26.058 36.850 10.941 1.00 1.20 C ATOM 1710 CD GLU B 25 27.407 37.550 10.743 1.00 1.43 C ATOM 1711 OE1 GLU B 25 27.769 37.784 9.602 1.00 1.86 O ATOM 1712 OE2 GLU B 25 28.054 37.837 11.737 1.00 1.99 O ATOM 0 H GLU B 25 24.087 36.283 11.610 1.00 0.21 H new ATOM 0 HA GLU B 25 24.223 34.474 9.317 1.00 0.24 H new ATOM 0 HB2 GLU B 25 26.729 35.403 9.477 1.00 0.31 H new ATOM 0 HB3 GLU B 25 25.432 36.437 8.910 1.00 0.31 H new ATOM 0 HG2 GLU B 25 25.259 37.589 10.998 1.00 1.20 H new ATOM 0 HG3 GLU B 25 26.056 36.305 11.885 1.00 1.20 H new ATOM 1719 N LEU B 26 25.395 33.452 12.128 1.00 0.16 N ATOM 1720 CA LEU B 26 26.091 32.296 12.782 1.00 0.15 C ATOM 1721 C LEU B 26 25.139 31.114 12.942 1.00 0.15 C ATOM 1722 O LEU B 26 25.292 30.308 13.837 1.00 0.19 O ATOM 1723 CB LEU B 26 26.594 32.708 14.163 1.00 0.13 C ATOM 1724 CG LEU B 26 27.328 34.045 14.082 1.00 0.13 C ATOM 1725 CD1 LEU B 26 28.046 34.299 15.407 1.00 0.14 C ATOM 1726 CD2 LEU B 26 28.355 34.016 12.941 1.00 0.14 C ATOM 0 H LEU B 26 24.876 34.061 12.760 1.00 0.16 H new ATOM 0 HA LEU B 26 26.928 32.002 12.149 1.00 0.15 H new ATOM 0 HB2 LEU B 26 25.755 32.787 14.854 1.00 0.13 H new ATOM 0 HB3 LEU B 26 27.262 31.942 14.558 1.00 0.13 H new ATOM 0 HG LEU B 26 26.609 34.841 13.889 1.00 0.13 H new ATOM 0 HD11 LEU B 26 28.573 35.252 15.358 1.00 0.14 H new ATOM 0 HD12 LEU B 26 27.316 34.329 16.216 1.00 0.14 H new ATOM 0 HD13 LEU B 26 28.761 33.498 15.593 1.00 0.14 H new ATOM 0 HD21 LEU B 26 28.872 34.974 12.893 1.00 0.14 H new ATOM 0 HD22 LEU B 26 29.079 33.222 13.123 1.00 0.14 H new ATOM 0 HD23 LEU B 26 27.844 33.831 11.996 1.00 0.14 H new ATOM 1738 N MET B 27 24.167 30.984 12.087 1.00 0.15 N ATOM 1739 CA MET B 27 23.239 29.832 12.218 1.00 0.17 C ATOM 1740 C MET B 27 23.945 28.511 11.817 1.00 0.14 C ATOM 1741 O MET B 27 23.682 27.495 12.430 1.00 0.19 O ATOM 1742 CB MET B 27 21.976 30.064 11.361 1.00 0.20 C ATOM 1743 CG MET B 27 20.978 30.941 12.129 1.00 0.39 C ATOM 1744 SD MET B 27 20.110 29.942 13.368 1.00 1.31 S ATOM 1745 CE MET B 27 19.163 28.899 12.229 1.00 0.45 C ATOM 0 H MET B 27 23.976 31.618 11.311 1.00 0.15 H new ATOM 0 HA MET B 27 22.936 29.746 13.261 1.00 0.17 H new ATOM 0 HB2 MET B 27 22.247 30.544 10.421 1.00 0.20 H new ATOM 0 HB3 MET B 27 21.516 29.108 11.110 1.00 0.20 H new ATOM 0 HG2 MET B 27 21.502 31.764 12.614 1.00 0.39 H new ATOM 0 HG3 MET B 27 20.261 31.383 11.437 1.00 0.39 H new ATOM 0 HE1 MET B 27 18.120 28.870 12.544 1.00 0.45 H new ATOM 0 HE2 MET B 27 19.226 29.310 11.221 1.00 0.45 H new ATOM 0 HE3 MET B 27 19.572 27.889 12.235 1.00 0.45 H new ATOM 1755 N PRO B 28 24.822 28.528 10.816 1.00 0.09 N ATOM 1756 CA PRO B 28 25.527 27.294 10.399 1.00 0.09 C ATOM 1757 C PRO B 28 26.362 26.726 11.559 1.00 0.09 C ATOM 1758 O PRO B 28 26.527 25.533 11.685 1.00 0.14 O ATOM 1759 CB PRO B 28 26.423 27.735 9.218 1.00 0.10 C ATOM 1760 CG PRO B 28 25.957 29.157 8.815 1.00 0.12 C ATOM 1761 CD PRO B 28 25.182 29.723 10.016 1.00 0.12 C ATOM 0 HA PRO B 28 24.840 26.498 10.110 1.00 0.09 H new ATOM 0 HB2 PRO B 28 27.473 27.740 9.509 1.00 0.10 H new ATOM 0 HB3 PRO B 28 26.328 27.044 8.380 1.00 0.10 H new ATOM 0 HG2 PRO B 28 26.810 29.790 8.572 1.00 0.12 H new ATOM 0 HG3 PRO B 28 25.324 29.120 7.928 1.00 0.12 H new ATOM 0 HD2 PRO B 28 25.793 30.418 10.592 1.00 0.12 H new ATOM 0 HD3 PRO B 28 24.295 30.269 9.695 1.00 0.12 H new ATOM 1769 N LEU B 29 26.889 27.563 12.407 1.00 0.10 N ATOM 1770 CA LEU B 29 27.700 27.040 13.542 1.00 0.09 C ATOM 1771 C LEU B 29 26.759 26.458 14.596 1.00 0.10 C ATOM 1772 O LEU B 29 27.010 25.407 15.150 1.00 0.16 O ATOM 1773 CB LEU B 29 28.542 28.168 14.135 1.00 0.08 C ATOM 1774 CG LEU B 29 29.245 28.912 12.997 1.00 0.09 C ATOM 1775 CD1 LEU B 29 30.138 30.012 13.578 1.00 0.12 C ATOM 1776 CD2 LEU B 29 30.095 27.918 12.184 1.00 0.09 C ATOM 0 H LEU B 29 26.795 28.578 12.365 1.00 0.10 H new ATOM 0 HA LEU B 29 28.373 26.257 13.193 1.00 0.09 H new ATOM 0 HB2 LEU B 29 27.910 28.853 14.700 1.00 0.08 H new ATOM 0 HB3 LEU B 29 29.276 27.764 14.832 1.00 0.08 H new ATOM 0 HG LEU B 29 28.501 29.367 12.342 1.00 0.09 H new ATOM 0 HD11 LEU B 29 30.638 30.541 12.767 1.00 0.12 H new ATOM 0 HD12 LEU B 29 29.528 30.713 14.147 1.00 0.12 H new ATOM 0 HD13 LEU B 29 30.885 29.565 14.235 1.00 0.12 H new ATOM 0 HD21 LEU B 29 30.596 28.446 11.373 1.00 0.09 H new ATOM 0 HD22 LEU B 29 30.840 27.460 12.834 1.00 0.09 H new ATOM 0 HD23 LEU B 29 29.451 27.143 11.769 1.00 0.09 H new ATOM 1788 N MET B 30 25.661 27.113 14.858 1.00 0.10 N ATOM 1789 CA MET B 30 24.698 26.567 15.850 1.00 0.12 C ATOM 1790 C MET B 30 24.109 25.283 15.267 1.00 0.10 C ATOM 1791 O MET B 30 23.611 24.428 15.972 1.00 0.13 O ATOM 1792 CB MET B 30 23.575 27.585 16.088 1.00 0.16 C ATOM 1793 CG MET B 30 24.023 28.628 17.111 1.00 0.19 C ATOM 1794 SD MET B 30 25.399 29.593 16.432 1.00 1.23 S ATOM 1795 CE MET B 30 26.478 29.549 17.886 1.00 0.22 C ATOM 0 H MET B 30 25.392 27.998 14.429 1.00 0.10 H new ATOM 0 HA MET B 30 25.196 26.365 16.798 1.00 0.12 H new ATOM 0 HB2 MET B 30 23.311 28.074 15.150 1.00 0.16 H new ATOM 0 HB3 MET B 30 22.680 27.075 16.445 1.00 0.16 H new ATOM 0 HG2 MET B 30 23.192 29.287 17.361 1.00 0.19 H new ATOM 0 HG3 MET B 30 24.330 28.138 18.035 1.00 0.19 H new ATOM 0 HE1 MET B 30 27.194 30.369 17.832 1.00 0.22 H new ATOM 0 HE2 MET B 30 25.876 29.652 18.789 1.00 0.22 H new ATOM 0 HE3 MET B 30 27.014 28.600 17.913 1.00 0.22 H new ATOM 1805 N TYR B 31 24.168 25.156 13.971 1.00 0.08 N ATOM 1806 CA TYR B 31 23.623 23.946 13.299 1.00 0.08 C ATOM 1807 C TYR B 31 24.574 22.768 13.514 1.00 0.08 C ATOM 1808 O TYR B 31 24.152 21.642 13.694 1.00 0.09 O ATOM 1809 CB TYR B 31 23.488 24.236 11.799 1.00 0.09 C ATOM 1810 CG TYR B 31 23.182 22.965 11.045 1.00 0.09 C ATOM 1811 CD1 TYR B 31 24.228 22.157 10.584 1.00 0.10 C ATOM 1812 CD2 TYR B 31 21.856 22.602 10.803 1.00 0.10 C ATOM 1813 CE1 TYR B 31 23.945 20.980 9.882 1.00 0.11 C ATOM 1814 CE2 TYR B 31 21.571 21.425 10.101 1.00 0.11 C ATOM 1815 CZ TYR B 31 22.615 20.614 9.641 1.00 0.11 C ATOM 1816 OH TYR B 31 22.334 19.455 8.948 1.00 0.13 O ATOM 0 H TYR B 31 24.576 25.848 13.342 1.00 0.08 H new ATOM 0 HA TYR B 31 22.648 23.695 13.717 1.00 0.08 H new ATOM 0 HB2 TYR B 31 22.695 24.965 11.633 1.00 0.09 H new ATOM 0 HB3 TYR B 31 24.411 24.677 11.422 1.00 0.09 H new ATOM 0 HD1 TYR B 31 25.253 22.442 10.770 1.00 0.10 H new ATOM 0 HD2 TYR B 31 21.051 23.229 11.157 1.00 0.10 H new ATOM 0 HE1 TYR B 31 24.751 20.355 9.527 1.00 0.11 H new ATOM 0 HE2 TYR B 31 20.545 21.143 9.914 1.00 0.11 H new ATOM 0 HH TYR B 31 21.363 19.349 8.869 1.00 0.13 H new ATOM 1826 N VAL B 32 25.854 23.012 13.485 1.00 0.08 N ATOM 1827 CA VAL B 32 26.821 21.898 13.675 1.00 0.08 C ATOM 1828 C VAL B 32 26.898 21.518 15.155 1.00 0.08 C ATOM 1829 O VAL B 32 26.805 20.359 15.510 1.00 0.10 O ATOM 1830 CB VAL B 32 28.208 22.326 13.179 1.00 0.08 C ATOM 1831 CG1 VAL B 32 29.214 21.213 13.484 1.00 0.08 C ATOM 1832 CG2 VAL B 32 28.159 22.585 11.661 1.00 0.08 C ATOM 0 H VAL B 32 26.271 23.931 13.338 1.00 0.08 H new ATOM 0 HA VAL B 32 26.484 21.034 13.103 1.00 0.08 H new ATOM 0 HB VAL B 32 28.513 23.242 13.685 1.00 0.08 H new ATOM 0 HG11 VAL B 32 30.203 21.510 13.134 1.00 0.08 H new ATOM 0 HG12 VAL B 32 29.247 21.037 14.559 1.00 0.08 H new ATOM 0 HG13 VAL B 32 28.909 20.298 12.976 1.00 0.08 H new ATOM 0 HG21 VAL B 32 29.146 22.889 11.312 1.00 0.08 H new ATOM 0 HG22 VAL B 32 27.857 21.673 11.146 1.00 0.08 H new ATOM 0 HG23 VAL B 32 27.440 23.376 11.450 1.00 0.08 H new ATOM 1842 N ILE B 33 27.069 22.476 16.023 1.00 0.08 N ATOM 1843 CA ILE B 33 27.153 22.156 17.475 1.00 0.08 C ATOM 1844 C ILE B 33 26.006 21.205 17.860 1.00 0.09 C ATOM 1845 O ILE B 33 26.230 20.165 18.446 1.00 0.10 O ATOM 1846 CB ILE B 33 27.092 23.468 18.262 1.00 0.08 C ATOM 1847 CG1 ILE B 33 28.372 24.260 17.971 1.00 0.09 C ATOM 1848 CG2 ILE B 33 27.005 23.184 19.760 1.00 0.09 C ATOM 1849 CD1 ILE B 33 28.300 25.667 18.578 1.00 0.08 C ATOM 0 H ILE B 33 27.154 23.465 15.790 1.00 0.08 H new ATOM 0 HA ILE B 33 28.090 21.651 17.710 1.00 0.08 H new ATOM 0 HB ILE B 33 26.210 24.035 17.963 1.00 0.08 H new ATOM 0 HG12 ILE B 33 29.233 23.729 18.377 1.00 0.09 H new ATOM 0 HG13 ILE B 33 28.522 24.332 16.894 1.00 0.09 H new ATOM 0 HG21 ILE B 33 26.962 24.126 20.307 1.00 0.09 H new ATOM 0 HG22 ILE B 33 26.107 22.602 19.968 1.00 0.09 H new ATOM 0 HG23 ILE B 33 27.883 22.621 20.075 1.00 0.09 H new ATOM 0 HD11 ILE B 33 29.221 26.206 18.356 1.00 0.08 H new ATOM 0 HD12 ILE B 33 27.453 26.204 18.151 1.00 0.08 H new ATOM 0 HD13 ILE B 33 28.175 25.591 19.658 1.00 0.08 H new ATOM 1861 N LEU B 34 24.787 21.532 17.514 1.00 0.08 N ATOM 1862 CA LEU B 34 23.645 20.622 17.838 1.00 0.09 C ATOM 1863 C LEU B 34 23.842 19.299 17.075 1.00 0.12 C ATOM 1864 O LEU B 34 23.519 18.239 17.567 1.00 0.16 O ATOM 1865 CB LEU B 34 22.325 21.312 17.386 1.00 0.10 C ATOM 1866 CG LEU B 34 21.472 21.926 18.559 1.00 0.10 C ATOM 1867 CD1 LEU B 34 22.285 22.215 19.837 1.00 0.10 C ATOM 1868 CD2 LEU B 34 20.841 23.237 18.074 1.00 0.11 C ATOM 0 H LEU B 34 24.532 22.388 17.022 1.00 0.08 H new ATOM 0 HA LEU B 34 23.599 20.417 18.907 1.00 0.09 H new ATOM 0 HB2 LEU B 34 22.568 22.104 16.678 1.00 0.10 H new ATOM 0 HB3 LEU B 34 21.714 20.584 16.852 1.00 0.10 H new ATOM 0 HG LEU B 34 20.722 21.181 18.824 1.00 0.10 H new ATOM 0 HD11 LEU B 34 21.628 22.636 20.598 1.00 0.10 H new ATOM 0 HD12 LEU B 34 22.722 21.288 20.207 1.00 0.10 H new ATOM 0 HD13 LEU B 34 23.080 22.926 19.610 1.00 0.10 H new ATOM 0 HD21 LEU B 34 20.247 23.674 18.877 1.00 0.11 H new ATOM 0 HD22 LEU B 34 21.627 23.934 17.784 1.00 0.11 H new ATOM 0 HD23 LEU B 34 20.200 23.036 17.216 1.00 0.11 H new ATOM 1880 N LYS B 35 24.364 19.351 15.882 1.00 0.13 N ATOM 1881 CA LYS B 35 24.569 18.093 15.104 1.00 0.17 C ATOM 1882 C LYS B 35 25.455 17.127 15.894 1.00 0.19 C ATOM 1883 O LYS B 35 25.267 15.927 15.854 1.00 0.28 O ATOM 1884 CB LYS B 35 25.241 18.424 13.770 1.00 0.16 C ATOM 1885 CG LYS B 35 25.156 17.213 12.838 1.00 0.19 C ATOM 1886 CD LYS B 35 25.794 17.559 11.491 1.00 0.26 C ATOM 1887 CE LYS B 35 25.767 16.330 10.582 1.00 0.70 C ATOM 1888 NZ LYS B 35 26.534 16.615 9.336 1.00 1.58 N ATOM 0 H LYS B 35 24.658 20.207 15.411 1.00 0.13 H new ATOM 0 HA LYS B 35 23.602 17.624 14.923 1.00 0.17 H new ATOM 0 HB2 LYS B 35 24.755 19.284 13.310 1.00 0.16 H new ATOM 0 HB3 LYS B 35 26.283 18.697 13.934 1.00 0.16 H new ATOM 0 HG2 LYS B 35 25.666 16.360 13.285 1.00 0.19 H new ATOM 0 HG3 LYS B 35 24.115 16.923 12.695 1.00 0.19 H new ATOM 0 HD2 LYS B 35 25.255 18.383 11.023 1.00 0.26 H new ATOM 0 HD3 LYS B 35 26.821 17.893 11.638 1.00 0.26 H new ATOM 0 HE2 LYS B 35 26.198 15.473 11.099 1.00 0.70 H new ATOM 0 HE3 LYS B 35 24.738 16.069 10.336 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 26.515 15.779 8.718 1.00 1.58 H new ATOM 0 HZ2 LYS B 35 26.104 17.422 8.840 1.00 1.58 H new ATOM 0 HZ3 LYS B 35 27.519 16.844 9.579 1.00 1.58 H new ATOM 1902 N ASP B 36 26.425 17.633 16.606 1.00 0.23 N ATOM 1903 CA ASP B 36 27.325 16.736 17.389 1.00 0.28 C ATOM 1904 C ASP B 36 26.722 16.460 18.766 1.00 0.26 C ATOM 1905 O ASP B 36 26.798 15.362 19.280 1.00 0.39 O ATOM 1906 CB ASP B 36 28.683 17.415 17.565 1.00 0.34 C ATOM 1907 CG ASP B 36 29.438 17.404 16.236 1.00 1.23 C ATOM 1908 OD1 ASP B 36 29.379 16.395 15.552 1.00 1.96 O ATOM 1909 OD2 ASP B 36 30.063 18.404 15.924 1.00 1.92 O ATOM 0 H ASP B 36 26.634 18.629 16.680 1.00 0.23 H new ATOM 0 HA ASP B 36 27.444 15.794 16.854 1.00 0.28 H new ATOM 0 HB2 ASP B 36 28.546 18.440 17.909 1.00 0.34 H new ATOM 0 HB3 ASP B 36 29.263 16.897 18.329 1.00 0.34 H new ATOM 1914 N ALA B 37 26.138 17.452 19.373 1.00 0.21 N ATOM 1915 CA ALA B 37 25.547 17.258 20.725 1.00 0.21 C ATOM 1916 C ALA B 37 24.211 16.533 20.616 1.00 0.20 C ATOM 1917 O ALA B 37 23.289 16.809 21.358 1.00 0.24 O ATOM 1918 CB ALA B 37 25.311 18.623 21.360 1.00 0.22 C ATOM 0 H ALA B 37 26.044 18.393 18.990 1.00 0.21 H new ATOM 0 HA ALA B 37 26.231 16.665 21.332 1.00 0.21 H new ATOM 0 HB1 ALA B 37 24.878 18.493 22.352 1.00 0.22 H new ATOM 0 HB2 ALA B 37 26.259 19.154 21.445 1.00 0.22 H new ATOM 0 HB3 ALA B 37 24.627 19.200 20.738 1.00 0.22 H new ATOM 1924 N ASP B 38 24.081 15.620 19.699 1.00 0.20 N ATOM 1925 CA ASP B 38 22.782 14.911 19.567 1.00 0.21 C ATOM 1926 C ASP B 38 21.679 15.964 19.440 1.00 0.18 C ATOM 1927 O ASP B 38 20.508 15.693 19.613 1.00 0.21 O ATOM 1928 CB ASP B 38 22.549 14.049 20.817 1.00 0.28 C ATOM 1929 CG ASP B 38 21.582 12.907 20.490 1.00 1.00 C ATOM 1930 OD1 ASP B 38 20.626 13.153 19.773 1.00 1.86 O ATOM 1931 OD2 ASP B 38 21.814 11.806 20.963 1.00 1.59 O ATOM 0 H ASP B 38 24.808 15.336 19.042 1.00 0.20 H new ATOM 0 HA ASP B 38 22.780 14.264 18.690 1.00 0.21 H new ATOM 0 HB2 ASP B 38 23.497 13.644 21.172 1.00 0.28 H new ATOM 0 HB3 ASP B 38 22.143 14.662 21.622 1.00 0.28 H new ATOM 1936 N ALA B 39 22.074 17.172 19.152 1.00 0.14 N ATOM 1937 CA ALA B 39 21.107 18.288 19.017 1.00 0.14 C ATOM 1938 C ALA B 39 20.438 18.548 20.366 1.00 0.15 C ATOM 1939 O ALA B 39 19.450 19.248 20.456 1.00 0.18 O ATOM 1940 CB ALA B 39 20.056 17.949 17.965 1.00 0.16 C ATOM 0 H ALA B 39 23.048 17.435 19.002 1.00 0.14 H new ATOM 0 HA ALA B 39 21.637 19.186 18.700 1.00 0.14 H new ATOM 0 HB1 ALA B 39 19.352 18.776 17.875 1.00 0.16 H new ATOM 0 HB2 ALA B 39 20.543 17.781 17.005 1.00 0.16 H new ATOM 0 HB3 ALA B 39 19.521 17.047 18.263 1.00 0.16 H new ATOM 1946 N ASN B 40 20.977 17.997 21.419 1.00 0.15 N ATOM 1947 CA ASN B 40 20.380 18.225 22.764 1.00 0.18 C ATOM 1948 C ASN B 40 20.905 19.558 23.301 1.00 0.15 C ATOM 1949 O ASN B 40 21.996 19.641 23.830 1.00 0.15 O ATOM 1950 CB ASN B 40 20.784 17.074 23.703 1.00 0.23 C ATOM 1951 CG ASN B 40 19.696 16.846 24.759 1.00 0.91 C ATOM 1952 OD1 ASN B 40 19.598 17.672 25.764 1.00 1.90 O flip ATOM 1953 ND2 ASN B 40 18.930 15.908 24.668 1.00 1.32 N flip ATOM 0 H ASN B 40 21.804 17.400 21.406 1.00 0.15 H new ATOM 0 HA ASN B 40 19.292 18.257 22.702 1.00 0.18 H new ATOM 0 HB2 ASN B 40 20.939 16.162 23.127 1.00 0.23 H new ATOM 0 HB3 ASN B 40 21.731 17.307 24.190 1.00 0.23 H new ATOM 0 HD21 ASN B 40 19.006 15.262 23.882 1.00 1.32 H new ATOM 0 HD22 ASN B 40 18.211 15.766 25.377 1.00 1.32 H new ATOM 1960 N ILE B 41 20.144 20.601 23.151 1.00 0.15 N ATOM 1961 CA ILE B 41 20.597 21.934 23.631 1.00 0.15 C ATOM 1962 C ILE B 41 21.182 21.822 25.042 1.00 0.15 C ATOM 1963 O ILE B 41 22.247 22.336 25.321 1.00 0.14 O ATOM 1964 CB ILE B 41 19.410 22.893 23.611 1.00 0.19 C ATOM 1965 CG1 ILE B 41 19.014 23.115 22.142 1.00 0.21 C ATOM 1966 CG2 ILE B 41 19.812 24.215 24.279 1.00 0.21 C ATOM 1967 CD1 ILE B 41 17.818 24.061 22.033 1.00 0.24 C ATOM 0 H ILE B 41 19.222 20.589 22.714 1.00 0.15 H new ATOM 0 HA ILE B 41 21.380 22.315 22.976 1.00 0.15 H new ATOM 0 HB ILE B 41 18.562 22.484 24.161 1.00 0.19 H new ATOM 0 HG12 ILE B 41 19.860 23.528 21.592 1.00 0.21 H new ATOM 0 HG13 ILE B 41 18.769 22.159 21.679 1.00 0.21 H new ATOM 0 HG21 ILE B 41 18.965 24.902 24.266 1.00 0.21 H new ATOM 0 HG22 ILE B 41 20.110 24.026 25.310 1.00 0.21 H new ATOM 0 HG23 ILE B 41 20.647 24.658 23.736 1.00 0.21 H new ATOM 0 HD11 ILE B 41 17.559 24.201 20.983 1.00 0.24 H new ATOM 0 HD12 ILE B 41 16.967 23.634 22.563 1.00 0.24 H new ATOM 0 HD13 ILE B 41 18.074 25.024 22.475 1.00 0.24 H new ATOM 1979 N GLU B 42 20.503 21.159 25.932 1.00 0.17 N ATOM 1980 CA GLU B 42 21.033 21.022 27.315 1.00 0.17 C ATOM 1981 C GLU B 42 22.454 20.462 27.263 1.00 0.16 C ATOM 1982 O GLU B 42 23.252 20.707 28.138 1.00 0.18 O ATOM 1983 CB GLU B 42 20.136 20.079 28.121 1.00 0.20 C ATOM 1984 CG GLU B 42 18.738 20.688 28.249 1.00 0.30 C ATOM 1985 CD GLU B 42 17.786 19.658 28.860 1.00 1.03 C ATOM 1986 OE1 GLU B 42 18.060 19.204 29.958 1.00 1.78 O ATOM 1987 OE2 GLU B 42 16.797 19.341 28.219 1.00 1.65 O ATOM 0 H GLU B 42 19.605 20.706 25.763 1.00 0.17 H new ATOM 0 HA GLU B 42 21.047 22.000 27.796 1.00 0.17 H new ATOM 0 HB2 GLU B 42 20.077 19.108 27.630 1.00 0.20 H new ATOM 0 HB3 GLU B 42 20.563 19.911 29.110 1.00 0.20 H new ATOM 0 HG2 GLU B 42 18.774 21.581 28.874 1.00 0.30 H new ATOM 0 HG3 GLU B 42 18.374 20.999 27.270 1.00 0.30 H new ATOM 1994 N GLU B 43 22.783 19.715 26.243 1.00 0.16 N ATOM 1995 CA GLU B 43 24.167 19.161 26.138 1.00 0.16 C ATOM 1996 C GLU B 43 25.046 20.160 25.380 1.00 0.14 C ATOM 1997 O GLU B 43 26.160 20.447 25.770 1.00 0.20 O ATOM 1998 CB GLU B 43 24.139 17.832 25.383 1.00 0.18 C ATOM 1999 CG GLU B 43 25.507 17.152 25.490 1.00 0.30 C ATOM 2000 CD GLU B 43 25.710 16.632 26.915 1.00 1.21 C ATOM 2001 OE1 GLU B 43 24.984 15.733 27.306 1.00 1.89 O ATOM 2002 OE2 GLU B 43 26.590 17.142 27.590 1.00 1.96 O ATOM 0 H GLU B 43 22.156 19.464 25.479 1.00 0.16 H new ATOM 0 HA GLU B 43 24.570 18.994 27.137 1.00 0.16 H new ATOM 0 HB2 GLU B 43 23.366 17.184 25.796 1.00 0.18 H new ATOM 0 HB3 GLU B 43 23.887 18.002 24.336 1.00 0.18 H new ATOM 0 HG2 GLU B 43 25.572 16.329 24.779 1.00 0.30 H new ATOM 0 HG3 GLU B 43 26.297 17.858 25.233 1.00 0.30 H new ATOM 2009 N ALA B 44 24.549 20.680 24.289 1.00 0.12 N ATOM 2010 CA ALA B 44 25.347 21.655 23.483 1.00 0.12 C ATOM 2011 C ALA B 44 25.596 22.938 24.290 1.00 0.12 C ATOM 2012 O ALA B 44 26.705 23.430 24.361 1.00 0.14 O ATOM 2013 CB ALA B 44 24.578 21.996 22.192 1.00 0.13 C ATOM 0 H ALA B 44 23.622 20.472 23.919 1.00 0.12 H new ATOM 0 HA ALA B 44 26.309 21.208 23.233 1.00 0.12 H new ATOM 0 HB1 ALA B 44 25.156 22.707 21.601 1.00 0.13 H new ATOM 0 HB2 ALA B 44 24.419 21.087 21.612 1.00 0.13 H new ATOM 0 HB3 ALA B 44 23.614 22.436 22.448 1.00 0.13 H new ATOM 2019 N SER B 45 24.575 23.494 24.878 1.00 0.12 N ATOM 2020 CA SER B 45 24.758 24.756 25.655 1.00 0.16 C ATOM 2021 C SER B 45 25.925 24.606 26.635 1.00 0.15 C ATOM 2022 O SER B 45 26.516 25.577 27.063 1.00 0.16 O ATOM 2023 CB SER B 45 23.475 25.068 26.429 1.00 0.19 C ATOM 2024 OG SER B 45 23.801 25.759 27.628 1.00 0.82 O ATOM 0 H SER B 45 23.622 23.132 24.856 1.00 0.12 H new ATOM 0 HA SER B 45 24.977 25.571 24.965 1.00 0.16 H new ATOM 0 HB2 SER B 45 22.807 25.674 25.817 1.00 0.19 H new ATOM 0 HB3 SER B 45 22.944 24.145 26.662 1.00 0.19 H new ATOM 0 HG SER B 45 22.980 25.960 28.123 1.00 0.82 H new ATOM 2030 N ARG B 46 26.254 23.401 27.004 1.00 0.17 N ATOM 2031 CA ARG B 46 27.373 23.193 27.968 1.00 0.20 C ATOM 2032 C ARG B 46 28.707 23.256 27.215 1.00 0.17 C ATOM 2033 O ARG B 46 29.719 23.647 27.762 1.00 0.23 O ATOM 2034 CB ARG B 46 27.212 21.820 28.644 1.00 0.24 C ATOM 2035 CG ARG B 46 26.266 21.923 29.853 1.00 0.84 C ATOM 2036 CD ARG B 46 24.953 22.613 29.448 1.00 1.21 C ATOM 2037 NE ARG B 46 25.112 24.100 29.550 1.00 1.63 N ATOM 2038 CZ ARG B 46 25.378 24.687 30.685 1.00 2.08 C ATOM 2039 NH1 ARG B 46 25.386 24.001 31.796 1.00 2.50 N ATOM 2040 NH2 ARG B 46 25.604 25.972 30.714 1.00 2.80 N ATOM 0 H ARG B 46 25.797 22.549 26.680 1.00 0.17 H new ATOM 0 HA ARG B 46 27.356 23.971 28.731 1.00 0.20 H new ATOM 0 HB2 ARG B 46 26.819 21.099 27.927 1.00 0.24 H new ATOM 0 HB3 ARG B 46 28.185 21.450 28.967 1.00 0.24 H new ATOM 0 HG2 ARG B 46 26.056 20.928 30.244 1.00 0.84 H new ATOM 0 HG3 ARG B 46 26.748 22.485 30.653 1.00 0.84 H new ATOM 0 HD2 ARG B 46 24.684 22.335 28.429 1.00 1.21 H new ATOM 0 HD3 ARG B 46 24.141 22.279 30.094 1.00 1.21 H new ATOM 0 HE ARG B 46 25.010 24.669 28.709 1.00 1.63 H new ATOM 0 HH11 ARG B 46 25.184 23.001 31.780 1.00 2.50 H new ATOM 0 HH12 ARG B 46 25.595 24.465 32.680 1.00 2.50 H new ATOM 0 HH21 ARG B 46 25.572 26.515 29.851 1.00 2.80 H new ATOM 0 HH22 ARG B 46 25.812 26.433 31.600 1.00 2.80 H new ATOM 2054 N ARG B 47 28.716 22.881 25.966 1.00 0.13 N ATOM 2055 CA ARG B 47 29.986 22.930 25.187 1.00 0.12 C ATOM 2056 C ARG B 47 30.347 24.389 24.914 1.00 0.11 C ATOM 2057 O ARG B 47 31.400 24.864 25.291 1.00 0.12 O ATOM 2058 CB ARG B 47 29.801 22.197 23.858 1.00 0.15 C ATOM 2059 CG ARG B 47 29.214 20.808 24.113 1.00 0.32 C ATOM 2060 CD ARG B 47 29.128 20.040 22.792 1.00 0.54 C ATOM 2061 NE ARG B 47 28.929 18.593 23.078 1.00 0.95 N ATOM 2062 CZ ARG B 47 28.555 17.784 22.127 1.00 1.20 C ATOM 2063 NH1 ARG B 47 28.354 18.244 20.922 1.00 1.81 N ATOM 2064 NH2 ARG B 47 28.383 16.515 22.380 1.00 1.62 N ATOM 0 H ARG B 47 27.902 22.544 25.452 1.00 0.13 H new ATOM 0 HA ARG B 47 30.783 22.451 25.755 1.00 0.12 H new ATOM 0 HB2 ARG B 47 29.140 22.768 23.206 1.00 0.15 H new ATOM 0 HB3 ARG B 47 30.758 22.109 23.344 1.00 0.15 H new ATOM 0 HG2 ARG B 47 29.836 20.263 24.823 1.00 0.32 H new ATOM 0 HG3 ARG B 47 28.224 20.896 24.560 1.00 0.32 H new ATOM 0 HD2 ARG B 47 28.303 20.420 22.190 1.00 0.54 H new ATOM 0 HD3 ARG B 47 30.040 20.186 22.213 1.00 0.54 H new ATOM 0 HE ARG B 47 29.086 18.234 24.020 1.00 0.95 H new ATOM 0 HH11 ARG B 47 28.490 19.236 20.725 1.00 1.81 H new ATOM 0 HH12 ARG B 47 28.061 17.612 20.177 1.00 1.81 H new ATOM 0 HH21 ARG B 47 28.541 16.157 23.322 1.00 1.62 H new ATOM 0 HH22 ARG B 47 28.090 15.882 21.636 1.00 1.62 H new ATOM 2078 N ILE B 48 29.470 25.103 24.267 1.00 0.10 N ATOM 2079 CA ILE B 48 29.734 26.540 23.966 1.00 0.09 C ATOM 2080 C ILE B 48 30.263 27.230 25.224 1.00 0.10 C ATOM 2081 O ILE B 48 31.340 27.794 25.230 1.00 0.10 O ATOM 2082 CB ILE B 48 28.432 27.194 23.510 1.00 0.10 C ATOM 2083 CG1 ILE B 48 27.832 26.345 22.383 1.00 0.10 C ATOM 2084 CG2 ILE B 48 28.725 28.606 23.002 1.00 0.10 C ATOM 2085 CD1 ILE B 48 26.642 27.067 21.753 1.00 0.10 C ATOM 0 H ILE B 48 28.574 24.751 23.930 1.00 0.10 H new ATOM 0 HA ILE B 48 30.479 26.631 23.175 1.00 0.09 H new ATOM 0 HB ILE B 48 27.727 27.257 24.339 1.00 0.10 H new ATOM 0 HG12 ILE B 48 28.589 26.147 21.625 1.00 0.10 H new ATOM 0 HG13 ILE B 48 27.514 25.379 22.776 1.00 0.10 H new ATOM 0 HG21 ILE B 48 27.797 29.075 22.676 1.00 0.10 H new ATOM 0 HG22 ILE B 48 29.168 29.197 23.804 1.00 0.10 H new ATOM 0 HG23 ILE B 48 29.420 28.554 22.164 1.00 0.10 H new ATOM 0 HD11 ILE B 48 26.225 26.453 20.954 1.00 0.10 H new ATOM 0 HD12 ILE B 48 25.879 27.242 22.512 1.00 0.10 H new ATOM 0 HD13 ILE B 48 26.971 28.022 21.343 1.00 0.10 H new ATOM 2097 N GLU B 49 29.524 27.173 26.296 1.00 0.10 N ATOM 2098 CA GLU B 49 29.995 27.806 27.562 1.00 0.11 C ATOM 2099 C GLU B 49 31.428 27.362 27.830 1.00 0.11 C ATOM 2100 O GLU B 49 32.344 28.159 27.878 1.00 0.12 O ATOM 2101 CB GLU B 49 29.122 27.327 28.713 1.00 0.13 C ATOM 2102 CG GLU B 49 27.766 28.034 28.669 1.00 0.14 C ATOM 2103 CD GLU B 49 27.918 29.469 29.178 1.00 0.16 C ATOM 2104 OE1 GLU B 49 28.214 29.632 30.351 1.00 1.07 O ATOM 2105 OE2 GLU B 49 27.737 30.381 28.388 1.00 1.10 O ATOM 0 H GLU B 49 28.614 26.716 26.352 1.00 0.10 H new ATOM 0 HA GLU B 49 29.941 28.891 27.474 1.00 0.11 H new ATOM 0 HB2 GLU B 49 28.981 26.248 28.649 1.00 0.13 H new ATOM 0 HB3 GLU B 49 29.616 27.528 29.664 1.00 0.13 H new ATOM 0 HG2 GLU B 49 27.380 28.038 27.650 1.00 0.14 H new ATOM 0 HG3 GLU B 49 27.043 27.495 29.282 1.00 0.14 H new ATOM 2112 N GLU B 50 31.626 26.081 27.984 1.00 0.12 N ATOM 2113 CA GLU B 50 32.998 25.565 28.225 1.00 0.12 C ATOM 2114 C GLU B 50 33.900 26.147 27.149 1.00 0.11 C ATOM 2115 O GLU B 50 35.097 26.219 27.292 1.00 0.11 O ATOM 2116 CB GLU B 50 33.001 24.036 28.135 1.00 0.14 C ATOM 2117 CG GLU B 50 34.365 23.501 28.574 1.00 0.17 C ATOM 2118 CD GLU B 50 34.392 21.979 28.413 1.00 1.14 C ATOM 2119 OE1 GLU B 50 33.728 21.310 29.187 1.00 1.97 O ATOM 2120 OE2 GLU B 50 35.075 21.510 27.518 1.00 1.78 O ATOM 0 H GLU B 50 30.894 25.371 27.953 1.00 0.12 H new ATOM 0 HA GLU B 50 33.348 25.851 29.217 1.00 0.12 H new ATOM 0 HB2 GLU B 50 32.216 23.622 28.768 1.00 0.14 H new ATOM 0 HB3 GLU B 50 32.787 23.721 27.114 1.00 0.14 H new ATOM 0 HG2 GLU B 50 35.155 23.955 27.976 1.00 0.17 H new ATOM 0 HG3 GLU B 50 34.556 23.771 29.613 1.00 0.17 H new ATOM 2127 N GLY B 51 33.311 26.579 26.072 1.00 0.10 N ATOM 2128 CA GLY B 51 34.115 27.184 24.968 1.00 0.09 C ATOM 2129 C GLY B 51 34.395 28.648 25.308 1.00 0.09 C ATOM 2130 O GLY B 51 35.530 29.071 25.399 1.00 0.10 O ATOM 0 H GLY B 51 32.306 26.541 25.905 1.00 0.10 H new ATOM 0 HA2 GLY B 51 35.051 26.640 24.841 1.00 0.09 H new ATOM 0 HA3 GLY B 51 33.574 27.112 24.024 1.00 0.09 H new ATOM 2134 N GLN B 52 33.362 29.420 25.519 1.00 0.10 N ATOM 2135 CA GLN B 52 33.553 30.857 25.880 1.00 0.11 C ATOM 2136 C GLN B 52 34.590 30.947 26.989 1.00 0.11 C ATOM 2137 O GLN B 52 35.506 31.744 26.943 1.00 0.13 O ATOM 2138 CB GLN B 52 32.224 31.429 26.372 1.00 0.13 C ATOM 2139 CG GLN B 52 31.166 31.241 25.283 1.00 0.19 C ATOM 2140 CD GLN B 52 31.460 32.187 24.119 1.00 0.54 C ATOM 2141 OE1 GLN B 52 32.323 33.036 24.215 1.00 1.37 O ATOM 2142 NE2 GLN B 52 30.773 32.076 23.016 1.00 0.74 N ATOM 0 H GLN B 52 32.390 29.117 25.457 1.00 0.10 H new ATOM 0 HA GLN B 52 33.891 31.423 25.012 1.00 0.11 H new ATOM 0 HB2 GLN B 52 31.914 30.926 27.288 1.00 0.13 H new ATOM 0 HB3 GLN B 52 32.335 32.487 26.610 1.00 0.13 H new ATOM 0 HG2 GLN B 52 31.166 30.208 24.935 1.00 0.19 H new ATOM 0 HG3 GLN B 52 30.173 31.441 25.687 1.00 0.19 H new ATOM 0 HE21 GLN B 52 30.048 31.363 22.936 1.00 0.74 H new ATOM 0 HE22 GLN B 52 30.960 32.703 22.233 1.00 0.74 H new ATOM 2151 N TYR B 53 34.458 30.119 27.980 1.00 0.11 N ATOM 2152 CA TYR B 53 35.446 30.137 29.092 1.00 0.13 C ATOM 2153 C TYR B 53 36.845 29.868 28.515 1.00 0.13 C ATOM 2154 O TYR B 53 37.786 30.578 28.803 1.00 0.16 O ATOM 2155 CB TYR B 53 35.074 29.069 30.140 1.00 0.14 C ATOM 2156 CG TYR B 53 36.278 28.747 31.001 1.00 0.17 C ATOM 2157 CD1 TYR B 53 37.232 27.846 30.530 1.00 0.17 C ATOM 2158 CD2 TYR B 53 36.446 29.356 32.250 1.00 0.22 C ATOM 2159 CE1 TYR B 53 38.358 27.544 31.296 1.00 0.22 C ATOM 2160 CE2 TYR B 53 37.576 29.057 33.024 1.00 0.26 C ATOM 2161 CZ TYR B 53 38.534 28.151 32.546 1.00 0.25 C ATOM 2162 OH TYR B 53 39.647 27.857 33.307 1.00 0.30 O ATOM 0 H TYR B 53 33.711 29.430 28.071 1.00 0.11 H new ATOM 0 HA TYR B 53 35.441 31.110 29.582 1.00 0.13 H new ATOM 0 HB2 TYR B 53 34.256 29.429 30.764 1.00 0.14 H new ATOM 0 HB3 TYR B 53 34.721 28.166 29.642 1.00 0.14 H new ATOM 0 HD1 TYR B 53 37.098 27.379 29.566 1.00 0.17 H new ATOM 0 HD2 TYR B 53 35.708 30.054 32.616 1.00 0.22 H new ATOM 0 HE1 TYR B 53 39.092 26.844 30.926 1.00 0.22 H new ATOM 0 HE2 TYR B 53 37.709 29.524 33.989 1.00 0.26 H new ATOM 0 HH TYR B 53 39.614 28.365 34.145 1.00 0.30 H new ATOM 2172 N VAL B 54 36.993 28.854 27.704 1.00 0.11 N ATOM 2173 CA VAL B 54 38.340 28.567 27.125 1.00 0.12 C ATOM 2174 C VAL B 54 38.874 29.836 26.465 1.00 0.12 C ATOM 2175 O VAL B 54 39.865 30.402 26.883 1.00 0.13 O ATOM 2176 CB VAL B 54 38.250 27.461 26.057 1.00 0.11 C ATOM 2177 CG1 VAL B 54 39.641 27.269 25.439 1.00 0.13 C ATOM 2178 CG2 VAL B 54 37.765 26.120 26.672 1.00 0.12 C ATOM 0 H VAL B 54 36.249 28.218 27.419 1.00 0.11 H new ATOM 0 HA VAL B 54 39.002 28.236 27.925 1.00 0.12 H new ATOM 0 HB VAL B 54 37.528 27.760 25.297 1.00 0.11 H new ATOM 0 HG11 VAL B 54 39.597 26.489 24.679 1.00 0.13 H new ATOM 0 HG12 VAL B 54 39.968 28.203 24.981 1.00 0.13 H new ATOM 0 HG13 VAL B 54 40.348 26.979 26.217 1.00 0.13 H new ATOM 0 HG21 VAL B 54 37.712 25.360 25.892 1.00 0.12 H new ATOM 0 HG22 VAL B 54 38.465 25.800 27.444 1.00 0.12 H new ATOM 0 HG23 VAL B 54 36.777 26.258 27.112 1.00 0.12 H new ATOM 2188 N VAL B 55 38.221 30.281 25.432 1.00 0.11 N ATOM 2189 CA VAL B 55 38.677 31.508 24.728 1.00 0.11 C ATOM 2190 C VAL B 55 38.749 32.666 25.724 1.00 0.14 C ATOM 2191 O VAL B 55 39.788 33.259 25.928 1.00 0.17 O ATOM 2192 CB VAL B 55 37.680 31.846 23.613 1.00 0.11 C ATOM 2193 CG1 VAL B 55 38.233 32.979 22.735 1.00 0.13 C ATOM 2194 CG2 VAL B 55 37.442 30.597 22.755 1.00 0.10 C ATOM 0 H VAL B 55 37.385 29.845 25.042 1.00 0.11 H new ATOM 0 HA VAL B 55 39.664 31.343 24.296 1.00 0.11 H new ATOM 0 HB VAL B 55 36.740 32.173 24.057 1.00 0.11 H new ATOM 0 HG11 VAL B 55 37.517 33.211 21.947 1.00 0.13 H new ATOM 0 HG12 VAL B 55 38.399 33.866 23.347 1.00 0.13 H new ATOM 0 HG13 VAL B 55 39.176 32.665 22.288 1.00 0.13 H new ATOM 0 HG21 VAL B 55 36.734 30.831 21.960 1.00 0.10 H new ATOM 0 HG22 VAL B 55 38.385 30.272 22.316 1.00 0.10 H new ATOM 0 HG23 VAL B 55 37.038 29.799 23.378 1.00 0.10 H new ATOM 2204 N ASN B 56 37.649 32.992 26.342 1.00 0.16 N ATOM 2205 CA ASN B 56 37.644 34.116 27.321 1.00 0.20 C ATOM 2206 C ASN B 56 38.752 33.913 28.357 1.00 0.22 C ATOM 2207 O ASN B 56 39.515 34.813 28.647 1.00 0.31 O ATOM 2208 CB ASN B 56 36.291 34.162 28.034 1.00 0.26 C ATOM 2209 CG ASN B 56 36.211 35.421 28.898 1.00 0.52 C ATOM 2210 OD1 ASN B 56 37.216 36.252 28.909 1.00 1.35 O flip ATOM 2211 ND2 ASN B 56 35.225 35.651 29.569 1.00 0.91 N flip ATOM 0 H ASN B 56 36.750 32.528 26.212 1.00 0.16 H new ATOM 0 HA ASN B 56 37.816 35.052 26.790 1.00 0.20 H new ATOM 0 HB2 ASN B 56 35.483 34.158 27.303 1.00 0.26 H new ATOM 0 HB3 ASN B 56 36.164 33.274 28.654 1.00 0.26 H new ATOM 0 HD21 ASN B 56 34.439 35.001 29.560 1.00 0.91 H new ATOM 0 HD22 ASN B 56 35.183 36.494 30.141 1.00 0.91 H new