USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 842 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 22 TYR OH : rot 83:sc= 0.676 USER MOD Set 1.2: B 52 GLN :FLIP amide:sc= -0.924 F(o=-1.7,f=-0.25) USER MOD Set 2.1: A 22 TYR OH : rot 0:sc= -0.999 USER MOD Set 2.2: A 52 GLN : amide:sc= -0.734 X(o=-1.7,f=-1.6!) USER MOD Set 3.1: A 13 CYS SG : rot -143:sc= -7.67! USER MOD Set 3.2: A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= -1.99! C(o=-3.1!,f=-2!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= -0.0637 (180deg=-0.463) USER MOD Single : A 30 MET CE :methyl 173:sc= -3 (180deg=-3.29!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -153:sc=-0.00246 (180deg=-0.54) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.0407 F(o=-1.4!,f=-0.041) USER MOD Single : A 45 SER OG : rot 180:sc= -0.487 USER MOD Single : A 53 TYR OH : rot 4:sc= -0.0386 USER MOD Single : A 56 ASN : amide:sc= -2.71! C(o=-2.7!,f=-7.6!) USER MOD Single : A 58 TYR OH : rot -101:sc= 0.199 USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 CYS SG : rot 64:sc= -1.56 USER MOD Single : B 14 GLN :FLIP amide:sc= -2.83 F(o=-4!,f=-2.8) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ -158:sc= -0.232 (180deg=-0.844) USER MOD Single : B 27 MET CE :methyl -138:sc= -0.401 (180deg=-3.63!) USER MOD Single : B 30 MET CE :methyl 173:sc= -3.04 (180deg=-3.16!) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 40 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : B 45 SER OG : rot -64:sc= -0.0401 USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 56 ASN : amide:sc= -2.4! C(o=-2.4!,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 106 N PHE A 9 44.141 22.594 17.851 1.00 44.59 N ATOM 107 CA PHE A 9 42.681 22.848 17.782 1.00 42.14 C ATOM 108 C PHE A 9 42.439 24.350 17.643 1.00 41.09 C ATOM 109 O PHE A 9 41.809 24.807 16.710 1.00 40.10 O ATOM 110 CB PHE A 9 42.024 22.330 19.073 1.00 39.48 C ATOM 111 CG PHE A 9 40.579 22.029 18.814 1.00 35.93 C ATOM 112 CD1 PHE A 9 39.640 23.058 18.889 1.00 33.89 C ATOM 113 CD2 PHE A 9 40.180 20.729 18.496 1.00 34.84 C ATOM 114 CE1 PHE A 9 38.299 22.788 18.646 1.00 31.72 C ATOM 115 CE2 PHE A 9 38.834 20.461 18.252 1.00 33.98 C ATOM 116 CZ PHE A 9 37.896 21.494 18.328 1.00 33.09 C ATOM 0 HA PHE A 9 42.250 22.334 16.923 1.00 42.14 H new ATOM 0 HB2 PHE A 9 42.537 21.433 19.420 1.00 39.48 H new ATOM 0 HB3 PHE A 9 42.115 23.075 19.864 1.00 39.48 H new ATOM 0 HD1 PHE A 9 39.955 24.061 19.135 1.00 33.89 H new ATOM 0 HD2 PHE A 9 40.910 19.935 18.439 1.00 34.84 H new ATOM 0 HE1 PHE A 9 37.569 23.582 18.704 1.00 31.72 H new ATOM 0 HE2 PHE A 9 38.517 19.458 18.005 1.00 33.98 H new ATOM 0 HZ PHE A 9 36.853 21.287 18.139 1.00 33.09 H new ATOM 126 N LEU A 10 42.945 25.120 18.562 1.00 40.61 N ATOM 127 CA LEU A 10 42.752 26.591 18.474 1.00 40.95 C ATOM 128 C LEU A 10 43.409 27.088 17.192 1.00 41.08 C ATOM 129 O LEU A 10 42.903 27.970 16.526 1.00 37.24 O ATOM 130 CB LEU A 10 43.389 27.273 19.684 1.00 41.66 C ATOM 131 CG LEU A 10 42.838 26.660 20.977 1.00 43.24 C ATOM 132 CD1 LEU A 10 43.432 27.396 22.171 1.00 42.19 C ATOM 133 CD2 LEU A 10 41.311 26.790 21.016 1.00 41.41 C ATOM 0 H LEU A 10 43.482 24.796 19.367 1.00 40.61 H new ATOM 0 HA LEU A 10 41.688 26.827 18.463 1.00 40.95 H new ATOM 0 HB2 LEU A 10 44.472 27.158 19.649 1.00 41.66 H new ATOM 0 HB3 LEU A 10 43.181 28.343 19.661 1.00 41.66 H new ATOM 0 HG LEU A 10 43.107 25.604 21.014 1.00 43.24 H new ATOM 0 HD11 LEU A 10 43.044 26.965 23.094 1.00 42.19 H new ATOM 0 HD12 LEU A 10 44.518 27.300 22.154 1.00 42.19 H new ATOM 0 HD13 LEU A 10 43.160 28.450 22.121 1.00 42.19 H new ATOM 0 HD21 LEU A 10 40.932 26.351 21.939 1.00 41.41 H new ATOM 0 HD22 LEU A 10 41.034 27.844 20.975 1.00 41.41 H new ATOM 0 HD23 LEU A 10 40.879 26.268 20.162 1.00 41.41 H new ATOM 145 N ASP A 11 44.523 26.516 16.823 1.00 41.30 N ATOM 146 CA ASP A 11 45.183 26.951 15.566 1.00 41.83 C ATOM 147 C ASP A 11 44.168 26.805 14.435 1.00 40.90 C ATOM 148 O ASP A 11 43.810 27.768 13.789 1.00 39.80 O ATOM 149 CB ASP A 11 46.414 26.079 15.287 1.00 44.60 C ATOM 150 CG ASP A 11 47.322 26.782 14.275 1.00 47.53 C ATOM 151 OD1 ASP A 11 47.919 27.781 14.638 1.00 48.56 O ATOM 152 OD2 ASP A 11 47.403 26.308 13.154 1.00 48.01 O ATOM 0 H ASP A 11 44.999 25.773 17.335 1.00 41.30 H new ATOM 0 HA ASP A 11 45.515 27.986 15.648 1.00 41.83 H new ATOM 0 HB2 ASP A 11 46.959 25.894 16.213 1.00 44.60 H new ATOM 0 HB3 ASP A 11 46.104 25.108 14.900 1.00 44.60 H new ATOM 157 N TYR A 12 43.667 25.613 14.208 1.00 39.29 N ATOM 158 CA TYR A 12 42.646 25.450 13.134 1.00 38.27 C ATOM 159 C TYR A 12 41.537 26.455 13.392 1.00 34.82 C ATOM 160 O TYR A 12 41.161 27.228 12.533 1.00 33.76 O ATOM 161 CB TYR A 12 42.012 24.054 13.165 1.00 42.68 C ATOM 162 CG TYR A 12 43.043 22.943 13.162 1.00 45.94 C ATOM 163 CD1 TYR A 12 44.216 23.023 12.390 1.00 47.36 C ATOM 164 CD2 TYR A 12 42.798 21.804 13.934 1.00 48.31 C ATOM 165 CE1 TYR A 12 45.129 21.960 12.401 1.00 48.74 C ATOM 166 CE2 TYR A 12 43.704 20.752 13.945 1.00 49.78 C ATOM 167 CZ TYR A 12 44.873 20.824 13.179 1.00 49.89 C ATOM 168 OH TYR A 12 45.772 19.777 13.192 1.00 52.12 O ATOM 0 H TYR A 12 43.918 24.762 14.712 1.00 39.29 H new ATOM 0 HA TYR A 12 43.132 25.597 12.170 1.00 38.27 H new ATOM 0 HB2 TYR A 12 41.388 23.963 14.054 1.00 42.68 H new ATOM 0 HB3 TYR A 12 41.356 23.938 12.302 1.00 42.68 H new ATOM 0 HD1 TYR A 12 44.412 23.900 11.791 1.00 47.36 H new ATOM 0 HD2 TYR A 12 41.897 21.742 14.526 1.00 48.31 H new ATOM 0 HE1 TYR A 12 46.031 22.017 11.809 1.00 48.74 H new ATOM 0 HE2 TYR A 12 43.506 19.877 14.546 1.00 49.78 H new ATOM 0 HH TYR A 12 45.442 19.069 13.784 1.00 52.12 H new ATOM 178 N CYS A 13 41.017 26.441 14.590 1.00 32.26 N ATOM 179 CA CYS A 13 39.933 27.386 14.959 1.00 30.43 C ATOM 180 C CYS A 13 40.304 28.771 14.436 1.00 30.74 C ATOM 181 O CYS A 13 39.494 29.461 13.861 1.00 28.86 O ATOM 182 CB CYS A 13 39.795 27.409 16.486 1.00 30.34 C ATOM 183 SG CYS A 13 38.118 27.901 16.948 1.00 24.58 S ATOM 0 H CYS A 13 41.303 25.806 15.335 1.00 32.26 H new ATOM 0 HA CYS A 13 38.982 27.078 14.523 1.00 30.43 H new ATOM 0 HB2 CYS A 13 40.019 26.424 16.895 1.00 30.34 H new ATOM 0 HB3 CYS A 13 40.518 28.104 16.914 1.00 30.34 H new ATOM 0 HG CYS A 13 38.162 28.641 18.016 1.00 24.58 H new ATOM 189 N GLN A 14 41.542 29.156 14.607 1.00 32.92 N ATOM 190 CA GLN A 14 41.991 30.475 14.097 1.00 34.93 C ATOM 191 C GLN A 14 42.000 30.421 12.569 1.00 35.74 C ATOM 192 O GLN A 14 41.484 31.287 11.901 1.00 35.15 O ATOM 193 CB GLN A 14 43.400 30.765 14.615 1.00 36.23 C ATOM 194 CG GLN A 14 43.759 32.229 14.349 1.00 40.72 C ATOM 195 CD GLN A 14 44.098 32.424 12.872 1.00 42.88 C ATOM 196 OE1 GLN A 14 44.774 31.506 12.245 1.00 45.84 O flip ATOM 197 NE2 GLN A 14 43.743 33.425 12.283 1.00 44.23 N flip ATOM 0 H GLN A 14 42.260 28.608 15.080 1.00 32.92 H new ATOM 0 HA GLN A 14 41.320 31.264 14.437 1.00 34.93 H new ATOM 0 HB2 GLN A 14 43.455 30.556 15.683 1.00 36.23 H new ATOM 0 HB3 GLN A 14 44.120 30.110 14.125 1.00 36.23 H new ATOM 0 HG2 GLN A 14 42.925 32.873 14.627 1.00 40.72 H new ATOM 0 HG3 GLN A 14 44.608 32.522 14.967 1.00 40.72 H new ATOM 0 HE21 GLN A 14 43.213 34.145 12.774 1.00 44.23 H new ATOM 0 HE22 GLN A 14 43.975 33.546 11.297 1.00 44.23 H new ATOM 206 N LYS A 15 42.561 29.392 12.006 1.00 35.66 N ATOM 207 CA LYS A 15 42.564 29.278 10.523 1.00 36.27 C ATOM 208 C LYS A 15 41.117 29.362 10.045 1.00 34.97 C ATOM 209 O LYS A 15 40.747 30.220 9.279 1.00 34.84 O ATOM 210 CB LYS A 15 43.111 27.912 10.128 1.00 40.22 C ATOM 211 CG LYS A 15 44.528 27.697 10.689 1.00 44.18 C ATOM 212 CD LYS A 15 45.600 28.262 9.736 1.00 47.52 C ATOM 213 CE LYS A 15 46.929 27.521 9.953 1.00 50.10 C ATOM 214 NZ LYS A 15 46.985 26.334 9.053 1.00 50.42 N ATOM 0 H LYS A 15 43.016 28.627 12.505 1.00 35.66 H new ATOM 0 HA LYS A 15 43.174 30.068 10.085 1.00 36.27 H new ATOM 0 HB2 LYS A 15 42.448 27.131 10.499 1.00 40.22 H new ATOM 0 HB3 LYS A 15 43.130 27.825 9.042 1.00 40.22 H new ATOM 0 HG2 LYS A 15 44.613 28.180 11.662 1.00 44.18 H new ATOM 0 HG3 LYS A 15 44.702 26.632 10.845 1.00 44.18 H new ATOM 0 HD2 LYS A 15 45.275 28.151 8.701 1.00 47.52 H new ATOM 0 HD3 LYS A 15 45.734 29.329 9.915 1.00 47.52 H new ATOM 0 HE2 LYS A 15 47.767 28.187 9.748 1.00 50.10 H new ATOM 0 HE3 LYS A 15 47.018 27.207 10.993 1.00 50.10 H new ATOM 0 HZ1 LYS A 15 47.883 25.831 9.198 1.00 50.42 H new ATOM 0 HZ2 LYS A 15 46.192 25.697 9.269 1.00 50.42 H new ATOM 0 HZ3 LYS A 15 46.918 26.646 8.063 1.00 50.42 H new ATOM 228 N LEU A 16 40.286 28.470 10.509 1.00 31.52 N ATOM 229 CA LEU A 16 38.856 28.496 10.098 1.00 30.64 C ATOM 230 C LEU A 16 38.336 29.924 10.272 1.00 29.20 C ATOM 231 O LEU A 16 37.593 30.438 9.460 1.00 30.83 O ATOM 232 CB LEU A 16 38.079 27.502 10.983 1.00 29.49 C ATOM 233 CG LEU A 16 36.879 26.913 10.226 1.00 29.11 C ATOM 234 CD1 LEU A 16 37.356 26.146 8.977 1.00 29.81 C ATOM 235 CD2 LEU A 16 36.118 25.963 11.162 1.00 25.98 C ATOM 0 H LEU A 16 40.537 27.723 11.156 1.00 31.52 H new ATOM 0 HA LEU A 16 38.730 28.203 9.056 1.00 30.64 H new ATOM 0 HB2 LEU A 16 38.742 26.698 11.302 1.00 29.49 H new ATOM 0 HB3 LEU A 16 37.733 28.006 11.885 1.00 29.49 H new ATOM 0 HG LEU A 16 36.223 27.721 9.904 1.00 29.11 H new ATOM 0 HD11 LEU A 16 36.494 25.735 8.451 1.00 29.81 H new ATOM 0 HD12 LEU A 16 37.894 26.826 8.316 1.00 29.81 H new ATOM 0 HD13 LEU A 16 38.018 25.334 9.279 1.00 29.81 H new ATOM 0 HD21 LEU A 16 35.264 25.539 10.634 1.00 25.98 H new ATOM 0 HD22 LEU A 16 36.781 25.160 11.483 1.00 25.98 H new ATOM 0 HD23 LEU A 16 35.768 26.515 12.034 1.00 25.98 H new ATOM 247 N LEU A 17 38.773 30.575 11.308 1.00 27.96 N ATOM 248 CA LEU A 17 38.371 31.991 11.536 1.00 28.93 C ATOM 249 C LEU A 17 38.828 32.792 10.303 1.00 30.06 C ATOM 250 O LEU A 17 38.190 33.732 9.872 1.00 30.41 O ATOM 251 CB LEU A 17 39.104 32.503 12.794 1.00 24.89 C ATOM 252 CG LEU A 17 38.295 33.587 13.534 1.00 25.03 C ATOM 253 CD1 LEU A 17 37.150 32.953 14.360 1.00 21.31 C ATOM 254 CD2 LEU A 17 39.232 34.400 14.479 1.00 20.22 C ATOM 0 H LEU A 17 39.397 30.186 12.015 1.00 27.96 H new ATOM 0 HA LEU A 17 37.295 32.093 11.679 1.00 28.93 H new ATOM 0 HB2 LEU A 17 39.293 31.668 13.469 1.00 24.89 H new ATOM 0 HB3 LEU A 17 40.075 32.907 12.508 1.00 24.89 H new ATOM 0 HG LEU A 17 37.860 34.254 12.790 1.00 25.03 H new ATOM 0 HD11 LEU A 17 36.594 33.738 14.873 1.00 21.31 H new ATOM 0 HD12 LEU A 17 36.480 32.409 13.695 1.00 21.31 H new ATOM 0 HD13 LEU A 17 37.569 32.266 15.095 1.00 21.31 H new ATOM 0 HD21 LEU A 17 38.652 35.163 14.998 1.00 20.22 H new ATOM 0 HD22 LEU A 17 39.683 33.729 15.209 1.00 20.22 H new ATOM 0 HD23 LEU A 17 40.016 34.877 13.891 1.00 20.22 H new ATOM 266 N GLU A 18 39.956 32.404 9.753 1.00 32.20 N ATOM 267 CA GLU A 18 40.526 33.095 8.559 1.00 35.35 C ATOM 268 C GLU A 18 39.917 32.512 7.279 1.00 35.74 C ATOM 269 O GLU A 18 39.678 33.221 6.327 1.00 35.74 O ATOM 270 CB GLU A 18 42.073 32.918 8.591 1.00 37.07 C ATOM 271 CG GLU A 18 42.571 31.940 7.510 1.00 39.76 C ATOM 272 CD GLU A 18 44.063 31.673 7.711 1.00 41.67 C ATOM 273 OE1 GLU A 18 44.569 32.016 8.767 1.00 43.93 O ATOM 274 OE2 GLU A 18 44.675 31.130 6.806 1.00 43.25 O ATOM 0 H GLU A 18 40.514 31.620 10.092 1.00 32.20 H new ATOM 0 HA GLU A 18 40.288 34.159 8.575 1.00 35.35 H new ATOM 0 HB2 GLU A 18 42.551 33.887 8.449 1.00 37.07 H new ATOM 0 HB3 GLU A 18 42.375 32.555 9.573 1.00 37.07 H new ATOM 0 HG2 GLU A 18 42.013 31.005 7.565 1.00 39.76 H new ATOM 0 HG3 GLU A 18 42.396 32.358 6.518 1.00 39.76 H new ATOM 281 N LYS A 19 39.671 31.233 7.240 1.00 37.19 N ATOM 282 CA LYS A 19 39.080 30.644 6.009 1.00 36.85 C ATOM 283 C LYS A 19 37.747 31.341 5.734 1.00 36.69 C ATOM 284 O LYS A 19 37.340 31.510 4.602 1.00 36.88 O ATOM 285 CB LYS A 19 38.874 29.147 6.197 1.00 36.86 C ATOM 286 CG LYS A 19 38.854 28.473 4.823 1.00 40.15 C ATOM 287 CD LYS A 19 38.285 27.085 4.977 1.00 41.50 C ATOM 288 CE LYS A 19 38.396 26.324 3.655 1.00 44.93 C ATOM 289 NZ LYS A 19 37.723 27.101 2.576 1.00 44.88 N ATOM 0 H LYS A 19 39.852 30.576 7.999 1.00 37.19 H new ATOM 0 HA LYS A 19 39.750 30.788 5.161 1.00 36.85 H new ATOM 0 HB2 LYS A 19 39.674 28.730 6.810 1.00 36.86 H new ATOM 0 HB3 LYS A 19 37.938 28.958 6.723 1.00 36.86 H new ATOM 0 HG2 LYS A 19 38.251 29.054 4.125 1.00 40.15 H new ATOM 0 HG3 LYS A 19 39.862 28.425 4.410 1.00 40.15 H new ATOM 0 HD2 LYS A 19 38.820 26.549 5.761 1.00 41.50 H new ATOM 0 HD3 LYS A 19 37.241 27.143 5.286 1.00 41.50 H new ATOM 0 HE2 LYS A 19 39.444 26.163 3.402 1.00 44.93 H new ATOM 0 HE3 LYS A 19 37.937 25.340 3.750 1.00 44.93 H new ATOM 0 HZ1 LYS A 19 37.526 26.475 1.769 1.00 44.88 H new ATOM 0 HZ2 LYS A 19 36.829 27.493 2.936 1.00 44.88 H new ATOM 0 HZ3 LYS A 19 38.343 27.878 2.269 1.00 44.88 H new ATOM 303 N PHE A 20 37.076 31.757 6.778 1.00 34.99 N ATOM 304 CA PHE A 20 35.775 32.464 6.634 1.00 34.93 C ATOM 305 C PHE A 20 35.955 33.908 7.113 1.00 34.32 C ATOM 306 O PHE A 20 35.033 34.699 7.107 1.00 35.01 O ATOM 307 CB PHE A 20 34.749 31.760 7.516 1.00 34.20 C ATOM 308 CG PHE A 20 34.317 30.473 6.860 1.00 33.79 C ATOM 309 CD1 PHE A 20 35.049 29.302 7.079 1.00 32.30 C ATOM 310 CD2 PHE A 20 33.196 30.453 6.022 1.00 34.75 C ATOM 311 CE1 PHE A 20 34.661 28.109 6.461 1.00 34.86 C ATOM 312 CE2 PHE A 20 32.810 29.262 5.401 1.00 35.66 C ATOM 313 CZ PHE A 20 33.543 28.089 5.620 1.00 35.69 C ATOM 0 H PHE A 20 37.385 31.632 7.742 1.00 34.99 H new ATOM 0 HA PHE A 20 35.440 32.458 5.597 1.00 34.93 H new ATOM 0 HB2 PHE A 20 35.178 31.554 8.497 1.00 34.20 H new ATOM 0 HB3 PHE A 20 33.886 32.407 7.675 1.00 34.20 H new ATOM 0 HD1 PHE A 20 35.914 29.319 7.725 1.00 32.30 H new ATOM 0 HD2 PHE A 20 32.630 31.357 5.855 1.00 34.75 H new ATOM 0 HE1 PHE A 20 35.224 27.204 6.633 1.00 34.86 H new ATOM 0 HE2 PHE A 20 31.947 29.246 4.752 1.00 35.66 H new ATOM 0 HZ PHE A 20 33.245 27.169 5.140 1.00 35.69 H new ATOM 323 N ARG A 21 37.145 34.247 7.531 1.00 34.35 N ATOM 324 CA ARG A 21 37.415 35.627 8.019 1.00 34.08 C ATOM 325 C ARG A 21 36.406 36.010 9.100 1.00 33.06 C ATOM 326 O ARG A 21 35.990 37.148 9.191 1.00 31.60 O ATOM 327 CB ARG A 21 37.314 36.619 6.858 1.00 37.64 C ATOM 328 CG ARG A 21 38.368 36.284 5.783 1.00 41.19 C ATOM 329 CD ARG A 21 37.841 35.216 4.815 1.00 45.12 C ATOM 330 NE ARG A 21 38.659 35.239 3.570 1.00 48.87 N ATOM 331 CZ ARG A 21 38.597 34.246 2.727 1.00 50.17 C ATOM 332 NH1 ARG A 21 37.817 33.229 2.973 1.00 52.38 N ATOM 333 NH2 ARG A 21 39.313 34.270 1.636 1.00 50.69 N ATOM 0 H ARG A 21 37.948 33.619 7.555 1.00 34.35 H new ATOM 0 HA ARG A 21 38.421 35.658 8.439 1.00 34.08 H new ATOM 0 HB2 ARG A 21 36.315 36.582 6.423 1.00 37.64 H new ATOM 0 HB3 ARG A 21 37.465 37.635 7.223 1.00 37.64 H new ATOM 0 HG2 ARG A 21 38.628 37.186 5.229 1.00 41.19 H new ATOM 0 HG3 ARG A 21 39.281 35.929 6.261 1.00 41.19 H new ATOM 0 HD2 ARG A 21 37.890 34.231 5.279 1.00 45.12 H new ATOM 0 HD3 ARG A 21 36.794 35.406 4.580 1.00 45.12 H new ATOM 0 HE ARG A 21 39.269 36.033 3.377 1.00 48.87 H new ATOM 0 HH11 ARG A 21 37.256 33.211 3.825 1.00 52.38 H new ATOM 0 HH12 ARG A 21 37.768 32.452 2.314 1.00 52.38 H new ATOM 0 HH21 ARG A 21 39.921 35.066 1.443 1.00 50.69 H new ATOM 0 HH22 ARG A 21 39.264 33.493 0.977 1.00 50.69 H new ATOM 347 N TYR A 22 36.010 35.082 9.927 1.00 30.22 N ATOM 348 CA TYR A 22 35.037 35.423 10.995 1.00 29.11 C ATOM 349 C TYR A 22 35.744 36.330 12.030 1.00 27.15 C ATOM 350 O TYR A 22 36.947 36.258 12.164 1.00 25.96 O ATOM 351 CB TYR A 22 34.589 34.124 11.683 1.00 27.09 C ATOM 352 CG TYR A 22 33.463 33.449 10.909 1.00 27.40 C ATOM 353 CD1 TYR A 22 32.260 34.127 10.644 1.00 26.95 C ATOM 354 CD2 TYR A 22 33.629 32.134 10.449 1.00 25.13 C ATOM 355 CE1 TYR A 22 31.240 33.493 9.925 1.00 26.07 C ATOM 356 CE2 TYR A 22 32.606 31.502 9.733 1.00 24.89 C ATOM 357 CZ TYR A 22 31.413 32.182 9.469 1.00 24.53 C ATOM 358 OH TYR A 22 30.406 31.559 8.760 1.00 21.93 O ATOM 0 H TYR A 22 36.317 34.110 9.908 1.00 30.22 H new ATOM 0 HA TYR A 22 34.172 35.938 10.577 1.00 29.11 H new ATOM 0 HB2 TYR A 22 35.436 33.443 11.766 1.00 27.09 H new ATOM 0 HB3 TYR A 22 34.256 34.343 12.697 1.00 27.09 H new ATOM 0 HD1 TYR A 22 32.123 35.139 10.996 1.00 26.95 H new ATOM 0 HD2 TYR A 22 34.550 31.607 10.648 1.00 25.13 H new ATOM 0 HE1 TYR A 22 30.318 34.017 9.722 1.00 26.07 H new ATOM 0 HE2 TYR A 22 32.738 30.488 9.384 1.00 24.89 H new ATOM 0 HH TYR A 22 29.646 32.170 8.666 1.00 21.93 H new ATOM 368 N PRO A 23 34.999 37.144 12.754 1.00 25.95 N ATOM 369 CA PRO A 23 35.601 38.013 13.785 1.00 26.49 C ATOM 370 C PRO A 23 36.355 37.157 14.819 1.00 26.35 C ATOM 371 O PRO A 23 36.327 35.943 14.780 1.00 24.48 O ATOM 372 CB PRO A 23 34.406 38.753 14.435 1.00 27.06 C ATOM 373 CG PRO A 23 33.117 38.302 13.691 1.00 29.61 C ATOM 374 CD PRO A 23 33.535 37.282 12.607 1.00 27.83 C ATOM 0 HA PRO A 23 36.326 38.714 13.372 1.00 26.49 H new ATOM 0 HB2 PRO A 23 34.339 38.515 15.497 1.00 27.06 H new ATOM 0 HB3 PRO A 23 34.536 39.833 14.358 1.00 27.06 H new ATOM 0 HG2 PRO A 23 32.410 37.852 14.388 1.00 29.61 H new ATOM 0 HG3 PRO A 23 32.617 39.158 13.238 1.00 29.61 H new ATOM 0 HD2 PRO A 23 33.032 36.326 12.751 1.00 27.83 H new ATOM 0 HD3 PRO A 23 33.270 37.635 11.610 1.00 27.83 H new ATOM 382 N TRP A 24 37.024 37.794 15.742 1.00 23.75 N ATOM 383 CA TRP A 24 37.784 37.046 16.790 1.00 24.21 C ATOM 384 C TRP A 24 36.826 36.573 17.884 1.00 24.68 C ATOM 385 O TRP A 24 37.170 35.753 18.712 1.00 22.18 O ATOM 386 CB TRP A 24 38.839 37.977 17.394 1.00 24.39 C ATOM 387 CG TRP A 24 39.611 37.277 18.474 1.00 26.00 C ATOM 388 CD1 TRP A 24 39.557 37.596 19.789 1.00 27.56 C ATOM 389 CD2 TRP A 24 40.561 36.172 18.363 1.00 24.99 C ATOM 390 NE1 TRP A 24 40.412 36.763 20.489 1.00 24.44 N ATOM 391 CE2 TRP A 24 41.054 35.869 19.656 1.00 27.17 C ATOM 392 CE3 TRP A 24 41.041 35.409 17.282 1.00 27.07 C ATOM 393 CZ2 TRP A 24 41.988 34.852 19.864 1.00 26.88 C ATOM 394 CZ3 TRP A 24 41.978 34.386 17.491 1.00 28.86 C ATOM 395 CH2 TRP A 24 42.454 34.110 18.778 1.00 27.85 C ATOM 0 H TRP A 24 37.078 38.810 15.817 1.00 23.75 H new ATOM 0 HA TRP A 24 38.269 36.177 16.345 1.00 24.21 H new ATOM 0 HB2 TRP A 24 39.521 38.316 16.614 1.00 24.39 H new ATOM 0 HB3 TRP A 24 38.356 38.865 17.803 1.00 24.39 H new ATOM 0 HD1 TRP A 24 38.946 38.374 20.221 1.00 27.56 H new ATOM 0 HE1 TRP A 24 40.551 36.805 21.499 1.00 24.44 H new ATOM 0 HE3 TRP A 24 40.685 35.613 16.283 1.00 27.07 H new ATOM 0 HZ2 TRP A 24 42.348 34.641 20.860 1.00 26.88 H new ATOM 0 HZ3 TRP A 24 42.335 33.807 16.652 1.00 28.86 H new ATOM 0 HH2 TRP A 24 43.180 33.325 18.930 1.00 27.85 H new ATOM 406 N GLU A 25 35.630 37.097 17.907 1.00 21.18 N ATOM 407 CA GLU A 25 34.655 36.695 18.961 1.00 25.10 C ATOM 408 C GLU A 25 33.972 35.362 18.603 1.00 23.53 C ATOM 409 O GLU A 25 33.322 34.763 19.434 1.00 22.15 O ATOM 410 CB GLU A 25 33.616 37.812 19.151 1.00 30.80 C ATOM 411 CG GLU A 25 32.693 37.932 17.915 1.00 38.77 C ATOM 412 CD GLU A 25 32.567 39.399 17.475 1.00 43.31 C ATOM 413 OE1 GLU A 25 32.619 40.261 18.336 1.00 46.36 O ATOM 414 OE2 GLU A 25 32.419 39.630 16.287 1.00 45.94 O ATOM 0 H GLU A 25 35.286 37.787 17.240 1.00 21.18 H new ATOM 0 HA GLU A 25 35.190 36.545 19.899 1.00 25.10 H new ATOM 0 HB2 GLU A 25 33.016 37.608 20.038 1.00 30.80 H new ATOM 0 HB3 GLU A 25 34.125 38.761 19.322 1.00 30.80 H new ATOM 0 HG2 GLU A 25 33.093 37.334 17.096 1.00 38.77 H new ATOM 0 HG3 GLU A 25 31.707 37.531 18.150 1.00 38.77 H new ATOM 421 N LEU A 26 34.111 34.882 17.384 1.00 21.26 N ATOM 422 CA LEU A 26 33.465 33.575 17.016 1.00 20.65 C ATOM 423 C LEU A 26 34.438 32.426 17.219 1.00 20.00 C ATOM 424 O LEU A 26 34.242 31.340 16.711 1.00 16.59 O ATOM 425 CB LEU A 26 33.018 33.595 15.558 1.00 23.25 C ATOM 426 CG LEU A 26 32.196 34.856 15.267 1.00 26.24 C ATOM 427 CD1 LEU A 26 31.431 34.655 13.965 1.00 29.07 C ATOM 428 CD2 LEU A 26 31.192 35.124 16.396 1.00 26.56 C ATOM 0 H LEU A 26 34.638 35.333 16.636 1.00 21.26 H new ATOM 0 HA LEU A 26 32.598 33.434 17.661 1.00 20.65 H new ATOM 0 HB2 LEU A 26 33.889 33.562 14.904 1.00 23.25 H new ATOM 0 HB3 LEU A 26 32.423 32.708 15.341 1.00 23.25 H new ATOM 0 HG LEU A 26 32.873 35.707 15.190 1.00 26.24 H new ATOM 0 HD11 LEU A 26 30.842 35.546 13.748 1.00 29.07 H new ATOM 0 HD12 LEU A 26 32.136 34.479 13.152 1.00 29.07 H new ATOM 0 HD13 LEU A 26 30.767 33.796 14.062 1.00 29.07 H new ATOM 0 HD21 LEU A 26 30.620 36.023 16.168 1.00 26.56 H new ATOM 0 HD22 LEU A 26 30.513 34.276 16.488 1.00 26.56 H new ATOM 0 HD23 LEU A 26 31.729 35.263 17.335 1.00 26.56 H new ATOM 440 N MET A 27 35.468 32.633 17.982 1.00 18.56 N ATOM 441 CA MET A 27 36.408 31.527 18.229 1.00 17.95 C ATOM 442 C MET A 27 35.643 30.345 18.879 1.00 17.26 C ATOM 443 O MET A 27 35.877 29.214 18.503 1.00 15.06 O ATOM 444 CB MET A 27 37.562 32.003 19.139 1.00 20.02 C ATOM 445 CG MET A 27 38.721 32.598 18.325 1.00 18.07 C ATOM 446 SD MET A 27 40.236 32.389 19.279 1.00 11.26 S ATOM 447 CE MET A 27 40.631 30.735 18.683 1.00 20.89 C ATOM 0 H MET A 27 35.694 33.516 18.440 1.00 18.56 H new ATOM 0 HA MET A 27 36.840 31.193 17.285 1.00 17.95 H new ATOM 0 HB2 MET A 27 37.188 32.750 19.839 1.00 20.02 H new ATOM 0 HB3 MET A 27 37.927 31.164 19.732 1.00 20.02 H new ATOM 0 HG2 MET A 27 38.806 32.097 17.361 1.00 18.07 H new ATOM 0 HG3 MET A 27 38.541 33.654 18.121 1.00 18.07 H new ATOM 0 HE1 MET A 27 41.554 30.391 19.150 1.00 20.89 H new ATOM 0 HE2 MET A 27 39.820 30.053 18.937 1.00 20.89 H new ATOM 0 HE3 MET A 27 40.759 30.759 17.601 1.00 20.89 H new ATOM 457 N PRO A 28 34.742 30.609 19.825 1.00 16.29 N ATOM 458 CA PRO A 28 33.976 29.522 20.468 1.00 17.09 C ATOM 459 C PRO A 28 33.156 28.775 19.409 1.00 15.81 C ATOM 460 O PRO A 28 32.962 27.588 19.496 1.00 16.73 O ATOM 461 CB PRO A 28 33.073 30.234 21.506 1.00 16.95 C ATOM 462 CG PRO A 28 33.596 31.686 21.618 1.00 18.75 C ATOM 463 CD PRO A 28 34.410 31.959 20.344 1.00 16.75 C ATOM 0 HA PRO A 28 34.608 28.775 20.949 1.00 17.09 H new ATOM 0 HB2 PRO A 28 32.031 30.220 21.188 1.00 16.95 H new ATOM 0 HB3 PRO A 28 33.118 29.729 22.471 1.00 16.95 H new ATOM 0 HG2 PRO A 28 32.769 32.390 21.707 1.00 18.75 H new ATOM 0 HG3 PRO A 28 34.215 31.807 22.507 1.00 18.75 H new ATOM 0 HD2 PRO A 28 33.833 32.533 19.619 1.00 16.75 H new ATOM 0 HD3 PRO A 28 35.310 32.534 20.562 1.00 16.75 H new ATOM 471 N LEU A 29 32.685 29.455 18.402 1.00 15.35 N ATOM 472 CA LEU A 29 31.896 28.754 17.350 1.00 15.54 C ATOM 473 C LEU A 29 32.855 27.993 16.435 1.00 15.13 C ATOM 474 O LEU A 29 32.700 26.807 16.221 1.00 14.57 O ATOM 475 CB LEU A 29 31.083 29.772 16.551 1.00 15.26 C ATOM 476 CG LEU A 29 30.335 30.693 17.523 1.00 13.96 C ATOM 477 CD1 LEU A 29 29.434 31.644 16.731 1.00 15.02 C ATOM 478 CD2 LEU A 29 29.476 29.849 18.481 1.00 15.96 C ATOM 0 H LEU A 29 32.810 30.457 18.261 1.00 15.35 H new ATOM 0 HA LEU A 29 31.205 28.048 17.810 1.00 15.54 H new ATOM 0 HB2 LEU A 29 31.741 30.358 15.909 1.00 15.26 H new ATOM 0 HB3 LEU A 29 30.376 29.260 15.899 1.00 15.26 H new ATOM 0 HG LEU A 29 31.056 31.270 18.101 1.00 13.96 H new ATOM 0 HD11 LEU A 29 28.902 32.299 17.420 1.00 15.02 H new ATOM 0 HD12 LEU A 29 30.043 32.245 16.056 1.00 15.02 H new ATOM 0 HD13 LEU A 29 28.714 31.065 16.152 1.00 15.02 H new ATOM 0 HD21 LEU A 29 28.946 30.507 19.170 1.00 15.96 H new ATOM 0 HD22 LEU A 29 28.754 29.268 17.907 1.00 15.96 H new ATOM 0 HD23 LEU A 29 30.118 29.173 19.046 1.00 15.96 H new ATOM 490 N MET A 30 33.863 28.641 15.915 1.00 15.06 N ATOM 491 CA MET A 30 34.827 27.907 15.055 1.00 12.45 C ATOM 492 C MET A 30 35.377 26.743 15.875 1.00 12.90 C ATOM 493 O MET A 30 35.686 25.687 15.361 1.00 14.81 O ATOM 494 CB MET A 30 35.989 28.826 14.660 1.00 15.01 C ATOM 495 CG MET A 30 35.540 29.894 13.660 1.00 12.65 C ATOM 496 SD MET A 30 34.892 29.121 12.151 1.00 8.44 S ATOM 497 CE MET A 30 33.163 29.619 12.338 1.00 27.75 C ATOM 0 H MET A 30 34.057 29.634 16.048 1.00 15.06 H new ATOM 0 HA MET A 30 34.332 27.558 14.149 1.00 12.45 H new ATOM 0 HB2 MET A 30 36.394 29.306 15.551 1.00 15.01 H new ATOM 0 HB3 MET A 30 36.793 28.232 14.225 1.00 15.01 H new ATOM 0 HG2 MET A 30 34.773 30.523 14.111 1.00 12.65 H new ATOM 0 HG3 MET A 30 36.379 30.543 13.411 1.00 12.65 H new ATOM 0 HE1 MET A 30 32.607 29.347 11.441 1.00 27.75 H new ATOM 0 HE2 MET A 30 32.730 29.113 13.201 1.00 27.75 H new ATOM 0 HE3 MET A 30 33.109 30.698 12.485 1.00 27.75 H new ATOM 507 N TYR A 31 35.494 26.943 17.161 1.00 13.07 N ATOM 508 CA TYR A 31 36.017 25.870 18.048 1.00 15.35 C ATOM 509 C TYR A 31 35.072 24.662 18.008 1.00 16.32 C ATOM 510 O TYR A 31 35.466 23.560 17.682 1.00 15.86 O ATOM 511 CB TYR A 31 36.108 26.402 19.483 1.00 14.82 C ATOM 512 CG TYR A 31 36.471 25.278 20.425 1.00 17.46 C ATOM 513 CD1 TYR A 31 35.470 24.443 20.937 1.00 20.04 C ATOM 514 CD2 TYR A 31 37.807 25.074 20.790 1.00 19.91 C ATOM 515 CE1 TYR A 31 35.802 23.404 21.811 1.00 21.64 C ATOM 516 CE2 TYR A 31 38.139 24.032 21.662 1.00 22.38 C ATOM 517 CZ TYR A 31 37.137 23.197 22.173 1.00 23.93 C ATOM 518 OH TYR A 31 37.468 22.172 23.035 1.00 30.09 O ATOM 0 H TYR A 31 35.247 27.811 17.636 1.00 13.07 H new ATOM 0 HA TYR A 31 37.006 25.564 17.707 1.00 15.35 H new ATOM 0 HB2 TYR A 31 36.856 27.193 19.540 1.00 14.82 H new ATOM 0 HB3 TYR A 31 35.156 26.842 19.778 1.00 14.82 H new ATOM 0 HD1 TYR A 31 34.439 24.602 20.656 1.00 20.04 H new ATOM 0 HD2 TYR A 31 38.580 25.720 20.399 1.00 19.91 H new ATOM 0 HE1 TYR A 31 35.029 22.762 22.206 1.00 21.64 H new ATOM 0 HE2 TYR A 31 39.170 23.871 21.942 1.00 22.38 H new ATOM 0 HH TYR A 31 38.437 22.167 23.181 1.00 30.09 H new ATOM 528 N VAL A 32 33.829 24.863 18.349 1.00 16.31 N ATOM 529 CA VAL A 32 32.855 23.733 18.348 1.00 13.79 C ATOM 530 C VAL A 32 32.802 23.076 16.968 1.00 15.33 C ATOM 531 O VAL A 32 32.935 21.876 16.842 1.00 15.78 O ATOM 532 CB VAL A 32 31.466 24.257 18.712 1.00 15.68 C ATOM 533 CG1 VAL A 32 30.481 23.091 18.745 1.00 14.40 C ATOM 534 CG2 VAL A 32 31.510 24.929 20.089 1.00 13.96 C ATOM 0 H VAL A 32 33.444 25.765 18.630 1.00 16.31 H new ATOM 0 HA VAL A 32 33.176 22.992 19.081 1.00 13.79 H new ATOM 0 HB VAL A 32 31.147 24.986 17.968 1.00 15.68 H new ATOM 0 HG11 VAL A 32 29.489 23.460 19.004 1.00 14.40 H new ATOM 0 HG12 VAL A 32 30.447 22.616 17.765 1.00 14.40 H new ATOM 0 HG13 VAL A 32 30.803 22.363 19.490 1.00 14.40 H new ATOM 0 HG21 VAL A 32 30.518 25.301 20.344 1.00 13.96 H new ATOM 0 HG22 VAL A 32 31.829 24.204 20.838 1.00 13.96 H new ATOM 0 HG23 VAL A 32 32.214 25.761 20.066 1.00 13.96 H new ATOM 544 N ILE A 33 32.600 23.846 15.932 1.00 13.65 N ATOM 545 CA ILE A 33 32.531 23.258 14.564 1.00 13.17 C ATOM 546 C ILE A 33 33.667 22.237 14.375 1.00 15.24 C ATOM 547 O ILE A 33 33.439 21.093 14.035 1.00 15.62 O ATOM 548 CB ILE A 33 32.639 24.406 13.548 1.00 15.80 C ATOM 549 CG1 ILE A 33 31.290 25.156 13.517 1.00 14.63 C ATOM 550 CG2 ILE A 33 32.957 23.853 12.158 1.00 15.09 C ATOM 551 CD1 ILE A 33 31.413 26.504 12.788 1.00 15.66 C ATOM 0 H ILE A 33 32.480 24.858 15.975 1.00 13.65 H new ATOM 0 HA ILE A 33 31.588 22.731 14.416 1.00 13.17 H new ATOM 0 HB ILE A 33 33.441 25.084 13.840 1.00 15.80 H new ATOM 0 HG12 ILE A 33 30.541 24.539 13.020 1.00 14.63 H new ATOM 0 HG13 ILE A 33 30.941 25.323 14.536 1.00 14.63 H new ATOM 0 HG21 ILE A 33 33.031 24.676 11.447 1.00 15.09 H new ATOM 0 HG22 ILE A 33 33.904 23.314 12.189 1.00 15.09 H new ATOM 0 HG23 ILE A 33 32.163 23.174 11.846 1.00 15.09 H new ATOM 0 HD11 ILE A 33 30.445 27.005 12.785 1.00 15.66 H new ATOM 0 HD12 ILE A 33 32.144 27.129 13.300 1.00 15.66 H new ATOM 0 HD13 ILE A 33 31.737 26.334 11.761 1.00 15.66 H new ATOM 563 N LEU A 34 34.877 22.645 14.611 1.00 16.71 N ATOM 564 CA LEU A 34 36.047 21.721 14.475 1.00 19.71 C ATOM 565 C LEU A 34 35.854 20.518 15.419 1.00 20.61 C ATOM 566 O LEU A 34 36.270 19.415 15.125 1.00 22.08 O ATOM 567 CB LEU A 34 37.320 22.526 14.882 1.00 19.59 C ATOM 568 CG LEU A 34 38.289 22.955 13.703 1.00 26.84 C ATOM 569 CD1 LEU A 34 37.769 22.656 12.291 1.00 24.93 C ATOM 570 CD2 LEU A 34 38.567 24.468 13.791 1.00 27.25 C ATOM 0 H LEU A 34 35.116 23.594 14.898 1.00 16.71 H new ATOM 0 HA LEU A 34 36.143 21.348 13.455 1.00 19.71 H new ATOM 0 HB2 LEU A 34 37.001 23.426 15.407 1.00 19.59 H new ATOM 0 HB3 LEU A 34 37.890 21.927 15.592 1.00 19.59 H new ATOM 0 HG LEU A 34 39.187 22.353 13.842 1.00 26.84 H new ATOM 0 HD11 LEU A 34 38.503 22.986 11.556 1.00 24.93 H new ATOM 0 HD12 LEU A 34 37.604 21.584 12.183 1.00 24.93 H new ATOM 0 HD13 LEU A 34 36.830 23.185 12.129 1.00 24.93 H new ATOM 0 HD21 LEU A 34 39.233 24.763 12.980 1.00 27.25 H new ATOM 0 HD22 LEU A 34 37.628 25.016 13.707 1.00 27.25 H new ATOM 0 HD23 LEU A 34 39.036 24.697 14.748 1.00 27.25 H new ATOM 582 N LYS A 35 35.242 20.726 16.549 1.00 19.14 N ATOM 583 CA LYS A 35 35.041 19.597 17.511 1.00 20.97 C ATOM 584 C LYS A 35 34.201 18.509 16.857 1.00 22.25 C ATOM 585 O LYS A 35 34.324 17.339 17.162 1.00 22.80 O ATOM 586 CB LYS A 35 34.317 20.112 18.762 1.00 22.98 C ATOM 587 CG LYS A 35 34.422 19.071 19.878 1.00 26.83 C ATOM 588 CD LYS A 35 33.795 19.628 21.158 1.00 29.91 C ATOM 589 CE LYS A 35 34.206 18.759 22.348 1.00 33.36 C ATOM 590 NZ LYS A 35 33.994 17.323 22.011 1.00 35.88 N ATOM 0 H LYS A 35 34.871 21.626 16.853 1.00 19.14 H new ATOM 0 HA LYS A 35 36.011 19.188 17.791 1.00 20.97 H new ATOM 0 HB2 LYS A 35 34.757 21.055 19.087 1.00 22.98 H new ATOM 0 HB3 LYS A 35 33.270 20.311 18.533 1.00 22.98 H new ATOM 0 HG2 LYS A 35 33.915 18.153 19.582 1.00 26.83 H new ATOM 0 HG3 LYS A 35 35.467 18.815 20.054 1.00 26.83 H new ATOM 0 HD2 LYS A 35 34.119 20.657 21.316 1.00 29.91 H new ATOM 0 HD3 LYS A 35 32.709 19.646 21.065 1.00 29.91 H new ATOM 0 HE2 LYS A 35 35.253 18.935 22.596 1.00 33.36 H new ATOM 0 HE3 LYS A 35 33.621 19.027 23.227 1.00 33.36 H new ATOM 0 HZ1 LYS A 35 33.823 16.783 22.883 1.00 35.88 H new ATOM 0 HZ2 LYS A 35 33.172 17.232 21.381 1.00 35.88 H new ATOM 0 HZ3 LYS A 35 34.839 16.950 21.533 1.00 35.88 H new ATOM 604 N ASP A 36 33.338 18.893 15.971 1.00 20.87 N ATOM 605 CA ASP A 36 32.461 17.907 15.290 1.00 18.89 C ATOM 606 C ASP A 36 33.154 17.350 14.047 1.00 17.97 C ATOM 607 O ASP A 36 33.023 16.189 13.715 1.00 19.23 O ATOM 608 CB ASP A 36 31.178 18.626 14.895 1.00 16.73 C ATOM 609 CG ASP A 36 30.765 19.548 16.047 1.00 19.06 C ATOM 610 OD1 ASP A 36 30.599 19.049 17.148 1.00 17.75 O ATOM 611 OD2 ASP A 36 30.624 20.735 15.808 1.00 14.84 O ATOM 0 H ASP A 36 33.199 19.862 15.683 1.00 20.87 H new ATOM 0 HA ASP A 36 32.243 17.071 15.955 1.00 18.89 H new ATOM 0 HB2 ASP A 36 31.332 19.204 13.984 1.00 16.73 H new ATOM 0 HB3 ASP A 36 30.388 17.905 14.685 1.00 16.73 H new ATOM 616 N ALA A 37 33.875 18.179 13.350 1.00 19.53 N ATOM 617 CA ALA A 37 34.568 17.722 12.115 1.00 20.29 C ATOM 618 C ALA A 37 35.920 17.112 12.469 1.00 23.93 C ATOM 619 O ALA A 37 36.873 17.226 11.724 1.00 23.82 O ATOM 620 CB ALA A 37 34.779 18.931 11.207 1.00 19.16 C ATOM 0 H ALA A 37 34.016 19.162 13.584 1.00 19.53 H new ATOM 0 HA ALA A 37 33.964 16.967 11.611 1.00 20.29 H new ATOM 0 HB1 ALA A 37 35.286 18.617 10.295 1.00 19.16 H new ATOM 0 HB2 ALA A 37 33.813 19.368 10.953 1.00 19.16 H new ATOM 0 HB3 ALA A 37 35.388 19.672 11.724 1.00 19.16 H new ATOM 626 N ASP A 38 36.025 16.478 13.596 1.00 25.04 N ATOM 627 CA ASP A 38 37.333 15.890 13.971 1.00 29.02 C ATOM 628 C ASP A 38 38.386 17.000 13.927 1.00 30.09 C ATOM 629 O ASP A 38 39.574 16.753 13.983 1.00 29.56 O ATOM 630 CB ASP A 38 37.690 14.780 12.974 1.00 31.78 C ATOM 631 CG ASP A 38 38.690 13.807 13.609 1.00 34.21 C ATOM 632 OD1 ASP A 38 38.503 13.467 14.765 1.00 39.08 O ATOM 633 OD2 ASP A 38 39.624 13.420 12.926 1.00 37.98 O ATOM 0 H ASP A 38 35.270 16.342 14.268 1.00 25.04 H new ATOM 0 HA ASP A 38 37.292 15.462 14.973 1.00 29.02 H new ATOM 0 HB2 ASP A 38 36.789 14.245 12.675 1.00 31.78 H new ATOM 0 HB3 ASP A 38 38.117 15.215 12.070 1.00 31.78 H new ATOM 638 N ALA A 39 37.937 18.224 13.825 1.00 30.33 N ATOM 639 CA ALA A 39 38.865 19.385 13.774 1.00 32.12 C ATOM 640 C ALA A 39 39.470 19.513 12.369 1.00 33.86 C ATOM 641 O ALA A 39 40.315 20.350 12.125 1.00 34.96 O ATOM 642 CB ALA A 39 39.968 19.207 14.824 1.00 32.67 C ATOM 0 H ALA A 39 36.948 18.469 13.774 1.00 30.33 H new ATOM 0 HA ALA A 39 38.315 20.300 13.995 1.00 32.12 H new ATOM 0 HB1 ALA A 39 40.648 20.058 14.786 1.00 32.67 H new ATOM 0 HB2 ALA A 39 39.520 19.145 15.816 1.00 32.67 H new ATOM 0 HB3 ALA A 39 40.522 18.291 14.618 1.00 32.67 H new ATOM 648 N ASN A 40 39.034 18.704 11.437 1.00 33.92 N ATOM 649 CA ASN A 40 39.583 18.809 10.054 1.00 34.20 C ATOM 650 C ASN A 40 38.895 19.975 9.342 1.00 34.98 C ATOM 651 O ASN A 40 37.751 19.885 8.942 1.00 32.10 O ATOM 652 CB ASN A 40 39.324 17.509 9.282 1.00 33.87 C ATOM 653 CG ASN A 40 40.359 16.457 9.683 1.00 32.69 C ATOM 654 OD1 ASN A 40 39.969 15.394 10.325 1.00 34.27 O flip ATOM 655 ND2 ASN A 40 41.533 16.605 9.407 1.00 33.64 N flip ATOM 0 H ASN A 40 38.327 17.981 11.573 1.00 33.92 H new ATOM 0 HA ASN A 40 40.659 18.979 10.099 1.00 34.20 H new ATOM 0 HB2 ASN A 40 38.319 17.143 9.493 1.00 33.87 H new ATOM 0 HB3 ASN A 40 39.377 17.695 8.209 1.00 33.87 H new ATOM 0 HD21 ASN A 40 41.837 17.438 8.904 1.00 33.64 H new ATOM 0 HD22 ASN A 40 42.214 15.896 9.678 1.00 33.64 H new ATOM 662 N ILE A 41 39.580 21.072 9.191 1.00 35.49 N ATOM 663 CA ILE A 41 38.969 22.252 8.518 1.00 37.55 C ATOM 664 C ILE A 41 38.263 21.818 7.233 1.00 36.60 C ATOM 665 O ILE A 41 37.083 22.038 7.065 1.00 34.64 O ATOM 666 CB ILE A 41 40.066 23.270 8.192 1.00 39.67 C ATOM 667 CG1 ILE A 41 40.552 23.871 9.523 1.00 42.22 C ATOM 668 CG2 ILE A 41 39.519 24.367 7.233 1.00 40.78 C ATOM 669 CD1 ILE A 41 41.617 24.941 9.285 1.00 44.19 C ATOM 0 H ILE A 41 40.541 21.204 9.506 1.00 35.49 H new ATOM 0 HA ILE A 41 38.234 22.707 9.183 1.00 37.55 H new ATOM 0 HB ILE A 41 40.901 22.792 7.680 1.00 39.67 H new ATOM 0 HG12 ILE A 41 39.708 24.306 10.059 1.00 42.22 H new ATOM 0 HG13 ILE A 41 40.959 23.082 10.155 1.00 42.22 H new ATOM 0 HG21 ILE A 41 40.310 25.083 7.010 1.00 40.78 H new ATOM 0 HG22 ILE A 41 39.178 23.904 6.307 1.00 40.78 H new ATOM 0 HG23 ILE A 41 38.685 24.883 7.709 1.00 40.78 H new ATOM 0 HD11 ILE A 41 41.943 25.349 10.242 1.00 44.19 H new ATOM 0 HD12 ILE A 41 42.469 24.498 8.770 1.00 44.19 H new ATOM 0 HD13 ILE A 41 41.199 25.740 8.673 1.00 44.19 H new ATOM 681 N GLU A 42 38.974 21.214 6.321 1.00 37.01 N ATOM 682 CA GLU A 42 38.332 20.781 5.047 1.00 36.07 C ATOM 683 C GLU A 42 37.007 20.081 5.350 1.00 33.02 C ATOM 684 O GLU A 42 36.021 20.274 4.668 1.00 31.66 O ATOM 685 CB GLU A 42 39.262 19.817 4.309 1.00 40.46 C ATOM 686 CG GLU A 42 40.600 20.507 4.035 1.00 45.44 C ATOM 687 CD GLU A 42 41.506 19.568 3.237 1.00 49.08 C ATOM 688 OE1 GLU A 42 41.142 18.414 3.084 1.00 50.84 O ATOM 689 OE2 GLU A 42 42.548 20.020 2.791 1.00 51.71 O ATOM 0 H GLU A 42 39.968 21.002 6.402 1.00 37.01 H new ATOM 0 HA GLU A 42 38.144 21.654 4.423 1.00 36.07 H new ATOM 0 HB2 GLU A 42 39.420 18.919 4.906 1.00 40.46 H new ATOM 0 HB3 GLU A 42 38.805 19.501 3.371 1.00 40.46 H new ATOM 0 HG2 GLU A 42 40.438 21.431 3.480 1.00 45.44 H new ATOM 0 HG3 GLU A 42 41.079 20.780 4.975 1.00 45.44 H new ATOM 696 N GLU A 43 36.974 19.278 6.377 1.00 29.75 N ATOM 697 CA GLU A 43 35.708 18.577 6.730 1.00 27.99 C ATOM 698 C GLU A 43 34.816 19.531 7.527 1.00 25.26 C ATOM 699 O GLU A 43 33.606 19.437 7.494 1.00 22.77 O ATOM 700 CB GLU A 43 36.020 17.337 7.575 1.00 30.94 C ATOM 701 CG GLU A 43 34.805 16.406 7.584 1.00 33.24 C ATOM 702 CD GLU A 43 34.653 15.752 6.210 1.00 37.98 C ATOM 703 OE1 GLU A 43 35.643 15.250 5.702 1.00 43.17 O ATOM 704 OE2 GLU A 43 33.551 15.763 5.688 1.00 38.40 O ATOM 0 H GLU A 43 37.767 19.077 6.986 1.00 29.75 H new ATOM 0 HA GLU A 43 35.195 18.266 5.820 1.00 27.99 H new ATOM 0 HB2 GLU A 43 36.887 16.816 7.169 1.00 30.94 H new ATOM 0 HB3 GLU A 43 36.273 17.632 8.593 1.00 30.94 H new ATOM 0 HG2 GLU A 43 34.925 15.641 8.351 1.00 33.24 H new ATOM 0 HG3 GLU A 43 33.905 16.968 7.833 1.00 33.24 H new ATOM 711 N ALA A 44 35.405 20.453 8.246 1.00 22.98 N ATOM 712 CA ALA A 44 34.585 21.411 9.043 1.00 23.88 C ATOM 713 C ALA A 44 34.069 22.519 8.118 1.00 22.87 C ATOM 714 O ALA A 44 32.925 22.920 8.191 1.00 22.85 O ATOM 715 CB ALA A 44 35.442 21.998 10.189 1.00 22.28 C ATOM 0 H ALA A 44 36.414 20.582 8.315 1.00 22.98 H new ATOM 0 HA ALA A 44 33.731 20.898 9.485 1.00 23.88 H new ATOM 0 HB1 ALA A 44 34.842 22.698 10.771 1.00 22.28 H new ATOM 0 HB2 ALA A 44 35.787 21.191 10.836 1.00 22.28 H new ATOM 0 HB3 ALA A 44 36.302 22.519 9.770 1.00 22.28 H new ATOM 721 N SER A 45 34.903 23.005 7.247 1.00 25.55 N ATOM 722 CA SER A 45 34.464 24.076 6.313 1.00 26.34 C ATOM 723 C SER A 45 33.277 23.569 5.492 1.00 26.21 C ATOM 724 O SER A 45 32.283 24.249 5.330 1.00 23.95 O ATOM 725 CB SER A 45 35.619 24.429 5.375 1.00 29.82 C ATOM 726 OG SER A 45 35.587 23.566 4.247 1.00 33.07 O ATOM 0 H SER A 45 35.873 22.707 7.140 1.00 25.55 H new ATOM 0 HA SER A 45 34.168 24.961 6.876 1.00 26.34 H new ATOM 0 HB2 SER A 45 35.539 25.468 5.055 1.00 29.82 H new ATOM 0 HB3 SER A 45 36.571 24.329 5.897 1.00 29.82 H new ATOM 0 HG SER A 45 36.325 23.790 3.643 1.00 33.07 H new ATOM 732 N ARG A 46 33.375 22.376 4.973 1.00 26.25 N ATOM 733 CA ARG A 46 32.256 21.820 4.162 1.00 26.19 C ATOM 734 C ARG A 46 30.940 21.987 4.927 1.00 24.78 C ATOM 735 O ARG A 46 29.899 22.210 4.342 1.00 20.51 O ATOM 736 CB ARG A 46 32.517 20.335 3.879 1.00 30.93 C ATOM 737 CG ARG A 46 33.549 20.206 2.754 1.00 37.66 C ATOM 738 CD ARG A 46 33.945 18.739 2.573 1.00 43.41 C ATOM 739 NE ARG A 46 32.724 17.889 2.517 1.00 47.39 N ATOM 740 CZ ARG A 46 32.797 16.681 2.030 1.00 49.82 C ATOM 741 NH1 ARG A 46 33.931 16.237 1.560 1.00 51.10 N ATOM 742 NH2 ARG A 46 31.737 15.922 2.006 1.00 51.02 N ATOM 0 H ARG A 46 34.183 21.762 5.076 1.00 26.25 H new ATOM 0 HA ARG A 46 32.188 22.355 3.215 1.00 26.19 H new ATOM 0 HB2 ARG A 46 32.880 19.840 4.780 1.00 30.93 H new ATOM 0 HB3 ARG A 46 31.589 19.839 3.595 1.00 30.93 H new ATOM 0 HG2 ARG A 46 33.136 20.597 1.824 1.00 37.66 H new ATOM 0 HG3 ARG A 46 34.430 20.803 2.988 1.00 37.66 H new ATOM 0 HD2 ARG A 46 34.524 18.620 1.657 1.00 43.41 H new ATOM 0 HD3 ARG A 46 34.583 18.421 3.398 1.00 43.41 H new ATOM 0 HE ARG A 46 31.833 18.250 2.858 1.00 47.39 H new ATOM 0 HH11 ARG A 46 34.758 16.834 1.574 1.00 51.10 H new ATOM 0 HH12 ARG A 46 33.990 15.293 1.179 1.00 51.10 H new ATOM 0 HH21 ARG A 46 30.850 16.273 2.368 1.00 51.02 H new ATOM 0 HH22 ARG A 46 31.795 14.978 1.625 1.00 51.02 H new ATOM 756 N ARG A 47 30.976 21.899 6.230 1.00 20.40 N ATOM 757 CA ARG A 47 29.721 22.076 7.016 1.00 20.79 C ATOM 758 C ARG A 47 29.328 23.546 6.957 1.00 20.46 C ATOM 759 O ARG A 47 28.276 23.905 6.466 1.00 20.27 O ATOM 760 CB ARG A 47 29.956 21.683 8.477 1.00 18.12 C ATOM 761 CG ARG A 47 30.477 20.244 8.559 1.00 19.83 C ATOM 762 CD ARG A 47 30.997 19.967 9.976 1.00 24.63 C ATOM 763 NE ARG A 47 31.847 18.730 9.971 1.00 25.15 N ATOM 764 CZ ARG A 47 31.389 17.586 9.539 1.00 28.72 C ATOM 765 NH1 ARG A 47 30.122 17.440 9.269 1.00 25.84 N ATOM 766 NH2 ARG A 47 32.195 16.565 9.433 1.00 22.33 N ATOM 0 H ARG A 47 31.814 21.713 6.781 1.00 20.40 H new ATOM 0 HA ARG A 47 28.934 21.446 6.601 1.00 20.79 H new ATOM 0 HB2 ARG A 47 30.674 22.364 8.934 1.00 18.12 H new ATOM 0 HB3 ARG A 47 29.027 21.774 9.040 1.00 18.12 H new ATOM 0 HG2 ARG A 47 29.681 19.543 8.309 1.00 19.83 H new ATOM 0 HG3 ARG A 47 31.275 20.093 7.832 1.00 19.83 H new ATOM 0 HD2 ARG A 47 31.578 20.817 10.333 1.00 24.63 H new ATOM 0 HD3 ARG A 47 30.160 19.842 10.663 1.00 24.63 H new ATOM 0 HE ARG A 47 32.806 18.784 10.314 1.00 25.15 H new ATOM 0 HH11 ARG A 47 29.480 18.223 9.395 1.00 25.84 H new ATOM 0 HH12 ARG A 47 29.772 16.543 8.932 1.00 25.84 H new ATOM 0 HH21 ARG A 47 33.178 16.663 9.687 1.00 22.33 H new ATOM 0 HH22 ARG A 47 31.842 15.669 9.096 1.00 22.33 H new ATOM 780 N ILE A 48 30.189 24.400 7.437 1.00 19.14 N ATOM 781 CA ILE A 48 29.912 25.865 7.398 1.00 21.78 C ATOM 782 C ILE A 48 29.410 26.217 6.008 1.00 25.27 C ATOM 783 O ILE A 48 28.343 26.768 5.831 1.00 23.94 O ATOM 784 CB ILE A 48 31.214 26.608 7.680 1.00 20.97 C ATOM 785 CG1 ILE A 48 31.803 26.062 8.981 1.00 21.08 C ATOM 786 CG2 ILE A 48 30.933 28.107 7.809 1.00 21.08 C ATOM 787 CD1 ILE A 48 33.001 26.907 9.428 1.00 19.82 C ATOM 0 H ILE A 48 31.082 24.144 7.859 1.00 19.14 H new ATOM 0 HA ILE A 48 29.164 26.143 8.141 1.00 21.78 H new ATOM 0 HB ILE A 48 31.922 26.461 6.865 1.00 20.97 H new ATOM 0 HG12 ILE A 48 31.040 26.062 9.760 1.00 21.08 H new ATOM 0 HG13 ILE A 48 32.114 25.027 8.839 1.00 21.08 H new ATOM 0 HG21 ILE A 48 31.865 28.636 8.010 1.00 21.08 H new ATOM 0 HG22 ILE A 48 30.499 28.477 6.880 1.00 21.08 H new ATOM 0 HG23 ILE A 48 30.235 28.277 8.629 1.00 21.08 H new ATOM 0 HD11 ILE A 48 33.406 26.502 10.356 1.00 19.82 H new ATOM 0 HD12 ILE A 48 33.770 26.885 8.656 1.00 19.82 H new ATOM 0 HD13 ILE A 48 32.680 27.936 9.591 1.00 19.82 H new ATOM 799 N GLU A 49 30.176 25.871 5.022 1.00 26.87 N ATOM 800 CA GLU A 49 29.773 26.146 3.619 1.00 31.21 C ATOM 801 C GLU A 49 28.323 25.741 3.418 1.00 31.88 C ATOM 802 O GLU A 49 27.471 26.557 3.126 1.00 31.73 O ATOM 803 CB GLU A 49 30.614 25.274 2.707 1.00 32.85 C ATOM 804 CG GLU A 49 32.024 25.853 2.567 1.00 36.76 C ATOM 805 CD GLU A 49 32.750 25.150 1.419 1.00 40.40 C ATOM 806 OE1 GLU A 49 32.627 23.941 1.319 1.00 43.41 O ATOM 807 OE2 GLU A 49 33.417 25.834 0.659 1.00 40.28 O ATOM 0 H GLU A 49 31.076 25.403 5.127 1.00 26.87 H new ATOM 0 HA GLU A 49 29.906 27.206 3.401 1.00 31.21 H new ATOM 0 HB2 GLU A 49 30.668 24.262 3.109 1.00 32.85 H new ATOM 0 HB3 GLU A 49 30.144 25.203 1.726 1.00 32.85 H new ATOM 0 HG2 GLU A 49 31.972 26.925 2.377 1.00 36.76 H new ATOM 0 HG3 GLU A 49 32.577 25.721 3.497 1.00 36.76 H new ATOM 814 N GLU A 50 28.036 24.476 3.592 1.00 32.05 N ATOM 815 CA GLU A 50 26.638 24.009 3.435 1.00 30.33 C ATOM 816 C GLU A 50 25.787 24.935 4.275 1.00 29.99 C ATOM 817 O GLU A 50 24.762 25.389 3.865 1.00 26.76 O ATOM 818 CB GLU A 50 26.526 22.554 3.938 1.00 33.38 C ATOM 819 CG GLU A 50 25.372 21.832 3.231 1.00 33.45 C ATOM 820 CD GLU A 50 25.366 20.358 3.638 1.00 36.89 C ATOM 821 OE1 GLU A 50 26.206 19.624 3.144 1.00 36.13 O ATOM 822 OE2 GLU A 50 24.521 19.987 4.436 1.00 35.55 O ATOM 0 H GLU A 50 28.712 23.752 3.835 1.00 32.05 H new ATOM 0 HA GLU A 50 26.314 24.025 2.395 1.00 30.33 H new ATOM 0 HB2 GLU A 50 27.461 22.026 3.754 1.00 33.38 H new ATOM 0 HB3 GLU A 50 26.363 22.546 5.016 1.00 33.38 H new ATOM 0 HG2 GLU A 50 24.422 22.297 3.495 1.00 33.45 H new ATOM 0 HG3 GLU A 50 25.481 21.921 2.150 1.00 33.45 H new ATOM 829 N GLY A 51 26.276 25.250 5.429 1.00 0.00 N ATOM 830 CA GLY A 51 25.564 26.180 6.342 1.00 0.00 C ATOM 831 C GLY A 51 25.329 27.530 5.648 1.00 0.00 C ATOM 832 O GLY A 51 24.217 27.977 5.459 1.00 0.00 O ATOM 0 H GLY A 51 27.161 24.895 5.791 1.00 0.00 H new ATOM 0 HA2 GLY A 51 24.610 25.747 6.643 1.00 0.00 H new ATOM 0 HA3 GLY A 51 26.148 26.327 7.251 1.00 0.00 H new ATOM 836 N GLN A 52 26.389 28.195 5.278 1.00 29.60 N ATOM 837 CA GLN A 52 26.250 29.522 4.601 1.00 32.81 C ATOM 838 C GLN A 52 25.238 29.377 3.480 1.00 33.63 C ATOM 839 O GLN A 52 24.301 30.140 3.351 1.00 32.37 O ATOM 840 CB GLN A 52 27.596 29.936 3.999 1.00 32.81 C ATOM 841 CG GLN A 52 28.708 29.855 5.063 1.00 34.44 C ATOM 842 CD GLN A 52 28.862 31.197 5.783 1.00 35.84 C ATOM 843 OE1 GLN A 52 27.888 31.848 6.104 1.00 36.29 O ATOM 844 NE2 GLN A 52 30.061 31.636 6.048 1.00 38.34 N ATOM 0 H GLN A 52 27.349 27.878 5.414 1.00 29.60 H new ATOM 0 HA GLN A 52 25.928 30.275 5.320 1.00 32.81 H new ATOM 0 HB2 GLN A 52 27.841 29.287 3.158 1.00 32.81 H new ATOM 0 HB3 GLN A 52 27.530 30.952 3.609 1.00 32.81 H new ATOM 0 HG2 GLN A 52 28.472 29.073 5.785 1.00 34.44 H new ATOM 0 HG3 GLN A 52 29.651 29.579 4.591 1.00 34.44 H new ATOM 0 HE21 GLN A 52 30.877 31.087 5.777 1.00 38.34 H new ATOM 0 HE22 GLN A 52 30.183 32.529 6.526 1.00 38.34 H new ATOM 853 N TYR A 53 25.426 28.375 2.683 1.00 34.79 N ATOM 854 CA TYR A 53 24.490 28.117 1.566 1.00 37.88 C ATOM 855 C TYR A 53 23.137 27.740 2.162 1.00 39.97 C ATOM 856 O TYR A 53 22.108 28.253 1.788 1.00 39.08 O ATOM 857 CB TYR A 53 25.033 26.947 0.729 1.00 39.97 C ATOM 858 CG TYR A 53 23.917 26.307 -0.066 1.00 42.20 C ATOM 859 CD1 TYR A 53 23.080 25.366 0.538 1.00 42.61 C ATOM 860 CD2 TYR A 53 23.723 26.661 -1.397 1.00 42.58 C ATOM 861 CE1 TYR A 53 22.047 24.779 -0.190 1.00 45.45 C ATOM 862 CE2 TYR A 53 22.687 26.075 -2.135 1.00 44.68 C ATOM 863 CZ TYR A 53 21.847 25.131 -1.530 1.00 45.19 C ATOM 864 OH TYR A 53 20.824 24.551 -2.252 1.00 49.10 O ATOM 0 H TYR A 53 26.199 27.714 2.758 1.00 34.79 H new ATOM 0 HA TYR A 53 24.386 28.997 0.931 1.00 37.88 H new ATOM 0 HB2 TYR A 53 25.811 27.304 0.054 1.00 39.97 H new ATOM 0 HB3 TYR A 53 25.494 26.206 1.383 1.00 39.97 H new ATOM 0 HD1 TYR A 53 23.234 25.093 1.571 1.00 42.61 H new ATOM 0 HD2 TYR A 53 24.372 27.388 -1.862 1.00 42.58 H new ATOM 0 HE1 TYR A 53 21.401 24.052 0.280 1.00 45.45 H new ATOM 0 HE2 TYR A 53 22.536 26.350 -3.168 1.00 44.68 H new ATOM 0 HH TYR A 53 20.299 23.968 -1.665 1.00 49.10 H new ATOM 874 N VAL A 54 23.157 26.836 3.090 1.00 39.04 N ATOM 875 CA VAL A 54 21.905 26.373 3.741 1.00 40.51 C ATOM 876 C VAL A 54 21.086 27.597 4.161 1.00 40.89 C ATOM 877 O VAL A 54 19.964 27.789 3.739 1.00 40.52 O ATOM 878 CB VAL A 54 22.338 25.550 4.959 1.00 40.89 C ATOM 879 CG1 VAL A 54 21.284 25.538 6.040 1.00 41.12 C ATOM 880 CG2 VAL A 54 22.712 24.095 4.562 1.00 40.75 C ATOM 0 H VAL A 54 24.006 26.387 3.434 1.00 39.04 H new ATOM 0 HA VAL A 54 21.284 25.770 3.078 1.00 40.51 H new ATOM 0 HB VAL A 54 23.226 26.039 5.360 1.00 40.89 H new ATOM 0 HG11 VAL A 54 21.634 24.943 6.883 1.00 41.12 H new ATOM 0 HG12 VAL A 54 21.091 26.558 6.371 1.00 41.12 H new ATOM 0 HG13 VAL A 54 20.365 25.104 5.647 1.00 41.12 H new ATOM 0 HG21 VAL A 54 23.014 23.541 5.451 1.00 40.75 H new ATOM 0 HG22 VAL A 54 21.849 23.609 4.107 1.00 40.75 H new ATOM 0 HG23 VAL A 54 23.536 24.113 3.849 1.00 40.75 H new ATOM 890 N VAL A 55 21.651 28.424 4.989 1.00 40.66 N ATOM 891 CA VAL A 55 20.928 29.639 5.443 1.00 41.79 C ATOM 892 C VAL A 55 20.622 30.514 4.227 1.00 43.19 C ATOM 893 O VAL A 55 19.482 30.833 3.952 1.00 42.93 O ATOM 894 CB VAL A 55 21.812 30.402 6.433 1.00 40.93 C ATOM 895 CG1 VAL A 55 21.038 31.586 7.013 1.00 40.61 C ATOM 896 CG2 VAL A 55 22.224 29.458 7.565 1.00 41.17 C ATOM 0 H VAL A 55 22.589 28.310 5.374 1.00 40.66 H new ATOM 0 HA VAL A 55 19.994 29.366 5.934 1.00 41.79 H new ATOM 0 HB VAL A 55 22.699 30.773 5.919 1.00 40.93 H new ATOM 0 HG11 VAL A 55 21.672 32.125 7.717 1.00 40.61 H new ATOM 0 HG12 VAL A 55 20.740 32.256 6.207 1.00 40.61 H new ATOM 0 HG13 VAL A 55 20.150 31.222 7.530 1.00 40.61 H new ATOM 0 HG21 VAL A 55 22.854 29.994 8.275 1.00 41.17 H new ATOM 0 HG22 VAL A 55 21.333 29.091 8.075 1.00 41.17 H new ATOM 0 HG23 VAL A 55 22.778 28.615 7.152 1.00 41.17 H new ATOM 906 N ASN A 56 21.628 30.895 3.489 1.00 43.65 N ATOM 907 CA ASN A 56 21.387 31.736 2.285 1.00 46.57 C ATOM 908 C ASN A 56 20.310 31.070 1.424 1.00 47.19 C ATOM 909 O ASN A 56 19.506 31.730 0.796 1.00 46.87 O ATOM 910 CB ASN A 56 22.684 31.863 1.483 1.00 46.25 C ATOM 911 CG ASN A 56 23.754 32.532 2.347 1.00 46.74 C ATOM 912 OD1 ASN A 56 23.612 32.621 3.550 1.00 46.94 O ATOM 913 ND2 ASN A 56 24.827 33.011 1.779 1.00 47.06 N ATOM 0 H ASN A 56 22.604 30.660 3.668 1.00 43.65 H new ATOM 0 HA ASN A 56 21.055 32.730 2.586 1.00 46.57 H new ATOM 0 HB2 ASN A 56 23.024 30.878 1.162 1.00 46.25 H new ATOM 0 HB3 ASN A 56 22.510 32.450 0.581 1.00 46.25 H new ATOM 0 HD21 ASN A 56 25.547 33.460 2.345 1.00 47.06 H new ATOM 0 HD22 ASN A 56 24.946 32.936 0.769 1.00 47.06 H new ATOM 920 N GLU A 57 20.282 29.764 1.403 1.00 49.43 N ATOM 921 CA GLU A 57 19.252 29.052 0.597 1.00 51.03 C ATOM 922 C GLU A 57 17.887 29.267 1.248 1.00 51.99 C ATOM 923 O GLU A 57 16.971 29.789 0.649 1.00 52.02 O ATOM 924 CB GLU A 57 19.561 27.560 0.573 1.00 52.77 C ATOM 925 CG GLU A 57 18.644 26.851 -0.424 1.00 54.20 C ATOM 926 CD GLU A 57 18.756 25.337 -0.236 1.00 56.33 C ATOM 927 OE1 GLU A 57 19.216 24.922 0.815 1.00 57.66 O ATOM 928 OE2 GLU A 57 18.379 24.618 -1.146 1.00 57.76 O ATOM 0 H GLU A 57 20.929 29.160 1.910 1.00 49.43 H new ATOM 0 HA GLU A 57 19.251 29.438 -0.422 1.00 51.03 H new ATOM 0 HB2 GLU A 57 20.603 27.401 0.297 1.00 52.77 H new ATOM 0 HB3 GLU A 57 19.426 27.136 1.568 1.00 52.77 H new ATOM 0 HG2 GLU A 57 17.613 27.171 -0.276 1.00 54.20 H new ATOM 0 HG3 GLU A 57 18.919 27.123 -1.443 1.00 54.20 H new ATOM 935 N TYR A 58 17.754 28.870 2.483 1.00 53.12 N ATOM 936 CA TYR A 58 16.458 29.051 3.192 1.00 54.13 C ATOM 937 C TYR A 58 15.996 30.492 3.027 1.00 54.38 C ATOM 938 O TYR A 58 14.849 30.824 3.243 1.00 55.12 O ATOM 939 CB TYR A 58 16.653 28.752 4.679 1.00 54.54 C ATOM 940 CG TYR A 58 15.314 28.584 5.341 1.00 55.20 C ATOM 941 CD1 TYR A 58 14.657 29.690 5.891 1.00 55.64 C ATOM 942 CD2 TYR A 58 14.733 27.318 5.409 1.00 55.36 C ATOM 943 CE1 TYR A 58 13.413 29.524 6.513 1.00 56.15 C ATOM 944 CE2 TYR A 58 13.495 27.149 6.028 1.00 55.93 C ATOM 945 CZ TYR A 58 12.832 28.251 6.581 1.00 56.20 C ATOM 946 OH TYR A 58 11.607 28.083 7.194 1.00 58.01 O ATOM 0 H TYR A 58 18.490 28.427 3.033 1.00 53.12 H new ATOM 0 HA TYR A 58 15.712 28.375 2.776 1.00 54.13 H new ATOM 0 HB2 TYR A 58 17.247 27.847 4.803 1.00 54.54 H new ATOM 0 HB3 TYR A 58 17.205 29.563 5.154 1.00 54.54 H new ATOM 0 HD1 TYR A 58 15.108 30.670 5.836 1.00 55.64 H new ATOM 0 HD2 TYR A 58 15.243 26.467 4.982 1.00 55.36 H new ATOM 0 HE1 TYR A 58 12.903 30.375 6.939 1.00 56.15 H new ATOM 0 HE2 TYR A 58 13.047 26.168 6.081 1.00 55.93 H new ATOM 0 HH TYR A 58 11.739 27.725 8.097 1.00 58.01 H new ATOM 1151 N ASP B 7 12.920 23.434 9.231 1.00 55.77 N ATOM 1152 CA ASP B 7 12.456 24.555 10.099 1.00 53.95 C ATOM 1153 C ASP B 7 12.830 24.273 11.555 1.00 52.49 C ATOM 1154 O ASP B 7 13.505 25.062 12.186 1.00 51.89 O ATOM 1155 CB ASP B 7 10.936 24.698 9.979 1.00 54.63 C ATOM 1156 CG ASP B 7 10.505 26.076 10.487 1.00 55.27 C ATOM 1157 OD1 ASP B 7 11.074 27.057 10.037 1.00 55.55 O ATOM 1158 OD2 ASP B 7 9.613 26.127 11.318 1.00 56.33 O ATOM 0 HA ASP B 7 12.936 25.480 9.779 1.00 53.95 H new ATOM 0 HB2 ASP B 7 10.630 24.571 8.941 1.00 54.63 H new ATOM 0 HB3 ASP B 7 10.441 23.916 10.555 1.00 54.63 H new ATOM 1163 N VAL B 8 12.416 23.148 12.094 1.00 50.38 N ATOM 1164 CA VAL B 8 12.781 22.827 13.514 1.00 48.45 C ATOM 1165 C VAL B 8 14.277 23.082 13.672 1.00 46.36 C ATOM 1166 O VAL B 8 14.741 23.650 14.640 1.00 44.84 O ATOM 1167 CB VAL B 8 12.498 21.339 13.842 1.00 48.63 C ATOM 1168 CG1 VAL B 8 11.092 21.188 14.419 1.00 48.83 C ATOM 1169 CG2 VAL B 8 12.662 20.471 12.583 1.00 47.55 C ATOM 0 H VAL B 8 11.848 22.446 11.619 1.00 50.38 H new ATOM 0 HA VAL B 8 12.188 23.446 14.188 1.00 48.45 H new ATOM 0 HB VAL B 8 13.218 21.000 14.587 1.00 48.63 H new ATOM 0 HG11 VAL B 8 10.903 20.139 14.646 1.00 48.83 H new ATOM 0 HG12 VAL B 8 11.008 21.778 15.332 1.00 48.83 H new ATOM 0 HG13 VAL B 8 10.360 21.539 13.691 1.00 48.83 H new ATOM 0 HG21 VAL B 8 12.460 19.429 12.831 1.00 47.55 H new ATOM 0 HG22 VAL B 8 11.962 20.805 11.817 1.00 47.55 H new ATOM 0 HG23 VAL B 8 13.681 20.563 12.208 1.00 47.55 H new ATOM 1179 N PHE B 9 15.021 22.654 12.700 1.00 44.57 N ATOM 1180 CA PHE B 9 16.487 22.846 12.733 1.00 42.68 C ATOM 1181 C PHE B 9 16.789 24.342 12.822 1.00 41.92 C ATOM 1182 O PHE B 9 17.368 24.814 13.780 1.00 40.56 O ATOM 1183 CB PHE B 9 17.098 22.258 11.447 1.00 41.99 C ATOM 1184 CG PHE B 9 18.522 21.864 11.712 1.00 41.32 C ATOM 1185 CD1 PHE B 9 19.531 22.822 11.612 1.00 41.38 C ATOM 1186 CD2 PHE B 9 18.832 20.549 12.066 1.00 41.88 C ATOM 1187 CE1 PHE B 9 20.851 22.467 11.862 1.00 39.40 C ATOM 1188 CE2 PHE B 9 20.156 20.196 12.317 1.00 39.39 C ATOM 1189 CZ PHE B 9 21.162 21.160 12.213 1.00 40.84 C ATOM 0 H PHE B 9 14.669 22.172 11.872 1.00 44.57 H new ATOM 0 HA PHE B 9 16.917 22.340 13.598 1.00 42.68 H new ATOM 0 HB2 PHE B 9 16.523 21.391 11.120 1.00 41.99 H new ATOM 0 HB3 PHE B 9 17.055 22.991 10.642 1.00 41.99 H new ATOM 0 HD1 PHE B 9 19.287 23.838 11.341 1.00 41.38 H new ATOM 0 HD2 PHE B 9 18.049 19.809 12.145 1.00 41.88 H new ATOM 0 HE1 PHE B 9 21.634 23.207 11.783 1.00 39.40 H new ATOM 0 HE2 PHE B 9 20.404 19.181 12.591 1.00 39.39 H new ATOM 0 HZ PHE B 9 22.189 20.887 12.407 1.00 40.84 H new ATOM 1199 N LEU B 10 16.391 25.092 11.834 1.00 41.09 N ATOM 1200 CA LEU B 10 16.645 26.556 11.870 1.00 41.50 C ATOM 1201 C LEU B 10 15.978 27.135 13.114 1.00 41.09 C ATOM 1202 O LEU B 10 16.497 28.033 13.746 1.00 38.55 O ATOM 1203 CB LEU B 10 16.077 27.206 10.610 1.00 42.71 C ATOM 1204 CG LEU B 10 16.539 26.414 9.381 1.00 43.61 C ATOM 1205 CD1 LEU B 10 16.103 27.139 8.116 1.00 44.50 C ATOM 1206 CD2 LEU B 10 18.067 26.289 9.382 1.00 43.61 C ATOM 0 H LEU B 10 15.902 24.755 11.005 1.00 41.09 H new ATOM 0 HA LEU B 10 17.716 26.753 11.907 1.00 41.50 H new ATOM 0 HB2 LEU B 10 14.988 27.226 10.656 1.00 42.71 H new ATOM 0 HB3 LEU B 10 16.412 28.241 10.538 1.00 42.71 H new ATOM 0 HG LEU B 10 16.093 25.420 9.413 1.00 43.61 H new ATOM 0 HD11 LEU B 10 16.431 26.576 7.242 1.00 44.50 H new ATOM 0 HD12 LEU B 10 15.017 27.227 8.103 1.00 44.50 H new ATOM 0 HD13 LEU B 10 16.548 28.134 8.095 1.00 44.50 H new ATOM 0 HD21 LEU B 10 18.386 25.725 8.506 1.00 43.61 H new ATOM 0 HD22 LEU B 10 18.513 27.283 9.356 1.00 43.61 H new ATOM 0 HD23 LEU B 10 18.389 25.770 10.285 1.00 43.61 H new ATOM 1218 N ASP B 11 14.843 26.614 13.492 1.00 41.28 N ATOM 1219 CA ASP B 11 14.182 27.132 14.718 1.00 41.44 C ATOM 1220 C ASP B 11 15.170 26.993 15.874 1.00 39.86 C ATOM 1221 O ASP B 11 15.463 27.949 16.565 1.00 37.26 O ATOM 1222 CB ASP B 11 12.918 26.326 15.024 1.00 44.23 C ATOM 1223 CG ASP B 11 11.964 26.388 13.829 1.00 46.87 C ATOM 1224 OD1 ASP B 11 12.257 27.122 12.900 1.00 48.41 O ATOM 1225 OD2 ASP B 11 10.956 25.701 13.865 1.00 49.31 O ATOM 0 H ASP B 11 14.351 25.861 13.010 1.00 41.28 H new ATOM 0 HA ASP B 11 13.896 28.174 14.576 1.00 41.44 H new ATOM 0 HB2 ASP B 11 13.179 25.290 15.240 1.00 44.23 H new ATOM 0 HB3 ASP B 11 12.428 26.723 15.913 1.00 44.23 H new ATOM 1230 N TYR B 12 15.714 25.816 16.080 1.00 39.23 N ATOM 1231 CA TYR B 12 16.704 25.665 17.180 1.00 38.08 C ATOM 1232 C TYR B 12 17.823 26.660 16.932 1.00 34.01 C ATOM 1233 O TYR B 12 18.240 27.380 17.813 1.00 32.49 O ATOM 1234 CB TYR B 12 17.329 24.267 17.196 1.00 42.28 C ATOM 1235 CG TYR B 12 16.298 23.158 17.327 1.00 47.31 C ATOM 1236 CD1 TYR B 12 15.213 23.253 18.219 1.00 49.49 C ATOM 1237 CD2 TYR B 12 16.463 21.997 16.563 1.00 48.65 C ATOM 1238 CE1 TYR B 12 14.310 22.188 18.332 1.00 50.83 C ATOM 1239 CE2 TYR B 12 15.565 20.946 16.676 1.00 51.34 C ATOM 1240 CZ TYR B 12 14.487 21.034 17.561 1.00 50.67 C ATOM 1241 OH TYR B 12 13.597 19.985 17.673 1.00 52.32 O ATOM 0 H TYR B 12 15.517 24.972 15.542 1.00 39.23 H new ATOM 0 HA TYR B 12 16.194 25.831 18.129 1.00 38.08 H new ATOM 0 HB2 TYR B 12 17.899 24.119 16.279 1.00 42.28 H new ATOM 0 HB3 TYR B 12 18.034 24.200 18.024 1.00 42.28 H new ATOM 0 HD1 TYR B 12 15.077 24.144 18.814 1.00 49.49 H new ATOM 0 HD2 TYR B 12 17.296 21.919 15.880 1.00 48.65 H new ATOM 0 HE1 TYR B 12 13.476 22.258 19.015 1.00 50.83 H new ATOM 0 HE2 TYR B 12 15.699 20.057 16.078 1.00 51.34 H new ATOM 0 HH TYR B 12 13.865 19.263 17.067 1.00 52.32 H new ATOM 1251 N CYS B 13 18.313 26.717 15.727 1.00 32.32 N ATOM 1252 CA CYS B 13 19.394 27.682 15.431 1.00 29.00 C ATOM 1253 C CYS B 13 18.936 29.050 15.919 1.00 29.81 C ATOM 1254 O CYS B 13 19.512 29.618 16.818 1.00 24.62 O ATOM 1255 CB CYS B 13 19.656 27.716 13.926 1.00 28.41 C ATOM 1256 SG CYS B 13 19.879 26.025 13.320 1.00 23.95 S ATOM 0 H CYS B 13 18.012 26.140 14.942 1.00 32.32 H new ATOM 0 HA CYS B 13 20.319 27.394 15.930 1.00 29.00 H new ATOM 0 HB2 CYS B 13 18.822 28.192 13.411 1.00 28.41 H new ATOM 0 HB3 CYS B 13 20.544 28.311 13.713 1.00 28.41 H new ATOM 0 HG CYS B 13 18.776 25.357 13.482 1.00 23.95 H new ATOM 1262 N GLN B 14 17.873 29.561 15.360 1.00 29.76 N ATOM 1263 CA GLN B 14 17.350 30.880 15.810 1.00 32.34 C ATOM 1264 C GLN B 14 17.288 30.901 17.341 1.00 33.14 C ATOM 1265 O GLN B 14 17.542 31.907 17.966 1.00 33.29 O ATOM 1266 CB GLN B 14 15.950 31.096 15.225 1.00 34.56 C ATOM 1267 CG GLN B 14 15.575 32.580 15.285 1.00 39.08 C ATOM 1268 CD GLN B 14 15.196 32.958 16.718 1.00 41.02 C ATOM 1269 OE1 GLN B 14 16.008 33.699 17.420 1.00 42.67 O flip ATOM 1270 NE2 GLN B 14 14.150 32.576 17.204 1.00 42.20 N flip ATOM 0 H GLN B 14 17.343 29.119 14.609 1.00 29.76 H new ATOM 0 HA GLN B 14 18.008 31.678 15.466 1.00 32.34 H new ATOM 0 HB2 GLN B 14 15.922 30.748 14.193 1.00 34.56 H new ATOM 0 HB3 GLN B 14 15.221 30.506 15.781 1.00 34.56 H new ATOM 0 HG2 GLN B 14 16.412 33.191 14.947 1.00 39.08 H new ATOM 0 HG3 GLN B 14 14.741 32.782 14.613 1.00 39.08 H new ATOM 0 HE21 GLN B 14 13.514 31.997 16.656 1.00 42.20 H new ATOM 0 HE22 GLN B 14 13.907 32.835 18.160 1.00 42.20 H new ATOM 1279 N LYS B 15 16.974 29.793 17.955 1.00 31.48 N ATOM 1280 CA LYS B 15 16.935 29.766 19.440 1.00 31.70 C ATOM 1281 C LYS B 15 18.378 29.767 19.941 1.00 30.74 C ATOM 1282 O LYS B 15 18.803 30.659 20.642 1.00 30.57 O ATOM 1283 CB LYS B 15 16.219 28.494 19.903 1.00 35.91 C ATOM 1284 CG LYS B 15 14.780 28.435 19.316 1.00 40.53 C ATOM 1285 CD LYS B 15 13.733 28.623 20.422 1.00 42.80 C ATOM 1286 CE LYS B 15 13.552 27.308 21.181 1.00 45.27 C ATOM 1287 NZ LYS B 15 12.592 27.508 22.302 1.00 48.21 N ATOM 0 H LYS B 15 16.745 28.912 17.494 1.00 31.48 H new ATOM 0 HA LYS B 15 16.399 30.630 19.833 1.00 31.70 H new ATOM 0 HB2 LYS B 15 16.783 27.617 19.587 1.00 35.91 H new ATOM 0 HB3 LYS B 15 16.175 28.470 20.992 1.00 35.91 H new ATOM 0 HG2 LYS B 15 14.659 29.210 18.559 1.00 40.53 H new ATOM 0 HG3 LYS B 15 14.624 27.477 18.820 1.00 40.53 H new ATOM 0 HD2 LYS B 15 14.049 29.410 21.107 1.00 42.80 H new ATOM 0 HD3 LYS B 15 12.784 28.939 19.989 1.00 42.80 H new ATOM 0 HE2 LYS B 15 13.184 26.535 20.507 1.00 45.27 H new ATOM 0 HE3 LYS B 15 14.511 26.964 21.567 1.00 45.27 H new ATOM 0 HZ1 LYS B 15 12.469 26.613 22.818 1.00 48.21 H new ATOM 0 HZ2 LYS B 15 12.961 28.233 22.950 1.00 48.21 H new ATOM 0 HZ3 LYS B 15 11.675 27.817 21.922 1.00 48.21 H new ATOM 1301 N LEU B 16 19.158 28.793 19.551 1.00 26.59 N ATOM 1302 CA LEU B 16 20.588 28.774 19.977 1.00 27.03 C ATOM 1303 C LEU B 16 21.169 30.153 19.667 1.00 24.17 C ATOM 1304 O LEU B 16 21.963 30.704 20.403 1.00 23.26 O ATOM 1305 CB LEU B 16 21.328 27.688 19.179 1.00 28.15 C ATOM 1306 CG LEU B 16 22.600 27.235 19.917 1.00 28.00 C ATOM 1307 CD1 LEU B 16 22.242 26.581 21.264 1.00 30.50 C ATOM 1308 CD2 LEU B 16 23.358 26.227 19.034 1.00 26.29 C ATOM 0 H LEU B 16 18.869 28.014 18.959 1.00 26.59 H new ATOM 0 HA LEU B 16 20.690 28.554 21.040 1.00 27.03 H new ATOM 0 HB2 LEU B 16 20.670 26.834 19.023 1.00 28.15 H new ATOM 0 HB3 LEU B 16 21.592 28.071 18.193 1.00 28.15 H new ATOM 0 HG LEU B 16 23.227 28.104 20.114 1.00 28.00 H new ATOM 0 HD11 LEU B 16 23.155 26.268 21.770 1.00 30.50 H new ATOM 0 HD12 LEU B 16 21.710 27.300 21.887 1.00 30.50 H new ATOM 0 HD13 LEU B 16 21.607 25.712 21.089 1.00 30.50 H new ATOM 0 HD21 LEU B 16 24.261 25.900 19.549 1.00 26.29 H new ATOM 0 HD22 LEU B 16 22.721 25.365 18.836 1.00 26.29 H new ATOM 0 HD23 LEU B 16 23.629 26.701 18.091 1.00 26.29 H new ATOM 1320 N LEU B 17 20.720 30.712 18.584 1.00 23.83 N ATOM 1321 CA LEU B 17 21.158 32.073 18.177 1.00 25.91 C ATOM 1322 C LEU B 17 20.667 33.063 19.241 1.00 28.74 C ATOM 1323 O LEU B 17 21.335 34.020 19.577 1.00 29.35 O ATOM 1324 CB LEU B 17 20.504 32.401 16.826 1.00 23.53 C ATOM 1325 CG LEU B 17 21.233 33.572 16.118 1.00 23.31 C ATOM 1326 CD1 LEU B 17 22.343 33.041 15.180 1.00 16.92 C ATOM 1327 CD2 LEU B 17 20.226 34.393 15.288 1.00 19.75 C ATOM 0 H LEU B 17 20.053 30.274 17.949 1.00 23.83 H new ATOM 0 HA LEU B 17 22.243 32.132 18.085 1.00 25.91 H new ATOM 0 HB2 LEU B 17 20.522 31.518 16.187 1.00 23.53 H new ATOM 0 HB3 LEU B 17 19.457 32.661 16.980 1.00 23.53 H new ATOM 0 HG LEU B 17 21.685 34.202 16.884 1.00 23.31 H new ATOM 0 HD11 LEU B 17 22.841 33.880 14.694 1.00 16.92 H new ATOM 0 HD12 LEU B 17 23.071 32.475 15.761 1.00 16.92 H new ATOM 0 HD13 LEU B 17 21.901 32.394 14.423 1.00 16.92 H new ATOM 0 HD21 LEU B 17 20.746 35.214 14.794 1.00 19.75 H new ATOM 0 HD22 LEU B 17 19.764 33.751 14.537 1.00 19.75 H new ATOM 0 HD23 LEU B 17 19.455 34.795 15.945 1.00 19.75 H new ATOM 1339 N GLU B 18 19.490 32.824 19.768 1.00 30.66 N ATOM 1340 CA GLU B 18 18.925 33.730 20.810 1.00 33.61 C ATOM 1341 C GLU B 18 19.556 33.388 22.168 1.00 34.68 C ATOM 1342 O GLU B 18 19.952 34.260 22.917 1.00 34.80 O ATOM 1343 CB GLU B 18 17.375 33.575 20.832 1.00 35.91 C ATOM 1344 CG GLU B 18 16.879 32.720 22.016 1.00 37.64 C ATOM 1345 CD GLU B 18 15.366 32.527 21.898 1.00 40.24 C ATOM 1346 OE1 GLU B 18 14.681 33.506 21.654 1.00 40.89 O ATOM 1347 OE2 GLU B 18 14.918 31.403 22.054 1.00 40.39 O ATOM 0 H GLU B 18 18.895 32.034 19.517 1.00 30.66 H new ATOM 0 HA GLU B 18 19.155 34.772 20.586 1.00 33.61 H new ATOM 0 HB2 GLU B 18 16.916 34.562 20.885 1.00 35.91 H new ATOM 0 HB3 GLU B 18 17.046 33.120 19.898 1.00 35.91 H new ATOM 0 HG2 GLU B 18 17.382 31.753 22.018 1.00 37.64 H new ATOM 0 HG3 GLU B 18 17.123 33.208 22.960 1.00 37.64 H new ATOM 1354 N LYS B 19 19.657 32.125 22.485 1.00 34.95 N ATOM 1355 CA LYS B 19 20.267 31.727 23.784 1.00 36.04 C ATOM 1356 C LYS B 19 21.588 32.473 23.969 1.00 35.87 C ATOM 1357 O LYS B 19 21.877 33.004 25.024 1.00 36.90 O ATOM 1358 CB LYS B 19 20.515 30.229 23.783 1.00 36.58 C ATOM 1359 CG LYS B 19 20.693 29.757 25.221 1.00 39.52 C ATOM 1360 CD LYS B 19 21.068 28.296 25.188 1.00 41.12 C ATOM 1361 CE LYS B 19 21.179 27.746 26.611 1.00 43.76 C ATOM 1362 NZ LYS B 19 21.809 28.767 27.495 1.00 45.38 N ATOM 0 H LYS B 19 19.343 31.352 21.899 1.00 34.95 H new ATOM 0 HA LYS B 19 19.594 31.979 24.603 1.00 36.04 H new ATOM 0 HB2 LYS B 19 19.678 29.709 23.316 1.00 36.58 H new ATOM 0 HB3 LYS B 19 21.403 29.994 23.197 1.00 36.58 H new ATOM 0 HG2 LYS B 19 21.468 30.338 25.720 1.00 39.52 H new ATOM 0 HG3 LYS B 19 19.772 29.902 25.786 1.00 39.52 H new ATOM 0 HD2 LYS B 19 20.319 27.734 24.630 1.00 41.12 H new ATOM 0 HD3 LYS B 19 22.016 28.168 24.666 1.00 41.12 H new ATOM 0 HE2 LYS B 19 20.191 27.484 26.988 1.00 43.76 H new ATOM 0 HE3 LYS B 19 21.773 26.832 26.613 1.00 43.76 H new ATOM 0 HZ1 LYS B 19 22.220 28.299 28.328 1.00 45.38 H new ATOM 0 HZ2 LYS B 19 22.558 29.264 26.972 1.00 45.38 H new ATOM 0 HZ3 LYS B 19 21.089 29.451 27.803 1.00 45.38 H new ATOM 1376 N PHE B 20 22.389 32.519 22.939 1.00 35.16 N ATOM 1377 CA PHE B 20 23.693 33.226 23.015 1.00 34.19 C ATOM 1378 C PHE B 20 23.530 34.627 22.423 1.00 34.42 C ATOM 1379 O PHE B 20 24.458 35.408 22.376 1.00 33.94 O ATOM 1380 CB PHE B 20 24.710 32.437 22.199 1.00 34.18 C ATOM 1381 CG PHE B 20 25.092 31.187 22.950 1.00 32.04 C ATOM 1382 CD1 PHE B 20 24.318 30.029 22.811 1.00 31.71 C ATOM 1383 CD2 PHE B 20 26.208 31.188 23.792 1.00 34.13 C ATOM 1384 CE1 PHE B 20 24.661 28.871 23.515 1.00 31.01 C ATOM 1385 CE2 PHE B 20 26.550 30.031 24.500 1.00 33.69 C ATOM 1386 CZ PHE B 20 25.775 28.872 24.361 1.00 32.95 C ATOM 0 H PHE B 20 22.189 32.089 22.036 1.00 35.16 H new ATOM 0 HA PHE B 20 24.030 33.309 24.048 1.00 34.19 H new ATOM 0 HB2 PHE B 20 24.290 32.177 21.227 1.00 34.18 H new ATOM 0 HB3 PHE B 20 25.594 33.046 22.011 1.00 34.18 H new ATOM 0 HD1 PHE B 20 23.456 30.030 22.160 1.00 31.71 H new ATOM 0 HD2 PHE B 20 26.806 32.081 23.896 1.00 34.13 H new ATOM 0 HE1 PHE B 20 24.066 27.976 23.406 1.00 31.01 H new ATOM 0 HE2 PHE B 20 27.410 30.031 25.153 1.00 33.69 H new ATOM 0 HZ PHE B 20 26.038 27.978 24.908 1.00 32.95 H new ATOM 1396 N ARG B 21 22.345 34.942 21.973 1.00 33.90 N ATOM 1397 CA ARG B 21 22.085 36.287 21.384 1.00 35.50 C ATOM 1398 C ARG B 21 23.058 36.560 20.232 1.00 34.22 C ATOM 1399 O ARG B 21 23.497 37.676 20.039 1.00 33.41 O ATOM 1400 CB ARG B 21 22.258 37.371 22.459 1.00 38.56 C ATOM 1401 CG ARG B 21 21.355 37.075 23.669 1.00 42.96 C ATOM 1402 CD ARG B 21 19.914 37.528 23.389 1.00 46.75 C ATOM 1403 NE ARG B 21 19.892 38.954 22.915 1.00 50.46 N ATOM 1404 CZ ARG B 21 20.413 39.924 23.620 1.00 51.88 C ATOM 1405 NH1 ARG B 21 20.804 39.719 24.847 1.00 54.10 N ATOM 1406 NH2 ARG B 21 20.489 41.124 23.111 1.00 54.21 N ATOM 0 H ARG B 21 21.538 34.318 21.989 1.00 33.90 H new ATOM 0 HA ARG B 21 21.064 36.307 21.004 1.00 35.50 H new ATOM 0 HB2 ARG B 21 23.300 37.414 22.777 1.00 38.56 H new ATOM 0 HB3 ARG B 21 22.011 38.348 22.043 1.00 38.56 H new ATOM 0 HG2 ARG B 21 21.371 36.008 23.889 1.00 42.96 H new ATOM 0 HG3 ARG B 21 21.739 37.588 24.551 1.00 42.96 H new ATOM 0 HD2 ARG B 21 19.463 36.882 22.636 1.00 46.75 H new ATOM 0 HD3 ARG B 21 19.314 37.430 24.294 1.00 46.75 H new ATOM 0 HE ARG B 21 19.458 39.171 22.018 1.00 50.46 H new ATOM 0 HH11 ARG B 21 20.705 38.794 25.266 1.00 54.10 H new ATOM 0 HH12 ARG B 21 21.209 40.483 25.388 1.00 54.10 H new ATOM 0 HH21 ARG B 21 20.143 41.301 22.168 1.00 54.21 H new ATOM 0 HH22 ARG B 21 20.894 41.885 23.656 1.00 54.21 H new ATOM 1420 N TYR B 22 23.399 35.562 19.459 1.00 31.03 N ATOM 1421 CA TYR B 22 24.337 35.802 18.330 1.00 30.00 C ATOM 1422 C TYR B 22 23.601 36.603 17.222 1.00 28.60 C ATOM 1423 O TYR B 22 22.411 36.433 17.052 1.00 27.38 O ATOM 1424 CB TYR B 22 24.774 34.447 17.751 1.00 26.97 C ATOM 1425 CG TYR B 22 25.883 33.819 18.587 1.00 28.47 C ATOM 1426 CD1 TYR B 22 27.099 34.491 18.793 1.00 28.83 C ATOM 1427 CD2 TYR B 22 25.692 32.551 19.155 1.00 26.95 C ATOM 1428 CE1 TYR B 22 28.108 33.900 19.562 1.00 27.02 C ATOM 1429 CE2 TYR B 22 26.703 31.962 19.922 1.00 26.27 C ATOM 1430 CZ TYR B 22 27.910 32.637 20.127 1.00 26.46 C ATOM 1431 OH TYR B 22 28.906 32.056 20.885 1.00 23.82 O ATOM 0 H TYR B 22 23.071 34.602 19.561 1.00 31.03 H new ATOM 0 HA TYR B 22 25.205 36.360 18.681 1.00 30.00 H new ATOM 0 HB2 TYR B 22 23.918 33.773 17.713 1.00 26.97 H new ATOM 0 HB3 TYR B 22 25.120 34.582 16.726 1.00 26.97 H new ATOM 0 HD1 TYR B 22 27.256 35.466 18.357 1.00 28.83 H new ATOM 0 HD2 TYR B 22 24.761 32.027 19.000 1.00 26.95 H new ATOM 0 HE1 TYR B 22 29.041 34.421 19.719 1.00 27.02 H new ATOM 0 HE2 TYR B 22 26.551 30.985 20.356 1.00 26.27 H new ATOM 0 HH TYR B 22 28.866 32.404 21.800 1.00 23.82 H new ATOM 1441 N PRO B 23 24.318 37.429 16.475 1.00 29.13 N ATOM 1442 CA PRO B 23 23.708 38.203 15.371 1.00 28.62 C ATOM 1443 C PRO B 23 22.992 37.251 14.398 1.00 28.74 C ATOM 1444 O PRO B 23 23.062 36.050 14.531 1.00 26.54 O ATOM 1445 CB PRO B 23 24.898 38.911 14.675 1.00 29.12 C ATOM 1446 CG PRO B 23 26.188 38.535 15.459 1.00 29.87 C ATOM 1447 CD PRO B 23 25.762 37.666 16.663 1.00 29.51 C ATOM 0 HA PRO B 23 22.963 38.917 15.721 1.00 28.62 H new ATOM 0 HB2 PRO B 23 24.976 38.596 13.634 1.00 29.12 H new ATOM 0 HB3 PRO B 23 24.753 39.991 14.671 1.00 29.12 H new ATOM 0 HG2 PRO B 23 26.881 37.989 14.818 1.00 29.87 H new ATOM 0 HG3 PRO B 23 26.706 39.432 15.798 1.00 29.87 H new ATOM 0 HD2 PRO B 23 26.316 36.727 16.687 1.00 29.51 H new ATOM 0 HD3 PRO B 23 25.958 38.176 17.606 1.00 29.51 H new ATOM 1455 N TRP B 24 22.320 37.788 13.416 1.00 24.77 N ATOM 1456 CA TRP B 24 21.612 36.923 12.422 1.00 26.20 C ATOM 1457 C TRP B 24 22.620 36.394 11.404 1.00 24.23 C ATOM 1458 O TRP B 24 22.344 35.482 10.649 1.00 20.77 O ATOM 1459 CB TRP B 24 20.542 37.742 11.699 1.00 28.27 C ATOM 1460 CG TRP B 24 19.873 36.884 10.675 1.00 30.88 C ATOM 1461 CD1 TRP B 24 19.976 37.049 9.336 1.00 31.38 C ATOM 1462 CD2 TRP B 24 19.004 35.731 10.879 1.00 29.00 C ATOM 1463 NE1 TRP B 24 19.227 36.072 8.706 1.00 31.09 N ATOM 1464 CE2 TRP B 24 18.609 35.235 9.615 1.00 31.07 C ATOM 1465 CE3 TRP B 24 18.527 35.074 12.028 1.00 30.12 C ATOM 1466 CZ2 TRP B 24 17.769 34.128 9.493 1.00 31.07 C ATOM 1467 CZ3 TRP B 24 17.681 33.959 11.909 1.00 31.73 C ATOM 1468 CH2 TRP B 24 17.304 33.487 10.644 1.00 30.51 C ATOM 0 H TRP B 24 22.229 38.791 13.257 1.00 24.77 H new ATOM 0 HA TRP B 24 21.140 36.088 12.939 1.00 26.20 H new ATOM 0 HB2 TRP B 24 19.808 38.115 12.414 1.00 28.27 H new ATOM 0 HB3 TRP B 24 20.994 38.612 11.223 1.00 28.27 H new ATOM 0 HD1 TRP B 24 20.550 37.818 8.840 1.00 31.38 H new ATOM 0 HE1 TRP B 24 19.141 35.980 7.694 1.00 31.09 H new ATOM 0 HE3 TRP B 24 18.813 35.429 13.007 1.00 30.12 H new ATOM 0 HZ2 TRP B 24 17.480 33.769 8.516 1.00 31.07 H new ATOM 0 HZ3 TRP B 24 17.319 33.463 12.797 1.00 31.73 H new ATOM 0 HH2 TRP B 24 16.654 32.628 10.559 1.00 30.51 H new ATOM 1479 N GLU B 25 23.782 36.973 11.376 1.00 21.71 N ATOM 1480 CA GLU B 25 24.827 36.542 10.413 1.00 23.69 C ATOM 1481 C GLU B 25 25.408 35.183 10.827 1.00 22.17 C ATOM 1482 O GLU B 25 26.008 34.492 10.028 1.00 20.98 O ATOM 1483 CB GLU B 25 25.932 37.607 10.427 1.00 29.06 C ATOM 1484 CG GLU B 25 27.148 37.150 9.619 1.00 37.12 C ATOM 1485 CD GLU B 25 26.725 36.832 8.184 1.00 42.03 C ATOM 1486 OE1 GLU B 25 26.353 35.697 7.934 1.00 44.49 O ATOM 1487 OE2 GLU B 25 26.780 37.729 7.359 1.00 44.52 O ATOM 0 H GLU B 25 24.057 37.740 11.990 1.00 21.71 H new ATOM 0 HA GLU B 25 24.402 36.436 9.415 1.00 23.69 H new ATOM 0 HB2 GLU B 25 25.547 38.540 10.015 1.00 29.06 H new ATOM 0 HB3 GLU B 25 26.231 37.812 11.455 1.00 29.06 H new ATOM 0 HG2 GLU B 25 27.910 37.929 9.619 1.00 37.12 H new ATOM 0 HG3 GLU B 25 27.593 36.269 10.081 1.00 37.12 H new ATOM 1494 N LEU B 26 25.276 34.808 12.077 1.00 18.07 N ATOM 1495 CA LEU B 26 25.867 33.510 12.545 1.00 16.50 C ATOM 1496 C LEU B 26 24.847 32.382 12.514 1.00 16.77 C ATOM 1497 O LEU B 26 24.978 31.403 13.221 1.00 16.07 O ATOM 1498 CB LEU B 26 26.398 33.689 13.962 1.00 18.60 C ATOM 1499 CG LEU B 26 27.159 35.017 14.055 1.00 21.90 C ATOM 1500 CD1 LEU B 26 27.919 35.082 15.369 1.00 24.06 C ATOM 1501 CD2 LEU B 26 28.165 35.136 12.912 1.00 25.09 C ATOM 0 H LEU B 26 24.786 35.343 12.794 1.00 18.07 H new ATOM 0 HA LEU B 26 26.677 33.238 11.868 1.00 16.50 H new ATOM 0 HB2 LEU B 26 25.574 33.678 14.675 1.00 18.60 H new ATOM 0 HB3 LEU B 26 27.056 32.860 14.223 1.00 18.60 H new ATOM 0 HG LEU B 26 26.436 35.830 13.994 1.00 21.90 H new ATOM 0 HD11 LEU B 26 28.458 36.027 15.431 1.00 24.06 H new ATOM 0 HD12 LEU B 26 27.217 35.010 16.199 1.00 24.06 H new ATOM 0 HD13 LEU B 26 28.628 34.256 15.421 1.00 24.06 H new ATOM 0 HD21 LEU B 26 28.697 36.084 12.993 1.00 25.09 H new ATOM 0 HD22 LEU B 26 28.878 34.314 12.968 1.00 25.09 H new ATOM 0 HD23 LEU B 26 27.639 35.095 11.958 1.00 25.09 H new ATOM 1513 N MET B 27 23.861 32.470 11.672 1.00 15.51 N ATOM 1514 CA MET B 27 22.899 31.351 11.590 1.00 15.51 C ATOM 1515 C MET B 27 23.619 30.121 10.990 1.00 15.79 C ATOM 1516 O MET B 27 23.392 29.020 11.452 1.00 14.86 O ATOM 1517 CB MET B 27 21.668 31.740 10.751 1.00 16.03 C ATOM 1518 CG MET B 27 20.678 32.518 11.616 1.00 14.48 C ATOM 1519 SD MET B 27 19.920 31.414 12.839 1.00 11.00 S ATOM 1520 CE MET B 27 19.015 30.353 11.686 1.00 16.96 C ATOM 0 H MET B 27 23.683 33.256 11.047 1.00 15.51 H new ATOM 0 HA MET B 27 22.538 31.107 12.589 1.00 15.51 H new ATOM 0 HB2 MET B 27 21.974 32.346 9.898 1.00 16.03 H new ATOM 0 HB3 MET B 27 21.191 30.845 10.351 1.00 16.03 H new ATOM 0 HG2 MET B 27 21.190 33.337 12.121 1.00 14.48 H new ATOM 0 HG3 MET B 27 19.906 32.963 10.988 1.00 14.48 H new ATOM 0 HE1 MET B 27 18.020 30.151 12.082 1.00 16.96 H new ATOM 0 HE2 MET B 27 18.927 30.855 10.722 1.00 16.96 H new ATOM 0 HE3 MET B 27 19.552 29.413 11.558 1.00 16.96 H new ATOM 1530 N PRO B 28 24.493 30.314 9.999 1.00 15.25 N ATOM 1531 CA PRO B 28 25.237 29.179 9.410 1.00 16.18 C ATOM 1532 C PRO B 28 26.069 28.491 10.499 1.00 15.53 C ATOM 1533 O PRO B 28 26.299 27.306 10.452 1.00 16.52 O ATOM 1534 CB PRO B 28 26.136 29.821 8.323 1.00 16.78 C ATOM 1535 CG PRO B 28 25.600 31.255 8.105 1.00 19.84 C ATOM 1536 CD PRO B 28 24.813 31.624 9.373 1.00 17.18 C ATOM 0 HA PRO B 28 24.589 28.413 8.985 1.00 16.18 H new ATOM 0 HB2 PRO B 28 27.178 29.840 8.642 1.00 16.78 H new ATOM 0 HB3 PRO B 28 26.097 29.247 7.397 1.00 16.78 H new ATOM 0 HG2 PRO B 28 26.419 31.955 7.940 1.00 19.84 H new ATOM 0 HG3 PRO B 28 24.960 31.300 7.224 1.00 19.84 H new ATOM 0 HD2 PRO B 28 25.405 32.250 10.041 1.00 17.18 H new ATOM 0 HD3 PRO B 28 23.908 32.182 9.132 1.00 17.18 H new ATOM 1544 N LEU B 29 26.517 29.224 11.482 1.00 13.35 N ATOM 1545 CA LEU B 29 27.325 28.595 12.565 1.00 12.43 C ATOM 1546 C LEU B 29 26.389 27.870 13.532 1.00 12.94 C ATOM 1547 O LEU B 29 26.553 26.696 13.795 1.00 13.87 O ATOM 1548 CB LEU B 29 28.125 29.671 13.303 1.00 15.82 C ATOM 1549 CG LEU B 29 28.875 30.537 12.284 1.00 12.60 C ATOM 1550 CD1 LEU B 29 29.796 31.509 13.026 1.00 13.73 C ATOM 1551 CD2 LEU B 29 29.713 29.640 11.355 1.00 13.81 C ATOM 0 H LEU B 29 26.359 30.227 11.582 1.00 13.35 H new ATOM 0 HA LEU B 29 28.023 27.876 12.136 1.00 12.43 H new ATOM 0 HB2 LEU B 29 27.457 30.290 13.901 1.00 15.82 H new ATOM 0 HB3 LEU B 29 28.831 29.207 13.992 1.00 15.82 H new ATOM 0 HG LEU B 29 28.156 31.098 11.687 1.00 12.60 H new ATOM 0 HD11 LEU B 29 30.331 32.126 12.304 1.00 13.73 H new ATOM 0 HD12 LEU B 29 29.201 32.147 13.679 1.00 13.73 H new ATOM 0 HD13 LEU B 29 30.513 30.946 13.624 1.00 13.73 H new ATOM 0 HD21 LEU B 29 30.244 30.260 10.633 1.00 13.81 H new ATOM 0 HD22 LEU B 29 30.433 29.075 11.947 1.00 13.81 H new ATOM 0 HD23 LEU B 29 29.056 28.949 10.827 1.00 13.81 H new ATOM 1563 N MET B 30 25.390 28.539 14.048 1.00 13.14 N ATOM 1564 CA MET B 30 24.448 27.847 14.967 1.00 14.92 C ATOM 1565 C MET B 30 23.922 26.609 14.247 1.00 15.06 C ATOM 1566 O MET B 30 23.626 25.596 14.849 1.00 14.78 O ATOM 1567 CB MET B 30 23.269 28.765 15.295 1.00 14.70 C ATOM 1568 CG MET B 30 23.729 29.949 16.147 1.00 10.57 C ATOM 1569 SD MET B 30 24.349 29.354 17.744 1.00 7.09 S ATOM 1570 CE MET B 30 26.088 29.808 17.527 1.00 13.40 C ATOM 0 H MET B 30 25.190 29.524 13.873 1.00 13.14 H new ATOM 0 HA MET B 30 24.957 27.578 15.892 1.00 14.92 H new ATOM 0 HB2 MET B 30 22.816 29.128 14.372 1.00 14.70 H new ATOM 0 HB3 MET B 30 22.501 28.204 15.827 1.00 14.70 H new ATOM 0 HG2 MET B 30 24.511 30.501 15.626 1.00 10.57 H new ATOM 0 HG3 MET B 30 22.901 30.640 16.303 1.00 10.57 H new ATOM 0 HE1 MET B 30 26.628 29.637 18.459 1.00 13.40 H new ATOM 0 HE2 MET B 30 26.527 29.199 16.736 1.00 13.40 H new ATOM 0 HE3 MET B 30 26.158 30.861 17.255 1.00 13.40 H new ATOM 1580 N TYR B 31 23.807 26.699 12.952 1.00 13.82 N ATOM 1581 CA TYR B 31 23.302 25.548 12.159 1.00 14.24 C ATOM 1582 C TYR B 31 24.255 24.352 12.307 1.00 15.20 C ATOM 1583 O TYR B 31 23.853 23.274 12.697 1.00 15.23 O ATOM 1584 CB TYR B 31 23.201 25.957 10.684 1.00 15.18 C ATOM 1585 CG TYR B 31 22.907 24.740 9.840 1.00 19.70 C ATOM 1586 CD1 TYR B 31 23.962 23.935 9.403 1.00 21.03 C ATOM 1587 CD2 TYR B 31 21.587 24.413 9.503 1.00 22.09 C ATOM 1588 CE1 TYR B 31 23.705 22.802 8.629 1.00 22.51 C ATOM 1589 CE2 TYR B 31 21.330 23.277 8.728 1.00 25.56 C ATOM 1590 CZ TYR B 31 22.388 22.471 8.291 1.00 25.00 C ATOM 1591 OH TYR B 31 22.132 21.350 7.528 1.00 30.46 O ATOM 0 H TYR B 31 24.043 27.528 12.406 1.00 13.82 H new ATOM 0 HA TYR B 31 22.317 25.259 12.524 1.00 14.24 H new ATOM 0 HB2 TYR B 31 22.414 26.700 10.555 1.00 15.18 H new ATOM 0 HB3 TYR B 31 24.133 26.420 10.360 1.00 15.18 H new ATOM 0 HD1 TYR B 31 24.978 24.190 9.665 1.00 21.03 H new ATOM 0 HD2 TYR B 31 20.771 25.035 9.840 1.00 22.09 H new ATOM 0 HE1 TYR B 31 24.522 22.181 8.291 1.00 22.51 H new ATOM 0 HE2 TYR B 31 20.314 23.021 8.466 1.00 25.56 H new ATOM 0 HH TYR B 31 21.166 21.265 7.386 1.00 30.46 H new ATOM 1601 N VAL B 32 25.509 24.529 11.985 1.00 14.03 N ATOM 1602 CA VAL B 32 26.478 23.397 12.093 1.00 12.14 C ATOM 1603 C VAL B 32 26.513 22.868 13.529 1.00 12.91 C ATOM 1604 O VAL B 32 26.355 21.687 13.766 1.00 14.47 O ATOM 1605 CB VAL B 32 27.877 23.879 11.690 1.00 12.64 C ATOM 1606 CG1 VAL B 32 28.849 22.702 11.718 1.00 12.95 C ATOM 1607 CG2 VAL B 32 27.824 24.464 10.276 1.00 14.27 C ATOM 0 H VAL B 32 25.905 25.408 11.652 1.00 14.03 H new ATOM 0 HA VAL B 32 26.161 22.594 11.427 1.00 12.14 H new ATOM 0 HB VAL B 32 28.215 24.644 12.389 1.00 12.64 H new ATOM 0 HG11 VAL B 32 29.843 23.044 11.432 1.00 12.95 H new ATOM 0 HG12 VAL B 32 28.885 22.284 12.724 1.00 12.95 H new ATOM 0 HG13 VAL B 32 28.513 21.936 11.019 1.00 12.95 H new ATOM 0 HG21 VAL B 32 28.817 24.807 9.987 1.00 14.27 H new ATOM 0 HG22 VAL B 32 27.487 23.698 9.578 1.00 14.27 H new ATOM 0 HG23 VAL B 32 27.129 25.304 10.255 1.00 14.27 H new ATOM 1617 N ILE B 33 26.721 23.731 14.484 1.00 13.72 N ATOM 1618 CA ILE B 33 26.772 23.290 15.908 1.00 9.81 C ATOM 1619 C ILE B 33 25.637 22.290 16.194 1.00 12.06 C ATOM 1620 O ILE B 33 25.867 21.190 16.658 1.00 13.15 O ATOM 1621 CB ILE B 33 26.648 24.549 16.779 1.00 11.56 C ATOM 1622 CG1 ILE B 33 27.989 25.303 16.713 1.00 12.90 C ATOM 1623 CG2 ILE B 33 26.323 24.184 18.232 1.00 12.06 C ATOM 1624 CD1 ILE B 33 27.870 26.703 17.328 1.00 11.54 C ATOM 0 H ILE B 33 26.859 24.731 14.339 1.00 13.72 H new ATOM 0 HA ILE B 33 27.708 22.778 16.130 1.00 9.81 H new ATOM 0 HB ILE B 33 25.835 25.173 16.408 1.00 11.56 H new ATOM 0 HG12 ILE B 33 28.755 24.735 17.241 1.00 12.90 H new ATOM 0 HG13 ILE B 33 28.312 25.385 15.675 1.00 12.90 H new ATOM 0 HG21 ILE B 33 26.241 25.094 18.826 1.00 12.06 H new ATOM 0 HG22 ILE B 33 25.379 23.641 18.268 1.00 12.06 H new ATOM 0 HG23 ILE B 33 27.118 23.557 18.636 1.00 12.06 H new ATOM 0 HD11 ILE B 33 28.833 27.210 17.267 1.00 11.54 H new ATOM 0 HD12 ILE B 33 27.121 27.278 16.782 1.00 11.54 H new ATOM 0 HD13 ILE B 33 27.571 26.617 18.373 1.00 11.54 H new ATOM 1636 N LEU B 34 24.427 22.660 15.902 1.00 13.55 N ATOM 1637 CA LEU B 34 23.260 21.748 16.122 1.00 16.27 C ATOM 1638 C LEU B 34 23.463 20.454 15.305 1.00 18.00 C ATOM 1639 O LEU B 34 23.278 19.362 15.805 1.00 20.35 O ATOM 1640 CB LEU B 34 21.987 22.512 15.638 1.00 15.33 C ATOM 1641 CG LEU B 34 21.010 23.040 16.774 1.00 18.88 C ATOM 1642 CD1 LEU B 34 21.500 22.827 18.213 1.00 18.63 C ATOM 1643 CD2 LEU B 34 20.761 24.548 16.579 1.00 18.04 C ATOM 0 H LEU B 34 24.186 23.571 15.513 1.00 13.55 H new ATOM 0 HA LEU B 34 23.158 21.471 17.171 1.00 16.27 H new ATOM 0 HB2 LEU B 34 22.307 23.364 15.038 1.00 15.33 H new ATOM 0 HB3 LEU B 34 21.422 21.853 14.979 1.00 15.33 H new ATOM 0 HG LEU B 34 20.104 22.445 16.662 1.00 18.88 H new ATOM 0 HD11 LEU B 34 20.762 23.222 18.911 1.00 18.63 H new ATOM 0 HD12 LEU B 34 21.639 21.762 18.396 1.00 18.63 H new ATOM 0 HD13 LEU B 34 22.448 23.346 18.355 1.00 18.63 H new ATOM 0 HD21 LEU B 34 20.091 24.910 17.359 1.00 18.04 H new ATOM 0 HD22 LEU B 34 21.708 25.084 16.638 1.00 18.04 H new ATOM 0 HD23 LEU B 34 20.308 24.719 15.603 1.00 18.04 H new ATOM 1655 N LYS B 35 23.831 20.568 14.060 1.00 16.90 N ATOM 1656 CA LYS B 35 24.036 19.345 13.217 1.00 19.51 C ATOM 1657 C LYS B 35 24.897 18.336 13.965 1.00 18.97 C ATOM 1658 O LYS B 35 24.816 17.144 13.744 1.00 18.29 O ATOM 1659 CB LYS B 35 24.745 19.739 11.913 1.00 23.32 C ATOM 1660 CG LYS B 35 24.654 18.584 10.914 1.00 27.46 C ATOM 1661 CD LYS B 35 25.278 19.008 9.582 1.00 30.03 C ATOM 1662 CE LYS B 35 25.157 17.863 8.574 1.00 33.24 C ATOM 1663 NZ LYS B 35 26.060 18.122 7.417 1.00 34.14 N ATOM 0 H LYS B 35 24.000 21.454 13.584 1.00 16.90 H new ATOM 0 HA LYS B 35 23.067 18.899 12.995 1.00 19.51 H new ATOM 0 HB2 LYS B 35 24.286 20.634 11.493 1.00 23.32 H new ATOM 0 HB3 LYS B 35 25.789 19.980 12.113 1.00 23.32 H new ATOM 0 HG2 LYS B 35 25.171 17.708 11.307 1.00 27.46 H new ATOM 0 HG3 LYS B 35 23.612 18.300 10.765 1.00 27.46 H new ATOM 0 HD2 LYS B 35 24.777 19.897 9.200 1.00 30.03 H new ATOM 0 HD3 LYS B 35 26.326 19.270 9.726 1.00 30.03 H new ATOM 0 HE2 LYS B 35 25.419 16.917 9.049 1.00 33.24 H new ATOM 0 HE3 LYS B 35 24.126 17.773 8.231 1.00 33.24 H new ATOM 0 HZ1 LYS B 35 25.978 17.344 6.732 1.00 34.14 H new ATOM 0 HZ2 LYS B 35 25.790 19.016 6.960 1.00 34.14 H new ATOM 0 HZ3 LYS B 35 27.043 18.187 7.751 1.00 34.14 H new ATOM 1677 N ASP B 36 25.734 18.810 14.830 1.00 17.40 N ATOM 1678 CA ASP B 36 26.632 17.904 15.589 1.00 17.99 C ATOM 1679 C ASP B 36 25.950 17.417 16.867 1.00 20.53 C ATOM 1680 O ASP B 36 26.034 16.260 17.229 1.00 21.50 O ATOM 1681 CB ASP B 36 27.883 18.696 15.929 1.00 17.75 C ATOM 1682 CG ASP B 36 28.322 19.461 14.678 1.00 19.30 C ATOM 1683 OD1 ASP B 36 28.501 18.826 13.652 1.00 17.31 O ATOM 1684 OD2 ASP B 36 28.471 20.668 14.768 1.00 18.21 O ATOM 0 H ASP B 36 25.839 19.801 15.049 1.00 17.40 H new ATOM 0 HA ASP B 36 26.879 17.024 14.995 1.00 17.99 H new ATOM 0 HB2 ASP B 36 27.684 19.388 16.747 1.00 17.75 H new ATOM 0 HB3 ASP B 36 28.676 18.028 16.263 1.00 17.75 H new ATOM 1689 N ALA B 37 25.292 18.298 17.560 1.00 17.76 N ATOM 1690 CA ALA B 37 24.617 17.910 18.829 1.00 20.31 C ATOM 1691 C ALA B 37 23.243 17.315 18.543 1.00 21.98 C ATOM 1692 O ALA B 37 22.302 17.533 19.280 1.00 20.93 O ATOM 1693 CB ALA B 37 24.449 19.153 19.681 1.00 16.79 C ATOM 0 H ALA B 37 25.191 19.279 17.301 1.00 17.76 H new ATOM 0 HA ALA B 37 25.221 17.164 19.346 1.00 20.31 H new ATOM 0 HB1 ALA B 37 23.956 18.889 20.616 1.00 16.79 H new ATOM 0 HB2 ALA B 37 25.428 19.582 19.896 1.00 16.79 H new ATOM 0 HB3 ALA B 37 23.843 19.883 19.144 1.00 16.79 H new ATOM 1699 N ASP B 38 23.105 16.575 17.486 1.00 22.08 N ATOM 1700 CA ASP B 38 21.775 15.992 17.182 1.00 24.70 C ATOM 1701 C ASP B 38 20.754 17.129 17.132 1.00 27.43 C ATOM 1702 O ASP B 38 19.560 16.917 17.190 1.00 26.89 O ATOM 1703 CB ASP B 38 21.398 14.990 18.283 1.00 26.17 C ATOM 1704 CG ASP B 38 20.359 13.999 17.752 1.00 26.41 C ATOM 1705 OD1 ASP B 38 19.233 14.413 17.530 1.00 29.79 O ATOM 1706 OD2 ASP B 38 20.707 12.843 17.577 1.00 30.65 O ATOM 0 H ASP B 38 23.847 16.349 16.824 1.00 22.08 H new ATOM 0 HA ASP B 38 21.793 15.471 16.225 1.00 24.70 H new ATOM 0 HB2 ASP B 38 22.286 14.454 18.619 1.00 26.17 H new ATOM 0 HB3 ASP B 38 20.999 15.520 19.148 1.00 26.17 H new ATOM 1711 N ALA B 39 21.237 18.337 17.026 1.00 25.83 N ATOM 1712 CA ALA B 39 20.342 19.520 16.969 1.00 28.40 C ATOM 1713 C ALA B 39 19.744 19.796 18.354 1.00 30.32 C ATOM 1714 O ALA B 39 18.875 20.631 18.510 1.00 32.55 O ATOM 1715 CB ALA B 39 19.234 19.275 15.943 1.00 28.82 C ATOM 0 H ALA B 39 22.232 18.554 16.976 1.00 25.83 H new ATOM 0 HA ALA B 39 20.917 20.394 16.664 1.00 28.40 H new ATOM 0 HB1 ALA B 39 18.577 20.144 15.902 1.00 28.82 H new ATOM 0 HB2 ALA B 39 19.677 19.109 14.961 1.00 28.82 H new ATOM 0 HB3 ALA B 39 18.656 18.397 16.234 1.00 28.82 H new ATOM 1721 N ASN B 40 20.213 19.112 19.364 1.00 29.50 N ATOM 1722 CA ASN B 40 19.681 19.349 20.738 1.00 32.01 C ATOM 1723 C ASN B 40 20.401 20.561 21.344 1.00 32.47 C ATOM 1724 O ASN B 40 21.560 20.493 21.704 1.00 29.40 O ATOM 1725 CB ASN B 40 19.930 18.104 21.605 1.00 33.06 C ATOM 1726 CG ASN B 40 18.792 17.097 21.419 1.00 33.55 C ATOM 1727 OD1 ASN B 40 18.256 16.958 20.338 1.00 35.11 O ATOM 1728 ND2 ASN B 40 18.403 16.386 22.439 1.00 33.85 N ATOM 0 H ASN B 40 20.941 18.400 19.297 1.00 29.50 H new ATOM 0 HA ASN B 40 18.609 19.543 20.697 1.00 32.01 H new ATOM 0 HB2 ASN B 40 20.880 17.645 21.332 1.00 33.06 H new ATOM 0 HB3 ASN B 40 20.004 18.391 22.654 1.00 33.06 H new ATOM 0 HD21 ASN B 40 17.646 15.710 22.331 1.00 33.85 H new ATOM 0 HD22 ASN B 40 18.855 16.505 23.346 1.00 33.85 H new ATOM 1735 N ILE B 41 19.722 21.668 21.449 1.00 33.58 N ATOM 1736 CA ILE B 41 20.356 22.892 22.020 1.00 35.14 C ATOM 1737 C ILE B 41 21.060 22.553 23.334 1.00 34.57 C ATOM 1738 O ILE B 41 22.233 22.813 23.498 1.00 33.97 O ATOM 1739 CB ILE B 41 19.266 23.950 22.254 1.00 38.72 C ATOM 1740 CG1 ILE B 41 18.789 24.442 20.871 1.00 39.13 C ATOM 1741 CG2 ILE B 41 19.799 25.131 23.130 1.00 40.27 C ATOM 1742 CD1 ILE B 41 17.769 25.577 21.011 1.00 40.55 C ATOM 0 H ILE B 41 18.749 21.780 21.163 1.00 33.58 H new ATOM 0 HA ILE B 41 21.100 23.283 21.325 1.00 35.14 H new ATOM 0 HB ILE B 41 18.431 23.516 22.804 1.00 38.72 H new ATOM 0 HG12 ILE B 41 19.644 24.787 20.290 1.00 39.13 H new ATOM 0 HG13 ILE B 41 18.343 23.614 20.321 1.00 39.13 H new ATOM 0 HG21 ILE B 41 19.004 25.862 23.277 1.00 40.27 H new ATOM 0 HG22 ILE B 41 20.124 24.749 24.098 1.00 40.27 H new ATOM 0 HG23 ILE B 41 20.641 25.606 22.627 1.00 40.27 H new ATOM 0 HD11 ILE B 41 17.450 25.904 20.021 1.00 40.55 H new ATOM 0 HD12 ILE B 41 16.904 25.222 21.572 1.00 40.55 H new ATOM 0 HD13 ILE B 41 18.226 26.414 21.540 1.00 40.55 H new ATOM 1754 N GLU B 42 20.361 21.983 24.273 1.00 35.46 N ATOM 1755 CA GLU B 42 21.008 21.643 25.573 1.00 34.62 C ATOM 1756 C GLU B 42 22.342 20.937 25.318 1.00 31.10 C ATOM 1757 O GLU B 42 23.338 21.222 25.953 1.00 29.48 O ATOM 1758 CB GLU B 42 20.085 20.720 26.370 1.00 40.18 C ATOM 1759 CG GLU B 42 18.770 21.446 26.665 1.00 46.15 C ATOM 1760 CD GLU B 42 17.898 20.579 27.575 1.00 50.80 C ATOM 1761 OE1 GLU B 42 18.262 20.412 28.727 1.00 53.92 O ATOM 1762 OE2 GLU B 42 16.881 20.097 27.104 1.00 52.61 O ATOM 0 H GLU B 42 19.374 21.738 24.199 1.00 35.46 H new ATOM 0 HA GLU B 42 21.189 22.557 26.138 1.00 34.62 H new ATOM 0 HB2 GLU B 42 19.891 19.807 25.807 1.00 40.18 H new ATOM 0 HB3 GLU B 42 20.566 20.423 27.302 1.00 40.18 H new ATOM 0 HG2 GLU B 42 18.971 22.405 27.143 1.00 46.15 H new ATOM 0 HG3 GLU B 42 18.243 21.658 25.735 1.00 46.15 H new ATOM 1769 N GLU B 43 22.369 20.024 24.390 1.00 26.75 N ATOM 1770 CA GLU B 43 23.638 19.304 24.089 1.00 25.31 C ATOM 1771 C GLU B 43 24.532 20.195 23.225 1.00 22.10 C ATOM 1772 O GLU B 43 25.741 20.112 23.278 1.00 21.22 O ATOM 1773 CB GLU B 43 23.322 18.014 23.330 1.00 24.85 C ATOM 1774 CG GLU B 43 24.625 17.335 22.896 1.00 27.31 C ATOM 1775 CD GLU B 43 24.325 15.919 22.401 1.00 29.91 C ATOM 1776 OE1 GLU B 43 23.309 15.375 22.801 1.00 28.72 O ATOM 1777 OE2 GLU B 43 25.116 15.402 21.629 1.00 30.00 O ATOM 0 H GLU B 43 21.567 19.744 23.826 1.00 26.75 H new ATOM 0 HA GLU B 43 24.152 19.063 25.020 1.00 25.31 H new ATOM 0 HB2 GLU B 43 22.744 17.341 23.963 1.00 24.85 H new ATOM 0 HB3 GLU B 43 22.708 18.236 22.457 1.00 24.85 H new ATOM 0 HG2 GLU B 43 25.103 17.914 22.106 1.00 27.31 H new ATOM 0 HG3 GLU B 43 25.324 17.299 23.732 1.00 27.31 H new ATOM 1784 N ALA B 44 23.945 21.049 22.425 1.00 21.46 N ATOM 1785 CA ALA B 44 24.763 21.944 21.555 1.00 22.00 C ATOM 1786 C ALA B 44 25.279 23.124 22.385 1.00 21.74 C ATOM 1787 O ALA B 44 26.387 23.587 22.201 1.00 19.07 O ATOM 1788 CB ALA B 44 23.903 22.428 20.368 1.00 22.06 C ATOM 0 H ALA B 44 22.935 21.164 22.338 1.00 21.46 H new ATOM 0 HA ALA B 44 25.622 21.403 21.157 1.00 22.00 H new ATOM 0 HB1 ALA B 44 24.498 23.082 19.731 1.00 22.06 H new ATOM 0 HB2 ALA B 44 23.564 21.568 19.790 1.00 22.06 H new ATOM 0 HB3 ALA B 44 23.039 22.976 20.744 1.00 22.06 H new ATOM 1794 N SER B 45 24.492 23.603 23.303 1.00 21.72 N ATOM 1795 CA SER B 45 24.943 24.741 24.150 1.00 24.00 C ATOM 1796 C SER B 45 26.155 24.301 24.973 1.00 24.30 C ATOM 1797 O SER B 45 27.127 25.018 25.102 1.00 23.27 O ATOM 1798 CB SER B 45 23.807 25.146 25.089 1.00 25.03 C ATOM 1799 OG SER B 45 23.764 24.248 26.192 1.00 28.51 O ATOM 0 H SER B 45 23.554 23.256 23.505 1.00 21.72 H new ATOM 0 HA SER B 45 25.216 25.589 23.522 1.00 24.00 H new ATOM 0 HB2 SER B 45 23.958 26.166 25.442 1.00 25.03 H new ATOM 0 HB3 SER B 45 22.856 25.131 24.556 1.00 25.03 H new ATOM 0 HG SER B 45 23.553 23.346 25.872 1.00 28.51 H new ATOM 1805 N ARG B 46 26.099 23.123 25.526 1.00 26.45 N ATOM 1806 CA ARG B 46 27.236 22.617 26.343 1.00 27.79 C ATOM 1807 C ARG B 46 28.543 22.779 25.563 1.00 26.86 C ATOM 1808 O ARG B 46 29.592 23.012 26.130 1.00 25.99 O ATOM 1809 CB ARG B 46 26.999 21.135 26.653 1.00 31.64 C ATOM 1810 CG ARG B 46 25.902 20.987 27.735 1.00 39.02 C ATOM 1811 CD ARG B 46 26.543 20.844 29.120 1.00 43.92 C ATOM 1812 NE ARG B 46 27.170 19.498 29.233 1.00 48.12 N ATOM 1813 CZ ARG B 46 28.032 19.256 30.182 1.00 50.42 C ATOM 1814 NH1 ARG B 46 28.342 20.193 31.036 1.00 52.31 N ATOM 1815 NH2 ARG B 46 28.583 18.077 30.277 1.00 52.39 N ATOM 0 H ARG B 46 25.308 22.484 25.447 1.00 26.45 H new ATOM 0 HA ARG B 46 27.306 23.183 27.272 1.00 27.79 H new ATOM 0 HB2 ARG B 46 26.700 20.609 25.746 1.00 31.64 H new ATOM 0 HB3 ARG B 46 27.925 20.675 26.998 1.00 31.64 H new ATOM 0 HG2 ARG B 46 25.244 21.856 27.718 1.00 39.02 H new ATOM 0 HG3 ARG B 46 25.284 20.115 27.520 1.00 39.02 H new ATOM 0 HD2 ARG B 46 27.293 21.621 29.269 1.00 43.92 H new ATOM 0 HD3 ARG B 46 25.790 20.974 29.897 1.00 43.92 H new ATOM 0 HE ARG B 46 26.925 18.765 28.568 1.00 48.12 H new ATOM 0 HH11 ARG B 46 27.910 21.114 30.961 1.00 52.31 H new ATOM 0 HH12 ARG B 46 29.016 20.004 31.778 1.00 52.31 H new ATOM 0 HH21 ARG B 46 28.340 17.345 29.609 1.00 52.39 H new ATOM 0 HH22 ARG B 46 29.257 17.887 31.019 1.00 52.39 H new ATOM 1829 N ARG B 47 28.486 22.660 24.267 1.00 22.86 N ATOM 1830 CA ARG B 47 29.723 22.812 23.449 1.00 20.88 C ATOM 1831 C ARG B 47 30.079 24.292 23.371 1.00 18.23 C ATOM 1832 O ARG B 47 31.139 24.711 23.792 1.00 21.17 O ATOM 1833 CB ARG B 47 29.477 22.244 22.045 1.00 19.97 C ATOM 1834 CG ARG B 47 28.602 20.988 22.162 1.00 21.43 C ATOM 1835 CD ARG B 47 28.478 20.272 20.806 1.00 22.98 C ATOM 1836 NE ARG B 47 28.406 18.803 21.048 1.00 20.54 N ATOM 1837 CZ ARG B 47 28.036 18.000 20.091 1.00 24.59 C ATOM 1838 NH1 ARG B 47 27.754 18.478 18.914 1.00 24.12 N ATOM 1839 NH2 ARG B 47 27.949 16.718 20.312 1.00 16.51 N ATOM 0 H ARG B 47 27.637 22.464 23.737 1.00 22.86 H new ATOM 0 HA ARG B 47 30.549 22.267 23.905 1.00 20.88 H new ATOM 0 HB2 ARG B 47 28.986 22.988 21.418 1.00 19.97 H new ATOM 0 HB3 ARG B 47 30.425 21.999 21.566 1.00 19.97 H new ATOM 0 HG2 ARG B 47 29.032 20.308 22.898 1.00 21.43 H new ATOM 0 HG3 ARG B 47 27.611 21.263 22.523 1.00 21.43 H new ATOM 0 HD2 ARG B 47 27.587 20.613 20.279 1.00 22.98 H new ATOM 0 HD3 ARG B 47 29.333 20.510 20.173 1.00 22.98 H new ATOM 0 HE ARG B 47 28.647 18.426 21.965 1.00 20.54 H new ATOM 0 HH11 ARG B 47 27.823 19.481 18.741 1.00 24.12 H new ATOM 0 HH12 ARG B 47 27.464 17.850 18.164 1.00 24.12 H new ATOM 0 HH21 ARG B 47 28.171 16.343 21.234 1.00 16.51 H new ATOM 0 HH22 ARG B 47 27.659 16.090 19.562 1.00 16.51 H new ATOM 1853 N ILE B 48 29.186 25.095 22.865 1.00 16.11 N ATOM 1854 CA ILE B 48 29.452 26.559 22.793 1.00 18.86 C ATOM 1855 C ILE B 48 29.939 27.014 24.157 1.00 23.26 C ATOM 1856 O ILE B 48 31.012 27.561 24.305 1.00 21.90 O ATOM 1857 CB ILE B 48 28.158 27.283 22.443 1.00 18.65 C ATOM 1858 CG1 ILE B 48 27.566 26.631 21.195 1.00 19.26 C ATOM 1859 CG2 ILE B 48 28.466 28.756 22.175 1.00 21.02 C ATOM 1860 CD1 ILE B 48 26.343 27.418 20.705 1.00 15.25 C ATOM 0 H ILE B 48 28.281 24.800 22.497 1.00 16.11 H new ATOM 0 HA ILE B 48 30.202 26.779 22.033 1.00 18.86 H new ATOM 0 HB ILE B 48 27.444 27.217 23.264 1.00 18.65 H new ATOM 0 HG12 ILE B 48 28.318 26.590 20.408 1.00 19.26 H new ATOM 0 HG13 ILE B 48 27.279 25.603 21.416 1.00 19.26 H new ATOM 0 HG21 ILE B 48 27.544 29.281 21.924 1.00 21.02 H new ATOM 0 HG22 ILE B 48 28.907 29.203 23.066 1.00 21.02 H new ATOM 0 HG23 ILE B 48 29.167 28.836 21.344 1.00 21.02 H new ATOM 0 HD11 ILE B 48 25.935 26.939 19.815 1.00 15.25 H new ATOM 0 HD12 ILE B 48 25.585 27.436 21.488 1.00 15.25 H new ATOM 0 HD13 ILE B 48 26.640 28.439 20.464 1.00 15.25 H new ATOM 1872 N GLU B 49 29.155 26.756 25.156 1.00 24.41 N ATOM 1873 CA GLU B 49 29.540 27.131 26.542 1.00 29.72 C ATOM 1874 C GLU B 49 30.991 26.756 26.792 1.00 31.01 C ATOM 1875 O GLU B 49 31.832 27.597 27.040 1.00 30.32 O ATOM 1876 CB GLU B 49 28.698 26.311 27.500 1.00 30.86 C ATOM 1877 CG GLU B 49 27.287 26.896 27.613 1.00 35.37 C ATOM 1878 CD GLU B 49 26.556 26.251 28.792 1.00 37.77 C ATOM 1879 OE1 GLU B 49 27.227 25.722 29.663 1.00 38.92 O ATOM 1880 OE2 GLU B 49 25.337 26.297 28.805 1.00 38.78 O ATOM 0 H GLU B 49 28.249 26.294 25.073 1.00 24.41 H new ATOM 0 HA GLU B 49 29.395 28.202 26.682 1.00 29.72 H new ATOM 0 HB2 GLU B 49 28.643 25.279 27.153 1.00 30.86 H new ATOM 0 HB3 GLU B 49 29.170 26.292 28.483 1.00 30.86 H new ATOM 0 HG2 GLU B 49 27.340 27.976 27.752 1.00 35.37 H new ATOM 0 HG3 GLU B 49 26.735 26.720 26.690 1.00 35.37 H new ATOM 1887 N GLU B 50 31.289 25.484 26.712 1.00 31.22 N ATOM 1888 CA GLU B 50 32.687 25.041 26.927 1.00 30.52 C ATOM 1889 C GLU B 50 33.545 25.906 26.030 1.00 30.97 C ATOM 1890 O GLU B 50 34.544 26.426 26.428 1.00 30.11 O ATOM 1891 CB GLU B 50 32.814 23.550 26.546 1.00 33.65 C ATOM 1892 CG GLU B 50 33.914 22.877 27.376 1.00 34.45 C ATOM 1893 CD GLU B 50 33.928 21.376 27.083 1.00 36.26 C ATOM 1894 OE1 GLU B 50 33.523 21.000 25.996 1.00 36.07 O ATOM 1895 OE2 GLU B 50 34.344 20.627 27.952 1.00 35.94 O ATOM 0 H GLU B 50 30.622 24.740 26.507 1.00 31.22 H new ATOM 0 HA GLU B 50 32.997 25.141 27.967 1.00 30.52 H new ATOM 0 HB2 GLU B 50 31.863 23.044 26.712 1.00 33.65 H new ATOM 0 HB3 GLU B 50 33.043 23.458 25.484 1.00 33.65 H new ATOM 0 HG2 GLU B 50 34.884 23.314 27.137 1.00 34.45 H new ATOM 0 HG3 GLU B 50 33.740 23.049 28.438 1.00 34.45 H new ATOM 1902 N GLY B 51 33.095 26.093 24.832 1.00 0.00 N ATOM 1903 CA GLY B 51 33.821 26.952 23.863 1.00 0.00 C ATOM 1904 C GLY B 51 34.051 28.349 24.459 1.00 0.00 C ATOM 1905 O GLY B 51 35.162 28.804 24.634 1.00 0.00 O ATOM 0 H GLY B 51 32.235 25.679 24.472 1.00 0.00 H new ATOM 0 HA2 GLY B 51 34.777 26.496 23.607 1.00 0.00 H new ATOM 0 HA3 GLY B 51 33.249 27.033 22.938 1.00 0.00 H new ATOM 1909 N GLN B 52 32.987 29.042 24.756 1.00 30.19 N ATOM 1910 CA GLN B 52 33.116 30.417 25.330 1.00 33.26 C ATOM 1911 C GLN B 52 34.120 30.370 26.469 1.00 34.21 C ATOM 1912 O GLN B 52 35.061 31.134 26.531 1.00 33.27 O ATOM 1913 CB GLN B 52 31.764 30.879 25.887 1.00 34.36 C ATOM 1914 CG GLN B 52 30.649 30.690 24.838 1.00 37.06 C ATOM 1915 CD GLN B 52 30.473 31.958 24.000 1.00 39.18 C ATOM 1916 OE1 GLN B 52 29.294 32.236 23.519 1.00 39.82 O flip ATOM 1917 NE2 GLN B 52 31.413 32.696 23.782 1.00 40.80 N flip ATOM 0 H GLN B 52 32.029 28.717 24.627 1.00 30.19 H new ATOM 0 HA GLN B 52 33.443 31.108 24.553 1.00 33.26 H new ATOM 0 HB2 GLN B 52 31.523 30.313 26.787 1.00 34.36 H new ATOM 0 HB3 GLN B 52 31.824 31.928 26.177 1.00 34.36 H new ATOM 0 HG2 GLN B 52 30.893 29.850 24.188 1.00 37.06 H new ATOM 0 HG3 GLN B 52 29.711 30.445 25.337 1.00 37.06 H new ATOM 0 HE21 GLN B 52 32.334 32.474 24.161 1.00 40.80 H new ATOM 0 HE22 GLN B 52 31.281 33.537 23.220 1.00 40.80 H new ATOM 1926 N TYR B 53 33.918 29.454 27.360 1.00 35.76 N ATOM 1927 CA TYR B 53 34.843 29.304 28.507 1.00 38.60 C ATOM 1928 C TYR B 53 36.198 28.856 27.966 1.00 39.68 C ATOM 1929 O TYR B 53 37.236 29.368 28.328 1.00 39.52 O ATOM 1930 CB TYR B 53 34.276 28.235 29.454 1.00 40.83 C ATOM 1931 CG TYR B 53 35.381 27.658 30.305 1.00 43.21 C ATOM 1932 CD1 TYR B 53 36.188 26.644 29.794 1.00 44.13 C ATOM 1933 CD2 TYR B 53 35.596 28.144 31.588 1.00 43.89 C ATOM 1934 CE1 TYR B 53 37.216 26.109 30.568 1.00 47.20 C ATOM 1935 CE2 TYR B 53 36.627 27.614 32.375 1.00 46.12 C ATOM 1936 CZ TYR B 53 37.439 26.593 31.863 1.00 46.20 C ATOM 1937 OH TYR B 53 38.456 26.066 32.633 1.00 48.95 O ATOM 0 H TYR B 53 33.141 28.793 27.344 1.00 35.76 H new ATOM 0 HA TYR B 53 34.955 30.243 29.049 1.00 38.60 H new ATOM 0 HB2 TYR B 53 33.507 28.673 30.090 1.00 40.83 H new ATOM 0 HB3 TYR B 53 33.799 27.443 28.877 1.00 40.83 H new ATOM 0 HD1 TYR B 53 36.016 26.271 28.795 1.00 44.13 H new ATOM 0 HD2 TYR B 53 34.968 28.931 31.979 1.00 43.89 H new ATOM 0 HE1 TYR B 53 37.840 25.322 30.170 1.00 47.20 H new ATOM 0 HE2 TYR B 53 36.795 27.991 33.373 1.00 46.12 H new ATOM 0 HH TYR B 53 38.473 26.515 33.504 1.00 48.95 H new ATOM 1947 N VAL B 54 36.173 27.893 27.102 1.00 39.35 N ATOM 1948 CA VAL B 54 37.424 27.365 26.510 1.00 40.00 C ATOM 1949 C VAL B 54 38.221 28.543 25.942 1.00 40.47 C ATOM 1950 O VAL B 54 39.300 28.864 26.400 1.00 39.23 O ATOM 1951 CB VAL B 54 37.006 26.404 25.393 1.00 40.33 C ATOM 1952 CG1 VAL B 54 38.095 26.250 24.359 1.00 40.58 C ATOM 1953 CG2 VAL B 54 36.603 25.013 25.949 1.00 39.92 C ATOM 0 H VAL B 54 35.321 27.439 26.773 1.00 39.35 H new ATOM 0 HA VAL B 54 38.046 26.846 27.240 1.00 40.00 H new ATOM 0 HB VAL B 54 36.132 26.846 24.914 1.00 40.33 H new ATOM 0 HG11 VAL B 54 37.764 25.561 23.582 1.00 40.58 H new ATOM 0 HG12 VAL B 54 38.314 27.221 23.914 1.00 40.58 H new ATOM 0 HG13 VAL B 54 38.994 25.857 24.833 1.00 40.58 H new ATOM 0 HG21 VAL B 54 36.313 24.362 25.124 1.00 39.92 H new ATOM 0 HG22 VAL B 54 37.449 24.574 26.479 1.00 39.92 H new ATOM 0 HG23 VAL B 54 35.764 25.125 26.635 1.00 39.92 H new ATOM 1963 N VAL B 55 37.680 29.186 24.947 1.00 40.13 N ATOM 1964 CA VAL B 55 38.374 30.348 24.332 1.00 42.29 C ATOM 1965 C VAL B 55 38.714 31.352 25.431 1.00 43.82 C ATOM 1966 O VAL B 55 39.856 31.721 25.618 1.00 43.78 O ATOM 1967 CB VAL B 55 37.441 30.991 23.298 1.00 41.62 C ATOM 1968 CG1 VAL B 55 38.152 32.142 22.571 1.00 42.45 C ATOM 1969 CG2 VAL B 55 37.023 29.926 22.282 1.00 41.12 C ATOM 0 H VAL B 55 36.779 28.954 24.530 1.00 40.13 H new ATOM 0 HA VAL B 55 39.292 30.030 23.837 1.00 42.29 H new ATOM 0 HB VAL B 55 36.565 31.393 23.807 1.00 41.62 H new ATOM 0 HG11 VAL B 55 37.474 32.585 21.842 1.00 42.45 H new ATOM 0 HG12 VAL B 55 38.452 32.900 23.295 1.00 42.45 H new ATOM 0 HG13 VAL B 55 39.035 31.759 22.060 1.00 42.45 H new ATOM 0 HG21 VAL B 55 36.359 30.371 21.541 1.00 41.12 H new ATOM 0 HG22 VAL B 55 37.908 29.530 21.785 1.00 41.12 H new ATOM 0 HG23 VAL B 55 36.503 29.117 22.796 1.00 41.12 H new ATOM 1979 N ASN B 56 37.731 31.791 26.166 1.00 44.48 N ATOM 1980 CA ASN B 56 38.003 32.762 27.259 1.00 47.06 C ATOM 1981 C ASN B 56 39.134 32.213 28.128 1.00 47.69 C ATOM 1982 O ASN B 56 40.136 32.864 28.344 1.00 47.82 O ATOM 1983 CB ASN B 56 36.740 32.942 28.107 1.00 46.90 C ATOM 1984 CG ASN B 56 35.640 33.581 27.257 1.00 47.81 C ATOM 1985 OD1 ASN B 56 35.890 34.029 26.156 1.00 48.43 O ATOM 1986 ND2 ASN B 56 34.424 33.641 27.726 1.00 47.03 N ATOM 0 H ASN B 56 36.754 31.520 26.057 1.00 44.48 H new ATOM 0 HA ASN B 56 38.291 33.727 26.841 1.00 47.06 H new ATOM 0 HB2 ASN B 56 36.405 31.977 28.489 1.00 46.90 H new ATOM 0 HB3 ASN B 56 36.956 33.569 28.972 1.00 46.90 H new ATOM 0 HD21 ASN B 56 33.682 34.064 27.168 1.00 47.03 H new ATOM 0 HD22 ASN B 56 34.215 33.265 28.651 1.00 47.03 H new ATOM 1993 N GLU B 57 38.984 31.009 28.610 1.00 49.57 N ATOM 1994 CA GLU B 57 40.050 30.399 29.455 1.00 51.35 C ATOM 1995 C GLU B 57 41.395 30.541 28.749 1.00 52.18 C ATOM 1996 O GLU B 57 42.353 31.030 29.313 1.00 52.13 O ATOM 1997 CB GLU B 57 39.746 28.912 29.663 1.00 52.66 C ATOM 1998 CG GLU B 57 40.734 28.310 30.671 1.00 53.83 C ATOM 1999 CD GLU B 57 42.079 28.048 29.988 1.00 55.85 C ATOM 2000 OE1 GLU B 57 42.071 27.501 28.897 1.00 57.10 O ATOM 2001 OE2 GLU B 57 43.094 28.399 30.567 1.00 56.34 O ATOM 0 H GLU B 57 38.166 30.420 28.454 1.00 49.57 H new ATOM 0 HA GLU B 57 40.084 30.905 30.420 1.00 51.35 H new ATOM 0 HB2 GLU B 57 38.725 28.788 30.024 1.00 52.66 H new ATOM 0 HB3 GLU B 57 39.815 28.382 28.713 1.00 52.66 H new ATOM 0 HG2 GLU B 57 40.869 28.990 31.512 1.00 53.83 H new ATOM 0 HG3 GLU B 57 40.334 27.380 31.075 1.00 53.83 H new