USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 823 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 22 TYR OH : rot -49:sc= -1.74! USER MOD Set 1.2: B 52 GLN : amide:sc= -3.79! C(o=-5.5!,f=-5.4!) USER MOD Set 2.1: A 22 TYR OH : rot -75:sc= -1.94! USER MOD Set 2.2: A 52 GLN : amide:sc= -4.66! C(o=-6.6!,f=-5.9!) USER MOD Set 3.1: A 31 TYR OH : rot 165:sc= 0 USER MOD Set 3.2: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot -64:sc= -0.638 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= -0.0885 (180deg=-0.707) USER MOD Single : A 27 MET CE :methyl 174:sc= 0 (180deg=-0.0156) USER MOD Single : A 30 MET CE :methyl -152:sc= -0.0534 (180deg=-2.26) USER MOD Single : A 40 ASN : amide:sc= -2.04 K(o=-2,f=-0.054) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.162 USER MOD Single : A 56 ASN : amide:sc= -2.16! C(o=-2.2!,f=-5.1!) USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 CYS SG : rot 80:sc= -1.23 USER MOD Single : B 14 GLN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.36) USER MOD Single : B 27 MET CE :methyl -102:sc= -0.0089 (180deg=-2.53!) USER MOD Single : B 30 MET CE :methyl -166:sc= -0.201 (180deg=-1.1) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 164:sc= -0.0183 (180deg=-0.282) USER MOD Single : B 40 ASN : amide:sc= -0.948 K(o=-0.95,f=-0.24) USER MOD Single : B 45 SER OG : rot 180:sc= 0 USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 56 ASN : amide:sc= -2.67! K(o=-2.7!,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 106 N PHE A 9 45.151 21.987 21.273 1.00 0.27 N ATOM 107 CA PHE A 9 43.717 22.086 20.885 1.00 0.25 C ATOM 108 C PHE A 9 43.445 23.480 20.319 1.00 0.25 C ATOM 109 O PHE A 9 42.843 23.629 19.274 1.00 0.36 O ATOM 110 CB PHE A 9 42.851 21.850 22.127 1.00 0.23 C ATOM 111 CG PHE A 9 41.443 21.513 21.712 1.00 0.19 C ATOM 112 CD1 PHE A 9 40.509 22.535 21.520 1.00 0.20 C ATOM 113 CD2 PHE A 9 41.072 20.178 21.519 1.00 0.19 C ATOM 114 CE1 PHE A 9 39.203 22.223 21.136 1.00 0.21 C ATOM 115 CE2 PHE A 9 39.765 19.867 21.133 1.00 0.19 C ATOM 116 CZ PHE A 9 38.831 20.891 20.942 1.00 0.20 C ATOM 0 HA PHE A 9 43.479 21.339 20.128 1.00 0.25 H new ATOM 0 HB2 PHE A 9 43.268 21.038 22.723 1.00 0.23 H new ATOM 0 HB3 PHE A 9 42.851 22.740 22.756 1.00 0.23 H new ATOM 0 HD1 PHE A 9 40.797 23.565 21.668 1.00 0.20 H new ATOM 0 HD2 PHE A 9 41.794 19.389 21.668 1.00 0.19 H new ATOM 0 HE1 PHE A 9 38.480 23.012 20.989 1.00 0.21 H new ATOM 0 HE2 PHE A 9 39.476 18.837 20.982 1.00 0.19 H new ATOM 0 HZ PHE A 9 37.821 20.651 20.644 1.00 0.20 H new ATOM 126 N LEU A 10 43.890 24.503 20.995 1.00 0.21 N ATOM 127 CA LEU A 10 43.663 25.883 20.485 1.00 0.21 C ATOM 128 C LEU A 10 44.359 26.033 19.132 1.00 0.22 C ATOM 129 O LEU A 10 43.915 26.766 18.270 1.00 0.27 O ATOM 130 CB LEU A 10 44.242 26.900 21.470 1.00 0.24 C ATOM 131 CG LEU A 10 43.649 26.672 22.865 1.00 0.27 C ATOM 132 CD1 LEU A 10 44.385 27.554 23.874 1.00 0.31 C ATOM 133 CD2 LEU A 10 42.153 27.026 22.869 1.00 0.28 C ATOM 0 H LEU A 10 44.400 24.443 21.876 1.00 0.21 H new ATOM 0 HA LEU A 10 42.593 26.061 20.375 1.00 0.21 H new ATOM 0 HB2 LEU A 10 45.327 26.806 21.507 1.00 0.24 H new ATOM 0 HB3 LEU A 10 44.021 27.913 21.133 1.00 0.24 H new ATOM 0 HG LEU A 10 43.764 25.623 23.137 1.00 0.27 H new ATOM 0 HD11 LEU A 10 43.967 27.396 24.868 1.00 0.31 H new ATOM 0 HD12 LEU A 10 45.444 27.295 23.880 1.00 0.31 H new ATOM 0 HD13 LEU A 10 44.270 28.601 23.594 1.00 0.31 H new ATOM 0 HD21 LEU A 10 41.743 26.860 23.865 1.00 0.28 H new ATOM 0 HD22 LEU A 10 42.026 28.073 22.594 1.00 0.28 H new ATOM 0 HD23 LEU A 10 41.628 26.396 22.151 1.00 0.28 H new ATOM 145 N ASP A 11 45.448 25.338 18.937 1.00 0.21 N ATOM 146 CA ASP A 11 46.172 25.436 17.639 1.00 0.23 C ATOM 147 C ASP A 11 45.237 24.998 16.510 1.00 0.20 C ATOM 148 O ASP A 11 44.957 25.749 15.597 1.00 0.29 O ATOM 149 CB ASP A 11 47.409 24.530 17.669 1.00 0.27 C ATOM 150 CG ASP A 11 48.380 24.946 16.561 1.00 1.08 C ATOM 151 OD1 ASP A 11 47.975 24.934 15.410 1.00 1.64 O ATOM 152 OD2 ASP A 11 49.511 25.270 16.882 1.00 1.92 O ATOM 0 H ASP A 11 45.866 24.707 19.621 1.00 0.21 H new ATOM 0 HA ASP A 11 46.489 26.465 17.472 1.00 0.23 H new ATOM 0 HB2 ASP A 11 47.899 24.599 18.640 1.00 0.27 H new ATOM 0 HB3 ASP A 11 47.113 23.490 17.535 1.00 0.27 H new ATOM 157 N TYR A 12 44.744 23.790 16.566 1.00 0.14 N ATOM 158 CA TYR A 12 43.823 23.316 15.497 1.00 0.12 C ATOM 159 C TYR A 12 42.712 24.345 15.307 1.00 0.11 C ATOM 160 O TYR A 12 42.427 24.781 14.209 1.00 0.15 O ATOM 161 CB TYR A 12 43.209 21.968 15.902 1.00 0.12 C ATOM 162 CG TYR A 12 44.288 20.901 15.943 1.00 0.16 C ATOM 163 CD1 TYR A 12 44.992 20.568 14.778 1.00 0.22 C ATOM 164 CD2 TYR A 12 44.582 20.243 17.145 1.00 0.20 C ATOM 165 CE1 TYR A 12 45.985 19.582 14.815 1.00 0.28 C ATOM 166 CE2 TYR A 12 45.576 19.257 17.181 1.00 0.27 C ATOM 167 CZ TYR A 12 46.277 18.927 16.016 1.00 0.30 C ATOM 168 OH TYR A 12 47.257 17.956 16.052 1.00 0.37 O ATOM 0 H TYR A 12 44.939 23.114 17.304 1.00 0.14 H new ATOM 0 HA TYR A 12 44.376 23.191 14.566 1.00 0.12 H new ATOM 0 HB2 TYR A 12 42.733 22.054 16.879 1.00 0.12 H new ATOM 0 HB3 TYR A 12 42.432 21.685 15.192 1.00 0.12 H new ATOM 0 HD1 TYR A 12 44.768 21.073 13.850 1.00 0.22 H new ATOM 0 HD2 TYR A 12 44.041 20.497 18.045 1.00 0.20 H new ATOM 0 HE1 TYR A 12 46.526 19.327 13.916 1.00 0.28 H new ATOM 0 HE2 TYR A 12 45.801 18.751 18.108 1.00 0.27 H new ATOM 0 HH TYR A 12 47.334 17.603 16.963 1.00 0.37 H new ATOM 178 N CYS A 13 42.089 24.740 16.378 1.00 0.12 N ATOM 179 CA CYS A 13 41.000 25.746 16.291 1.00 0.15 C ATOM 180 C CYS A 13 41.474 26.936 15.458 1.00 0.16 C ATOM 181 O CYS A 13 40.787 27.399 14.570 1.00 0.19 O ATOM 182 CB CYS A 13 40.642 26.217 17.700 1.00 0.19 C ATOM 183 SG CYS A 13 39.806 24.880 18.589 1.00 1.38 S ATOM 0 H CYS A 13 42.290 24.405 17.320 1.00 0.12 H new ATOM 0 HA CYS A 13 40.123 25.302 15.819 1.00 0.15 H new ATOM 0 HB2 CYS A 13 41.543 26.516 18.235 1.00 0.19 H new ATOM 0 HB3 CYS A 13 39.996 27.094 17.649 1.00 0.19 H new ATOM 0 HG CYS A 13 38.673 24.615 18.009 1.00 1.38 H new ATOM 189 N GLN A 14 42.646 27.432 15.737 1.00 0.17 N ATOM 190 CA GLN A 14 43.169 28.589 14.963 1.00 0.21 C ATOM 191 C GLN A 14 43.009 28.315 13.465 1.00 0.21 C ATOM 192 O GLN A 14 42.396 29.080 12.750 1.00 0.28 O ATOM 193 CB GLN A 14 44.649 28.795 15.292 1.00 0.25 C ATOM 194 CG GLN A 14 45.132 30.107 14.674 1.00 0.64 C ATOM 195 CD GLN A 14 46.526 30.443 15.210 1.00 0.78 C ATOM 196 OE1 GLN A 14 46.661 31.189 16.159 1.00 1.68 O ATOM 197 NE2 GLN A 14 47.575 29.921 14.637 1.00 1.31 N ATOM 0 H GLN A 14 43.265 27.085 16.469 1.00 0.17 H new ATOM 0 HA GLN A 14 42.611 29.487 15.228 1.00 0.21 H new ATOM 0 HB2 GLN A 14 44.793 28.815 16.372 1.00 0.25 H new ATOM 0 HB3 GLN A 14 45.237 27.962 14.908 1.00 0.25 H new ATOM 0 HG2 GLN A 14 45.160 30.021 13.588 1.00 0.64 H new ATOM 0 HG3 GLN A 14 44.436 30.911 14.912 1.00 0.64 H new ATOM 0 HE21 GLN A 14 47.462 29.294 13.840 1.00 1.31 H new ATOM 0 HE22 GLN A 14 48.508 30.139 14.986 1.00 1.31 H new ATOM 206 N LYS A 15 43.550 27.227 12.984 1.00 0.20 N ATOM 207 CA LYS A 15 43.420 26.913 11.532 1.00 0.22 C ATOM 208 C LYS A 15 41.943 26.960 11.134 1.00 0.19 C ATOM 209 O LYS A 15 41.548 27.709 10.263 1.00 0.22 O ATOM 210 CB LYS A 15 43.981 25.517 11.259 1.00 0.25 C ATOM 211 CG LYS A 15 45.476 25.499 11.587 1.00 0.57 C ATOM 212 CD LYS A 15 45.976 24.052 11.640 1.00 1.16 C ATOM 213 CE LYS A 15 45.895 23.424 10.246 1.00 1.52 C ATOM 214 NZ LYS A 15 46.725 22.187 10.212 1.00 2.24 N ATOM 0 H LYS A 15 44.074 26.545 13.532 1.00 0.20 H new ATOM 0 HA LYS A 15 43.977 27.646 10.948 1.00 0.22 H new ATOM 0 HB2 LYS A 15 43.456 24.777 11.863 1.00 0.25 H new ATOM 0 HB3 LYS A 15 43.823 25.247 10.215 1.00 0.25 H new ATOM 0 HG2 LYS A 15 46.030 26.058 10.833 1.00 0.57 H new ATOM 0 HG3 LYS A 15 45.654 25.991 12.543 1.00 0.57 H new ATOM 0 HD2 LYS A 15 47.004 24.026 12.002 1.00 1.16 H new ATOM 0 HD3 LYS A 15 45.376 23.476 12.344 1.00 1.16 H new ATOM 0 HE2 LYS A 15 44.860 23.187 10.001 1.00 1.52 H new ATOM 0 HE3 LYS A 15 46.246 24.132 9.495 1.00 1.52 H new ATOM 0 HZ1 LYS A 15 46.671 21.759 9.266 1.00 2.24 H new ATOM 0 HZ2 LYS A 15 47.714 22.426 10.428 1.00 2.24 H new ATOM 0 HZ3 LYS A 15 46.370 21.511 10.918 1.00 2.24 H new ATOM 228 N LEU A 16 41.126 26.166 11.770 1.00 0.15 N ATOM 229 CA LEU A 16 39.671 26.158 11.443 1.00 0.13 C ATOM 230 C LEU A 16 39.162 27.601 11.344 1.00 0.13 C ATOM 231 O LEU A 16 38.189 27.887 10.675 1.00 0.17 O ATOM 232 CB LEU A 16 38.925 25.414 12.573 1.00 0.11 C ATOM 233 CG LEU A 16 37.817 24.525 11.995 1.00 0.14 C ATOM 234 CD1 LEU A 16 38.434 23.338 11.215 1.00 0.26 C ATOM 235 CD2 LEU A 16 36.943 24.021 13.153 1.00 0.17 C ATOM 0 H LEU A 16 41.405 25.518 12.507 1.00 0.15 H new ATOM 0 HA LEU A 16 39.498 25.658 10.490 1.00 0.13 H new ATOM 0 HB2 LEU A 16 39.628 24.805 13.141 1.00 0.11 H new ATOM 0 HB3 LEU A 16 38.495 26.135 13.268 1.00 0.11 H new ATOM 0 HG LEU A 16 37.204 25.097 11.298 1.00 0.14 H new ATOM 0 HD11 LEU A 16 37.637 22.715 10.810 1.00 0.26 H new ATOM 0 HD12 LEU A 16 39.047 23.719 10.398 1.00 0.26 H new ATOM 0 HD13 LEU A 16 39.053 22.744 11.887 1.00 0.26 H new ATOM 0 HD21 LEU A 16 36.149 23.386 12.760 1.00 0.17 H new ATOM 0 HD22 LEU A 16 37.556 23.447 13.848 1.00 0.17 H new ATOM 0 HD23 LEU A 16 36.503 24.872 13.674 1.00 0.17 H new ATOM 247 N LEU A 17 39.808 28.502 12.024 1.00 0.12 N ATOM 248 CA LEU A 17 39.368 29.922 12.000 1.00 0.13 C ATOM 249 C LEU A 17 39.894 30.620 10.741 1.00 0.15 C ATOM 250 O LEU A 17 39.135 31.133 9.943 1.00 0.22 O ATOM 251 CB LEU A 17 39.913 30.620 13.255 1.00 0.12 C ATOM 252 CG LEU A 17 39.084 31.883 13.571 1.00 0.12 C ATOM 253 CD1 LEU A 17 37.836 31.504 14.384 1.00 0.12 C ATOM 254 CD2 LEU A 17 39.922 32.870 14.396 1.00 0.13 C ATOM 0 H LEU A 17 40.629 28.315 12.600 1.00 0.12 H new ATOM 0 HA LEU A 17 38.279 29.972 11.987 1.00 0.13 H new ATOM 0 HB2 LEU A 17 39.882 29.935 14.102 1.00 0.12 H new ATOM 0 HB3 LEU A 17 40.958 30.891 13.103 1.00 0.12 H new ATOM 0 HG LEU A 17 38.788 32.344 12.629 1.00 0.12 H new ATOM 0 HD11 LEU A 17 37.257 32.402 14.602 1.00 0.12 H new ATOM 0 HD12 LEU A 17 37.224 30.809 13.809 1.00 0.12 H new ATOM 0 HD13 LEU A 17 38.140 31.032 15.318 1.00 0.12 H new ATOM 0 HD21 LEU A 17 39.328 33.758 14.614 1.00 0.13 H new ATOM 0 HD22 LEU A 17 40.225 32.398 15.330 1.00 0.13 H new ATOM 0 HD23 LEU A 17 40.809 33.156 13.830 1.00 0.13 H new ATOM 266 N GLU A 18 41.184 30.653 10.562 1.00 0.20 N ATOM 267 CA GLU A 18 41.751 31.330 9.358 1.00 0.25 C ATOM 268 C GLU A 18 41.214 30.651 8.096 1.00 0.21 C ATOM 269 O GLU A 18 40.799 31.300 7.156 1.00 0.25 O ATOM 270 CB GLU A 18 43.298 31.254 9.381 1.00 0.32 C ATOM 271 CG GLU A 18 43.794 31.022 10.815 1.00 1.41 C ATOM 272 CD GLU A 18 45.252 31.474 10.942 1.00 2.13 C ATOM 273 OE1 GLU A 18 46.114 30.773 10.439 1.00 2.77 O ATOM 274 OE2 GLU A 18 45.480 32.512 11.540 1.00 2.62 O ATOM 0 H GLU A 18 41.871 30.242 11.194 1.00 0.20 H new ATOM 0 HA GLU A 18 41.454 32.379 9.362 1.00 0.25 H new ATOM 0 HB2 GLU A 18 43.640 30.446 8.735 1.00 0.32 H new ATOM 0 HB3 GLU A 18 43.721 32.178 8.987 1.00 0.32 H new ATOM 0 HG2 GLU A 18 43.171 31.574 11.518 1.00 1.41 H new ATOM 0 HG3 GLU A 18 43.708 29.966 11.073 1.00 1.41 H new ATOM 281 N LYS A 19 41.231 29.349 8.066 1.00 0.20 N ATOM 282 CA LYS A 19 40.734 28.629 6.859 1.00 0.20 C ATOM 283 C LYS A 19 39.346 29.151 6.484 1.00 0.18 C ATOM 284 O LYS A 19 39.108 29.546 5.360 1.00 0.24 O ATOM 285 CB LYS A 19 40.675 27.125 7.148 1.00 0.22 C ATOM 286 CG LYS A 19 40.661 26.344 5.831 1.00 0.30 C ATOM 287 CD LYS A 19 40.657 24.847 6.133 1.00 0.37 C ATOM 288 CE LYS A 19 40.893 24.059 4.843 1.00 0.92 C ATOM 289 NZ LYS A 19 40.075 24.646 3.744 1.00 1.77 N ATOM 0 H LYS A 19 41.566 28.752 8.822 1.00 0.20 H new ATOM 0 HA LYS A 19 41.413 28.803 6.024 1.00 0.20 H new ATOM 0 HB2 LYS A 19 41.534 26.827 7.749 1.00 0.22 H new ATOM 0 HB3 LYS A 19 39.783 26.892 7.729 1.00 0.22 H new ATOM 0 HG2 LYS A 19 39.781 26.611 5.246 1.00 0.30 H new ATOM 0 HG3 LYS A 19 41.534 26.604 5.231 1.00 0.30 H new ATOM 0 HD2 LYS A 19 41.433 24.611 6.861 1.00 0.37 H new ATOM 0 HD3 LYS A 19 39.704 24.559 6.577 1.00 0.37 H new ATOM 0 HE2 LYS A 19 41.950 24.084 4.577 1.00 0.92 H new ATOM 0 HE3 LYS A 19 40.626 23.012 4.990 1.00 0.92 H new ATOM 0 HZ1 LYS A 19 39.990 23.958 2.969 1.00 1.77 H new ATOM 0 HZ2 LYS A 19 39.128 24.882 4.104 1.00 1.77 H new ATOM 0 HZ3 LYS A 19 40.536 25.509 3.391 1.00 1.77 H new ATOM 303 N PHE A 20 38.432 29.180 7.415 1.00 0.16 N ATOM 304 CA PHE A 20 37.076 29.702 7.105 1.00 0.16 C ATOM 305 C PHE A 20 37.119 31.225 7.224 1.00 0.19 C ATOM 306 O PHE A 20 36.127 31.907 7.059 1.00 0.30 O ATOM 307 CB PHE A 20 36.073 29.124 8.101 1.00 0.14 C ATOM 308 CG PHE A 20 35.779 27.683 7.747 1.00 0.13 C ATOM 309 CD1 PHE A 20 36.710 26.692 8.077 1.00 0.13 C ATOM 310 CD2 PHE A 20 34.586 27.332 7.089 1.00 0.13 C ATOM 311 CE1 PHE A 20 36.458 25.355 7.756 1.00 0.12 C ATOM 312 CE2 PHE A 20 34.338 25.991 6.767 1.00 0.13 C ATOM 313 CZ PHE A 20 35.274 25.004 7.101 1.00 0.12 C ATOM 0 H PHE A 20 38.568 28.865 8.375 1.00 0.16 H new ATOM 0 HA PHE A 20 36.771 29.416 6.098 1.00 0.16 H new ATOM 0 HB2 PHE A 20 36.473 29.186 9.113 1.00 0.14 H new ATOM 0 HB3 PHE A 20 35.153 29.708 8.086 1.00 0.14 H new ATOM 0 HD1 PHE A 20 37.626 26.961 8.581 1.00 0.13 H new ATOM 0 HD2 PHE A 20 33.864 28.093 6.833 1.00 0.13 H new ATOM 0 HE1 PHE A 20 37.178 24.593 8.014 1.00 0.12 H new ATOM 0 HE2 PHE A 20 33.424 25.718 6.261 1.00 0.13 H new ATOM 0 HZ PHE A 20 35.081 23.971 6.852 1.00 0.12 H new ATOM 323 N ARG A 21 38.283 31.755 7.493 1.00 0.18 N ATOM 324 CA ARG A 21 38.439 33.236 7.610 1.00 0.21 C ATOM 325 C ARG A 21 37.447 33.822 8.626 1.00 0.18 C ATOM 326 O ARG A 21 36.890 34.879 8.407 1.00 0.19 O ATOM 327 CB ARG A 21 38.197 33.871 6.239 1.00 0.29 C ATOM 328 CG ARG A 21 38.870 33.021 5.159 1.00 0.65 C ATOM 329 CD ARG A 21 38.760 33.728 3.807 1.00 1.12 C ATOM 330 NE ARG A 21 39.677 34.901 3.783 1.00 1.93 N ATOM 331 CZ ARG A 21 39.979 35.467 2.647 1.00 2.67 C ATOM 332 NH1 ARG A 21 39.480 35.003 1.535 1.00 2.95 N ATOM 333 NH2 ARG A 21 40.781 36.496 2.623 1.00 3.64 N ATOM 0 H ARG A 21 39.140 31.221 7.638 1.00 0.18 H new ATOM 0 HA ARG A 21 39.449 33.453 7.958 1.00 0.21 H new ATOM 0 HB2 ARG A 21 37.127 33.946 6.044 1.00 0.29 H new ATOM 0 HB3 ARG A 21 38.596 34.885 6.220 1.00 0.29 H new ATOM 0 HG2 ARG A 21 39.918 32.858 5.411 1.00 0.65 H new ATOM 0 HG3 ARG A 21 38.398 32.040 5.107 1.00 0.65 H new ATOM 0 HD2 ARG A 21 39.014 33.038 3.002 1.00 1.12 H new ATOM 0 HD3 ARG A 21 37.733 34.052 3.637 1.00 1.12 H new ATOM 0 HE ARG A 21 40.068 35.261 4.653 1.00 1.93 H new ATOM 0 HH11 ARG A 21 38.854 34.198 1.554 1.00 2.95 H new ATOM 0 HH12 ARG A 21 39.716 35.445 0.647 1.00 2.95 H new ATOM 0 HH21 ARG A 21 41.172 36.858 3.493 1.00 3.64 H new ATOM 0 HH22 ARG A 21 41.017 36.938 1.735 1.00 3.64 H new ATOM 347 N TYR A 22 37.223 33.165 9.737 1.00 0.15 N ATOM 348 CA TYR A 22 36.268 33.722 10.747 1.00 0.13 C ATOM 349 C TYR A 22 37.026 34.710 11.674 1.00 0.14 C ATOM 350 O TYR A 22 38.208 34.536 11.893 1.00 0.15 O ATOM 351 CB TYR A 22 35.709 32.577 11.610 1.00 0.11 C ATOM 352 CG TYR A 22 34.543 31.878 10.924 1.00 0.11 C ATOM 353 CD1 TYR A 22 33.402 32.597 10.522 1.00 0.12 C ATOM 354 CD2 TYR A 22 34.600 30.494 10.702 1.00 0.11 C ATOM 355 CE1 TYR A 22 32.336 31.932 9.905 1.00 0.13 C ATOM 356 CE2 TYR A 22 33.533 29.835 10.084 1.00 0.12 C ATOM 357 CZ TYR A 22 32.403 30.554 9.686 1.00 0.13 C ATOM 358 OH TYR A 22 31.350 29.903 9.081 1.00 0.15 O ATOM 0 H TYR A 22 37.655 32.276 9.988 1.00 0.15 H new ATOM 0 HA TYR A 22 35.455 34.233 10.232 1.00 0.13 H new ATOM 0 HB2 TYR A 22 36.499 31.854 11.813 1.00 0.11 H new ATOM 0 HB3 TYR A 22 35.383 32.971 12.572 1.00 0.11 H new ATOM 0 HD1 TYR A 22 33.349 33.663 10.690 1.00 0.12 H new ATOM 0 HD2 TYR A 22 35.472 29.935 11.010 1.00 0.11 H new ATOM 0 HE1 TYR A 22 31.461 32.485 9.598 1.00 0.13 H new ATOM 0 HE2 TYR A 22 33.582 28.770 9.914 1.00 0.12 H new ATOM 0 HH TYR A 22 30.613 29.810 9.720 1.00 0.15 H new ATOM 368 N PRO A 23 36.333 35.701 12.222 1.00 0.14 N ATOM 369 CA PRO A 23 36.965 36.668 13.146 1.00 0.16 C ATOM 370 C PRO A 23 37.486 35.938 14.398 1.00 0.16 C ATOM 371 O PRO A 23 37.306 34.749 14.560 1.00 0.15 O ATOM 372 CB PRO A 23 35.844 37.668 13.513 1.00 0.17 C ATOM 373 CG PRO A 23 34.528 37.139 12.882 1.00 0.15 C ATOM 374 CD PRO A 23 34.898 35.950 11.968 1.00 0.14 C ATOM 0 HA PRO A 23 37.821 37.174 12.699 1.00 0.16 H new ATOM 0 HB2 PRO A 23 35.744 37.753 14.595 1.00 0.17 H new ATOM 0 HB3 PRO A 23 36.078 38.663 13.135 1.00 0.17 H new ATOM 0 HG2 PRO A 23 33.830 36.824 13.658 1.00 0.15 H new ATOM 0 HG3 PRO A 23 34.035 37.924 12.309 1.00 0.15 H new ATOM 0 HD2 PRO A 23 34.298 35.071 12.202 1.00 0.14 H new ATOM 0 HD3 PRO A 23 34.719 36.188 10.920 1.00 0.14 H new ATOM 382 N TRP A 24 38.138 36.657 15.270 1.00 0.18 N ATOM 383 CA TRP A 24 38.701 36.043 16.514 1.00 0.19 C ATOM 384 C TRP A 24 37.608 35.826 17.573 1.00 0.19 C ATOM 385 O TRP A 24 37.820 35.141 18.553 1.00 0.21 O ATOM 386 CB TRP A 24 39.775 36.982 17.074 1.00 0.21 C ATOM 387 CG TRP A 24 40.272 36.472 18.389 1.00 0.28 C ATOM 388 CD1 TRP A 24 39.825 36.882 19.598 1.00 0.34 C ATOM 389 CD2 TRP A 24 41.304 35.476 18.651 1.00 0.33 C ATOM 390 NE1 TRP A 24 40.516 36.203 20.585 1.00 0.42 N ATOM 391 CE2 TRP A 24 41.438 35.325 20.052 1.00 0.42 C ATOM 392 CE3 TRP A 24 42.129 34.698 17.818 1.00 0.35 C ATOM 393 CZ2 TRP A 24 42.357 34.434 20.607 1.00 0.50 C ATOM 394 CZ3 TRP A 24 43.055 33.799 18.374 1.00 0.45 C ATOM 395 CH2 TRP A 24 43.169 33.669 19.766 1.00 0.52 C ATOM 0 H TRP A 24 38.309 37.658 15.175 1.00 0.18 H new ATOM 0 HA TRP A 24 39.127 35.070 16.268 1.00 0.19 H new ATOM 0 HB2 TRP A 24 40.603 37.060 16.370 1.00 0.21 H new ATOM 0 HB3 TRP A 24 39.364 37.984 17.196 1.00 0.21 H new ATOM 0 HD1 TRP A 24 39.054 37.620 19.765 1.00 0.34 H new ATOM 0 HE1 TRP A 24 40.363 36.335 21.585 1.00 0.42 H new ATOM 0 HE3 TRP A 24 42.050 34.792 16.745 1.00 0.35 H new ATOM 0 HZ2 TRP A 24 42.440 34.336 21.679 1.00 0.50 H new ATOM 0 HZ3 TRP A 24 43.682 33.205 17.726 1.00 0.45 H new ATOM 0 HH2 TRP A 24 43.884 32.978 20.187 1.00 0.52 H new ATOM 406 N GLU A 25 36.458 36.417 17.407 1.00 0.18 N ATOM 407 CA GLU A 25 35.383 36.252 18.435 1.00 0.21 C ATOM 408 C GLU A 25 34.666 34.902 18.277 1.00 0.17 C ATOM 409 O GLU A 25 33.924 34.491 19.147 1.00 0.20 O ATOM 410 CB GLU A 25 34.362 37.397 18.294 1.00 0.29 C ATOM 411 CG GLU A 25 35.061 38.656 17.778 1.00 1.15 C ATOM 412 CD GLU A 25 36.310 38.942 18.617 1.00 1.55 C ATOM 413 OE1 GLU A 25 36.218 38.851 19.830 1.00 2.18 O ATOM 414 OE2 GLU A 25 37.336 39.247 18.032 1.00 1.97 O ATOM 0 H GLU A 25 36.213 37.005 16.610 1.00 0.18 H new ATOM 0 HA GLU A 25 35.844 36.280 19.423 1.00 0.21 H new ATOM 0 HB2 GLU A 25 33.567 37.105 17.608 1.00 0.29 H new ATOM 0 HB3 GLU A 25 33.894 37.599 19.257 1.00 0.29 H new ATOM 0 HG2 GLU A 25 35.338 38.526 16.732 1.00 1.15 H new ATOM 0 HG3 GLU A 25 34.379 39.505 17.824 1.00 1.15 H new ATOM 421 N LEU A 26 34.853 34.218 17.176 1.00 0.13 N ATOM 422 CA LEU A 26 34.147 32.909 16.977 1.00 0.11 C ATOM 423 C LEU A 26 35.050 31.739 17.361 1.00 0.10 C ATOM 424 O LEU A 26 34.917 30.651 16.837 1.00 0.11 O ATOM 425 CB LEU A 26 33.744 32.763 15.511 1.00 0.10 C ATOM 426 CG LEU A 26 33.103 34.058 15.009 1.00 0.10 C ATOM 427 CD1 LEU A 26 32.465 33.800 13.646 1.00 0.11 C ATOM 428 CD2 LEU A 26 32.023 34.529 15.994 1.00 0.12 C ATOM 0 H LEU A 26 35.460 34.505 16.408 1.00 0.13 H new ATOM 0 HA LEU A 26 33.263 32.897 17.615 1.00 0.11 H new ATOM 0 HB2 LEU A 26 34.620 32.524 14.907 1.00 0.10 H new ATOM 0 HB3 LEU A 26 33.044 31.935 15.399 1.00 0.10 H new ATOM 0 HG LEU A 26 33.868 34.830 14.925 1.00 0.10 H new ATOM 0 HD11 LEU A 26 32.005 34.718 13.280 1.00 0.11 H new ATOM 0 HD12 LEU A 26 33.230 33.472 12.942 1.00 0.11 H new ATOM 0 HD13 LEU A 26 31.704 33.026 13.741 1.00 0.11 H new ATOM 0 HD21 LEU A 26 31.573 35.452 15.627 1.00 0.12 H new ATOM 0 HD22 LEU A 26 31.254 33.762 16.085 1.00 0.12 H new ATOM 0 HD23 LEU A 26 32.474 34.709 16.970 1.00 0.12 H new ATOM 440 N MET A 27 35.962 31.934 18.270 1.00 0.12 N ATOM 441 CA MET A 27 36.842 30.807 18.664 1.00 0.13 C ATOM 442 C MET A 27 36.057 29.758 19.497 1.00 0.11 C ATOM 443 O MET A 27 36.300 28.578 19.336 1.00 0.13 O ATOM 444 CB MET A 27 38.055 31.337 19.459 1.00 0.18 C ATOM 445 CG MET A 27 39.180 31.749 18.501 1.00 0.19 C ATOM 446 SD MET A 27 40.645 32.195 19.460 1.00 1.17 S ATOM 447 CE MET A 27 41.325 30.527 19.639 1.00 0.31 C ATOM 0 H MET A 27 36.134 32.817 18.752 1.00 0.12 H new ATOM 0 HA MET A 27 37.202 30.315 17.760 1.00 0.13 H new ATOM 0 HB2 MET A 27 37.755 32.190 20.067 1.00 0.18 H new ATOM 0 HB3 MET A 27 38.414 30.568 20.143 1.00 0.18 H new ATOM 0 HG2 MET A 27 39.412 30.930 17.820 1.00 0.19 H new ATOM 0 HG3 MET A 27 38.861 32.592 17.888 1.00 0.19 H new ATOM 0 HE1 MET A 27 42.303 30.582 20.118 1.00 0.31 H new ATOM 0 HE2 MET A 27 40.654 29.924 20.252 1.00 0.31 H new ATOM 0 HE3 MET A 27 41.428 30.069 18.655 1.00 0.31 H new ATOM 457 N PRO A 28 35.143 30.179 20.367 1.00 0.10 N ATOM 458 CA PRO A 28 34.372 29.218 21.189 1.00 0.09 C ATOM 459 C PRO A 28 33.608 28.222 20.304 1.00 0.10 C ATOM 460 O PRO A 28 33.287 27.132 20.727 1.00 0.19 O ATOM 461 CB PRO A 28 33.413 30.094 22.025 1.00 0.09 C ATOM 462 CG PRO A 28 33.907 31.555 21.878 1.00 0.11 C ATOM 463 CD PRO A 28 34.798 31.598 20.624 1.00 0.11 C ATOM 0 HA PRO A 28 35.015 28.608 21.823 1.00 0.09 H new ATOM 0 HB2 PRO A 28 32.388 29.994 21.669 1.00 0.09 H new ATOM 0 HB3 PRO A 28 33.419 29.786 23.071 1.00 0.09 H new ATOM 0 HG2 PRO A 28 33.065 32.240 21.778 1.00 0.11 H new ATOM 0 HG3 PRO A 28 34.466 31.865 22.761 1.00 0.11 H new ATOM 0 HD2 PRO A 28 34.271 32.038 19.777 1.00 0.11 H new ATOM 0 HD3 PRO A 28 35.691 32.200 20.792 1.00 0.11 H new ATOM 471 N LEU A 29 33.320 28.572 19.080 1.00 0.11 N ATOM 472 CA LEU A 29 32.594 27.615 18.194 1.00 0.09 C ATOM 473 C LEU A 29 33.622 26.694 17.547 1.00 0.10 C ATOM 474 O LEU A 29 33.483 25.487 17.561 1.00 0.19 O ATOM 475 CB LEU A 29 31.810 28.378 17.123 1.00 0.08 C ATOM 476 CG LEU A 29 30.903 29.420 17.792 1.00 0.08 C ATOM 477 CD1 LEU A 29 30.311 30.339 16.722 1.00 0.09 C ATOM 478 CD2 LEU A 29 29.761 28.716 18.541 1.00 0.08 C ATOM 0 H LEU A 29 33.553 29.470 18.657 1.00 0.11 H new ATOM 0 HA LEU A 29 31.883 27.028 18.775 1.00 0.09 H new ATOM 0 HB2 LEU A 29 32.498 28.869 16.435 1.00 0.08 H new ATOM 0 HB3 LEU A 29 31.210 27.684 16.534 1.00 0.08 H new ATOM 0 HG LEU A 29 31.491 30.005 18.499 1.00 0.08 H new ATOM 0 HD11 LEU A 29 29.666 31.080 17.195 1.00 0.09 H new ATOM 0 HD12 LEU A 29 31.117 30.845 16.191 1.00 0.09 H new ATOM 0 HD13 LEU A 29 29.727 29.747 16.017 1.00 0.09 H new ATOM 0 HD21 LEU A 29 29.121 29.462 19.013 1.00 0.08 H new ATOM 0 HD22 LEU A 29 29.173 28.127 17.837 1.00 0.08 H new ATOM 0 HD23 LEU A 29 30.177 28.059 19.305 1.00 0.08 H new ATOM 490 N MET A 30 34.675 27.245 17.015 1.00 0.10 N ATOM 491 CA MET A 30 35.724 26.384 16.414 1.00 0.12 C ATOM 492 C MET A 30 36.218 25.440 17.507 1.00 0.10 C ATOM 493 O MET A 30 36.823 24.418 17.248 1.00 0.11 O ATOM 494 CB MET A 30 36.883 27.255 15.924 1.00 0.16 C ATOM 495 CG MET A 30 36.510 27.905 14.592 1.00 0.19 C ATOM 496 SD MET A 30 34.974 28.848 14.792 1.00 1.16 S ATOM 497 CE MET A 30 34.133 28.283 13.290 1.00 0.20 C ATOM 0 H MET A 30 34.853 28.248 16.971 1.00 0.10 H new ATOM 0 HA MET A 30 35.328 25.823 15.567 1.00 0.12 H new ATOM 0 HB2 MET A 30 37.112 28.023 16.663 1.00 0.16 H new ATOM 0 HB3 MET A 30 37.781 26.649 15.805 1.00 0.16 H new ATOM 0 HG2 MET A 30 37.313 28.563 14.258 1.00 0.19 H new ATOM 0 HG3 MET A 30 36.384 27.141 13.825 1.00 0.19 H new ATOM 0 HE1 MET A 30 33.441 29.053 12.949 1.00 0.20 H new ATOM 0 HE2 MET A 30 34.871 28.088 12.512 1.00 0.20 H new ATOM 0 HE3 MET A 30 33.581 27.368 13.504 1.00 0.20 H new ATOM 507 N TYR A 31 35.950 25.790 18.735 1.00 0.09 N ATOM 508 CA TYR A 31 36.378 24.945 19.882 1.00 0.09 C ATOM 509 C TYR A 31 35.420 23.760 20.020 1.00 0.09 C ATOM 510 O TYR A 31 35.824 22.615 20.014 1.00 0.10 O ATOM 511 CB TYR A 31 36.340 25.795 21.159 1.00 0.09 C ATOM 512 CG TYR A 31 36.495 24.923 22.383 1.00 0.10 C ATOM 513 CD1 TYR A 31 37.769 24.645 22.888 1.00 0.11 C ATOM 514 CD2 TYR A 31 35.361 24.403 23.017 1.00 0.10 C ATOM 515 CE1 TYR A 31 37.910 23.842 24.026 1.00 0.12 C ATOM 516 CE2 TYR A 31 35.500 23.602 24.156 1.00 0.11 C ATOM 517 CZ TYR A 31 36.776 23.321 24.660 1.00 0.12 C ATOM 518 OH TYR A 31 36.914 22.533 25.785 1.00 0.14 O ATOM 0 H TYR A 31 35.445 26.638 18.994 1.00 0.09 H new ATOM 0 HA TYR A 31 37.389 24.571 19.719 1.00 0.09 H new ATOM 0 HB2 TYR A 31 37.137 26.538 21.132 1.00 0.09 H new ATOM 0 HB3 TYR A 31 35.398 26.340 21.211 1.00 0.09 H new ATOM 0 HD1 TYR A 31 38.644 25.050 22.400 1.00 0.11 H new ATOM 0 HD2 TYR A 31 34.378 24.620 22.627 1.00 0.10 H new ATOM 0 HE1 TYR A 31 38.894 23.624 24.415 1.00 0.12 H new ATOM 0 HE2 TYR A 31 34.625 23.201 24.646 1.00 0.11 H new ATOM 0 HH TYR A 31 36.048 22.453 26.237 1.00 0.14 H new ATOM 528 N VAL A 32 34.151 24.032 20.149 1.00 0.09 N ATOM 529 CA VAL A 32 33.162 22.930 20.294 1.00 0.09 C ATOM 530 C VAL A 32 33.223 22.016 19.070 1.00 0.09 C ATOM 531 O VAL A 32 33.385 20.818 19.191 1.00 0.12 O ATOM 532 CB VAL A 32 31.756 23.522 20.419 1.00 0.09 C ATOM 533 CG1 VAL A 32 30.724 22.390 20.426 1.00 0.09 C ATOM 534 CG2 VAL A 32 31.650 24.328 21.720 1.00 0.12 C ATOM 0 H VAL A 32 33.756 24.973 20.160 1.00 0.09 H new ATOM 0 HA VAL A 32 33.396 22.351 21.187 1.00 0.09 H new ATOM 0 HB VAL A 32 31.563 24.181 19.573 1.00 0.09 H new ATOM 0 HG11 VAL A 32 29.723 22.811 20.515 1.00 0.09 H new ATOM 0 HG12 VAL A 32 30.798 21.824 19.497 1.00 0.09 H new ATOM 0 HG13 VAL A 32 30.916 21.728 21.271 1.00 0.09 H new ATOM 0 HG21 VAL A 32 30.648 24.749 21.807 1.00 0.12 H new ATOM 0 HG22 VAL A 32 31.844 23.674 22.570 1.00 0.12 H new ATOM 0 HG23 VAL A 32 32.383 25.135 21.709 1.00 0.12 H new ATOM 544 N ILE A 33 33.090 22.569 17.892 1.00 0.09 N ATOM 545 CA ILE A 33 33.138 21.734 16.658 1.00 0.09 C ATOM 546 C ILE A 33 34.299 20.732 16.762 1.00 0.10 C ATOM 547 O ILE A 33 34.087 19.538 16.837 1.00 0.11 O ATOM 548 CB ILE A 33 33.304 22.667 15.454 1.00 0.09 C ATOM 549 CG1 ILE A 33 32.072 23.579 15.389 1.00 0.10 C ATOM 550 CG2 ILE A 33 33.413 21.860 14.158 1.00 0.10 C ATOM 551 CD1 ILE A 33 32.185 24.537 14.206 1.00 0.09 C ATOM 0 H ILE A 33 32.950 23.567 17.733 1.00 0.09 H new ATOM 0 HA ILE A 33 32.218 21.162 16.537 1.00 0.09 H new ATOM 0 HB ILE A 33 34.215 23.255 15.566 1.00 0.09 H new ATOM 0 HG12 ILE A 33 31.169 22.976 15.293 1.00 0.10 H new ATOM 0 HG13 ILE A 33 31.980 24.144 16.316 1.00 0.10 H new ATOM 0 HG21 ILE A 33 33.530 22.540 13.315 1.00 0.10 H new ATOM 0 HG22 ILE A 33 34.277 21.198 14.213 1.00 0.10 H new ATOM 0 HG23 ILE A 33 32.509 21.266 14.022 1.00 0.10 H new ATOM 0 HD11 ILE A 33 31.304 25.178 14.172 1.00 0.09 H new ATOM 0 HD12 ILE A 33 33.078 25.152 14.320 1.00 0.09 H new ATOM 0 HD13 ILE A 33 32.254 23.966 13.280 1.00 0.09 H new ATOM 563 N LEU A 34 35.517 21.200 16.797 1.00 0.10 N ATOM 564 CA LEU A 34 36.671 20.264 16.930 1.00 0.11 C ATOM 565 C LEU A 34 36.406 19.329 18.122 1.00 0.13 C ATOM 566 O LEU A 34 36.527 18.126 18.017 1.00 0.20 O ATOM 567 CB LEU A 34 37.953 21.109 17.180 1.00 0.09 C ATOM 568 CG LEU A 34 38.894 21.235 15.930 1.00 0.09 C ATOM 569 CD1 LEU A 34 38.152 21.077 14.590 1.00 0.10 C ATOM 570 CD2 LEU A 34 39.570 22.612 15.961 1.00 0.10 C ATOM 0 H LEU A 34 35.763 22.188 16.739 1.00 0.10 H new ATOM 0 HA LEU A 34 36.801 19.665 16.029 1.00 0.11 H new ATOM 0 HB2 LEU A 34 37.659 22.108 17.502 1.00 0.09 H new ATOM 0 HB3 LEU A 34 38.515 20.662 18.000 1.00 0.09 H new ATOM 0 HG LEU A 34 39.621 20.425 15.991 1.00 0.09 H new ATOM 0 HD11 LEU A 34 38.861 21.175 13.768 1.00 0.10 H new ATOM 0 HD12 LEU A 34 37.681 20.095 14.548 1.00 0.10 H new ATOM 0 HD13 LEU A 34 37.388 21.849 14.504 1.00 0.10 H new ATOM 0 HD21 LEU A 34 40.228 22.714 15.098 1.00 0.10 H new ATOM 0 HD22 LEU A 34 38.809 23.392 15.932 1.00 0.10 H new ATOM 0 HD23 LEU A 34 40.155 22.710 16.876 1.00 0.10 H new ATOM 582 N LYS A 35 36.050 19.874 19.249 1.00 0.12 N ATOM 583 CA LYS A 35 35.787 19.018 20.441 1.00 0.15 C ATOM 584 C LYS A 35 34.856 17.864 20.057 1.00 0.21 C ATOM 585 O LYS A 35 34.987 16.760 20.549 1.00 0.29 O ATOM 586 CB LYS A 35 35.133 19.868 21.537 1.00 0.13 C ATOM 587 CG LYS A 35 35.281 19.172 22.892 1.00 0.17 C ATOM 588 CD LYS A 35 34.534 19.974 23.960 1.00 0.26 C ATOM 589 CE LYS A 35 34.501 19.180 25.266 1.00 0.80 C ATOM 590 NZ LYS A 35 34.091 20.079 26.381 1.00 1.49 N ATOM 0 H LYS A 35 35.929 20.876 19.399 1.00 0.12 H new ATOM 0 HA LYS A 35 36.727 18.607 20.809 1.00 0.15 H new ATOM 0 HB2 LYS A 35 35.598 20.853 21.572 1.00 0.13 H new ATOM 0 HB3 LYS A 35 34.078 20.021 21.310 1.00 0.13 H new ATOM 0 HG2 LYS A 35 34.883 18.159 22.838 1.00 0.17 H new ATOM 0 HG3 LYS A 35 36.335 19.087 23.156 1.00 0.17 H new ATOM 0 HD2 LYS A 35 35.025 20.934 24.118 1.00 0.26 H new ATOM 0 HD3 LYS A 35 33.519 20.187 23.626 1.00 0.26 H new ATOM 0 HE2 LYS A 35 33.803 18.347 25.181 1.00 0.80 H new ATOM 0 HE3 LYS A 35 35.483 18.754 25.470 1.00 0.80 H new ATOM 0 HZ1 LYS A 35 34.068 19.541 27.270 1.00 1.49 H new ATOM 0 HZ2 LYS A 35 34.773 20.860 26.466 1.00 1.49 H new ATOM 0 HZ3 LYS A 35 33.145 20.465 26.186 1.00 1.49 H new ATOM 604 N ASP A 36 33.914 18.109 19.189 1.00 0.24 N ATOM 605 CA ASP A 36 32.970 17.029 18.781 1.00 0.32 C ATOM 606 C ASP A 36 33.559 16.229 17.617 1.00 0.26 C ATOM 607 O ASP A 36 33.442 15.021 17.558 1.00 0.36 O ATOM 608 CB ASP A 36 31.648 17.657 18.346 1.00 0.42 C ATOM 609 CG ASP A 36 30.985 18.334 19.546 1.00 0.84 C ATOM 610 OD1 ASP A 36 31.291 19.488 19.794 1.00 1.56 O ATOM 611 OD2 ASP A 36 30.184 17.686 20.199 1.00 1.42 O ATOM 0 H ASP A 36 33.756 19.013 18.743 1.00 0.24 H new ATOM 0 HA ASP A 36 32.804 16.359 19.625 1.00 0.32 H new ATOM 0 HB2 ASP A 36 31.823 18.386 17.555 1.00 0.42 H new ATOM 0 HB3 ASP A 36 30.988 16.893 17.936 1.00 0.42 H new ATOM 616 N ALA A 37 34.179 16.895 16.684 1.00 0.18 N ATOM 617 CA ALA A 37 34.763 16.184 15.514 1.00 0.17 C ATOM 618 C ALA A 37 36.078 15.513 15.927 1.00 0.16 C ATOM 619 O ALA A 37 37.017 15.432 15.160 1.00 0.21 O ATOM 620 CB ALA A 37 35.005 17.221 14.400 1.00 0.19 C ATOM 0 H ALA A 37 34.307 17.907 16.682 1.00 0.18 H new ATOM 0 HA ALA A 37 34.087 15.409 15.153 1.00 0.17 H new ATOM 0 HB1 ALA A 37 35.434 16.726 13.529 1.00 0.19 H new ATOM 0 HB2 ALA A 37 34.059 17.686 14.124 1.00 0.19 H new ATOM 0 HB3 ALA A 37 35.694 17.986 14.758 1.00 0.19 H new ATOM 626 N ASP A 38 36.163 15.034 17.132 1.00 0.18 N ATOM 627 CA ASP A 38 37.428 14.388 17.562 1.00 0.20 C ATOM 628 C ASP A 38 38.564 15.383 17.327 1.00 0.18 C ATOM 629 O ASP A 38 39.727 15.034 17.271 1.00 0.22 O ATOM 630 CB ASP A 38 37.653 13.114 16.730 1.00 0.25 C ATOM 631 CG ASP A 38 38.519 12.122 17.513 1.00 1.00 C ATOM 632 OD1 ASP A 38 38.136 11.775 18.618 1.00 1.82 O ATOM 633 OD2 ASP A 38 39.549 11.726 16.992 1.00 1.65 O ATOM 0 H ASP A 38 35.421 15.061 17.831 1.00 0.18 H new ATOM 0 HA ASP A 38 37.388 14.112 18.616 1.00 0.20 H new ATOM 0 HB2 ASP A 38 36.695 12.657 16.484 1.00 0.25 H new ATOM 0 HB3 ASP A 38 38.138 13.367 15.787 1.00 0.25 H new ATOM 638 N ALA A 39 38.207 16.626 17.176 1.00 0.14 N ATOM 639 CA ALA A 39 39.206 17.690 16.926 1.00 0.14 C ATOM 640 C ALA A 39 39.908 17.433 15.596 1.00 0.14 C ATOM 641 O ALA A 39 40.918 18.036 15.288 1.00 0.16 O ATOM 642 CB ALA A 39 40.226 17.733 18.057 1.00 0.16 C ATOM 0 H ALA A 39 37.242 16.953 17.217 1.00 0.14 H new ATOM 0 HA ALA A 39 38.696 18.652 16.882 1.00 0.14 H new ATOM 0 HB1 ALA A 39 40.954 18.520 17.860 1.00 0.16 H new ATOM 0 HB2 ALA A 39 39.717 17.937 18.999 1.00 0.16 H new ATOM 0 HB3 ALA A 39 40.738 16.773 18.122 1.00 0.16 H new ATOM 648 N ASN A 40 39.373 16.554 14.797 1.00 0.14 N ATOM 649 CA ASN A 40 39.999 16.272 13.478 1.00 0.16 C ATOM 650 C ASN A 40 39.557 17.357 12.500 1.00 0.14 C ATOM 651 O ASN A 40 38.471 17.306 11.957 1.00 0.15 O ATOM 652 CB ASN A 40 39.540 14.895 12.976 1.00 0.20 C ATOM 653 CG ASN A 40 40.531 14.363 11.937 1.00 0.78 C ATOM 654 OD1 ASN A 40 40.522 13.192 11.615 1.00 1.77 O ATOM 655 ND2 ASN A 40 41.392 15.181 11.396 1.00 1.19 N ATOM 0 H ASN A 40 38.529 16.019 15.001 1.00 0.14 H new ATOM 0 HA ASN A 40 41.086 16.268 13.565 1.00 0.16 H new ATOM 0 HB2 ASN A 40 39.467 14.199 13.812 1.00 0.20 H new ATOM 0 HB3 ASN A 40 38.545 14.971 12.537 1.00 0.20 H new ATOM 0 HD21 ASN A 40 42.057 14.837 10.703 1.00 1.19 H new ATOM 0 HD22 ASN A 40 41.400 16.165 11.666 1.00 1.19 H new ATOM 662 N ILE A 41 40.377 18.351 12.285 1.00 0.13 N ATOM 663 CA ILE A 41 39.987 19.448 11.356 1.00 0.12 C ATOM 664 C ILE A 41 39.391 18.852 10.076 1.00 0.13 C ATOM 665 O ILE A 41 38.395 19.328 9.569 1.00 0.14 O ATOM 666 CB ILE A 41 41.214 20.321 11.049 1.00 0.13 C ATOM 667 CG1 ILE A 41 41.482 21.212 12.279 1.00 0.13 C ATOM 668 CG2 ILE A 41 40.938 21.180 9.801 1.00 0.15 C ATOM 669 CD1 ILE A 41 42.691 22.121 12.048 1.00 0.16 C ATOM 0 H ILE A 41 41.298 18.450 12.712 1.00 0.13 H new ATOM 0 HA ILE A 41 39.228 20.078 11.821 1.00 0.12 H new ATOM 0 HB ILE A 41 42.089 19.703 10.846 1.00 0.13 H new ATOM 0 HG12 ILE A 41 40.602 21.819 12.491 1.00 0.13 H new ATOM 0 HG13 ILE A 41 41.656 20.586 13.154 1.00 0.13 H new ATOM 0 HG21 ILE A 41 41.809 21.798 9.585 1.00 0.15 H new ATOM 0 HG22 ILE A 41 40.734 20.530 8.950 1.00 0.15 H new ATOM 0 HG23 ILE A 41 40.075 21.820 9.984 1.00 0.15 H new ATOM 0 HD11 ILE A 41 42.856 22.738 12.931 1.00 0.16 H new ATOM 0 HD12 ILE A 41 43.575 21.511 11.861 1.00 0.16 H new ATOM 0 HD13 ILE A 41 42.504 22.763 11.187 1.00 0.16 H new ATOM 681 N GLU A 42 39.971 17.806 9.563 1.00 0.15 N ATOM 682 CA GLU A 42 39.405 17.185 8.337 1.00 0.16 C ATOM 683 C GLU A 42 37.929 16.884 8.591 1.00 0.16 C ATOM 684 O GLU A 42 37.065 17.297 7.847 1.00 0.19 O ATOM 685 CB GLU A 42 40.155 15.888 8.022 1.00 0.19 C ATOM 686 CG GLU A 42 41.534 16.225 7.448 1.00 0.26 C ATOM 687 CD GLU A 42 42.379 14.953 7.367 1.00 1.04 C ATOM 688 OE1 GLU A 42 42.304 14.278 6.353 1.00 1.67 O ATOM 689 OE2 GLU A 42 43.089 14.675 8.320 1.00 1.80 O ATOM 0 H GLU A 42 40.807 17.357 9.937 1.00 0.15 H new ATOM 0 HA GLU A 42 39.508 17.862 7.489 1.00 0.16 H new ATOM 0 HB2 GLU A 42 40.262 15.288 8.926 1.00 0.19 H new ATOM 0 HB3 GLU A 42 39.588 15.291 7.308 1.00 0.19 H new ATOM 0 HG2 GLU A 42 41.429 16.668 6.458 1.00 0.26 H new ATOM 0 HG3 GLU A 42 42.030 16.964 8.077 1.00 0.26 H new ATOM 696 N GLU A 43 37.632 16.185 9.653 1.00 0.15 N ATOM 697 CA GLU A 43 36.208 15.881 9.964 1.00 0.16 C ATOM 698 C GLU A 43 35.455 17.194 10.150 1.00 0.15 C ATOM 699 O GLU A 43 34.458 17.442 9.511 1.00 0.21 O ATOM 700 CB GLU A 43 36.107 15.069 11.262 1.00 0.18 C ATOM 701 CG GLU A 43 34.658 14.573 11.464 1.00 0.33 C ATOM 702 CD GLU A 43 34.458 13.236 10.742 1.00 1.21 C ATOM 703 OE1 GLU A 43 35.140 12.288 11.095 1.00 1.95 O ATOM 704 OE2 GLU A 43 33.628 13.185 9.850 1.00 1.84 O ATOM 0 H GLU A 43 38.312 15.813 10.316 1.00 0.15 H new ATOM 0 HA GLU A 43 35.780 15.303 9.145 1.00 0.16 H new ATOM 0 HB2 GLU A 43 36.789 14.219 11.223 1.00 0.18 H new ATOM 0 HB3 GLU A 43 36.411 15.683 12.109 1.00 0.18 H new ATOM 0 HG2 GLU A 43 34.449 14.457 12.527 1.00 0.33 H new ATOM 0 HG3 GLU A 43 33.955 15.312 11.080 1.00 0.33 H new ATOM 711 N ALA A 44 35.917 18.031 11.035 1.00 0.13 N ATOM 712 CA ALA A 44 35.207 19.317 11.270 1.00 0.14 C ATOM 713 C ALA A 44 35.113 20.123 9.977 1.00 0.16 C ATOM 714 O ALA A 44 34.037 20.466 9.529 1.00 0.20 O ATOM 715 CB ALA A 44 35.936 20.132 12.338 1.00 0.14 C ATOM 0 H ALA A 44 36.751 17.881 11.603 1.00 0.13 H new ATOM 0 HA ALA A 44 34.198 19.095 11.616 1.00 0.14 H new ATOM 0 HB1 ALA A 44 35.408 21.071 12.502 1.00 0.14 H new ATOM 0 HB2 ALA A 44 35.968 19.566 13.269 1.00 0.14 H new ATOM 0 HB3 ALA A 44 36.953 20.341 12.005 1.00 0.14 H new ATOM 721 N SER A 45 36.221 20.434 9.376 1.00 0.16 N ATOM 722 CA SER A 45 36.182 21.225 8.114 1.00 0.21 C ATOM 723 C SER A 45 35.138 20.638 7.158 1.00 0.20 C ATOM 724 O SER A 45 34.653 21.310 6.271 1.00 0.32 O ATOM 725 CB SER A 45 37.556 21.190 7.449 1.00 0.26 C ATOM 726 OG SER A 45 37.451 21.704 6.127 1.00 1.01 O ATOM 0 H SER A 45 37.153 20.177 9.701 1.00 0.16 H new ATOM 0 HA SER A 45 35.913 22.255 8.347 1.00 0.21 H new ATOM 0 HB2 SER A 45 38.267 21.781 8.026 1.00 0.26 H new ATOM 0 HB3 SER A 45 37.936 20.168 7.425 1.00 0.26 H new ATOM 0 HG SER A 45 38.332 21.684 5.698 1.00 1.01 H new ATOM 732 N ARG A 46 34.802 19.382 7.316 1.00 0.18 N ATOM 733 CA ARG A 46 33.806 18.755 6.394 1.00 0.20 C ATOM 734 C ARG A 46 32.365 19.010 6.869 1.00 0.16 C ATOM 735 O ARG A 46 31.455 19.044 6.065 1.00 0.22 O ATOM 736 CB ARG A 46 34.073 17.248 6.301 1.00 0.23 C ATOM 737 CG ARG A 46 35.359 17.010 5.493 1.00 0.85 C ATOM 738 CD ARG A 46 35.914 15.610 5.781 1.00 1.14 C ATOM 739 NE ARG A 46 34.992 14.585 5.216 1.00 1.59 N ATOM 740 CZ ARG A 46 35.394 13.352 5.072 1.00 2.17 C ATOM 741 NH1 ARG A 46 36.606 13.014 5.421 1.00 2.66 N ATOM 742 NH2 ARG A 46 34.584 12.456 4.578 1.00 2.87 N ATOM 0 H ARG A 46 35.172 18.766 8.040 1.00 0.18 H new ATOM 0 HA ARG A 46 33.916 19.208 5.409 1.00 0.20 H new ATOM 0 HB2 ARG A 46 34.173 16.822 7.299 1.00 0.23 H new ATOM 0 HB3 ARG A 46 33.231 16.746 5.823 1.00 0.23 H new ATOM 0 HG2 ARG A 46 35.153 17.115 4.428 1.00 0.85 H new ATOM 0 HG3 ARG A 46 36.103 17.764 5.750 1.00 0.85 H new ATOM 0 HD2 ARG A 46 36.906 15.503 5.343 1.00 1.14 H new ATOM 0 HD3 ARG A 46 36.023 15.464 6.856 1.00 1.14 H new ATOM 0 HE ARG A 46 34.045 14.847 4.941 1.00 1.59 H new ATOM 0 HH11 ARG A 46 37.240 13.714 5.807 1.00 2.66 H new ATOM 0 HH12 ARG A 46 36.919 12.050 5.308 1.00 2.66 H new ATOM 0 HH21 ARG A 46 33.637 12.720 4.305 1.00 2.87 H new ATOM 0 HH22 ARG A 46 34.898 11.492 4.465 1.00 2.87 H new ATOM 756 N ARG A 47 32.129 19.207 8.151 1.00 0.13 N ATOM 757 CA ARG A 47 30.713 19.473 8.598 1.00 0.13 C ATOM 758 C ARG A 47 30.430 20.969 8.429 1.00 0.11 C ATOM 759 O ARG A 47 29.374 21.358 7.973 1.00 0.13 O ATOM 760 CB ARG A 47 30.403 19.020 10.074 1.00 0.18 C ATOM 761 CG ARG A 47 31.671 18.641 10.892 1.00 0.49 C ATOM 762 CD ARG A 47 31.383 17.477 11.877 1.00 0.62 C ATOM 763 NE ARG A 47 30.907 17.987 13.207 1.00 0.81 N ATOM 764 CZ ARG A 47 31.670 18.705 13.978 1.00 1.20 C ATOM 765 NH1 ARG A 47 32.883 18.978 13.614 1.00 1.99 N ATOM 766 NH2 ARG A 47 31.237 19.103 15.139 1.00 1.63 N ATOM 0 H ARG A 47 32.832 19.196 8.890 1.00 0.13 H new ATOM 0 HA ARG A 47 30.056 18.869 7.972 1.00 0.13 H new ATOM 0 HB2 ARG A 47 29.877 19.824 10.588 1.00 0.18 H new ATOM 0 HB3 ARG A 47 29.729 18.164 10.048 1.00 0.18 H new ATOM 0 HG2 ARG A 47 32.472 18.354 10.211 1.00 0.49 H new ATOM 0 HG3 ARG A 47 32.021 19.511 11.447 1.00 0.49 H new ATOM 0 HD2 ARG A 47 30.630 16.815 11.449 1.00 0.62 H new ATOM 0 HD3 ARG A 47 32.287 16.884 12.016 1.00 0.62 H new ATOM 0 HE ARG A 47 29.960 17.764 13.514 1.00 0.81 H new ATOM 0 HH11 ARG A 47 33.239 18.630 12.724 1.00 1.99 H new ATOM 0 HH12 ARG A 47 33.482 19.541 14.218 1.00 1.99 H new ATOM 0 HH21 ARG A 47 30.297 18.852 15.446 1.00 1.63 H new ATOM 0 HH22 ARG A 47 31.837 19.666 15.742 1.00 1.63 H new ATOM 780 N ILE A 48 31.366 21.811 8.768 1.00 0.10 N ATOM 781 CA ILE A 48 31.133 23.271 8.590 1.00 0.10 C ATOM 782 C ILE A 48 30.747 23.511 7.135 1.00 0.11 C ATOM 783 O ILE A 48 29.682 24.012 6.837 1.00 0.13 O ATOM 784 CB ILE A 48 32.406 24.041 8.932 1.00 0.10 C ATOM 785 CG1 ILE A 48 32.893 23.596 10.313 1.00 0.09 C ATOM 786 CG2 ILE A 48 32.097 25.540 8.951 1.00 0.11 C ATOM 787 CD1 ILE A 48 34.049 24.486 10.777 1.00 0.10 C ATOM 0 H ILE A 48 32.274 21.555 9.157 1.00 0.10 H new ATOM 0 HA ILE A 48 30.337 23.615 9.250 1.00 0.10 H new ATOM 0 HB ILE A 48 33.178 23.843 8.189 1.00 0.10 H new ATOM 0 HG12 ILE A 48 32.074 23.648 11.030 1.00 0.09 H new ATOM 0 HG13 ILE A 48 33.217 22.556 10.275 1.00 0.09 H new ATOM 0 HG21 ILE A 48 33.003 26.095 9.195 1.00 0.11 H new ATOM 0 HG22 ILE A 48 31.735 25.849 7.971 1.00 0.11 H new ATOM 0 HG23 ILE A 48 31.333 25.745 9.701 1.00 0.11 H new ATOM 0 HD11 ILE A 48 34.387 24.160 11.761 1.00 0.10 H new ATOM 0 HD12 ILE A 48 34.873 24.412 10.067 1.00 0.10 H new ATOM 0 HD13 ILE A 48 33.711 25.521 10.834 1.00 0.10 H new ATOM 799 N GLU A 49 31.596 23.125 6.225 1.00 0.11 N ATOM 800 CA GLU A 49 31.273 23.297 4.780 1.00 0.12 C ATOM 801 C GLU A 49 29.878 22.742 4.528 1.00 0.12 C ATOM 802 O GLU A 49 28.973 23.449 4.131 1.00 0.13 O ATOM 803 CB GLU A 49 32.267 22.497 3.950 1.00 0.13 C ATOM 804 CG GLU A 49 33.619 23.211 3.925 1.00 0.15 C ATOM 805 CD GLU A 49 34.560 22.488 2.959 1.00 0.17 C ATOM 806 OE1 GLU A 49 34.879 21.340 3.222 1.00 1.08 O ATOM 807 OE2 GLU A 49 34.946 23.095 1.973 1.00 1.09 O ATOM 0 H GLU A 49 32.501 22.697 6.419 1.00 0.11 H new ATOM 0 HA GLU A 49 31.322 24.352 4.509 1.00 0.12 H new ATOM 0 HB2 GLU A 49 32.382 21.497 4.369 1.00 0.13 H new ATOM 0 HB3 GLU A 49 31.891 22.376 2.934 1.00 0.13 H new ATOM 0 HG2 GLU A 49 33.489 24.248 3.615 1.00 0.15 H new ATOM 0 HG3 GLU A 49 34.051 23.229 4.925 1.00 0.15 H new ATOM 814 N GLU A 50 29.694 21.474 4.785 1.00 0.12 N ATOM 815 CA GLU A 50 28.353 20.865 4.596 1.00 0.13 C ATOM 816 C GLU A 50 27.356 21.730 5.350 1.00 0.12 C ATOM 817 O GLU A 50 26.179 21.732 5.078 1.00 0.12 O ATOM 818 CB GLU A 50 28.344 19.443 5.163 1.00 0.14 C ATOM 819 CG GLU A 50 26.987 18.791 4.889 1.00 0.17 C ATOM 820 CD GLU A 50 27.025 17.327 5.332 1.00 1.15 C ATOM 821 OE1 GLU A 50 27.313 17.087 6.493 1.00 2.03 O ATOM 822 OE2 GLU A 50 26.767 16.471 4.502 1.00 1.74 O ATOM 0 H GLU A 50 30.417 20.837 5.118 1.00 0.12 H new ATOM 0 HA GLU A 50 28.096 20.811 3.538 1.00 0.13 H new ATOM 0 HB2 GLU A 50 29.140 18.854 4.708 1.00 0.14 H new ATOM 0 HB3 GLU A 50 28.538 19.467 6.235 1.00 0.14 H new ATOM 0 HG2 GLU A 50 26.201 19.324 5.424 1.00 0.17 H new ATOM 0 HG3 GLU A 50 26.749 18.855 3.827 1.00 0.17 H new ATOM 829 N GLY A 51 27.848 22.487 6.288 1.00 0.11 N ATOM 830 CA GLY A 51 26.954 23.392 7.067 1.00 0.10 C ATOM 831 C GLY A 51 26.711 24.650 6.235 1.00 0.10 C ATOM 832 O GLY A 51 25.588 25.024 5.960 1.00 0.11 O ATOM 0 H GLY A 51 28.833 22.520 6.551 1.00 0.11 H new ATOM 0 HA2 GLY A 51 26.010 22.895 7.290 1.00 0.10 H new ATOM 0 HA3 GLY A 51 27.412 23.650 8.022 1.00 0.10 H new ATOM 836 N GLN A 52 27.768 25.289 5.814 1.00 0.10 N ATOM 837 CA GLN A 52 27.631 26.512 4.972 1.00 0.12 C ATOM 838 C GLN A 52 26.678 26.208 3.825 1.00 0.12 C ATOM 839 O GLN A 52 25.775 26.965 3.529 1.00 0.13 O ATOM 840 CB GLN A 52 29.005 26.892 4.419 1.00 0.14 C ATOM 841 CG GLN A 52 29.975 27.098 5.586 1.00 0.19 C ATOM 842 CD GLN A 52 29.636 28.399 6.307 1.00 0.42 C ATOM 843 OE1 GLN A 52 28.936 29.239 5.775 1.00 0.95 O ATOM 844 NE2 GLN A 52 30.103 28.603 7.506 1.00 0.39 N ATOM 0 H GLN A 52 28.729 25.014 6.019 1.00 0.10 H new ATOM 0 HA GLN A 52 27.240 27.340 5.563 1.00 0.12 H new ATOM 0 HB2 GLN A 52 29.374 26.108 3.757 1.00 0.14 H new ATOM 0 HB3 GLN A 52 28.932 27.803 3.825 1.00 0.14 H new ATOM 0 HG2 GLN A 52 29.911 26.259 6.279 1.00 0.19 H new ATOM 0 HG3 GLN A 52 31.001 27.130 5.219 1.00 0.19 H new ATOM 0 HE21 GLN A 52 30.690 27.898 7.951 1.00 0.39 H new ATOM 0 HE22 GLN A 52 29.882 29.468 7.999 1.00 0.39 H new ATOM 853 N TYR A 53 26.867 25.093 3.187 1.00 0.12 N ATOM 854 CA TYR A 53 25.962 24.722 2.064 1.00 0.13 C ATOM 855 C TYR A 53 24.521 24.628 2.594 1.00 0.13 C ATOM 856 O TYR A 53 23.602 25.163 2.006 1.00 0.15 O ATOM 857 CB TYR A 53 26.407 23.373 1.459 1.00 0.14 C ATOM 858 CG TYR A 53 25.264 22.745 0.687 1.00 0.15 C ATOM 859 CD1 TYR A 53 24.281 22.033 1.377 1.00 0.16 C ATOM 860 CD2 TYR A 53 25.179 22.887 -0.702 1.00 0.17 C ATOM 861 CE1 TYR A 53 23.211 21.460 0.690 1.00 0.18 C ATOM 862 CE2 TYR A 53 24.105 22.314 -1.398 1.00 0.19 C ATOM 863 CZ TYR A 53 23.119 21.600 -0.701 1.00 0.19 C ATOM 864 OH TYR A 53 22.061 21.036 -1.384 1.00 0.22 O ATOM 0 H TYR A 53 27.607 24.421 3.391 1.00 0.12 H new ATOM 0 HA TYR A 53 26.007 25.480 1.282 1.00 0.13 H new ATOM 0 HB2 TYR A 53 27.261 23.526 0.799 1.00 0.14 H new ATOM 0 HB3 TYR A 53 26.733 22.700 2.252 1.00 0.14 H new ATOM 0 HD1 TYR A 53 24.350 21.925 2.449 1.00 0.16 H new ATOM 0 HD2 TYR A 53 25.939 23.437 -1.237 1.00 0.17 H new ATOM 0 HE1 TYR A 53 22.455 20.909 1.229 1.00 0.18 H new ATOM 0 HE2 TYR A 53 24.037 22.422 -2.470 1.00 0.19 H new ATOM 0 HH TYR A 53 22.149 21.228 -2.341 1.00 0.22 H new ATOM 874 N VAL A 54 24.314 23.953 3.695 1.00 0.15 N ATOM 875 CA VAL A 54 22.927 23.836 4.239 1.00 0.14 C ATOM 876 C VAL A 54 22.320 25.233 4.357 1.00 0.14 C ATOM 877 O VAL A 54 21.349 25.561 3.704 1.00 0.15 O ATOM 878 CB VAL A 54 22.944 23.181 5.633 1.00 0.13 C ATOM 879 CG1 VAL A 54 21.514 23.177 6.188 1.00 0.14 C ATOM 880 CG2 VAL A 54 23.477 21.723 5.562 1.00 0.14 C ATOM 0 H VAL A 54 25.038 23.481 4.237 1.00 0.15 H new ATOM 0 HA VAL A 54 22.336 23.217 3.564 1.00 0.14 H new ATOM 0 HB VAL A 54 23.607 23.751 6.284 1.00 0.13 H new ATOM 0 HG11 VAL A 54 21.508 22.716 7.176 1.00 0.14 H new ATOM 0 HG12 VAL A 54 21.150 24.202 6.264 1.00 0.14 H new ATOM 0 HG13 VAL A 54 20.866 22.610 5.519 1.00 0.14 H new ATOM 0 HG21 VAL A 54 23.477 21.287 6.561 1.00 0.14 H new ATOM 0 HG22 VAL A 54 22.835 21.132 4.908 1.00 0.14 H new ATOM 0 HG23 VAL A 54 24.493 21.726 5.167 1.00 0.14 H new ATOM 890 N VAL A 55 22.888 26.054 5.190 1.00 0.15 N ATOM 891 CA VAL A 55 22.358 27.432 5.368 1.00 0.16 C ATOM 892 C VAL A 55 22.307 28.137 4.011 1.00 0.19 C ATOM 893 O VAL A 55 21.270 28.598 3.575 1.00 0.22 O ATOM 894 CB VAL A 55 23.281 28.202 6.316 1.00 0.19 C ATOM 895 CG1 VAL A 55 22.641 29.540 6.688 1.00 0.29 C ATOM 896 CG2 VAL A 55 23.507 27.375 7.585 1.00 0.13 C ATOM 0 H VAL A 55 23.703 25.829 5.760 1.00 0.15 H new ATOM 0 HA VAL A 55 21.353 27.392 5.788 1.00 0.16 H new ATOM 0 HB VAL A 55 24.235 28.385 5.822 1.00 0.19 H new ATOM 0 HG11 VAL A 55 23.302 30.084 7.363 1.00 0.29 H new ATOM 0 HG12 VAL A 55 22.479 30.129 5.785 1.00 0.29 H new ATOM 0 HG13 VAL A 55 21.686 29.362 7.181 1.00 0.29 H new ATOM 0 HG21 VAL A 55 24.164 27.920 8.263 1.00 0.13 H new ATOM 0 HG22 VAL A 55 22.551 27.192 8.075 1.00 0.13 H new ATOM 0 HG23 VAL A 55 23.967 26.423 7.322 1.00 0.13 H new ATOM 906 N ASN A 56 23.422 28.229 3.344 1.00 0.22 N ATOM 907 CA ASN A 56 23.449 28.908 2.017 1.00 0.27 C ATOM 908 C ASN A 56 22.366 28.321 1.109 1.00 0.26 C ATOM 909 O ASN A 56 21.580 29.038 0.521 1.00 0.33 O ATOM 910 CB ASN A 56 24.819 28.702 1.367 1.00 0.35 C ATOM 911 CG ASN A 56 25.905 29.324 2.246 1.00 0.71 C ATOM 912 OD1 ASN A 56 25.634 29.770 3.344 1.00 1.56 O ATOM 913 ND2 ASN A 56 27.133 29.374 1.807 1.00 0.90 N ATOM 0 H ASN A 56 24.320 27.862 3.661 1.00 0.22 H new ATOM 0 HA ASN A 56 23.264 29.973 2.157 1.00 0.27 H new ATOM 0 HB2 ASN A 56 25.012 27.638 1.232 1.00 0.35 H new ATOM 0 HB3 ASN A 56 24.834 29.157 0.377 1.00 0.35 H new ATOM 0 HD21 ASN A 56 27.865 29.787 2.385 1.00 0.90 H new ATOM 0 HD22 ASN A 56 27.361 29.000 0.886 1.00 0.90 H new ATOM 920 N GLU A 57 22.322 27.023 0.983 1.00 0.24 N ATOM 921 CA GLU A 57 21.294 26.393 0.104 1.00 0.26 C ATOM 922 C GLU A 57 19.899 26.622 0.693 1.00 0.25 C ATOM 923 O GLU A 57 19.031 27.182 0.054 1.00 0.32 O ATOM 924 CB GLU A 57 21.567 24.887 -0.002 1.00 0.29 C ATOM 925 CG GLU A 57 20.815 24.300 -1.203 1.00 0.50 C ATOM 926 CD GLU A 57 19.307 24.344 -0.941 1.00 1.58 C ATOM 927 OE1 GLU A 57 18.895 23.886 0.112 1.00 2.37 O ATOM 928 OE2 GLU A 57 18.591 24.835 -1.798 1.00 2.31 O ATOM 0 H GLU A 57 22.952 26.371 1.450 1.00 0.24 H new ATOM 0 HA GLU A 57 21.342 26.842 -0.888 1.00 0.26 H new ATOM 0 HB2 GLU A 57 22.637 24.710 -0.111 1.00 0.29 H new ATOM 0 HB3 GLU A 57 21.253 24.387 0.914 1.00 0.29 H new ATOM 0 HG2 GLU A 57 21.054 24.864 -2.105 1.00 0.50 H new ATOM 0 HG3 GLU A 57 21.134 23.272 -1.377 1.00 0.50 H new ATOM 1388 N VAL B 8 13.079 21.700 10.887 1.00 0.33 N ATOM 1389 CA VAL B 8 13.130 21.900 12.364 1.00 0.39 C ATOM 1390 C VAL B 8 14.585 21.979 12.830 1.00 0.36 C ATOM 1391 O VAL B 8 14.885 22.545 13.860 1.00 0.48 O ATOM 1392 CB VAL B 8 12.430 20.738 13.069 1.00 0.50 C ATOM 1393 CG1 VAL B 8 12.169 21.115 14.530 1.00 0.98 C ATOM 1394 CG2 VAL B 8 11.099 20.450 12.373 1.00 1.19 C ATOM 0 HA VAL B 8 12.622 22.832 12.612 1.00 0.39 H new ATOM 0 HB VAL B 8 13.062 19.851 13.028 1.00 0.50 H new ATOM 0 HG11 VAL B 8 11.670 20.288 15.035 1.00 0.98 H new ATOM 0 HG12 VAL B 8 13.116 21.325 15.026 1.00 0.98 H new ATOM 0 HG13 VAL B 8 11.535 22.001 14.570 1.00 0.98 H new ATOM 0 HG21 VAL B 8 10.598 19.622 12.874 1.00 1.19 H new ATOM 0 HG22 VAL B 8 10.466 21.336 12.417 1.00 1.19 H new ATOM 0 HG23 VAL B 8 11.283 20.186 11.331 1.00 1.19 H new ATOM 1404 N PHE B 9 15.496 21.418 12.086 1.00 0.28 N ATOM 1405 CA PHE B 9 16.922 21.478 12.509 1.00 0.27 C ATOM 1406 C PHE B 9 17.381 22.938 12.514 1.00 0.25 C ATOM 1407 O PHE B 9 18.060 23.381 13.419 1.00 0.32 O ATOM 1408 CB PHE B 9 17.786 20.655 11.542 1.00 0.26 C ATOM 1409 CG PHE B 9 19.077 20.276 12.230 1.00 0.21 C ATOM 1410 CD1 PHE B 9 20.051 21.251 12.464 1.00 0.23 C ATOM 1411 CD2 PHE B 9 19.291 18.956 12.647 1.00 0.18 C ATOM 1412 CE1 PHE B 9 21.240 20.908 13.112 1.00 0.23 C ATOM 1413 CE2 PHE B 9 20.482 18.615 13.298 1.00 0.18 C ATOM 1414 CZ PHE B 9 21.455 19.593 13.529 1.00 0.20 C ATOM 0 H PHE B 9 15.318 20.925 11.211 1.00 0.28 H new ATOM 0 HA PHE B 9 17.027 21.062 13.511 1.00 0.27 H new ATOM 0 HB2 PHE B 9 17.250 19.759 11.229 1.00 0.26 H new ATOM 0 HB3 PHE B 9 17.996 21.232 10.641 1.00 0.26 H new ATOM 0 HD1 PHE B 9 19.884 22.269 12.144 1.00 0.23 H new ATOM 0 HD2 PHE B 9 18.538 18.203 12.466 1.00 0.18 H new ATOM 0 HE1 PHE B 9 21.994 21.661 13.291 1.00 0.23 H new ATOM 0 HE2 PHE B 9 20.650 17.598 13.622 1.00 0.18 H new ATOM 0 HZ PHE B 9 22.374 19.330 14.031 1.00 0.20 H new ATOM 1424 N LEU B 10 17.005 23.693 11.519 1.00 0.23 N ATOM 1425 CA LEU B 10 17.410 25.125 11.482 1.00 0.23 C ATOM 1426 C LEU B 10 16.661 25.872 12.585 1.00 0.24 C ATOM 1427 O LEU B 10 17.156 26.823 13.155 1.00 0.28 O ATOM 1428 CB LEU B 10 17.064 25.721 10.116 1.00 0.25 C ATOM 1429 CG LEU B 10 17.460 24.729 9.022 1.00 0.24 C ATOM 1430 CD1 LEU B 10 17.220 25.354 7.651 1.00 0.30 C ATOM 1431 CD2 LEU B 10 18.942 24.366 9.167 1.00 0.23 C ATOM 0 H LEU B 10 16.436 23.381 10.732 1.00 0.23 H new ATOM 0 HA LEU B 10 18.485 25.216 11.641 1.00 0.23 H new ATOM 0 HB2 LEU B 10 15.997 25.937 10.059 1.00 0.25 H new ATOM 0 HB3 LEU B 10 17.588 26.666 9.974 1.00 0.25 H new ATOM 0 HG LEU B 10 16.856 23.827 9.119 1.00 0.24 H new ATOM 0 HD11 LEU B 10 17.503 24.645 6.873 1.00 0.30 H new ATOM 0 HD12 LEU B 10 16.165 25.606 7.546 1.00 0.30 H new ATOM 0 HD13 LEU B 10 17.820 26.258 7.553 1.00 0.30 H new ATOM 0 HD21 LEU B 10 19.221 23.659 8.386 1.00 0.23 H new ATOM 0 HD22 LEU B 10 19.548 25.267 9.074 1.00 0.23 H new ATOM 0 HD23 LEU B 10 19.112 23.913 10.144 1.00 0.23 H new ATOM 1443 N ASP B 11 15.471 25.438 12.900 1.00 0.23 N ATOM 1444 CA ASP B 11 14.700 26.113 13.981 1.00 0.25 C ATOM 1445 C ASP B 11 15.528 26.075 15.267 1.00 0.22 C ATOM 1446 O ASP B 11 15.825 27.096 15.854 1.00 0.30 O ATOM 1447 CB ASP B 11 13.370 25.385 14.200 1.00 0.30 C ATOM 1448 CG ASP B 11 12.553 25.413 12.907 1.00 0.97 C ATOM 1449 OD1 ASP B 11 13.156 25.370 11.848 1.00 1.67 O ATOM 1450 OD2 ASP B 11 11.338 25.475 12.999 1.00 1.67 O ATOM 0 H ASP B 11 15.001 24.648 12.457 1.00 0.23 H new ATOM 0 HA ASP B 11 14.493 27.146 13.702 1.00 0.25 H new ATOM 0 HB2 ASP B 11 13.553 24.355 14.504 1.00 0.30 H new ATOM 0 HB3 ASP B 11 12.811 25.861 15.006 1.00 0.30 H new ATOM 1455 N TYR B 12 15.915 24.904 15.703 1.00 0.17 N ATOM 1456 CA TYR B 12 16.735 24.807 16.941 1.00 0.15 C ATOM 1457 C TYR B 12 17.942 25.736 16.810 1.00 0.16 C ATOM 1458 O TYR B 12 18.261 26.490 17.707 1.00 0.23 O ATOM 1459 CB TYR B 12 17.216 23.360 17.128 1.00 0.14 C ATOM 1460 CG TYR B 12 16.035 22.456 17.441 1.00 0.17 C ATOM 1461 CD1 TYR B 12 15.258 22.681 18.587 1.00 0.23 C ATOM 1462 CD2 TYR B 12 15.719 21.390 16.588 1.00 0.20 C ATOM 1463 CE1 TYR B 12 14.172 21.845 18.875 1.00 0.27 C ATOM 1464 CE2 TYR B 12 14.633 20.555 16.877 1.00 0.24 C ATOM 1465 CZ TYR B 12 13.860 20.782 18.020 1.00 0.27 C ATOM 1466 OH TYR B 12 12.790 19.959 18.305 1.00 0.32 O ATOM 0 H TYR B 12 15.698 24.014 15.254 1.00 0.17 H new ATOM 0 HA TYR B 12 16.137 25.099 17.804 1.00 0.15 H new ATOM 0 HB2 TYR B 12 17.719 23.016 16.224 1.00 0.14 H new ATOM 0 HB3 TYR B 12 17.945 23.312 17.936 1.00 0.14 H new ATOM 0 HD1 TYR B 12 15.498 23.500 19.248 1.00 0.23 H new ATOM 0 HD2 TYR B 12 16.315 21.212 15.705 1.00 0.20 H new ATOM 0 HE1 TYR B 12 13.575 22.021 19.758 1.00 0.27 H new ATOM 0 HE2 TYR B 12 14.392 19.735 16.217 1.00 0.24 H new ATOM 0 HH TYR B 12 12.711 19.272 17.610 1.00 0.32 H new ATOM 1476 N CYS B 13 18.610 25.690 15.692 1.00 0.19 N ATOM 1477 CA CYS B 13 19.790 26.571 15.488 1.00 0.24 C ATOM 1478 C CYS B 13 19.383 28.021 15.740 1.00 0.26 C ATOM 1479 O CYS B 13 20.081 28.769 16.397 1.00 0.33 O ATOM 1480 CB CYS B 13 20.290 26.427 14.050 1.00 0.30 C ATOM 1481 SG CYS B 13 20.933 24.756 13.791 1.00 1.27 S ATOM 0 H CYS B 13 18.387 25.077 14.908 1.00 0.19 H new ATOM 0 HA CYS B 13 20.584 26.287 16.179 1.00 0.24 H new ATOM 0 HB2 CYS B 13 19.478 26.627 13.351 1.00 0.30 H new ATOM 0 HB3 CYS B 13 21.070 27.162 13.851 1.00 0.30 H new ATOM 0 HG CYS B 13 19.944 23.936 13.596 1.00 1.27 H new ATOM 1487 N GLN B 14 18.255 28.423 15.226 1.00 0.24 N ATOM 1488 CA GLN B 14 17.795 29.823 15.436 1.00 0.27 C ATOM 1489 C GLN B 14 17.870 30.153 16.927 1.00 0.24 C ATOM 1490 O GLN B 14 18.351 31.198 17.319 1.00 0.29 O ATOM 1491 CB GLN B 14 16.352 29.963 14.948 1.00 0.32 C ATOM 1492 CG GLN B 14 15.972 31.443 14.907 1.00 0.62 C ATOM 1493 CD GLN B 14 14.601 31.602 14.246 1.00 0.88 C ATOM 1494 OE1 GLN B 14 13.639 30.986 14.661 1.00 1.69 O ATOM 1495 NE2 GLN B 14 14.469 32.407 13.227 1.00 1.44 N ATOM 0 H GLN B 14 17.630 27.841 14.668 1.00 0.24 H new ATOM 0 HA GLN B 14 18.430 30.510 14.877 1.00 0.27 H new ATOM 0 HB2 GLN B 14 16.247 29.522 13.957 1.00 0.32 H new ATOM 0 HB3 GLN B 14 15.678 29.421 15.611 1.00 0.32 H new ATOM 0 HG2 GLN B 14 15.950 31.851 15.917 1.00 0.62 H new ATOM 0 HG3 GLN B 14 16.722 32.006 14.352 1.00 0.62 H new ATOM 0 HE21 GLN B 14 15.276 32.924 12.878 1.00 1.44 H new ATOM 0 HE22 GLN B 14 13.559 32.519 12.780 1.00 1.44 H new ATOM 1504 N LYS B 15 17.409 29.263 17.762 1.00 0.23 N ATOM 1505 CA LYS B 15 17.466 29.519 19.227 1.00 0.23 C ATOM 1506 C LYS B 15 18.934 29.592 19.654 1.00 0.20 C ATOM 1507 O LYS B 15 19.391 30.584 20.184 1.00 0.23 O ATOM 1508 CB LYS B 15 16.768 28.378 19.967 1.00 0.24 C ATOM 1509 CG LYS B 15 15.293 28.342 19.562 1.00 0.55 C ATOM 1510 CD LYS B 15 14.652 27.045 20.065 1.00 1.19 C ATOM 1511 CE LYS B 15 14.581 27.056 21.596 1.00 1.47 C ATOM 1512 NZ LYS B 15 13.608 26.024 22.052 1.00 2.21 N ATOM 0 H LYS B 15 16.996 28.370 17.492 1.00 0.23 H new ATOM 0 HA LYS B 15 16.966 30.458 19.466 1.00 0.23 H new ATOM 0 HB2 LYS B 15 17.246 27.428 19.728 1.00 0.24 H new ATOM 0 HB3 LYS B 15 16.858 28.519 21.044 1.00 0.24 H new ATOM 0 HG2 LYS B 15 14.770 29.203 19.979 1.00 0.55 H new ATOM 0 HG3 LYS B 15 15.202 28.408 18.478 1.00 0.55 H new ATOM 0 HD2 LYS B 15 13.651 26.938 19.647 1.00 1.19 H new ATOM 0 HD3 LYS B 15 15.232 26.187 19.726 1.00 1.19 H new ATOM 0 HE2 LYS B 15 15.566 26.856 22.018 1.00 1.47 H new ATOM 0 HE3 LYS B 15 14.277 28.041 21.950 1.00 1.47 H new ATOM 0 HZ1 LYS B 15 13.558 26.029 23.091 1.00 2.21 H new ATOM 0 HZ2 LYS B 15 12.669 26.235 21.659 1.00 2.21 H new ATOM 0 HZ3 LYS B 15 13.918 25.087 21.725 1.00 2.21 H new ATOM 1526 N LEU B 16 19.679 28.550 19.410 1.00 0.18 N ATOM 1527 CA LEU B 16 21.123 28.549 19.778 1.00 0.17 C ATOM 1528 C LEU B 16 21.760 29.857 19.288 1.00 0.18 C ATOM 1529 O LEU B 16 22.772 30.300 19.793 1.00 0.23 O ATOM 1530 CB LEU B 16 21.795 27.335 19.091 1.00 0.15 C ATOM 1531 CG LEU B 16 22.773 26.631 20.045 1.00 0.15 C ATOM 1532 CD1 LEU B 16 22.001 25.882 21.157 1.00 0.25 C ATOM 1533 CD2 LEU B 16 23.628 25.652 19.230 1.00 0.18 C ATOM 0 H LEU B 16 19.347 27.693 18.968 1.00 0.18 H new ATOM 0 HA LEU B 16 21.251 28.476 20.858 1.00 0.17 H new ATOM 0 HB2 LEU B 16 21.031 26.630 18.763 1.00 0.15 H new ATOM 0 HB3 LEU B 16 22.327 27.666 18.199 1.00 0.15 H new ATOM 0 HG LEU B 16 23.415 27.369 20.526 1.00 0.15 H new ATOM 0 HD11 LEU B 16 22.709 25.389 21.823 1.00 0.25 H new ATOM 0 HD12 LEU B 16 21.402 26.593 21.726 1.00 0.25 H new ATOM 0 HD13 LEU B 16 21.347 25.135 20.706 1.00 0.25 H new ATOM 0 HD21 LEU B 16 24.329 25.143 19.892 1.00 0.18 H new ATOM 0 HD22 LEU B 16 22.982 24.917 18.751 1.00 0.18 H new ATOM 0 HD23 LEU B 16 24.182 26.200 18.468 1.00 0.18 H new ATOM 1545 N LEU B 17 21.178 30.459 18.290 1.00 0.17 N ATOM 1546 CA LEU B 17 21.740 31.719 17.735 1.00 0.19 C ATOM 1547 C LEU B 17 21.275 32.933 18.550 1.00 0.22 C ATOM 1548 O LEU B 17 22.074 33.678 19.081 1.00 0.30 O ATOM 1549 CB LEU B 17 21.255 31.861 16.289 1.00 0.19 C ATOM 1550 CG LEU B 17 22.130 32.879 15.530 1.00 0.22 C ATOM 1551 CD1 LEU B 17 23.378 32.182 14.971 1.00 0.14 C ATOM 1552 CD2 LEU B 17 21.338 33.482 14.362 1.00 0.33 C ATOM 0 H LEU B 17 20.329 30.128 17.831 1.00 0.17 H new ATOM 0 HA LEU B 17 22.828 31.679 17.778 1.00 0.19 H new ATOM 0 HB2 LEU B 17 21.293 30.893 15.788 1.00 0.19 H new ATOM 0 HB3 LEU B 17 20.214 32.185 16.277 1.00 0.19 H new ATOM 0 HG LEU B 17 22.426 33.668 16.222 1.00 0.22 H new ATOM 0 HD11 LEU B 17 23.991 32.907 14.436 1.00 0.14 H new ATOM 0 HD12 LEU B 17 23.954 31.755 15.792 1.00 0.14 H new ATOM 0 HD13 LEU B 17 23.076 31.388 14.288 1.00 0.14 H new ATOM 0 HD21 LEU B 17 21.963 34.200 13.831 1.00 0.33 H new ATOM 0 HD22 LEU B 17 21.036 32.688 13.679 1.00 0.33 H new ATOM 0 HD23 LEU B 17 20.451 33.987 14.746 1.00 0.33 H new ATOM 1564 N GLU B 18 19.993 33.151 18.631 1.00 0.20 N ATOM 1565 CA GLU B 18 19.480 34.330 19.385 1.00 0.24 C ATOM 1566 C GLU B 18 19.939 34.272 20.847 1.00 0.22 C ATOM 1567 O GLU B 18 20.274 35.279 21.439 1.00 0.26 O ATOM 1568 CB GLU B 18 17.945 34.351 19.308 1.00 0.30 C ATOM 1569 CG GLU B 18 17.343 33.318 20.272 1.00 1.05 C ATOM 1570 CD GLU B 18 15.908 32.989 19.851 1.00 1.67 C ATOM 1571 OE1 GLU B 18 15.383 33.697 19.007 1.00 2.29 O ATOM 1572 OE2 GLU B 18 15.360 32.036 20.379 1.00 2.17 O ATOM 0 H GLU B 18 19.276 32.563 18.207 1.00 0.20 H new ATOM 0 HA GLU B 18 19.877 35.242 18.940 1.00 0.24 H new ATOM 0 HB2 GLU B 18 17.576 35.346 19.556 1.00 0.30 H new ATOM 0 HB3 GLU B 18 17.623 34.137 18.289 1.00 0.30 H new ATOM 0 HG2 GLU B 18 17.948 32.412 20.272 1.00 1.05 H new ATOM 0 HG3 GLU B 18 17.353 33.708 21.290 1.00 1.05 H new ATOM 1579 N LYS B 19 19.951 33.109 21.436 1.00 0.19 N ATOM 1580 CA LYS B 19 20.380 33.003 22.858 1.00 0.20 C ATOM 1581 C LYS B 19 21.800 33.567 22.996 1.00 0.19 C ATOM 1582 O LYS B 19 22.064 34.412 23.828 1.00 0.26 O ATOM 1583 CB LYS B 19 20.332 31.514 23.285 1.00 0.21 C ATOM 1584 CG LYS B 19 19.435 31.331 24.520 1.00 0.29 C ATOM 1585 CD LYS B 19 19.397 29.848 24.917 1.00 0.33 C ATOM 1586 CE LYS B 19 18.163 29.573 25.780 1.00 0.95 C ATOM 1587 NZ LYS B 19 18.104 30.559 26.896 1.00 1.68 N ATOM 0 H LYS B 19 19.683 32.229 20.995 1.00 0.19 H new ATOM 0 HA LYS B 19 19.715 33.575 23.504 1.00 0.20 H new ATOM 0 HB2 LYS B 19 19.955 30.907 22.462 1.00 0.21 H new ATOM 0 HB3 LYS B 19 21.339 31.161 23.506 1.00 0.21 H new ATOM 0 HG2 LYS B 19 19.814 31.930 25.348 1.00 0.29 H new ATOM 0 HG3 LYS B 19 18.427 31.686 24.305 1.00 0.29 H new ATOM 0 HD2 LYS B 19 19.374 29.224 24.024 1.00 0.33 H new ATOM 0 HD3 LYS B 19 20.302 29.586 25.466 1.00 0.33 H new ATOM 0 HE2 LYS B 19 17.260 29.641 25.173 1.00 0.95 H new ATOM 0 HE3 LYS B 19 18.204 28.559 26.179 1.00 0.95 H new ATOM 0 HZ1 LYS B 19 17.496 30.189 27.654 1.00 1.68 H new ATOM 0 HZ2 LYS B 19 19.062 30.720 27.268 1.00 1.68 H new ATOM 0 HZ3 LYS B 19 17.713 31.457 26.546 1.00 1.68 H new ATOM 1601 N PHE B 20 22.710 33.111 22.184 1.00 0.15 N ATOM 1602 CA PHE B 20 24.101 33.622 22.260 1.00 0.15 C ATOM 1603 C PHE B 20 24.178 34.957 21.515 1.00 0.16 C ATOM 1604 O PHE B 20 25.236 35.530 21.344 1.00 0.25 O ATOM 1605 CB PHE B 20 25.032 32.603 21.611 1.00 0.14 C ATOM 1606 CG PHE B 20 25.196 31.412 22.529 1.00 0.13 C ATOM 1607 CD1 PHE B 20 24.161 30.475 22.632 1.00 0.14 C ATOM 1608 CD2 PHE B 20 26.374 31.237 23.275 1.00 0.14 C ATOM 1609 CE1 PHE B 20 24.297 29.367 23.473 1.00 0.14 C ATOM 1610 CE2 PHE B 20 26.507 30.125 24.117 1.00 0.15 C ATOM 1611 CZ PHE B 20 25.469 29.191 24.215 1.00 0.14 C ATOM 0 H PHE B 20 22.547 32.403 21.468 1.00 0.15 H new ATOM 0 HA PHE B 20 24.399 33.773 23.298 1.00 0.15 H new ATOM 0 HB2 PHE B 20 24.626 32.283 20.652 1.00 0.14 H new ATOM 0 HB3 PHE B 20 26.002 33.057 21.410 1.00 0.14 H new ATOM 0 HD1 PHE B 20 23.255 30.609 22.060 1.00 0.14 H new ATOM 0 HD2 PHE B 20 27.175 31.958 23.200 1.00 0.14 H new ATOM 0 HE1 PHE B 20 23.496 28.646 23.550 1.00 0.14 H new ATOM 0 HE2 PHE B 20 27.411 29.988 24.691 1.00 0.15 H new ATOM 0 HZ PHE B 20 25.573 28.334 24.864 1.00 0.14 H new ATOM 1621 N ARG B 21 23.050 35.458 21.082 1.00 0.15 N ATOM 1622 CA ARG B 21 23.023 36.764 20.357 1.00 0.17 C ATOM 1623 C ARG B 21 24.018 36.762 19.187 1.00 0.14 C ATOM 1624 O ARG B 21 24.673 37.753 18.929 1.00 0.18 O ATOM 1625 CB ARG B 21 23.396 37.892 21.332 1.00 0.23 C ATOM 1626 CG ARG B 21 22.241 38.152 22.328 1.00 0.58 C ATOM 1627 CD ARG B 21 21.334 39.284 21.815 1.00 1.16 C ATOM 1628 NE ARG B 21 21.260 39.238 20.328 1.00 1.87 N ATOM 1629 CZ ARG B 21 20.316 39.891 19.705 1.00 2.62 C ATOM 1630 NH1 ARG B 21 19.444 40.583 20.386 1.00 2.94 N ATOM 1631 NH2 ARG B 21 20.246 39.855 18.402 1.00 3.56 N ATOM 0 H ARG B 21 22.139 35.015 21.201 1.00 0.15 H new ATOM 0 HA ARG B 21 22.019 36.920 19.962 1.00 0.17 H new ATOM 0 HB2 ARG B 21 24.301 37.625 21.877 1.00 0.23 H new ATOM 0 HB3 ARG B 21 23.616 38.803 20.776 1.00 0.23 H new ATOM 0 HG2 ARG B 21 21.656 37.242 22.462 1.00 0.58 H new ATOM 0 HG3 ARG B 21 22.647 38.417 23.304 1.00 0.58 H new ATOM 0 HD2 ARG B 21 20.336 39.184 22.241 1.00 1.16 H new ATOM 0 HD3 ARG B 21 21.723 40.249 22.139 1.00 1.16 H new ATOM 0 HE ARG B 21 21.944 38.698 19.798 1.00 1.87 H new ATOM 0 HH11 ARG B 21 19.500 40.614 21.404 1.00 2.94 H new ATOM 0 HH12 ARG B 21 18.706 41.093 19.900 1.00 2.94 H new ATOM 0 HH21 ARG B 21 20.929 39.316 17.869 1.00 3.56 H new ATOM 0 HH22 ARG B 21 19.508 40.365 17.917 1.00 3.56 H new ATOM 1645 N TYR B 22 24.143 35.673 18.468 1.00 0.14 N ATOM 1646 CA TYR B 22 25.103 35.652 17.319 1.00 0.13 C ATOM 1647 C TYR B 22 24.399 36.213 16.056 1.00 0.15 C ATOM 1648 O TYR B 22 23.197 36.084 15.934 1.00 0.16 O ATOM 1649 CB TYR B 22 25.536 34.201 17.035 1.00 0.12 C ATOM 1650 CG TYR B 22 26.683 33.769 17.944 1.00 0.13 C ATOM 1651 CD1 TYR B 22 27.877 34.515 18.018 1.00 0.14 C ATOM 1652 CD2 TYR B 22 26.550 32.604 18.714 1.00 0.14 C ATOM 1653 CE1 TYR B 22 28.916 34.093 18.856 1.00 0.17 C ATOM 1654 CE2 TYR B 22 27.592 32.187 19.549 1.00 0.17 C ATOM 1655 CZ TYR B 22 28.773 32.931 19.620 1.00 0.18 C ATOM 1656 OH TYR B 22 29.800 32.519 20.443 1.00 0.21 O ATOM 0 H TYR B 22 23.628 34.806 18.624 1.00 0.14 H new ATOM 0 HA TYR B 22 25.974 36.258 17.567 1.00 0.13 H new ATOM 0 HB2 TYR B 22 24.687 33.533 17.177 1.00 0.12 H new ATOM 0 HB3 TYR B 22 25.842 34.109 15.993 1.00 0.12 H new ATOM 0 HD1 TYR B 22 27.990 35.412 17.428 1.00 0.14 H new ATOM 0 HD2 TYR B 22 25.639 32.026 18.662 1.00 0.14 H new ATOM 0 HE1 TYR B 22 29.830 34.666 18.912 1.00 0.17 H new ATOM 0 HE2 TYR B 22 27.484 31.289 20.139 1.00 0.17 H new ATOM 0 HH TYR B 22 30.642 32.521 19.941 1.00 0.21 H new ATOM 1666 N PRO B 23 25.156 36.796 15.132 1.00 0.16 N ATOM 1667 CA PRO B 23 24.574 37.329 13.882 1.00 0.18 C ATOM 1668 C PRO B 23 23.966 36.181 13.054 1.00 0.19 C ATOM 1669 O PRO B 23 24.048 35.026 13.418 1.00 0.19 O ATOM 1670 CB PRO B 23 25.754 37.989 13.136 1.00 0.19 C ATOM 1671 CG PRO B 23 27.048 37.644 13.921 1.00 0.17 C ATOM 1672 CD PRO B 23 26.620 36.981 15.250 1.00 0.15 C ATOM 0 HA PRO B 23 23.771 38.043 14.066 1.00 0.18 H new ATOM 0 HB2 PRO B 23 25.816 37.620 12.112 1.00 0.19 H new ATOM 0 HB3 PRO B 23 25.616 39.069 13.078 1.00 0.19 H new ATOM 0 HG2 PRO B 23 27.680 36.970 13.342 1.00 0.17 H new ATOM 0 HG3 PRO B 23 27.632 38.544 14.112 1.00 0.17 H new ATOM 0 HD2 PRO B 23 27.128 36.028 15.397 1.00 0.15 H new ATOM 0 HD3 PRO B 23 26.871 37.611 16.104 1.00 0.15 H new ATOM 1680 N TRP B 24 23.350 36.506 11.949 1.00 0.22 N ATOM 1681 CA TRP B 24 22.715 35.458 11.089 1.00 0.24 C ATOM 1682 C TRP B 24 23.759 34.733 10.226 1.00 0.25 C ATOM 1683 O TRP B 24 23.477 33.701 9.649 1.00 0.34 O ATOM 1684 CB TRP B 24 21.677 36.128 10.180 1.00 0.28 C ATOM 1685 CG TRP B 24 21.129 35.131 9.207 1.00 0.53 C ATOM 1686 CD1 TRP B 24 21.456 35.069 7.895 1.00 1.45 C ATOM 1687 CD2 TRP B 24 20.169 34.059 9.440 1.00 0.35 C ATOM 1688 NE1 TRP B 24 20.758 34.029 7.309 1.00 1.68 N ATOM 1689 CE2 TRP B 24 19.952 33.377 8.220 1.00 0.93 C ATOM 1690 CE3 TRP B 24 19.473 33.618 10.580 1.00 0.96 C ATOM 1691 CZ2 TRP B 24 19.075 32.295 8.133 1.00 0.85 C ATOM 1692 CZ3 TRP B 24 18.590 32.528 10.496 1.00 1.15 C ATOM 1693 CH2 TRP B 24 18.392 31.869 9.274 1.00 0.63 C ATOM 0 H TRP B 24 23.257 37.460 11.600 1.00 0.22 H new ATOM 0 HA TRP B 24 22.240 34.719 11.734 1.00 0.24 H new ATOM 0 HB2 TRP B 24 20.869 36.543 10.782 1.00 0.28 H new ATOM 0 HB3 TRP B 24 22.134 36.959 9.643 1.00 0.28 H new ATOM 0 HD1 TRP B 24 22.149 35.725 7.389 1.00 1.45 H new ATOM 0 HE1 TRP B 24 20.830 33.775 6.324 1.00 1.68 H new ATOM 0 HE3 TRP B 24 19.618 34.120 11.525 1.00 0.96 H new ATOM 0 HZ2 TRP B 24 18.926 31.791 7.190 1.00 0.85 H new ATOM 0 HZ3 TRP B 24 18.061 32.196 11.377 1.00 1.15 H new ATOM 0 HH2 TRP B 24 17.712 31.032 9.215 1.00 0.63 H new ATOM 1704 N GLU B 25 24.948 35.257 10.105 1.00 0.21 N ATOM 1705 CA GLU B 25 25.968 34.577 9.247 1.00 0.24 C ATOM 1706 C GLU B 25 26.576 33.368 9.980 1.00 0.21 C ATOM 1707 O GLU B 25 27.239 32.549 9.375 1.00 0.24 O ATOM 1708 CB GLU B 25 27.078 35.577 8.869 1.00 0.31 C ATOM 1709 CG GLU B 25 27.257 36.603 9.992 1.00 1.20 C ATOM 1710 CD GLU B 25 28.617 37.292 9.853 1.00 1.43 C ATOM 1711 OE1 GLU B 25 29.186 37.225 8.776 1.00 1.99 O ATOM 1712 OE2 GLU B 25 29.067 37.875 10.826 1.00 1.86 O ATOM 0 H GLU B 25 25.258 36.117 10.557 1.00 0.21 H new ATOM 0 HA GLU B 25 25.479 34.219 8.341 1.00 0.24 H new ATOM 0 HB2 GLU B 25 28.014 35.047 8.696 1.00 0.31 H new ATOM 0 HB3 GLU B 25 26.822 36.084 7.938 1.00 0.31 H new ATOM 0 HG2 GLU B 25 26.458 37.343 9.951 1.00 1.20 H new ATOM 0 HG3 GLU B 25 27.186 36.110 10.962 1.00 1.20 H new ATOM 1719 N LEU B 26 26.375 33.245 11.269 1.00 0.16 N ATOM 1720 CA LEU B 26 26.968 32.082 12.009 1.00 0.15 C ATOM 1721 C LEU B 26 25.961 30.936 12.116 1.00 0.15 C ATOM 1722 O LEU B 26 26.012 30.147 13.036 1.00 0.19 O ATOM 1723 CB LEU B 26 27.369 32.517 13.417 1.00 0.13 C ATOM 1724 CG LEU B 26 28.169 33.822 13.363 1.00 0.13 C ATOM 1725 CD1 LEU B 26 28.801 34.070 14.732 1.00 0.14 C ATOM 1726 CD2 LEU B 26 29.275 33.724 12.304 1.00 0.14 C ATOM 0 H LEU B 26 25.831 33.893 11.839 1.00 0.16 H new ATOM 0 HA LEU B 26 27.843 31.739 11.457 1.00 0.15 H new ATOM 0 HB2 LEU B 26 26.478 32.654 14.030 1.00 0.13 H new ATOM 0 HB3 LEU B 26 27.965 31.737 13.890 1.00 0.13 H new ATOM 0 HG LEU B 26 27.502 34.643 13.100 1.00 0.13 H new ATOM 0 HD11 LEU B 26 29.374 34.997 14.706 1.00 0.14 H new ATOM 0 HD12 LEU B 26 28.017 34.149 15.486 1.00 0.14 H new ATOM 0 HD13 LEU B 26 29.463 33.241 14.982 1.00 0.14 H new ATOM 0 HD21 LEU B 26 29.836 34.658 12.276 1.00 0.14 H new ATOM 0 HD22 LEU B 26 29.948 32.904 12.555 1.00 0.14 H new ATOM 0 HD23 LEU B 26 28.828 33.540 11.327 1.00 0.14 H new ATOM 1738 N MET B 27 25.057 30.818 11.185 1.00 0.15 N ATOM 1739 CA MET B 27 24.081 29.704 11.260 1.00 0.17 C ATOM 1740 C MET B 27 24.774 28.348 10.949 1.00 0.14 C ATOM 1741 O MET B 27 24.444 27.361 11.575 1.00 0.19 O ATOM 1742 CB MET B 27 22.910 29.966 10.285 1.00 0.20 C ATOM 1743 CG MET B 27 21.814 30.774 10.990 1.00 0.39 C ATOM 1744 SD MET B 27 20.910 29.697 12.126 1.00 1.31 S ATOM 1745 CE MET B 27 19.711 29.073 10.925 1.00 0.45 C ATOM 0 H MET B 27 24.954 31.440 10.383 1.00 0.15 H new ATOM 0 HA MET B 27 23.683 29.649 12.273 1.00 0.17 H new ATOM 0 HB2 MET B 27 23.268 30.509 9.410 1.00 0.20 H new ATOM 0 HB3 MET B 27 22.504 29.020 9.928 1.00 0.20 H new ATOM 0 HG2 MET B 27 22.256 31.608 11.536 1.00 0.39 H new ATOM 0 HG3 MET B 27 21.131 31.200 10.255 1.00 0.39 H new ATOM 0 HE1 MET B 27 18.759 29.586 11.061 1.00 0.45 H new ATOM 0 HE2 MET B 27 20.080 29.254 9.915 1.00 0.45 H new ATOM 0 HE3 MET B 27 19.570 28.002 11.074 1.00 0.45 H new ATOM 1755 N PRO B 28 25.714 28.309 10.008 1.00 0.09 N ATOM 1756 CA PRO B 28 26.411 27.044 9.674 1.00 0.09 C ATOM 1757 C PRO B 28 27.129 26.472 10.908 1.00 0.09 C ATOM 1758 O PRO B 28 27.324 25.279 11.019 1.00 0.14 O ATOM 1759 CB PRO B 28 27.413 27.432 8.562 1.00 0.10 C ATOM 1760 CG PRO B 28 27.022 28.855 8.088 1.00 0.12 C ATOM 1761 CD PRO B 28 26.155 29.470 9.200 1.00 0.12 C ATOM 0 HA PRO B 28 25.724 26.264 9.345 1.00 0.09 H new ATOM 0 HB2 PRO B 28 28.435 27.417 8.940 1.00 0.10 H new ATOM 0 HB3 PRO B 28 27.368 26.723 7.736 1.00 0.10 H new ATOM 0 HG2 PRO B 28 27.910 29.461 7.910 1.00 0.12 H new ATOM 0 HG3 PRO B 28 26.472 28.812 7.148 1.00 0.12 H new ATOM 0 HD2 PRO B 28 26.724 30.179 9.801 1.00 0.12 H new ATOM 0 HD3 PRO B 28 25.305 30.012 8.787 1.00 0.12 H new ATOM 1769 N LEU B 29 27.519 27.302 11.835 1.00 0.10 N ATOM 1770 CA LEU B 29 28.210 26.777 13.048 1.00 0.09 C ATOM 1771 C LEU B 29 27.156 26.233 14.011 1.00 0.10 C ATOM 1772 O LEU B 29 27.304 25.162 14.567 1.00 0.16 O ATOM 1773 CB LEU B 29 29.008 27.896 13.717 1.00 0.08 C ATOM 1774 CG LEU B 29 29.837 28.626 12.658 1.00 0.09 C ATOM 1775 CD1 LEU B 29 30.707 29.688 13.335 1.00 0.12 C ATOM 1776 CD2 LEU B 29 30.728 27.616 11.915 1.00 0.09 C ATOM 0 H LEU B 29 27.391 28.314 11.807 1.00 0.10 H new ATOM 0 HA LEU B 29 28.900 25.981 12.769 1.00 0.09 H new ATOM 0 HB2 LEU B 29 28.333 28.594 14.212 1.00 0.08 H new ATOM 0 HB3 LEU B 29 29.661 27.483 14.486 1.00 0.08 H new ATOM 0 HG LEU B 29 29.172 29.109 11.943 1.00 0.09 H new ATOM 0 HD11 LEU B 29 31.298 30.209 12.581 1.00 0.12 H new ATOM 0 HD12 LEU B 29 30.070 30.404 13.854 1.00 0.12 H new ATOM 0 HD13 LEU B 29 31.374 29.209 14.052 1.00 0.12 H new ATOM 0 HD21 LEU B 29 31.318 28.137 11.161 1.00 0.09 H new ATOM 0 HD22 LEU B 29 31.396 27.129 12.625 1.00 0.09 H new ATOM 0 HD23 LEU B 29 30.102 26.866 11.432 1.00 0.09 H new ATOM 1788 N MET B 30 26.080 26.947 14.192 1.00 0.10 N ATOM 1789 CA MET B 30 25.008 26.452 15.092 1.00 0.12 C ATOM 1790 C MET B 30 24.439 25.174 14.480 1.00 0.10 C ATOM 1791 O MET B 30 23.782 24.387 15.133 1.00 0.13 O ATOM 1792 CB MET B 30 23.902 27.506 15.192 1.00 0.16 C ATOM 1793 CG MET B 30 24.333 28.617 16.149 1.00 0.19 C ATOM 1794 SD MET B 30 25.915 29.307 15.599 1.00 1.23 S ATOM 1795 CE MET B 30 26.691 29.458 17.226 1.00 0.22 C ATOM 0 H MET B 30 25.899 27.851 13.755 1.00 0.10 H new ATOM 0 HA MET B 30 25.403 26.256 16.089 1.00 0.12 H new ATOM 0 HB2 MET B 30 23.693 27.923 14.207 1.00 0.16 H new ATOM 0 HB3 MET B 30 22.979 27.046 15.546 1.00 0.16 H new ATOM 0 HG2 MET B 30 23.574 29.399 16.181 1.00 0.19 H new ATOM 0 HG3 MET B 30 24.428 28.224 17.161 1.00 0.19 H new ATOM 0 HE1 MET B 30 27.576 30.090 17.150 1.00 0.22 H new ATOM 0 HE2 MET B 30 25.985 29.905 17.926 1.00 0.22 H new ATOM 0 HE3 MET B 30 26.981 28.470 17.584 1.00 0.22 H new ATOM 1805 N TYR B 31 24.690 24.976 13.214 1.00 0.08 N ATOM 1806 CA TYR B 31 24.176 23.766 12.518 1.00 0.08 C ATOM 1807 C TYR B 31 25.035 22.549 12.885 1.00 0.08 C ATOM 1808 O TYR B 31 24.526 21.506 13.246 1.00 0.09 O ATOM 1809 CB TYR B 31 24.231 24.005 11.004 1.00 0.09 C ATOM 1810 CG TYR B 31 23.906 22.731 10.262 1.00 0.09 C ATOM 1811 CD1 TYR B 31 22.577 22.422 9.953 1.00 0.10 C ATOM 1812 CD2 TYR B 31 24.936 21.865 9.877 1.00 0.10 C ATOM 1813 CE1 TYR B 31 22.277 21.243 9.259 1.00 0.11 C ATOM 1814 CE2 TYR B 31 24.638 20.688 9.183 1.00 0.11 C ATOM 1815 CZ TYR B 31 23.307 20.376 8.874 1.00 0.11 C ATOM 1816 OH TYR B 31 23.012 19.215 8.190 1.00 0.13 O ATOM 0 H TYR B 31 25.235 25.609 12.628 1.00 0.08 H new ATOM 0 HA TYR B 31 23.148 23.574 12.824 1.00 0.08 H new ATOM 0 HB2 TYR B 31 23.524 24.787 10.726 1.00 0.09 H new ATOM 0 HB3 TYR B 31 25.223 24.357 10.720 1.00 0.09 H new ATOM 0 HD1 TYR B 31 21.783 23.092 10.249 1.00 0.10 H new ATOM 0 HD2 TYR B 31 25.961 22.106 10.116 1.00 0.10 H new ATOM 0 HE1 TYR B 31 21.251 21.003 9.021 1.00 0.11 H new ATOM 0 HE2 TYR B 31 25.433 20.020 8.885 1.00 0.11 H new ATOM 0 HH TYR B 31 23.841 18.729 7.998 1.00 0.13 H new ATOM 1826 N VAL B 32 26.332 22.670 12.792 1.00 0.08 N ATOM 1827 CA VAL B 32 27.217 21.517 13.130 1.00 0.08 C ATOM 1828 C VAL B 32 27.116 21.209 14.628 1.00 0.08 C ATOM 1829 O VAL B 32 26.892 20.084 15.023 1.00 0.10 O ATOM 1830 CB VAL B 32 28.665 21.860 12.769 1.00 0.08 C ATOM 1831 CG1 VAL B 32 29.573 20.671 13.105 1.00 0.08 C ATOM 1832 CG2 VAL B 32 28.757 22.173 11.269 1.00 0.08 C ATOM 0 H VAL B 32 26.817 23.517 12.497 1.00 0.08 H new ATOM 0 HA VAL B 32 26.901 20.641 12.563 1.00 0.08 H new ATOM 0 HB VAL B 32 28.986 22.731 13.341 1.00 0.08 H new ATOM 0 HG11 VAL B 32 30.603 20.916 12.848 1.00 0.08 H new ATOM 0 HG12 VAL B 32 29.507 20.453 14.171 1.00 0.08 H new ATOM 0 HG13 VAL B 32 29.255 19.798 12.536 1.00 0.08 H new ATOM 0 HG21 VAL B 32 29.787 22.417 11.011 1.00 0.08 H new ATOM 0 HG22 VAL B 32 28.436 21.304 10.696 1.00 0.08 H new ATOM 0 HG23 VAL B 32 28.113 23.021 11.034 1.00 0.08 H new ATOM 1842 N ILE B 33 27.282 22.196 15.467 1.00 0.08 N ATOM 1843 CA ILE B 33 27.195 21.949 16.935 1.00 0.08 C ATOM 1844 C ILE B 33 25.955 21.086 17.246 1.00 0.09 C ATOM 1845 O ILE B 33 26.057 20.054 17.878 1.00 0.10 O ATOM 1846 CB ILE B 33 27.131 23.303 17.654 1.00 0.08 C ATOM 1847 CG1 ILE B 33 28.507 23.974 17.559 1.00 0.09 C ATOM 1848 CG2 ILE B 33 26.771 23.104 19.124 1.00 0.09 C ATOM 1849 CD1 ILE B 33 28.433 25.427 18.044 1.00 0.08 C ATOM 0 H ILE B 33 27.474 23.161 15.200 1.00 0.08 H new ATOM 0 HA ILE B 33 28.072 21.405 17.285 1.00 0.08 H new ATOM 0 HB ILE B 33 26.369 23.926 17.185 1.00 0.08 H new ATOM 0 HG12 ILE B 33 29.230 23.421 18.159 1.00 0.09 H new ATOM 0 HG13 ILE B 33 28.861 23.946 16.528 1.00 0.09 H new ATOM 0 HG21 ILE B 33 26.729 24.072 19.623 1.00 0.09 H new ATOM 0 HG22 ILE B 33 25.799 22.615 19.198 1.00 0.09 H new ATOM 0 HG23 ILE B 33 27.527 22.482 19.603 1.00 0.09 H new ATOM 0 HD11 ILE B 33 29.419 25.886 17.969 1.00 0.08 H new ATOM 0 HD12 ILE B 33 27.727 25.981 17.426 1.00 0.08 H new ATOM 0 HD13 ILE B 33 28.101 25.448 19.082 1.00 0.08 H new ATOM 1861 N LEU B 34 24.792 21.482 16.788 1.00 0.08 N ATOM 1862 CA LEU B 34 23.561 20.664 17.038 1.00 0.09 C ATOM 1863 C LEU B 34 23.727 19.288 16.354 1.00 0.12 C ATOM 1864 O LEU B 34 23.128 18.313 16.758 1.00 0.16 O ATOM 1865 CB LEU B 34 22.340 21.419 16.426 1.00 0.10 C ATOM 1866 CG LEU B 34 21.412 22.146 17.472 1.00 0.10 C ATOM 1867 CD1 LEU B 34 22.090 22.418 18.826 1.00 0.10 C ATOM 1868 CD2 LEU B 34 20.951 23.486 16.882 1.00 0.11 C ATOM 0 H LEU B 34 24.641 22.336 16.252 1.00 0.08 H new ATOM 0 HA LEU B 34 23.405 20.515 18.107 1.00 0.09 H new ATOM 0 HB2 LEU B 34 22.709 22.158 15.715 1.00 0.10 H new ATOM 0 HB3 LEU B 34 21.738 20.707 15.862 1.00 0.10 H new ATOM 0 HG LEU B 34 20.577 21.472 17.664 1.00 0.10 H new ATOM 0 HD11 LEU B 34 21.387 22.920 19.491 1.00 0.10 H new ATOM 0 HD12 LEU B 34 22.401 21.474 19.273 1.00 0.10 H new ATOM 0 HD13 LEU B 34 22.963 23.053 18.675 1.00 0.10 H new ATOM 0 HD21 LEU B 34 20.308 23.997 17.599 1.00 0.11 H new ATOM 0 HD22 LEU B 34 21.820 24.107 16.667 1.00 0.11 H new ATOM 0 HD23 LEU B 34 20.397 23.306 15.961 1.00 0.11 H new ATOM 1880 N LYS B 35 24.523 19.201 15.323 1.00 0.13 N ATOM 1881 CA LYS B 35 24.698 17.888 14.629 1.00 0.17 C ATOM 1882 C LYS B 35 25.323 16.860 15.575 1.00 0.19 C ATOM 1883 O LYS B 35 24.932 15.709 15.593 1.00 0.28 O ATOM 1884 CB LYS B 35 25.599 18.065 13.402 1.00 0.16 C ATOM 1885 CG LYS B 35 25.474 16.835 12.481 1.00 0.19 C ATOM 1886 CD LYS B 35 24.295 17.008 11.514 1.00 0.26 C ATOM 1887 CE LYS B 35 24.256 15.827 10.543 1.00 0.70 C ATOM 1888 NZ LYS B 35 23.924 14.581 11.291 1.00 1.58 N ATOM 0 H LYS B 35 25.058 19.976 14.931 1.00 0.13 H new ATOM 0 HA LYS B 35 23.718 17.529 14.315 1.00 0.17 H new ATOM 0 HB2 LYS B 35 25.317 18.967 12.859 1.00 0.16 H new ATOM 0 HB3 LYS B 35 26.635 18.192 13.716 1.00 0.16 H new ATOM 0 HG2 LYS B 35 26.397 16.699 11.918 1.00 0.19 H new ATOM 0 HG3 LYS B 35 25.331 15.936 13.081 1.00 0.19 H new ATOM 0 HD2 LYS B 35 23.360 17.066 12.071 1.00 0.26 H new ATOM 0 HD3 LYS B 35 24.397 17.943 10.963 1.00 0.26 H new ATOM 0 HE2 LYS B 35 23.514 16.006 9.765 1.00 0.70 H new ATOM 0 HE3 LYS B 35 25.220 15.719 10.045 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 23.632 13.841 10.621 1.00 1.58 H new ATOM 0 HZ2 LYS B 35 24.760 14.260 11.819 1.00 1.58 H new ATOM 0 HZ3 LYS B 35 23.147 14.772 11.956 1.00 1.58 H new ATOM 1902 N ASP B 36 26.294 17.249 16.354 1.00 0.23 N ATOM 1903 CA ASP B 36 26.939 16.273 17.282 1.00 0.28 C ATOM 1904 C ASP B 36 26.173 16.211 18.605 1.00 0.26 C ATOM 1905 O ASP B 36 26.081 15.173 19.229 1.00 0.39 O ATOM 1906 CB ASP B 36 28.379 16.702 17.550 1.00 0.34 C ATOM 1907 CG ASP B 36 29.066 17.035 16.224 1.00 1.23 C ATOM 1908 OD1 ASP B 36 28.847 18.126 15.723 1.00 1.92 O ATOM 1909 OD2 ASP B 36 29.799 16.193 15.732 1.00 1.96 O ATOM 0 H ASP B 36 26.669 18.197 16.390 1.00 0.23 H new ATOM 0 HA ASP B 36 26.927 15.286 16.820 1.00 0.28 H new ATOM 0 HB2 ASP B 36 28.395 17.571 18.208 1.00 0.34 H new ATOM 0 HB3 ASP B 36 28.918 15.905 18.061 1.00 0.34 H new ATOM 1914 N ALA B 37 25.632 17.312 19.045 1.00 0.21 N ATOM 1915 CA ALA B 37 24.887 17.308 20.334 1.00 0.21 C ATOM 1916 C ALA B 37 23.507 16.695 20.134 1.00 0.20 C ATOM 1917 O ALA B 37 22.554 17.071 20.787 1.00 0.24 O ATOM 1918 CB ALA B 37 24.721 18.743 20.818 1.00 0.22 C ATOM 0 H ALA B 37 25.673 18.213 18.569 1.00 0.21 H new ATOM 0 HA ALA B 37 25.442 16.723 21.067 1.00 0.21 H new ATOM 0 HB1 ALA B 37 24.176 18.748 21.762 1.00 0.22 H new ATOM 0 HB2 ALA B 37 25.703 19.194 20.963 1.00 0.22 H new ATOM 0 HB3 ALA B 37 24.165 19.315 20.075 1.00 0.22 H new ATOM 1924 N ASP B 38 23.376 15.765 19.234 1.00 0.20 N ATOM 1925 CA ASP B 38 22.040 15.161 19.008 1.00 0.21 C ATOM 1926 C ASP B 38 21.049 16.293 18.736 1.00 0.18 C ATOM 1927 O ASP B 38 19.851 16.143 18.869 1.00 0.21 O ATOM 1928 CB ASP B 38 21.621 14.381 20.263 1.00 0.28 C ATOM 1929 CG ASP B 38 20.591 13.311 19.893 1.00 1.00 C ATOM 1930 OD1 ASP B 38 19.464 13.677 19.602 1.00 1.59 O ATOM 1931 OD2 ASP B 38 20.946 12.144 19.908 1.00 1.86 O ATOM 0 H ASP B 38 24.129 15.400 18.651 1.00 0.20 H new ATOM 0 HA ASP B 38 22.062 14.476 18.160 1.00 0.21 H new ATOM 0 HB2 ASP B 38 22.494 13.915 20.720 1.00 0.28 H new ATOM 0 HB3 ASP B 38 21.200 15.063 21.002 1.00 0.28 H new ATOM 1936 N ALA B 39 21.565 17.430 18.367 1.00 0.14 N ATOM 1937 CA ALA B 39 20.706 18.606 18.089 1.00 0.14 C ATOM 1938 C ALA B 39 19.960 19.006 19.362 1.00 0.15 C ATOM 1939 O ALA B 39 19.060 19.822 19.336 1.00 0.18 O ATOM 1940 CB ALA B 39 19.710 18.273 16.982 1.00 0.16 C ATOM 0 H ALA B 39 22.564 17.594 18.245 1.00 0.14 H new ATOM 0 HA ALA B 39 21.329 19.438 17.762 1.00 0.14 H new ATOM 0 HB1 ALA B 39 19.083 19.142 16.784 1.00 0.16 H new ATOM 0 HB2 ALA B 39 20.251 18.001 16.075 1.00 0.16 H new ATOM 0 HB3 ALA B 39 19.084 17.437 17.295 1.00 0.16 H new ATOM 1946 N ASN B 40 20.334 18.445 20.480 1.00 0.15 N ATOM 1947 CA ASN B 40 19.654 18.801 21.757 1.00 0.18 C ATOM 1948 C ASN B 40 20.248 20.112 22.277 1.00 0.15 C ATOM 1949 O ASN B 40 21.298 20.130 22.888 1.00 0.15 O ATOM 1950 CB ASN B 40 19.874 17.672 22.782 1.00 0.23 C ATOM 1951 CG ASN B 40 18.674 17.576 23.732 1.00 0.91 C ATOM 1952 OD1 ASN B 40 17.965 16.589 23.736 1.00 1.90 O ATOM 1953 ND2 ASN B 40 18.416 18.566 24.541 1.00 1.32 N ATOM 0 H ASN B 40 21.081 17.756 20.564 1.00 0.15 H new ATOM 0 HA ASN B 40 18.583 18.926 21.596 1.00 0.18 H new ATOM 0 HB2 ASN B 40 20.014 16.723 22.264 1.00 0.23 H new ATOM 0 HB3 ASN B 40 20.784 17.861 23.352 1.00 0.23 H new ATOM 0 HD21 ASN B 40 17.620 18.511 25.176 1.00 1.32 H new ATOM 0 HD22 ASN B 40 19.010 19.395 24.538 1.00 1.32 H new ATOM 1960 N ILE B 41 19.591 21.210 22.029 1.00 0.15 N ATOM 1961 CA ILE B 41 20.125 22.518 22.497 1.00 0.15 C ATOM 1962 C ILE B 41 20.567 22.410 23.961 1.00 0.15 C ATOM 1963 O ILE B 41 21.644 22.841 24.324 1.00 0.14 O ATOM 1964 CB ILE B 41 19.042 23.592 22.334 1.00 0.19 C ATOM 1965 CG1 ILE B 41 18.891 23.892 20.832 1.00 0.21 C ATOM 1966 CG2 ILE B 41 19.441 24.868 23.110 1.00 0.21 C ATOM 1967 CD1 ILE B 41 17.749 24.882 20.598 1.00 0.24 C ATOM 0 H ILE B 41 18.707 21.258 21.522 1.00 0.15 H new ATOM 0 HA ILE B 41 20.993 22.797 21.900 1.00 0.15 H new ATOM 0 HB ILE B 41 18.092 23.241 22.737 1.00 0.19 H new ATOM 0 HG12 ILE B 41 19.822 24.302 20.441 1.00 0.21 H new ATOM 0 HG13 ILE B 41 18.697 22.968 20.288 1.00 0.21 H new ATOM 0 HG21 ILE B 41 18.666 25.625 22.988 1.00 0.21 H new ATOM 0 HG22 ILE B 41 19.553 24.630 24.168 1.00 0.21 H new ATOM 0 HG23 ILE B 41 20.385 25.250 22.722 1.00 0.21 H new ATOM 0 HD11 ILE B 41 17.655 25.084 19.531 1.00 0.24 H new ATOM 0 HD12 ILE B 41 16.817 24.457 20.970 1.00 0.24 H new ATOM 0 HD13 ILE B 41 17.960 25.812 21.126 1.00 0.24 H new ATOM 1979 N GLU B 42 19.756 21.837 24.802 1.00 0.17 N ATOM 1980 CA GLU B 42 20.146 21.706 26.230 1.00 0.17 C ATOM 1981 C GLU B 42 21.531 21.065 26.317 1.00 0.16 C ATOM 1982 O GLU B 42 22.289 21.339 27.219 1.00 0.18 O ATOM 1983 CB GLU B 42 19.128 20.832 26.966 1.00 0.20 C ATOM 1984 CG GLU B 42 17.770 21.537 26.989 1.00 0.30 C ATOM 1985 CD GLU B 42 16.728 20.618 27.631 1.00 1.03 C ATOM 1986 OE1 GLU B 42 17.107 19.548 28.079 1.00 1.65 O ATOM 1987 OE2 GLU B 42 15.570 20.999 27.663 1.00 1.78 O ATOM 0 H GLU B 42 18.841 21.454 24.563 1.00 0.17 H new ATOM 0 HA GLU B 42 20.170 22.693 26.693 1.00 0.17 H new ATOM 0 HB2 GLU B 42 19.039 19.865 26.472 1.00 0.20 H new ATOM 0 HB3 GLU B 42 19.467 20.640 27.984 1.00 0.20 H new ATOM 0 HG2 GLU B 42 17.842 22.470 27.549 1.00 0.30 H new ATOM 0 HG3 GLU B 42 17.466 21.797 25.975 1.00 0.30 H new ATOM 1994 N GLU B 43 21.867 20.211 25.385 1.00 0.16 N ATOM 1995 CA GLU B 43 23.212 19.556 25.414 1.00 0.16 C ATOM 1996 C GLU B 43 24.226 20.427 24.664 1.00 0.14 C ATOM 1997 O GLU B 43 25.357 20.579 25.080 1.00 0.20 O ATOM 1998 CB GLU B 43 23.130 18.183 24.744 1.00 0.18 C ATOM 1999 CG GLU B 43 24.401 17.388 25.048 1.00 0.30 C ATOM 2000 CD GLU B 43 24.397 16.961 26.518 1.00 1.21 C ATOM 2001 OE1 GLU B 43 23.381 17.149 27.166 1.00 1.89 O ATOM 2002 OE2 GLU B 43 25.411 16.454 26.969 1.00 1.96 O ATOM 0 H GLU B 43 21.269 19.938 24.605 1.00 0.16 H new ATOM 0 HA GLU B 43 23.530 19.437 26.450 1.00 0.16 H new ATOM 0 HB2 GLU B 43 22.255 17.642 25.105 1.00 0.18 H new ATOM 0 HB3 GLU B 43 23.010 18.299 23.667 1.00 0.18 H new ATOM 0 HG2 GLU B 43 24.457 16.511 24.404 1.00 0.30 H new ATOM 0 HG3 GLU B 43 25.281 17.995 24.837 1.00 0.30 H new ATOM 2009 N ALA B 44 23.833 20.990 23.553 1.00 0.12 N ATOM 2010 CA ALA B 44 24.780 21.843 22.772 1.00 0.12 C ATOM 2011 C ALA B 44 25.040 23.157 23.524 1.00 0.12 C ATOM 2012 O ALA B 44 26.155 23.637 23.587 1.00 0.14 O ATOM 2013 CB ALA B 44 24.172 22.147 21.387 1.00 0.13 C ATOM 0 H ALA B 44 22.900 20.898 23.152 1.00 0.12 H new ATOM 0 HA ALA B 44 25.724 21.313 22.646 1.00 0.12 H new ATOM 0 HB1 ALA B 44 24.861 22.769 20.816 1.00 0.13 H new ATOM 0 HB2 ALA B 44 23.998 21.213 20.853 1.00 0.13 H new ATOM 0 HB3 ALA B 44 23.226 22.674 21.513 1.00 0.13 H new ATOM 2019 N SER B 45 24.019 23.747 24.074 1.00 0.12 N ATOM 2020 CA SER B 45 24.202 25.037 24.800 1.00 0.16 C ATOM 2021 C SER B 45 25.273 24.890 25.884 1.00 0.15 C ATOM 2022 O SER B 45 25.879 25.858 26.299 1.00 0.16 O ATOM 2023 CB SER B 45 22.879 25.447 25.446 1.00 0.19 C ATOM 2024 OG SER B 45 23.141 26.295 26.556 1.00 0.82 O ATOM 0 H SER B 45 23.063 23.393 24.054 1.00 0.12 H new ATOM 0 HA SER B 45 24.520 25.800 24.090 1.00 0.16 H new ATOM 0 HB2 SER B 45 22.251 25.963 24.720 1.00 0.19 H new ATOM 0 HB3 SER B 45 22.330 24.563 25.771 1.00 0.19 H new ATOM 0 HG SER B 45 22.294 26.561 26.972 1.00 0.82 H new ATOM 2030 N ARG B 46 25.511 23.696 26.353 1.00 0.17 N ATOM 2031 CA ARG B 46 26.543 23.512 27.415 1.00 0.20 C ATOM 2032 C ARG B 46 27.935 23.548 26.775 1.00 0.17 C ATOM 2033 O ARG B 46 28.876 24.075 27.336 1.00 0.23 O ATOM 2034 CB ARG B 46 26.328 22.164 28.136 1.00 0.24 C ATOM 2035 CG ARG B 46 24.850 21.758 28.082 1.00 0.84 C ATOM 2036 CD ARG B 46 23.954 22.888 28.626 1.00 1.21 C ATOM 2037 NE ARG B 46 24.700 23.692 29.634 1.00 1.63 N ATOM 2038 CZ ARG B 46 24.260 24.872 29.979 1.00 2.08 C ATOM 2039 NH1 ARG B 46 23.178 25.350 29.428 1.00 2.50 N ATOM 2040 NH2 ARG B 46 24.902 25.573 30.873 1.00 2.80 N ATOM 0 H ARG B 46 25.039 22.844 26.050 1.00 0.17 H new ATOM 0 HA ARG B 46 26.457 24.315 28.147 1.00 0.20 H new ATOM 0 HB2 ARG B 46 26.941 21.393 27.669 1.00 0.24 H new ATOM 0 HB3 ARG B 46 26.652 22.244 29.174 1.00 0.24 H new ATOM 0 HG2 ARG B 46 24.569 21.527 27.055 1.00 0.84 H new ATOM 0 HG3 ARG B 46 24.695 20.851 28.667 1.00 0.84 H new ATOM 0 HD2 ARG B 46 23.627 23.529 27.808 1.00 1.21 H new ATOM 0 HD3 ARG B 46 23.057 22.466 29.078 1.00 1.21 H new ATOM 0 HE ARG B 46 25.553 23.322 30.054 1.00 1.63 H new ATOM 0 HH11 ARG B 46 22.677 24.802 28.729 1.00 2.50 H new ATOM 0 HH12 ARG B 46 22.833 26.272 29.697 1.00 2.50 H new ATOM 0 HH21 ARG B 46 25.748 25.199 31.303 1.00 2.80 H new ATOM 0 HH22 ARG B 46 24.558 26.495 31.142 1.00 2.80 H new ATOM 2054 N ARG B 47 28.070 22.990 25.604 1.00 0.13 N ATOM 2055 CA ARG B 47 29.396 22.990 24.925 1.00 0.12 C ATOM 2056 C ARG B 47 29.823 24.430 24.645 1.00 0.11 C ATOM 2057 O ARG B 47 30.839 24.894 25.121 1.00 0.12 O ATOM 2058 CB ARG B 47 29.289 22.229 23.602 1.00 0.15 C ATOM 2059 CG ARG B 47 28.543 20.910 23.821 1.00 0.32 C ATOM 2060 CD ARG B 47 28.535 20.102 22.521 1.00 0.54 C ATOM 2061 NE ARG B 47 28.193 18.686 22.827 1.00 0.95 N ATOM 2062 CZ ARG B 47 27.876 17.866 21.864 1.00 1.20 C ATOM 2063 NH1 ARG B 47 27.855 18.287 20.629 1.00 1.81 N ATOM 2064 NH2 ARG B 47 27.583 16.625 22.137 1.00 1.62 N ATOM 0 H ARG B 47 27.318 22.533 25.087 1.00 0.13 H new ATOM 0 HA ARG B 47 30.133 22.508 25.567 1.00 0.12 H new ATOM 0 HB2 ARG B 47 28.764 22.836 22.864 1.00 0.15 H new ATOM 0 HB3 ARG B 47 30.284 22.033 23.203 1.00 0.15 H new ATOM 0 HG2 ARG B 47 29.023 20.337 24.614 1.00 0.32 H new ATOM 0 HG3 ARG B 47 27.521 21.108 24.144 1.00 0.32 H new ATOM 0 HD2 ARG B 47 27.810 20.521 21.823 1.00 0.54 H new ATOM 0 HD3 ARG B 47 29.511 20.157 22.039 1.00 0.54 H new ATOM 0 HE ARG B 47 28.207 18.356 23.792 1.00 0.95 H new ATOM 0 HH11 ARG B 47 28.087 19.257 20.417 1.00 1.81 H new ATOM 0 HH12 ARG B 47 27.607 17.646 19.876 1.00 1.81 H new ATOM 0 HH21 ARG B 47 27.602 16.297 23.103 1.00 1.62 H new ATOM 0 HH22 ARG B 47 27.335 15.982 21.385 1.00 1.62 H new ATOM 2078 N ILE B 48 29.045 25.140 23.876 1.00 0.10 N ATOM 2079 CA ILE B 48 29.386 26.557 23.557 1.00 0.09 C ATOM 2080 C ILE B 48 29.790 27.283 24.839 1.00 0.10 C ATOM 2081 O ILE B 48 30.877 27.815 24.949 1.00 0.10 O ATOM 2082 CB ILE B 48 28.169 27.233 22.932 1.00 0.10 C ATOM 2083 CG1 ILE B 48 27.645 26.342 21.796 1.00 0.10 C ATOM 2084 CG2 ILE B 48 28.586 28.597 22.381 1.00 0.10 C ATOM 2085 CD1 ILE B 48 26.568 27.077 20.999 1.00 0.10 C ATOM 0 H ILE B 48 28.182 24.799 23.452 1.00 0.10 H new ATOM 0 HA ILE B 48 30.218 26.591 22.854 1.00 0.09 H new ATOM 0 HB ILE B 48 27.384 27.374 23.675 1.00 0.10 H new ATOM 0 HG12 ILE B 48 28.466 26.061 21.137 1.00 0.10 H new ATOM 0 HG13 ILE B 48 27.236 25.419 22.208 1.00 0.10 H new ATOM 0 HG21 ILE B 48 27.722 29.088 21.932 1.00 0.10 H new ATOM 0 HG22 ILE B 48 28.973 29.214 23.192 1.00 0.10 H new ATOM 0 HG23 ILE B 48 29.360 28.463 21.626 1.00 0.10 H new ATOM 0 HD11 ILE B 48 26.206 26.433 20.197 1.00 0.10 H new ATOM 0 HD12 ILE B 48 25.740 27.336 21.659 1.00 0.10 H new ATOM 0 HD13 ILE B 48 26.989 27.987 20.572 1.00 0.10 H new ATOM 2097 N GLU B 49 28.929 27.294 25.816 1.00 0.10 N ATOM 2098 CA GLU B 49 29.266 27.969 27.103 1.00 0.11 C ATOM 2099 C GLU B 49 30.637 27.493 27.569 1.00 0.11 C ATOM 2100 O GLU B 49 31.570 28.262 27.693 1.00 0.12 O ATOM 2101 CB GLU B 49 28.235 27.569 28.152 1.00 0.13 C ATOM 2102 CG GLU B 49 26.939 28.358 27.939 1.00 0.14 C ATOM 2103 CD GLU B 49 27.105 29.780 28.480 1.00 0.16 C ATOM 2104 OE1 GLU B 49 28.220 30.135 28.825 1.00 1.07 O ATOM 2105 OE2 GLU B 49 26.114 30.489 28.541 1.00 1.10 O ATOM 0 H GLU B 49 28.004 26.865 25.781 1.00 0.10 H new ATOM 0 HA GLU B 49 29.269 29.050 26.965 1.00 0.11 H new ATOM 0 HB2 GLU B 49 28.034 26.500 28.088 1.00 0.13 H new ATOM 0 HB3 GLU B 49 28.627 27.760 29.151 1.00 0.13 H new ATOM 0 HG2 GLU B 49 26.691 28.389 26.878 1.00 0.14 H new ATOM 0 HG3 GLU B 49 26.112 27.860 28.445 1.00 0.14 H new ATOM 2112 N GLU B 50 30.767 26.216 27.810 1.00 0.12 N ATOM 2113 CA GLU B 50 32.079 25.673 28.246 1.00 0.12 C ATOM 2114 C GLU B 50 33.119 26.132 27.236 1.00 0.11 C ATOM 2115 O GLU B 50 34.297 26.182 27.509 1.00 0.11 O ATOM 2116 CB GLU B 50 32.023 24.143 28.272 1.00 0.14 C ATOM 2117 CG GLU B 50 33.283 23.594 28.944 1.00 0.17 C ATOM 2118 CD GLU B 50 33.240 23.899 30.443 1.00 1.14 C ATOM 2119 OE1 GLU B 50 32.156 23.876 31.002 1.00 1.97 O ATOM 2120 OE2 GLU B 50 34.293 24.149 31.007 1.00 1.78 O ATOM 0 H GLU B 50 30.019 25.528 27.723 1.00 0.12 H new ATOM 0 HA GLU B 50 32.330 26.026 29.246 1.00 0.12 H new ATOM 0 HB2 GLU B 50 31.137 23.811 28.812 1.00 0.14 H new ATOM 0 HB3 GLU B 50 31.942 23.755 27.257 1.00 0.14 H new ATOM 0 HG2 GLU B 50 33.354 22.518 28.783 1.00 0.17 H new ATOM 0 HG3 GLU B 50 34.170 24.042 28.497 1.00 0.17 H new ATOM 2127 N GLY B 51 32.669 26.485 26.067 1.00 0.10 N ATOM 2128 CA GLY B 51 33.614 26.965 25.016 1.00 0.09 C ATOM 2129 C GLY B 51 33.962 28.425 25.300 1.00 0.09 C ATOM 2130 O GLY B 51 35.113 28.788 25.443 1.00 0.10 O ATOM 0 H GLY B 51 31.687 26.463 25.791 1.00 0.10 H new ATOM 0 HA2 GLY B 51 34.517 26.355 25.013 1.00 0.09 H new ATOM 0 HA3 GLY B 51 33.162 26.870 24.029 1.00 0.09 H new ATOM 2134 N GLN B 52 32.966 29.263 25.401 1.00 0.10 N ATOM 2135 CA GLN B 52 33.215 30.703 25.700 1.00 0.11 C ATOM 2136 C GLN B 52 34.156 30.795 26.892 1.00 0.11 C ATOM 2137 O GLN B 52 35.113 31.544 26.894 1.00 0.13 O ATOM 2138 CB GLN B 52 31.884 31.375 26.040 1.00 0.13 C ATOM 2139 CG GLN B 52 30.915 31.184 24.870 1.00 0.19 C ATOM 2140 CD GLN B 52 31.342 32.074 23.706 1.00 0.54 C ATOM 2141 OE1 GLN B 52 32.162 32.956 23.869 1.00 1.37 O ATOM 2142 NE2 GLN B 52 30.817 31.880 22.529 1.00 0.74 N ATOM 0 H GLN B 52 31.984 29.010 25.289 1.00 0.10 H new ATOM 0 HA GLN B 52 33.662 31.200 24.839 1.00 0.11 H new ATOM 0 HB2 GLN B 52 31.466 30.943 26.949 1.00 0.13 H new ATOM 0 HB3 GLN B 52 32.037 32.437 26.233 1.00 0.13 H new ATOM 0 HG2 GLN B 52 30.905 30.139 24.559 1.00 0.19 H new ATOM 0 HG3 GLN B 52 29.900 31.434 25.180 1.00 0.19 H new ATOM 0 HE21 GLN B 52 30.129 31.139 22.393 1.00 0.74 H new ATOM 0 HE22 GLN B 52 31.094 32.469 21.744 1.00 0.74 H new ATOM 2151 N TYR B 53 33.893 30.022 27.900 1.00 0.11 N ATOM 2152 CA TYR B 53 34.775 30.039 29.098 1.00 0.13 C ATOM 2153 C TYR B 53 36.197 29.627 28.676 1.00 0.13 C ATOM 2154 O TYR B 53 37.168 30.248 29.061 1.00 0.16 O ATOM 2155 CB TYR B 53 34.216 29.073 30.164 1.00 0.14 C ATOM 2156 CG TYR B 53 35.306 28.676 31.139 1.00 0.17 C ATOM 2157 CD1 TYR B 53 36.217 27.685 30.777 1.00 0.17 C ATOM 2158 CD2 TYR B 53 35.411 29.301 32.386 1.00 0.22 C ATOM 2159 CE1 TYR B 53 37.238 27.309 31.650 1.00 0.22 C ATOM 2160 CE2 TYR B 53 36.435 28.928 33.268 1.00 0.26 C ATOM 2161 CZ TYR B 53 37.350 27.932 32.898 1.00 0.25 C ATOM 2162 OH TYR B 53 38.358 27.563 33.766 1.00 0.30 O ATOM 0 H TYR B 53 33.105 29.377 27.949 1.00 0.11 H new ATOM 0 HA TYR B 53 34.810 31.040 29.528 1.00 0.13 H new ATOM 0 HB2 TYR B 53 33.395 29.549 30.700 1.00 0.14 H new ATOM 0 HB3 TYR B 53 33.809 28.184 29.681 1.00 0.14 H new ATOM 0 HD1 TYR B 53 36.132 27.205 29.813 1.00 0.17 H new ATOM 0 HD2 TYR B 53 34.706 30.068 32.668 1.00 0.22 H new ATOM 0 HE1 TYR B 53 37.940 26.540 31.364 1.00 0.22 H new ATOM 0 HE2 TYR B 53 36.519 29.408 34.232 1.00 0.26 H new ATOM 0 HH TYR B 53 38.293 28.094 34.587 1.00 0.30 H new ATOM 2172 N VAL B 54 36.330 28.588 27.890 1.00 0.11 N ATOM 2173 CA VAL B 54 37.697 28.158 27.460 1.00 0.12 C ATOM 2174 C VAL B 54 38.406 29.343 26.807 1.00 0.12 C ATOM 2175 O VAL B 54 39.397 29.842 27.302 1.00 0.13 O ATOM 2176 CB VAL B 54 37.612 27.007 26.438 1.00 0.11 C ATOM 2177 CG1 VAL B 54 39.031 26.683 25.952 1.00 0.13 C ATOM 2178 CG2 VAL B 54 36.977 25.736 27.070 1.00 0.12 C ATOM 0 H VAL B 54 35.560 28.024 27.530 1.00 0.11 H new ATOM 0 HA VAL B 54 38.247 27.813 28.335 1.00 0.12 H new ATOM 0 HB VAL B 54 36.980 27.319 25.606 1.00 0.11 H new ATOM 0 HG11 VAL B 54 38.991 25.870 25.227 1.00 0.13 H new ATOM 0 HG12 VAL B 54 39.465 27.566 25.483 1.00 0.13 H new ATOM 0 HG13 VAL B 54 39.646 26.383 26.800 1.00 0.13 H new ATOM 0 HG21 VAL B 54 36.931 24.943 26.324 1.00 0.12 H new ATOM 0 HG22 VAL B 54 37.584 25.407 27.913 1.00 0.12 H new ATOM 0 HG23 VAL B 54 35.970 25.967 27.417 1.00 0.12 H new ATOM 2188 N VAL B 55 37.901 29.792 25.696 1.00 0.11 N ATOM 2189 CA VAL B 55 38.532 30.940 24.994 1.00 0.11 C ATOM 2190 C VAL B 55 38.724 32.093 25.983 1.00 0.14 C ATOM 2191 O VAL B 55 39.806 32.625 26.134 1.00 0.17 O ATOM 2192 CB VAL B 55 37.621 31.385 23.845 1.00 0.11 C ATOM 2193 CG1 VAL B 55 38.312 32.480 23.033 1.00 0.13 C ATOM 2194 CG2 VAL B 55 37.333 30.184 22.939 1.00 0.10 C ATOM 0 H VAL B 55 37.072 29.410 25.240 1.00 0.11 H new ATOM 0 HA VAL B 55 39.502 30.646 24.594 1.00 0.11 H new ATOM 0 HB VAL B 55 36.687 31.774 24.251 1.00 0.11 H new ATOM 0 HG11 VAL B 55 37.661 32.794 22.217 1.00 0.13 H new ATOM 0 HG12 VAL B 55 38.522 33.333 23.678 1.00 0.13 H new ATOM 0 HG13 VAL B 55 39.246 32.095 22.624 1.00 0.13 H new ATOM 0 HG21 VAL B 55 36.685 30.494 22.119 1.00 0.10 H new ATOM 0 HG22 VAL B 55 38.270 29.800 22.536 1.00 0.10 H new ATOM 0 HG23 VAL B 55 36.839 29.403 23.517 1.00 0.10 H new ATOM 2204 N ASN B 56 37.677 32.481 26.655 1.00 0.16 N ATOM 2205 CA ASN B 56 37.783 33.599 27.636 1.00 0.20 C ATOM 2206 C ASN B 56 38.861 33.281 28.679 1.00 0.22 C ATOM 2207 O ASN B 56 39.557 34.158 29.152 1.00 0.31 O ATOM 2208 CB ASN B 56 36.438 33.785 28.342 1.00 0.26 C ATOM 2209 CG ASN B 56 35.433 34.417 27.378 1.00 0.52 C ATOM 2210 OD1 ASN B 56 35.704 35.442 26.784 1.00 1.35 O ATOM 2211 ND2 ASN B 56 34.273 33.846 27.198 1.00 0.91 N ATOM 0 H ASN B 56 36.747 32.071 26.567 1.00 0.16 H new ATOM 0 HA ASN B 56 38.053 34.513 27.107 1.00 0.20 H new ATOM 0 HB2 ASN B 56 36.064 32.823 28.693 1.00 0.26 H new ATOM 0 HB3 ASN B 56 36.562 34.418 29.220 1.00 0.26 H new ATOM 0 HD21 ASN B 56 33.594 34.260 26.559 1.00 0.91 H new ATOM 0 HD22 ASN B 56 34.045 32.986 27.696 1.00 0.91 H new