USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=24 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 71:sc= 0.144 USER MOD Set 1.2: B 52 GLN :FLIP amide:sc= -5.93! C(o=-7!,f=-5.8!) USER MOD Set 2.1: A 22 TYR OH : rot -80:sc= -1.95! USER MOD Set 2.2: A 52 GLN : amide:sc= -3.98! C(o=-5.9!,f=-5.6!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 83:sc= -1.26 USER MOD Single : A 14 GLN : amide:sc= -0.373 K(o=-0.37,f=-1.7!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.638) USER MOD Single : A 27 MET CE :methyl 145:sc= 0 (180deg=-0.995) USER MOD Single : A 30 MET CE :methyl 167:sc= -0.0256 (180deg=-0.247) USER MOD Single : A 31 TYR OH : rot 180:sc=-0.00286 USER MOD Single : A 35 LYS NZ :NH3+ -160:sc= -0.0202 (180deg=-0.249) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.213 USER MOD Single : A 56 ASN :FLIP amide:sc= -0.0367 F(o=-1.2,f=-0.037) USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 CYS SG : rot -54:sc= -3.93 USER MOD Single : B 14 GLN : amide:sc= -0.671 X(o=-0.67,f=-0.78) USER MOD Single : B 15 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0137) USER MOD Single : B 19 LYS NZ :NH3+ -162:sc= -0.022 (180deg=-0.294) USER MOD Single : B 27 MET CE :methyl 153:sc= 0 (180deg=-0.628) USER MOD Single : B 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ -151:sc= -0.123 (180deg=-0.722) USER MOD Single : B 40 ASN :FLIP amide:sc= -0.261 F(o=-3,f=-0.26) USER MOD Single : B 45 SER OG : rot -90:sc= -3.33! USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 56 ASN :FLIP amide:sc= -1.32 F(o=-2.8!,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 106 N PHE A 9 44.223 21.052 21.830 1.00 0.27 N ATOM 107 CA PHE A 9 42.798 21.173 21.416 1.00 0.25 C ATOM 108 C PHE A 9 42.544 22.589 20.892 1.00 0.25 C ATOM 109 O PHE A 9 41.928 22.777 19.862 1.00 0.36 O ATOM 110 CB PHE A 9 41.900 20.894 22.627 1.00 0.23 C ATOM 111 CG PHE A 9 40.503 20.566 22.162 1.00 0.19 C ATOM 112 CD1 PHE A 9 40.155 19.242 21.873 1.00 0.19 C ATOM 113 CD2 PHE A 9 39.557 21.586 22.020 1.00 0.20 C ATOM 114 CE1 PHE A 9 38.859 18.939 21.440 1.00 0.19 C ATOM 115 CE2 PHE A 9 38.262 21.281 21.589 1.00 0.21 C ATOM 116 CZ PHE A 9 37.914 19.960 21.298 1.00 0.20 C ATOM 0 HA PHE A 9 42.575 20.454 20.628 1.00 0.25 H new ATOM 0 HB2 PHE A 9 42.304 20.065 23.208 1.00 0.23 H new ATOM 0 HB3 PHE A 9 41.880 21.763 23.284 1.00 0.23 H new ATOM 0 HD1 PHE A 9 40.886 18.455 21.984 1.00 0.19 H new ATOM 0 HD2 PHE A 9 39.826 22.608 22.243 1.00 0.20 H new ATOM 0 HE1 PHE A 9 38.589 17.918 21.216 1.00 0.19 H new ATOM 0 HE2 PHE A 9 37.530 22.068 21.481 1.00 0.21 H new ATOM 0 HZ PHE A 9 36.914 19.727 20.963 1.00 0.20 H new ATOM 126 N LEU A 10 43.022 23.585 21.586 1.00 0.21 N ATOM 127 CA LEU A 10 42.816 24.983 21.117 1.00 0.21 C ATOM 128 C LEU A 10 43.606 25.189 19.824 1.00 0.22 C ATOM 129 O LEU A 10 43.234 25.972 18.973 1.00 0.27 O ATOM 130 CB LEU A 10 43.312 25.967 22.178 1.00 0.24 C ATOM 131 CG LEU A 10 42.641 25.669 23.526 1.00 0.27 C ATOM 132 CD1 LEU A 10 43.368 26.432 24.629 1.00 0.31 C ATOM 133 CD2 LEU A 10 41.171 26.111 23.500 1.00 0.28 C ATOM 0 H LEU A 10 43.546 23.491 22.456 1.00 0.21 H new ATOM 0 HA LEU A 10 41.755 25.157 20.940 1.00 0.21 H new ATOM 0 HB2 LEU A 10 44.395 25.892 22.277 1.00 0.24 H new ATOM 0 HB3 LEU A 10 43.090 26.989 21.870 1.00 0.24 H new ATOM 0 HG LEU A 10 42.689 24.596 23.714 1.00 0.27 H new ATOM 0 HD11 LEU A 10 42.895 26.223 25.588 1.00 0.31 H new ATOM 0 HD12 LEU A 10 44.411 26.117 24.663 1.00 0.31 H new ATOM 0 HD13 LEU A 10 43.318 27.502 24.425 1.00 0.31 H new ATOM 0 HD21 LEU A 10 40.709 25.893 24.463 1.00 0.28 H new ATOM 0 HD22 LEU A 10 41.117 27.182 23.305 1.00 0.28 H new ATOM 0 HD23 LEU A 10 40.643 25.572 22.714 1.00 0.28 H new ATOM 145 N ASP A 11 44.696 24.484 19.670 1.00 0.21 N ATOM 146 CA ASP A 11 45.510 24.631 18.431 1.00 0.23 C ATOM 147 C ASP A 11 44.666 24.215 17.226 1.00 0.20 C ATOM 148 O ASP A 11 44.437 24.990 16.320 1.00 0.29 O ATOM 149 CB ASP A 11 46.753 23.739 18.522 1.00 0.27 C ATOM 150 CG ASP A 11 47.768 24.168 17.461 1.00 1.08 C ATOM 151 OD1 ASP A 11 47.414 24.984 16.626 1.00 1.92 O ATOM 152 OD2 ASP A 11 48.883 23.673 17.501 1.00 1.64 O ATOM 0 H ASP A 11 45.056 23.814 20.349 1.00 0.21 H new ATOM 0 HA ASP A 11 45.823 25.669 18.319 1.00 0.23 H new ATOM 0 HB2 ASP A 11 47.196 23.814 19.515 1.00 0.27 H new ATOM 0 HB3 ASP A 11 46.476 22.695 18.375 1.00 0.27 H new ATOM 157 N TYR A 12 44.197 22.996 17.208 1.00 0.14 N ATOM 158 CA TYR A 12 43.365 22.537 16.061 1.00 0.12 C ATOM 159 C TYR A 12 42.292 23.584 15.763 1.00 0.11 C ATOM 160 O TYR A 12 42.152 24.049 14.650 1.00 0.15 O ATOM 161 CB TYR A 12 42.697 21.202 16.419 1.00 0.12 C ATOM 162 CG TYR A 12 43.746 20.111 16.500 1.00 0.16 C ATOM 163 CD1 TYR A 12 44.484 19.762 15.362 1.00 0.22 C ATOM 164 CD2 TYR A 12 43.981 19.446 17.712 1.00 0.20 C ATOM 165 CE1 TYR A 12 45.454 18.755 15.435 1.00 0.28 C ATOM 166 CE2 TYR A 12 44.950 18.439 17.784 1.00 0.27 C ATOM 167 CZ TYR A 12 45.687 18.093 16.645 1.00 0.30 C ATOM 168 OH TYR A 12 46.642 17.101 16.716 1.00 0.37 O ATOM 0 H TYR A 12 44.354 22.300 17.937 1.00 0.14 H new ATOM 0 HA TYR A 12 43.995 22.403 15.181 1.00 0.12 H new ATOM 0 HB2 TYR A 12 42.175 21.290 17.372 1.00 0.12 H new ATOM 0 HB3 TYR A 12 41.949 20.946 15.669 1.00 0.12 H new ATOM 0 HD1 TYR A 12 44.305 20.271 14.426 1.00 0.22 H new ATOM 0 HD2 TYR A 12 43.413 19.711 18.591 1.00 0.20 H new ATOM 0 HE1 TYR A 12 46.023 18.489 14.556 1.00 0.28 H new ATOM 0 HE2 TYR A 12 45.129 17.928 18.719 1.00 0.27 H new ATOM 0 HH TYR A 12 46.677 16.746 17.629 1.00 0.37 H new ATOM 178 N CYS A 13 41.541 23.960 16.755 1.00 0.12 N ATOM 179 CA CYS A 13 40.479 24.981 16.550 1.00 0.15 C ATOM 180 C CYS A 13 41.049 26.160 15.761 1.00 0.16 C ATOM 181 O CYS A 13 40.437 26.655 14.835 1.00 0.19 O ATOM 182 CB CYS A 13 39.987 25.465 17.912 1.00 0.19 C ATOM 183 SG CYS A 13 39.122 24.116 18.751 1.00 1.38 S ATOM 0 H CYS A 13 41.617 23.602 17.707 1.00 0.12 H new ATOM 0 HA CYS A 13 39.650 24.545 15.993 1.00 0.15 H new ATOM 0 HB2 CYS A 13 40.829 25.803 18.516 1.00 0.19 H new ATOM 0 HB3 CYS A 13 39.320 26.318 17.788 1.00 0.19 H new ATOM 0 HG CYS A 13 39.988 23.341 19.334 1.00 1.38 H new ATOM 189 N GLN A 14 42.219 26.610 16.118 1.00 0.17 N ATOM 190 CA GLN A 14 42.834 27.750 15.389 1.00 0.21 C ATOM 191 C GLN A 14 42.779 27.478 13.884 1.00 0.21 C ATOM 192 O GLN A 14 42.555 28.370 13.091 1.00 0.28 O ATOM 193 CB GLN A 14 44.289 27.898 15.830 1.00 0.25 C ATOM 194 CG GLN A 14 44.832 29.244 15.361 1.00 0.64 C ATOM 195 CD GLN A 14 44.197 30.368 16.182 1.00 0.78 C ATOM 196 OE1 GLN A 14 43.215 30.954 15.773 1.00 1.68 O ATOM 197 NE2 GLN A 14 44.722 30.694 17.331 1.00 1.31 N ATOM 0 H GLN A 14 42.776 26.235 16.886 1.00 0.17 H new ATOM 0 HA GLN A 14 42.290 28.668 15.610 1.00 0.21 H new ATOM 0 HB2 GLN A 14 44.360 27.824 16.915 1.00 0.25 H new ATOM 0 HB3 GLN A 14 44.889 27.088 15.416 1.00 0.25 H new ATOM 0 HG2 GLN A 14 45.916 29.268 15.470 1.00 0.64 H new ATOM 0 HG3 GLN A 14 44.615 29.386 14.302 1.00 0.64 H new ATOM 0 HE21 GLN A 14 45.547 30.201 17.673 1.00 1.31 H new ATOM 0 HE22 GLN A 14 44.308 31.442 17.887 1.00 1.31 H new ATOM 206 N LYS A 15 42.975 26.249 13.485 1.00 0.20 N ATOM 207 CA LYS A 15 42.927 25.927 12.032 1.00 0.22 C ATOM 208 C LYS A 15 41.471 25.967 11.561 1.00 0.19 C ATOM 209 O LYS A 15 41.137 26.632 10.601 1.00 0.22 O ATOM 210 CB LYS A 15 43.522 24.533 11.790 1.00 0.25 C ATOM 211 CG LYS A 15 45.051 24.604 11.928 1.00 0.57 C ATOM 212 CD LYS A 15 45.705 23.272 11.496 1.00 1.16 C ATOM 213 CE LYS A 15 45.815 22.325 12.694 1.00 1.52 C ATOM 214 NZ LYS A 15 46.492 21.066 12.271 1.00 2.24 N ATOM 0 H LYS A 15 43.165 25.458 14.101 1.00 0.20 H new ATOM 0 HA LYS A 15 43.510 26.658 11.472 1.00 0.22 H new ATOM 0 HB2 LYS A 15 43.113 23.821 12.507 1.00 0.25 H new ATOM 0 HB3 LYS A 15 43.251 24.177 10.796 1.00 0.25 H new ATOM 0 HG2 LYS A 15 45.438 25.419 11.317 1.00 0.57 H new ATOM 0 HG3 LYS A 15 45.317 24.826 12.961 1.00 0.57 H new ATOM 0 HD2 LYS A 15 45.113 22.806 10.708 1.00 1.16 H new ATOM 0 HD3 LYS A 15 46.695 23.462 11.081 1.00 1.16 H new ATOM 0 HE2 LYS A 15 46.378 22.801 13.497 1.00 1.52 H new ATOM 0 HE3 LYS A 15 44.823 22.103 13.088 1.00 1.52 H new ATOM 0 HZ1 LYS A 15 46.567 20.422 13.084 1.00 2.24 H new ATOM 0 HZ2 LYS A 15 45.938 20.610 11.518 1.00 2.24 H new ATOM 0 HZ3 LYS A 15 47.444 21.286 11.915 1.00 2.24 H new ATOM 228 N LEU A 16 40.598 25.274 12.240 1.00 0.15 N ATOM 229 CA LEU A 16 39.160 25.287 11.844 1.00 0.13 C ATOM 230 C LEU A 16 38.705 26.747 11.712 1.00 0.13 C ATOM 231 O LEU A 16 37.767 27.062 11.007 1.00 0.17 O ATOM 232 CB LEU A 16 38.340 24.571 12.948 1.00 0.11 C ATOM 233 CG LEU A 16 37.327 23.582 12.342 1.00 0.14 C ATOM 234 CD1 LEU A 16 38.061 22.446 11.598 1.00 0.26 C ATOM 235 CD2 LEU A 16 36.473 23.008 13.478 1.00 0.17 C ATOM 0 H LEU A 16 40.818 24.699 13.053 1.00 0.15 H new ATOM 0 HA LEU A 16 39.012 24.775 10.893 1.00 0.13 H new ATOM 0 HB2 LEU A 16 39.015 24.038 13.617 1.00 0.11 H new ATOM 0 HB3 LEU A 16 37.813 25.311 13.550 1.00 0.11 H new ATOM 0 HG LEU A 16 36.692 24.098 11.622 1.00 0.14 H new ATOM 0 HD11 LEU A 16 37.330 21.756 11.176 1.00 0.26 H new ATOM 0 HD12 LEU A 16 38.667 22.868 10.796 1.00 0.26 H new ATOM 0 HD13 LEU A 16 38.705 21.911 12.296 1.00 0.26 H new ATOM 0 HD21 LEU A 16 35.748 22.304 13.069 1.00 0.17 H new ATOM 0 HD22 LEU A 16 37.116 22.493 14.192 1.00 0.17 H new ATOM 0 HD23 LEU A 16 35.947 23.818 13.983 1.00 0.17 H new ATOM 247 N LEU A 17 39.362 27.628 12.412 1.00 0.12 N ATOM 248 CA LEU A 17 38.987 29.068 12.377 1.00 0.13 C ATOM 249 C LEU A 17 39.620 29.767 11.166 1.00 0.15 C ATOM 250 O LEU A 17 38.935 30.332 10.337 1.00 0.22 O ATOM 251 CB LEU A 17 39.492 29.720 13.672 1.00 0.12 C ATOM 252 CG LEU A 17 38.725 31.027 13.956 1.00 0.12 C ATOM 253 CD1 LEU A 17 37.419 30.723 14.700 1.00 0.12 C ATOM 254 CD2 LEU A 17 39.580 31.950 14.832 1.00 0.13 C ATOM 0 H LEU A 17 40.154 27.408 13.015 1.00 0.12 H new ATOM 0 HA LEU A 17 37.904 29.163 12.292 1.00 0.13 H new ATOM 0 HB2 LEU A 17 39.366 29.030 14.506 1.00 0.12 H new ATOM 0 HB3 LEU A 17 40.559 29.929 13.589 1.00 0.12 H new ATOM 0 HG LEU A 17 38.503 31.511 13.005 1.00 0.12 H new ATOM 0 HD11 LEU A 17 36.886 31.654 14.895 1.00 0.12 H new ATOM 0 HD12 LEU A 17 36.796 30.069 14.089 1.00 0.12 H new ATOM 0 HD13 LEU A 17 37.645 30.230 15.645 1.00 0.12 H new ATOM 0 HD21 LEU A 17 39.034 32.872 15.030 1.00 0.13 H new ATOM 0 HD22 LEU A 17 39.804 31.452 15.775 1.00 0.13 H new ATOM 0 HD23 LEU A 17 40.511 32.183 14.315 1.00 0.13 H new ATOM 266 N GLU A 18 40.919 29.753 11.074 1.00 0.20 N ATOM 267 CA GLU A 18 41.597 30.438 9.937 1.00 0.25 C ATOM 268 C GLU A 18 41.102 29.876 8.597 1.00 0.21 C ATOM 269 O GLU A 18 41.007 30.587 7.616 1.00 0.25 O ATOM 270 CB GLU A 18 43.117 30.247 10.067 1.00 0.32 C ATOM 271 CG GLU A 18 43.534 28.857 9.557 1.00 1.41 C ATOM 272 CD GLU A 18 44.883 28.461 10.165 1.00 2.13 C ATOM 273 OE1 GLU A 18 45.034 28.608 11.366 1.00 2.77 O ATOM 274 OE2 GLU A 18 45.739 28.017 9.419 1.00 2.62 O ATOM 0 H GLU A 18 41.543 29.296 11.738 1.00 0.20 H new ATOM 0 HA GLU A 18 41.360 31.502 9.966 1.00 0.25 H new ATOM 0 HB2 GLU A 18 43.636 31.019 9.499 1.00 0.32 H new ATOM 0 HB3 GLU A 18 43.416 30.363 11.109 1.00 0.32 H new ATOM 0 HG2 GLU A 18 42.776 28.120 9.822 1.00 1.41 H new ATOM 0 HG3 GLU A 18 43.604 28.865 8.469 1.00 1.41 H new ATOM 281 N LYS A 19 40.796 28.610 8.543 1.00 0.20 N ATOM 282 CA LYS A 19 40.324 28.016 7.271 1.00 0.20 C ATOM 283 C LYS A 19 38.992 28.655 6.870 1.00 0.18 C ATOM 284 O LYS A 19 38.831 29.131 5.764 1.00 0.24 O ATOM 285 CB LYS A 19 40.148 26.509 7.478 1.00 0.22 C ATOM 286 CG LYS A 19 41.499 25.801 7.329 1.00 0.30 C ATOM 287 CD LYS A 19 41.351 24.332 7.726 1.00 0.37 C ATOM 288 CE LYS A 19 42.714 23.642 7.659 1.00 0.92 C ATOM 289 NZ LYS A 19 42.536 22.173 7.830 1.00 1.77 N ATOM 0 H LYS A 19 40.854 27.963 9.329 1.00 0.20 H new ATOM 0 HA LYS A 19 41.048 28.196 6.476 1.00 0.20 H new ATOM 0 HB2 LYS A 19 39.733 26.315 8.467 1.00 0.22 H new ATOM 0 HB3 LYS A 19 39.438 26.114 6.751 1.00 0.22 H new ATOM 0 HG2 LYS A 19 41.850 25.877 6.300 1.00 0.30 H new ATOM 0 HG3 LYS A 19 42.247 26.285 7.957 1.00 0.30 H new ATOM 0 HD2 LYS A 19 40.943 24.257 8.734 1.00 0.37 H new ATOM 0 HD3 LYS A 19 40.647 23.834 7.059 1.00 0.37 H new ATOM 0 HE2 LYS A 19 43.193 23.852 6.703 1.00 0.92 H new ATOM 0 HE3 LYS A 19 43.370 24.033 8.437 1.00 0.92 H new ATOM 0 HZ1 LYS A 19 43.300 21.798 8.428 1.00 1.77 H new ATOM 0 HZ2 LYS A 19 41.618 21.985 8.282 1.00 1.77 H new ATOM 0 HZ3 LYS A 19 42.565 21.709 6.900 1.00 1.77 H new ATOM 303 N PHE A 20 38.042 28.678 7.760 1.00 0.16 N ATOM 304 CA PHE A 20 36.731 29.294 7.432 1.00 0.16 C ATOM 305 C PHE A 20 36.834 30.805 7.642 1.00 0.19 C ATOM 306 O PHE A 20 35.853 31.521 7.607 1.00 0.30 O ATOM 307 CB PHE A 20 35.668 28.706 8.356 1.00 0.14 C ATOM 308 CG PHE A 20 35.344 27.297 7.915 1.00 0.13 C ATOM 309 CD1 PHE A 20 36.241 26.263 8.205 1.00 0.13 C ATOM 310 CD2 PHE A 20 34.157 27.019 7.216 1.00 0.13 C ATOM 311 CE1 PHE A 20 35.958 24.954 7.801 1.00 0.12 C ATOM 312 CE2 PHE A 20 33.877 25.709 6.812 1.00 0.13 C ATOM 313 CZ PHE A 20 34.777 24.678 7.105 1.00 0.12 C ATOM 0 H PHE A 20 38.118 28.296 8.702 1.00 0.16 H new ATOM 0 HA PHE A 20 36.458 29.092 6.396 1.00 0.16 H new ATOM 0 HB2 PHE A 20 36.026 28.703 9.385 1.00 0.14 H new ATOM 0 HB3 PHE A 20 34.769 29.322 8.333 1.00 0.14 H new ATOM 0 HD1 PHE A 20 37.154 26.476 8.742 1.00 0.13 H new ATOM 0 HD2 PHE A 20 33.462 27.815 6.991 1.00 0.13 H new ATOM 0 HE1 PHE A 20 36.651 24.157 8.026 1.00 0.12 H new ATOM 0 HE2 PHE A 20 32.966 25.493 6.274 1.00 0.13 H new ATOM 0 HZ PHE A 20 34.559 23.667 6.793 1.00 0.12 H new ATOM 323 N ARG A 21 38.029 31.291 7.849 1.00 0.18 N ATOM 324 CA ARG A 21 38.227 32.756 8.052 1.00 0.21 C ATOM 325 C ARG A 21 37.206 33.304 9.056 1.00 0.18 C ATOM 326 O ARG A 21 36.672 34.381 8.874 1.00 0.19 O ATOM 327 CB ARG A 21 38.053 33.481 6.713 1.00 0.29 C ATOM 328 CG ARG A 21 39.062 32.946 5.683 1.00 0.65 C ATOM 329 CD ARG A 21 40.423 33.630 5.868 1.00 1.12 C ATOM 330 NE ARG A 21 41.334 33.226 4.761 1.00 1.93 N ATOM 331 CZ ARG A 21 42.422 33.908 4.531 1.00 2.67 C ATOM 332 NH1 ARG A 21 42.707 34.949 5.266 1.00 2.95 N ATOM 333 NH2 ARG A 21 43.224 33.552 3.565 1.00 3.64 N ATOM 0 H ARG A 21 38.882 30.732 7.886 1.00 0.18 H new ATOM 0 HA ARG A 21 39.231 32.923 8.443 1.00 0.21 H new ATOM 0 HB2 ARG A 21 37.037 33.340 6.344 1.00 0.29 H new ATOM 0 HB3 ARG A 21 38.196 34.553 6.850 1.00 0.29 H new ATOM 0 HG2 ARG A 21 39.171 31.867 5.796 1.00 0.65 H new ATOM 0 HG3 ARG A 21 38.691 33.125 4.674 1.00 0.65 H new ATOM 0 HD2 ARG A 21 40.300 34.713 5.876 1.00 1.12 H new ATOM 0 HD3 ARG A 21 40.855 33.351 6.829 1.00 1.12 H new ATOM 0 HE ARG A 21 41.107 32.417 4.183 1.00 1.93 H new ATOM 0 HH11 ARG A 21 42.079 35.229 6.020 1.00 2.95 H new ATOM 0 HH12 ARG A 21 43.558 35.483 5.087 1.00 2.95 H new ATOM 0 HH21 ARG A 21 43.000 32.740 2.989 1.00 3.64 H new ATOM 0 HH22 ARG A 21 44.075 34.086 3.386 1.00 3.64 H new ATOM 347 N TYR A 22 36.928 32.591 10.117 1.00 0.15 N ATOM 348 CA TYR A 22 35.943 33.107 11.115 1.00 0.13 C ATOM 349 C TYR A 22 36.667 34.089 12.071 1.00 0.14 C ATOM 350 O TYR A 22 37.846 33.926 12.315 1.00 0.15 O ATOM 351 CB TYR A 22 35.390 31.935 11.948 1.00 0.11 C ATOM 352 CG TYR A 22 34.243 31.218 11.242 1.00 0.11 C ATOM 353 CD1 TYR A 22 33.110 31.923 10.787 1.00 0.12 C ATOM 354 CD2 TYR A 22 34.311 29.828 11.057 1.00 0.11 C ATOM 355 CE1 TYR A 22 32.067 31.236 10.154 1.00 0.13 C ATOM 356 CE2 TYR A 22 33.265 29.148 10.424 1.00 0.12 C ATOM 357 CZ TYR A 22 32.144 29.852 9.972 1.00 0.13 C ATOM 358 OH TYR A 22 31.114 29.179 9.349 1.00 0.15 O ATOM 0 H TYR A 22 37.336 31.682 10.335 1.00 0.15 H new ATOM 0 HA TYR A 22 35.127 33.609 10.595 1.00 0.13 H new ATOM 0 HB2 TYR A 22 36.192 31.224 12.149 1.00 0.11 H new ATOM 0 HB3 TYR A 22 35.045 32.308 12.912 1.00 0.11 H new ATOM 0 HD1 TYR A 22 33.047 32.992 10.927 1.00 0.12 H new ATOM 0 HD2 TYR A 22 35.175 29.281 11.405 1.00 0.11 H new ATOM 0 HE1 TYR A 22 31.200 31.777 9.805 1.00 0.13 H new ATOM 0 HE2 TYR A 22 33.323 28.079 10.284 1.00 0.12 H new ATOM 0 HH TYR A 22 30.387 29.028 9.989 1.00 0.15 H new ATOM 368 N PRO A 23 35.951 35.061 12.617 1.00 0.14 N ATOM 369 CA PRO A 23 36.550 36.017 13.570 1.00 0.16 C ATOM 370 C PRO A 23 37.091 35.265 14.799 1.00 0.16 C ATOM 371 O PRO A 23 36.947 34.065 14.922 1.00 0.15 O ATOM 372 CB PRO A 23 35.398 36.973 13.964 1.00 0.17 C ATOM 373 CG PRO A 23 34.108 36.453 13.269 1.00 0.15 C ATOM 374 CD PRO A 23 34.520 35.294 12.334 1.00 0.14 C ATOM 0 HA PRO A 23 37.390 36.563 13.141 1.00 0.16 H new ATOM 0 HB2 PRO A 23 35.270 36.994 15.046 1.00 0.17 H new ATOM 0 HB3 PRO A 23 35.620 37.993 13.649 1.00 0.17 H new ATOM 0 HG2 PRO A 23 33.385 36.110 14.009 1.00 0.15 H new ATOM 0 HG3 PRO A 23 33.629 37.251 12.702 1.00 0.15 H new ATOM 0 HD2 PRO A 23 33.929 34.400 12.531 1.00 0.14 H new ATOM 0 HD3 PRO A 23 34.363 35.557 11.288 1.00 0.14 H new ATOM 382 N TRP A 24 37.715 35.973 15.699 1.00 0.18 N ATOM 383 CA TRP A 24 38.279 35.327 16.923 1.00 0.19 C ATOM 384 C TRP A 24 37.175 35.075 17.959 1.00 0.19 C ATOM 385 O TRP A 24 37.374 34.361 18.921 1.00 0.21 O ATOM 386 CB TRP A 24 39.339 36.250 17.530 1.00 0.21 C ATOM 387 CG TRP A 24 39.854 35.656 18.801 1.00 0.28 C ATOM 388 CD1 TRP A 24 39.587 36.124 20.042 1.00 0.34 C ATOM 389 CD2 TRP A 24 40.718 34.497 18.978 1.00 0.33 C ATOM 390 NE1 TRP A 24 40.233 35.325 20.969 1.00 0.42 N ATOM 391 CE2 TRP A 24 40.943 34.309 20.362 1.00 0.42 C ATOM 392 CE3 TRP A 24 41.322 33.599 18.080 1.00 0.35 C ATOM 393 CZ2 TRP A 24 41.738 33.267 20.839 1.00 0.50 C ATOM 394 CZ3 TRP A 24 42.124 32.549 18.556 1.00 0.45 C ATOM 395 CH2 TRP A 24 42.331 32.384 19.933 1.00 0.52 C ATOM 0 H TRP A 24 37.861 36.981 15.640 1.00 0.18 H new ATOM 0 HA TRP A 24 38.723 34.371 16.646 1.00 0.19 H new ATOM 0 HB2 TRP A 24 40.158 36.392 16.825 1.00 0.21 H new ATOM 0 HB3 TRP A 24 38.911 37.234 17.724 1.00 0.21 H new ATOM 0 HD1 TRP A 24 38.971 36.981 20.272 1.00 0.34 H new ATOM 0 HE1 TRP A 24 40.190 35.469 21.978 1.00 0.42 H new ATOM 0 HE3 TRP A 24 41.168 33.718 17.018 1.00 0.35 H new ATOM 0 HZ2 TRP A 24 41.894 33.144 21.901 1.00 0.50 H new ATOM 0 HZ3 TRP A 24 42.584 31.865 17.858 1.00 0.45 H new ATOM 0 HH2 TRP A 24 42.949 31.575 20.293 1.00 0.52 H new ATOM 406 N GLU A 25 36.029 35.672 17.791 1.00 0.18 N ATOM 407 CA GLU A 25 34.936 35.480 18.792 1.00 0.21 C ATOM 408 C GLU A 25 34.229 34.131 18.599 1.00 0.17 C ATOM 409 O GLU A 25 33.509 33.681 19.468 1.00 0.20 O ATOM 410 CB GLU A 25 33.913 36.607 18.639 1.00 0.29 C ATOM 411 CG GLU A 25 32.820 36.455 19.700 1.00 1.15 C ATOM 412 CD GLU A 25 32.016 37.753 19.796 1.00 1.55 C ATOM 413 OE1 GLU A 25 31.223 38.002 18.903 1.00 1.97 O ATOM 414 OE2 GLU A 25 32.207 38.475 20.761 1.00 2.18 O ATOM 0 H GLU A 25 35.799 36.283 17.007 1.00 0.18 H new ATOM 0 HA GLU A 25 35.379 35.495 19.788 1.00 0.21 H new ATOM 0 HB2 GLU A 25 34.404 37.574 18.744 1.00 0.29 H new ATOM 0 HB3 GLU A 25 33.473 36.580 17.642 1.00 0.29 H new ATOM 0 HG2 GLU A 25 32.162 35.625 19.442 1.00 1.15 H new ATOM 0 HG3 GLU A 25 33.267 36.219 20.666 1.00 1.15 H new ATOM 421 N LEU A 26 34.404 33.484 17.474 1.00 0.13 N ATOM 422 CA LEU A 26 33.708 32.172 17.251 1.00 0.11 C ATOM 423 C LEU A 26 34.605 31.002 17.656 1.00 0.10 C ATOM 424 O LEU A 26 34.486 29.913 17.131 1.00 0.11 O ATOM 425 CB LEU A 26 33.338 32.027 15.776 1.00 0.10 C ATOM 426 CG LEU A 26 32.719 33.327 15.259 1.00 0.10 C ATOM 427 CD1 LEU A 26 32.092 33.066 13.892 1.00 0.11 C ATOM 428 CD2 LEU A 26 31.636 33.824 16.225 1.00 0.12 C ATOM 0 H LEU A 26 34.993 33.801 16.704 1.00 0.13 H new ATOM 0 HA LEU A 26 32.808 32.157 17.866 1.00 0.11 H new ATOM 0 HB2 LEU A 26 34.225 31.781 15.193 1.00 0.10 H new ATOM 0 HB3 LEU A 26 32.634 31.204 15.649 1.00 0.10 H new ATOM 0 HG LEU A 26 33.496 34.087 15.180 1.00 0.10 H new ATOM 0 HD11 LEU A 26 31.647 33.987 13.514 1.00 0.11 H new ATOM 0 HD12 LEU A 26 32.860 32.723 13.199 1.00 0.11 H new ATOM 0 HD13 LEU A 26 31.320 32.302 13.986 1.00 0.11 H new ATOM 0 HD21 LEU A 26 31.205 34.750 15.843 1.00 0.12 H new ATOM 0 HD22 LEU A 26 30.854 33.070 16.314 1.00 0.12 H new ATOM 0 HD23 LEU A 26 32.078 34.006 17.205 1.00 0.12 H new ATOM 440 N MET A 27 35.490 31.202 18.590 1.00 0.12 N ATOM 441 CA MET A 27 36.365 30.084 19.019 1.00 0.13 C ATOM 442 C MET A 27 35.563 29.042 19.847 1.00 0.11 C ATOM 443 O MET A 27 35.814 27.861 19.708 1.00 0.13 O ATOM 444 CB MET A 27 37.551 30.643 19.839 1.00 0.18 C ATOM 445 CG MET A 27 38.751 30.905 18.922 1.00 0.19 C ATOM 446 SD MET A 27 39.511 29.329 18.458 1.00 1.17 S ATOM 447 CE MET A 27 40.579 29.155 19.908 1.00 0.31 C ATOM 0 H MET A 27 35.643 32.088 19.072 1.00 0.12 H new ATOM 0 HA MET A 27 36.752 29.576 18.136 1.00 0.13 H new ATOM 0 HB2 MET A 27 37.255 31.567 20.336 1.00 0.18 H new ATOM 0 HB3 MET A 27 37.828 29.935 20.620 1.00 0.18 H new ATOM 0 HG2 MET A 27 38.430 31.443 18.030 1.00 0.19 H new ATOM 0 HG3 MET A 27 39.480 31.537 19.430 1.00 0.19 H new ATOM 0 HE1 MET A 27 40.658 28.102 20.178 1.00 0.31 H new ATOM 0 HE2 MET A 27 41.570 29.546 19.679 1.00 0.31 H new ATOM 0 HE3 MET A 27 40.153 29.712 20.742 1.00 0.31 H new ATOM 457 N PRO A 28 34.631 29.474 20.691 1.00 0.10 N ATOM 458 CA PRO A 28 33.845 28.526 21.514 1.00 0.09 C ATOM 459 C PRO A 28 33.101 27.504 20.643 1.00 0.10 C ATOM 460 O PRO A 28 32.834 26.403 21.070 1.00 0.19 O ATOM 461 CB PRO A 28 32.861 29.415 22.305 1.00 0.09 C ATOM 462 CG PRO A 28 33.349 30.876 22.142 1.00 0.11 C ATOM 463 CD PRO A 28 34.281 30.898 20.917 1.00 0.11 C ATOM 0 HA PRO A 28 34.482 27.934 22.172 1.00 0.09 H new ATOM 0 HB2 PRO A 28 31.846 29.302 21.925 1.00 0.09 H new ATOM 0 HB3 PRO A 28 32.841 29.129 23.357 1.00 0.09 H new ATOM 0 HG2 PRO A 28 32.506 31.552 21.999 1.00 0.11 H new ATOM 0 HG3 PRO A 28 33.877 31.210 23.036 1.00 0.11 H new ATOM 0 HD2 PRO A 28 33.783 31.327 20.047 1.00 0.11 H new ATOM 0 HD3 PRO A 28 35.170 31.500 21.105 1.00 0.11 H new ATOM 471 N LEU A 29 32.759 27.847 19.434 1.00 0.11 N ATOM 472 CA LEU A 29 32.037 26.864 18.574 1.00 0.09 C ATOM 473 C LEU A 29 33.055 25.898 17.976 1.00 0.10 C ATOM 474 O LEU A 29 32.930 24.696 18.102 1.00 0.19 O ATOM 475 CB LEU A 29 31.283 27.597 17.462 1.00 0.08 C ATOM 476 CG LEU A 29 30.346 28.648 18.074 1.00 0.08 C ATOM 477 CD1 LEU A 29 29.886 29.612 16.980 1.00 0.09 C ATOM 478 CD2 LEU A 29 29.115 27.966 18.689 1.00 0.08 C ATOM 0 H LEU A 29 32.944 28.754 19.006 1.00 0.11 H new ATOM 0 HA LEU A 29 31.313 26.309 19.170 1.00 0.09 H new ATOM 0 HB2 LEU A 29 31.990 28.077 16.786 1.00 0.08 H new ATOM 0 HB3 LEU A 29 30.708 26.885 16.869 1.00 0.08 H new ATOM 0 HG LEU A 29 30.882 29.191 18.852 1.00 0.08 H new ATOM 0 HD11 LEU A 29 29.220 30.360 17.411 1.00 0.09 H new ATOM 0 HD12 LEU A 29 30.753 30.107 16.543 1.00 0.09 H new ATOM 0 HD13 LEU A 29 29.356 29.057 16.206 1.00 0.09 H new ATOM 0 HD21 LEU A 29 28.458 28.721 19.120 1.00 0.08 H new ATOM 0 HD22 LEU A 29 28.578 27.417 17.915 1.00 0.08 H new ATOM 0 HD23 LEU A 29 29.434 27.275 19.469 1.00 0.08 H new ATOM 490 N MET A 30 34.078 26.406 17.350 1.00 0.10 N ATOM 491 CA MET A 30 35.112 25.504 16.780 1.00 0.12 C ATOM 492 C MET A 30 35.600 24.579 17.896 1.00 0.10 C ATOM 493 O MET A 30 36.134 23.514 17.656 1.00 0.11 O ATOM 494 CB MET A 30 36.284 26.337 16.265 1.00 0.16 C ATOM 495 CG MET A 30 35.799 27.320 15.206 1.00 0.19 C ATOM 496 SD MET A 30 35.360 26.415 13.699 1.00 1.16 S ATOM 497 CE MET A 30 33.718 27.130 13.458 1.00 0.20 C ATOM 0 H MET A 30 34.242 27.403 17.209 1.00 0.10 H new ATOM 0 HA MET A 30 34.698 24.923 15.956 1.00 0.12 H new ATOM 0 HB2 MET A 30 36.747 26.878 17.090 1.00 0.16 H new ATOM 0 HB3 MET A 30 37.048 25.684 15.844 1.00 0.16 H new ATOM 0 HG2 MET A 30 34.935 27.873 15.576 1.00 0.19 H new ATOM 0 HG3 MET A 30 36.577 28.052 14.990 1.00 0.19 H new ATOM 0 HE1 MET A 30 33.357 26.885 12.459 1.00 0.20 H new ATOM 0 HE2 MET A 30 33.032 26.724 14.201 1.00 0.20 H new ATOM 0 HE3 MET A 30 33.773 28.213 13.568 1.00 0.20 H new ATOM 507 N TYR A 31 35.410 24.992 19.120 1.00 0.09 N ATOM 508 CA TYR A 31 35.844 24.167 20.279 1.00 0.09 C ATOM 509 C TYR A 31 34.857 23.013 20.472 1.00 0.09 C ATOM 510 O TYR A 31 35.232 21.910 20.816 1.00 0.10 O ATOM 511 CB TYR A 31 35.871 25.057 21.528 1.00 0.09 C ATOM 512 CG TYR A 31 36.031 24.221 22.775 1.00 0.10 C ATOM 513 CD1 TYR A 31 34.899 23.736 23.440 1.00 0.10 C ATOM 514 CD2 TYR A 31 37.308 23.942 23.271 1.00 0.11 C ATOM 515 CE1 TYR A 31 35.043 22.971 24.602 1.00 0.11 C ATOM 516 CE2 TYR A 31 37.454 23.175 24.431 1.00 0.12 C ATOM 517 CZ TYR A 31 36.322 22.689 25.098 1.00 0.12 C ATOM 518 OH TYR A 31 36.467 21.934 26.244 1.00 0.14 O ATOM 0 H TYR A 31 34.967 25.877 19.367 1.00 0.09 H new ATOM 0 HA TYR A 31 36.838 23.755 20.105 1.00 0.09 H new ATOM 0 HB2 TYR A 31 36.692 25.771 21.455 1.00 0.09 H new ATOM 0 HB3 TYR A 31 34.950 25.636 21.588 1.00 0.09 H new ATOM 0 HD1 TYR A 31 33.913 23.953 23.055 1.00 0.10 H new ATOM 0 HD2 TYR A 31 38.181 24.319 22.759 1.00 0.11 H new ATOM 0 HE1 TYR A 31 34.169 22.598 25.116 1.00 0.11 H new ATOM 0 HE2 TYR A 31 38.440 22.957 24.813 1.00 0.12 H new ATOM 0 HH TYR A 31 37.420 21.831 26.450 1.00 0.14 H new ATOM 528 N VAL A 32 33.597 23.260 20.245 1.00 0.09 N ATOM 529 CA VAL A 32 32.584 22.181 20.405 1.00 0.09 C ATOM 530 C VAL A 32 32.673 21.234 19.210 1.00 0.09 C ATOM 531 O VAL A 32 32.784 20.034 19.356 1.00 0.12 O ATOM 532 CB VAL A 32 31.185 22.801 20.447 1.00 0.09 C ATOM 533 CG1 VAL A 32 30.141 21.694 20.624 1.00 0.09 C ATOM 534 CG2 VAL A 32 31.088 23.803 21.610 1.00 0.12 C ATOM 0 H VAL A 32 33.225 24.164 19.955 1.00 0.09 H new ATOM 0 HA VAL A 32 32.772 21.635 21.329 1.00 0.09 H new ATOM 0 HB VAL A 32 30.997 23.329 19.512 1.00 0.09 H new ATOM 0 HG11 VAL A 32 29.145 22.135 20.654 1.00 0.09 H new ATOM 0 HG12 VAL A 32 30.204 20.997 19.788 1.00 0.09 H new ATOM 0 HG13 VAL A 32 30.330 21.161 21.556 1.00 0.09 H new ATOM 0 HG21 VAL A 32 30.089 24.239 21.632 1.00 0.12 H new ATOM 0 HG22 VAL A 32 31.280 23.288 22.551 1.00 0.12 H new ATOM 0 HG23 VAL A 32 31.826 24.593 21.472 1.00 0.12 H new ATOM 544 N ILE A 33 32.624 21.770 18.025 1.00 0.09 N ATOM 545 CA ILE A 33 32.705 20.922 16.808 1.00 0.09 C ATOM 546 C ILE A 33 33.838 19.891 16.962 1.00 0.10 C ATOM 547 O ILE A 33 33.614 18.700 16.876 1.00 0.11 O ATOM 548 CB ILE A 33 32.942 21.845 15.610 1.00 0.09 C ATOM 549 CG1 ILE A 33 31.761 22.826 15.531 1.00 0.10 C ATOM 550 CG2 ILE A 33 33.031 21.024 14.324 1.00 0.10 C ATOM 551 CD1 ILE A 33 31.906 23.764 14.329 1.00 0.09 C ATOM 0 H ILE A 33 32.530 22.770 17.847 1.00 0.09 H new ATOM 0 HA ILE A 33 31.781 20.365 16.657 1.00 0.09 H new ATOM 0 HB ILE A 33 33.879 22.389 15.729 1.00 0.09 H new ATOM 0 HG12 ILE A 33 30.827 22.270 15.452 1.00 0.10 H new ATOM 0 HG13 ILE A 33 31.708 23.411 16.449 1.00 0.10 H new ATOM 0 HG21 ILE A 33 33.200 21.690 13.478 1.00 0.10 H new ATOM 0 HG22 ILE A 33 33.857 20.317 14.400 1.00 0.10 H new ATOM 0 HG23 ILE A 33 32.099 20.478 14.176 1.00 0.10 H new ATOM 0 HD11 ILE A 33 31.058 24.448 14.296 1.00 0.09 H new ATOM 0 HD12 ILE A 33 32.829 24.336 14.423 1.00 0.09 H new ATOM 0 HD13 ILE A 33 31.935 23.177 13.411 1.00 0.09 H new ATOM 563 N LEU A 34 35.043 20.332 17.206 1.00 0.10 N ATOM 564 CA LEU A 34 36.176 19.371 17.384 1.00 0.11 C ATOM 565 C LEU A 34 35.877 18.453 18.586 1.00 0.13 C ATOM 566 O LEU A 34 36.318 17.323 18.632 1.00 0.20 O ATOM 567 CB LEU A 34 37.473 20.192 17.642 1.00 0.09 C ATOM 568 CG LEU A 34 38.428 20.313 16.397 1.00 0.09 C ATOM 569 CD1 LEU A 34 37.723 20.077 15.045 1.00 0.10 C ATOM 570 CD2 LEU A 34 39.051 21.716 16.387 1.00 0.10 C ATOM 0 H LEU A 34 35.294 21.317 17.290 1.00 0.10 H new ATOM 0 HA LEU A 34 36.303 18.753 16.495 1.00 0.11 H new ATOM 0 HB2 LEU A 34 37.195 21.194 17.969 1.00 0.09 H new ATOM 0 HB3 LEU A 34 38.023 19.730 18.462 1.00 0.09 H new ATOM 0 HG LEU A 34 39.180 19.531 16.502 1.00 0.09 H new ATOM 0 HD11 LEU A 34 38.446 20.177 14.235 1.00 0.10 H new ATOM 0 HD12 LEU A 34 37.295 19.075 15.028 1.00 0.10 H new ATOM 0 HD13 LEU A 34 36.929 20.812 14.915 1.00 0.10 H new ATOM 0 HD21 LEU A 34 39.716 21.813 15.528 1.00 0.10 H new ATOM 0 HD22 LEU A 34 38.261 22.464 16.321 1.00 0.10 H new ATOM 0 HD23 LEU A 34 39.619 21.868 17.305 1.00 0.10 H new ATOM 582 N LYS A 35 35.140 18.920 19.555 1.00 0.12 N ATOM 583 CA LYS A 35 34.839 18.053 20.733 1.00 0.15 C ATOM 584 C LYS A 35 34.026 16.835 20.287 1.00 0.21 C ATOM 585 O LYS A 35 34.184 15.749 20.807 1.00 0.29 O ATOM 586 CB LYS A 35 34.036 18.844 21.769 1.00 0.13 C ATOM 587 CG LYS A 35 34.011 18.071 23.091 1.00 0.17 C ATOM 588 CD LYS A 35 33.088 18.780 24.088 1.00 0.26 C ATOM 589 CE LYS A 35 32.730 17.822 25.226 1.00 0.80 C ATOM 590 NZ LYS A 35 31.734 16.825 24.740 1.00 1.49 N ATOM 0 H LYS A 35 34.735 19.856 19.585 1.00 0.12 H new ATOM 0 HA LYS A 35 35.778 17.721 21.177 1.00 0.15 H new ATOM 0 HB2 LYS A 35 34.482 19.827 21.918 1.00 0.13 H new ATOM 0 HB3 LYS A 35 33.019 19.007 21.411 1.00 0.13 H new ATOM 0 HG2 LYS A 35 33.664 17.052 22.921 1.00 0.17 H new ATOM 0 HG3 LYS A 35 35.019 18.000 23.501 1.00 0.17 H new ATOM 0 HD2 LYS A 35 33.580 19.667 24.487 1.00 0.26 H new ATOM 0 HD3 LYS A 35 32.182 19.117 23.584 1.00 0.26 H new ATOM 0 HE2 LYS A 35 33.625 17.313 25.583 1.00 0.80 H new ATOM 0 HE3 LYS A 35 32.322 18.379 26.070 1.00 0.80 H new ATOM 0 HZ1 LYS A 35 31.241 16.402 25.552 1.00 1.49 H new ATOM 0 HZ2 LYS A 35 31.043 17.297 24.123 1.00 1.49 H new ATOM 0 HZ3 LYS A 35 32.222 16.079 24.205 1.00 1.49 H new ATOM 604 N ASP A 36 33.151 17.007 19.334 1.00 0.24 N ATOM 605 CA ASP A 36 32.321 15.859 18.863 1.00 0.32 C ATOM 606 C ASP A 36 33.055 15.090 17.765 1.00 0.26 C ATOM 607 O ASP A 36 33.013 13.877 17.709 1.00 0.36 O ATOM 608 CB ASP A 36 31.004 16.387 18.303 1.00 0.42 C ATOM 609 CG ASP A 36 30.283 17.206 19.376 1.00 0.84 C ATOM 610 OD1 ASP A 36 30.170 16.719 20.488 1.00 1.56 O ATOM 611 OD2 ASP A 36 29.858 18.306 19.067 1.00 1.42 O ATOM 0 H ASP A 36 32.974 17.893 18.860 1.00 0.24 H new ATOM 0 HA ASP A 36 32.132 15.191 19.703 1.00 0.32 H new ATOM 0 HB2 ASP A 36 31.192 17.004 17.425 1.00 0.42 H new ATOM 0 HB3 ASP A 36 30.375 15.557 17.981 1.00 0.42 H new ATOM 616 N ALA A 37 33.711 15.786 16.882 1.00 0.18 N ATOM 617 CA ALA A 37 34.428 15.099 15.774 1.00 0.17 C ATOM 618 C ALA A 37 35.731 14.496 16.284 1.00 0.16 C ATOM 619 O ALA A 37 36.723 14.471 15.584 1.00 0.21 O ATOM 620 CB ALA A 37 34.754 16.120 14.691 1.00 0.19 C ATOM 0 H ALA A 37 33.782 16.804 16.879 1.00 0.18 H new ATOM 0 HA ALA A 37 33.795 14.306 15.377 1.00 0.17 H new ATOM 0 HB1 ALA A 37 35.280 15.628 13.873 1.00 0.19 H new ATOM 0 HB2 ALA A 37 33.830 16.560 14.316 1.00 0.19 H new ATOM 0 HB3 ALA A 37 35.386 16.904 15.109 1.00 0.19 H new ATOM 626 N ASP A 38 35.754 14.018 17.492 1.00 0.18 N ATOM 627 CA ASP A 38 37.017 13.435 18.011 1.00 0.20 C ATOM 628 C ASP A 38 38.131 14.466 17.823 1.00 0.18 C ATOM 629 O ASP A 38 39.304 14.160 17.890 1.00 0.22 O ATOM 630 CB ASP A 38 37.341 12.160 17.221 1.00 0.25 C ATOM 631 CG ASP A 38 38.275 11.263 18.038 1.00 1.00 C ATOM 632 OD1 ASP A 38 39.446 11.592 18.133 1.00 1.82 O ATOM 633 OD2 ASP A 38 37.803 10.264 18.554 1.00 1.65 O ATOM 0 H ASP A 38 34.963 14.005 18.136 1.00 0.18 H new ATOM 0 HA ASP A 38 36.922 13.183 19.067 1.00 0.20 H new ATOM 0 HB2 ASP A 38 36.421 11.624 16.986 1.00 0.25 H new ATOM 0 HB3 ASP A 38 37.810 12.419 16.272 1.00 0.25 H new ATOM 638 N ALA A 39 37.749 15.688 17.575 1.00 0.14 N ATOM 639 CA ALA A 39 38.739 16.771 17.361 1.00 0.14 C ATOM 640 C ALA A 39 39.479 16.533 16.045 1.00 0.14 C ATOM 641 O ALA A 39 40.442 17.204 15.731 1.00 0.16 O ATOM 642 CB ALA A 39 39.727 16.810 18.526 1.00 0.16 C ATOM 0 H ALA A 39 36.775 15.983 17.511 1.00 0.14 H new ATOM 0 HA ALA A 39 38.223 17.730 17.310 1.00 0.14 H new ATOM 0 HB1 ALA A 39 40.451 17.608 18.362 1.00 0.16 H new ATOM 0 HB2 ALA A 39 39.187 16.995 19.455 1.00 0.16 H new ATOM 0 HB3 ALA A 39 40.248 15.855 18.593 1.00 0.16 H new ATOM 648 N ASN A 40 39.028 15.589 15.268 1.00 0.14 N ATOM 649 CA ASN A 40 39.697 15.317 13.967 1.00 0.16 C ATOM 650 C ASN A 40 39.253 16.393 12.973 1.00 0.14 C ATOM 651 O ASN A 40 38.182 16.323 12.404 1.00 0.15 O ATOM 652 CB ASN A 40 39.293 13.909 13.464 1.00 0.20 C ATOM 653 CG ASN A 40 40.460 12.928 13.631 1.00 0.78 C ATOM 654 OD1 ASN A 40 40.453 12.100 14.521 1.00 1.77 O ATOM 655 ND2 ASN A 40 41.468 12.991 12.804 1.00 1.19 N ATOM 0 H ASN A 40 38.226 14.995 15.478 1.00 0.14 H new ATOM 0 HA ASN A 40 40.781 15.342 14.075 1.00 0.16 H new ATOM 0 HB2 ASN A 40 38.426 13.552 14.020 1.00 0.20 H new ATOM 0 HB3 ASN A 40 39.000 13.960 12.415 1.00 0.20 H new ATOM 0 HD21 ASN A 40 42.251 12.345 12.904 1.00 1.19 H new ATOM 0 HD22 ASN A 40 41.473 13.686 12.058 1.00 1.19 H new ATOM 662 N ILE A 41 40.066 17.391 12.770 1.00 0.13 N ATOM 663 CA ILE A 41 39.691 18.477 11.825 1.00 0.12 C ATOM 664 C ILE A 41 39.157 17.866 10.526 1.00 0.13 C ATOM 665 O ILE A 41 38.166 18.314 9.984 1.00 0.14 O ATOM 666 CB ILE A 41 40.917 19.354 11.555 1.00 0.13 C ATOM 667 CG1 ILE A 41 41.202 20.176 12.827 1.00 0.13 C ATOM 668 CG2 ILE A 41 40.633 20.273 10.354 1.00 0.15 C ATOM 669 CD1 ILE A 41 42.388 21.117 12.611 1.00 0.16 C ATOM 0 H ILE A 41 40.975 17.501 13.219 1.00 0.13 H new ATOM 0 HA ILE A 41 38.906 19.097 12.259 1.00 0.12 H new ATOM 0 HB ILE A 41 41.789 18.746 11.314 1.00 0.13 H new ATOM 0 HG12 ILE A 41 40.318 20.754 13.098 1.00 0.13 H new ATOM 0 HG13 ILE A 41 41.411 19.505 13.660 1.00 0.13 H new ATOM 0 HG21 ILE A 41 41.505 20.898 10.160 1.00 0.15 H new ATOM 0 HG22 ILE A 41 40.419 19.666 9.474 1.00 0.15 H new ATOM 0 HG23 ILE A 41 39.774 20.907 10.576 1.00 0.15 H new ATOM 0 HD11 ILE A 41 42.571 21.687 13.522 1.00 0.16 H new ATOM 0 HD12 ILE A 41 43.275 20.534 12.364 1.00 0.16 H new ATOM 0 HD13 ILE A 41 42.165 21.802 11.793 1.00 0.16 H new ATOM 681 N GLU A 42 39.789 16.842 10.031 1.00 0.15 N ATOM 682 CA GLU A 42 39.295 16.206 8.786 1.00 0.16 C ATOM 683 C GLU A 42 37.881 15.691 9.039 1.00 0.16 C ATOM 684 O GLU A 42 37.039 15.713 8.170 1.00 0.19 O ATOM 685 CB GLU A 42 40.208 15.039 8.405 1.00 0.19 C ATOM 686 CG GLU A 42 41.567 15.576 7.953 1.00 0.26 C ATOM 687 CD GLU A 42 42.535 14.409 7.749 1.00 1.04 C ATOM 688 OE1 GLU A 42 42.488 13.481 8.539 1.00 1.80 O ATOM 689 OE2 GLU A 42 43.308 14.464 6.807 1.00 1.67 O ATOM 0 H GLU A 42 40.625 16.420 10.435 1.00 0.15 H new ATOM 0 HA GLU A 42 39.291 16.930 7.971 1.00 0.16 H new ATOM 0 HB2 GLU A 42 40.335 14.371 9.257 1.00 0.19 H new ATOM 0 HB3 GLU A 42 39.753 14.454 7.606 1.00 0.19 H new ATOM 0 HG2 GLU A 42 41.458 16.138 7.025 1.00 0.26 H new ATOM 0 HG3 GLU A 42 41.964 16.265 8.698 1.00 0.26 H new ATOM 696 N GLU A 43 37.617 15.234 10.233 1.00 0.15 N ATOM 697 CA GLU A 43 36.256 14.720 10.555 1.00 0.16 C ATOM 698 C GLU A 43 35.321 15.901 10.835 1.00 0.15 C ATOM 699 O GLU A 43 34.137 15.838 10.572 1.00 0.21 O ATOM 700 CB GLU A 43 36.337 13.812 11.788 1.00 0.18 C ATOM 701 CG GLU A 43 34.959 13.212 12.096 1.00 0.33 C ATOM 702 CD GLU A 43 34.522 12.308 10.942 1.00 1.21 C ATOM 703 OE1 GLU A 43 34.982 11.179 10.893 1.00 1.95 O ATOM 704 OE2 GLU A 43 33.734 12.760 10.127 1.00 1.84 O ATOM 0 H GLU A 43 38.287 15.195 11.001 1.00 0.15 H new ATOM 0 HA GLU A 43 35.867 14.148 9.713 1.00 0.16 H new ATOM 0 HB2 GLU A 43 37.059 13.014 11.614 1.00 0.18 H new ATOM 0 HB3 GLU A 43 36.693 14.382 12.646 1.00 0.18 H new ATOM 0 HG2 GLU A 43 34.999 12.641 13.023 1.00 0.33 H new ATOM 0 HG3 GLU A 43 34.229 14.008 12.244 1.00 0.33 H new ATOM 711 N ALA A 44 35.840 16.979 11.365 1.00 0.13 N ATOM 712 CA ALA A 44 34.975 18.162 11.657 1.00 0.14 C ATOM 713 C ALA A 44 34.810 19.000 10.384 1.00 0.16 C ATOM 714 O ALA A 44 33.710 19.271 9.944 1.00 0.20 O ATOM 715 CB ALA A 44 35.623 19.015 12.761 1.00 0.14 C ATOM 0 H ALA A 44 36.824 17.091 11.608 1.00 0.13 H new ATOM 0 HA ALA A 44 33.996 17.822 11.995 1.00 0.14 H new ATOM 0 HB1 ALA A 44 34.991 19.877 12.973 1.00 0.14 H new ATOM 0 HB2 ALA A 44 35.735 18.416 13.665 1.00 0.14 H new ATOM 0 HB3 ALA A 44 36.603 19.357 12.429 1.00 0.14 H new ATOM 721 N SER A 45 35.897 19.418 9.799 1.00 0.16 N ATOM 722 CA SER A 45 35.815 20.247 8.561 1.00 0.21 C ATOM 723 C SER A 45 34.811 19.626 7.587 1.00 0.20 C ATOM 724 O SER A 45 34.260 20.296 6.737 1.00 0.32 O ATOM 725 CB SER A 45 37.191 20.315 7.904 1.00 0.26 C ATOM 726 OG SER A 45 37.051 20.764 6.562 1.00 1.01 O ATOM 0 H SER A 45 36.843 19.221 10.125 1.00 0.16 H new ATOM 0 HA SER A 45 35.485 21.253 8.821 1.00 0.21 H new ATOM 0 HB2 SER A 45 37.839 20.992 8.460 1.00 0.26 H new ATOM 0 HB3 SER A 45 37.665 19.333 7.923 1.00 0.26 H new ATOM 0 HG SER A 45 37.934 20.810 6.139 1.00 1.01 H new ATOM 732 N ARG A 46 34.570 18.349 7.703 1.00 0.18 N ATOM 733 CA ARG A 46 33.603 17.687 6.784 1.00 0.20 C ATOM 734 C ARG A 46 32.172 18.005 7.229 1.00 0.16 C ATOM 735 O ARG A 46 31.239 17.916 6.457 1.00 0.22 O ATOM 736 CB ARG A 46 33.836 16.175 6.812 1.00 0.23 C ATOM 737 CG ARG A 46 35.133 15.849 6.051 1.00 0.85 C ATOM 738 CD ARG A 46 35.625 14.431 6.390 1.00 1.14 C ATOM 739 NE ARG A 46 34.922 13.443 5.524 1.00 1.59 N ATOM 740 CZ ARG A 46 35.382 12.226 5.416 1.00 2.17 C ATOM 741 NH1 ARG A 46 36.451 11.871 6.074 1.00 2.66 N ATOM 742 NH2 ARG A 46 34.769 11.363 4.652 1.00 2.87 N ATOM 0 H ARG A 46 35.001 17.736 8.395 1.00 0.18 H new ATOM 0 HA ARG A 46 33.748 18.056 5.769 1.00 0.20 H new ATOM 0 HB2 ARG A 46 33.907 15.825 7.842 1.00 0.23 H new ATOM 0 HB3 ARG A 46 32.993 15.656 6.356 1.00 0.23 H new ATOM 0 HG2 ARG A 46 34.961 15.932 4.978 1.00 0.85 H new ATOM 0 HG3 ARG A 46 35.903 16.577 6.307 1.00 0.85 H new ATOM 0 HD2 ARG A 46 36.702 14.362 6.239 1.00 1.14 H new ATOM 0 HD3 ARG A 46 35.436 14.210 7.440 1.00 1.14 H new ATOM 0 HE ARG A 46 34.081 13.718 5.016 1.00 1.59 H new ATOM 0 HH11 ARG A 46 36.928 12.544 6.673 1.00 2.66 H new ATOM 0 HH12 ARG A 46 36.810 10.920 5.989 1.00 2.66 H new ATOM 0 HH21 ARG A 46 33.931 11.640 4.140 1.00 2.87 H new ATOM 0 HH22 ARG A 46 35.128 10.412 4.567 1.00 2.87 H new ATOM 756 N ARG A 47 31.993 18.384 8.468 1.00 0.13 N ATOM 757 CA ARG A 47 30.622 18.717 8.958 1.00 0.13 C ATOM 758 C ARG A 47 30.307 20.172 8.612 1.00 0.11 C ATOM 759 O ARG A 47 29.324 20.473 7.964 1.00 0.13 O ATOM 760 CB ARG A 47 30.559 18.537 10.477 1.00 0.18 C ATOM 761 CG ARG A 47 31.191 17.200 10.865 1.00 0.49 C ATOM 762 CD ARG A 47 31.080 16.999 12.379 1.00 0.62 C ATOM 763 NE ARG A 47 31.299 15.561 12.701 1.00 0.81 N ATOM 764 CZ ARG A 47 31.534 15.195 13.931 1.00 1.20 C ATOM 765 NH1 ARG A 47 31.578 16.088 14.882 1.00 1.99 N ATOM 766 NH2 ARG A 47 31.725 13.935 14.210 1.00 1.63 N ATOM 0 H ARG A 47 32.736 18.477 9.161 1.00 0.13 H new ATOM 0 HA ARG A 47 29.896 18.056 8.484 1.00 0.13 H new ATOM 0 HB2 ARG A 47 31.083 19.355 10.972 1.00 0.18 H new ATOM 0 HB3 ARG A 47 29.523 18.572 10.814 1.00 0.18 H new ATOM 0 HG2 ARG A 47 30.691 16.385 10.342 1.00 0.49 H new ATOM 0 HG3 ARG A 47 32.238 17.179 10.561 1.00 0.49 H new ATOM 0 HD2 ARG A 47 31.817 17.615 12.894 1.00 0.62 H new ATOM 0 HD3 ARG A 47 30.098 17.317 12.729 1.00 0.62 H new ATOM 0 HE ARG A 47 31.265 14.862 11.959 1.00 0.81 H new ATOM 0 HH11 ARG A 47 31.429 17.073 14.664 1.00 1.99 H new ATOM 0 HH12 ARG A 47 31.762 15.801 15.843 1.00 1.99 H new ATOM 0 HH21 ARG A 47 31.691 13.237 13.467 1.00 1.63 H new ATOM 0 HH22 ARG A 47 31.909 13.648 15.171 1.00 1.63 H new ATOM 780 N ILE A 48 31.142 21.074 9.042 1.00 0.10 N ATOM 781 CA ILE A 48 30.914 22.518 8.748 1.00 0.10 C ATOM 782 C ILE A 48 30.594 22.687 7.265 1.00 0.11 C ATOM 783 O ILE A 48 29.544 23.174 6.897 1.00 0.13 O ATOM 784 CB ILE A 48 32.171 23.309 9.105 1.00 0.10 C ATOM 785 CG1 ILE A 48 32.629 22.904 10.509 1.00 0.09 C ATOM 786 CG2 ILE A 48 31.848 24.803 9.084 1.00 0.11 C ATOM 787 CD1 ILE A 48 33.765 23.817 10.972 1.00 0.10 C ATOM 0 H ILE A 48 31.979 20.873 9.589 1.00 0.10 H new ATOM 0 HA ILE A 48 30.077 22.889 9.339 1.00 0.10 H new ATOM 0 HB ILE A 48 32.962 23.099 8.385 1.00 0.10 H new ATOM 0 HG12 ILE A 48 31.793 22.968 11.206 1.00 0.09 H new ATOM 0 HG13 ILE A 48 32.963 21.867 10.506 1.00 0.09 H new ATOM 0 HG21 ILE A 48 32.742 25.372 9.338 1.00 0.11 H new ATOM 0 HG22 ILE A 48 31.508 25.088 8.088 1.00 0.11 H new ATOM 0 HG23 ILE A 48 31.064 25.016 9.810 1.00 0.11 H new ATOM 0 HD11 ILE A 48 34.085 23.522 11.971 1.00 0.10 H new ATOM 0 HD12 ILE A 48 34.605 23.731 10.282 1.00 0.10 H new ATOM 0 HD13 ILE A 48 33.416 24.850 10.993 1.00 0.10 H new ATOM 799 N GLU A 49 31.485 22.274 6.408 1.00 0.11 N ATOM 800 CA GLU A 49 31.223 22.395 4.943 1.00 0.12 C ATOM 801 C GLU A 49 29.828 21.859 4.647 1.00 0.12 C ATOM 802 O GLU A 49 28.956 22.570 4.187 1.00 0.13 O ATOM 803 CB GLU A 49 32.230 21.543 4.181 1.00 0.13 C ATOM 804 CG GLU A 49 33.614 22.196 4.218 1.00 0.15 C ATOM 805 CD GLU A 49 34.517 21.538 3.173 1.00 0.17 C ATOM 806 OE1 GLU A 49 34.667 20.328 3.226 1.00 1.08 O ATOM 807 OE2 GLU A 49 35.043 22.254 2.338 1.00 1.09 O ATOM 0 H GLU A 49 32.383 21.858 6.656 1.00 0.11 H new ATOM 0 HA GLU A 49 31.306 23.439 4.641 1.00 0.12 H new ATOM 0 HB2 GLU A 49 32.279 20.546 4.619 1.00 0.13 H new ATOM 0 HB3 GLU A 49 31.905 21.421 3.148 1.00 0.13 H new ATOM 0 HG2 GLU A 49 33.529 23.264 4.020 1.00 0.15 H new ATOM 0 HG3 GLU A 49 34.051 22.090 5.211 1.00 0.15 H new ATOM 814 N GLU A 50 29.608 20.607 4.935 1.00 0.12 N ATOM 815 CA GLU A 50 28.266 20.018 4.703 1.00 0.13 C ATOM 816 C GLU A 50 27.257 20.897 5.420 1.00 0.12 C ATOM 817 O GLU A 50 26.086 20.904 5.117 1.00 0.12 O ATOM 818 CB GLU A 50 28.219 18.598 5.273 1.00 0.14 C ATOM 819 CG GLU A 50 26.897 17.933 4.883 1.00 0.17 C ATOM 820 CD GLU A 50 26.847 16.520 5.467 1.00 1.15 C ATOM 821 OE1 GLU A 50 27.850 16.090 6.013 1.00 1.74 O ATOM 822 OE2 GLU A 50 25.806 15.893 5.361 1.00 2.03 O ATOM 0 H GLU A 50 30.302 19.968 5.321 1.00 0.12 H new ATOM 0 HA GLU A 50 28.043 19.967 3.637 1.00 0.13 H new ATOM 0 HB2 GLU A 50 29.058 18.015 4.893 1.00 0.14 H new ATOM 0 HB3 GLU A 50 28.317 18.627 6.358 1.00 0.14 H new ATOM 0 HG2 GLU A 50 26.058 18.522 5.254 1.00 0.17 H new ATOM 0 HG3 GLU A 50 26.803 17.893 3.798 1.00 0.17 H new ATOM 829 N GLY A 51 27.727 21.658 6.368 1.00 0.11 N ATOM 830 CA GLY A 51 26.814 22.569 7.119 1.00 0.10 C ATOM 831 C GLY A 51 26.578 23.823 6.278 1.00 0.10 C ATOM 832 O GLY A 51 25.460 24.157 5.940 1.00 0.11 O ATOM 0 H GLY A 51 28.705 21.690 6.657 1.00 0.11 H new ATOM 0 HA2 GLY A 51 25.868 22.069 7.327 1.00 0.10 H new ATOM 0 HA3 GLY A 51 27.252 22.835 8.081 1.00 0.10 H new ATOM 836 N GLN A 52 27.632 24.506 5.917 1.00 0.10 N ATOM 837 CA GLN A 52 27.488 25.727 5.071 1.00 0.12 C ATOM 838 C GLN A 52 26.573 25.395 3.902 1.00 0.12 C ATOM 839 O GLN A 52 25.673 26.138 3.563 1.00 0.13 O ATOM 840 CB GLN A 52 28.866 26.130 4.545 1.00 0.14 C ATOM 841 CG GLN A 52 29.805 26.375 5.728 1.00 0.19 C ATOM 842 CD GLN A 52 29.444 27.700 6.397 1.00 0.42 C ATOM 843 OE1 GLN A 52 28.627 28.445 5.894 1.00 0.95 O ATOM 844 NE2 GLN A 52 30.021 28.028 7.520 1.00 0.39 N ATOM 0 H GLN A 52 28.591 24.270 6.173 1.00 0.10 H new ATOM 0 HA GLN A 52 27.067 26.548 5.651 1.00 0.12 H new ATOM 0 HB2 GLN A 52 29.267 25.345 3.903 1.00 0.14 H new ATOM 0 HB3 GLN A 52 28.787 27.030 3.936 1.00 0.14 H new ATOM 0 HG2 GLN A 52 29.724 25.559 6.446 1.00 0.19 H new ATOM 0 HG3 GLN A 52 30.840 26.398 5.386 1.00 0.19 H new ATOM 0 HE21 GLN A 52 30.707 27.403 7.943 1.00 0.39 H new ATOM 0 HE22 GLN A 52 29.786 28.910 7.976 1.00 0.39 H new ATOM 853 N TYR A 53 26.794 24.268 3.298 1.00 0.12 N ATOM 854 CA TYR A 53 25.934 23.858 2.156 1.00 0.13 C ATOM 855 C TYR A 53 24.480 23.747 2.641 1.00 0.13 C ATOM 856 O TYR A 53 23.573 24.259 2.019 1.00 0.15 O ATOM 857 CB TYR A 53 26.424 22.507 1.595 1.00 0.14 C ATOM 858 CG TYR A 53 25.330 21.861 0.769 1.00 0.15 C ATOM 859 CD1 TYR A 53 24.310 21.159 1.411 1.00 0.16 C ATOM 860 CD2 TYR A 53 25.328 21.979 -0.625 1.00 0.17 C ATOM 861 CE1 TYR A 53 23.283 20.572 0.673 1.00 0.18 C ATOM 862 CE2 TYR A 53 24.297 21.392 -1.373 1.00 0.19 C ATOM 863 CZ TYR A 53 23.273 20.689 -0.723 1.00 0.19 C ATOM 864 OH TYR A 53 22.258 20.110 -1.458 1.00 0.22 O ATOM 0 H TYR A 53 27.533 23.610 3.544 1.00 0.12 H new ATOM 0 HA TYR A 53 25.990 24.601 1.360 1.00 0.13 H new ATOM 0 HB2 TYR A 53 27.312 22.659 0.982 1.00 0.14 H new ATOM 0 HB3 TYR A 53 26.711 21.847 2.413 1.00 0.14 H new ATOM 0 HD1 TYR A 53 24.316 21.069 2.487 1.00 0.16 H new ATOM 0 HD2 TYR A 53 26.118 22.521 -1.124 1.00 0.17 H new ATOM 0 HE1 TYR A 53 22.497 20.028 1.176 1.00 0.18 H new ATOM 0 HE2 TYR A 53 24.292 21.482 -2.449 1.00 0.19 H new ATOM 0 HH TYR A 53 22.402 20.287 -2.411 1.00 0.22 H new ATOM 874 N VAL A 54 24.246 23.082 3.742 1.00 0.15 N ATOM 875 CA VAL A 54 22.843 22.953 4.238 1.00 0.14 C ATOM 876 C VAL A 54 22.224 24.346 4.343 1.00 0.14 C ATOM 877 O VAL A 54 21.256 24.664 3.681 1.00 0.15 O ATOM 878 CB VAL A 54 22.814 22.292 5.628 1.00 0.13 C ATOM 879 CG1 VAL A 54 21.361 22.264 6.120 1.00 0.14 C ATOM 880 CG2 VAL A 54 23.375 20.843 5.576 1.00 0.14 C ATOM 0 H VAL A 54 24.957 22.627 4.314 1.00 0.15 H new ATOM 0 HA VAL A 54 22.281 22.333 3.540 1.00 0.14 H new ATOM 0 HB VAL A 54 23.441 22.868 6.309 1.00 0.13 H new ATOM 0 HG11 VAL A 54 21.319 21.799 7.105 1.00 0.14 H new ATOM 0 HG12 VAL A 54 20.979 23.283 6.184 1.00 0.14 H new ATOM 0 HG13 VAL A 54 20.751 21.691 5.422 1.00 0.14 H new ATOM 0 HG21 VAL A 54 23.341 20.404 6.573 1.00 0.14 H new ATOM 0 HG22 VAL A 54 22.772 20.243 4.894 1.00 0.14 H new ATOM 0 HG23 VAL A 54 24.406 20.865 5.224 1.00 0.14 H new ATOM 890 N VAL A 55 22.780 25.174 5.179 1.00 0.15 N ATOM 891 CA VAL A 55 22.240 26.550 5.348 1.00 0.16 C ATOM 892 C VAL A 55 22.223 27.261 3.993 1.00 0.19 C ATOM 893 O VAL A 55 21.194 27.706 3.527 1.00 0.22 O ATOM 894 CB VAL A 55 23.137 27.320 6.326 1.00 0.19 C ATOM 895 CG1 VAL A 55 22.497 28.669 6.674 1.00 0.29 C ATOM 896 CG2 VAL A 55 23.314 26.494 7.604 1.00 0.13 C ATOM 0 H VAL A 55 23.591 24.955 5.757 1.00 0.15 H new ATOM 0 HA VAL A 55 21.224 26.505 5.740 1.00 0.16 H new ATOM 0 HB VAL A 55 24.107 27.496 5.862 1.00 0.19 H new ATOM 0 HG11 VAL A 55 23.141 29.209 7.369 1.00 0.29 H new ATOM 0 HG12 VAL A 55 22.371 29.257 5.765 1.00 0.29 H new ATOM 0 HG13 VAL A 55 21.524 28.502 7.136 1.00 0.29 H new ATOM 0 HG21 VAL A 55 23.951 27.037 8.303 1.00 0.13 H new ATOM 0 HG22 VAL A 55 22.340 26.319 8.062 1.00 0.13 H new ATOM 0 HG23 VAL A 55 23.777 25.538 7.358 1.00 0.13 H new ATOM 906 N ASN A 56 23.360 27.377 3.365 1.00 0.22 N ATOM 907 CA ASN A 56 23.422 28.069 2.044 1.00 0.27 C ATOM 908 C ASN A 56 22.447 27.417 1.058 1.00 0.26 C ATOM 909 O ASN A 56 21.746 28.091 0.330 1.00 0.33 O ATOM 910 CB ASN A 56 24.845 27.973 1.490 1.00 0.35 C ATOM 911 CG ASN A 56 24.971 28.829 0.231 1.00 0.71 C ATOM 912 OD1 ASN A 56 24.280 29.925 0.142 1.00 1.56 O flip ATOM 913 ND2 ASN A 56 25.704 28.495 -0.678 1.00 0.90 N flip ATOM 0 H ASN A 56 24.252 27.022 3.709 1.00 0.22 H new ATOM 0 HA ASN A 56 23.145 29.115 2.176 1.00 0.27 H new ATOM 0 HB2 ASN A 56 25.560 28.308 2.241 1.00 0.35 H new ATOM 0 HB3 ASN A 56 25.086 26.935 1.260 1.00 0.35 H new ATOM 0 HD21 ASN A 56 26.246 27.634 -0.606 1.00 0.90 H new ATOM 0 HD22 ASN A 56 25.778 29.076 -1.513 1.00 0.90 H new ATOM 920 N GLU A 57 22.404 26.113 1.018 1.00 0.24 N ATOM 921 CA GLU A 57 21.480 25.427 0.068 1.00 0.26 C ATOM 922 C GLU A 57 20.038 25.556 0.561 1.00 0.25 C ATOM 923 O GLU A 57 19.149 25.921 -0.183 1.00 0.32 O ATOM 924 CB GLU A 57 21.854 23.945 -0.025 1.00 0.29 C ATOM 925 CG GLU A 57 21.088 23.293 -1.180 1.00 0.50 C ATOM 926 CD GLU A 57 21.675 23.763 -2.511 1.00 1.58 C ATOM 927 OE1 GLU A 57 22.868 23.594 -2.704 1.00 2.31 O ATOM 928 OE2 GLU A 57 20.921 24.284 -3.317 1.00 2.37 O ATOM 0 H GLU A 57 22.967 25.493 1.600 1.00 0.24 H new ATOM 0 HA GLU A 57 21.567 25.891 -0.915 1.00 0.26 H new ATOM 0 HB2 GLU A 57 22.927 23.840 -0.182 1.00 0.29 H new ATOM 0 HB3 GLU A 57 21.618 23.441 0.912 1.00 0.29 H new ATOM 0 HG2 GLU A 57 21.152 22.207 -1.106 1.00 0.50 H new ATOM 0 HG3 GLU A 57 20.031 23.555 -1.124 1.00 0.50 H new ATOM 1388 N VAL B 8 12.544 21.470 10.467 1.00 0.33 N ATOM 1389 CA VAL B 8 12.559 21.529 11.958 1.00 0.39 C ATOM 1390 C VAL B 8 14.005 21.572 12.459 1.00 0.36 C ATOM 1391 O VAL B 8 14.350 22.352 13.323 1.00 0.48 O ATOM 1392 CB VAL B 8 11.861 20.292 12.525 1.00 0.50 C ATOM 1393 CG1 VAL B 8 11.582 20.501 14.014 1.00 0.98 C ATOM 1394 CG2 VAL B 8 10.540 20.068 11.785 1.00 1.19 C ATOM 0 HA VAL B 8 12.036 22.427 12.288 1.00 0.39 H new ATOM 0 HB VAL B 8 12.503 19.421 12.395 1.00 0.50 H new ATOM 0 HG11 VAL B 8 11.084 19.619 14.418 1.00 0.98 H new ATOM 0 HG12 VAL B 8 12.522 20.661 14.541 1.00 0.98 H new ATOM 0 HG13 VAL B 8 10.940 21.372 14.145 1.00 0.98 H new ATOM 0 HG21 VAL B 8 10.042 19.186 12.189 1.00 1.19 H new ATOM 0 HG22 VAL B 8 9.898 20.939 11.915 1.00 1.19 H new ATOM 0 HG23 VAL B 8 10.738 19.919 10.724 1.00 1.19 H new ATOM 1404 N PHE B 9 14.854 20.741 11.921 1.00 0.28 N ATOM 1405 CA PHE B 9 16.278 20.736 12.365 1.00 0.27 C ATOM 1406 C PHE B 9 16.810 22.169 12.371 1.00 0.25 C ATOM 1407 O PHE B 9 17.432 22.606 13.319 1.00 0.32 O ATOM 1408 CB PHE B 9 17.102 19.880 11.402 1.00 0.26 C ATOM 1409 CG PHE B 9 18.446 19.586 12.016 1.00 0.21 C ATOM 1410 CD1 PHE B 9 19.502 20.484 11.840 1.00 0.23 C ATOM 1411 CD2 PHE B 9 18.635 18.418 12.763 1.00 0.18 C ATOM 1412 CE1 PHE B 9 20.748 20.215 12.411 1.00 0.23 C ATOM 1413 CE2 PHE B 9 19.884 18.151 13.336 1.00 0.18 C ATOM 1414 CZ PHE B 9 20.940 19.052 13.158 1.00 0.20 C ATOM 0 H PHE B 9 14.624 20.065 11.193 1.00 0.28 H new ATOM 0 HA PHE B 9 16.352 20.321 13.370 1.00 0.27 H new ATOM 0 HB2 PHE B 9 16.577 18.949 11.186 1.00 0.26 H new ATOM 0 HB3 PHE B 9 17.230 20.401 10.453 1.00 0.26 H new ATOM 0 HD1 PHE B 9 19.355 21.385 11.263 1.00 0.23 H new ATOM 0 HD2 PHE B 9 17.819 17.724 12.897 1.00 0.18 H new ATOM 0 HE1 PHE B 9 21.565 20.908 12.274 1.00 0.23 H new ATOM 0 HE2 PHE B 9 20.032 17.251 13.914 1.00 0.18 H new ATOM 0 HZ PHE B 9 21.904 18.847 13.599 1.00 0.20 H new ATOM 1424 N LEU B 10 16.563 22.910 11.327 1.00 0.23 N ATOM 1425 CA LEU B 10 17.048 24.317 11.288 1.00 0.23 C ATOM 1426 C LEU B 10 16.301 25.127 12.348 1.00 0.24 C ATOM 1427 O LEU B 10 16.817 26.081 12.894 1.00 0.28 O ATOM 1428 CB LEU B 10 16.785 24.912 9.906 1.00 0.25 C ATOM 1429 CG LEU B 10 17.344 23.979 8.828 1.00 0.24 C ATOM 1430 CD1 LEU B 10 17.007 24.547 7.450 1.00 0.30 C ATOM 1431 CD2 LEU B 10 18.869 23.863 8.975 1.00 0.23 C ATOM 0 H LEU B 10 16.048 22.603 10.502 1.00 0.23 H new ATOM 0 HA LEU B 10 18.119 24.345 11.489 1.00 0.23 H new ATOM 0 HB2 LEU B 10 15.714 25.054 9.758 1.00 0.25 H new ATOM 0 HB3 LEU B 10 17.251 25.894 9.828 1.00 0.25 H new ATOM 0 HG LEU B 10 16.899 22.990 8.940 1.00 0.24 H new ATOM 0 HD11 LEU B 10 17.402 23.887 6.678 1.00 0.30 H new ATOM 0 HD12 LEU B 10 15.925 24.624 7.343 1.00 0.30 H new ATOM 0 HD13 LEU B 10 17.453 25.536 7.345 1.00 0.30 H new ATOM 0 HD21 LEU B 10 19.259 23.198 8.205 1.00 0.23 H new ATOM 0 HD22 LEU B 10 19.321 24.849 8.866 1.00 0.23 H new ATOM 0 HD23 LEU B 10 19.110 23.460 9.959 1.00 0.23 H new ATOM 1443 N ASP B 11 15.089 24.750 12.649 1.00 0.23 N ATOM 1444 CA ASP B 11 14.317 25.495 13.682 1.00 0.25 C ATOM 1445 C ASP B 11 15.081 25.440 15.007 1.00 0.22 C ATOM 1446 O ASP B 11 15.429 26.455 15.576 1.00 0.30 O ATOM 1447 CB ASP B 11 12.935 24.858 13.857 1.00 0.30 C ATOM 1448 CG ASP B 11 12.013 25.829 14.598 1.00 0.97 C ATOM 1449 OD1 ASP B 11 11.596 26.800 13.989 1.00 1.67 O ATOM 1450 OD2 ASP B 11 11.740 25.586 15.762 1.00 1.67 O ATOM 0 H ASP B 11 14.601 23.961 12.226 1.00 0.23 H new ATOM 0 HA ASP B 11 14.191 26.532 13.370 1.00 0.25 H new ATOM 0 HB2 ASP B 11 12.512 24.610 12.884 1.00 0.30 H new ATOM 0 HB3 ASP B 11 13.021 23.925 14.414 1.00 0.30 H new ATOM 1455 N TYR B 12 15.353 24.259 15.500 1.00 0.17 N ATOM 1456 CA TYR B 12 16.103 24.139 16.782 1.00 0.15 C ATOM 1457 C TYR B 12 17.329 25.054 16.734 1.00 0.16 C ATOM 1458 O TYR B 12 17.613 25.780 17.666 1.00 0.23 O ATOM 1459 CB TYR B 12 16.553 22.683 16.975 1.00 0.14 C ATOM 1460 CG TYR B 12 15.352 21.800 17.271 1.00 0.17 C ATOM 1461 CD1 TYR B 12 14.559 22.038 18.403 1.00 0.23 C ATOM 1462 CD2 TYR B 12 15.032 20.739 16.413 1.00 0.20 C ATOM 1463 CE1 TYR B 12 13.455 21.221 18.672 1.00 0.27 C ATOM 1464 CE2 TYR B 12 13.928 19.922 16.683 1.00 0.24 C ATOM 1465 CZ TYR B 12 13.139 20.164 17.813 1.00 0.27 C ATOM 1466 OH TYR B 12 12.050 19.359 18.080 1.00 0.32 O ATOM 0 H TYR B 12 15.087 23.374 15.069 1.00 0.17 H new ATOM 0 HA TYR B 12 15.462 24.432 17.614 1.00 0.15 H new ATOM 0 HB2 TYR B 12 17.062 22.330 16.078 1.00 0.14 H new ATOM 0 HB3 TYR B 12 17.270 22.621 17.794 1.00 0.14 H new ATOM 0 HD1 TYR B 12 14.801 22.853 19.069 1.00 0.23 H new ATOM 0 HD2 TYR B 12 15.640 20.551 15.540 1.00 0.20 H new ATOM 0 HE1 TYR B 12 12.846 21.407 19.544 1.00 0.27 H new ATOM 0 HE2 TYR B 12 13.685 19.105 16.019 1.00 0.24 H new ATOM 0 HH TYR B 12 11.971 18.674 17.384 1.00 0.32 H new ATOM 1476 N CYS B 13 18.048 25.029 15.650 1.00 0.19 N ATOM 1477 CA CYS B 13 19.249 25.900 15.528 1.00 0.24 C ATOM 1478 C CYS B 13 18.834 27.356 15.747 1.00 0.26 C ATOM 1479 O CYS B 13 19.510 28.109 16.420 1.00 0.33 O ATOM 1480 CB CYS B 13 19.856 25.738 14.131 1.00 0.30 C ATOM 1481 SG CYS B 13 20.857 24.232 14.078 1.00 1.27 S ATOM 0 H CYS B 13 17.856 24.441 14.839 1.00 0.19 H new ATOM 0 HA CYS B 13 19.990 25.616 16.275 1.00 0.24 H new ATOM 0 HB2 CYS B 13 19.065 25.688 13.383 1.00 0.30 H new ATOM 0 HB3 CYS B 13 20.471 26.605 13.887 1.00 0.30 H new ATOM 0 HG CYS B 13 21.737 24.262 15.034 1.00 1.27 H new ATOM 1487 N GLN B 14 17.723 27.758 15.189 1.00 0.24 N ATOM 1488 CA GLN B 14 17.261 29.160 15.372 1.00 0.27 C ATOM 1489 C GLN B 14 17.324 29.515 16.857 1.00 0.24 C ATOM 1490 O GLN B 14 17.796 30.567 17.239 1.00 0.29 O ATOM 1491 CB GLN B 14 15.822 29.279 14.872 1.00 0.32 C ATOM 1492 CG GLN B 14 15.450 30.751 14.725 1.00 0.62 C ATOM 1493 CD GLN B 14 16.206 31.355 13.541 1.00 0.88 C ATOM 1494 OE1 GLN B 14 17.272 31.914 13.707 1.00 1.69 O ATOM 1495 NE2 GLN B 14 15.697 31.265 12.343 1.00 1.44 N ATOM 0 H GLN B 14 17.116 27.173 14.614 1.00 0.24 H new ATOM 0 HA GLN B 14 17.898 29.843 14.809 1.00 0.27 H new ATOM 0 HB2 GLN B 14 15.716 28.770 13.914 1.00 0.32 H new ATOM 0 HB3 GLN B 14 15.142 28.790 15.570 1.00 0.32 H new ATOM 0 HG2 GLN B 14 14.375 30.852 14.573 1.00 0.62 H new ATOM 0 HG3 GLN B 14 15.694 31.291 15.639 1.00 0.62 H new ATOM 0 HE21 GLN B 14 14.802 30.796 12.203 1.00 1.44 H new ATOM 0 HE22 GLN B 14 16.194 31.664 11.546 1.00 1.44 H new ATOM 1504 N LYS B 15 16.864 28.631 17.699 1.00 0.23 N ATOM 1505 CA LYS B 15 16.909 28.899 19.161 1.00 0.23 C ATOM 1506 C LYS B 15 18.374 28.975 19.598 1.00 0.20 C ATOM 1507 O LYS B 15 18.819 29.954 20.161 1.00 0.23 O ATOM 1508 CB LYS B 15 16.212 27.759 19.902 1.00 0.24 C ATOM 1509 CG LYS B 15 14.711 27.785 19.578 1.00 0.55 C ATOM 1510 CD LYS B 15 14.031 26.489 20.057 1.00 1.19 C ATOM 1511 CE LYS B 15 13.684 26.592 21.546 1.00 1.47 C ATOM 1512 NZ LYS B 15 12.427 27.377 21.709 1.00 2.21 N ATOM 0 H LYS B 15 16.458 27.733 17.435 1.00 0.23 H new ATOM 0 HA LYS B 15 16.405 29.838 19.389 1.00 0.23 H new ATOM 0 HB2 LYS B 15 16.643 26.802 19.608 1.00 0.24 H new ATOM 0 HB3 LYS B 15 16.366 27.861 20.976 1.00 0.24 H new ATOM 0 HG2 LYS B 15 14.245 28.646 20.058 1.00 0.55 H new ATOM 0 HG3 LYS B 15 14.567 27.902 18.504 1.00 0.55 H new ATOM 0 HD2 LYS B 15 13.126 26.309 19.477 1.00 1.19 H new ATOM 0 HD3 LYS B 15 14.692 25.639 19.888 1.00 1.19 H new ATOM 0 HE2 LYS B 15 13.561 25.596 21.972 1.00 1.47 H new ATOM 0 HE3 LYS B 15 14.499 27.072 22.088 1.00 1.47 H new ATOM 0 HZ1 LYS B 15 12.438 27.862 22.629 1.00 2.21 H new ATOM 0 HZ2 LYS B 15 12.356 28.081 20.947 1.00 2.21 H new ATOM 0 HZ3 LYS B 15 11.609 26.736 21.665 1.00 2.21 H new ATOM 1526 N LEU B 16 19.130 27.946 19.327 1.00 0.18 N ATOM 1527 CA LEU B 16 20.572 27.946 19.704 1.00 0.17 C ATOM 1528 C LEU B 16 21.201 29.276 19.264 1.00 0.18 C ATOM 1529 O LEU B 16 22.164 29.745 19.837 1.00 0.23 O ATOM 1530 CB LEU B 16 21.260 26.759 18.985 1.00 0.15 C ATOM 1531 CG LEU B 16 22.217 26.023 19.937 1.00 0.15 C ATOM 1532 CD1 LEU B 16 21.416 25.275 21.032 1.00 0.25 C ATOM 1533 CD2 LEU B 16 23.058 25.038 19.114 1.00 0.18 C ATOM 0 H LEU B 16 18.808 27.100 18.857 1.00 0.18 H new ATOM 0 HA LEU B 16 20.694 27.839 20.782 1.00 0.17 H new ATOM 0 HB2 LEU B 16 20.505 26.066 18.614 1.00 0.15 H new ATOM 0 HB3 LEU B 16 21.811 27.123 18.118 1.00 0.15 H new ATOM 0 HG LEU B 16 22.872 26.739 20.434 1.00 0.15 H new ATOM 0 HD11 LEU B 16 22.106 24.758 21.699 1.00 0.25 H new ATOM 0 HD12 LEU B 16 20.826 25.991 21.604 1.00 0.25 H new ATOM 0 HD13 LEU B 16 20.751 24.549 20.564 1.00 0.25 H new ATOM 0 HD21 LEU B 16 23.744 24.506 19.773 1.00 0.18 H new ATOM 0 HD22 LEU B 16 22.401 24.322 18.620 1.00 0.18 H new ATOM 0 HD23 LEU B 16 23.628 25.585 18.363 1.00 0.18 H new ATOM 1545 N LEU B 17 20.661 29.870 18.237 1.00 0.17 N ATOM 1546 CA LEU B 17 21.210 31.155 17.723 1.00 0.19 C ATOM 1547 C LEU B 17 20.652 32.341 18.522 1.00 0.22 C ATOM 1548 O LEU B 17 21.390 33.176 19.006 1.00 0.30 O ATOM 1549 CB LEU B 17 20.810 31.290 16.247 1.00 0.19 C ATOM 1550 CG LEU B 17 21.709 32.319 15.531 1.00 0.22 C ATOM 1551 CD1 LEU B 17 22.992 31.642 15.034 1.00 0.14 C ATOM 1552 CD2 LEU B 17 20.969 32.900 14.322 1.00 0.33 C ATOM 0 H LEU B 17 19.853 29.515 17.726 1.00 0.17 H new ATOM 0 HA LEU B 17 22.295 31.158 17.828 1.00 0.19 H new ATOM 0 HB2 LEU B 17 20.892 30.322 15.753 1.00 0.19 H new ATOM 0 HB3 LEU B 17 19.767 31.598 16.174 1.00 0.19 H new ATOM 0 HG LEU B 17 21.958 33.112 16.237 1.00 0.22 H new ATOM 0 HD11 LEU B 17 23.620 32.377 14.530 1.00 0.14 H new ATOM 0 HD12 LEU B 17 23.534 31.222 15.882 1.00 0.14 H new ATOM 0 HD13 LEU B 17 22.736 30.845 14.336 1.00 0.14 H new ATOM 0 HD21 LEU B 17 21.608 33.626 13.819 1.00 0.33 H new ATOM 0 HD22 LEU B 17 20.717 32.097 13.629 1.00 0.33 H new ATOM 0 HD23 LEU B 17 20.055 33.391 14.656 1.00 0.33 H new ATOM 1564 N GLU B 18 19.357 32.436 18.641 1.00 0.20 N ATOM 1565 CA GLU B 18 18.756 33.582 19.382 1.00 0.24 C ATOM 1566 C GLU B 18 19.212 33.575 20.849 1.00 0.22 C ATOM 1567 O GLU B 18 19.361 34.613 21.462 1.00 0.26 O ATOM 1568 CB GLU B 18 17.220 33.501 19.289 1.00 0.30 C ATOM 1569 CG GLU B 18 16.654 32.559 20.364 1.00 1.05 C ATOM 1570 CD GLU B 18 15.248 32.099 19.967 1.00 1.67 C ATOM 1571 OE1 GLU B 18 14.749 32.583 18.964 1.00 2.17 O ATOM 1572 OE2 GLU B 18 14.696 31.272 20.673 1.00 2.29 O ATOM 0 H GLU B 18 18.687 31.769 18.257 1.00 0.20 H new ATOM 0 HA GLU B 18 19.092 34.516 18.932 1.00 0.24 H new ATOM 0 HB2 GLU B 18 16.791 34.496 19.410 1.00 0.30 H new ATOM 0 HB3 GLU B 18 16.930 33.147 18.300 1.00 0.30 H new ATOM 0 HG2 GLU B 18 17.308 31.695 20.484 1.00 1.05 H new ATOM 0 HG3 GLU B 18 16.621 33.070 21.326 1.00 1.05 H new ATOM 1579 N LYS B 19 19.427 32.421 21.419 1.00 0.19 N ATOM 1580 CA LYS B 19 19.860 32.367 22.837 1.00 0.20 C ATOM 1581 C LYS B 19 21.268 32.958 22.958 1.00 0.19 C ATOM 1582 O LYS B 19 21.514 33.838 23.759 1.00 0.26 O ATOM 1583 CB LYS B 19 19.849 30.899 23.293 1.00 0.21 C ATOM 1584 CG LYS B 19 18.488 30.545 23.904 1.00 0.29 C ATOM 1585 CD LYS B 19 18.495 29.084 24.354 1.00 0.33 C ATOM 1586 CE LYS B 19 17.153 28.742 25.004 1.00 0.95 C ATOM 1587 NZ LYS B 19 17.046 29.438 26.318 1.00 1.68 N ATOM 0 H LYS B 19 19.321 31.516 20.961 1.00 0.19 H new ATOM 0 HA LYS B 19 19.186 32.946 23.468 1.00 0.20 H new ATOM 0 HB2 LYS B 19 20.056 30.246 22.445 1.00 0.21 H new ATOM 0 HB3 LYS B 19 20.639 30.732 24.025 1.00 0.21 H new ATOM 0 HG2 LYS B 19 18.278 31.197 24.752 1.00 0.29 H new ATOM 0 HG3 LYS B 19 17.696 30.708 23.173 1.00 0.29 H new ATOM 0 HD2 LYS B 19 18.674 28.431 23.500 1.00 0.33 H new ATOM 0 HD3 LYS B 19 19.307 28.914 25.061 1.00 0.33 H new ATOM 0 HE2 LYS B 19 16.333 29.045 24.352 1.00 0.95 H new ATOM 0 HE3 LYS B 19 17.068 27.664 25.143 1.00 0.95 H new ATOM 0 HZ1 LYS B 19 16.304 28.987 26.891 1.00 1.68 H new ATOM 0 HZ2 LYS B 19 17.956 29.376 26.819 1.00 1.68 H new ATOM 0 HZ3 LYS B 19 16.803 30.437 26.163 1.00 1.68 H new ATOM 1601 N PHE B 20 22.191 32.493 22.165 1.00 0.15 N ATOM 1602 CA PHE B 20 23.569 33.039 22.231 1.00 0.15 C ATOM 1603 C PHE B 20 23.614 34.339 21.429 1.00 0.16 C ATOM 1604 O PHE B 20 24.659 34.924 21.221 1.00 0.25 O ATOM 1605 CB PHE B 20 24.533 32.019 21.632 1.00 0.14 C ATOM 1606 CG PHE B 20 24.690 30.856 22.584 1.00 0.13 C ATOM 1607 CD1 PHE B 20 23.664 29.910 22.694 1.00 0.14 C ATOM 1608 CD2 PHE B 20 25.854 30.720 23.357 1.00 0.14 C ATOM 1609 CE1 PHE B 20 23.797 28.829 23.571 1.00 0.14 C ATOM 1610 CE2 PHE B 20 25.985 29.636 24.236 1.00 0.15 C ATOM 1611 CZ PHE B 20 24.956 28.692 24.342 1.00 0.14 C ATOM 0 H PHE B 20 22.048 31.757 21.473 1.00 0.15 H new ATOM 0 HA PHE B 20 23.856 33.238 23.263 1.00 0.15 H new ATOM 0 HB2 PHE B 20 24.157 31.668 20.671 1.00 0.14 H new ATOM 0 HB3 PHE B 20 25.501 32.483 21.445 1.00 0.14 H new ATOM 0 HD1 PHE B 20 22.768 30.015 22.100 1.00 0.14 H new ATOM 0 HD2 PHE B 20 26.647 31.449 23.275 1.00 0.14 H new ATOM 0 HE1 PHE B 20 23.005 28.100 23.653 1.00 0.14 H new ATOM 0 HE2 PHE B 20 26.880 29.529 24.832 1.00 0.15 H new ATOM 0 HZ PHE B 20 25.057 27.857 25.020 1.00 0.14 H new ATOM 1621 N ARG B 21 22.473 34.795 20.984 1.00 0.15 N ATOM 1622 CA ARG B 21 22.418 36.062 20.199 1.00 0.17 C ATOM 1623 C ARG B 21 23.484 36.055 19.098 1.00 0.14 C ATOM 1624 O ARG B 21 24.129 37.054 18.848 1.00 0.18 O ATOM 1625 CB ARG B 21 22.664 37.247 21.135 1.00 0.23 C ATOM 1626 CG ARG B 21 21.578 37.277 22.220 1.00 0.58 C ATOM 1627 CD ARG B 21 21.692 38.569 23.063 1.00 1.16 C ATOM 1628 NE ARG B 21 21.562 38.243 24.521 1.00 1.87 N ATOM 1629 CZ ARG B 21 20.612 37.458 24.960 1.00 2.62 C ATOM 1630 NH1 ARG B 21 19.687 37.021 24.151 1.00 2.94 N ATOM 1631 NH2 ARG B 21 20.571 37.135 26.224 1.00 3.56 N ATOM 0 H ARG B 21 21.572 34.341 21.132 1.00 0.15 H new ATOM 0 HA ARG B 21 21.435 36.150 19.737 1.00 0.17 H new ATOM 0 HB2 ARG B 21 23.649 37.163 21.594 1.00 0.23 H new ATOM 0 HB3 ARG B 21 22.654 38.179 20.570 1.00 0.23 H new ATOM 0 HG2 ARG B 21 20.592 37.223 21.758 1.00 0.58 H new ATOM 0 HG3 ARG B 21 21.676 36.404 22.866 1.00 0.58 H new ATOM 0 HD2 ARG B 21 22.650 39.053 22.874 1.00 1.16 H new ATOM 0 HD3 ARG B 21 20.915 39.275 22.769 1.00 1.16 H new ATOM 0 HE ARG B 21 22.227 38.641 25.184 1.00 1.87 H new ATOM 0 HH11 ARG B 21 19.701 37.291 23.167 1.00 2.94 H new ATOM 0 HH12 ARG B 21 18.950 36.409 24.502 1.00 2.94 H new ATOM 0 HH21 ARG B 21 21.278 37.494 26.865 1.00 3.56 H new ATOM 0 HH22 ARG B 21 19.832 36.523 26.570 1.00 3.56 H new ATOM 1645 N TYR B 22 23.676 34.946 18.431 1.00 0.14 N ATOM 1646 CA TYR B 22 24.702 34.904 17.347 1.00 0.13 C ATOM 1647 C TYR B 22 24.104 35.530 16.064 1.00 0.15 C ATOM 1648 O TYR B 22 22.907 35.467 15.870 1.00 0.16 O ATOM 1649 CB TYR B 22 25.066 33.439 17.045 1.00 0.12 C ATOM 1650 CG TYR B 22 26.107 32.897 18.019 1.00 0.13 C ATOM 1651 CD1 TYR B 22 27.335 33.558 18.215 1.00 0.14 C ATOM 1652 CD2 TYR B 22 25.841 31.710 18.720 1.00 0.14 C ATOM 1653 CE1 TYR B 22 28.278 33.031 19.106 1.00 0.17 C ATOM 1654 CE2 TYR B 22 26.787 31.189 19.608 1.00 0.17 C ATOM 1655 CZ TYR B 22 28.005 31.849 19.801 1.00 0.18 C ATOM 1656 OH TYR B 22 28.937 31.332 20.677 1.00 0.21 O ATOM 0 H TYR B 22 23.171 34.074 18.588 1.00 0.14 H new ATOM 0 HA TYR B 22 25.588 35.454 17.664 1.00 0.13 H new ATOM 0 HB2 TYR B 22 24.167 32.824 17.096 1.00 0.12 H new ATOM 0 HB3 TYR B 22 25.448 33.363 16.027 1.00 0.12 H new ATOM 0 HD1 TYR B 22 27.549 34.471 17.679 1.00 0.14 H new ATOM 0 HD2 TYR B 22 24.902 31.197 18.573 1.00 0.14 H new ATOM 0 HE1 TYR B 22 29.219 33.539 19.257 1.00 0.17 H new ATOM 0 HE2 TYR B 22 26.577 30.276 20.145 1.00 0.17 H new ATOM 0 HH TYR B 22 28.993 31.905 21.470 1.00 0.21 H new ATOM 1666 N PRO B 23 24.943 36.083 15.200 1.00 0.16 N ATOM 1667 CA PRO B 23 24.462 36.665 13.931 1.00 0.18 C ATOM 1668 C PRO B 23 23.787 35.573 13.083 1.00 0.19 C ATOM 1669 O PRO B 23 23.762 34.413 13.446 1.00 0.19 O ATOM 1670 CB PRO B 23 25.728 37.213 13.230 1.00 0.19 C ATOM 1671 CG PRO B 23 26.949 36.827 14.111 1.00 0.17 C ATOM 1672 CD PRO B 23 26.404 36.188 15.409 1.00 0.15 C ATOM 0 HA PRO B 23 23.723 37.451 14.083 1.00 0.18 H new ATOM 0 HB2 PRO B 23 25.827 36.790 12.230 1.00 0.19 H new ATOM 0 HB3 PRO B 23 25.665 38.295 13.114 1.00 0.19 H new ATOM 0 HG2 PRO B 23 27.597 36.128 13.583 1.00 0.17 H new ATOM 0 HG3 PRO B 23 27.550 37.707 14.340 1.00 0.17 H new ATOM 0 HD2 PRO B 23 26.849 35.208 15.584 1.00 0.15 H new ATOM 0 HD3 PRO B 23 26.635 36.803 16.279 1.00 0.15 H new ATOM 1680 N TRP B 24 23.238 35.946 11.961 1.00 0.22 N ATOM 1681 CA TRP B 24 22.555 34.953 11.076 1.00 0.24 C ATOM 1682 C TRP B 24 23.587 34.169 10.252 1.00 0.25 C ATOM 1683 O TRP B 24 23.269 33.169 9.640 1.00 0.34 O ATOM 1684 CB TRP B 24 21.605 35.702 10.133 1.00 0.28 C ATOM 1685 CG TRP B 24 21.049 34.761 9.108 1.00 0.53 C ATOM 1686 CD1 TRP B 24 21.387 34.756 7.798 1.00 1.45 C ATOM 1687 CD2 TRP B 24 20.069 33.696 9.282 1.00 0.35 C ATOM 1688 NE1 TRP B 24 20.676 33.757 7.157 1.00 1.68 N ATOM 1689 CE2 TRP B 24 19.851 33.076 8.029 1.00 0.93 C ATOM 1690 CE3 TRP B 24 19.355 33.213 10.393 1.00 0.96 C ATOM 1691 CZ2 TRP B 24 18.958 32.014 7.883 1.00 0.85 C ATOM 1692 CZ3 TRP B 24 18.455 32.145 10.250 1.00 1.15 C ATOM 1693 CH2 TRP B 24 18.257 31.546 8.997 1.00 0.63 C ATOM 0 H TRP B 24 23.232 36.905 11.613 1.00 0.22 H new ATOM 0 HA TRP B 24 21.995 34.248 11.691 1.00 0.24 H new ATOM 0 HB2 TRP B 24 20.793 36.151 10.704 1.00 0.28 H new ATOM 0 HB3 TRP B 24 22.136 36.516 9.640 1.00 0.28 H new ATOM 0 HD1 TRP B 24 22.096 35.423 7.329 1.00 1.45 H new ATOM 0 HE1 TRP B 24 20.752 33.549 6.161 1.00 1.68 H new ATOM 0 HE3 TRP B 24 19.500 33.666 11.362 1.00 0.96 H new ATOM 0 HZ2 TRP B 24 18.810 31.557 6.916 1.00 0.85 H new ATOM 0 HZ3 TRP B 24 17.912 31.782 11.110 1.00 1.15 H new ATOM 0 HH2 TRP B 24 17.564 30.724 8.894 1.00 0.63 H new ATOM 1704 N GLU B 25 24.807 34.625 10.205 1.00 0.21 N ATOM 1705 CA GLU B 25 25.838 33.915 9.389 1.00 0.24 C ATOM 1706 C GLU B 25 26.365 32.665 10.110 1.00 0.21 C ATOM 1707 O GLU B 25 27.000 31.825 9.503 1.00 0.24 O ATOM 1708 CB GLU B 25 27.004 34.868 9.118 1.00 0.31 C ATOM 1709 CG GLU B 25 28.049 34.165 8.248 1.00 1.20 C ATOM 1710 CD GLU B 25 29.035 35.198 7.699 1.00 1.43 C ATOM 1711 OE1 GLU B 25 28.594 36.098 7.004 1.00 1.99 O ATOM 1712 OE2 GLU B 25 30.215 35.070 7.981 1.00 1.86 O ATOM 0 H GLU B 25 25.137 35.457 10.694 1.00 0.21 H new ATOM 0 HA GLU B 25 25.375 33.598 8.454 1.00 0.24 H new ATOM 0 HB2 GLU B 25 26.644 35.767 8.617 1.00 0.31 H new ATOM 0 HB3 GLU B 25 27.453 35.186 10.059 1.00 0.31 H new ATOM 0 HG2 GLU B 25 28.580 33.415 8.834 1.00 1.20 H new ATOM 0 HG3 GLU B 25 27.561 33.641 7.427 1.00 1.20 H new ATOM 1719 N LEU B 26 26.134 32.529 11.391 1.00 0.16 N ATOM 1720 CA LEU B 26 26.659 31.326 12.119 1.00 0.15 C ATOM 1721 C LEU B 26 25.621 30.207 12.158 1.00 0.15 C ATOM 1722 O LEU B 26 25.615 29.398 13.063 1.00 0.19 O ATOM 1723 CB LEU B 26 27.025 31.705 13.554 1.00 0.13 C ATOM 1724 CG LEU B 26 27.827 33.007 13.570 1.00 0.13 C ATOM 1725 CD1 LEU B 26 28.447 33.188 14.954 1.00 0.14 C ATOM 1726 CD2 LEU B 26 28.941 32.959 12.516 1.00 0.14 C ATOM 0 H LEU B 26 25.610 33.191 11.963 1.00 0.16 H new ATOM 0 HA LEU B 26 27.541 30.973 11.584 1.00 0.15 H new ATOM 0 HB2 LEU B 26 26.119 31.820 14.149 1.00 0.13 H new ATOM 0 HB3 LEU B 26 27.607 30.905 14.011 1.00 0.13 H new ATOM 0 HG LEU B 26 27.164 33.841 13.342 1.00 0.13 H new ATOM 0 HD11 LEU B 26 29.022 34.114 14.977 1.00 0.14 H new ATOM 0 HD12 LEU B 26 27.657 33.233 15.704 1.00 0.14 H new ATOM 0 HD13 LEU B 26 29.106 32.347 15.171 1.00 0.14 H new ATOM 0 HD21 LEU B 26 29.504 33.892 12.539 1.00 0.14 H new ATOM 0 HD22 LEU B 26 29.610 32.126 12.732 1.00 0.14 H new ATOM 0 HD23 LEU B 26 28.501 32.824 11.528 1.00 0.14 H new ATOM 1738 N MET B 27 24.754 30.130 11.192 1.00 0.15 N ATOM 1739 CA MET B 27 23.752 29.038 11.211 1.00 0.17 C ATOM 1740 C MET B 27 24.433 27.668 10.935 1.00 0.14 C ATOM 1741 O MET B 27 24.050 26.688 11.543 1.00 0.19 O ATOM 1742 CB MET B 27 22.640 29.328 10.180 1.00 0.20 C ATOM 1743 CG MET B 27 21.535 30.169 10.830 1.00 0.39 C ATOM 1744 SD MET B 27 20.607 29.144 11.995 1.00 1.31 S ATOM 1745 CE MET B 27 19.409 28.497 10.807 1.00 0.45 C ATOM 0 H MET B 27 24.696 30.769 10.399 1.00 0.15 H new ATOM 0 HA MET B 27 23.298 28.988 12.201 1.00 0.17 H new ATOM 0 HB2 MET B 27 23.056 29.857 9.323 1.00 0.20 H new ATOM 0 HB3 MET B 27 22.225 28.392 9.806 1.00 0.20 H new ATOM 0 HG2 MET B 27 21.970 31.024 11.347 1.00 0.39 H new ATOM 0 HG3 MET B 27 20.867 30.565 10.065 1.00 0.39 H new ATOM 0 HE1 MET B 27 19.051 27.524 11.144 1.00 0.45 H new ATOM 0 HE2 MET B 27 18.568 29.185 10.727 1.00 0.45 H new ATOM 0 HE3 MET B 27 19.885 28.391 9.832 1.00 0.45 H new ATOM 1755 N PRO B 28 25.421 27.608 10.045 1.00 0.09 N ATOM 1756 CA PRO B 28 26.111 26.328 9.749 1.00 0.09 C ATOM 1757 C PRO B 28 26.767 25.751 11.015 1.00 0.09 C ATOM 1758 O PRO B 28 26.825 24.554 11.195 1.00 0.14 O ATOM 1759 CB PRO B 28 27.169 26.691 8.679 1.00 0.10 C ATOM 1760 CG PRO B 28 26.828 28.119 8.186 1.00 0.12 C ATOM 1761 CD PRO B 28 25.928 28.757 9.258 1.00 0.12 C ATOM 0 HA PRO B 28 25.424 25.559 9.396 1.00 0.09 H new ATOM 0 HB2 PRO B 28 28.174 26.656 9.100 1.00 0.10 H new ATOM 0 HB3 PRO B 28 27.145 25.980 7.853 1.00 0.10 H new ATOM 0 HG2 PRO B 28 27.736 28.706 8.044 1.00 0.12 H new ATOM 0 HG3 PRO B 28 26.317 28.084 7.224 1.00 0.12 H new ATOM 0 HD2 PRO B 28 26.487 29.452 9.884 1.00 0.12 H new ATOM 0 HD3 PRO B 28 25.112 29.321 8.807 1.00 0.12 H new ATOM 1769 N LEU B 29 27.261 26.578 11.892 1.00 0.10 N ATOM 1770 CA LEU B 29 27.898 26.034 13.126 1.00 0.09 C ATOM 1771 C LEU B 29 26.804 25.503 14.052 1.00 0.10 C ATOM 1772 O LEU B 29 26.938 24.453 14.648 1.00 0.16 O ATOM 1773 CB LEU B 29 28.701 27.131 13.826 1.00 0.08 C ATOM 1774 CG LEU B 29 29.559 27.868 12.794 1.00 0.09 C ATOM 1775 CD1 LEU B 29 30.431 28.909 13.503 1.00 0.12 C ATOM 1776 CD2 LEU B 29 30.453 26.859 12.057 1.00 0.09 C ATOM 0 H LEU B 29 27.253 27.595 11.812 1.00 0.10 H new ATOM 0 HA LEU B 29 28.579 25.224 12.866 1.00 0.09 H new ATOM 0 HB2 LEU B 29 28.028 27.830 14.322 1.00 0.08 H new ATOM 0 HB3 LEU B 29 29.335 26.696 14.599 1.00 0.08 H new ATOM 0 HG LEU B 29 28.912 28.370 12.074 1.00 0.09 H new ATOM 0 HD11 LEU B 29 31.042 29.433 12.768 1.00 0.12 H new ATOM 0 HD12 LEU B 29 29.794 29.625 14.022 1.00 0.12 H new ATOM 0 HD13 LEU B 29 31.079 28.411 14.224 1.00 0.12 H new ATOM 0 HD21 LEU B 29 31.064 27.383 11.322 1.00 0.09 H new ATOM 0 HD22 LEU B 29 31.101 26.355 12.774 1.00 0.09 H new ATOM 0 HD23 LEU B 29 29.829 26.122 11.551 1.00 0.09 H new ATOM 1788 N MET B 30 25.709 26.206 14.159 1.00 0.10 N ATOM 1789 CA MET B 30 24.599 25.725 15.021 1.00 0.12 C ATOM 1790 C MET B 30 24.066 24.425 14.422 1.00 0.10 C ATOM 1791 O MET B 30 23.514 23.585 15.105 1.00 0.13 O ATOM 1792 CB MET B 30 23.474 26.763 15.035 1.00 0.16 C ATOM 1793 CG MET B 30 24.009 28.134 15.459 1.00 0.19 C ATOM 1794 SD MET B 30 24.089 28.219 17.268 1.00 1.23 S ATOM 1795 CE MET B 30 25.880 28.412 17.433 1.00 0.22 C ATOM 0 H MET B 30 25.538 27.093 13.685 1.00 0.10 H new ATOM 0 HA MET B 30 24.955 25.566 16.039 1.00 0.12 H new ATOM 0 HB2 MET B 30 23.024 26.833 14.045 1.00 0.16 H new ATOM 0 HB3 MET B 30 22.688 26.446 15.720 1.00 0.16 H new ATOM 0 HG2 MET B 30 24.999 28.298 15.033 1.00 0.19 H new ATOM 0 HG3 MET B 30 23.362 28.923 15.076 1.00 0.19 H new ATOM 0 HE1 MET B 30 26.142 28.484 18.488 1.00 0.22 H new ATOM 0 HE2 MET B 30 26.381 27.550 16.992 1.00 0.22 H new ATOM 0 HE3 MET B 30 26.197 29.319 16.918 1.00 0.22 H new ATOM 1805 N TYR B 31 24.232 24.265 13.136 1.00 0.08 N ATOM 1806 CA TYR B 31 23.745 23.035 12.453 1.00 0.08 C ATOM 1807 C TYR B 31 24.631 21.849 12.841 1.00 0.08 C ATOM 1808 O TYR B 31 24.150 20.770 13.123 1.00 0.09 O ATOM 1809 CB TYR B 31 23.802 23.255 10.935 1.00 0.09 C ATOM 1810 CG TYR B 31 23.544 21.959 10.204 1.00 0.09 C ATOM 1811 CD1 TYR B 31 22.238 21.596 9.858 1.00 0.10 C ATOM 1812 CD2 TYR B 31 24.616 21.126 9.865 1.00 0.10 C ATOM 1813 CE1 TYR B 31 22.004 20.397 9.174 1.00 0.11 C ATOM 1814 CE2 TYR B 31 24.383 19.928 9.181 1.00 0.11 C ATOM 1815 CZ TYR B 31 23.076 19.563 8.835 1.00 0.11 C ATOM 1816 OH TYR B 31 22.846 18.381 8.160 1.00 0.13 O ATOM 0 H TYR B 31 24.689 24.942 12.525 1.00 0.08 H new ATOM 0 HA TYR B 31 22.719 22.823 12.754 1.00 0.08 H new ATOM 0 HB2 TYR B 31 23.062 23.999 10.641 1.00 0.09 H new ATOM 0 HB3 TYR B 31 24.779 23.649 10.655 1.00 0.09 H new ATOM 0 HD1 TYR B 31 21.411 22.240 10.118 1.00 0.10 H new ATOM 0 HD2 TYR B 31 25.624 21.408 10.132 1.00 0.10 H new ATOM 0 HE1 TYR B 31 20.996 20.115 8.908 1.00 0.11 H new ATOM 0 HE2 TYR B 31 25.211 19.285 8.920 1.00 0.11 H new ATOM 0 HH TYR B 31 23.698 17.923 8.002 1.00 0.13 H new ATOM 1826 N VAL B 32 25.921 22.037 12.852 1.00 0.08 N ATOM 1827 CA VAL B 32 26.831 20.917 13.215 1.00 0.08 C ATOM 1828 C VAL B 32 26.679 20.586 14.703 1.00 0.08 C ATOM 1829 O VAL B 32 26.469 19.448 15.074 1.00 0.10 O ATOM 1830 CB VAL B 32 28.279 21.316 12.916 1.00 0.08 C ATOM 1831 CG1 VAL B 32 29.219 20.183 13.339 1.00 0.08 C ATOM 1832 CG2 VAL B 32 28.433 21.579 11.412 1.00 0.08 C ATOM 0 H VAL B 32 26.384 22.917 12.625 1.00 0.08 H new ATOM 0 HA VAL B 32 26.572 20.036 12.627 1.00 0.08 H new ATOM 0 HB VAL B 32 28.531 22.220 13.471 1.00 0.08 H new ATOM 0 HG11 VAL B 32 30.250 20.467 13.126 1.00 0.08 H new ATOM 0 HG12 VAL B 32 29.107 19.997 14.407 1.00 0.08 H new ATOM 0 HG13 VAL B 32 28.970 19.278 12.785 1.00 0.08 H new ATOM 0 HG21 VAL B 32 29.463 21.863 11.196 1.00 0.08 H new ATOM 0 HG22 VAL B 32 28.182 20.675 10.857 1.00 0.08 H new ATOM 0 HG23 VAL B 32 27.764 22.386 11.113 1.00 0.08 H new ATOM 1842 N ILE B 33 26.781 21.566 15.560 1.00 0.08 N ATOM 1843 CA ILE B 33 26.641 21.295 17.018 1.00 0.08 C ATOM 1844 C ILE B 33 25.390 20.426 17.263 1.00 0.09 C ATOM 1845 O ILE B 33 25.489 19.320 17.758 1.00 0.10 O ATOM 1846 CB ILE B 33 26.552 22.636 17.758 1.00 0.08 C ATOM 1847 CG1 ILE B 33 27.931 23.305 17.736 1.00 0.09 C ATOM 1848 CG2 ILE B 33 26.128 22.412 19.205 1.00 0.09 C ATOM 1849 CD1 ILE B 33 27.829 24.750 18.234 1.00 0.08 C ATOM 0 H ILE B 33 26.955 22.540 15.313 1.00 0.08 H new ATOM 0 HA ILE B 33 27.504 20.746 17.394 1.00 0.08 H new ATOM 0 HB ILE B 33 25.814 23.271 17.267 1.00 0.08 H new ATOM 0 HG12 ILE B 33 28.624 22.745 18.363 1.00 0.09 H new ATOM 0 HG13 ILE B 33 28.334 23.290 16.723 1.00 0.09 H new ATOM 0 HG21 ILE B 33 26.069 23.371 19.719 1.00 0.09 H new ATOM 0 HG22 ILE B 33 25.152 21.927 19.227 1.00 0.09 H new ATOM 0 HG23 ILE B 33 26.860 21.777 19.704 1.00 0.09 H new ATOM 0 HD11 ILE B 33 28.816 25.213 18.213 1.00 0.08 H new ATOM 0 HD12 ILE B 33 27.152 25.310 17.589 1.00 0.08 H new ATOM 0 HD13 ILE B 33 27.447 24.757 19.255 1.00 0.08 H new ATOM 1861 N LEU B 34 24.221 20.897 16.904 1.00 0.08 N ATOM 1862 CA LEU B 34 22.983 20.074 17.100 1.00 0.09 C ATOM 1863 C LEU B 34 23.183 18.701 16.429 1.00 0.12 C ATOM 1864 O LEU B 34 22.825 17.679 16.977 1.00 0.16 O ATOM 1865 CB LEU B 34 21.789 20.828 16.439 1.00 0.10 C ATOM 1866 CG LEU B 34 20.796 21.507 17.454 1.00 0.10 C ATOM 1867 CD1 LEU B 34 21.427 21.820 18.824 1.00 0.10 C ATOM 1868 CD2 LEU B 34 20.282 22.815 16.838 1.00 0.11 C ATOM 0 H LEU B 34 24.069 21.814 16.484 1.00 0.08 H new ATOM 0 HA LEU B 34 22.780 19.922 18.160 1.00 0.09 H new ATOM 0 HB2 LEU B 34 22.185 21.594 15.772 1.00 0.10 H new ATOM 0 HB3 LEU B 34 21.231 20.125 15.821 1.00 0.10 H new ATOM 0 HG LEU B 34 19.991 20.795 17.633 1.00 0.10 H new ATOM 0 HD11 LEU B 34 20.683 22.286 19.469 1.00 0.10 H new ATOM 0 HD12 LEU B 34 21.777 20.895 19.283 1.00 0.10 H new ATOM 0 HD13 LEU B 34 22.268 22.500 18.690 1.00 0.10 H new ATOM 0 HD21 LEU B 34 19.592 23.297 17.531 1.00 0.11 H new ATOM 0 HD22 LEU B 34 21.123 23.480 16.642 1.00 0.11 H new ATOM 0 HD23 LEU B 34 19.765 22.598 15.903 1.00 0.11 H new ATOM 1880 N LYS B 35 23.742 18.671 15.251 1.00 0.13 N ATOM 1881 CA LYS B 35 23.950 17.366 14.555 1.00 0.17 C ATOM 1882 C LYS B 35 24.693 16.391 15.471 1.00 0.19 C ATOM 1883 O LYS B 35 24.447 15.201 15.452 1.00 0.28 O ATOM 1884 CB LYS B 35 24.772 17.595 13.285 1.00 0.16 C ATOM 1885 CG LYS B 35 24.689 16.356 12.391 1.00 0.19 C ATOM 1886 CD LYS B 35 25.560 16.563 11.150 1.00 0.26 C ATOM 1887 CE LYS B 35 25.368 15.388 10.190 1.00 0.70 C ATOM 1888 NZ LYS B 35 25.551 14.107 10.928 1.00 1.58 N ATOM 0 H LYS B 35 24.064 19.492 14.739 1.00 0.13 H new ATOM 0 HA LYS B 35 22.980 16.942 14.297 1.00 0.17 H new ATOM 0 HB2 LYS B 35 24.398 18.468 12.750 1.00 0.16 H new ATOM 0 HB3 LYS B 35 25.811 17.800 13.544 1.00 0.16 H new ATOM 0 HG2 LYS B 35 25.023 15.475 12.940 1.00 0.19 H new ATOM 0 HG3 LYS B 35 23.655 16.175 12.097 1.00 0.19 H new ATOM 0 HD2 LYS B 35 25.292 17.497 10.656 1.00 0.26 H new ATOM 0 HD3 LYS B 35 26.608 16.644 11.438 1.00 0.26 H new ATOM 0 HE2 LYS B 35 24.373 15.426 9.747 1.00 0.70 H new ATOM 0 HE3 LYS B 35 26.084 15.453 9.371 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 25.906 13.379 10.276 1.00 1.58 H new ATOM 0 HZ2 LYS B 35 26.235 14.245 11.699 1.00 1.58 H new ATOM 0 HZ3 LYS B 35 24.639 13.802 11.325 1.00 1.58 H new ATOM 1902 N ASP B 36 25.604 16.878 16.265 1.00 0.23 N ATOM 1903 CA ASP B 36 26.367 15.972 17.172 1.00 0.28 C ATOM 1904 C ASP B 36 25.602 15.781 18.483 1.00 0.26 C ATOM 1905 O ASP B 36 25.556 14.701 19.038 1.00 0.39 O ATOM 1906 CB ASP B 36 27.730 16.597 17.471 1.00 0.34 C ATOM 1907 CG ASP B 36 28.651 16.426 16.261 1.00 1.23 C ATOM 1908 OD1 ASP B 36 28.766 15.310 15.782 1.00 1.96 O ATOM 1909 OD2 ASP B 36 29.224 17.415 15.833 1.00 1.92 O ATOM 0 H ASP B 36 25.855 17.865 16.326 1.00 0.23 H new ATOM 0 HA ASP B 36 26.497 15.004 16.689 1.00 0.28 H new ATOM 0 HB2 ASP B 36 27.613 17.655 17.704 1.00 0.34 H new ATOM 0 HB3 ASP B 36 28.173 16.125 18.348 1.00 0.34 H new ATOM 1914 N ALA B 37 25.018 16.828 18.989 1.00 0.21 N ATOM 1915 CA ALA B 37 24.272 16.725 20.272 1.00 0.21 C ATOM 1916 C ALA B 37 22.912 16.079 20.043 1.00 0.20 C ATOM 1917 O ALA B 37 21.935 16.447 20.664 1.00 0.24 O ATOM 1918 CB ALA B 37 24.056 18.126 20.829 1.00 0.22 C ATOM 0 H ALA B 37 25.025 17.757 18.567 1.00 0.21 H new ATOM 0 HA ALA B 37 24.847 16.116 20.970 1.00 0.21 H new ATOM 0 HB1 ALA B 37 23.510 18.063 21.770 1.00 0.22 H new ATOM 0 HB2 ALA B 37 25.021 18.602 21.001 1.00 0.22 H new ATOM 0 HB3 ALA B 37 23.482 18.717 20.115 1.00 0.22 H new ATOM 1924 N ASP B 38 22.820 15.133 19.155 1.00 0.20 N ATOM 1925 CA ASP B 38 21.496 14.507 18.908 1.00 0.21 C ATOM 1926 C ASP B 38 20.496 15.625 18.607 1.00 0.18 C ATOM 1927 O ASP B 38 19.296 15.445 18.656 1.00 0.21 O ATOM 1928 CB ASP B 38 21.063 13.731 20.160 1.00 0.28 C ATOM 1929 CG ASP B 38 20.043 12.653 19.780 1.00 1.00 C ATOM 1930 OD1 ASP B 38 19.397 12.811 18.757 1.00 1.59 O ATOM 1931 OD2 ASP B 38 19.926 11.689 20.518 1.00 1.86 O ATOM 0 H ASP B 38 23.593 14.770 18.597 1.00 0.20 H new ATOM 0 HA ASP B 38 21.543 13.815 18.068 1.00 0.21 H new ATOM 0 HB2 ASP B 38 21.932 13.272 20.632 1.00 0.28 H new ATOM 0 HB3 ASP B 38 20.628 14.414 20.889 1.00 0.28 H new ATOM 1936 N ALA B 39 21.012 16.784 18.308 1.00 0.14 N ATOM 1937 CA ALA B 39 20.156 17.956 18.008 1.00 0.14 C ATOM 1938 C ALA B 39 19.417 18.395 19.275 1.00 0.15 C ATOM 1939 O ALA B 39 18.543 19.238 19.235 1.00 0.18 O ATOM 1940 CB ALA B 39 19.154 17.605 16.909 1.00 0.16 C ATOM 0 H ALA B 39 22.014 16.968 18.259 1.00 0.14 H new ATOM 0 HA ALA B 39 20.783 18.777 17.660 1.00 0.14 H new ATOM 0 HB1 ALA B 39 18.529 18.472 16.695 1.00 0.16 H new ATOM 0 HB2 ALA B 39 19.691 17.314 16.006 1.00 0.16 H new ATOM 0 HB3 ALA B 39 18.526 16.778 17.240 1.00 0.16 H new ATOM 1946 N ASN B 40 19.767 17.834 20.400 1.00 0.15 N ATOM 1947 CA ASN B 40 19.090 18.226 21.667 1.00 0.18 C ATOM 1948 C ASN B 40 19.670 19.555 22.151 1.00 0.15 C ATOM 1949 O ASN B 40 20.784 19.620 22.632 1.00 0.15 O ATOM 1950 CB ASN B 40 19.320 17.146 22.726 1.00 0.23 C ATOM 1951 CG ASN B 40 18.324 17.328 23.873 1.00 0.91 C ATOM 1952 OD1 ASN B 40 18.730 17.857 24.994 1.00 1.90 O flip ATOM 1953 ND2 ASN B 40 17.165 16.987 23.747 1.00 1.32 N flip ATOM 0 H ASN B 40 20.491 17.122 20.496 1.00 0.15 H new ATOM 0 HA ASN B 40 18.019 18.335 21.495 1.00 0.18 H new ATOM 0 HB2 ASN B 40 19.202 16.157 22.283 1.00 0.23 H new ATOM 0 HB3 ASN B 40 20.340 17.206 23.105 1.00 0.23 H new ATOM 0 HD21 ASN B 40 16.848 16.573 22.870 1.00 1.32 H new ATOM 0 HD22 ASN B 40 16.509 17.114 24.518 1.00 1.32 H new ATOM 1960 N ILE B 41 18.928 20.616 22.015 1.00 0.15 N ATOM 1961 CA ILE B 41 19.438 21.942 22.451 1.00 0.15 C ATOM 1962 C ILE B 41 19.896 21.882 23.913 1.00 0.15 C ATOM 1963 O ILE B 41 21.012 22.240 24.231 1.00 0.14 O ATOM 1964 CB ILE B 41 18.331 22.987 22.267 1.00 0.19 C ATOM 1965 CG1 ILE B 41 18.163 23.239 20.758 1.00 0.21 C ATOM 1966 CG2 ILE B 41 18.710 24.292 22.994 1.00 0.21 C ATOM 1967 CD1 ILE B 41 16.980 24.174 20.503 1.00 0.24 C ATOM 0 H ILE B 41 17.988 20.622 21.620 1.00 0.15 H new ATOM 0 HA ILE B 41 20.299 22.223 21.844 1.00 0.15 H new ATOM 0 HB ILE B 41 17.393 22.628 22.691 1.00 0.19 H new ATOM 0 HG12 ILE B 41 19.075 23.677 20.352 1.00 0.21 H new ATOM 0 HG13 ILE B 41 18.005 22.293 20.240 1.00 0.21 H new ATOM 0 HG21 ILE B 41 17.918 25.028 22.857 1.00 0.21 H new ATOM 0 HG22 ILE B 41 18.840 24.092 24.058 1.00 0.21 H new ATOM 0 HG23 ILE B 41 19.641 24.681 22.582 1.00 0.21 H new ATOM 0 HD11 ILE B 41 16.874 24.343 19.431 1.00 0.24 H new ATOM 0 HD12 ILE B 41 16.068 23.721 20.891 1.00 0.24 H new ATOM 0 HD13 ILE B 41 17.154 25.126 21.005 1.00 0.24 H new ATOM 1979 N GLU B 42 19.057 21.438 24.807 1.00 0.17 N ATOM 1980 CA GLU B 42 19.469 21.370 26.237 1.00 0.17 C ATOM 1981 C GLU B 42 20.837 20.696 26.346 1.00 0.16 C ATOM 1982 O GLU B 42 21.606 20.982 27.237 1.00 0.18 O ATOM 1983 CB GLU B 42 18.436 20.570 27.035 1.00 0.20 C ATOM 1984 CG GLU B 42 17.164 21.403 27.205 1.00 0.30 C ATOM 1985 CD GLU B 42 16.163 20.635 28.071 1.00 1.03 C ATOM 1986 OE1 GLU B 42 16.603 19.888 28.929 1.00 1.65 O ATOM 1987 OE2 GLU B 42 14.973 20.808 27.860 1.00 1.78 O ATOM 0 H GLU B 42 18.108 21.120 24.611 1.00 0.17 H new ATOM 0 HA GLU B 42 19.531 22.380 26.641 1.00 0.17 H new ATOM 0 HB2 GLU B 42 18.206 19.637 26.520 1.00 0.20 H new ATOM 0 HB3 GLU B 42 18.842 20.304 28.011 1.00 0.20 H new ATOM 0 HG2 GLU B 42 17.403 22.360 27.668 1.00 0.30 H new ATOM 0 HG3 GLU B 42 16.726 21.621 26.231 1.00 0.30 H new ATOM 1994 N GLU B 43 21.157 19.811 25.440 1.00 0.16 N ATOM 1995 CA GLU B 43 22.491 19.143 25.495 1.00 0.16 C ATOM 1996 C GLU B 43 23.497 20.013 24.741 1.00 0.14 C ATOM 1997 O GLU B 43 24.553 20.336 25.243 1.00 0.20 O ATOM 1998 CB GLU B 43 22.410 17.758 24.843 1.00 0.18 C ATOM 1999 CG GLU B 43 23.598 16.904 25.298 1.00 0.30 C ATOM 2000 CD GLU B 43 23.402 16.495 26.759 1.00 1.21 C ATOM 2001 OE1 GLU B 43 22.261 16.354 27.166 1.00 1.96 O ATOM 2002 OE2 GLU B 43 24.397 16.331 27.446 1.00 1.89 O ATOM 0 H GLU B 43 20.556 19.522 24.668 1.00 0.16 H new ATOM 0 HA GLU B 43 22.804 19.020 26.532 1.00 0.16 H new ATOM 0 HB2 GLU B 43 21.474 17.271 25.116 1.00 0.18 H new ATOM 0 HB3 GLU B 43 22.414 17.855 23.757 1.00 0.18 H new ATOM 0 HG2 GLU B 43 23.684 16.018 24.670 1.00 0.30 H new ATOM 0 HG3 GLU B 43 24.526 17.465 25.188 1.00 0.30 H new ATOM 2009 N ALA B 44 23.170 20.405 23.539 1.00 0.12 N ATOM 2010 CA ALA B 44 24.104 21.266 22.759 1.00 0.12 C ATOM 2011 C ALA B 44 24.347 22.567 23.533 1.00 0.12 C ATOM 2012 O ALA B 44 25.469 22.992 23.720 1.00 0.14 O ATOM 2013 CB ALA B 44 23.486 21.585 21.386 1.00 0.13 C ATOM 0 H ALA B 44 22.299 20.167 23.065 1.00 0.12 H new ATOM 0 HA ALA B 44 25.050 20.746 22.611 1.00 0.12 H new ATOM 0 HB1 ALA B 44 24.170 22.215 20.817 1.00 0.13 H new ATOM 0 HB2 ALA B 44 23.309 20.657 20.842 1.00 0.13 H new ATOM 0 HB3 ALA B 44 22.541 22.110 21.525 1.00 0.13 H new ATOM 2019 N SER B 45 23.298 23.202 23.975 1.00 0.12 N ATOM 2020 CA SER B 45 23.461 24.476 24.728 1.00 0.16 C ATOM 2021 C SER B 45 24.478 24.276 25.852 1.00 0.15 C ATOM 2022 O SER B 45 25.198 25.181 26.220 1.00 0.16 O ATOM 2023 CB SER B 45 22.111 24.888 25.326 1.00 0.19 C ATOM 2024 OG SER B 45 21.989 24.336 26.630 1.00 0.82 O ATOM 0 H SER B 45 22.334 22.894 23.847 1.00 0.12 H new ATOM 0 HA SER B 45 23.814 25.257 24.054 1.00 0.16 H new ATOM 0 HB2 SER B 45 22.036 25.975 25.370 1.00 0.19 H new ATOM 0 HB3 SER B 45 21.297 24.537 24.692 1.00 0.19 H new ATOM 0 HG SER B 45 21.572 23.451 26.573 1.00 0.82 H new ATOM 2030 N ARG B 46 24.536 23.097 26.404 1.00 0.17 N ATOM 2031 CA ARG B 46 25.499 22.836 27.510 1.00 0.20 C ATOM 2032 C ARG B 46 26.924 22.771 26.933 1.00 0.17 C ATOM 2033 O ARG B 46 27.890 23.048 27.616 1.00 0.23 O ATOM 2034 CB ARG B 46 25.130 21.499 28.194 1.00 0.24 C ATOM 2035 CG ARG B 46 24.288 21.741 29.459 1.00 0.84 C ATOM 2036 CD ARG B 46 22.992 22.521 29.133 1.00 1.21 C ATOM 2037 NE ARG B 46 23.055 23.829 29.842 1.00 1.63 N ATOM 2038 CZ ARG B 46 22.138 24.737 29.646 1.00 2.08 C ATOM 2039 NH1 ARG B 46 21.122 24.483 28.869 1.00 2.50 N ATOM 2040 NH2 ARG B 46 22.232 25.896 30.237 1.00 2.80 N ATOM 0 H ARG B 46 23.957 22.301 26.137 1.00 0.17 H new ATOM 0 HA ARG B 46 25.454 23.636 28.249 1.00 0.20 H new ATOM 0 HB2 ARG B 46 24.574 20.871 27.497 1.00 0.24 H new ATOM 0 HB3 ARG B 46 26.039 20.957 28.456 1.00 0.24 H new ATOM 0 HG2 ARG B 46 24.034 20.785 29.917 1.00 0.84 H new ATOM 0 HG3 ARG B 46 24.876 22.298 30.188 1.00 0.84 H new ATOM 0 HD2 ARG B 46 22.899 22.674 28.058 1.00 1.21 H new ATOM 0 HD3 ARG B 46 22.116 21.956 29.452 1.00 1.21 H new ATOM 0 HE ARG B 46 23.822 24.017 30.487 1.00 1.63 H new ATOM 0 HH11 ARG B 46 21.043 23.574 28.413 1.00 2.50 H new ATOM 0 HH12 ARG B 46 20.406 25.194 28.717 1.00 2.50 H new ATOM 0 HH21 ARG B 46 23.022 26.092 30.852 1.00 2.80 H new ATOM 0 HH22 ARG B 46 21.516 26.606 30.084 1.00 2.80 H new ATOM 2054 N ARG B 47 27.061 22.412 25.683 1.00 0.13 N ATOM 2055 CA ARG B 47 28.422 22.338 25.074 1.00 0.12 C ATOM 2056 C ARG B 47 28.934 23.752 24.801 1.00 0.11 C ATOM 2057 O ARG B 47 29.961 24.165 25.303 1.00 0.12 O ATOM 2058 CB ARG B 47 28.358 21.572 23.751 1.00 0.15 C ATOM 2059 CG ARG B 47 27.711 20.204 23.972 1.00 0.32 C ATOM 2060 CD ARG B 47 27.783 19.392 22.677 1.00 0.54 C ATOM 2061 NE ARG B 47 27.443 17.971 22.968 1.00 0.95 N ATOM 2062 CZ ARG B 47 27.168 17.151 21.991 1.00 1.20 C ATOM 2063 NH1 ARG B 47 27.184 17.577 20.757 1.00 1.81 N ATOM 2064 NH2 ARG B 47 26.876 15.905 22.247 1.00 1.62 N ATOM 0 H ARG B 47 26.292 22.168 25.059 1.00 0.13 H new ATOM 0 HA ARG B 47 29.093 21.824 25.763 1.00 0.12 H new ATOM 0 HB2 ARG B 47 27.785 22.141 23.019 1.00 0.15 H new ATOM 0 HB3 ARG B 47 29.361 21.448 23.344 1.00 0.15 H new ATOM 0 HG2 ARG B 47 28.222 19.674 24.776 1.00 0.32 H new ATOM 0 HG3 ARG B 47 26.673 20.326 24.280 1.00 0.32 H new ATOM 0 HD2 ARG B 47 27.092 19.800 21.940 1.00 0.54 H new ATOM 0 HD3 ARG B 47 28.783 19.458 22.248 1.00 0.54 H new ATOM 0 HE ARG B 47 27.425 17.639 23.932 1.00 0.95 H new ATOM 0 HH11 ARG B 47 27.412 18.551 20.557 1.00 1.81 H new ATOM 0 HH12 ARG B 47 26.969 16.936 19.993 1.00 1.81 H new ATOM 0 HH21 ARG B 47 26.863 15.572 23.211 1.00 1.62 H new ATOM 0 HH22 ARG B 47 26.661 15.264 21.483 1.00 1.62 H new ATOM 2078 N ILE B 48 28.217 24.495 24.006 1.00 0.10 N ATOM 2079 CA ILE B 48 28.638 25.890 23.684 1.00 0.09 C ATOM 2080 C ILE B 48 29.055 26.604 24.967 1.00 0.10 C ATOM 2081 O ILE B 48 30.155 27.108 25.078 1.00 0.10 O ATOM 2082 CB ILE B 48 27.472 26.614 23.017 1.00 0.10 C ATOM 2083 CG1 ILE B 48 26.987 25.763 21.837 1.00 0.10 C ATOM 2084 CG2 ILE B 48 27.943 27.977 22.512 1.00 0.10 C ATOM 2085 CD1 ILE B 48 25.912 26.512 21.054 1.00 0.10 C ATOM 0 H ILE B 48 27.350 24.195 23.561 1.00 0.10 H new ATOM 0 HA ILE B 48 29.489 25.882 23.003 1.00 0.09 H new ATOM 0 HB ILE B 48 26.660 26.761 23.729 1.00 0.10 H new ATOM 0 HG12 ILE B 48 27.825 25.525 21.182 1.00 0.10 H new ATOM 0 HG13 ILE B 48 26.589 24.816 22.201 1.00 0.10 H new ATOM 0 HG21 ILE B 48 27.111 28.496 22.035 1.00 0.10 H new ATOM 0 HG22 ILE B 48 28.307 28.570 23.351 1.00 0.10 H new ATOM 0 HG23 ILE B 48 28.747 27.839 21.789 1.00 0.10 H new ATOM 0 HD11 ILE B 48 25.576 25.898 20.219 1.00 0.10 H new ATOM 0 HD12 ILE B 48 25.068 26.727 21.709 1.00 0.10 H new ATOM 0 HD13 ILE B 48 26.324 27.447 20.674 1.00 0.10 H new ATOM 2097 N GLU B 49 28.200 26.631 25.946 1.00 0.10 N ATOM 2098 CA GLU B 49 28.565 27.290 27.232 1.00 0.11 C ATOM 2099 C GLU B 49 29.917 26.752 27.689 1.00 0.11 C ATOM 2100 O GLU B 49 30.882 27.479 27.816 1.00 0.12 O ATOM 2101 CB GLU B 49 27.531 26.932 28.290 1.00 0.13 C ATOM 2102 CG GLU B 49 26.224 27.685 28.028 1.00 0.14 C ATOM 2103 CD GLU B 49 25.307 27.552 29.245 1.00 0.16 C ATOM 2104 OE1 GLU B 49 24.628 26.544 29.343 1.00 1.10 O ATOM 2105 OE2 GLU B 49 25.299 28.462 30.058 1.00 1.07 O ATOM 0 H GLU B 49 27.264 26.226 25.914 1.00 0.10 H new ATOM 0 HA GLU B 49 28.605 28.370 27.094 1.00 0.11 H new ATOM 0 HB2 GLU B 49 27.348 25.857 28.281 1.00 0.13 H new ATOM 0 HB3 GLU B 49 27.911 27.183 29.280 1.00 0.13 H new ATOM 0 HG2 GLU B 49 26.431 28.736 27.828 1.00 0.14 H new ATOM 0 HG3 GLU B 49 25.732 27.283 27.142 1.00 0.14 H new ATOM 2112 N GLU B 50 29.992 25.468 27.916 1.00 0.12 N ATOM 2113 CA GLU B 50 31.280 24.857 28.343 1.00 0.12 C ATOM 2114 C GLU B 50 32.356 25.329 27.380 1.00 0.11 C ATOM 2115 O GLU B 50 33.526 25.313 27.677 1.00 0.11 O ATOM 2116 CB GLU B 50 31.172 23.331 28.294 1.00 0.14 C ATOM 2117 CG GLU B 50 32.486 22.710 28.774 1.00 0.17 C ATOM 2118 CD GLU B 50 32.283 21.214 29.021 1.00 1.14 C ATOM 2119 OE1 GLU B 50 31.154 20.764 28.915 1.00 1.97 O ATOM 2120 OE2 GLU B 50 33.260 20.544 29.312 1.00 1.78 O ATOM 0 H GLU B 50 29.213 24.816 27.823 1.00 0.12 H new ATOM 0 HA GLU B 50 31.524 25.152 29.363 1.00 0.12 H new ATOM 0 HB2 GLU B 50 30.347 22.994 28.922 1.00 0.14 H new ATOM 0 HB3 GLU B 50 30.953 23.004 27.278 1.00 0.14 H new ATOM 0 HG2 GLU B 50 33.267 22.864 28.029 1.00 0.17 H new ATOM 0 HG3 GLU B 50 32.818 23.199 29.690 1.00 0.17 H new ATOM 2127 N GLY B 51 31.948 25.767 26.225 1.00 0.10 N ATOM 2128 CA GLY B 51 32.936 26.269 25.223 1.00 0.09 C ATOM 2129 C GLY B 51 33.284 27.718 25.565 1.00 0.09 C ATOM 2130 O GLY B 51 34.427 28.057 25.799 1.00 0.10 O ATOM 0 H GLY B 51 30.973 25.801 25.927 1.00 0.10 H new ATOM 0 HA2 GLY B 51 33.834 25.651 25.235 1.00 0.09 H new ATOM 0 HA3 GLY B 51 32.520 26.207 24.217 1.00 0.09 H new ATOM 2134 N GLN B 52 32.295 28.571 25.614 1.00 0.10 N ATOM 2135 CA GLN B 52 32.545 30.002 25.963 1.00 0.11 C ATOM 2136 C GLN B 52 33.421 30.057 27.208 1.00 0.11 C ATOM 2137 O GLN B 52 34.401 30.772 27.267 1.00 0.13 O ATOM 2138 CB GLN B 52 31.208 30.690 26.251 1.00 0.13 C ATOM 2139 CG GLN B 52 30.282 30.529 25.044 1.00 0.19 C ATOM 2140 CD GLN B 52 30.766 31.427 23.907 1.00 0.54 C ATOM 2141 OE1 GLN B 52 30.204 31.334 22.734 1.00 1.37 O flip ATOM 2142 NE2 GLN B 52 31.667 32.222 24.087 1.00 0.74 N flip ATOM 0 H GLN B 52 31.320 28.338 25.427 1.00 0.10 H new ATOM 0 HA GLN B 52 33.044 30.508 25.136 1.00 0.11 H new ATOM 0 HB2 GLN B 52 30.747 30.255 27.138 1.00 0.13 H new ATOM 0 HB3 GLN B 52 31.369 31.747 26.461 1.00 0.13 H new ATOM 0 HG2 GLN B 52 30.268 29.489 24.719 1.00 0.19 H new ATOM 0 HG3 GLN B 52 29.260 30.791 25.319 1.00 0.19 H new ATOM 0 HE21 GLN B 52 32.107 32.295 25.004 1.00 0.74 H new ATOM 0 HE22 GLN B 52 31.983 32.816 23.321 1.00 0.74 H new ATOM 2151 N TYR B 53 33.072 29.294 28.199 1.00 0.11 N ATOM 2152 CA TYR B 53 33.882 29.280 29.448 1.00 0.13 C ATOM 2153 C TYR B 53 35.331 28.896 29.100 1.00 0.13 C ATOM 2154 O TYR B 53 36.271 29.473 29.609 1.00 0.16 O ATOM 2155 CB TYR B 53 33.264 28.275 30.444 1.00 0.14 C ATOM 2156 CG TYR B 53 34.282 27.848 31.484 1.00 0.17 C ATOM 2157 CD1 TYR B 53 35.260 26.916 31.140 1.00 0.17 C ATOM 2158 CD2 TYR B 53 34.248 28.377 32.779 1.00 0.22 C ATOM 2159 CE1 TYR B 53 36.210 26.507 32.072 1.00 0.22 C ATOM 2160 CE2 TYR B 53 35.199 27.966 33.725 1.00 0.26 C ATOM 2161 CZ TYR B 53 36.183 27.031 33.369 1.00 0.25 C ATOM 2162 OH TYR B 53 37.116 26.621 34.300 1.00 0.30 O ATOM 0 H TYR B 53 32.260 28.677 28.201 1.00 0.11 H new ATOM 0 HA TYR B 53 33.885 30.266 29.913 1.00 0.13 H new ATOM 0 HB2 TYR B 53 32.403 28.727 30.936 1.00 0.14 H new ATOM 0 HB3 TYR B 53 32.900 27.400 29.905 1.00 0.14 H new ATOM 0 HD1 TYR B 53 35.281 26.507 30.141 1.00 0.17 H new ATOM 0 HD2 TYR B 53 33.492 29.099 33.049 1.00 0.22 H new ATOM 0 HE1 TYR B 53 36.966 25.787 31.795 1.00 0.22 H new ATOM 0 HE2 TYR B 53 35.174 28.369 34.727 1.00 0.26 H new ATOM 0 HH TYR B 53 36.956 27.083 35.149 1.00 0.30 H new ATOM 2172 N VAL B 54 35.521 27.928 28.239 1.00 0.11 N ATOM 2173 CA VAL B 54 36.916 27.523 27.875 1.00 0.12 C ATOM 2174 C VAL B 54 37.631 28.710 27.232 1.00 0.12 C ATOM 2175 O VAL B 54 38.587 29.234 27.758 1.00 0.13 O ATOM 2176 CB VAL B 54 36.899 26.362 26.858 1.00 0.11 C ATOM 2177 CG1 VAL B 54 38.344 26.055 26.443 1.00 0.13 C ATOM 2178 CG2 VAL B 54 36.252 25.086 27.458 1.00 0.12 C ATOM 0 H VAL B 54 34.779 27.404 27.775 1.00 0.11 H new ATOM 0 HA VAL B 54 37.430 27.203 28.781 1.00 0.12 H new ATOM 0 HB VAL B 54 36.303 26.663 25.996 1.00 0.11 H new ATOM 0 HG11 VAL B 54 38.350 25.236 25.724 1.00 0.13 H new ATOM 0 HG12 VAL B 54 38.788 26.941 25.988 1.00 0.13 H new ATOM 0 HG13 VAL B 54 38.922 25.770 27.322 1.00 0.13 H new ATOM 0 HG21 VAL B 54 36.258 24.290 26.713 1.00 0.12 H new ATOM 0 HG22 VAL B 54 36.819 24.768 28.333 1.00 0.12 H new ATOM 0 HG23 VAL B 54 35.224 25.302 27.750 1.00 0.12 H new ATOM 2188 N VAL B 55 37.176 29.127 26.089 1.00 0.11 N ATOM 2189 CA VAL B 55 37.829 30.268 25.392 1.00 0.11 C ATOM 2190 C VAL B 55 37.943 31.461 26.344 1.00 0.14 C ATOM 2191 O VAL B 55 39.007 32.012 26.543 1.00 0.17 O ATOM 2192 CB VAL B 55 36.982 30.657 24.178 1.00 0.11 C ATOM 2193 CG1 VAL B 55 37.713 31.719 23.355 1.00 0.13 C ATOM 2194 CG2 VAL B 55 36.745 29.418 23.312 1.00 0.10 C ATOM 0 H VAL B 55 36.375 28.725 25.603 1.00 0.11 H new ATOM 0 HA VAL B 55 38.828 29.977 25.068 1.00 0.11 H new ATOM 0 HB VAL B 55 36.027 31.060 24.517 1.00 0.11 H new ATOM 0 HG11 VAL B 55 37.106 31.992 22.492 1.00 0.13 H new ATOM 0 HG12 VAL B 55 37.886 32.601 23.971 1.00 0.13 H new ATOM 0 HG13 VAL B 55 38.669 31.321 23.015 1.00 0.13 H new ATOM 0 HG21 VAL B 55 36.142 29.690 22.446 1.00 0.10 H new ATOM 0 HG22 VAL B 55 37.703 29.020 22.977 1.00 0.10 H new ATOM 0 HG23 VAL B 55 36.221 28.661 23.896 1.00 0.10 H new ATOM 2204 N ASN B 56 36.850 31.870 26.919 1.00 0.16 N ATOM 2205 CA ASN B 56 36.879 33.039 27.845 1.00 0.20 C ATOM 2206 C ASN B 56 37.818 32.772 29.028 1.00 0.22 C ATOM 2207 O ASN B 56 38.537 33.650 29.464 1.00 0.31 O ATOM 2208 CB ASN B 56 35.466 33.300 28.372 1.00 0.26 C ATOM 2209 CG ASN B 56 35.474 34.545 29.258 1.00 0.52 C ATOM 2210 OD1 ASN B 56 36.596 35.177 29.461 1.00 1.35 O flip ATOM 2211 ND2 ASN B 56 34.448 34.948 29.770 1.00 0.91 N flip ATOM 0 H ASN B 56 35.932 31.445 26.789 1.00 0.16 H new ATOM 0 HA ASN B 56 37.244 33.909 27.298 1.00 0.20 H new ATOM 0 HB2 ASN B 56 34.776 33.437 27.540 1.00 0.26 H new ATOM 0 HB3 ASN B 56 35.113 32.439 28.940 1.00 0.26 H new ATOM 0 HD21 ASN B 56 33.570 34.453 29.611 1.00 0.91 H new ATOM 0 HD22 ASN B 56 34.465 35.781 30.359 1.00 0.91 H new