USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=20 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 13 CYS SG : rot 180:sc= -2.57 USER MOD Set 1.2: B 27 MET CE :methyl 179:sc= 0 (180deg=-0.00162) USER MOD Set 2.1: B 22 TYR OH : rot -130:sc= -2.1! USER MOD Set 2.2: B 52 GLN : amide:sc= -4.82! C(o=-6.9!,f=-6.1!) USER MOD Set 3.1: A 19 LYS NZ :NH3+ -133:sc= -2.32 (180deg=-4.97!) USER MOD Set 3.2: A 45 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 35 LYS NZ :NH3+ 134:sc= -0.199 (180deg=-1.28!) USER MOD Set 5.1: A 22 TYR OH : rot -65:sc= -1.68! USER MOD Set 5.2: A 52 GLN : amide:sc= -3.52! C(o=-5.2!,f=-4.6!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot -66:sc= -1.74 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 143:sc= 0 (180deg=-0.939) USER MOD Single : A 30 MET CE :methyl 162:sc= 0 (180deg=-0.608) USER MOD Single : A 40 ASN : amide:sc= -3.85! K(o=-3.8!,f=-0.4) USER MOD Single : A 53 TYR OH : rot 141:sc= -2.54! USER MOD Single : A 56 ASN : amide:sc=-0.00968 X(o=-0.0097,f=-0.35) USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 14 GLN : amide:sc= -1.02 K(o=-1,f=0) USER MOD Single : B 15 LYS NZ :NH3+ 138:sc= -0.317 (180deg=-1.48!) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 MET CE :methyl -159:sc= -1.12 (180deg=-2.53) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.257) USER MOD Single : B 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 45 SER OG : rot 180:sc= 0 USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 56 ASN : amide:sc= -1.48! C(o=-1.5!,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 106 N PHE A 9 45.069 22.897 21.237 1.00 0.27 N ATOM 107 CA PHE A 9 43.643 22.803 20.805 1.00 0.25 C ATOM 108 C PHE A 9 43.251 24.085 20.066 1.00 0.25 C ATOM 109 O PHE A 9 42.606 24.046 19.037 1.00 0.36 O ATOM 110 CB PHE A 9 42.753 22.620 22.041 1.00 0.23 C ATOM 111 CG PHE A 9 41.421 22.047 21.624 1.00 0.19 C ATOM 112 CD1 PHE A 9 40.436 22.887 21.096 1.00 0.20 C ATOM 113 CD2 PHE A 9 41.175 20.676 21.760 1.00 0.19 C ATOM 114 CE1 PHE A 9 39.203 22.356 20.706 1.00 0.21 C ATOM 115 CE2 PHE A 9 39.942 20.145 21.368 1.00 0.19 C ATOM 116 CZ PHE A 9 38.957 20.987 20.841 1.00 0.20 C ATOM 0 HA PHE A 9 43.513 21.951 20.137 1.00 0.25 H new ATOM 0 HB2 PHE A 9 43.238 21.956 22.756 1.00 0.23 H new ATOM 0 HB3 PHE A 9 42.608 23.577 22.542 1.00 0.23 H new ATOM 0 HD1 PHE A 9 40.627 23.945 20.990 1.00 0.20 H new ATOM 0 HD2 PHE A 9 41.937 20.028 22.168 1.00 0.19 H new ATOM 0 HE1 PHE A 9 38.440 23.004 20.300 1.00 0.21 H new ATOM 0 HE2 PHE A 9 39.751 19.087 21.472 1.00 0.19 H new ATOM 0 HZ PHE A 9 38.004 20.578 20.538 1.00 0.20 H new ATOM 126 N LEU A 10 43.644 25.218 20.577 1.00 0.21 N ATOM 127 CA LEU A 10 43.301 26.495 19.893 1.00 0.21 C ATOM 128 C LEU A 10 44.009 26.537 18.539 1.00 0.22 C ATOM 129 O LEU A 10 43.524 27.118 17.590 1.00 0.27 O ATOM 130 CB LEU A 10 43.763 27.678 20.742 1.00 0.24 C ATOM 131 CG LEU A 10 43.193 27.566 22.160 1.00 0.27 C ATOM 132 CD1 LEU A 10 43.868 28.609 23.039 1.00 0.31 C ATOM 133 CD2 LEU A 10 41.681 27.826 22.151 1.00 0.28 C ATOM 0 H LEU A 10 44.186 25.315 21.436 1.00 0.21 H new ATOM 0 HA LEU A 10 42.222 26.556 19.753 1.00 0.21 H new ATOM 0 HB2 LEU A 10 44.852 27.704 20.781 1.00 0.24 H new ATOM 0 HB3 LEU A 10 43.438 28.612 20.284 1.00 0.24 H new ATOM 0 HG LEU A 10 43.377 26.562 22.543 1.00 0.27 H new ATOM 0 HD11 LEU A 10 43.472 28.542 24.052 1.00 0.31 H new ATOM 0 HD12 LEU A 10 44.943 28.430 23.056 1.00 0.31 H new ATOM 0 HD13 LEU A 10 43.673 29.604 22.639 1.00 0.31 H new ATOM 0 HD21 LEU A 10 41.291 27.743 23.166 1.00 0.28 H new ATOM 0 HD22 LEU A 10 41.486 28.828 21.769 1.00 0.28 H new ATOM 0 HD23 LEU A 10 41.189 27.092 21.512 1.00 0.28 H new ATOM 145 N ASP A 11 45.154 25.919 18.440 1.00 0.21 N ATOM 146 CA ASP A 11 45.882 25.920 17.143 1.00 0.23 C ATOM 147 C ASP A 11 44.980 25.300 16.076 1.00 0.20 C ATOM 148 O ASP A 11 44.658 25.921 15.083 1.00 0.29 O ATOM 149 CB ASP A 11 47.168 25.101 17.273 1.00 0.27 C ATOM 150 CG ASP A 11 48.084 25.397 16.084 1.00 1.08 C ATOM 151 OD1 ASP A 11 48.545 26.522 15.982 1.00 1.64 O ATOM 152 OD2 ASP A 11 48.306 24.494 15.294 1.00 1.92 O ATOM 0 H ASP A 11 45.614 25.416 19.199 1.00 0.21 H new ATOM 0 HA ASP A 11 46.141 26.941 16.862 1.00 0.23 H new ATOM 0 HB2 ASP A 11 47.675 25.346 18.206 1.00 0.27 H new ATOM 0 HB3 ASP A 11 46.932 24.037 17.308 1.00 0.27 H new ATOM 157 N TYR A 12 44.561 24.079 16.278 1.00 0.14 N ATOM 158 CA TYR A 12 43.673 23.424 15.282 1.00 0.12 C ATOM 159 C TYR A 12 42.512 24.361 14.949 1.00 0.11 C ATOM 160 O TYR A 12 42.193 24.592 13.800 1.00 0.15 O ATOM 161 CB TYR A 12 43.128 22.115 15.870 1.00 0.12 C ATOM 162 CG TYR A 12 44.253 21.107 16.008 1.00 0.16 C ATOM 163 CD1 TYR A 12 44.932 20.651 14.871 1.00 0.22 C ATOM 164 CD2 TYR A 12 44.617 20.626 17.272 1.00 0.20 C ATOM 165 CE1 TYR A 12 45.970 19.719 14.998 1.00 0.28 C ATOM 166 CE2 TYR A 12 45.654 19.695 17.400 1.00 0.27 C ATOM 167 CZ TYR A 12 46.331 19.242 16.263 1.00 0.30 C ATOM 168 OH TYR A 12 47.353 18.323 16.387 1.00 0.37 O ATOM 0 H TYR A 12 44.797 23.509 17.091 1.00 0.14 H new ATOM 0 HA TYR A 12 44.235 23.206 14.374 1.00 0.12 H new ATOM 0 HB2 TYR A 12 42.675 22.304 16.843 1.00 0.12 H new ATOM 0 HB3 TYR A 12 42.345 21.714 15.226 1.00 0.12 H new ATOM 0 HD1 TYR A 12 44.655 21.019 13.894 1.00 0.22 H new ATOM 0 HD2 TYR A 12 44.096 20.975 18.151 1.00 0.20 H new ATOM 0 HE1 TYR A 12 46.492 19.369 14.120 1.00 0.28 H new ATOM 0 HE2 TYR A 12 45.931 19.326 18.376 1.00 0.27 H new ATOM 0 HH TYR A 12 47.477 18.097 17.333 1.00 0.37 H new ATOM 178 N CYS A 13 41.882 24.908 15.948 1.00 0.12 N ATOM 179 CA CYS A 13 40.748 25.837 15.700 1.00 0.15 C ATOM 180 C CYS A 13 41.188 26.914 14.710 1.00 0.16 C ATOM 181 O CYS A 13 40.497 27.217 13.758 1.00 0.19 O ATOM 182 CB CYS A 13 40.330 26.495 17.016 1.00 0.19 C ATOM 183 SG CYS A 13 39.510 25.277 18.072 1.00 1.38 S ATOM 0 H CYS A 13 42.105 24.751 16.931 1.00 0.12 H new ATOM 0 HA CYS A 13 39.904 25.283 15.289 1.00 0.15 H new ATOM 0 HB2 CYS A 13 41.204 26.902 17.524 1.00 0.19 H new ATOM 0 HB3 CYS A 13 39.659 27.331 16.819 1.00 0.19 H new ATOM 0 HG CYS A 13 38.390 24.911 17.523 1.00 1.38 H new ATOM 189 N GLN A 14 42.340 27.490 14.924 1.00 0.17 N ATOM 190 CA GLN A 14 42.832 28.544 13.994 1.00 0.21 C ATOM 191 C GLN A 14 42.686 28.049 12.555 1.00 0.21 C ATOM 192 O GLN A 14 42.120 28.717 11.712 1.00 0.28 O ATOM 193 CB GLN A 14 44.304 28.837 14.289 1.00 0.25 C ATOM 194 CG GLN A 14 44.741 30.081 13.515 1.00 0.64 C ATOM 195 CD GLN A 14 46.213 30.375 13.811 1.00 0.78 C ATOM 196 OE1 GLN A 14 47.092 29.694 13.322 1.00 1.68 O ATOM 197 NE2 GLN A 14 46.521 31.370 14.599 1.00 1.31 N ATOM 0 H GLN A 14 42.962 27.275 15.704 1.00 0.17 H new ATOM 0 HA GLN A 14 42.250 29.456 14.129 1.00 0.21 H new ATOM 0 HB2 GLN A 14 44.448 28.992 15.358 1.00 0.25 H new ATOM 0 HB3 GLN A 14 44.920 27.984 14.005 1.00 0.25 H new ATOM 0 HG2 GLN A 14 44.598 29.926 12.446 1.00 0.64 H new ATOM 0 HG3 GLN A 14 44.125 30.934 13.799 1.00 0.64 H new ATOM 0 HE21 GLN A 14 45.783 31.942 15.010 1.00 1.31 H new ATOM 0 HE22 GLN A 14 47.499 31.575 14.803 1.00 1.31 H new ATOM 206 N LYS A 15 43.180 26.875 12.270 1.00 0.20 N ATOM 207 CA LYS A 15 43.055 26.335 10.890 1.00 0.22 C ATOM 208 C LYS A 15 41.577 26.338 10.496 1.00 0.19 C ATOM 209 O LYS A 15 41.200 26.820 9.446 1.00 0.22 O ATOM 210 CB LYS A 15 43.595 24.904 10.852 1.00 0.25 C ATOM 211 CG LYS A 15 45.131 24.926 10.893 1.00 0.57 C ATOM 212 CD LYS A 15 45.702 23.493 10.678 1.00 1.16 C ATOM 213 CE LYS A 15 46.499 23.034 11.907 1.00 1.52 C ATOM 214 NZ LYS A 15 47.799 23.761 11.959 1.00 2.24 N ATOM 0 H LYS A 15 43.663 26.269 12.933 1.00 0.20 H new ATOM 0 HA LYS A 15 43.626 26.950 10.194 1.00 0.22 H new ATOM 0 HB2 LYS A 15 43.208 24.337 11.698 1.00 0.25 H new ATOM 0 HB3 LYS A 15 43.253 24.401 9.948 1.00 0.25 H new ATOM 0 HG2 LYS A 15 45.512 25.595 10.122 1.00 0.57 H new ATOM 0 HG3 LYS A 15 45.470 25.319 11.852 1.00 0.57 H new ATOM 0 HD2 LYS A 15 44.886 22.796 10.487 1.00 1.16 H new ATOM 0 HD3 LYS A 15 46.344 23.481 9.797 1.00 1.16 H new ATOM 0 HE2 LYS A 15 45.928 23.224 12.816 1.00 1.52 H new ATOM 0 HE3 LYS A 15 46.673 21.959 11.859 1.00 1.52 H new ATOM 0 HZ1 LYS A 15 48.338 23.449 12.792 1.00 2.24 H new ATOM 0 HZ2 LYS A 15 48.345 23.558 11.097 1.00 2.24 H new ATOM 0 HZ3 LYS A 15 47.622 24.784 12.024 1.00 2.24 H new ATOM 228 N LEU A 16 40.735 25.810 11.341 1.00 0.15 N ATOM 229 CA LEU A 16 39.277 25.788 11.037 1.00 0.13 C ATOM 230 C LEU A 16 38.791 27.233 10.861 1.00 0.13 C ATOM 231 O LEU A 16 37.809 27.497 10.196 1.00 0.17 O ATOM 232 CB LEU A 16 38.539 25.106 12.221 1.00 0.11 C ATOM 233 CG LEU A 16 37.550 24.042 11.713 1.00 0.14 C ATOM 234 CD1 LEU A 16 38.312 22.837 11.112 1.00 0.26 C ATOM 235 CD2 LEU A 16 36.666 23.581 12.883 1.00 0.17 C ATOM 0 H LEU A 16 40.996 25.391 12.233 1.00 0.15 H new ATOM 0 HA LEU A 16 39.076 25.232 10.121 1.00 0.13 H new ATOM 0 HB2 LEU A 16 39.265 24.643 12.889 1.00 0.11 H new ATOM 0 HB3 LEU A 16 38.004 25.857 12.802 1.00 0.11 H new ATOM 0 HG LEU A 16 36.926 24.473 10.930 1.00 0.14 H new ATOM 0 HD11 LEU A 16 37.597 22.094 10.758 1.00 0.26 H new ATOM 0 HD12 LEU A 16 38.927 23.175 10.278 1.00 0.26 H new ATOM 0 HD13 LEU A 16 38.949 22.392 11.876 1.00 0.26 H new ATOM 0 HD21 LEU A 16 35.962 22.827 12.532 1.00 0.17 H new ATOM 0 HD22 LEU A 16 37.293 23.156 13.667 1.00 0.17 H new ATOM 0 HD23 LEU A 16 36.116 24.434 13.281 1.00 0.17 H new ATOM 247 N LEU A 17 39.473 28.163 11.469 1.00 0.12 N ATOM 248 CA LEU A 17 39.068 29.592 11.369 1.00 0.13 C ATOM 249 C LEU A 17 39.612 30.215 10.077 1.00 0.15 C ATOM 250 O LEU A 17 38.884 30.814 9.312 1.00 0.22 O ATOM 251 CB LEU A 17 39.639 30.343 12.581 1.00 0.12 C ATOM 252 CG LEU A 17 38.864 31.657 12.814 1.00 0.12 C ATOM 253 CD1 LEU A 17 37.616 31.390 13.664 1.00 0.12 C ATOM 254 CD2 LEU A 17 39.752 32.664 13.553 1.00 0.13 C ATOM 0 H LEU A 17 40.303 27.991 12.037 1.00 0.12 H new ATOM 0 HA LEU A 17 37.980 29.663 11.354 1.00 0.13 H new ATOM 0 HB2 LEU A 17 39.576 29.714 13.469 1.00 0.12 H new ATOM 0 HB3 LEU A 17 40.695 30.560 12.418 1.00 0.12 H new ATOM 0 HG LEU A 17 38.571 32.060 11.845 1.00 0.12 H new ATOM 0 HD11 LEU A 17 37.077 32.324 13.822 1.00 0.12 H new ATOM 0 HD12 LEU A 17 36.969 30.681 13.148 1.00 0.12 H new ATOM 0 HD13 LEU A 17 37.914 30.975 14.627 1.00 0.12 H new ATOM 0 HD21 LEU A 17 39.198 33.589 13.714 1.00 0.13 H new ATOM 0 HD22 LEU A 17 40.051 32.248 14.515 1.00 0.13 H new ATOM 0 HD23 LEU A 17 40.640 32.872 12.956 1.00 0.13 H new ATOM 266 N GLU A 18 40.889 30.098 9.841 1.00 0.20 N ATOM 267 CA GLU A 18 41.480 30.704 8.614 1.00 0.25 C ATOM 268 C GLU A 18 40.917 30.028 7.356 1.00 0.21 C ATOM 269 O GLU A 18 40.766 30.654 6.325 1.00 0.25 O ATOM 270 CB GLU A 18 43.009 30.555 8.661 1.00 0.32 C ATOM 271 CG GLU A 18 43.427 29.129 8.264 1.00 1.41 C ATOM 272 CD GLU A 18 44.817 28.816 8.826 1.00 2.13 C ATOM 273 OE1 GLU A 18 45.021 29.042 10.008 1.00 2.77 O ATOM 274 OE2 GLU A 18 45.652 28.356 8.065 1.00 2.62 O ATOM 0 H GLU A 18 41.550 29.609 10.445 1.00 0.20 H new ATOM 0 HA GLU A 18 41.220 31.762 8.576 1.00 0.25 H new ATOM 0 HB2 GLU A 18 43.471 31.276 7.987 1.00 0.32 H new ATOM 0 HB3 GLU A 18 43.371 30.780 9.664 1.00 0.32 H new ATOM 0 HG2 GLU A 18 42.702 28.409 8.644 1.00 1.41 H new ATOM 0 HG3 GLU A 18 43.434 29.032 7.178 1.00 1.41 H new ATOM 281 N LYS A 19 40.608 28.761 7.424 1.00 0.20 N ATOM 282 CA LYS A 19 40.067 28.071 6.229 1.00 0.20 C ATOM 283 C LYS A 19 38.701 28.669 5.882 1.00 0.18 C ATOM 284 O LYS A 19 38.458 29.078 4.764 1.00 0.24 O ATOM 285 CB LYS A 19 39.933 26.576 6.548 1.00 0.22 C ATOM 286 CG LYS A 19 41.232 25.851 6.184 1.00 0.30 C ATOM 287 CD LYS A 19 41.250 24.468 6.833 1.00 0.37 C ATOM 288 CE LYS A 19 40.125 23.602 6.254 1.00 0.92 C ATOM 289 NZ LYS A 19 38.835 23.956 6.913 1.00 1.77 N ATOM 0 H LYS A 19 40.708 28.179 8.256 1.00 0.20 H new ATOM 0 HA LYS A 19 40.733 28.199 5.376 1.00 0.20 H new ATOM 0 HB2 LYS A 19 39.713 26.439 7.607 1.00 0.22 H new ATOM 0 HB3 LYS A 19 39.099 26.149 5.991 1.00 0.22 H new ATOM 0 HG2 LYS A 19 41.316 25.756 5.101 1.00 0.30 H new ATOM 0 HG3 LYS A 19 42.091 26.432 6.520 1.00 0.30 H new ATOM 0 HD2 LYS A 19 42.214 23.989 6.661 1.00 0.37 H new ATOM 0 HD3 LYS A 19 41.129 24.562 7.912 1.00 0.37 H new ATOM 0 HE2 LYS A 19 40.050 23.757 5.178 1.00 0.92 H new ATOM 0 HE3 LYS A 19 40.347 22.546 6.410 1.00 0.92 H new ATOM 0 HZ1 LYS A 19 38.341 23.087 7.198 1.00 1.77 H new ATOM 0 HZ2 LYS A 19 39.023 24.539 7.754 1.00 1.77 H new ATOM 0 HZ3 LYS A 19 38.240 24.490 6.248 1.00 1.77 H new ATOM 303 N PHE A 20 37.816 28.737 6.835 1.00 0.16 N ATOM 304 CA PHE A 20 36.480 29.323 6.566 1.00 0.16 C ATOM 305 C PHE A 20 36.604 30.845 6.647 1.00 0.19 C ATOM 306 O PHE A 20 35.632 31.570 6.573 1.00 0.30 O ATOM 307 CB PHE A 20 35.498 28.817 7.619 1.00 0.14 C ATOM 308 CG PHE A 20 35.134 27.380 7.315 1.00 0.13 C ATOM 309 CD1 PHE A 20 36.051 26.361 7.599 1.00 0.13 C ATOM 310 CD2 PHE A 20 33.891 27.065 6.744 1.00 0.13 C ATOM 311 CE1 PHE A 20 35.728 25.029 7.317 1.00 0.12 C ATOM 312 CE2 PHE A 20 33.571 25.731 6.462 1.00 0.13 C ATOM 313 CZ PHE A 20 34.490 24.715 6.748 1.00 0.12 C ATOM 0 H PHE A 20 37.963 28.411 7.790 1.00 0.16 H new ATOM 0 HA PHE A 20 36.119 29.036 5.579 1.00 0.16 H new ATOM 0 HB2 PHE A 20 35.942 28.889 8.612 1.00 0.14 H new ATOM 0 HB3 PHE A 20 34.602 29.438 7.625 1.00 0.14 H new ATOM 0 HD1 PHE A 20 37.008 26.603 8.036 1.00 0.13 H new ATOM 0 HD2 PHE A 20 33.183 27.850 6.523 1.00 0.13 H new ATOM 0 HE1 PHE A 20 36.435 24.243 7.539 1.00 0.12 H new ATOM 0 HE2 PHE A 20 32.615 25.486 6.024 1.00 0.13 H new ATOM 0 HZ PHE A 20 34.243 23.687 6.529 1.00 0.12 H new ATOM 323 N ARG A 21 37.811 31.324 6.787 1.00 0.18 N ATOM 324 CA ARG A 21 38.043 32.795 6.864 1.00 0.21 C ATOM 325 C ARG A 21 37.078 33.444 7.863 1.00 0.18 C ATOM 326 O ARG A 21 36.543 34.505 7.612 1.00 0.19 O ATOM 327 CB ARG A 21 37.830 33.413 5.476 1.00 0.29 C ATOM 328 CG ARG A 21 39.013 33.063 4.550 1.00 0.65 C ATOM 329 CD ARG A 21 40.130 34.105 4.698 1.00 1.12 C ATOM 330 NE ARG A 21 39.625 35.437 4.258 1.00 1.93 N ATOM 331 CZ ARG A 21 40.291 36.519 4.557 1.00 2.67 C ATOM 332 NH1 ARG A 21 41.401 36.434 5.238 1.00 2.95 N ATOM 333 NH2 ARG A 21 39.847 37.685 4.174 1.00 3.64 N ATOM 0 H ARG A 21 38.654 30.753 6.852 1.00 0.18 H new ATOM 0 HA ARG A 21 39.064 32.972 7.201 1.00 0.21 H new ATOM 0 HB2 ARG A 21 36.899 33.044 5.045 1.00 0.29 H new ATOM 0 HB3 ARG A 21 37.734 34.495 5.563 1.00 0.29 H new ATOM 0 HG2 ARG A 21 39.395 32.072 4.796 1.00 0.65 H new ATOM 0 HG3 ARG A 21 38.675 33.027 3.514 1.00 0.65 H new ATOM 0 HD2 ARG A 21 40.462 34.154 5.735 1.00 1.12 H new ATOM 0 HD3 ARG A 21 40.994 33.816 4.100 1.00 1.12 H new ATOM 0 HE ARG A 21 38.759 35.503 3.723 1.00 1.93 H new ATOM 0 HH11 ARG A 21 41.748 35.522 5.536 1.00 2.95 H new ATOM 0 HH12 ARG A 21 41.922 37.279 5.472 1.00 2.95 H new ATOM 0 HH21 ARG A 21 38.980 37.751 3.641 1.00 3.64 H new ATOM 0 HH22 ARG A 21 40.367 38.531 4.408 1.00 3.64 H new ATOM 347 N TYR A 22 36.855 32.832 8.998 1.00 0.15 N ATOM 348 CA TYR A 22 35.929 33.445 9.998 1.00 0.13 C ATOM 349 C TYR A 22 36.724 34.476 10.842 1.00 0.14 C ATOM 350 O TYR A 22 37.911 34.301 11.036 1.00 0.15 O ATOM 351 CB TYR A 22 35.392 32.350 10.940 1.00 0.11 C ATOM 352 CG TYR A 22 34.185 31.628 10.347 1.00 0.11 C ATOM 353 CD1 TYR A 22 33.046 32.339 9.917 1.00 0.12 C ATOM 354 CD2 TYR A 22 34.203 30.227 10.242 1.00 0.11 C ATOM 355 CE1 TYR A 22 31.948 31.649 9.389 1.00 0.13 C ATOM 356 CE2 TYR A 22 33.101 29.545 9.714 1.00 0.12 C ATOM 357 CZ TYR A 22 31.975 30.255 9.288 1.00 0.13 C ATOM 358 OH TYR A 22 30.890 29.580 8.767 1.00 0.15 O ATOM 0 H TYR A 22 37.270 31.942 9.274 1.00 0.15 H new ATOM 0 HA TYR A 22 35.099 33.928 9.483 1.00 0.13 H new ATOM 0 HB2 TYR A 22 36.182 31.628 11.144 1.00 0.11 H new ATOM 0 HB3 TYR A 22 35.114 32.797 11.895 1.00 0.11 H new ATOM 0 HD1 TYR A 22 33.020 33.416 9.995 1.00 0.12 H new ATOM 0 HD2 TYR A 22 35.071 29.674 10.570 1.00 0.11 H new ATOM 0 HE1 TYR A 22 31.077 32.196 9.059 1.00 0.13 H new ATOM 0 HE2 TYR A 22 33.121 28.468 9.636 1.00 0.12 H new ATOM 0 HH TYR A 22 30.117 29.696 9.359 1.00 0.15 H new ATOM 368 N PRO A 23 36.061 35.505 11.349 1.00 0.14 N ATOM 369 CA PRO A 23 36.732 36.516 12.194 1.00 0.16 C ATOM 370 C PRO A 23 37.282 35.855 13.471 1.00 0.16 C ATOM 371 O PRO A 23 37.103 34.676 13.702 1.00 0.15 O ATOM 372 CB PRO A 23 35.636 37.552 12.531 1.00 0.17 C ATOM 373 CG PRO A 23 34.293 37.000 11.980 1.00 0.15 C ATOM 374 CD PRO A 23 34.621 35.755 11.127 1.00 0.14 C ATOM 0 HA PRO A 23 37.580 36.982 11.693 1.00 0.16 H new ATOM 0 HB2 PRO A 23 35.574 37.709 13.608 1.00 0.17 H new ATOM 0 HB3 PRO A 23 35.868 38.517 12.081 1.00 0.17 H new ATOM 0 HG2 PRO A 23 33.621 36.739 12.798 1.00 0.15 H new ATOM 0 HG3 PRO A 23 33.786 37.754 11.379 1.00 0.15 H new ATOM 0 HD2 PRO A 23 34.020 34.898 11.433 1.00 0.14 H new ATOM 0 HD3 PRO A 23 34.410 35.933 10.073 1.00 0.14 H new ATOM 382 N TRP A 24 37.958 36.615 14.290 1.00 0.18 N ATOM 383 CA TRP A 24 38.540 36.055 15.550 1.00 0.19 C ATOM 384 C TRP A 24 37.467 35.928 16.641 1.00 0.19 C ATOM 385 O TRP A 24 37.675 35.278 17.646 1.00 0.21 O ATOM 386 CB TRP A 24 39.652 36.985 16.042 1.00 0.21 C ATOM 387 CG TRP A 24 40.206 36.464 17.330 1.00 0.28 C ATOM 388 CD1 TRP A 24 39.884 36.931 18.558 1.00 0.34 C ATOM 389 CD2 TRP A 24 41.170 35.391 17.539 1.00 0.33 C ATOM 390 NE1 TRP A 24 40.589 36.213 19.508 1.00 0.42 N ATOM 391 CE2 TRP A 24 41.395 35.253 18.929 1.00 0.42 C ATOM 392 CE3 TRP A 24 41.864 34.533 16.666 1.00 0.35 C ATOM 393 CZ2 TRP A 24 42.277 34.297 19.436 1.00 0.50 C ATOM 394 CZ3 TRP A 24 42.752 33.570 17.173 1.00 0.45 C ATOM 395 CH2 TRP A 24 42.958 33.453 18.555 1.00 0.52 C ATOM 0 H TRP A 24 38.135 37.608 14.141 1.00 0.18 H new ATOM 0 HA TRP A 24 38.939 35.063 15.340 1.00 0.19 H new ATOM 0 HB2 TRP A 24 40.442 37.051 15.294 1.00 0.21 H new ATOM 0 HB3 TRP A 24 39.262 37.993 16.183 1.00 0.21 H new ATOM 0 HD1 TRP A 24 39.190 37.733 18.763 1.00 0.34 H new ATOM 0 HE1 TRP A 24 40.521 36.373 20.513 1.00 0.42 H new ATOM 0 HE3 TRP A 24 41.713 34.615 15.600 1.00 0.35 H new ATOM 0 HZ2 TRP A 24 42.432 34.210 20.501 1.00 0.50 H new ATOM 0 HZ3 TRP A 24 43.279 32.916 16.494 1.00 0.45 H new ATOM 0 HH2 TRP A 24 43.643 32.711 18.938 1.00 0.52 H new ATOM 406 N GLU A 25 36.336 36.553 16.471 1.00 0.18 N ATOM 407 CA GLU A 25 35.278 36.471 17.524 1.00 0.21 C ATOM 408 C GLU A 25 34.598 35.096 17.506 1.00 0.17 C ATOM 409 O GLU A 25 33.994 34.684 18.476 1.00 0.20 O ATOM 410 CB GLU A 25 34.223 37.564 17.279 1.00 0.29 C ATOM 411 CG GLU A 25 34.893 38.813 16.707 1.00 1.15 C ATOM 412 CD GLU A 25 36.081 39.215 17.586 1.00 1.55 C ATOM 413 OE1 GLU A 25 35.846 39.759 18.652 1.00 1.97 O ATOM 414 OE2 GLU A 25 37.204 38.970 17.177 1.00 2.18 O ATOM 0 H GLU A 25 36.096 37.115 15.654 1.00 0.18 H new ATOM 0 HA GLU A 25 35.746 36.617 18.497 1.00 0.21 H new ATOM 0 HB2 GLU A 25 33.463 37.200 16.588 1.00 0.29 H new ATOM 0 HB3 GLU A 25 33.715 37.808 18.212 1.00 0.29 H new ATOM 0 HG2 GLU A 25 35.231 38.621 15.689 1.00 1.15 H new ATOM 0 HG3 GLU A 25 34.174 39.631 16.655 1.00 1.15 H new ATOM 421 N LEU A 26 34.665 34.392 16.408 1.00 0.13 N ATOM 422 CA LEU A 26 33.992 33.058 16.334 1.00 0.11 C ATOM 423 C LEU A 26 34.936 31.946 16.790 1.00 0.10 C ATOM 424 O LEU A 26 34.818 30.813 16.369 1.00 0.11 O ATOM 425 CB LEU A 26 33.554 32.794 14.894 1.00 0.10 C ATOM 426 CG LEU A 26 32.929 34.060 14.302 1.00 0.10 C ATOM 427 CD1 LEU A 26 32.235 33.703 12.992 1.00 0.11 C ATOM 428 CD2 LEU A 26 31.898 34.648 15.274 1.00 0.12 C ATOM 0 H LEU A 26 35.154 34.680 15.561 1.00 0.13 H new ATOM 0 HA LEU A 26 33.125 33.068 16.994 1.00 0.11 H new ATOM 0 HB2 LEU A 26 34.410 32.486 14.294 1.00 0.10 H new ATOM 0 HB3 LEU A 26 32.835 31.975 14.867 1.00 0.10 H new ATOM 0 HG LEU A 26 33.712 34.798 14.127 1.00 0.10 H new ATOM 0 HD11 LEU A 26 31.786 34.599 12.562 1.00 0.11 H new ATOM 0 HD12 LEU A 26 32.964 33.292 12.294 1.00 0.11 H new ATOM 0 HD13 LEU A 26 31.457 32.963 13.182 1.00 0.11 H new ATOM 0 HD21 LEU A 26 31.461 35.548 14.841 1.00 0.12 H new ATOM 0 HD22 LEU A 26 31.112 33.915 15.458 1.00 0.12 H new ATOM 0 HD23 LEU A 26 32.387 34.899 16.215 1.00 0.12 H new ATOM 440 N MET A 27 35.861 32.248 17.656 1.00 0.12 N ATOM 441 CA MET A 27 36.785 31.193 18.134 1.00 0.13 C ATOM 442 C MET A 27 36.046 30.203 19.075 1.00 0.11 C ATOM 443 O MET A 27 36.315 29.020 19.011 1.00 0.13 O ATOM 444 CB MET A 27 37.987 31.848 18.852 1.00 0.18 C ATOM 445 CG MET A 27 39.129 32.083 17.858 1.00 0.19 C ATOM 446 SD MET A 27 39.835 30.493 17.364 1.00 1.17 S ATOM 447 CE MET A 27 40.998 30.328 18.739 1.00 0.31 C ATOM 0 H MET A 27 36.014 33.176 18.050 1.00 0.12 H new ATOM 0 HA MET A 27 37.153 30.624 17.280 1.00 0.13 H new ATOM 0 HB2 MET A 27 37.682 32.795 19.298 1.00 0.18 H new ATOM 0 HB3 MET A 27 38.328 31.207 19.665 1.00 0.18 H new ATOM 0 HG2 MET A 27 38.759 32.617 16.982 1.00 0.19 H new ATOM 0 HG3 MET A 27 39.897 32.709 18.312 1.00 0.19 H new ATOM 0 HE1 MET A 27 41.057 29.283 19.042 1.00 0.31 H new ATOM 0 HE2 MET A 27 41.984 30.671 18.425 1.00 0.31 H new ATOM 0 HE3 MET A 27 40.655 30.931 19.580 1.00 0.31 H new ATOM 457 N PRO A 28 35.143 30.679 19.927 1.00 0.10 N ATOM 458 CA PRO A 28 34.414 29.778 20.847 1.00 0.09 C ATOM 459 C PRO A 28 33.646 28.700 20.069 1.00 0.10 C ATOM 460 O PRO A 28 33.368 27.641 20.585 1.00 0.19 O ATOM 461 CB PRO A 28 33.455 30.702 21.632 1.00 0.09 C ATOM 462 CG PRO A 28 33.893 32.158 21.331 1.00 0.11 C ATOM 463 CD PRO A 28 34.774 32.109 20.068 1.00 0.11 C ATOM 0 HA PRO A 28 35.087 29.237 21.512 1.00 0.09 H new ATOM 0 HB2 PRO A 28 32.422 30.538 21.326 1.00 0.09 H new ATOM 0 HB3 PRO A 28 33.507 30.495 22.701 1.00 0.09 H new ATOM 0 HG2 PRO A 28 33.025 32.797 21.171 1.00 0.11 H new ATOM 0 HG3 PRO A 28 34.446 32.576 22.172 1.00 0.11 H new ATOM 0 HD2 PRO A 28 34.233 32.467 19.192 1.00 0.11 H new ATOM 0 HD3 PRO A 28 35.658 32.738 20.176 1.00 0.11 H new ATOM 471 N LEU A 29 33.299 28.951 18.837 1.00 0.11 N ATOM 472 CA LEU A 29 32.556 27.916 18.060 1.00 0.09 C ATOM 473 C LEU A 29 33.556 26.914 17.489 1.00 0.10 C ATOM 474 O LEU A 29 33.424 25.721 17.677 1.00 0.19 O ATOM 475 CB LEU A 29 31.766 28.583 16.934 1.00 0.08 C ATOM 476 CG LEU A 29 30.882 29.693 17.517 1.00 0.08 C ATOM 477 CD1 LEU A 29 30.226 30.468 16.373 1.00 0.09 C ATOM 478 CD2 LEU A 29 29.792 29.079 18.409 1.00 0.08 C ATOM 0 H LEU A 29 33.495 29.819 18.337 1.00 0.11 H new ATOM 0 HA LEU A 29 31.854 27.394 18.711 1.00 0.09 H new ATOM 0 HB2 LEU A 29 32.449 28.999 16.193 1.00 0.08 H new ATOM 0 HB3 LEU A 29 31.150 27.845 16.421 1.00 0.08 H new ATOM 0 HG LEU A 29 31.496 30.366 18.115 1.00 0.08 H new ATOM 0 HD11 LEU A 29 29.597 31.258 16.783 1.00 0.09 H new ATOM 0 HD12 LEU A 29 30.998 30.909 15.743 1.00 0.09 H new ATOM 0 HD13 LEU A 29 29.615 29.790 15.777 1.00 0.09 H new ATOM 0 HD21 LEU A 29 29.168 29.873 18.820 1.00 0.08 H new ATOM 0 HD22 LEU A 29 29.176 28.403 17.817 1.00 0.08 H new ATOM 0 HD23 LEU A 29 30.258 28.525 19.224 1.00 0.08 H new ATOM 490 N MET A 30 34.572 27.380 16.819 1.00 0.10 N ATOM 491 CA MET A 30 35.582 26.437 16.279 1.00 0.12 C ATOM 492 C MET A 30 36.118 25.608 17.446 1.00 0.10 C ATOM 493 O MET A 30 36.708 24.560 17.269 1.00 0.11 O ATOM 494 CB MET A 30 36.728 27.225 15.643 1.00 0.16 C ATOM 495 CG MET A 30 36.207 28.067 14.481 1.00 0.19 C ATOM 496 SD MET A 30 35.559 26.981 13.183 1.00 1.16 S ATOM 497 CE MET A 30 34.014 27.870 12.874 1.00 0.20 C ATOM 0 H MET A 30 34.744 28.366 16.624 1.00 0.10 H new ATOM 0 HA MET A 30 35.137 25.790 15.523 1.00 0.12 H new ATOM 0 HB2 MET A 30 37.194 27.869 16.389 1.00 0.16 H new ATOM 0 HB3 MET A 30 37.498 26.540 15.289 1.00 0.16 H new ATOM 0 HG2 MET A 30 35.424 28.741 14.830 1.00 0.19 H new ATOM 0 HG3 MET A 30 37.008 28.689 14.082 1.00 0.19 H new ATOM 0 HE1 MET A 30 33.608 27.570 11.908 1.00 0.20 H new ATOM 0 HE2 MET A 30 33.295 27.634 13.659 1.00 0.20 H new ATOM 0 HE3 MET A 30 34.206 28.943 12.869 1.00 0.20 H new ATOM 507 N TYR A 31 35.907 26.083 18.646 1.00 0.09 N ATOM 508 CA TYR A 31 36.385 25.352 19.852 1.00 0.09 C ATOM 509 C TYR A 31 35.429 24.200 20.157 1.00 0.09 C ATOM 510 O TYR A 31 35.842 23.108 20.492 1.00 0.10 O ATOM 511 CB TYR A 31 36.417 26.322 21.039 1.00 0.09 C ATOM 512 CG TYR A 31 36.684 25.577 22.325 1.00 0.10 C ATOM 513 CD1 TYR A 31 37.999 25.379 22.762 1.00 0.11 C ATOM 514 CD2 TYR A 31 35.613 25.098 23.088 1.00 0.10 C ATOM 515 CE1 TYR A 31 38.243 24.698 23.961 1.00 0.12 C ATOM 516 CE2 TYR A 31 35.855 24.419 24.288 1.00 0.11 C ATOM 517 CZ TYR A 31 37.171 24.219 24.724 1.00 0.12 C ATOM 518 OH TYR A 31 37.411 23.550 25.907 1.00 0.14 O ATOM 0 H TYR A 31 35.418 26.957 18.841 1.00 0.09 H new ATOM 0 HA TYR A 31 37.384 24.953 19.675 1.00 0.09 H new ATOM 0 HB2 TYR A 31 37.190 27.074 20.881 1.00 0.09 H new ATOM 0 HB3 TYR A 31 35.467 26.851 21.109 1.00 0.09 H new ATOM 0 HD1 TYR A 31 38.825 25.751 22.175 1.00 0.11 H new ATOM 0 HD2 TYR A 31 34.599 25.252 22.751 1.00 0.10 H new ATOM 0 HE1 TYR A 31 39.257 24.542 24.297 1.00 0.12 H new ATOM 0 HE2 TYR A 31 35.028 24.050 24.877 1.00 0.11 H new ATOM 0 HH TYR A 31 36.559 23.286 26.312 1.00 0.14 H new ATOM 528 N VAL A 32 34.151 24.436 20.048 1.00 0.09 N ATOM 529 CA VAL A 32 33.170 23.356 20.337 1.00 0.09 C ATOM 530 C VAL A 32 33.198 22.323 19.207 1.00 0.09 C ATOM 531 O VAL A 32 33.318 21.138 19.444 1.00 0.12 O ATOM 532 CB VAL A 32 31.765 23.954 20.453 1.00 0.09 C ATOM 533 CG1 VAL A 32 30.748 22.822 20.631 1.00 0.09 C ATOM 534 CG2 VAL A 32 31.701 24.908 21.661 1.00 0.12 C ATOM 0 H VAL A 32 33.745 25.330 19.771 1.00 0.09 H new ATOM 0 HA VAL A 32 33.433 22.871 21.277 1.00 0.09 H new ATOM 0 HB VAL A 32 31.532 24.514 19.547 1.00 0.09 H new ATOM 0 HG11 VAL A 32 29.746 23.243 20.714 1.00 0.09 H new ATOM 0 HG12 VAL A 32 30.791 22.155 19.770 1.00 0.09 H new ATOM 0 HG13 VAL A 32 30.982 22.261 21.536 1.00 0.09 H new ATOM 0 HG21 VAL A 32 30.699 25.330 21.738 1.00 0.12 H new ATOM 0 HG22 VAL A 32 31.934 24.357 22.572 1.00 0.12 H new ATOM 0 HG23 VAL A 32 32.425 25.712 21.528 1.00 0.12 H new ATOM 544 N ILE A 33 33.090 22.758 17.979 1.00 0.09 N ATOM 545 CA ILE A 33 33.114 21.795 16.842 1.00 0.09 C ATOM 546 C ILE A 33 34.289 20.818 17.029 1.00 0.10 C ATOM 547 O ILE A 33 34.093 19.624 17.138 1.00 0.11 O ATOM 548 CB ILE A 33 33.240 22.594 15.533 1.00 0.09 C ATOM 549 CG1 ILE A 33 32.042 23.560 15.456 1.00 0.10 C ATOM 550 CG2 ILE A 33 33.240 21.654 14.303 1.00 0.10 C ATOM 551 CD1 ILE A 33 32.106 24.403 14.180 1.00 0.09 C ATOM 0 H ILE A 33 32.986 23.738 17.716 1.00 0.09 H new ATOM 0 HA ILE A 33 32.197 21.208 16.805 1.00 0.09 H new ATOM 0 HB ILE A 33 34.182 23.142 15.526 1.00 0.09 H new ATOM 0 HG12 ILE A 33 31.111 22.994 15.477 1.00 0.10 H new ATOM 0 HG13 ILE A 33 32.038 24.213 16.329 1.00 0.10 H new ATOM 0 HG21 ILE A 33 33.330 22.246 13.392 1.00 0.10 H new ATOM 0 HG22 ILE A 33 34.081 20.964 14.372 1.00 0.10 H new ATOM 0 HG23 ILE A 33 32.309 21.089 14.277 1.00 0.10 H new ATOM 0 HD11 ILE A 33 31.251 25.078 14.146 1.00 0.09 H new ATOM 0 HD12 ILE A 33 33.028 24.985 14.174 1.00 0.09 H new ATOM 0 HD13 ILE A 33 32.085 23.747 13.309 1.00 0.09 H new ATOM 563 N LEU A 34 35.499 21.306 17.089 1.00 0.10 N ATOM 564 CA LEU A 34 36.662 20.389 17.294 1.00 0.11 C ATOM 565 C LEU A 34 36.405 19.542 18.554 1.00 0.13 C ATOM 566 O LEU A 34 36.714 18.370 18.592 1.00 0.20 O ATOM 567 CB LEU A 34 37.947 21.249 17.466 1.00 0.09 C ATOM 568 CG LEU A 34 38.850 21.334 16.178 1.00 0.09 C ATOM 569 CD1 LEU A 34 38.091 21.034 14.871 1.00 0.10 C ATOM 570 CD2 LEU A 34 39.457 22.740 16.081 1.00 0.10 C ATOM 0 H LEU A 34 35.734 22.295 17.006 1.00 0.10 H new ATOM 0 HA LEU A 34 36.790 19.724 16.440 1.00 0.11 H new ATOM 0 HB2 LEU A 34 37.658 22.258 17.759 1.00 0.09 H new ATOM 0 HB3 LEU A 34 38.539 20.837 18.283 1.00 0.09 H new ATOM 0 HG LEU A 34 39.618 20.569 16.286 1.00 0.09 H new ATOM 0 HD11 LEU A 34 38.776 21.111 14.027 1.00 0.10 H new ATOM 0 HD12 LEU A 34 37.679 20.026 14.913 1.00 0.10 H new ATOM 0 HD13 LEU A 34 37.281 21.753 14.748 1.00 0.10 H new ATOM 0 HD21 LEU A 34 40.083 22.805 15.191 1.00 0.10 H new ATOM 0 HD22 LEU A 34 38.657 23.478 16.017 1.00 0.10 H new ATOM 0 HD23 LEU A 34 40.062 22.937 16.966 1.00 0.10 H new ATOM 582 N LYS A 35 35.841 20.115 19.580 1.00 0.12 N ATOM 583 CA LYS A 35 35.576 19.319 20.815 1.00 0.15 C ATOM 584 C LYS A 35 34.678 18.127 20.477 1.00 0.21 C ATOM 585 O LYS A 35 34.775 17.075 21.078 1.00 0.29 O ATOM 586 CB LYS A 35 34.885 20.202 21.859 1.00 0.13 C ATOM 587 CG LYS A 35 34.967 19.529 23.231 1.00 0.17 C ATOM 588 CD LYS A 35 34.354 20.446 24.291 1.00 0.26 C ATOM 589 CE LYS A 35 34.761 19.959 25.683 1.00 0.80 C ATOM 590 NZ LYS A 35 36.246 19.986 25.803 1.00 1.49 N ATOM 0 H LYS A 35 35.553 21.093 19.619 1.00 0.12 H new ATOM 0 HA LYS A 35 36.521 18.956 21.218 1.00 0.15 H new ATOM 0 HB2 LYS A 35 35.360 21.182 21.894 1.00 0.13 H new ATOM 0 HB3 LYS A 35 33.843 20.363 21.583 1.00 0.13 H new ATOM 0 HG2 LYS A 35 34.439 18.576 23.211 1.00 0.17 H new ATOM 0 HG3 LYS A 35 36.006 19.313 23.480 1.00 0.17 H new ATOM 0 HD2 LYS A 35 34.692 21.471 24.140 1.00 0.26 H new ATOM 0 HD3 LYS A 35 33.268 20.451 24.199 1.00 0.26 H new ATOM 0 HE2 LYS A 35 34.312 20.593 26.448 1.00 0.80 H new ATOM 0 HE3 LYS A 35 34.390 18.948 25.849 1.00 0.80 H new ATOM 0 HZ1 LYS A 35 36.513 20.420 26.710 1.00 1.49 H new ATOM 0 HZ2 LYS A 35 36.615 19.015 25.762 1.00 1.49 H new ATOM 0 HZ3 LYS A 35 36.647 20.542 25.021 1.00 1.49 H new ATOM 604 N ASP A 36 33.803 18.279 19.520 1.00 0.24 N ATOM 605 CA ASP A 36 32.899 17.153 19.145 1.00 0.32 C ATOM 606 C ASP A 36 33.586 16.261 18.112 1.00 0.26 C ATOM 607 O ASP A 36 33.500 15.050 18.165 1.00 0.36 O ATOM 608 CB ASP A 36 31.612 17.717 18.546 1.00 0.42 C ATOM 609 CG ASP A 36 30.945 18.652 19.556 1.00 0.84 C ATOM 610 OD1 ASP A 36 31.301 18.585 20.721 1.00 1.56 O ATOM 611 OD2 ASP A 36 30.091 19.422 19.147 1.00 1.42 O ATOM 0 H ASP A 36 33.675 19.135 18.981 1.00 0.24 H new ATOM 0 HA ASP A 36 32.667 16.565 20.033 1.00 0.32 H new ATOM 0 HB2 ASP A 36 31.833 18.257 17.626 1.00 0.42 H new ATOM 0 HB3 ASP A 36 30.934 16.905 18.284 1.00 0.42 H new ATOM 616 N ALA A 37 34.257 16.852 17.165 1.00 0.18 N ATOM 617 CA ALA A 37 34.941 16.050 16.116 1.00 0.17 C ATOM 618 C ALA A 37 36.245 15.477 16.660 1.00 0.16 C ATOM 619 O ALA A 37 37.212 15.335 15.938 1.00 0.21 O ATOM 620 CB ALA A 37 35.269 16.959 14.939 1.00 0.19 C ATOM 0 H ALA A 37 34.361 17.862 17.072 1.00 0.18 H new ATOM 0 HA ALA A 37 34.287 15.235 15.806 1.00 0.17 H new ATOM 0 HB1 ALA A 37 35.771 16.382 14.163 1.00 0.19 H new ATOM 0 HB2 ALA A 37 34.348 17.382 14.538 1.00 0.19 H new ATOM 0 HB3 ALA A 37 35.923 17.765 15.273 1.00 0.19 H new ATOM 626 N ASP A 38 36.303 15.161 17.921 1.00 0.18 N ATOM 627 CA ASP A 38 37.575 14.621 18.469 1.00 0.20 C ATOM 628 C ASP A 38 38.693 15.597 18.096 1.00 0.18 C ATOM 629 O ASP A 38 39.862 15.268 18.101 1.00 0.22 O ATOM 630 CB ASP A 38 37.846 13.240 17.853 1.00 0.25 C ATOM 631 CG ASP A 38 38.740 12.417 18.787 1.00 1.00 C ATOM 632 OD1 ASP A 38 39.741 12.950 19.236 1.00 1.82 O ATOM 633 OD2 ASP A 38 38.407 11.270 19.035 1.00 1.65 O ATOM 0 H ASP A 38 35.537 15.251 18.588 1.00 0.18 H new ATOM 0 HA ASP A 38 37.520 14.512 19.552 1.00 0.20 H new ATOM 0 HB2 ASP A 38 36.905 12.717 17.683 1.00 0.25 H new ATOM 0 HB3 ASP A 38 38.328 13.354 16.882 1.00 0.25 H new ATOM 638 N ALA A 39 38.309 16.795 17.755 1.00 0.14 N ATOM 639 CA ALA A 39 39.283 17.838 17.351 1.00 0.14 C ATOM 640 C ALA A 39 39.938 17.441 16.029 1.00 0.14 C ATOM 641 O ALA A 39 40.943 17.995 15.630 1.00 0.16 O ATOM 642 CB ALA A 39 40.344 18.024 18.432 1.00 0.16 C ATOM 0 H ALA A 39 37.335 17.099 17.740 1.00 0.14 H new ATOM 0 HA ALA A 39 38.757 18.784 17.221 1.00 0.14 H new ATOM 0 HB1 ALA A 39 41.051 18.793 18.120 1.00 0.16 H new ATOM 0 HB2 ALA A 39 39.865 18.328 19.363 1.00 0.16 H new ATOM 0 HB3 ALA A 39 40.875 17.085 18.586 1.00 0.16 H new ATOM 648 N ASN A 40 39.363 16.496 15.335 1.00 0.14 N ATOM 649 CA ASN A 40 39.940 16.079 14.028 1.00 0.16 C ATOM 650 C ASN A 40 39.444 17.047 12.955 1.00 0.14 C ATOM 651 O ASN A 40 38.347 16.921 12.448 1.00 0.15 O ATOM 652 CB ASN A 40 39.483 14.656 13.693 1.00 0.20 C ATOM 653 CG ASN A 40 40.369 14.080 12.585 1.00 0.78 C ATOM 654 OD1 ASN A 40 40.519 12.879 12.473 1.00 1.77 O ATOM 655 ND2 ASN A 40 40.967 14.891 11.757 1.00 1.19 N ATOM 0 H ASN A 40 38.520 15.996 15.617 1.00 0.14 H new ATOM 0 HA ASN A 40 41.029 16.095 14.074 1.00 0.16 H new ATOM 0 HB2 ASN A 40 39.539 14.027 14.581 1.00 0.20 H new ATOM 0 HB3 ASN A 40 38.441 14.664 13.373 1.00 0.20 H new ATOM 0 HD21 ASN A 40 41.560 14.517 11.016 1.00 1.19 H new ATOM 0 HD22 ASN A 40 40.842 15.899 11.850 1.00 1.19 H new ATOM 662 N ILE A 41 40.237 18.022 12.623 1.00 0.13 N ATOM 663 CA ILE A 41 39.813 19.016 11.602 1.00 0.12 C ATOM 664 C ILE A 41 39.223 18.303 10.381 1.00 0.13 C ATOM 665 O ILE A 41 38.202 18.704 9.859 1.00 0.14 O ATOM 666 CB ILE A 41 41.024 19.874 11.213 1.00 0.13 C ATOM 667 CG1 ILE A 41 41.292 20.863 12.360 1.00 0.13 C ATOM 668 CG2 ILE A 41 40.736 20.627 9.903 1.00 0.15 C ATOM 669 CD1 ILE A 41 42.525 21.715 12.059 1.00 0.16 C ATOM 0 H ILE A 41 41.166 18.175 13.016 1.00 0.13 H new ATOM 0 HA ILE A 41 39.037 19.663 12.011 1.00 0.12 H new ATOM 0 HB ILE A 41 41.901 19.247 11.052 1.00 0.13 H new ATOM 0 HG12 ILE A 41 40.424 21.507 12.502 1.00 0.13 H new ATOM 0 HG13 ILE A 41 41.439 20.317 13.292 1.00 0.13 H new ATOM 0 HG21 ILE A 41 41.601 21.234 9.634 1.00 0.15 H new ATOM 0 HG22 ILE A 41 40.535 19.909 9.108 1.00 0.15 H new ATOM 0 HG23 ILE A 41 39.868 21.272 10.038 1.00 0.15 H new ATOM 0 HD11 ILE A 41 42.698 22.408 12.882 1.00 0.16 H new ATOM 0 HD12 ILE A 41 43.394 21.068 11.941 1.00 0.16 H new ATOM 0 HD13 ILE A 41 42.363 22.277 11.139 1.00 0.16 H new ATOM 681 N GLU A 42 39.841 17.251 9.923 1.00 0.15 N ATOM 682 CA GLU A 42 39.291 16.529 8.741 1.00 0.16 C ATOM 683 C GLU A 42 37.799 16.277 8.959 1.00 0.16 C ATOM 684 O GLU A 42 36.970 16.671 8.163 1.00 0.19 O ATOM 685 CB GLU A 42 40.023 15.196 8.569 1.00 0.19 C ATOM 686 CG GLU A 42 41.449 15.460 8.082 1.00 0.26 C ATOM 687 CD GLU A 42 42.277 14.179 8.200 1.00 1.04 C ATOM 688 OE1 GLU A 42 42.657 13.843 9.309 1.00 1.67 O ATOM 689 OE2 GLU A 42 42.517 13.557 7.178 1.00 1.80 O ATOM 0 H GLU A 42 40.699 16.861 10.313 1.00 0.15 H new ATOM 0 HA GLU A 42 39.431 17.130 7.843 1.00 0.16 H new ATOM 0 HB2 GLU A 42 40.044 14.655 9.515 1.00 0.19 H new ATOM 0 HB3 GLU A 42 39.493 14.567 7.854 1.00 0.19 H new ATOM 0 HG2 GLU A 42 41.433 15.801 7.047 1.00 0.26 H new ATOM 0 HG3 GLU A 42 41.904 16.255 8.672 1.00 0.26 H new ATOM 696 N GLU A 43 37.451 15.641 10.042 1.00 0.15 N ATOM 697 CA GLU A 43 36.012 15.382 10.323 1.00 0.16 C ATOM 698 C GLU A 43 35.302 16.716 10.556 1.00 0.15 C ATOM 699 O GLU A 43 34.303 17.014 9.934 1.00 0.21 O ATOM 700 CB GLU A 43 35.883 14.511 11.573 1.00 0.18 C ATOM 701 CG GLU A 43 34.404 14.323 11.915 1.00 0.33 C ATOM 702 CD GLU A 43 34.256 13.219 12.964 1.00 1.21 C ATOM 703 OE1 GLU A 43 35.263 12.833 13.536 1.00 1.84 O ATOM 704 OE2 GLU A 43 33.139 12.778 13.179 1.00 1.95 O ATOM 0 H GLU A 43 38.101 15.289 10.745 1.00 0.15 H new ATOM 0 HA GLU A 43 35.559 14.865 9.477 1.00 0.16 H new ATOM 0 HB2 GLU A 43 36.354 13.543 11.404 1.00 0.18 H new ATOM 0 HB3 GLU A 43 36.404 14.977 12.409 1.00 0.18 H new ATOM 0 HG2 GLU A 43 33.986 15.256 12.293 1.00 0.33 H new ATOM 0 HG3 GLU A 43 33.843 14.063 11.017 1.00 0.33 H new ATOM 711 N ALA A 44 35.815 17.519 11.449 1.00 0.13 N ATOM 712 CA ALA A 44 35.174 18.837 11.732 1.00 0.14 C ATOM 713 C ALA A 44 34.973 19.617 10.426 1.00 0.16 C ATOM 714 O ALA A 44 33.886 20.048 10.109 1.00 0.20 O ATOM 715 CB ALA A 44 36.073 19.639 12.684 1.00 0.14 C ATOM 0 H ALA A 44 36.652 17.319 11.996 1.00 0.13 H new ATOM 0 HA ALA A 44 34.201 18.674 12.195 1.00 0.14 H new ATOM 0 HB1 ALA A 44 35.611 20.603 12.895 1.00 0.14 H new ATOM 0 HB2 ALA A 44 36.201 19.087 13.615 1.00 0.14 H new ATOM 0 HB3 ALA A 44 37.046 19.797 12.219 1.00 0.14 H new ATOM 721 N SER A 45 36.016 19.813 9.674 1.00 0.16 N ATOM 722 CA SER A 45 35.888 20.581 8.401 1.00 0.21 C ATOM 723 C SER A 45 34.864 19.924 7.469 1.00 0.20 C ATOM 724 O SER A 45 34.318 20.563 6.592 1.00 0.32 O ATOM 725 CB SER A 45 37.243 20.628 7.698 1.00 0.26 C ATOM 726 OG SER A 45 37.053 20.988 6.336 1.00 1.01 O ATOM 0 H SER A 45 36.955 19.475 9.884 1.00 0.16 H new ATOM 0 HA SER A 45 35.551 21.590 8.639 1.00 0.21 H new ATOM 0 HB2 SER A 45 37.896 21.350 8.189 1.00 0.26 H new ATOM 0 HB3 SER A 45 37.734 19.657 7.764 1.00 0.26 H new ATOM 0 HG SER A 45 37.921 21.021 5.882 1.00 1.01 H new ATOM 732 N ARG A 46 34.612 18.653 7.628 1.00 0.18 N ATOM 733 CA ARG A 46 33.640 17.970 6.721 1.00 0.20 C ATOM 734 C ARG A 46 32.195 18.207 7.187 1.00 0.16 C ATOM 735 O ARG A 46 31.272 18.138 6.401 1.00 0.22 O ATOM 736 CB ARG A 46 33.950 16.465 6.691 1.00 0.23 C ATOM 737 CG ARG A 46 35.181 16.213 5.792 1.00 0.85 C ATOM 738 CD ARG A 46 35.884 14.893 6.142 1.00 1.14 C ATOM 739 NE ARG A 46 35.182 13.753 5.456 1.00 1.59 N ATOM 740 CZ ARG A 46 34.020 13.315 5.846 1.00 2.17 C ATOM 741 NH1 ARG A 46 33.505 13.725 6.970 1.00 2.66 N ATOM 742 NH2 ARG A 46 33.395 12.416 5.137 1.00 2.87 N ATOM 0 H ARG A 46 35.034 18.059 8.342 1.00 0.18 H new ATOM 0 HA ARG A 46 33.739 18.385 5.718 1.00 0.20 H new ATOM 0 HB2 ARG A 46 34.143 16.102 7.701 1.00 0.23 H new ATOM 0 HB3 ARG A 46 33.090 15.913 6.312 1.00 0.23 H new ATOM 0 HG2 ARG A 46 34.870 16.193 4.748 1.00 0.85 H new ATOM 0 HG3 ARG A 46 35.884 17.039 5.899 1.00 0.85 H new ATOM 0 HD2 ARG A 46 36.928 14.931 5.831 1.00 1.14 H new ATOM 0 HD3 ARG A 46 35.878 14.741 7.221 1.00 1.14 H new ATOM 0 HE ARG A 46 35.633 13.307 4.657 1.00 1.59 H new ATOM 0 HH11 ARG A 46 34.013 14.393 7.550 1.00 2.66 H new ATOM 0 HH12 ARG A 46 32.594 13.378 7.270 1.00 2.66 H new ATOM 0 HH21 ARG A 46 33.817 12.059 4.280 1.00 2.87 H new ATOM 0 HH22 ARG A 46 32.484 12.070 5.440 1.00 2.87 H new ATOM 756 N ARG A 47 31.978 18.497 8.447 1.00 0.13 N ATOM 757 CA ARG A 47 30.574 18.745 8.919 1.00 0.13 C ATOM 758 C ARG A 47 30.213 20.217 8.679 1.00 0.11 C ATOM 759 O ARG A 47 29.139 20.527 8.202 1.00 0.13 O ATOM 760 CB ARG A 47 30.416 18.385 10.410 1.00 0.18 C ATOM 761 CG ARG A 47 31.668 18.764 11.194 1.00 0.49 C ATOM 762 CD ARG A 47 31.512 18.344 12.664 1.00 0.62 C ATOM 763 NE ARG A 47 31.913 16.918 12.825 1.00 0.81 N ATOM 764 CZ ARG A 47 32.139 16.438 14.017 1.00 1.20 C ATOM 765 NH1 ARG A 47 32.021 17.210 15.063 1.00 1.99 N ATOM 766 NH2 ARG A 47 32.483 15.189 14.168 1.00 1.63 N ATOM 0 H ARG A 47 32.700 18.573 9.163 1.00 0.13 H new ATOM 0 HA ARG A 47 29.894 18.107 8.354 1.00 0.13 H new ATOM 0 HB2 ARG A 47 29.551 18.903 10.824 1.00 0.18 H new ATOM 0 HB3 ARG A 47 30.227 17.317 10.513 1.00 0.18 H new ATOM 0 HG2 ARG A 47 32.541 18.278 10.759 1.00 0.49 H new ATOM 0 HG3 ARG A 47 31.836 19.839 11.130 1.00 0.49 H new ATOM 0 HD2 ARG A 47 32.128 18.979 13.301 1.00 0.62 H new ATOM 0 HD3 ARG A 47 30.479 18.479 12.983 1.00 0.62 H new ATOM 0 HE ARG A 47 32.011 16.319 12.005 1.00 0.81 H new ATOM 0 HH11 ARG A 47 31.752 18.187 14.948 1.00 1.99 H new ATOM 0 HH12 ARG A 47 32.197 16.836 15.995 1.00 1.99 H new ATOM 0 HH21 ARG A 47 32.576 14.584 13.352 1.00 1.63 H new ATOM 0 HH22 ARG A 47 32.659 14.818 15.102 1.00 1.63 H new ATOM 780 N ILE A 48 31.102 21.126 8.980 1.00 0.10 N ATOM 781 CA ILE A 48 30.800 22.570 8.736 1.00 0.10 C ATOM 782 C ILE A 48 30.360 22.728 7.284 1.00 0.11 C ATOM 783 O ILE A 48 29.296 23.239 6.997 1.00 0.13 O ATOM 784 CB ILE A 48 32.052 23.407 9.005 1.00 0.10 C ATOM 785 CG1 ILE A 48 32.525 23.126 10.432 1.00 0.09 C ATOM 786 CG2 ILE A 48 31.722 24.897 8.862 1.00 0.11 C ATOM 787 CD1 ILE A 48 33.669 24.071 10.801 1.00 0.10 C ATOM 0 H ILE A 48 32.020 20.934 9.382 1.00 0.10 H new ATOM 0 HA ILE A 48 30.006 22.912 9.401 1.00 0.10 H new ATOM 0 HB ILE A 48 32.832 23.147 8.290 1.00 0.10 H new ATOM 0 HG12 ILE A 48 31.697 23.254 11.130 1.00 0.09 H new ATOM 0 HG13 ILE A 48 32.856 22.091 10.517 1.00 0.09 H new ATOM 0 HG21 ILE A 48 32.617 25.488 9.055 1.00 0.11 H new ATOM 0 HG22 ILE A 48 31.367 25.096 7.851 1.00 0.11 H new ATOM 0 HG23 ILE A 48 30.947 25.168 9.579 1.00 0.11 H new ATOM 0 HD11 ILE A 48 33.999 23.863 11.819 1.00 0.10 H new ATOM 0 HD12 ILE A 48 34.501 23.922 10.112 1.00 0.10 H new ATOM 0 HD13 ILE A 48 33.324 25.103 10.735 1.00 0.10 H new ATOM 799 N GLU A 49 31.162 22.270 6.366 1.00 0.11 N ATOM 800 CA GLU A 49 30.783 22.368 4.928 1.00 0.12 C ATOM 801 C GLU A 49 29.365 21.836 4.763 1.00 0.12 C ATOM 802 O GLU A 49 28.462 22.543 4.360 1.00 0.13 O ATOM 803 CB GLU A 49 31.721 21.499 4.102 1.00 0.13 C ATOM 804 CG GLU A 49 33.099 22.160 4.000 1.00 0.15 C ATOM 805 CD GLU A 49 33.931 21.440 2.937 1.00 0.17 C ATOM 806 OE1 GLU A 49 33.383 21.133 1.892 1.00 1.09 O ATOM 807 OE2 GLU A 49 35.103 21.208 3.187 1.00 1.08 O ATOM 0 H GLU A 49 32.065 21.831 6.548 1.00 0.11 H new ATOM 0 HA GLU A 49 30.846 23.405 4.598 1.00 0.12 H new ATOM 0 HB2 GLU A 49 31.815 20.514 4.560 1.00 0.13 H new ATOM 0 HB3 GLU A 49 31.307 21.349 3.105 1.00 0.13 H new ATOM 0 HG2 GLU A 49 32.991 23.213 3.741 1.00 0.15 H new ATOM 0 HG3 GLU A 49 33.606 22.119 4.964 1.00 0.15 H new ATOM 814 N GLU A 50 29.160 20.592 5.102 1.00 0.12 N ATOM 815 CA GLU A 50 27.797 20.009 4.999 1.00 0.13 C ATOM 816 C GLU A 50 26.846 20.949 5.724 1.00 0.12 C ATOM 817 O GLU A 50 25.659 20.957 5.495 1.00 0.12 O ATOM 818 CB GLU A 50 27.770 18.628 5.660 1.00 0.14 C ATOM 819 CG GLU A 50 26.369 18.026 5.527 1.00 0.17 C ATOM 820 CD GLU A 50 26.399 16.558 5.959 1.00 1.15 C ATOM 821 OE1 GLU A 50 26.834 16.296 7.068 1.00 2.03 O ATOM 822 OE2 GLU A 50 25.987 15.722 5.172 1.00 1.74 O ATOM 0 H GLU A 50 29.880 19.956 5.446 1.00 0.12 H new ATOM 0 HA GLU A 50 27.504 19.893 3.955 1.00 0.13 H new ATOM 0 HB2 GLU A 50 28.505 17.974 5.190 1.00 0.14 H new ATOM 0 HB3 GLU A 50 28.043 18.711 6.712 1.00 0.14 H new ATOM 0 HG2 GLU A 50 25.663 18.583 6.143 1.00 0.17 H new ATOM 0 HG3 GLU A 50 26.024 18.105 4.496 1.00 0.17 H new ATOM 829 N GLY A 51 27.386 21.760 6.589 1.00 0.11 N ATOM 830 CA GLY A 51 26.538 22.737 7.333 1.00 0.10 C ATOM 831 C GLY A 51 26.258 23.926 6.415 1.00 0.10 C ATOM 832 O GLY A 51 25.127 24.229 6.093 1.00 0.11 O ATOM 0 H GLY A 51 28.380 21.790 6.815 1.00 0.11 H new ATOM 0 HA2 GLY A 51 25.604 22.269 7.644 1.00 0.10 H new ATOM 0 HA3 GLY A 51 27.046 23.068 8.239 1.00 0.10 H new ATOM 836 N GLN A 52 27.293 24.587 5.971 1.00 0.10 N ATOM 837 CA GLN A 52 27.117 25.748 5.045 1.00 0.12 C ATOM 838 C GLN A 52 26.133 25.358 3.950 1.00 0.12 C ATOM 839 O GLN A 52 25.212 26.084 3.632 1.00 0.13 O ATOM 840 CB GLN A 52 28.469 26.097 4.420 1.00 0.14 C ATOM 841 CG GLN A 52 29.478 26.390 5.533 1.00 0.19 C ATOM 842 CD GLN A 52 29.175 27.754 6.151 1.00 0.42 C ATOM 843 OE1 GLN A 52 28.462 28.550 5.575 1.00 0.95 O ATOM 844 NE2 GLN A 52 29.691 28.060 7.310 1.00 0.39 N ATOM 0 H GLN A 52 28.261 24.372 6.211 1.00 0.10 H new ATOM 0 HA GLN A 52 26.736 26.611 5.591 1.00 0.12 H new ATOM 0 HB2 GLN A 52 28.821 25.271 3.802 1.00 0.14 H new ATOM 0 HB3 GLN A 52 28.368 26.964 3.767 1.00 0.14 H new ATOM 0 HG2 GLN A 52 29.428 25.614 6.297 1.00 0.19 H new ATOM 0 HG3 GLN A 52 30.491 26.378 5.132 1.00 0.19 H new ATOM 0 HE21 GLN A 52 30.290 27.391 7.794 1.00 0.39 H new ATOM 0 HE22 GLN A 52 29.495 28.968 7.732 1.00 0.39 H new ATOM 853 N TYR A 53 26.319 24.207 3.381 1.00 0.12 N ATOM 854 CA TYR A 53 25.390 23.749 2.312 1.00 0.13 C ATOM 855 C TYR A 53 23.961 23.699 2.881 1.00 0.13 C ATOM 856 O TYR A 53 23.020 24.133 2.248 1.00 0.15 O ATOM 857 CB TYR A 53 25.828 22.358 1.807 1.00 0.14 C ATOM 858 CG TYR A 53 24.675 21.656 1.117 1.00 0.15 C ATOM 859 CD1 TYR A 53 23.692 21.036 1.889 1.00 0.16 C ATOM 860 CD2 TYR A 53 24.584 21.633 -0.280 1.00 0.17 C ATOM 861 CE1 TYR A 53 22.616 20.392 1.281 1.00 0.18 C ATOM 862 CE2 TYR A 53 23.504 20.986 -0.898 1.00 0.19 C ATOM 863 CZ TYR A 53 22.518 20.366 -0.116 1.00 0.19 C ATOM 864 OH TYR A 53 21.456 19.727 -0.723 1.00 0.22 O ATOM 0 H TYR A 53 27.074 23.560 3.608 1.00 0.12 H new ATOM 0 HA TYR A 53 25.413 24.442 1.471 1.00 0.13 H new ATOM 0 HB2 TYR A 53 26.664 22.462 1.115 1.00 0.14 H new ATOM 0 HB3 TYR A 53 26.180 21.755 2.644 1.00 0.14 H new ATOM 0 HD1 TYR A 53 23.766 21.055 2.966 1.00 0.16 H new ATOM 0 HD2 TYR A 53 25.343 22.112 -0.880 1.00 0.17 H new ATOM 0 HE1 TYR A 53 21.859 19.914 1.886 1.00 0.18 H new ATOM 0 HE2 TYR A 53 23.431 20.965 -1.975 1.00 0.19 H new ATOM 0 HH TYR A 53 21.163 20.246 -1.501 1.00 0.22 H new ATOM 874 N VAL A 54 23.789 23.169 4.066 1.00 0.15 N ATOM 875 CA VAL A 54 22.415 23.096 4.651 1.00 0.14 C ATOM 876 C VAL A 54 21.809 24.499 4.683 1.00 0.14 C ATOM 877 O VAL A 54 20.837 24.785 4.013 1.00 0.15 O ATOM 878 CB VAL A 54 22.464 22.536 6.087 1.00 0.13 C ATOM 879 CG1 VAL A 54 21.051 22.591 6.681 1.00 0.14 C ATOM 880 CG2 VAL A 54 22.975 21.067 6.100 1.00 0.14 C ATOM 0 H VAL A 54 24.533 22.787 4.649 1.00 0.15 H new ATOM 0 HA VAL A 54 21.807 22.434 4.035 1.00 0.14 H new ATOM 0 HB VAL A 54 23.154 23.138 6.678 1.00 0.13 H new ATOM 0 HG11 VAL A 54 21.068 22.198 7.698 1.00 0.14 H new ATOM 0 HG12 VAL A 54 20.703 23.624 6.697 1.00 0.14 H new ATOM 0 HG13 VAL A 54 20.376 21.990 6.071 1.00 0.14 H new ATOM 0 HG21 VAL A 54 22.999 20.699 7.126 1.00 0.14 H new ATOM 0 HG22 VAL A 54 22.306 20.444 5.506 1.00 0.14 H new ATOM 0 HG23 VAL A 54 23.979 21.027 5.677 1.00 0.14 H new ATOM 890 N VAL A 55 22.379 25.374 5.460 1.00 0.15 N ATOM 891 CA VAL A 55 21.842 26.759 5.541 1.00 0.16 C ATOM 892 C VAL A 55 21.740 27.340 4.130 1.00 0.19 C ATOM 893 O VAL A 55 20.688 27.766 3.696 1.00 0.22 O ATOM 894 CB VAL A 55 22.791 27.617 6.385 1.00 0.19 C ATOM 895 CG1 VAL A 55 22.155 28.985 6.651 1.00 0.29 C ATOM 896 CG2 VAL A 55 23.061 26.913 7.718 1.00 0.13 C ATOM 0 H VAL A 55 23.195 25.190 6.044 1.00 0.15 H new ATOM 0 HA VAL A 55 20.854 26.750 6.002 1.00 0.16 H new ATOM 0 HB VAL A 55 23.728 27.755 5.846 1.00 0.19 H new ATOM 0 HG11 VAL A 55 22.833 29.591 7.251 1.00 0.29 H new ATOM 0 HG12 VAL A 55 21.962 29.487 5.703 1.00 0.29 H new ATOM 0 HG13 VAL A 55 21.216 28.851 7.188 1.00 0.29 H new ATOM 0 HG21 VAL A 55 23.736 27.521 8.320 1.00 0.13 H new ATOM 0 HG22 VAL A 55 22.122 26.775 8.253 1.00 0.13 H new ATOM 0 HG23 VAL A 55 23.518 25.941 7.530 1.00 0.13 H new ATOM 906 N ASN A 56 22.828 27.361 3.414 1.00 0.22 N ATOM 907 CA ASN A 56 22.806 27.916 2.030 1.00 0.27 C ATOM 908 C ASN A 56 21.679 27.260 1.228 1.00 0.26 C ATOM 909 O ASN A 56 20.889 27.929 0.591 1.00 0.33 O ATOM 910 CB ASN A 56 24.146 27.636 1.346 1.00 0.35 C ATOM 911 CG ASN A 56 24.234 28.437 0.046 1.00 0.71 C ATOM 912 OD1 ASN A 56 23.994 29.628 0.035 1.00 1.56 O ATOM 913 ND2 ASN A 56 24.568 27.829 -1.060 1.00 0.90 N ATOM 0 H ASN A 56 23.736 27.017 3.727 1.00 0.22 H new ATOM 0 HA ASN A 56 22.637 28.992 2.077 1.00 0.27 H new ATOM 0 HB2 ASN A 56 24.968 27.907 2.009 1.00 0.35 H new ATOM 0 HB3 ASN A 56 24.244 26.571 1.136 1.00 0.35 H new ATOM 0 HD21 ASN A 56 24.627 28.354 -1.933 1.00 0.90 H new ATOM 0 HD22 ASN A 56 24.770 26.829 -1.051 1.00 0.90 H new ATOM 920 N GLU A 57 21.599 25.958 1.249 1.00 0.24 N ATOM 921 CA GLU A 57 20.525 25.264 0.482 1.00 0.26 C ATOM 922 C GLU A 57 19.158 25.641 1.057 1.00 0.25 C ATOM 923 O GLU A 57 18.305 26.162 0.367 1.00 0.32 O ATOM 924 CB GLU A 57 20.716 23.750 0.592 1.00 0.29 C ATOM 925 CG GLU A 57 19.785 23.042 -0.398 1.00 0.50 C ATOM 926 CD GLU A 57 19.703 21.552 -0.057 1.00 1.58 C ATOM 927 OE1 GLU A 57 20.039 21.198 1.062 1.00 2.37 O ATOM 928 OE2 GLU A 57 19.304 20.789 -0.921 1.00 2.31 O ATOM 0 H GLU A 57 22.231 25.344 1.764 1.00 0.24 H new ATOM 0 HA GLU A 57 20.577 25.566 -0.564 1.00 0.26 H new ATOM 0 HB2 GLU A 57 21.753 23.488 0.383 1.00 0.29 H new ATOM 0 HB3 GLU A 57 20.502 23.419 1.608 1.00 0.29 H new ATOM 0 HG2 GLU A 57 18.791 23.488 -0.360 1.00 0.50 H new ATOM 0 HG3 GLU A 57 20.154 23.172 -1.415 1.00 0.50 H new ATOM 1388 N VAL B 8 12.604 21.656 11.768 1.00 0.33 N ATOM 1389 CA VAL B 8 12.715 21.848 13.241 1.00 0.39 C ATOM 1390 C VAL B 8 14.187 22.022 13.624 1.00 0.36 C ATOM 1391 O VAL B 8 14.529 22.835 14.459 1.00 0.48 O ATOM 1392 CB VAL B 8 12.140 20.625 13.959 1.00 0.50 C ATOM 1393 CG1 VAL B 8 11.919 20.957 15.436 1.00 0.98 C ATOM 1394 CG2 VAL B 8 10.803 20.242 13.319 1.00 1.19 C ATOM 0 HA VAL B 8 12.157 22.737 13.535 1.00 0.39 H new ATOM 0 HB VAL B 8 12.838 19.792 13.874 1.00 0.50 H new ATOM 0 HG11 VAL B 8 11.509 20.086 15.947 1.00 0.98 H new ATOM 0 HG12 VAL B 8 12.869 21.233 15.893 1.00 0.98 H new ATOM 0 HG13 VAL B 8 11.221 21.789 15.521 1.00 0.98 H new ATOM 0 HG21 VAL B 8 10.392 19.371 13.829 1.00 1.19 H new ATOM 0 HG22 VAL B 8 10.106 21.076 13.405 1.00 1.19 H new ATOM 0 HG23 VAL B 8 10.958 20.006 12.266 1.00 1.19 H new ATOM 1404 N PHE B 9 15.061 21.267 13.018 1.00 0.28 N ATOM 1405 CA PHE B 9 16.510 21.389 13.344 1.00 0.27 C ATOM 1406 C PHE B 9 16.928 22.858 13.257 1.00 0.25 C ATOM 1407 O PHE B 9 17.572 23.383 14.144 1.00 0.32 O ATOM 1408 CB PHE B 9 17.324 20.554 12.346 1.00 0.26 C ATOM 1409 CG PHE B 9 18.691 20.261 12.915 1.00 0.21 C ATOM 1410 CD1 PHE B 9 18.896 19.114 13.690 1.00 0.18 C ATOM 1411 CD2 PHE B 9 19.753 21.137 12.667 1.00 0.23 C ATOM 1412 CE1 PHE B 9 20.164 18.844 14.217 1.00 0.18 C ATOM 1413 CE2 PHE B 9 21.020 20.867 13.194 1.00 0.23 C ATOM 1414 CZ PHE B 9 21.225 19.722 13.968 1.00 0.20 C ATOM 0 H PHE B 9 14.834 20.569 12.310 1.00 0.28 H new ATOM 0 HA PHE B 9 16.694 21.024 14.354 1.00 0.27 H new ATOM 0 HB2 PHE B 9 16.803 19.621 12.129 1.00 0.26 H new ATOM 0 HB3 PHE B 9 17.421 21.092 11.403 1.00 0.26 H new ATOM 0 HD1 PHE B 9 18.076 18.438 13.881 1.00 0.18 H new ATOM 0 HD2 PHE B 9 19.595 22.022 12.069 1.00 0.23 H new ATOM 0 HE1 PHE B 9 20.324 17.959 14.815 1.00 0.18 H new ATOM 0 HE2 PHE B 9 21.840 21.543 13.003 1.00 0.23 H new ATOM 0 HZ PHE B 9 22.204 19.514 14.375 1.00 0.20 H new ATOM 1424 N LEU B 10 16.563 23.530 12.201 1.00 0.23 N ATOM 1425 CA LEU B 10 16.940 24.964 12.075 1.00 0.23 C ATOM 1426 C LEU B 10 16.242 25.761 13.175 1.00 0.24 C ATOM 1427 O LEU B 10 16.778 26.717 13.699 1.00 0.28 O ATOM 1428 CB LEU B 10 16.510 25.493 10.707 1.00 0.25 C ATOM 1429 CG LEU B 10 16.925 24.506 9.613 1.00 0.24 C ATOM 1430 CD1 LEU B 10 16.686 25.143 8.247 1.00 0.30 C ATOM 1431 CD2 LEU B 10 18.413 24.163 9.758 1.00 0.23 C ATOM 0 H LEU B 10 16.023 23.150 11.424 1.00 0.23 H new ATOM 0 HA LEU B 10 18.021 25.068 12.173 1.00 0.23 H new ATOM 0 HB2 LEU B 10 15.430 25.639 10.687 1.00 0.25 H new ATOM 0 HB3 LEU B 10 16.966 26.466 10.524 1.00 0.25 H new ATOM 0 HG LEU B 10 16.335 23.594 9.706 1.00 0.24 H new ATOM 0 HD11 LEU B 10 16.980 24.445 7.463 1.00 0.30 H new ATOM 0 HD12 LEU B 10 15.629 25.386 8.139 1.00 0.30 H new ATOM 0 HD13 LEU B 10 17.278 26.054 8.162 1.00 0.30 H new ATOM 0 HD21 LEU B 10 18.702 23.460 8.977 1.00 0.23 H new ATOM 0 HD22 LEU B 10 19.007 25.072 9.666 1.00 0.23 H new ATOM 0 HD23 LEU B 10 18.589 23.712 10.735 1.00 0.23 H new ATOM 1443 N ASP B 11 15.052 25.370 13.538 1.00 0.23 N ATOM 1444 CA ASP B 11 14.330 26.103 14.614 1.00 0.25 C ATOM 1445 C ASP B 11 15.231 26.171 15.847 1.00 0.22 C ATOM 1446 O ASP B 11 15.542 27.235 16.345 1.00 0.30 O ATOM 1447 CB ASP B 11 13.034 25.365 14.962 1.00 0.30 C ATOM 1448 CG ASP B 11 12.121 26.289 15.771 1.00 0.97 C ATOM 1449 OD1 ASP B 11 11.541 27.184 15.179 1.00 1.67 O ATOM 1450 OD2 ASP B 11 12.019 26.087 16.970 1.00 1.67 O ATOM 0 H ASP B 11 14.550 24.577 13.138 1.00 0.23 H new ATOM 0 HA ASP B 11 14.083 27.110 14.277 1.00 0.25 H new ATOM 0 HB2 ASP B 11 12.529 25.045 14.050 1.00 0.30 H new ATOM 0 HB3 ASP B 11 13.258 24.465 15.535 1.00 0.30 H new ATOM 1455 N TYR B 12 15.662 25.040 16.338 1.00 0.17 N ATOM 1456 CA TYR B 12 16.551 25.037 17.530 1.00 0.15 C ATOM 1457 C TYR B 12 17.736 25.969 17.268 1.00 0.16 C ATOM 1458 O TYR B 12 18.035 26.850 18.048 1.00 0.23 O ATOM 1459 CB TYR B 12 17.059 23.611 17.784 1.00 0.14 C ATOM 1460 CG TYR B 12 15.906 22.723 18.218 1.00 0.17 C ATOM 1461 CD1 TYR B 12 15.201 23.008 19.395 1.00 0.23 C ATOM 1462 CD2 TYR B 12 15.544 21.613 17.444 1.00 0.20 C ATOM 1463 CE1 TYR B 12 14.140 22.186 19.795 1.00 0.27 C ATOM 1464 CE2 TYR B 12 14.482 20.793 17.843 1.00 0.24 C ATOM 1465 CZ TYR B 12 13.780 21.079 19.019 1.00 0.27 C ATOM 1466 OH TYR B 12 12.734 20.270 19.413 1.00 0.32 O ATOM 0 H TYR B 12 15.435 24.119 15.963 1.00 0.17 H new ATOM 0 HA TYR B 12 16.001 25.382 18.405 1.00 0.15 H new ATOM 0 HB2 TYR B 12 17.517 23.212 16.879 1.00 0.14 H new ATOM 0 HB3 TYR B 12 17.831 23.622 18.553 1.00 0.14 H new ATOM 0 HD1 TYR B 12 15.476 23.863 19.995 1.00 0.23 H new ATOM 0 HD2 TYR B 12 16.086 21.389 16.537 1.00 0.20 H new ATOM 0 HE1 TYR B 12 13.599 22.407 20.703 1.00 0.27 H new ATOM 0 HE2 TYR B 12 14.204 19.939 17.243 1.00 0.24 H new ATOM 0 HH TYR B 12 12.616 19.548 18.761 1.00 0.32 H new ATOM 1476 N CYS B 13 18.405 25.781 16.167 1.00 0.19 N ATOM 1477 CA CYS B 13 19.568 26.653 15.831 1.00 0.24 C ATOM 1478 C CYS B 13 19.167 28.119 16.003 1.00 0.26 C ATOM 1479 O CYS B 13 19.875 28.902 16.605 1.00 0.33 O ATOM 1480 CB CYS B 13 19.984 26.404 14.377 1.00 0.30 C ATOM 1481 SG CYS B 13 21.101 27.716 13.822 1.00 1.27 S ATOM 0 H CYS B 13 18.197 25.057 15.480 1.00 0.19 H new ATOM 0 HA CYS B 13 20.403 26.424 16.493 1.00 0.24 H new ATOM 0 HB2 CYS B 13 20.476 25.435 14.291 1.00 0.30 H new ATOM 0 HB3 CYS B 13 19.102 26.371 13.738 1.00 0.30 H new ATOM 0 HG CYS B 13 21.450 27.496 12.589 1.00 1.27 H new ATOM 1487 N GLN B 14 18.036 28.495 15.474 1.00 0.24 N ATOM 1488 CA GLN B 14 17.581 29.908 15.599 1.00 0.27 C ATOM 1489 C GLN B 14 17.746 30.375 17.047 1.00 0.24 C ATOM 1490 O GLN B 14 18.222 31.460 17.309 1.00 0.29 O ATOM 1491 CB GLN B 14 16.108 30.000 15.196 1.00 0.32 C ATOM 1492 CG GLN B 14 15.733 31.464 14.964 1.00 0.62 C ATOM 1493 CD GLN B 14 14.245 31.562 14.624 1.00 0.88 C ATOM 1494 OE1 GLN B 14 13.622 32.579 14.855 1.00 1.69 O ATOM 1495 NE2 GLN B 14 13.645 30.538 14.082 1.00 1.44 N ATOM 0 H GLN B 14 17.405 27.882 14.958 1.00 0.24 H new ATOM 0 HA GLN B 14 18.180 30.543 14.947 1.00 0.27 H new ATOM 0 HB2 GLN B 14 15.931 29.420 14.290 1.00 0.32 H new ATOM 0 HB3 GLN B 14 15.479 29.572 15.976 1.00 0.32 H new ATOM 0 HG2 GLN B 14 15.953 32.052 15.855 1.00 0.62 H new ATOM 0 HG3 GLN B 14 16.330 31.879 14.152 1.00 0.62 H new ATOM 0 HE21 GLN B 14 14.168 29.684 13.888 1.00 1.44 H new ATOM 0 HE22 GLN B 14 12.653 30.591 13.852 1.00 1.44 H new ATOM 1504 N LYS B 15 17.361 29.563 17.991 1.00 0.23 N ATOM 1505 CA LYS B 15 17.505 29.966 19.417 1.00 0.23 C ATOM 1506 C LYS B 15 18.994 30.091 19.753 1.00 0.20 C ATOM 1507 O LYS B 15 19.466 31.141 20.143 1.00 0.23 O ATOM 1508 CB LYS B 15 16.864 28.903 20.305 1.00 0.24 C ATOM 1509 CG LYS B 15 15.347 28.897 20.078 1.00 0.55 C ATOM 1510 CD LYS B 15 14.710 27.679 20.762 1.00 1.19 C ATOM 1511 CE LYS B 15 14.536 27.951 22.257 1.00 1.47 C ATOM 1512 NZ LYS B 15 13.704 29.173 22.449 1.00 2.21 N ATOM 0 H LYS B 15 16.954 28.640 17.838 1.00 0.23 H new ATOM 0 HA LYS B 15 17.012 30.924 19.586 1.00 0.23 H new ATOM 0 HB2 LYS B 15 17.281 27.922 20.076 1.00 0.24 H new ATOM 0 HB3 LYS B 15 17.085 29.107 21.353 1.00 0.24 H new ATOM 0 HG2 LYS B 15 14.910 29.814 20.473 1.00 0.55 H new ATOM 0 HG3 LYS B 15 15.133 28.876 19.010 1.00 0.55 H new ATOM 0 HD2 LYS B 15 13.743 27.461 20.309 1.00 1.19 H new ATOM 0 HD3 LYS B 15 15.337 26.799 20.614 1.00 1.19 H new ATOM 0 HE2 LYS B 15 14.062 27.096 22.740 1.00 1.47 H new ATOM 0 HE3 LYS B 15 15.510 28.084 22.729 1.00 1.47 H new ATOM 0 HZ1 LYS B 15 13.025 29.013 23.220 1.00 2.21 H new ATOM 0 HZ2 LYS B 15 14.318 29.977 22.690 1.00 2.21 H new ATOM 0 HZ3 LYS B 15 13.187 29.383 21.571 1.00 2.21 H new ATOM 1526 N LEU B 16 19.741 29.030 19.590 1.00 0.18 N ATOM 1527 CA LEU B 16 21.203 29.088 19.881 1.00 0.17 C ATOM 1528 C LEU B 16 21.792 30.314 19.173 1.00 0.18 C ATOM 1529 O LEU B 16 22.838 30.816 19.530 1.00 0.23 O ATOM 1530 CB LEU B 16 21.863 27.787 19.355 1.00 0.15 C ATOM 1531 CG LEU B 16 22.882 27.239 20.370 1.00 0.15 C ATOM 1532 CD1 LEU B 16 22.151 26.537 21.529 1.00 0.25 C ATOM 1533 CD2 LEU B 16 23.809 26.245 19.658 1.00 0.18 C ATOM 0 H LEU B 16 19.400 28.124 19.267 1.00 0.18 H new ATOM 0 HA LEU B 16 21.386 29.172 20.952 1.00 0.17 H new ATOM 0 HB2 LEU B 16 21.096 27.037 19.163 1.00 0.15 H new ATOM 0 HB3 LEU B 16 22.360 27.985 18.405 1.00 0.15 H new ATOM 0 HG LEU B 16 23.468 28.062 20.778 1.00 0.15 H new ATOM 0 HD11 LEU B 16 22.882 26.153 22.241 1.00 0.25 H new ATOM 0 HD12 LEU B 16 21.495 27.249 22.030 1.00 0.25 H new ATOM 0 HD13 LEU B 16 21.557 25.711 21.138 1.00 0.25 H new ATOM 0 HD21 LEU B 16 24.535 25.851 20.369 1.00 0.18 H new ATOM 0 HD22 LEU B 16 23.218 25.425 19.250 1.00 0.18 H new ATOM 0 HD23 LEU B 16 24.333 26.752 18.848 1.00 0.18 H new ATOM 1545 N LEU B 17 21.115 30.786 18.165 1.00 0.17 N ATOM 1546 CA LEU B 17 21.604 31.970 17.409 1.00 0.19 C ATOM 1547 C LEU B 17 21.194 33.251 18.144 1.00 0.22 C ATOM 1548 O LEU B 17 22.018 34.072 18.495 1.00 0.30 O ATOM 1549 CB LEU B 17 20.972 31.938 16.011 1.00 0.19 C ATOM 1550 CG LEU B 17 21.817 32.743 15.006 1.00 0.22 C ATOM 1551 CD1 LEU B 17 23.060 31.938 14.574 1.00 0.14 C ATOM 1552 CD2 LEU B 17 20.957 33.079 13.767 1.00 0.33 C ATOM 0 H LEU B 17 20.234 30.397 17.829 1.00 0.17 H new ATOM 0 HA LEU B 17 22.691 31.950 17.326 1.00 0.19 H new ATOM 0 HB2 LEU B 17 20.882 30.906 15.672 1.00 0.19 H new ATOM 0 HB3 LEU B 17 19.963 32.348 16.054 1.00 0.19 H new ATOM 0 HG LEU B 17 22.150 33.664 15.484 1.00 0.22 H new ATOM 0 HD11 LEU B 17 23.644 32.524 13.864 1.00 0.14 H new ATOM 0 HD12 LEU B 17 23.671 31.714 15.449 1.00 0.14 H new ATOM 0 HD13 LEU B 17 22.745 31.007 14.104 1.00 0.14 H new ATOM 0 HD21 LEU B 17 21.553 33.649 13.054 1.00 0.33 H new ATOM 0 HD22 LEU B 17 20.617 32.155 13.299 1.00 0.33 H new ATOM 0 HD23 LEU B 17 20.094 33.670 14.073 1.00 0.33 H new ATOM 1564 N GLU B 18 19.923 33.421 18.379 1.00 0.20 N ATOM 1565 CA GLU B 18 19.446 34.641 19.091 1.00 0.24 C ATOM 1566 C GLU B 18 20.025 34.656 20.502 1.00 0.22 C ATOM 1567 O GLU B 18 20.619 35.623 20.936 1.00 0.26 O ATOM 1568 CB GLU B 18 17.918 34.613 19.191 1.00 0.30 C ATOM 1569 CG GLU B 18 17.298 34.471 17.796 1.00 1.05 C ATOM 1570 CD GLU B 18 17.251 35.837 17.103 1.00 1.67 C ATOM 1571 OE1 GLU B 18 16.502 36.685 17.558 1.00 2.17 O ATOM 1572 OE2 GLU B 18 17.965 36.009 16.128 1.00 2.29 O ATOM 0 H GLU B 18 19.190 32.765 18.108 1.00 0.20 H new ATOM 0 HA GLU B 18 19.765 35.527 18.542 1.00 0.24 H new ATOM 0 HB2 GLU B 18 17.603 33.783 19.823 1.00 0.30 H new ATOM 0 HB3 GLU B 18 17.561 35.527 19.664 1.00 0.30 H new ATOM 0 HG2 GLU B 18 17.882 33.771 17.199 1.00 1.05 H new ATOM 0 HG3 GLU B 18 16.292 34.060 17.876 1.00 1.05 H new ATOM 1579 N LYS B 19 19.844 33.586 21.223 1.00 0.19 N ATOM 1580 CA LYS B 19 20.369 33.521 22.618 1.00 0.20 C ATOM 1581 C LYS B 19 21.814 34.033 22.652 1.00 0.19 C ATOM 1582 O LYS B 19 22.152 34.902 23.430 1.00 0.26 O ATOM 1583 CB LYS B 19 20.313 32.072 23.108 1.00 0.21 C ATOM 1584 CG LYS B 19 20.345 32.049 24.639 1.00 0.29 C ATOM 1585 CD LYS B 19 20.369 30.601 25.146 1.00 0.33 C ATOM 1586 CE LYS B 19 18.945 30.034 25.196 1.00 0.95 C ATOM 1587 NZ LYS B 19 18.982 28.652 25.754 1.00 1.68 N ATOM 0 H LYS B 19 19.353 32.750 20.907 1.00 0.19 H new ATOM 0 HA LYS B 19 19.760 34.147 23.270 1.00 0.20 H new ATOM 0 HB2 LYS B 19 19.406 31.589 22.745 1.00 0.21 H new ATOM 0 HB3 LYS B 19 21.156 31.509 22.708 1.00 0.21 H new ATOM 0 HG2 LYS B 19 21.224 32.583 25.000 1.00 0.29 H new ATOM 0 HG3 LYS B 19 19.472 32.567 25.036 1.00 0.29 H new ATOM 0 HD2 LYS B 19 20.989 29.989 24.491 1.00 0.33 H new ATOM 0 HD3 LYS B 19 20.819 30.563 26.138 1.00 0.33 H new ATOM 0 HE2 LYS B 19 18.310 30.670 25.812 1.00 0.95 H new ATOM 0 HE3 LYS B 19 18.511 30.023 24.196 1.00 0.95 H new ATOM 0 HZ1 LYS B 19 18.017 28.266 25.789 1.00 1.68 H new ATOM 0 HZ2 LYS B 19 19.575 28.049 25.149 1.00 1.68 H new ATOM 0 HZ3 LYS B 19 19.380 28.676 26.715 1.00 1.68 H new ATOM 1601 N PHE B 20 22.666 33.516 21.808 1.00 0.15 N ATOM 1602 CA PHE B 20 24.075 33.992 21.789 1.00 0.15 C ATOM 1603 C PHE B 20 24.151 35.237 20.901 1.00 0.16 C ATOM 1604 O PHE B 20 25.213 35.654 20.483 1.00 0.25 O ATOM 1605 CB PHE B 20 24.971 32.891 21.221 1.00 0.14 C ATOM 1606 CG PHE B 20 25.217 31.831 22.275 1.00 0.13 C ATOM 1607 CD1 PHE B 20 24.222 30.883 22.538 1.00 0.14 C ATOM 1608 CD2 PHE B 20 26.430 31.791 22.989 1.00 0.14 C ATOM 1609 CE1 PHE B 20 24.430 29.897 23.508 1.00 0.14 C ATOM 1610 CE2 PHE B 20 26.633 30.801 23.959 1.00 0.15 C ATOM 1611 CZ PHE B 20 25.633 29.856 24.217 1.00 0.14 C ATOM 0 H PHE B 20 22.445 32.785 21.132 1.00 0.15 H new ATOM 0 HA PHE B 20 24.410 34.236 22.797 1.00 0.15 H new ATOM 0 HB2 PHE B 20 24.501 32.443 20.345 1.00 0.14 H new ATOM 0 HB3 PHE B 20 25.919 33.316 20.892 1.00 0.14 H new ATOM 0 HD1 PHE B 20 23.291 30.913 21.991 1.00 0.14 H new ATOM 0 HD2 PHE B 20 27.201 32.521 22.790 1.00 0.14 H new ATOM 0 HE1 PHE B 20 23.660 29.167 23.709 1.00 0.14 H new ATOM 0 HE2 PHE B 20 27.562 30.767 24.508 1.00 0.15 H new ATOM 0 HZ PHE B 20 25.792 29.094 24.966 1.00 0.14 H new ATOM 1621 N ARG B 21 23.012 35.823 20.620 1.00 0.15 N ATOM 1622 CA ARG B 21 22.949 37.053 19.767 1.00 0.17 C ATOM 1623 C ARG B 21 23.983 36.990 18.627 1.00 0.14 C ATOM 1624 O ARG B 21 24.685 37.945 18.358 1.00 0.18 O ATOM 1625 CB ARG B 21 23.155 38.322 20.637 1.00 0.23 C ATOM 1626 CG ARG B 21 24.032 38.015 21.859 1.00 0.58 C ATOM 1627 CD ARG B 21 24.177 39.275 22.718 1.00 1.16 C ATOM 1628 NE ARG B 21 25.200 40.176 22.116 1.00 1.87 N ATOM 1629 CZ ARG B 21 25.278 41.421 22.500 1.00 2.62 C ATOM 1630 NH1 ARG B 21 24.457 41.876 23.407 1.00 2.94 N ATOM 1631 NH2 ARG B 21 26.177 42.211 21.979 1.00 3.56 N ATOM 0 H ARG B 21 22.105 35.494 20.952 1.00 0.15 H new ATOM 0 HA ARG B 21 21.960 37.105 19.311 1.00 0.17 H new ATOM 0 HB2 ARG B 21 23.620 39.106 20.039 1.00 0.23 H new ATOM 0 HB3 ARG B 21 22.188 38.703 20.965 1.00 0.23 H new ATOM 0 HG2 ARG B 21 23.587 37.212 22.446 1.00 0.58 H new ATOM 0 HG3 ARG B 21 25.014 37.668 21.537 1.00 0.58 H new ATOM 0 HD2 ARG B 21 23.220 39.791 22.789 1.00 1.16 H new ATOM 0 HD3 ARG B 21 24.469 39.004 23.733 1.00 1.16 H new ATOM 0 HE ARG B 21 25.839 39.820 21.405 1.00 1.87 H new ATOM 0 HH11 ARG B 21 23.755 41.259 23.815 1.00 2.94 H new ATOM 0 HH12 ARG B 21 24.517 42.849 23.708 1.00 2.94 H new ATOM 0 HH21 ARG B 21 26.819 41.856 21.271 1.00 3.56 H new ATOM 0 HH22 ARG B 21 26.237 43.184 22.280 1.00 3.56 H new ATOM 1645 N TYR B 22 24.075 35.878 17.937 1.00 0.14 N ATOM 1646 CA TYR B 22 25.051 35.781 16.806 1.00 0.13 C ATOM 1647 C TYR B 22 24.359 36.286 15.513 1.00 0.15 C ATOM 1648 O TYR B 22 23.150 36.217 15.418 1.00 0.16 O ATOM 1649 CB TYR B 22 25.461 34.307 16.612 1.00 0.12 C ATOM 1650 CG TYR B 22 26.637 33.922 17.508 1.00 0.13 C ATOM 1651 CD1 TYR B 22 27.840 34.656 17.492 1.00 0.14 C ATOM 1652 CD2 TYR B 22 26.526 32.802 18.346 1.00 0.14 C ATOM 1653 CE1 TYR B 22 28.909 34.268 18.306 1.00 0.17 C ATOM 1654 CE2 TYR B 22 27.598 32.422 19.160 1.00 0.17 C ATOM 1655 CZ TYR B 22 28.787 33.154 19.139 1.00 0.18 C ATOM 1656 OH TYR B 22 29.844 32.774 19.935 1.00 0.21 O ATOM 0 H TYR B 22 23.520 35.039 18.107 1.00 0.14 H new ATOM 0 HA TYR B 22 25.935 36.381 17.023 1.00 0.13 H new ATOM 0 HB2 TYR B 22 24.611 33.661 16.831 1.00 0.12 H new ATOM 0 HB3 TYR B 22 25.729 34.139 15.569 1.00 0.12 H new ATOM 0 HD1 TYR B 22 27.936 35.519 16.850 1.00 0.14 H new ATOM 0 HD2 TYR B 22 25.609 32.231 18.362 1.00 0.14 H new ATOM 0 HE1 TYR B 22 29.831 34.831 18.290 1.00 0.17 H new ATOM 0 HE2 TYR B 22 27.506 31.561 19.806 1.00 0.17 H new ATOM 0 HH TYR B 22 30.015 31.816 19.817 1.00 0.21 H new ATOM 1666 N PRO B 23 25.128 36.759 14.541 1.00 0.16 N ATOM 1667 CA PRO B 23 24.550 37.235 13.267 1.00 0.18 C ATOM 1668 C PRO B 23 23.829 36.083 12.546 1.00 0.19 C ATOM 1669 O PRO B 23 23.830 34.953 12.992 1.00 0.19 O ATOM 1670 CB PRO B 23 25.754 37.744 12.438 1.00 0.19 C ATOM 1671 CG PRO B 23 27.040 37.430 13.250 1.00 0.17 C ATOM 1672 CD PRO B 23 26.601 36.867 14.621 1.00 0.15 C ATOM 0 HA PRO B 23 23.809 38.020 13.417 1.00 0.18 H new ATOM 0 HB2 PRO B 23 25.785 37.254 11.465 1.00 0.19 H new ATOM 0 HB3 PRO B 23 25.668 38.815 12.253 1.00 0.19 H new ATOM 0 HG2 PRO B 23 27.661 36.707 12.720 1.00 0.17 H new ATOM 0 HG3 PRO B 23 27.640 38.331 13.380 1.00 0.17 H new ATOM 0 HD2 PRO B 23 27.057 35.896 14.813 1.00 0.15 H new ATOM 0 HD3 PRO B 23 26.904 37.527 15.433 1.00 0.15 H new ATOM 1680 N TRP B 24 23.211 36.379 11.436 1.00 0.22 N ATOM 1681 CA TRP B 24 22.473 35.335 10.664 1.00 0.24 C ATOM 1682 C TRP B 24 23.449 34.485 9.832 1.00 0.25 C ATOM 1683 O TRP B 24 23.086 33.450 9.308 1.00 0.34 O ATOM 1684 CB TRP B 24 21.468 36.033 9.736 1.00 0.28 C ATOM 1685 CG TRP B 24 20.909 35.061 8.742 1.00 0.53 C ATOM 1686 CD1 TRP B 24 21.341 34.927 7.467 1.00 1.45 C ATOM 1687 CD2 TRP B 24 19.831 34.095 8.914 1.00 0.35 C ATOM 1688 NE1 TRP B 24 20.598 33.941 6.845 1.00 1.68 N ATOM 1689 CE2 TRP B 24 19.655 33.398 7.695 1.00 0.93 C ATOM 1690 CE3 TRP B 24 18.999 33.758 9.997 1.00 0.96 C ATOM 1691 CZ2 TRP B 24 18.686 32.404 7.554 1.00 0.85 C ATOM 1692 CZ3 TRP B 24 18.022 32.757 9.857 1.00 1.15 C ATOM 1693 CH2 TRP B 24 17.867 32.082 8.637 1.00 0.63 C ATOM 0 H TRP B 24 23.185 37.312 11.024 1.00 0.22 H new ATOM 0 HA TRP B 24 21.951 34.673 11.355 1.00 0.24 H new ATOM 0 HB2 TRP B 24 20.659 36.465 10.325 1.00 0.28 H new ATOM 0 HB3 TRP B 24 21.957 36.856 9.214 1.00 0.28 H new ATOM 0 HD1 TRP B 24 22.136 35.497 7.010 1.00 1.45 H new ATOM 0 HE1 TRP B 24 20.730 33.650 5.876 1.00 1.68 H new ATOM 0 HE3 TRP B 24 19.111 34.271 10.941 1.00 0.96 H new ATOM 0 HZ2 TRP B 24 18.571 31.887 6.613 1.00 0.85 H new ATOM 0 HZ3 TRP B 24 17.387 32.506 10.694 1.00 1.15 H new ATOM 0 HH2 TRP B 24 17.115 31.314 8.536 1.00 0.63 H new ATOM 1704 N GLU B 25 24.668 34.922 9.677 1.00 0.21 N ATOM 1705 CA GLU B 25 25.638 34.146 8.844 1.00 0.24 C ATOM 1706 C GLU B 25 26.242 32.966 9.624 1.00 0.21 C ATOM 1707 O GLU B 25 26.861 32.097 9.041 1.00 0.24 O ATOM 1708 CB GLU B 25 26.765 35.079 8.393 1.00 0.31 C ATOM 1709 CG GLU B 25 27.765 34.302 7.531 1.00 1.20 C ATOM 1710 CD GLU B 25 28.662 35.285 6.776 1.00 1.43 C ATOM 1711 OE1 GLU B 25 28.190 35.868 5.813 1.00 1.99 O ATOM 1712 OE2 GLU B 25 29.805 35.438 7.173 1.00 1.86 O ATOM 0 H GLU B 25 25.037 35.780 10.088 1.00 0.21 H new ATOM 0 HA GLU B 25 25.102 33.743 7.985 1.00 0.24 H new ATOM 0 HB2 GLU B 25 26.354 35.914 7.826 1.00 0.31 H new ATOM 0 HB3 GLU B 25 27.270 35.501 9.262 1.00 0.31 H new ATOM 0 HG2 GLU B 25 28.371 33.649 8.159 1.00 1.20 H new ATOM 0 HG3 GLU B 25 27.234 33.663 6.826 1.00 1.20 H new ATOM 1719 N LEU B 26 26.095 32.920 10.926 1.00 0.16 N ATOM 1720 CA LEU B 26 26.699 31.783 11.701 1.00 0.15 C ATOM 1721 C LEU B 26 25.692 30.652 11.905 1.00 0.15 C ATOM 1722 O LEU B 26 25.779 29.914 12.864 1.00 0.19 O ATOM 1723 CB LEU B 26 27.159 32.273 13.074 1.00 0.13 C ATOM 1724 CG LEU B 26 27.954 33.572 12.940 1.00 0.13 C ATOM 1725 CD1 LEU B 26 28.651 33.858 14.268 1.00 0.14 C ATOM 1726 CD2 LEU B 26 29.007 33.441 11.830 1.00 0.14 C ATOM 0 H LEU B 26 25.590 33.610 11.483 1.00 0.16 H new ATOM 0 HA LEU B 26 27.546 31.408 11.126 1.00 0.15 H new ATOM 0 HB2 LEU B 26 26.294 32.434 13.718 1.00 0.13 H new ATOM 0 HB3 LEU B 26 27.775 31.511 13.551 1.00 0.13 H new ATOM 0 HG LEU B 26 27.276 34.386 12.684 1.00 0.13 H new ATOM 0 HD11 LEU B 26 29.223 34.783 14.187 1.00 0.14 H new ATOM 0 HD12 LEU B 26 27.905 33.960 15.056 1.00 0.14 H new ATOM 0 HD13 LEU B 26 29.324 33.035 14.510 1.00 0.14 H new ATOM 0 HD21 LEU B 26 29.565 34.373 11.746 1.00 0.14 H new ATOM 0 HD22 LEU B 26 29.692 32.629 12.072 1.00 0.14 H new ATOM 0 HD23 LEU B 26 28.512 33.228 10.882 1.00 0.14 H new ATOM 1738 N MET B 27 24.750 30.483 11.023 1.00 0.15 N ATOM 1739 CA MET B 27 23.782 29.372 11.213 1.00 0.17 C ATOM 1740 C MET B 27 24.463 28.004 10.963 1.00 0.14 C ATOM 1741 O MET B 27 24.152 27.057 11.658 1.00 0.19 O ATOM 1742 CB MET B 27 22.566 29.555 10.286 1.00 0.20 C ATOM 1743 CG MET B 27 21.584 30.553 10.906 1.00 0.39 C ATOM 1744 SD MET B 27 20.112 30.661 9.865 1.00 1.31 S ATOM 1745 CE MET B 27 19.207 29.266 10.581 1.00 0.45 C ATOM 0 H MET B 27 24.609 31.056 10.191 1.00 0.15 H new ATOM 0 HA MET B 27 23.433 29.392 12.245 1.00 0.17 H new ATOM 0 HB2 MET B 27 22.893 29.912 9.309 1.00 0.20 H new ATOM 0 HB3 MET B 27 22.072 28.597 10.126 1.00 0.20 H new ATOM 0 HG2 MET B 27 21.310 30.235 11.912 1.00 0.39 H new ATOM 0 HG3 MET B 27 22.052 31.533 10.998 1.00 0.39 H new ATOM 0 HE1 MET B 27 18.242 29.165 10.085 1.00 0.45 H new ATOM 0 HE2 MET B 27 19.783 28.350 10.445 1.00 0.45 H new ATOM 0 HE3 MET B 27 19.051 29.441 11.645 1.00 0.45 H new ATOM 1755 N PRO B 28 25.371 27.906 9.999 1.00 0.09 N ATOM 1756 CA PRO B 28 26.053 26.622 9.727 1.00 0.09 C ATOM 1757 C PRO B 28 26.818 26.142 10.970 1.00 0.09 C ATOM 1758 O PRO B 28 26.978 24.961 11.188 1.00 0.14 O ATOM 1759 CB PRO B 28 27.007 26.926 8.552 1.00 0.10 C ATOM 1760 CG PRO B 28 26.600 28.315 7.998 1.00 0.12 C ATOM 1761 CD PRO B 28 25.794 29.011 9.105 1.00 0.12 C ATOM 0 HA PRO B 28 25.356 25.821 9.480 1.00 0.09 H new ATOM 0 HB2 PRO B 28 28.044 26.931 8.887 1.00 0.10 H new ATOM 0 HB3 PRO B 28 26.925 26.162 7.779 1.00 0.10 H new ATOM 0 HG2 PRO B 28 27.481 28.900 7.734 1.00 0.12 H new ATOM 0 HG3 PRO B 28 26.003 28.211 7.092 1.00 0.12 H new ATOM 0 HD2 PRO B 28 26.400 29.744 9.638 1.00 0.12 H new ATOM 0 HD3 PRO B 28 24.935 29.544 8.697 1.00 0.12 H new ATOM 1769 N LEU B 29 27.290 27.041 11.789 1.00 0.10 N ATOM 1770 CA LEU B 29 28.029 26.606 13.008 1.00 0.09 C ATOM 1771 C LEU B 29 27.014 26.179 14.068 1.00 0.10 C ATOM 1772 O LEU B 29 27.139 25.133 14.673 1.00 0.16 O ATOM 1773 CB LEU B 29 28.895 27.756 13.523 1.00 0.08 C ATOM 1774 CG LEU B 29 29.675 28.355 12.347 1.00 0.09 C ATOM 1775 CD1 LEU B 29 30.606 29.462 12.856 1.00 0.12 C ATOM 1776 CD2 LEU B 29 30.499 27.248 11.662 1.00 0.09 C ATOM 0 H LEU B 29 27.197 28.050 11.669 1.00 0.10 H new ATOM 0 HA LEU B 29 28.682 25.765 12.774 1.00 0.09 H new ATOM 0 HB2 LEU B 29 28.271 28.519 13.989 1.00 0.08 H new ATOM 0 HB3 LEU B 29 29.583 27.396 14.288 1.00 0.08 H new ATOM 0 HG LEU B 29 28.978 28.782 11.626 1.00 0.09 H new ATOM 0 HD11 LEU B 29 31.159 29.886 12.018 1.00 0.12 H new ATOM 0 HD12 LEU B 29 30.015 30.244 13.333 1.00 0.12 H new ATOM 0 HD13 LEU B 29 31.307 29.044 13.579 1.00 0.12 H new ATOM 0 HD21 LEU B 29 31.054 27.672 10.826 1.00 0.09 H new ATOM 0 HD22 LEU B 29 31.197 26.817 12.380 1.00 0.09 H new ATOM 0 HD23 LEU B 29 29.829 26.470 11.295 1.00 0.09 H new ATOM 1788 N MET B 30 25.988 26.960 14.276 1.00 0.10 N ATOM 1789 CA MET B 30 24.952 26.567 15.267 1.00 0.12 C ATOM 1790 C MET B 30 24.328 25.256 14.785 1.00 0.10 C ATOM 1791 O MET B 30 23.784 24.484 15.550 1.00 0.13 O ATOM 1792 CB MET B 30 23.873 27.656 15.332 1.00 0.16 C ATOM 1793 CG MET B 30 24.327 28.790 16.253 1.00 0.19 C ATOM 1794 SD MET B 30 25.775 29.606 15.533 1.00 1.23 S ATOM 1795 CE MET B 30 26.763 29.733 17.042 1.00 0.22 C ATOM 0 H MET B 30 25.825 27.849 13.803 1.00 0.10 H new ATOM 0 HA MET B 30 25.389 26.443 16.258 1.00 0.12 H new ATOM 0 HB2 MET B 30 23.677 28.045 14.333 1.00 0.16 H new ATOM 0 HB3 MET B 30 22.938 27.232 15.698 1.00 0.16 H new ATOM 0 HG2 MET B 30 23.519 29.510 16.387 1.00 0.19 H new ATOM 0 HG3 MET B 30 24.571 28.396 17.240 1.00 0.19 H new ATOM 0 HE1 MET B 30 27.513 30.514 16.921 1.00 0.22 H new ATOM 0 HE2 MET B 30 26.114 29.980 17.882 1.00 0.22 H new ATOM 0 HE3 MET B 30 27.258 28.781 17.234 1.00 0.22 H new ATOM 1805 N TYR B 31 24.411 25.013 13.505 1.00 0.08 N ATOM 1806 CA TYR B 31 23.837 23.768 12.925 1.00 0.08 C ATOM 1807 C TYR B 31 24.701 22.571 13.326 1.00 0.08 C ATOM 1808 O TYR B 31 24.200 21.521 13.674 1.00 0.09 O ATOM 1809 CB TYR B 31 23.818 23.900 11.397 1.00 0.09 C ATOM 1810 CG TYR B 31 23.452 22.583 10.755 1.00 0.09 C ATOM 1811 CD1 TYR B 31 22.110 22.269 10.513 1.00 0.10 C ATOM 1812 CD2 TYR B 31 24.459 21.681 10.391 1.00 0.10 C ATOM 1813 CE1 TYR B 31 21.774 21.051 9.910 1.00 0.11 C ATOM 1814 CE2 TYR B 31 24.124 20.464 9.786 1.00 0.11 C ATOM 1815 CZ TYR B 31 22.781 20.149 9.546 1.00 0.11 C ATOM 1816 OH TYR B 31 22.450 18.950 8.950 1.00 0.13 O ATOM 0 H TYR B 31 24.858 25.633 12.829 1.00 0.08 H new ATOM 0 HA TYR B 31 22.824 23.617 13.297 1.00 0.08 H new ATOM 0 HB2 TYR B 31 23.102 24.666 11.102 1.00 0.09 H new ATOM 0 HB3 TYR B 31 24.796 24.224 11.042 1.00 0.09 H new ATOM 0 HD1 TYR B 31 21.334 22.966 10.791 1.00 0.10 H new ATOM 0 HD2 TYR B 31 25.495 21.924 10.577 1.00 0.10 H new ATOM 0 HE1 TYR B 31 20.738 20.807 9.726 1.00 0.11 H new ATOM 0 HE2 TYR B 31 24.901 19.769 9.505 1.00 0.11 H new ATOM 0 HH TYR B 31 23.267 18.442 8.761 1.00 0.13 H new ATOM 1826 N VAL B 32 25.996 22.718 13.271 1.00 0.08 N ATOM 1827 CA VAL B 32 26.884 21.583 13.639 1.00 0.08 C ATOM 1828 C VAL B 32 26.851 21.361 15.153 1.00 0.08 C ATOM 1829 O VAL B 32 26.618 20.263 15.619 1.00 0.10 O ATOM 1830 CB VAL B 32 28.321 21.883 13.189 1.00 0.08 C ATOM 1831 CG1 VAL B 32 29.260 20.790 13.714 1.00 0.08 C ATOM 1832 CG2 VAL B 32 28.379 21.923 11.652 1.00 0.08 C ATOM 0 H VAL B 32 26.475 23.573 12.988 1.00 0.08 H new ATOM 0 HA VAL B 32 26.532 20.680 13.141 1.00 0.08 H new ATOM 0 HB VAL B 32 28.634 22.848 13.587 1.00 0.08 H new ATOM 0 HG11 VAL B 32 30.280 21.003 13.395 1.00 0.08 H new ATOM 0 HG12 VAL B 32 29.218 20.766 14.803 1.00 0.08 H new ATOM 0 HG13 VAL B 32 28.950 19.823 13.318 1.00 0.08 H new ATOM 0 HG21 VAL B 32 29.399 22.136 11.332 1.00 0.08 H new ATOM 0 HG22 VAL B 32 28.067 20.959 11.251 1.00 0.08 H new ATOM 0 HG23 VAL B 32 27.713 22.703 11.283 1.00 0.08 H new ATOM 1842 N ILE B 33 27.085 22.387 15.926 1.00 0.08 N ATOM 1843 CA ILE B 33 27.070 22.228 17.407 1.00 0.08 C ATOM 1844 C ILE B 33 25.836 21.409 17.831 1.00 0.09 C ATOM 1845 O ILE B 33 25.955 20.420 18.526 1.00 0.10 O ATOM 1846 CB ILE B 33 27.069 23.624 18.038 1.00 0.08 C ATOM 1847 CG1 ILE B 33 28.454 24.247 17.833 1.00 0.09 C ATOM 1848 CG2 ILE B 33 26.772 23.533 19.532 1.00 0.09 C ATOM 1849 CD1 ILE B 33 28.445 25.724 18.233 1.00 0.08 C ATOM 0 H ILE B 33 27.286 23.330 15.594 1.00 0.08 H new ATOM 0 HA ILE B 33 27.952 21.686 17.749 1.00 0.08 H new ATOM 0 HB ILE B 33 26.299 24.236 17.568 1.00 0.08 H new ATOM 0 HG12 ILE B 33 29.192 23.708 18.427 1.00 0.09 H new ATOM 0 HG13 ILE B 33 28.752 24.149 16.789 1.00 0.09 H new ATOM 0 HG21 ILE B 33 26.775 24.533 19.965 1.00 0.09 H new ATOM 0 HG22 ILE B 33 25.794 23.076 19.681 1.00 0.09 H new ATOM 0 HG23 ILE B 33 27.535 22.925 20.018 1.00 0.09 H new ATOM 0 HD11 ILE B 33 29.437 26.148 18.080 1.00 0.08 H new ATOM 0 HD12 ILE B 33 27.722 26.262 17.620 1.00 0.08 H new ATOM 0 HD13 ILE B 33 28.169 25.815 19.284 1.00 0.08 H new ATOM 1861 N LEU B 34 24.662 21.787 17.398 1.00 0.08 N ATOM 1862 CA LEU B 34 23.439 21.002 17.754 1.00 0.09 C ATOM 1863 C LEU B 34 23.598 19.572 17.205 1.00 0.12 C ATOM 1864 O LEU B 34 23.349 18.603 17.894 1.00 0.16 O ATOM 1865 CB LEU B 34 22.208 21.700 17.101 1.00 0.10 C ATOM 1866 CG LEU B 34 21.291 22.489 18.105 1.00 0.10 C ATOM 1867 CD1 LEU B 34 22.006 22.902 19.406 1.00 0.10 C ATOM 1868 CD2 LEU B 34 20.777 23.756 17.408 1.00 0.11 C ATOM 0 H LEU B 34 24.495 22.606 16.813 1.00 0.08 H new ATOM 0 HA LEU B 34 23.300 20.955 18.834 1.00 0.09 H new ATOM 0 HB2 LEU B 34 22.563 22.390 16.335 1.00 0.10 H new ATOM 0 HB3 LEU B 34 21.605 20.945 16.596 1.00 0.10 H new ATOM 0 HG LEU B 34 20.481 21.816 18.387 1.00 0.10 H new ATOM 0 HD11 LEU B 34 21.310 23.442 20.048 1.00 0.10 H new ATOM 0 HD12 LEU B 34 22.362 22.011 19.924 1.00 0.10 H new ATOM 0 HD13 LEU B 34 22.853 23.545 19.167 1.00 0.10 H new ATOM 0 HD21 LEU B 34 20.139 24.314 18.093 1.00 0.11 H new ATOM 0 HD22 LEU B 34 21.623 24.377 17.112 1.00 0.11 H new ATOM 0 HD23 LEU B 34 20.204 23.478 16.523 1.00 0.11 H new ATOM 1880 N LYS B 35 24.004 19.436 15.974 1.00 0.13 N ATOM 1881 CA LYS B 35 24.170 18.073 15.387 1.00 0.17 C ATOM 1882 C LYS B 35 25.000 17.196 16.327 1.00 0.19 C ATOM 1883 O LYS B 35 24.791 16.003 16.421 1.00 0.28 O ATOM 1884 CB LYS B 35 24.884 18.190 14.038 1.00 0.16 C ATOM 1885 CG LYS B 35 24.733 16.881 13.262 1.00 0.19 C ATOM 1886 CD LYS B 35 25.591 16.937 11.996 1.00 0.26 C ATOM 1887 CE LYS B 35 25.230 15.762 11.085 1.00 0.70 C ATOM 1888 NZ LYS B 35 25.532 14.482 11.785 1.00 1.58 N ATOM 0 H LYS B 35 24.229 20.209 15.347 1.00 0.13 H new ATOM 0 HA LYS B 35 23.189 17.618 15.249 1.00 0.17 H new ATOM 0 HB2 LYS B 35 24.464 19.016 13.463 1.00 0.16 H new ATOM 0 HB3 LYS B 35 25.940 18.413 14.192 1.00 0.16 H new ATOM 0 HG2 LYS B 35 25.038 16.040 13.884 1.00 0.19 H new ATOM 0 HG3 LYS B 35 23.688 16.720 12.999 1.00 0.19 H new ATOM 0 HD2 LYS B 35 25.427 17.880 11.474 1.00 0.26 H new ATOM 0 HD3 LYS B 35 26.648 16.897 12.258 1.00 0.26 H new ATOM 0 HE2 LYS B 35 24.173 15.804 10.820 1.00 0.70 H new ATOM 0 HE3 LYS B 35 25.794 15.822 10.154 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 25.499 13.697 11.103 1.00 1.58 H new ATOM 0 HZ2 LYS B 35 26.480 14.533 12.209 1.00 1.58 H new ATOM 0 HZ3 LYS B 35 24.827 14.321 12.533 1.00 1.58 H new ATOM 1902 N ASP B 36 25.946 17.771 17.019 1.00 0.23 N ATOM 1903 CA ASP B 36 26.793 16.964 17.944 1.00 0.28 C ATOM 1904 C ASP B 36 26.118 16.861 19.312 1.00 0.26 C ATOM 1905 O ASP B 36 26.111 15.820 19.938 1.00 0.39 O ATOM 1906 CB ASP B 36 28.151 17.646 18.100 1.00 0.34 C ATOM 1907 CG ASP B 36 28.929 17.538 16.788 1.00 1.23 C ATOM 1908 OD1 ASP B 36 29.292 16.431 16.426 1.00 1.92 O ATOM 1909 OD2 ASP B 36 29.149 18.565 16.166 1.00 1.96 O ATOM 0 H ASP B 36 26.169 18.766 16.984 1.00 0.23 H new ATOM 0 HA ASP B 36 26.924 15.963 17.534 1.00 0.28 H new ATOM 0 HB2 ASP B 36 28.015 18.693 18.370 1.00 0.34 H new ATOM 0 HB3 ASP B 36 28.714 17.179 18.908 1.00 0.34 H new ATOM 1914 N ALA B 37 25.562 17.940 19.783 1.00 0.21 N ATOM 1915 CA ALA B 37 24.896 17.924 21.115 1.00 0.21 C ATOM 1916 C ALA B 37 23.529 17.262 21.008 1.00 0.20 C ATOM 1917 O ALA B 37 22.586 17.671 21.655 1.00 0.24 O ATOM 1918 CB ALA B 37 24.706 19.358 21.588 1.00 0.22 C ATOM 0 H ALA B 37 25.540 18.838 19.300 1.00 0.21 H new ATOM 0 HA ALA B 37 25.515 17.367 21.818 1.00 0.21 H new ATOM 0 HB1 ALA B 37 24.219 19.358 22.563 1.00 0.22 H new ATOM 0 HB2 ALA B 37 25.677 19.847 21.668 1.00 0.22 H new ATOM 0 HB3 ALA B 37 24.086 19.898 20.873 1.00 0.22 H new ATOM 1924 N ASP B 38 23.396 16.257 20.194 1.00 0.20 N ATOM 1925 CA ASP B 38 22.067 15.609 20.060 1.00 0.21 C ATOM 1926 C ASP B 38 21.050 16.697 19.720 1.00 0.18 C ATOM 1927 O ASP B 38 19.855 16.522 19.844 1.00 0.21 O ATOM 1928 CB ASP B 38 21.696 14.935 21.388 1.00 0.28 C ATOM 1929 CG ASP B 38 20.649 13.845 21.142 1.00 1.00 C ATOM 1930 OD1 ASP B 38 19.945 13.941 20.150 1.00 1.59 O ATOM 1931 OD2 ASP B 38 20.569 12.934 21.949 1.00 1.86 O ATOM 0 H ASP B 38 24.141 15.860 19.621 1.00 0.20 H new ATOM 0 HA ASP B 38 22.080 14.851 19.277 1.00 0.21 H new ATOM 0 HB2 ASP B 38 22.585 14.502 21.847 1.00 0.28 H new ATOM 0 HB3 ASP B 38 21.306 15.676 22.086 1.00 0.28 H new ATOM 1936 N ALA B 39 21.547 17.827 19.305 1.00 0.14 N ATOM 1937 CA ALA B 39 20.671 18.970 18.956 1.00 0.14 C ATOM 1938 C ALA B 39 19.935 19.454 20.206 1.00 0.15 C ATOM 1939 O ALA B 39 19.010 20.238 20.130 1.00 0.18 O ATOM 1940 CB ALA B 39 19.671 18.555 17.882 1.00 0.16 C ATOM 0 H ALA B 39 22.545 18.007 19.192 1.00 0.14 H new ATOM 0 HA ALA B 39 21.282 19.784 18.566 1.00 0.14 H new ATOM 0 HB1 ALA B 39 19.032 19.402 17.633 1.00 0.16 H new ATOM 0 HB2 ALA B 39 20.208 18.231 16.991 1.00 0.16 H new ATOM 0 HB3 ALA B 39 19.057 17.735 18.254 1.00 0.16 H new ATOM 1946 N ASN B 40 20.349 19.003 21.359 1.00 0.15 N ATOM 1947 CA ASN B 40 19.686 19.447 22.618 1.00 0.18 C ATOM 1948 C ASN B 40 20.286 20.799 23.022 1.00 0.15 C ATOM 1949 O ASN B 40 21.361 20.868 23.584 1.00 0.15 O ATOM 1950 CB ASN B 40 19.932 18.389 23.725 1.00 0.23 C ATOM 1951 CG ASN B 40 18.632 17.642 24.051 1.00 0.91 C ATOM 1952 OD1 ASN B 40 18.445 16.514 23.640 1.00 1.90 O ATOM 1953 ND2 ASN B 40 17.724 18.231 24.780 1.00 1.32 N ATOM 0 H ASN B 40 21.119 18.345 21.483 1.00 0.15 H new ATOM 0 HA ASN B 40 18.611 19.553 22.475 1.00 0.18 H new ATOM 0 HB2 ASN B 40 20.693 17.681 23.397 1.00 0.23 H new ATOM 0 HB3 ASN B 40 20.314 18.875 24.623 1.00 0.23 H new ATOM 0 HD21 ASN B 40 16.856 17.744 25.005 1.00 1.32 H new ATOM 0 HD22 ASN B 40 17.882 19.178 25.125 1.00 1.32 H new ATOM 1960 N ILE B 41 19.606 21.875 22.732 1.00 0.15 N ATOM 1961 CA ILE B 41 20.146 23.216 23.092 1.00 0.15 C ATOM 1962 C ILE B 41 20.647 23.202 24.538 1.00 0.15 C ATOM 1963 O ILE B 41 21.743 23.640 24.826 1.00 0.14 O ATOM 1964 CB ILE B 41 19.052 24.276 22.910 1.00 0.19 C ATOM 1965 CG1 ILE B 41 18.846 24.491 21.402 1.00 0.21 C ATOM 1966 CG2 ILE B 41 19.475 25.594 23.595 1.00 0.21 C ATOM 1967 CD1 ILE B 41 17.684 25.453 21.158 1.00 0.24 C ATOM 0 H ILE B 41 18.701 21.883 22.262 1.00 0.15 H new ATOM 0 HA ILE B 41 20.983 23.460 22.438 1.00 0.15 H new ATOM 0 HB ILE B 41 18.120 23.946 23.368 1.00 0.19 H new ATOM 0 HG12 ILE B 41 19.757 24.890 20.957 1.00 0.21 H new ATOM 0 HG13 ILE B 41 18.645 23.536 20.916 1.00 0.21 H new ATOM 0 HG21 ILE B 41 18.693 26.341 23.461 1.00 0.21 H new ATOM 0 HG22 ILE B 41 19.630 25.417 24.659 1.00 0.21 H new ATOM 0 HG23 ILE B 41 20.402 25.955 23.149 1.00 0.21 H new ATOM 0 HD11 ILE B 41 17.549 25.596 20.086 1.00 0.24 H new ATOM 0 HD12 ILE B 41 16.772 25.038 21.586 1.00 0.24 H new ATOM 0 HD13 ILE B 41 17.901 26.412 21.628 1.00 0.24 H new ATOM 1979 N GLU B 42 19.864 22.700 25.447 1.00 0.17 N ATOM 1980 CA GLU B 42 20.315 22.659 26.856 1.00 0.17 C ATOM 1981 C GLU B 42 21.654 21.933 26.919 1.00 0.16 C ATOM 1982 O GLU B 42 22.429 22.130 27.820 1.00 0.18 O ATOM 1983 CB GLU B 42 19.282 21.920 27.708 1.00 0.20 C ATOM 1984 CG GLU B 42 17.928 22.632 27.605 1.00 0.30 C ATOM 1985 CD GLU B 42 17.233 22.241 26.298 1.00 1.03 C ATOM 1986 OE1 GLU B 42 16.789 21.109 26.201 1.00 1.65 O ATOM 1987 OE2 GLU B 42 17.158 23.081 25.416 1.00 1.78 O ATOM 0 H GLU B 42 18.934 22.318 25.273 1.00 0.17 H new ATOM 0 HA GLU B 42 20.426 23.673 27.241 1.00 0.17 H new ATOM 0 HB2 GLU B 42 19.188 20.888 27.370 1.00 0.20 H new ATOM 0 HB3 GLU B 42 19.609 21.887 28.747 1.00 0.20 H new ATOM 0 HG2 GLU B 42 17.301 22.364 28.455 1.00 0.30 H new ATOM 0 HG3 GLU B 42 18.071 23.712 27.642 1.00 0.30 H new ATOM 1994 N GLU B 43 21.930 21.088 25.965 1.00 0.16 N ATOM 1995 CA GLU B 43 23.232 20.354 25.961 1.00 0.16 C ATOM 1996 C GLU B 43 24.276 21.148 25.166 1.00 0.14 C ATOM 1997 O GLU B 43 25.455 21.096 25.452 1.00 0.20 O ATOM 1998 CB GLU B 43 23.038 18.979 25.318 1.00 0.18 C ATOM 1999 CG GLU B 43 24.346 18.190 25.394 1.00 0.30 C ATOM 2000 CD GLU B 43 24.116 16.772 24.871 1.00 1.21 C ATOM 2001 OE1 GLU B 43 24.002 16.617 23.666 1.00 1.96 O ATOM 2002 OE2 GLU B 43 24.055 15.864 25.684 1.00 1.89 O ATOM 0 H GLU B 43 21.310 20.872 25.185 1.00 0.16 H new ATOM 0 HA GLU B 43 23.580 20.233 26.987 1.00 0.16 H new ATOM 0 HB2 GLU B 43 22.243 18.436 25.829 1.00 0.18 H new ATOM 0 HB3 GLU B 43 22.729 19.092 24.279 1.00 0.18 H new ATOM 0 HG2 GLU B 43 25.117 18.686 24.805 1.00 0.30 H new ATOM 0 HG3 GLU B 43 24.704 18.156 26.423 1.00 0.30 H new ATOM 2009 N ALA B 44 23.852 21.858 24.151 1.00 0.12 N ATOM 2010 CA ALA B 44 24.818 22.632 23.308 1.00 0.12 C ATOM 2011 C ALA B 44 25.160 23.981 23.957 1.00 0.12 C ATOM 2012 O ALA B 44 26.309 24.369 24.025 1.00 0.14 O ATOM 2013 CB ALA B 44 24.187 22.872 21.919 1.00 0.13 C ATOM 0 H ALA B 44 22.875 21.936 23.868 1.00 0.12 H new ATOM 0 HA ALA B 44 25.740 22.058 23.212 1.00 0.12 H new ATOM 0 HB1 ALA B 44 24.882 23.435 21.296 1.00 0.13 H new ATOM 0 HB2 ALA B 44 23.971 21.914 21.447 1.00 0.13 H new ATOM 0 HB3 ALA B 44 23.262 23.437 22.032 1.00 0.13 H new ATOM 2019 N SER B 45 24.177 24.708 24.403 1.00 0.12 N ATOM 2020 CA SER B 45 24.451 26.044 25.011 1.00 0.16 C ATOM 2021 C SER B 45 25.628 25.960 25.988 1.00 0.15 C ATOM 2022 O SER B 45 26.465 26.839 26.037 1.00 0.16 O ATOM 2023 CB SER B 45 23.199 26.532 25.747 1.00 0.19 C ATOM 2024 OG SER B 45 23.583 27.327 26.862 1.00 0.82 O ATOM 0 H SER B 45 23.194 24.438 24.374 1.00 0.12 H new ATOM 0 HA SER B 45 24.710 26.747 24.219 1.00 0.16 H new ATOM 0 HB2 SER B 45 22.571 27.113 25.072 1.00 0.19 H new ATOM 0 HB3 SER B 45 22.606 25.681 26.081 1.00 0.19 H new ATOM 0 HG SER B 45 22.782 27.640 27.332 1.00 0.82 H new ATOM 2030 N ARG B 46 25.704 24.919 26.768 1.00 0.17 N ATOM 2031 CA ARG B 46 26.832 24.803 27.737 1.00 0.20 C ATOM 2032 C ARG B 46 28.149 24.630 26.975 1.00 0.17 C ATOM 2033 O ARG B 46 29.183 25.109 27.394 1.00 0.23 O ATOM 2034 CB ARG B 46 26.595 23.591 28.652 1.00 0.24 C ATOM 2035 CG ARG B 46 25.553 23.928 29.745 1.00 0.84 C ATOM 2036 CD ARG B 46 24.123 23.689 29.220 1.00 1.21 C ATOM 2037 NE ARG B 46 23.489 22.522 29.920 1.00 1.63 N ATOM 2038 CZ ARG B 46 24.094 21.367 30.117 1.00 2.08 C ATOM 2039 NH1 ARG B 46 25.328 21.166 29.759 1.00 2.50 N ATOM 2040 NH2 ARG B 46 23.441 20.402 30.705 1.00 2.80 N ATOM 0 H ARG B 46 25.038 24.146 26.778 1.00 0.17 H new ATOM 0 HA ARG B 46 26.887 25.707 28.343 1.00 0.20 H new ATOM 0 HB2 ARG B 46 26.248 22.744 28.060 1.00 0.24 H new ATOM 0 HB3 ARG B 46 27.534 23.291 29.117 1.00 0.24 H new ATOM 0 HG2 ARG B 46 25.730 23.313 30.627 1.00 0.84 H new ATOM 0 HG3 ARG B 46 25.664 24.967 30.054 1.00 0.84 H new ATOM 0 HD2 ARG B 46 23.519 24.583 29.374 1.00 1.21 H new ATOM 0 HD3 ARG B 46 24.151 23.504 28.146 1.00 1.21 H new ATOM 0 HE ARG B 46 22.534 22.629 30.263 1.00 1.63 H new ATOM 0 HH11 ARG B 46 25.857 21.914 29.311 1.00 2.50 H new ATOM 0 HH12 ARG B 46 25.766 20.260 29.926 1.00 2.50 H new ATOM 0 HH21 ARG B 46 22.477 20.547 31.005 1.00 2.80 H new ATOM 0 HH22 ARG B 46 23.895 19.503 30.865 1.00 2.80 H new ATOM 2054 N ARG B 47 28.123 23.958 25.858 1.00 0.13 N ATOM 2055 CA ARG B 47 29.382 23.775 25.080 1.00 0.12 C ATOM 2056 C ARG B 47 29.904 25.143 24.650 1.00 0.11 C ATOM 2057 O ARG B 47 31.030 25.508 24.925 1.00 0.12 O ATOM 2058 CB ARG B 47 29.106 22.930 23.836 1.00 0.15 C ATOM 2059 CG ARG B 47 28.559 21.566 24.254 1.00 0.32 C ATOM 2060 CD ARG B 47 28.480 20.649 23.032 1.00 0.54 C ATOM 2061 NE ARG B 47 28.191 19.261 23.482 1.00 0.95 N ATOM 2062 CZ ARG B 47 27.818 18.356 22.622 1.00 1.20 C ATOM 2063 NH1 ARG B 47 27.703 18.664 21.359 1.00 1.81 N ATOM 2064 NH2 ARG B 47 27.562 17.142 23.025 1.00 1.62 N ATOM 0 H ARG B 47 27.291 23.530 25.452 1.00 0.13 H new ATOM 0 HA ARG B 47 30.121 23.270 25.701 1.00 0.12 H new ATOM 0 HB2 ARG B 47 28.390 23.438 23.190 1.00 0.15 H new ATOM 0 HB3 ARG B 47 30.022 22.804 23.259 1.00 0.15 H new ATOM 0 HG2 ARG B 47 29.202 21.122 25.014 1.00 0.32 H new ATOM 0 HG3 ARG B 47 27.571 21.680 24.700 1.00 0.32 H new ATOM 0 HD2 ARG B 47 27.700 20.994 22.353 1.00 0.54 H new ATOM 0 HD3 ARG B 47 29.419 20.677 22.480 1.00 0.54 H new ATOM 0 HE ARG B 47 28.285 19.017 24.468 1.00 0.95 H new ATOM 0 HH11 ARG B 47 27.905 19.613 21.045 1.00 1.81 H new ATOM 0 HH12 ARG B 47 27.411 17.955 20.686 1.00 1.81 H new ATOM 0 HH21 ARG B 47 27.654 16.902 24.012 1.00 1.62 H new ATOM 0 HH22 ARG B 47 27.270 16.432 22.353 1.00 1.62 H new ATOM 2078 N ILE B 48 29.087 25.902 23.980 1.00 0.10 N ATOM 2079 CA ILE B 48 29.520 27.253 23.529 1.00 0.09 C ATOM 2080 C ILE B 48 30.026 28.037 24.736 1.00 0.10 C ATOM 2081 O ILE B 48 31.144 28.512 24.757 1.00 0.10 O ATOM 2082 CB ILE B 48 28.338 27.978 22.890 1.00 0.10 C ATOM 2083 CG1 ILE B 48 27.728 27.069 21.812 1.00 0.10 C ATOM 2084 CG2 ILE B 48 28.844 29.275 22.261 1.00 0.10 C ATOM 2085 CD1 ILE B 48 26.498 27.727 21.182 1.00 0.10 C ATOM 0 H ILE B 48 28.134 25.645 23.724 1.00 0.10 H new ATOM 0 HA ILE B 48 30.319 27.165 22.793 1.00 0.09 H new ATOM 0 HB ILE B 48 27.578 28.211 23.636 1.00 0.10 H new ATOM 0 HG12 ILE B 48 28.470 26.862 21.041 1.00 0.10 H new ATOM 0 HG13 ILE B 48 27.449 26.111 22.252 1.00 0.10 H new ATOM 0 HG21 ILE B 48 28.011 29.805 21.800 1.00 0.10 H new ATOM 0 HG22 ILE B 48 29.291 29.903 23.032 1.00 0.10 H new ATOM 0 HG23 ILE B 48 29.591 29.044 21.502 1.00 0.10 H new ATOM 0 HD11 ILE B 48 26.082 27.067 20.421 1.00 0.10 H new ATOM 0 HD12 ILE B 48 25.749 27.911 21.952 1.00 0.10 H new ATOM 0 HD13 ILE B 48 26.786 28.673 20.723 1.00 0.10 H new ATOM 2097 N GLU B 49 29.217 28.161 25.749 1.00 0.10 N ATOM 2098 CA GLU B 49 29.655 28.898 26.970 1.00 0.11 C ATOM 2099 C GLU B 49 31.037 28.397 27.379 1.00 0.11 C ATOM 2100 O GLU B 49 32.001 29.137 27.397 1.00 0.12 O ATOM 2101 CB GLU B 49 28.683 28.605 28.104 1.00 0.13 C ATOM 2102 CG GLU B 49 27.370 29.358 27.876 1.00 0.14 C ATOM 2103 CD GLU B 49 26.481 29.224 29.114 1.00 0.16 C ATOM 2104 OE1 GLU B 49 25.746 28.253 29.188 1.00 1.10 O ATOM 2105 OE2 GLU B 49 26.549 30.095 29.965 1.00 1.07 O ATOM 0 H GLU B 49 28.270 27.784 25.786 1.00 0.10 H new ATOM 0 HA GLU B 49 29.683 29.968 26.765 1.00 0.11 H new ATOM 0 HB2 GLU B 49 28.492 27.533 28.162 1.00 0.13 H new ATOM 0 HB3 GLU B 49 29.122 28.903 29.056 1.00 0.13 H new ATOM 0 HG2 GLU B 49 27.572 30.410 27.673 1.00 0.14 H new ATOM 0 HG3 GLU B 49 26.856 28.958 27.002 1.00 0.14 H new ATOM 2112 N GLU B 50 31.141 27.130 27.683 1.00 0.12 N ATOM 2113 CA GLU B 50 32.463 26.561 28.062 1.00 0.12 C ATOM 2114 C GLU B 50 33.462 26.980 26.997 1.00 0.11 C ATOM 2115 O GLU B 50 34.649 26.998 27.210 1.00 0.11 O ATOM 2116 CB GLU B 50 32.376 25.034 28.120 1.00 0.14 C ATOM 2117 CG GLU B 50 33.672 24.470 28.704 1.00 0.17 C ATOM 2118 CD GLU B 50 33.630 22.941 28.655 1.00 1.14 C ATOM 2119 OE1 GLU B 50 33.330 22.410 27.599 1.00 1.97 O ATOM 2120 OE2 GLU B 50 33.899 22.328 29.675 1.00 1.78 O ATOM 0 H GLU B 50 30.366 26.466 27.685 1.00 0.12 H new ATOM 0 HA GLU B 50 32.770 26.924 29.043 1.00 0.12 H new ATOM 0 HB2 GLU B 50 31.527 24.731 28.732 1.00 0.14 H new ATOM 0 HB3 GLU B 50 32.209 24.631 27.121 1.00 0.14 H new ATOM 0 HG2 GLU B 50 34.529 24.839 28.140 1.00 0.17 H new ATOM 0 HG3 GLU B 50 33.798 24.808 29.733 1.00 0.17 H new ATOM 2127 N GLY B 51 32.965 27.339 25.849 1.00 0.10 N ATOM 2128 CA GLY B 51 33.868 27.791 24.748 1.00 0.09 C ATOM 2129 C GLY B 51 34.169 29.276 24.954 1.00 0.09 C ATOM 2130 O GLY B 51 35.309 29.683 25.064 1.00 0.10 O ATOM 0 H GLY B 51 31.971 27.340 25.621 1.00 0.10 H new ATOM 0 HA2 GLY B 51 34.792 27.212 24.752 1.00 0.09 H new ATOM 0 HA3 GLY B 51 33.396 27.630 23.779 1.00 0.09 H new ATOM 2134 N GLN B 52 33.145 30.086 25.030 1.00 0.10 N ATOM 2135 CA GLN B 52 33.350 31.547 25.257 1.00 0.11 C ATOM 2136 C GLN B 52 34.304 31.728 26.430 1.00 0.11 C ATOM 2137 O GLN B 52 35.255 32.481 26.368 1.00 0.13 O ATOM 2138 CB GLN B 52 32.005 32.197 25.591 1.00 0.13 C ATOM 2139 CG GLN B 52 31.016 31.916 24.459 1.00 0.19 C ATOM 2140 CD GLN B 52 31.430 32.703 23.219 1.00 0.54 C ATOM 2141 OE1 GLN B 52 32.312 33.537 23.279 1.00 1.37 O ATOM 2142 NE2 GLN B 52 30.825 32.473 22.089 1.00 0.74 N ATOM 0 H GLN B 52 32.171 29.796 24.944 1.00 0.10 H new ATOM 0 HA GLN B 52 33.766 32.012 24.363 1.00 0.11 H new ATOM 0 HB2 GLN B 52 31.621 31.803 26.532 1.00 0.13 H new ATOM 0 HB3 GLN B 52 32.130 33.272 25.723 1.00 0.13 H new ATOM 0 HG2 GLN B 52 30.995 30.849 24.236 1.00 0.19 H new ATOM 0 HG3 GLN B 52 30.008 32.198 24.763 1.00 0.19 H new ATOM 0 HE21 GLN B 52 30.085 31.773 22.040 1.00 0.74 H new ATOM 0 HE22 GLN B 52 31.091 32.993 21.253 1.00 0.74 H new ATOM 2151 N TYR B 53 34.054 31.030 27.497 1.00 0.11 N ATOM 2152 CA TYR B 53 34.945 31.144 28.683 1.00 0.13 C ATOM 2153 C TYR B 53 36.381 30.788 28.267 1.00 0.13 C ATOM 2154 O TYR B 53 37.324 31.453 28.649 1.00 0.16 O ATOM 2155 CB TYR B 53 34.446 30.198 29.797 1.00 0.14 C ATOM 2156 CG TYR B 53 35.552 29.931 30.800 1.00 0.17 C ATOM 2157 CD1 TYR B 53 36.554 29.014 30.484 1.00 0.17 C ATOM 2158 CD2 TYR B 53 35.581 30.602 32.028 1.00 0.22 C ATOM 2159 CE1 TYR B 53 37.589 28.759 31.382 1.00 0.22 C ATOM 2160 CE2 TYR B 53 36.618 30.348 32.936 1.00 0.26 C ATOM 2161 CZ TYR B 53 37.625 29.427 32.612 1.00 0.25 C ATOM 2162 OH TYR B 53 38.645 29.175 33.505 1.00 0.30 O ATOM 0 H TYR B 53 33.271 30.384 27.601 1.00 0.11 H new ATOM 0 HA TYR B 53 34.931 32.164 29.067 1.00 0.13 H new ATOM 0 HB2 TYR B 53 33.588 30.642 30.302 1.00 0.14 H new ATOM 0 HB3 TYR B 53 34.108 29.258 29.360 1.00 0.14 H new ATOM 0 HD1 TYR B 53 36.528 28.497 29.536 1.00 0.17 H new ATOM 0 HD2 TYR B 53 34.807 31.313 32.275 1.00 0.22 H new ATOM 0 HE1 TYR B 53 38.362 28.048 31.130 1.00 0.22 H new ATOM 0 HE2 TYR B 53 36.642 30.862 33.886 1.00 0.26 H new ATOM 0 HH TYR B 53 38.520 29.723 34.308 1.00 0.30 H new ATOM 2172 N VAL B 54 36.562 29.746 27.496 1.00 0.11 N ATOM 2173 CA VAL B 54 37.949 29.373 27.081 1.00 0.12 C ATOM 2174 C VAL B 54 38.574 30.535 26.310 1.00 0.12 C ATOM 2175 O VAL B 54 39.539 31.136 26.737 1.00 0.13 O ATOM 2176 CB VAL B 54 37.938 28.139 26.158 1.00 0.11 C ATOM 2177 CG1 VAL B 54 39.381 27.857 25.709 1.00 0.13 C ATOM 2178 CG2 VAL B 54 37.368 26.894 26.886 1.00 0.12 C ATOM 0 H VAL B 54 35.820 29.144 27.139 1.00 0.11 H new ATOM 0 HA VAL B 54 38.522 29.145 27.980 1.00 0.12 H new ATOM 0 HB VAL B 54 37.299 28.344 25.299 1.00 0.11 H new ATOM 0 HG11 VAL B 54 39.395 26.986 25.054 1.00 0.13 H new ATOM 0 HG12 VAL B 54 39.770 28.722 25.171 1.00 0.13 H new ATOM 0 HG13 VAL B 54 40.003 27.663 26.583 1.00 0.13 H new ATOM 0 HG21 VAL B 54 37.374 26.041 26.207 1.00 0.12 H new ATOM 0 HG22 VAL B 54 37.983 26.669 27.757 1.00 0.12 H new ATOM 0 HG23 VAL B 54 36.346 27.096 27.206 1.00 0.12 H new ATOM 2188 N VAL B 55 38.029 30.841 25.167 1.00 0.11 N ATOM 2189 CA VAL B 55 38.581 31.950 24.342 1.00 0.11 C ATOM 2190 C VAL B 55 38.671 33.220 25.188 1.00 0.14 C ATOM 2191 O VAL B 55 39.727 33.799 25.350 1.00 0.17 O ATOM 2192 CB VAL B 55 37.657 32.191 23.145 1.00 0.11 C ATOM 2193 CG1 VAL B 55 38.326 33.152 22.160 1.00 0.13 C ATOM 2194 CG2 VAL B 55 37.381 30.857 22.446 1.00 0.10 C ATOM 0 H VAL B 55 37.219 30.367 24.766 1.00 0.11 H new ATOM 0 HA VAL B 55 39.577 31.685 23.987 1.00 0.11 H new ATOM 0 HB VAL B 55 36.720 32.627 23.492 1.00 0.11 H new ATOM 0 HG11 VAL B 55 37.665 33.320 21.310 1.00 0.13 H new ATOM 0 HG12 VAL B 55 38.527 34.101 22.657 1.00 0.13 H new ATOM 0 HG13 VAL B 55 39.264 32.720 21.810 1.00 0.13 H new ATOM 0 HG21 VAL B 55 36.723 31.023 21.593 1.00 0.10 H new ATOM 0 HG22 VAL B 55 38.321 30.425 22.102 1.00 0.10 H new ATOM 0 HG23 VAL B 55 36.902 30.172 23.146 1.00 0.10 H new ATOM 2204 N ASN B 56 37.568 33.659 25.723 1.00 0.16 N ATOM 2205 CA ASN B 56 37.580 34.895 26.556 1.00 0.20 C ATOM 2206 C ASN B 56 38.662 34.789 27.635 1.00 0.22 C ATOM 2207 O ASN B 56 39.390 35.728 27.890 1.00 0.31 O ATOM 2208 CB ASN B 56 36.215 35.073 27.223 1.00 0.26 C ATOM 2209 CG ASN B 56 36.204 36.376 28.023 1.00 0.52 C ATOM 2210 OD1 ASN B 56 37.241 36.960 28.271 1.00 1.35 O ATOM 2211 ND2 ASN B 56 35.067 36.862 28.440 1.00 0.91 N ATOM 0 H ASN B 56 36.655 33.215 25.620 1.00 0.16 H new ATOM 0 HA ASN B 56 37.793 35.753 25.918 1.00 0.20 H new ATOM 0 HB2 ASN B 56 35.429 35.091 26.468 1.00 0.26 H new ATOM 0 HB3 ASN B 56 36.007 34.229 27.880 1.00 0.26 H new ATOM 0 HD21 ASN B 56 35.049 37.731 28.974 1.00 0.91 H new ATOM 0 HD22 ASN B 56 34.196 36.373 28.232 1.00 0.91 H new