USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 858 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 Single : A 8 GLN : amide:sc= -0.0227 K(o=-0.023,f=-2.1!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.00501 USER MOD Single : A 21 LYS NZ :NH3+ 157:sc= -0.0845 (180deg=-0.56) USER MOD Single : A 26 THR OG1 : rot -120:sc= 0.0513 USER MOD Single : A 28 THR OG1 : rot -160:sc= -0.0153 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0562 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 177:sc= 0 (180deg=-0.0201) USER MOD Single : A 38 SER OG : rot -86:sc= 1.06 USER MOD Single : A 41 GLN : amide:sc= -2.8! K(o=-2.8!,f=-0.36) USER MOD Single : A 42 ASN : amide:sc= -0.295 K(o=-0.3,f=-3.7!) USER MOD Single : A 44 THR OG1 : rot -89:sc= 0.0508 USER MOD Single : A 49 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.016) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -165:sc= -0.0182 (180deg=-0.042) USER MOD Single : A 72 MET CE :methyl -168:sc= -1.48 (180deg=-2.13) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -86:sc= 1.05 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl -175:sc= -2.62 (180deg=-2.88) USER MOD Single : A 110 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 111 ASN : amide:sc=-0.000547 X(o=-0.00055,f=0) USER MOD Single : A 115 LYS NZ :NH3+ -161:sc=-0.00263 (180deg=-0.23) USER MOD Single : A 117 THR OG1 : rot -69:sc= 0.699 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.0181 X(o=-0.018,f=0) USER MOD Single : A 137 ASN : amide:sc= -0.386! C(o=-0.39!,f=-1.2!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl 131:sc= -0.101 (180deg=-0.908) USER MOD Single : A 145 MET CE :methyl -148:sc= -1.2 (180deg=-5.23!) USER MOD Single : A 146 THR OG1 : rot -159:sc= -0.408 USER MOD ----------------------------------------------------------------- ATOM 105 N GLN A 8 13.712 2.137 -3.173 1.00 0.29 N ATOM 106 CA GLN A 8 12.397 2.479 -2.564 1.00 0.29 C ATOM 107 C GLN A 8 11.337 1.499 -3.070 1.00 0.31 C ATOM 108 O GLN A 8 10.449 1.103 -2.343 1.00 0.31 O ATOM 109 CB GLN A 8 12.009 3.912 -2.947 1.00 0.31 C ATOM 110 CG GLN A 8 12.992 4.897 -2.307 1.00 0.12 C ATOM 111 CD GLN A 8 12.902 6.250 -3.018 1.00 0.20 C ATOM 112 OE1 GLN A 8 12.196 6.390 -3.996 1.00 0.38 O ATOM 113 NE2 GLN A 8 13.596 7.258 -2.565 1.00 0.69 N ATOM 0 HA GLN A 8 12.466 2.408 -1.478 1.00 0.29 H new ATOM 0 HB2 GLN A 8 12.019 4.025 -4.031 1.00 0.31 H new ATOM 0 HB3 GLN A 8 10.994 4.127 -2.613 1.00 0.31 H new ATOM 0 HG2 GLN A 8 12.765 5.016 -1.248 1.00 0.12 H new ATOM 0 HG3 GLN A 8 14.008 4.507 -2.373 1.00 0.12 H new ATOM 0 HE21 GLN A 8 14.189 7.141 -1.743 1.00 0.69 H new ATOM 0 HE22 GLN A 8 13.545 8.163 -3.032 1.00 0.69 H new ATOM 122 N ILE A 9 11.427 1.095 -4.310 1.00 0.31 N ATOM 123 CA ILE A 9 10.428 0.129 -4.848 1.00 0.32 C ATOM 124 C ILE A 9 10.652 -1.236 -4.199 1.00 0.29 C ATOM 125 O ILE A 9 9.722 -1.980 -3.958 1.00 0.27 O ATOM 126 CB ILE A 9 10.599 0.008 -6.364 1.00 0.34 C ATOM 127 CG1 ILE A 9 10.277 1.355 -7.014 1.00 0.32 C ATOM 128 CG2 ILE A 9 9.648 -1.065 -6.904 1.00 0.38 C ATOM 129 CD1 ILE A 9 10.621 1.312 -8.505 1.00 0.36 C ATOM 0 H ILE A 9 12.146 1.391 -4.970 1.00 0.31 H new ATOM 0 HA ILE A 9 9.420 0.481 -4.626 1.00 0.32 H new ATOM 0 HB ILE A 9 11.626 -0.274 -6.596 1.00 0.34 H new ATOM 0 HG12 ILE A 9 9.220 1.588 -6.883 1.00 0.32 H new ATOM 0 HG13 ILE A 9 10.842 2.149 -6.525 1.00 0.32 H new ATOM 0 HG21 ILE A 9 9.771 -1.150 -7.984 1.00 0.38 H new ATOM 0 HG22 ILE A 9 9.877 -2.023 -6.436 1.00 0.38 H new ATOM 0 HG23 ILE A 9 8.619 -0.787 -6.677 1.00 0.38 H new ATOM 0 HD11 ILE A 9 10.389 2.275 -8.960 1.00 0.36 H new ATOM 0 HD12 ILE A 9 11.683 1.100 -8.627 1.00 0.36 H new ATOM 0 HD13 ILE A 9 10.037 0.531 -8.991 1.00 0.36 H new ATOM 141 N ALA A 10 11.881 -1.572 -3.916 1.00 0.29 N ATOM 142 CA ALA A 10 12.163 -2.888 -3.289 1.00 0.26 C ATOM 143 C ALA A 10 11.681 -2.876 -1.834 1.00 0.28 C ATOM 144 O ALA A 10 11.093 -3.826 -1.371 1.00 0.32 O ATOM 145 CB ALA A 10 13.672 -3.169 -3.345 1.00 0.26 C ATOM 0 H ALA A 10 12.700 -0.990 -4.093 1.00 0.29 H new ATOM 0 HA ALA A 10 11.635 -3.673 -3.830 1.00 0.26 H new ATOM 0 HB1 ALA A 10 13.880 -4.135 -2.885 1.00 0.26 H new ATOM 0 HB2 ALA A 10 14.001 -3.184 -4.384 1.00 0.26 H new ATOM 0 HB3 ALA A 10 14.208 -2.388 -2.806 1.00 0.26 H new ATOM 151 N GLU A 11 11.910 -1.814 -1.109 1.00 0.28 N ATOM 152 CA GLU A 11 11.441 -1.786 0.304 1.00 0.33 C ATOM 153 C GLU A 11 9.934 -2.052 0.318 1.00 0.32 C ATOM 154 O GLU A 11 9.452 -2.954 0.975 1.00 0.42 O ATOM 155 CB GLU A 11 11.819 -0.418 0.937 1.00 0.38 C ATOM 156 CG GLU A 11 10.630 0.539 1.070 1.00 1.93 C ATOM 157 CD GLU A 11 11.100 1.832 1.737 1.00 1.89 C ATOM 158 OE1 GLU A 11 11.336 1.807 2.934 1.00 1.35 O ATOM 159 OE2 GLU A 11 11.215 2.828 1.041 1.00 2.71 O ATOM 0 H GLU A 11 12.395 -0.976 -1.429 1.00 0.28 H new ATOM 0 HA GLU A 11 11.921 -2.560 0.903 1.00 0.33 H new ATOM 0 HB2 GLU A 11 12.251 -0.589 1.923 1.00 0.38 H new ATOM 0 HB3 GLU A 11 12.590 0.055 0.329 1.00 0.38 H new ATOM 0 HG2 GLU A 11 10.209 0.754 0.088 1.00 1.93 H new ATOM 0 HG3 GLU A 11 9.840 0.077 1.661 1.00 1.93 H new ATOM 166 N PHE A 12 9.190 -1.279 -0.416 1.00 0.32 N ATOM 167 CA PHE A 12 7.716 -1.495 -0.461 1.00 0.30 C ATOM 168 C PHE A 12 7.436 -2.934 -0.889 1.00 0.27 C ATOM 169 O PHE A 12 6.505 -3.556 -0.420 1.00 0.25 O ATOM 170 CB PHE A 12 7.062 -0.552 -1.482 1.00 0.27 C ATOM 171 CG PHE A 12 7.422 0.913 -1.253 1.00 0.38 C ATOM 172 CD1 PHE A 12 7.772 1.406 0.020 1.00 0.54 C ATOM 173 CD2 PHE A 12 7.377 1.796 -2.345 1.00 0.50 C ATOM 174 CE1 PHE A 12 8.074 2.763 0.186 1.00 0.63 C ATOM 175 CE2 PHE A 12 7.683 3.149 -2.171 1.00 0.58 C ATOM 176 CZ PHE A 12 8.028 3.632 -0.907 1.00 0.57 C ATOM 0 H PHE A 12 9.535 -0.507 -0.987 1.00 0.32 H new ATOM 0 HA PHE A 12 7.305 -1.297 0.529 1.00 0.30 H new ATOM 0 HB2 PHE A 12 7.369 -0.843 -2.487 1.00 0.27 H new ATOM 0 HB3 PHE A 12 5.979 -0.667 -1.433 1.00 0.27 H new ATOM 0 HD1 PHE A 12 7.807 0.737 0.867 1.00 0.54 H new ATOM 0 HD2 PHE A 12 7.105 1.428 -3.323 1.00 0.50 H new ATOM 0 HE1 PHE A 12 8.343 3.139 1.162 1.00 0.63 H new ATOM 0 HE2 PHE A 12 7.653 3.822 -3.015 1.00 0.58 H new ATOM 0 HZ PHE A 12 8.260 4.678 -0.774 1.00 0.57 H new ATOM 186 N LYS A 13 8.224 -3.472 -1.778 1.00 0.26 N ATOM 187 CA LYS A 13 7.972 -4.870 -2.224 1.00 0.24 C ATOM 188 C LYS A 13 8.077 -5.814 -1.026 1.00 0.27 C ATOM 189 O LYS A 13 7.182 -6.596 -0.770 1.00 0.36 O ATOM 190 CB LYS A 13 8.989 -5.276 -3.296 1.00 0.22 C ATOM 191 CG LYS A 13 8.719 -6.727 -3.753 1.00 0.22 C ATOM 192 CD LYS A 13 9.150 -6.917 -5.219 1.00 0.12 C ATOM 193 CE LYS A 13 8.014 -6.500 -6.162 1.00 0.05 C ATOM 194 NZ LYS A 13 8.482 -6.602 -7.573 1.00 0.76 N ATOM 0 H LYS A 13 9.023 -3.010 -2.211 1.00 0.26 H new ATOM 0 HA LYS A 13 6.971 -4.933 -2.650 1.00 0.24 H new ATOM 0 HB2 LYS A 13 8.923 -4.599 -4.148 1.00 0.22 H new ATOM 0 HB3 LYS A 13 10.001 -5.192 -2.900 1.00 0.22 H new ATOM 0 HG2 LYS A 13 9.263 -7.423 -3.114 1.00 0.22 H new ATOM 0 HG3 LYS A 13 7.659 -6.957 -3.646 1.00 0.22 H new ATOM 0 HD2 LYS A 13 10.040 -6.322 -5.424 1.00 0.12 H new ATOM 0 HD3 LYS A 13 9.415 -7.959 -5.396 1.00 0.12 H new ATOM 0 HE2 LYS A 13 7.145 -7.140 -6.008 1.00 0.05 H new ATOM 0 HE3 LYS A 13 7.701 -5.479 -5.944 1.00 0.05 H new ATOM 0 HZ1 LYS A 13 7.714 -6.320 -8.215 1.00 0.76 H new ATOM 0 HZ2 LYS A 13 9.299 -5.974 -7.714 1.00 0.76 H new ATOM 0 HZ3 LYS A 13 8.760 -7.583 -7.776 1.00 0.76 H new ATOM 208 N GLU A 14 9.147 -5.751 -0.278 1.00 0.23 N ATOM 209 CA GLU A 14 9.262 -6.656 0.901 1.00 0.27 C ATOM 210 C GLU A 14 8.098 -6.384 1.848 1.00 0.25 C ATOM 211 O GLU A 14 7.457 -7.291 2.342 1.00 0.26 O ATOM 212 CB GLU A 14 10.582 -6.408 1.646 1.00 0.29 C ATOM 213 CG GLU A 14 11.738 -6.298 0.647 1.00 0.29 C ATOM 214 CD GLU A 14 13.063 -6.612 1.349 1.00 0.43 C ATOM 215 OE1 GLU A 14 13.196 -7.711 1.860 1.00 1.03 O ATOM 216 OE2 GLU A 14 13.926 -5.747 1.363 1.00 1.44 O ATOM 0 H GLU A 14 9.935 -5.122 -0.429 1.00 0.23 H new ATOM 0 HA GLU A 14 9.241 -7.690 0.557 1.00 0.27 H new ATOM 0 HB2 GLU A 14 10.511 -5.493 2.233 1.00 0.29 H new ATOM 0 HB3 GLU A 14 10.772 -7.222 2.346 1.00 0.29 H new ATOM 0 HG2 GLU A 14 11.582 -6.989 -0.181 1.00 0.29 H new ATOM 0 HG3 GLU A 14 11.770 -5.294 0.223 1.00 0.29 H new ATOM 223 N ALA A 15 7.825 -5.138 2.103 1.00 0.22 N ATOM 224 CA ALA A 15 6.699 -4.796 3.020 1.00 0.22 C ATOM 225 C ALA A 15 5.385 -5.277 2.409 1.00 0.22 C ATOM 226 O ALA A 15 4.420 -5.533 3.102 1.00 0.28 O ATOM 227 CB ALA A 15 6.650 -3.281 3.229 1.00 0.19 C ATOM 0 H ALA A 15 8.330 -4.340 1.718 1.00 0.22 H new ATOM 0 HA ALA A 15 6.850 -5.285 3.983 1.00 0.22 H new ATOM 0 HB1 ALA A 15 5.827 -3.033 3.899 1.00 0.19 H new ATOM 0 HB2 ALA A 15 7.589 -2.944 3.667 1.00 0.19 H new ATOM 0 HB3 ALA A 15 6.499 -2.786 2.270 1.00 0.19 H new ATOM 233 N PHE A 16 5.340 -5.400 1.113 1.00 0.20 N ATOM 234 CA PHE A 16 4.092 -5.864 0.447 1.00 0.20 C ATOM 235 C PHE A 16 3.992 -7.387 0.552 1.00 0.21 C ATOM 236 O PHE A 16 2.997 -7.926 0.995 1.00 0.26 O ATOM 237 CB PHE A 16 4.130 -5.453 -1.024 1.00 0.20 C ATOM 238 CG PHE A 16 2.764 -5.630 -1.636 1.00 0.20 C ATOM 239 CD1 PHE A 16 1.826 -4.592 -1.563 1.00 0.20 C ATOM 240 CD2 PHE A 16 2.438 -6.826 -2.285 1.00 0.20 C ATOM 241 CE1 PHE A 16 0.563 -4.751 -2.140 1.00 0.19 C ATOM 242 CE2 PHE A 16 1.176 -6.985 -2.864 1.00 0.20 C ATOM 243 CZ PHE A 16 0.239 -5.946 -2.791 1.00 0.20 C ATOM 0 H PHE A 16 6.117 -5.198 0.484 1.00 0.20 H new ATOM 0 HA PHE A 16 3.226 -5.414 0.932 1.00 0.20 H new ATOM 0 HB2 PHE A 16 4.447 -4.414 -1.113 1.00 0.20 H new ATOM 0 HB3 PHE A 16 4.861 -6.057 -1.562 1.00 0.20 H new ATOM 0 HD1 PHE A 16 2.079 -3.670 -1.061 1.00 0.20 H new ATOM 0 HD2 PHE A 16 3.161 -7.626 -2.338 1.00 0.20 H new ATOM 0 HE1 PHE A 16 -0.162 -3.952 -2.083 1.00 0.19 H new ATOM 0 HE2 PHE A 16 0.924 -7.907 -3.367 1.00 0.20 H new ATOM 0 HZ PHE A 16 -0.736 -6.068 -3.239 1.00 0.20 H new ATOM 253 N SER A 17 5.013 -8.083 0.144 1.00 0.29 N ATOM 254 CA SER A 17 4.985 -9.572 0.214 1.00 0.27 C ATOM 255 C SER A 17 4.885 -10.017 1.672 1.00 0.16 C ATOM 256 O SER A 17 4.470 -11.122 1.967 1.00 0.10 O ATOM 257 CB SER A 17 6.267 -10.132 -0.407 1.00 0.34 C ATOM 258 OG SER A 17 6.560 -9.423 -1.605 1.00 1.53 O ATOM 0 H SER A 17 5.871 -7.685 -0.237 1.00 0.29 H new ATOM 0 HA SER A 17 4.120 -9.945 -0.335 1.00 0.27 H new ATOM 0 HB2 SER A 17 7.095 -10.039 0.295 1.00 0.34 H new ATOM 0 HB3 SER A 17 6.147 -11.194 -0.620 1.00 0.34 H new ATOM 0 HG SER A 17 7.382 -9.779 -2.003 1.00 1.53 H new ATOM 264 N LEU A 18 5.268 -9.173 2.592 1.00 0.21 N ATOM 265 CA LEU A 18 5.197 -9.557 4.028 1.00 0.15 C ATOM 266 C LEU A 18 3.752 -9.929 4.384 1.00 0.09 C ATOM 267 O LEU A 18 3.503 -10.577 5.381 1.00 0.14 O ATOM 268 CB LEU A 18 5.665 -8.368 4.897 1.00 0.23 C ATOM 269 CG LEU A 18 7.173 -8.485 5.219 1.00 0.22 C ATOM 270 CD1 LEU A 18 7.698 -7.152 5.816 1.00 0.46 C ATOM 271 CD2 LEU A 18 7.421 -9.657 6.205 1.00 0.25 C ATOM 0 H LEU A 18 5.626 -8.236 2.410 1.00 0.21 H new ATOM 0 HA LEU A 18 5.843 -10.415 4.214 1.00 0.15 H new ATOM 0 HB2 LEU A 18 5.471 -7.431 4.375 1.00 0.23 H new ATOM 0 HB3 LEU A 18 5.091 -8.341 5.824 1.00 0.23 H new ATOM 0 HG LEU A 18 7.715 -8.689 4.296 1.00 0.22 H new ATOM 0 HD11 LEU A 18 8.761 -7.247 6.039 1.00 0.46 H new ATOM 0 HD12 LEU A 18 7.548 -6.347 5.096 1.00 0.46 H new ATOM 0 HD13 LEU A 18 7.154 -6.925 6.733 1.00 0.46 H new ATOM 0 HD21 LEU A 18 8.486 -9.729 6.424 1.00 0.25 H new ATOM 0 HD22 LEU A 18 6.872 -9.477 7.129 1.00 0.25 H new ATOM 0 HD23 LEU A 18 7.079 -10.589 5.755 1.00 0.25 H new ATOM 283 N PHE A 19 2.800 -9.512 3.582 1.00 0.11 N ATOM 284 CA PHE A 19 1.360 -9.826 3.875 1.00 0.11 C ATOM 285 C PHE A 19 0.714 -10.516 2.673 1.00 0.17 C ATOM 286 O PHE A 19 -0.493 -10.555 2.545 1.00 0.25 O ATOM 287 CB PHE A 19 0.631 -8.523 4.191 1.00 0.13 C ATOM 288 CG PHE A 19 1.272 -7.908 5.408 1.00 0.13 C ATOM 289 CD1 PHE A 19 2.429 -7.133 5.269 1.00 0.14 C ATOM 290 CD2 PHE A 19 0.727 -8.133 6.677 1.00 0.13 C ATOM 291 CE1 PHE A 19 3.041 -6.579 6.400 1.00 0.15 C ATOM 292 CE2 PHE A 19 1.337 -7.576 7.808 1.00 0.12 C ATOM 293 CZ PHE A 19 2.495 -6.800 7.669 1.00 0.13 C ATOM 0 H PHE A 19 2.957 -8.966 2.735 1.00 0.11 H new ATOM 0 HA PHE A 19 1.296 -10.501 4.729 1.00 0.11 H new ATOM 0 HB2 PHE A 19 0.690 -7.839 3.344 1.00 0.13 H new ATOM 0 HB3 PHE A 19 -0.426 -8.714 4.374 1.00 0.13 H new ATOM 0 HD1 PHE A 19 2.850 -6.962 4.289 1.00 0.14 H new ATOM 0 HD2 PHE A 19 -0.163 -8.735 6.784 1.00 0.13 H new ATOM 0 HE1 PHE A 19 3.934 -5.981 6.293 1.00 0.15 H new ATOM 0 HE2 PHE A 19 0.915 -7.745 8.788 1.00 0.12 H new ATOM 0 HZ PHE A 19 2.966 -6.372 8.542 1.00 0.13 H new ATOM 303 N ASP A 20 1.510 -11.086 1.804 1.00 0.15 N ATOM 304 CA ASP A 20 0.951 -11.806 0.618 1.00 0.22 C ATOM 305 C ASP A 20 0.965 -13.308 0.923 1.00 0.21 C ATOM 306 O ASP A 20 1.741 -14.060 0.366 1.00 0.18 O ATOM 307 CB ASP A 20 1.823 -11.530 -0.612 1.00 0.24 C ATOM 308 CG ASP A 20 1.235 -12.254 -1.825 1.00 0.29 C ATOM 309 OD1 ASP A 20 0.044 -12.115 -2.053 1.00 1.29 O ATOM 310 OD2 ASP A 20 1.984 -12.931 -2.508 1.00 0.94 O ATOM 0 H ASP A 20 2.528 -11.084 1.865 1.00 0.15 H new ATOM 0 HA ASP A 20 -0.065 -11.466 0.416 1.00 0.22 H new ATOM 0 HB2 ASP A 20 1.872 -10.458 -0.803 1.00 0.24 H new ATOM 0 HB3 ASP A 20 2.843 -11.869 -0.432 1.00 0.24 H new ATOM 315 N LYS A 21 0.130 -13.742 1.831 1.00 0.26 N ATOM 316 CA LYS A 21 0.106 -15.187 2.214 1.00 0.31 C ATOM 317 C LYS A 21 -0.560 -16.028 1.128 1.00 0.39 C ATOM 318 O LYS A 21 -0.649 -17.235 1.231 1.00 0.46 O ATOM 319 CB LYS A 21 -0.674 -15.349 3.518 1.00 0.36 C ATOM 320 CG LYS A 21 -0.055 -14.473 4.622 1.00 0.25 C ATOM 321 CD LYS A 21 1.157 -15.179 5.239 1.00 0.31 C ATOM 322 CE LYS A 21 1.682 -14.353 6.414 1.00 0.34 C ATOM 323 NZ LYS A 21 0.662 -14.325 7.501 1.00 1.33 N ATOM 0 H LYS A 21 -0.541 -13.155 2.327 1.00 0.26 H new ATOM 0 HA LYS A 21 1.133 -15.529 2.340 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -1.716 -15.069 3.364 1.00 0.36 H new ATOM 0 HB3 LYS A 21 -0.667 -16.394 3.827 1.00 0.36 H new ATOM 0 HG2 LYS A 21 0.247 -13.511 4.207 1.00 0.25 H new ATOM 0 HG3 LYS A 21 -0.798 -14.268 5.393 1.00 0.25 H new ATOM 0 HD2 LYS A 21 0.877 -16.177 5.578 1.00 0.31 H new ATOM 0 HD3 LYS A 21 1.939 -15.304 4.490 1.00 0.31 H new ATOM 0 HE2 LYS A 21 2.613 -14.782 6.786 1.00 0.34 H new ATOM 0 HE3 LYS A 21 1.907 -13.338 6.086 1.00 0.34 H new ATOM 0 HZ1 LYS A 21 1.127 -14.123 8.409 1.00 1.33 H new ATOM 0 HZ2 LYS A 21 -0.040 -13.585 7.299 1.00 1.33 H new ATOM 0 HZ3 LYS A 21 0.186 -15.248 7.554 1.00 1.33 H new ATOM 337 N ASP A 22 -1.031 -15.400 0.097 1.00 0.40 N ATOM 338 CA ASP A 22 -1.704 -16.149 -1.011 1.00 0.48 C ATOM 339 C ASP A 22 -0.726 -16.345 -2.171 1.00 0.41 C ATOM 340 O ASP A 22 -1.080 -16.871 -3.209 1.00 0.44 O ATOM 341 CB ASP A 22 -2.913 -15.348 -1.500 1.00 0.58 C ATOM 342 CG ASP A 22 -4.004 -15.365 -0.427 1.00 0.83 C ATOM 343 OD1 ASP A 22 -3.930 -16.208 0.452 1.00 1.63 O ATOM 344 OD2 ASP A 22 -4.896 -14.536 -0.503 1.00 0.65 O ATOM 0 H ASP A 22 -0.983 -14.390 -0.035 1.00 0.40 H new ATOM 0 HA ASP A 22 -2.029 -17.123 -0.644 1.00 0.48 H new ATOM 0 HB2 ASP A 22 -2.618 -14.321 -1.718 1.00 0.58 H new ATOM 0 HB3 ASP A 22 -3.294 -15.774 -2.428 1.00 0.58 H new ATOM 349 N GLY A 23 0.503 -15.928 -2.011 1.00 0.30 N ATOM 350 CA GLY A 23 1.495 -16.096 -3.113 1.00 0.23 C ATOM 351 C GLY A 23 0.892 -15.578 -4.415 1.00 0.27 C ATOM 352 O GLY A 23 1.287 -15.969 -5.495 1.00 0.31 O ATOM 0 H GLY A 23 0.861 -15.480 -1.168 1.00 0.30 H new ATOM 0 HA2 GLY A 23 2.410 -15.552 -2.880 1.00 0.23 H new ATOM 0 HA3 GLY A 23 1.767 -17.147 -3.217 1.00 0.23 H new ATOM 356 N ASP A 24 -0.071 -14.701 -4.317 1.00 0.30 N ATOM 357 CA ASP A 24 -0.723 -14.146 -5.542 1.00 0.36 C ATOM 358 C ASP A 24 -0.141 -12.766 -5.851 1.00 0.31 C ATOM 359 O ASP A 24 -0.511 -12.130 -6.818 1.00 0.35 O ATOM 360 CB ASP A 24 -2.229 -14.015 -5.298 1.00 0.42 C ATOM 361 CG ASP A 24 -2.924 -13.618 -6.602 1.00 0.47 C ATOM 362 OD1 ASP A 24 -2.634 -14.231 -7.617 1.00 0.92 O ATOM 363 OD2 ASP A 24 -3.734 -12.708 -6.564 1.00 1.38 O ATOM 0 H ASP A 24 -0.437 -14.342 -3.435 1.00 0.30 H new ATOM 0 HA ASP A 24 -0.542 -14.814 -6.384 1.00 0.36 H new ATOM 0 HB2 ASP A 24 -2.632 -14.959 -4.931 1.00 0.42 H new ATOM 0 HB3 ASP A 24 -2.420 -13.266 -4.529 1.00 0.42 H new ATOM 368 N GLY A 25 0.770 -12.297 -5.043 1.00 0.23 N ATOM 369 CA GLY A 25 1.371 -10.957 -5.302 1.00 0.21 C ATOM 370 C GLY A 25 0.342 -9.867 -4.975 1.00 0.20 C ATOM 371 O GLY A 25 0.397 -8.777 -5.508 1.00 0.19 O ATOM 0 H GLY A 25 1.123 -12.781 -4.218 1.00 0.23 H new ATOM 0 HA2 GLY A 25 2.265 -10.823 -4.693 1.00 0.21 H new ATOM 0 HA3 GLY A 25 1.680 -10.880 -6.344 1.00 0.21 H new ATOM 375 N THR A 26 -0.603 -10.150 -4.103 1.00 0.19 N ATOM 376 CA THR A 26 -1.637 -9.130 -3.740 1.00 0.19 C ATOM 377 C THR A 26 -1.891 -9.173 -2.232 1.00 0.17 C ATOM 378 O THR A 26 -1.476 -10.085 -1.546 1.00 0.14 O ATOM 379 CB THR A 26 -2.948 -9.437 -4.471 1.00 0.21 C ATOM 380 OG1 THR A 26 -3.454 -10.688 -4.027 1.00 0.21 O ATOM 381 CG2 THR A 26 -2.704 -9.489 -5.978 1.00 0.22 C ATOM 0 H THR A 26 -0.700 -11.047 -3.628 1.00 0.19 H new ATOM 0 HA THR A 26 -1.278 -8.142 -4.029 1.00 0.19 H new ATOM 0 HB THR A 26 -3.673 -8.652 -4.255 1.00 0.21 H new ATOM 0 HG1 THR A 26 -3.525 -11.301 -4.788 1.00 0.21 H new ATOM 0 HG21 THR A 26 -3.641 -9.708 -6.491 1.00 0.22 H new ATOM 0 HG22 THR A 26 -2.320 -8.527 -6.318 1.00 0.22 H new ATOM 0 HG23 THR A 26 -1.977 -10.269 -6.202 1.00 0.22 H new ATOM 389 N ILE A 27 -2.585 -8.191 -1.714 1.00 0.18 N ATOM 390 CA ILE A 27 -2.894 -8.162 -0.252 1.00 0.16 C ATOM 391 C ILE A 27 -4.325 -7.666 -0.068 1.00 0.18 C ATOM 392 O ILE A 27 -4.945 -7.190 -0.999 1.00 0.28 O ATOM 393 CB ILE A 27 -1.928 -7.214 0.470 1.00 0.15 C ATOM 394 CG1 ILE A 27 -2.045 -5.798 -0.115 1.00 0.18 C ATOM 395 CG2 ILE A 27 -0.492 -7.719 0.301 1.00 0.13 C ATOM 396 CD1 ILE A 27 -1.122 -4.846 0.648 1.00 0.18 C ATOM 0 H ILE A 27 -2.953 -7.402 -2.246 1.00 0.18 H new ATOM 0 HA ILE A 27 -2.784 -9.162 0.167 1.00 0.16 H new ATOM 0 HB ILE A 27 -2.183 -7.185 1.529 1.00 0.15 H new ATOM 0 HG12 ILE A 27 -1.779 -5.808 -1.172 1.00 0.18 H new ATOM 0 HG13 ILE A 27 -3.076 -5.451 -0.049 1.00 0.18 H new ATOM 0 HG21 ILE A 27 0.194 -7.045 0.814 1.00 0.13 H new ATOM 0 HG22 ILE A 27 -0.405 -8.718 0.727 1.00 0.13 H new ATOM 0 HG23 ILE A 27 -0.241 -7.754 -0.759 1.00 0.13 H new ATOM 0 HD11 ILE A 27 -1.208 -3.843 0.230 1.00 0.18 H new ATOM 0 HD12 ILE A 27 -1.408 -4.827 1.700 1.00 0.18 H new ATOM 0 HD13 ILE A 27 -0.091 -5.189 0.559 1.00 0.18 H new ATOM 408 N THR A 28 -4.861 -7.765 1.117 1.00 0.10 N ATOM 409 CA THR A 28 -6.253 -7.289 1.345 1.00 0.12 C ATOM 410 C THR A 28 -6.234 -5.853 1.857 1.00 0.11 C ATOM 411 O THR A 28 -5.219 -5.353 2.300 1.00 0.12 O ATOM 412 CB THR A 28 -6.932 -8.162 2.394 1.00 0.12 C ATOM 413 OG1 THR A 28 -6.618 -7.672 3.691 1.00 0.10 O ATOM 414 CG2 THR A 28 -6.439 -9.600 2.259 1.00 0.12 C ATOM 0 H THR A 28 -4.395 -8.155 1.936 1.00 0.10 H new ATOM 0 HA THR A 28 -6.797 -7.342 0.402 1.00 0.12 H new ATOM 0 HB THR A 28 -8.012 -8.135 2.246 1.00 0.12 H new ATOM 0 HG1 THR A 28 -6.770 -8.378 4.353 1.00 0.10 H new ATOM 0 HG21 THR A 28 -6.925 -10.223 3.010 1.00 0.12 H new ATOM 0 HG22 THR A 28 -6.680 -9.975 1.264 1.00 0.12 H new ATOM 0 HG23 THR A 28 -5.359 -9.630 2.407 1.00 0.12 H new ATOM 422 N THR A 29 -7.355 -5.196 1.822 1.00 0.11 N ATOM 423 CA THR A 29 -7.416 -3.803 2.329 1.00 0.10 C ATOM 424 C THR A 29 -7.234 -3.823 3.851 1.00 0.09 C ATOM 425 O THR A 29 -6.736 -2.885 4.441 1.00 0.09 O ATOM 426 CB THR A 29 -8.785 -3.208 1.980 1.00 0.10 C ATOM 427 OG1 THR A 29 -9.784 -4.200 2.157 1.00 0.11 O ATOM 428 CG2 THR A 29 -8.792 -2.734 0.525 1.00 0.05 C ATOM 0 H THR A 29 -8.235 -5.566 1.462 1.00 0.11 H new ATOM 0 HA THR A 29 -6.630 -3.199 1.875 1.00 0.10 H new ATOM 0 HB THR A 29 -8.986 -2.359 2.633 1.00 0.10 H new ATOM 0 HG1 THR A 29 -10.662 -3.824 1.937 1.00 0.11 H new ATOM 0 HG21 THR A 29 -9.768 -2.312 0.284 1.00 0.05 H new ATOM 0 HG22 THR A 29 -8.024 -1.973 0.387 1.00 0.05 H new ATOM 0 HG23 THR A 29 -8.589 -3.578 -0.134 1.00 0.05 H new ATOM 436 N LYS A 30 -7.641 -4.887 4.490 1.00 0.09 N ATOM 437 CA LYS A 30 -7.502 -4.975 5.970 1.00 0.09 C ATOM 438 C LYS A 30 -6.027 -4.897 6.363 1.00 0.06 C ATOM 439 O LYS A 30 -5.692 -4.481 7.455 1.00 0.05 O ATOM 440 CB LYS A 30 -8.080 -6.307 6.461 1.00 0.11 C ATOM 441 CG LYS A 30 -9.585 -6.381 6.155 1.00 0.20 C ATOM 442 CD LYS A 30 -10.386 -5.635 7.233 1.00 1.56 C ATOM 443 CE LYS A 30 -11.878 -5.917 7.039 1.00 1.50 C ATOM 444 NZ LYS A 30 -12.673 -5.000 7.904 1.00 2.78 N ATOM 0 H LYS A 30 -8.066 -5.702 4.047 1.00 0.09 H new ATOM 0 HA LYS A 30 -8.043 -4.145 6.425 1.00 0.09 H new ATOM 0 HB2 LYS A 30 -7.563 -7.136 5.978 1.00 0.11 H new ATOM 0 HB3 LYS A 30 -7.915 -6.410 7.533 1.00 0.11 H new ATOM 0 HG2 LYS A 30 -9.786 -5.945 5.176 1.00 0.20 H new ATOM 0 HG3 LYS A 30 -9.903 -7.423 6.111 1.00 0.20 H new ATOM 0 HD2 LYS A 30 -10.069 -5.956 8.225 1.00 1.56 H new ATOM 0 HD3 LYS A 30 -10.195 -4.564 7.168 1.00 1.56 H new ATOM 0 HE2 LYS A 30 -12.153 -5.777 5.993 1.00 1.50 H new ATOM 0 HE3 LYS A 30 -12.099 -6.954 7.291 1.00 1.50 H new ATOM 0 HZ1 LYS A 30 -13.687 -5.191 7.773 1.00 2.78 H new ATOM 0 HZ2 LYS A 30 -12.418 -5.154 8.900 1.00 2.78 H new ATOM 0 HZ3 LYS A 30 -12.470 -4.014 7.643 1.00 2.78 H new ATOM 458 N GLU A 31 -5.145 -5.305 5.491 1.00 0.04 N ATOM 459 CA GLU A 31 -3.681 -5.270 5.824 1.00 0.04 C ATOM 460 C GLU A 31 -3.022 -4.039 5.197 1.00 0.06 C ATOM 461 O GLU A 31 -1.812 -3.934 5.155 1.00 0.05 O ATOM 462 CB GLU A 31 -3.004 -6.531 5.279 1.00 0.03 C ATOM 463 CG GLU A 31 -3.756 -7.779 5.749 1.00 0.02 C ATOM 464 CD GLU A 31 -3.201 -9.008 5.027 1.00 0.07 C ATOM 465 OE1 GLU A 31 -3.073 -8.952 3.817 1.00 0.20 O ATOM 466 OE2 GLU A 31 -2.913 -9.984 5.699 1.00 0.06 O ATOM 0 H GLU A 31 -5.369 -5.662 4.562 1.00 0.04 H new ATOM 0 HA GLU A 31 -3.569 -5.223 6.907 1.00 0.04 H new ATOM 0 HB2 GLU A 31 -2.982 -6.499 4.190 1.00 0.03 H new ATOM 0 HB3 GLU A 31 -1.969 -6.572 5.617 1.00 0.03 H new ATOM 0 HG2 GLU A 31 -3.648 -7.897 6.827 1.00 0.02 H new ATOM 0 HG3 GLU A 31 -4.821 -7.674 5.545 1.00 0.02 H new ATOM 473 N LEU A 32 -3.793 -3.106 4.713 1.00 0.11 N ATOM 474 CA LEU A 32 -3.179 -1.893 4.101 1.00 0.14 C ATOM 475 C LEU A 32 -2.540 -1.038 5.199 1.00 0.16 C ATOM 476 O LEU A 32 -1.398 -0.633 5.094 1.00 0.17 O ATOM 477 CB LEU A 32 -4.259 -1.082 3.370 1.00 0.15 C ATOM 478 CG LEU A 32 -3.681 0.256 2.878 1.00 0.19 C ATOM 479 CD1 LEU A 32 -2.410 0.015 2.053 1.00 0.20 C ATOM 480 CD2 LEU A 32 -4.730 0.964 2.011 1.00 0.20 C ATOM 0 H LEU A 32 -4.813 -3.129 4.714 1.00 0.11 H new ATOM 0 HA LEU A 32 -2.413 -2.193 3.386 1.00 0.14 H new ATOM 0 HB2 LEU A 32 -4.642 -1.653 2.524 1.00 0.15 H new ATOM 0 HB3 LEU A 32 -5.100 -0.899 4.038 1.00 0.15 H new ATOM 0 HG LEU A 32 -3.427 0.877 3.737 1.00 0.19 H new ATOM 0 HD11 LEU A 32 -2.012 0.970 1.711 1.00 0.20 H new ATOM 0 HD12 LEU A 32 -1.666 -0.489 2.670 1.00 0.20 H new ATOM 0 HD13 LEU A 32 -2.648 -0.608 1.191 1.00 0.20 H new ATOM 0 HD21 LEU A 32 -4.329 1.914 1.658 1.00 0.20 H new ATOM 0 HD22 LEU A 32 -4.980 0.335 1.156 1.00 0.20 H new ATOM 0 HD23 LEU A 32 -5.627 1.147 2.602 1.00 0.20 H new ATOM 492 N GLY A 33 -3.261 -0.756 6.250 1.00 0.16 N ATOM 493 CA GLY A 33 -2.685 0.074 7.342 1.00 0.18 C ATOM 494 C GLY A 33 -1.498 -0.658 7.971 1.00 0.13 C ATOM 495 O GLY A 33 -0.580 -0.042 8.475 1.00 0.11 O ATOM 0 H GLY A 33 -4.222 -1.064 6.398 1.00 0.16 H new ATOM 0 HA2 GLY A 33 -2.364 1.038 6.949 1.00 0.18 H new ATOM 0 HA3 GLY A 33 -3.444 0.275 8.098 1.00 0.18 H new ATOM 499 N THR A 34 -1.503 -1.963 7.950 1.00 0.13 N ATOM 500 CA THR A 34 -0.366 -2.712 8.553 1.00 0.11 C ATOM 501 C THR A 34 0.874 -2.566 7.670 1.00 0.09 C ATOM 502 O THR A 34 1.970 -2.361 8.152 1.00 0.12 O ATOM 503 CB THR A 34 -0.733 -4.192 8.691 1.00 0.15 C ATOM 504 OG1 THR A 34 -2.036 -4.305 9.247 1.00 0.30 O ATOM 505 CG2 THR A 34 0.275 -4.886 9.609 1.00 0.18 C ATOM 0 H THR A 34 -2.240 -2.539 7.544 1.00 0.13 H new ATOM 0 HA THR A 34 -0.153 -2.304 9.541 1.00 0.11 H new ATOM 0 HB THR A 34 -0.713 -4.664 7.709 1.00 0.15 H new ATOM 0 HG1 THR A 34 -2.273 -5.252 9.334 1.00 0.30 H new ATOM 0 HG21 THR A 34 0.013 -5.940 9.707 1.00 0.18 H new ATOM 0 HG22 THR A 34 1.275 -4.799 9.184 1.00 0.18 H new ATOM 0 HG23 THR A 34 0.257 -4.415 10.592 1.00 0.18 H new ATOM 513 N VAL A 35 0.713 -2.655 6.379 1.00 0.11 N ATOM 514 CA VAL A 35 1.888 -2.504 5.477 1.00 0.14 C ATOM 515 C VAL A 35 2.421 -1.078 5.603 1.00 0.15 C ATOM 516 O VAL A 35 3.597 -0.854 5.814 1.00 0.17 O ATOM 517 CB VAL A 35 1.463 -2.767 4.030 1.00 0.19 C ATOM 518 CG1 VAL A 35 2.621 -2.442 3.083 1.00 0.28 C ATOM 519 CG2 VAL A 35 1.080 -4.238 3.873 1.00 0.10 C ATOM 0 H VAL A 35 -0.177 -2.825 5.911 1.00 0.11 H new ATOM 0 HA VAL A 35 2.664 -3.218 5.755 1.00 0.14 H new ATOM 0 HB VAL A 35 0.608 -2.136 3.786 1.00 0.19 H new ATOM 0 HG11 VAL A 35 2.314 -2.631 2.054 1.00 0.28 H new ATOM 0 HG12 VAL A 35 2.897 -1.393 3.193 1.00 0.28 H new ATOM 0 HG13 VAL A 35 3.478 -3.070 3.327 1.00 0.28 H new ATOM 0 HG21 VAL A 35 0.777 -4.427 2.843 1.00 0.10 H new ATOM 0 HG22 VAL A 35 1.936 -4.865 4.120 1.00 0.10 H new ATOM 0 HG23 VAL A 35 0.253 -4.472 4.543 1.00 0.10 H new ATOM 529 N MET A 36 1.553 -0.114 5.481 1.00 0.17 N ATOM 530 CA MET A 36 1.994 1.298 5.602 1.00 0.20 C ATOM 531 C MET A 36 2.712 1.480 6.941 1.00 0.18 C ATOM 532 O MET A 36 3.655 2.239 7.054 1.00 0.24 O ATOM 533 CB MET A 36 0.768 2.225 5.554 1.00 0.20 C ATOM 534 CG MET A 36 0.235 2.353 4.120 1.00 0.30 C ATOM 535 SD MET A 36 -0.742 3.874 3.990 1.00 1.54 S ATOM 536 CE MET A 36 0.008 4.525 2.478 1.00 0.42 C ATOM 0 H MET A 36 0.557 -0.245 5.303 1.00 0.17 H new ATOM 0 HA MET A 36 2.667 1.545 4.781 1.00 0.20 H new ATOM 0 HB2 MET A 36 -0.015 1.834 6.204 1.00 0.20 H new ATOM 0 HB3 MET A 36 1.036 3.210 5.936 1.00 0.20 H new ATOM 0 HG2 MET A 36 1.063 2.375 3.411 1.00 0.30 H new ATOM 0 HG3 MET A 36 -0.379 1.488 3.867 1.00 0.30 H new ATOM 0 HE1 MET A 36 -0.496 5.448 2.190 1.00 0.42 H new ATOM 0 HE2 MET A 36 1.064 4.728 2.654 1.00 0.42 H new ATOM 0 HE3 MET A 36 -0.092 3.792 1.677 1.00 0.42 H new ATOM 546 N ARG A 37 2.272 0.790 7.961 1.00 0.12 N ATOM 547 CA ARG A 37 2.930 0.926 9.292 1.00 0.16 C ATOM 548 C ARG A 37 4.323 0.296 9.247 1.00 0.19 C ATOM 549 O ARG A 37 5.245 0.764 9.885 1.00 0.30 O ATOM 550 CB ARG A 37 2.073 0.233 10.361 1.00 0.15 C ATOM 551 CG ARG A 37 0.934 1.165 10.792 1.00 0.20 C ATOM 552 CD ARG A 37 -0.035 0.412 11.703 1.00 0.74 C ATOM 553 NE ARG A 37 0.723 -0.246 12.805 1.00 0.65 N ATOM 554 CZ ARG A 37 0.095 -0.664 13.869 1.00 0.83 C ATOM 555 NH1 ARG A 37 -1.198 -0.504 13.972 1.00 1.24 N ATOM 556 NH2 ARG A 37 0.758 -1.241 14.833 1.00 1.13 N ATOM 0 H ARG A 37 1.487 0.140 7.929 1.00 0.12 H new ATOM 0 HA ARG A 37 3.028 1.982 9.542 1.00 0.16 H new ATOM 0 HB2 ARG A 37 1.665 -0.698 9.967 1.00 0.15 H new ATOM 0 HB3 ARG A 37 2.688 -0.028 11.222 1.00 0.15 H new ATOM 0 HG2 ARG A 37 1.339 2.032 11.314 1.00 0.20 H new ATOM 0 HG3 ARG A 37 0.406 1.539 9.915 1.00 0.20 H new ATOM 0 HD2 ARG A 37 -0.772 1.101 12.116 1.00 0.74 H new ATOM 0 HD3 ARG A 37 -0.584 -0.335 11.129 1.00 0.74 H new ATOM 0 HE ARG A 37 1.733 -0.369 12.727 1.00 0.65 H new ATOM 0 HH11 ARG A 37 -1.717 -0.052 13.220 1.00 1.24 H new ATOM 0 HH12 ARG A 37 -1.688 -0.831 14.805 1.00 1.24 H new ATOM 0 HH21 ARG A 37 1.767 -1.365 14.755 1.00 1.13 H new ATOM 0 HH22 ARG A 37 0.267 -1.568 15.665 1.00 1.13 H new ATOM 570 N SER A 38 4.488 -0.758 8.501 1.00 0.12 N ATOM 571 CA SER A 38 5.827 -1.403 8.423 1.00 0.17 C ATOM 572 C SER A 38 6.847 -0.383 7.915 1.00 0.19 C ATOM 573 O SER A 38 8.009 -0.423 8.272 1.00 0.24 O ATOM 574 CB SER A 38 5.767 -2.588 7.461 1.00 0.19 C ATOM 575 OG SER A 38 5.907 -2.116 6.126 1.00 0.17 O ATOM 0 H SER A 38 3.757 -1.200 7.944 1.00 0.12 H new ATOM 0 HA SER A 38 6.123 -1.756 9.411 1.00 0.17 H new ATOM 0 HB2 SER A 38 6.559 -3.300 7.692 1.00 0.19 H new ATOM 0 HB3 SER A 38 4.820 -3.116 7.575 1.00 0.19 H new ATOM 0 HG SER A 38 5.030 -1.848 5.780 1.00 0.17 H new ATOM 581 N LEU A 39 6.426 0.528 7.081 1.00 0.16 N ATOM 582 CA LEU A 39 7.375 1.547 6.548 1.00 0.19 C ATOM 583 C LEU A 39 7.576 2.662 7.579 1.00 0.19 C ATOM 584 O LEU A 39 8.339 3.583 7.368 1.00 0.23 O ATOM 585 CB LEU A 39 6.819 2.134 5.250 1.00 0.16 C ATOM 586 CG LEU A 39 6.362 0.997 4.330 1.00 0.24 C ATOM 587 CD1 LEU A 39 5.826 1.586 3.022 1.00 0.21 C ATOM 588 CD2 LEU A 39 7.544 0.066 4.026 1.00 0.33 C ATOM 0 H LEU A 39 5.466 0.611 6.746 1.00 0.16 H new ATOM 0 HA LEU A 39 8.336 1.073 6.347 1.00 0.19 H new ATOM 0 HB2 LEU A 39 5.983 2.798 5.468 1.00 0.16 H new ATOM 0 HB3 LEU A 39 7.582 2.734 4.753 1.00 0.16 H new ATOM 0 HG LEU A 39 5.575 0.427 4.825 1.00 0.24 H new ATOM 0 HD11 LEU A 39 5.500 0.779 2.366 1.00 0.21 H new ATOM 0 HD12 LEU A 39 4.982 2.242 3.237 1.00 0.21 H new ATOM 0 HD13 LEU A 39 6.613 2.157 2.531 1.00 0.21 H new ATOM 0 HD21 LEU A 39 7.213 -0.740 3.372 1.00 0.33 H new ATOM 0 HD22 LEU A 39 8.335 0.631 3.534 1.00 0.33 H new ATOM 0 HD23 LEU A 39 7.924 -0.355 4.957 1.00 0.33 H new ATOM 600 N GLY A 40 6.911 2.579 8.703 1.00 0.17 N ATOM 601 CA GLY A 40 7.082 3.627 9.758 1.00 0.23 C ATOM 602 C GLY A 40 6.057 4.755 9.584 1.00 0.21 C ATOM 603 O GLY A 40 6.214 5.827 10.138 1.00 0.28 O ATOM 0 H GLY A 40 6.257 1.832 8.937 1.00 0.17 H new ATOM 0 HA2 GLY A 40 6.969 3.177 10.744 1.00 0.23 H new ATOM 0 HA3 GLY A 40 8.091 4.037 9.708 1.00 0.23 H new ATOM 607 N GLN A 41 5.005 4.533 8.833 1.00 0.15 N ATOM 608 CA GLN A 41 3.970 5.602 8.642 1.00 0.22 C ATOM 609 C GLN A 41 2.780 5.321 9.562 1.00 0.31 C ATOM 610 O GLN A 41 2.526 4.191 9.920 1.00 0.44 O ATOM 611 CB GLN A 41 3.493 5.593 7.187 1.00 0.21 C ATOM 612 CG GLN A 41 4.616 6.087 6.270 1.00 0.21 C ATOM 613 CD GLN A 41 4.729 7.612 6.364 1.00 1.26 C ATOM 614 OE1 GLN A 41 5.489 8.221 5.637 1.00 1.75 O ATOM 615 NE2 GLN A 41 4.002 8.259 7.233 1.00 2.32 N ATOM 0 H GLN A 41 4.817 3.658 8.343 1.00 0.15 H new ATOM 0 HA GLN A 41 4.400 6.574 8.881 1.00 0.22 H new ATOM 0 HB2 GLN A 41 3.193 4.585 6.899 1.00 0.21 H new ATOM 0 HB3 GLN A 41 2.615 6.230 7.078 1.00 0.21 H new ATOM 0 HG2 GLN A 41 5.561 5.625 6.555 1.00 0.21 H new ATOM 0 HG3 GLN A 41 4.414 5.791 5.241 1.00 0.21 H new ATOM 0 HE21 GLN A 41 3.364 7.750 7.844 1.00 2.32 H new ATOM 0 HE22 GLN A 41 4.072 9.274 7.301 1.00 2.32 H new ATOM 624 N ASN A 42 2.051 6.335 9.963 1.00 0.24 N ATOM 625 CA ASN A 42 0.882 6.103 10.875 1.00 0.32 C ATOM 626 C ASN A 42 -0.312 6.978 10.461 1.00 0.28 C ATOM 627 O ASN A 42 -0.625 7.938 11.135 1.00 0.27 O ATOM 628 CB ASN A 42 1.295 6.461 12.307 1.00 0.37 C ATOM 629 CG ASN A 42 0.266 5.906 13.293 1.00 0.49 C ATOM 630 OD1 ASN A 42 -0.875 5.690 12.941 1.00 0.33 O ATOM 631 ND2 ASN A 42 0.629 5.662 14.524 1.00 1.44 N ATOM 0 H ASN A 42 2.212 7.308 9.701 1.00 0.24 H new ATOM 0 HA ASN A 42 0.585 5.056 10.812 1.00 0.32 H new ATOM 0 HB2 ASN A 42 2.281 6.050 12.525 1.00 0.37 H new ATOM 0 HB3 ASN A 42 1.370 7.543 12.415 1.00 0.37 H new ATOM 0 HD21 ASN A 42 -0.047 5.289 15.191 1.00 1.44 H new ATOM 0 HD22 ASN A 42 1.588 5.844 14.818 1.00 1.44 H new ATOM 638 N PRO A 43 -0.961 6.616 9.371 1.00 0.29 N ATOM 639 CA PRO A 43 -2.137 7.364 8.883 1.00 0.29 C ATOM 640 C PRO A 43 -3.350 7.027 9.766 1.00 0.33 C ATOM 641 O PRO A 43 -3.491 5.915 10.232 1.00 0.30 O ATOM 642 CB PRO A 43 -2.352 6.850 7.439 1.00 0.29 C ATOM 643 CG PRO A 43 -1.442 5.598 7.256 1.00 0.31 C ATOM 644 CD PRO A 43 -0.582 5.457 8.534 1.00 0.31 C ATOM 0 HA PRO A 43 -2.003 8.445 8.912 1.00 0.29 H new ATOM 0 HB2 PRO A 43 -3.398 6.593 7.274 1.00 0.29 H new ATOM 0 HB3 PRO A 43 -2.095 7.622 6.713 1.00 0.29 H new ATOM 0 HG2 PRO A 43 -2.046 4.704 7.100 1.00 0.31 H new ATOM 0 HG3 PRO A 43 -0.807 5.711 6.377 1.00 0.31 H new ATOM 0 HD2 PRO A 43 -0.784 4.516 9.046 1.00 0.31 H new ATOM 0 HD3 PRO A 43 0.482 5.470 8.299 1.00 0.31 H new ATOM 652 N THR A 44 -4.233 7.963 9.992 1.00 0.40 N ATOM 653 CA THR A 44 -5.423 7.648 10.833 1.00 0.44 C ATOM 654 C THR A 44 -6.338 6.701 10.055 1.00 0.38 C ATOM 655 O THR A 44 -6.073 6.365 8.918 1.00 0.39 O ATOM 656 CB THR A 44 -6.187 8.931 11.174 1.00 0.53 C ATOM 657 OG1 THR A 44 -6.477 9.638 9.980 1.00 0.53 O ATOM 658 CG2 THR A 44 -5.338 9.806 12.096 1.00 0.64 C ATOM 0 H THR A 44 -4.184 8.918 9.637 1.00 0.40 H new ATOM 0 HA THR A 44 -5.097 7.179 11.761 1.00 0.44 H new ATOM 0 HB THR A 44 -7.118 8.675 11.680 1.00 0.53 H new ATOM 0 HG1 THR A 44 -5.738 10.247 9.773 1.00 0.53 H new ATOM 0 HG21 THR A 44 -5.884 10.718 12.337 1.00 0.64 H new ATOM 0 HG22 THR A 44 -5.119 9.261 13.014 1.00 0.64 H new ATOM 0 HG23 THR A 44 -4.405 10.064 11.595 1.00 0.64 H new ATOM 666 N GLU A 45 -7.410 6.267 10.655 1.00 0.32 N ATOM 667 CA GLU A 45 -8.335 5.339 9.946 1.00 0.25 C ATOM 668 C GLU A 45 -9.017 6.067 8.787 1.00 0.23 C ATOM 669 O GLU A 45 -9.166 5.524 7.710 1.00 0.19 O ATOM 670 CB GLU A 45 -9.392 4.833 10.933 1.00 0.28 C ATOM 671 CG GLU A 45 -8.787 3.751 11.835 1.00 0.38 C ATOM 672 CD GLU A 45 -8.709 2.429 11.070 1.00 1.66 C ATOM 673 OE1 GLU A 45 -9.715 2.035 10.503 1.00 2.12 O ATOM 674 OE2 GLU A 45 -7.646 1.831 11.065 1.00 2.53 O ATOM 0 H GLU A 45 -7.686 6.514 11.605 1.00 0.32 H new ATOM 0 HA GLU A 45 -7.770 4.496 9.549 1.00 0.25 H new ATOM 0 HB2 GLU A 45 -9.761 5.660 11.540 1.00 0.28 H new ATOM 0 HB3 GLU A 45 -10.246 4.430 10.389 1.00 0.28 H new ATOM 0 HG2 GLU A 45 -7.792 4.052 12.163 1.00 0.38 H new ATOM 0 HG3 GLU A 45 -9.395 3.629 12.731 1.00 0.38 H new ATOM 681 N ALA A 46 -9.434 7.285 8.990 1.00 0.29 N ATOM 682 CA ALA A 46 -10.106 8.019 7.886 1.00 0.29 C ATOM 683 C ALA A 46 -9.101 8.251 6.758 1.00 0.33 C ATOM 684 O ALA A 46 -9.438 8.172 5.593 1.00 0.34 O ATOM 685 CB ALA A 46 -10.637 9.359 8.403 1.00 0.37 C ATOM 0 H ALA A 46 -9.339 7.800 9.866 1.00 0.29 H new ATOM 0 HA ALA A 46 -10.945 7.433 7.510 1.00 0.29 H new ATOM 0 HB1 ALA A 46 -11.129 9.894 7.590 1.00 0.37 H new ATOM 0 HB2 ALA A 46 -11.353 9.181 9.206 1.00 0.37 H new ATOM 0 HB3 ALA A 46 -9.808 9.957 8.781 1.00 0.37 H new ATOM 691 N GLU A 47 -7.867 8.520 7.085 1.00 0.38 N ATOM 692 CA GLU A 47 -6.859 8.730 6.012 1.00 0.43 C ATOM 693 C GLU A 47 -6.786 7.455 5.180 1.00 0.36 C ATOM 694 O GLU A 47 -6.644 7.492 3.975 1.00 0.43 O ATOM 695 CB GLU A 47 -5.487 9.012 6.624 1.00 0.48 C ATOM 696 CG GLU A 47 -5.461 10.429 7.201 1.00 0.69 C ATOM 697 CD GLU A 47 -4.160 10.637 7.980 1.00 0.98 C ATOM 698 OE1 GLU A 47 -3.111 10.347 7.431 1.00 1.47 O ATOM 699 OE2 GLU A 47 -4.237 11.084 9.113 1.00 1.22 O ATOM 0 H GLU A 47 -7.517 8.603 8.039 1.00 0.38 H new ATOM 0 HA GLU A 47 -7.146 9.581 5.394 1.00 0.43 H new ATOM 0 HB2 GLU A 47 -5.272 8.286 7.408 1.00 0.48 H new ATOM 0 HB3 GLU A 47 -4.711 8.903 5.866 1.00 0.48 H new ATOM 0 HG2 GLU A 47 -5.538 11.162 6.398 1.00 0.69 H new ATOM 0 HG3 GLU A 47 -6.319 10.583 7.856 1.00 0.69 H new ATOM 706 N LEU A 48 -6.886 6.321 5.819 1.00 0.24 N ATOM 707 CA LEU A 48 -6.829 5.039 5.068 1.00 0.20 C ATOM 708 C LEU A 48 -8.126 4.846 4.278 1.00 0.27 C ATOM 709 O LEU A 48 -8.104 4.559 3.098 1.00 0.44 O ATOM 710 CB LEU A 48 -6.665 3.872 6.051 1.00 0.10 C ATOM 711 CG LEU A 48 -5.246 3.853 6.642 1.00 0.13 C ATOM 712 CD1 LEU A 48 -5.173 2.766 7.723 1.00 0.27 C ATOM 713 CD2 LEU A 48 -4.205 3.555 5.540 1.00 0.49 C ATOM 0 H LEU A 48 -7.005 6.229 6.828 1.00 0.24 H new ATOM 0 HA LEU A 48 -5.982 5.065 4.383 1.00 0.20 H new ATOM 0 HB2 LEU A 48 -7.397 3.961 6.854 1.00 0.10 H new ATOM 0 HB3 LEU A 48 -6.864 2.930 5.541 1.00 0.10 H new ATOM 0 HG LEU A 48 -5.025 4.829 7.074 1.00 0.13 H new ATOM 0 HD11 LEU A 48 -4.170 2.744 8.149 1.00 0.27 H new ATOM 0 HD12 LEU A 48 -5.896 2.985 8.508 1.00 0.27 H new ATOM 0 HD13 LEU A 48 -5.401 1.796 7.280 1.00 0.27 H new ATOM 0 HD21 LEU A 48 -3.206 3.545 5.976 1.00 0.49 H new ATOM 0 HD22 LEU A 48 -4.416 2.583 5.094 1.00 0.49 H new ATOM 0 HD23 LEU A 48 -4.258 4.326 4.771 1.00 0.49 H new ATOM 725 N GLN A 49 -9.255 4.981 4.919 1.00 0.17 N ATOM 726 CA GLN A 49 -10.551 4.776 4.204 1.00 0.23 C ATOM 727 C GLN A 49 -10.652 5.701 2.985 1.00 0.30 C ATOM 728 O GLN A 49 -11.354 5.407 2.037 1.00 0.36 O ATOM 729 CB GLN A 49 -11.706 5.068 5.174 1.00 0.24 C ATOM 730 CG GLN A 49 -11.998 3.831 6.046 1.00 0.24 C ATOM 731 CD GLN A 49 -12.950 2.886 5.307 1.00 1.01 C ATOM 732 OE1 GLN A 49 -12.660 1.720 5.142 1.00 1.55 O ATOM 733 NE2 GLN A 49 -14.085 3.348 4.855 1.00 1.93 N ATOM 0 H GLN A 49 -9.338 5.224 5.906 1.00 0.17 H new ATOM 0 HA GLN A 49 -10.606 3.745 3.855 1.00 0.23 H new ATOM 0 HB2 GLN A 49 -11.451 5.917 5.809 1.00 0.24 H new ATOM 0 HB3 GLN A 49 -12.599 5.346 4.614 1.00 0.24 H new ATOM 0 HG2 GLN A 49 -11.068 3.313 6.282 1.00 0.24 H new ATOM 0 HG3 GLN A 49 -12.440 4.139 6.993 1.00 0.24 H new ATOM 0 HE21 GLN A 49 -14.328 4.329 4.994 1.00 1.93 H new ATOM 0 HE22 GLN A 49 -14.728 2.728 4.363 1.00 1.93 H new ATOM 742 N ASP A 50 -9.975 6.809 2.996 1.00 0.30 N ATOM 743 CA ASP A 50 -10.061 7.731 1.829 1.00 0.36 C ATOM 744 C ASP A 50 -9.237 7.161 0.676 1.00 0.47 C ATOM 745 O ASP A 50 -9.688 7.094 -0.448 1.00 0.53 O ATOM 746 CB ASP A 50 -9.523 9.114 2.218 1.00 0.33 C ATOM 747 CG ASP A 50 -10.584 9.870 3.022 1.00 0.99 C ATOM 748 OD1 ASP A 50 -11.441 10.482 2.405 1.00 1.11 O ATOM 749 OD2 ASP A 50 -10.523 9.823 4.240 1.00 2.11 O ATOM 0 H ASP A 50 -9.368 7.118 3.756 1.00 0.30 H new ATOM 0 HA ASP A 50 -11.101 7.830 1.519 1.00 0.36 H new ATOM 0 HB2 ASP A 50 -8.612 9.008 2.807 1.00 0.33 H new ATOM 0 HB3 ASP A 50 -9.260 9.678 1.323 1.00 0.33 H new ATOM 890 N GLY A 61 -11.980 -5.353 -3.064 1.00 0.08 N ATOM 891 CA GLY A 61 -11.510 -5.274 -1.646 1.00 0.22 C ATOM 892 C GLY A 61 -10.079 -5.810 -1.519 1.00 0.22 C ATOM 893 O GLY A 61 -9.697 -6.343 -0.498 1.00 0.23 O ATOM 0 HA2 GLY A 61 -11.548 -4.240 -1.302 1.00 0.22 H new ATOM 0 HA3 GLY A 61 -12.177 -5.849 -1.004 1.00 0.22 H new ATOM 897 N THR A 62 -9.286 -5.674 -2.550 1.00 0.20 N ATOM 898 CA THR A 62 -7.875 -6.169 -2.502 1.00 0.19 C ATOM 899 C THR A 62 -6.964 -5.155 -3.199 1.00 0.20 C ATOM 900 O THR A 62 -7.428 -4.241 -3.851 1.00 0.21 O ATOM 901 CB THR A 62 -7.785 -7.508 -3.235 1.00 0.20 C ATOM 902 OG1 THR A 62 -8.464 -7.413 -4.478 1.00 0.36 O ATOM 903 CG2 THR A 62 -8.434 -8.596 -2.382 1.00 0.29 C ATOM 0 H THR A 62 -9.557 -5.238 -3.431 1.00 0.20 H new ATOM 0 HA THR A 62 -7.565 -6.295 -1.465 1.00 0.19 H new ATOM 0 HB THR A 62 -6.739 -7.758 -3.411 1.00 0.20 H new ATOM 0 HG1 THR A 62 -8.405 -8.270 -4.949 1.00 0.36 H new ATOM 0 HG21 THR A 62 -8.371 -9.552 -2.902 1.00 0.29 H new ATOM 0 HG22 THR A 62 -7.914 -8.668 -1.427 1.00 0.29 H new ATOM 0 HG23 THR A 62 -9.480 -8.346 -2.208 1.00 0.29 H new ATOM 911 N ILE A 63 -5.668 -5.302 -3.067 1.00 0.19 N ATOM 912 CA ILE A 63 -4.721 -4.345 -3.718 1.00 0.19 C ATOM 913 C ILE A 63 -3.527 -5.128 -4.277 1.00 0.20 C ATOM 914 O ILE A 63 -3.014 -6.018 -3.633 1.00 0.23 O ATOM 915 CB ILE A 63 -4.221 -3.328 -2.673 1.00 0.17 C ATOM 916 CG1 ILE A 63 -5.382 -2.942 -1.739 1.00 0.14 C ATOM 917 CG2 ILE A 63 -3.664 -2.073 -3.374 1.00 0.18 C ATOM 918 CD1 ILE A 63 -4.903 -1.949 -0.677 1.00 0.24 C ATOM 0 H ILE A 63 -5.224 -6.049 -2.533 1.00 0.19 H new ATOM 0 HA ILE A 63 -5.228 -3.816 -4.525 1.00 0.19 H new ATOM 0 HB ILE A 63 -3.421 -3.780 -2.087 1.00 0.17 H new ATOM 0 HG12 ILE A 63 -6.193 -2.501 -2.319 1.00 0.14 H new ATOM 0 HG13 ILE A 63 -5.782 -3.834 -1.258 1.00 0.14 H new ATOM 0 HG21 ILE A 63 -3.314 -1.363 -2.625 1.00 0.18 H new ATOM 0 HG22 ILE A 63 -2.834 -2.356 -4.021 1.00 0.18 H new ATOM 0 HG23 ILE A 63 -4.450 -1.612 -3.972 1.00 0.18 H new ATOM 0 HD11 ILE A 63 -5.735 -1.685 -0.024 1.00 0.24 H new ATOM 0 HD12 ILE A 63 -4.108 -2.404 -0.086 1.00 0.24 H new ATOM 0 HD13 ILE A 63 -4.525 -1.050 -1.164 1.00 0.24 H new ATOM 930 N ASP A 64 -3.077 -4.789 -5.458 1.00 0.18 N ATOM 931 CA ASP A 64 -1.900 -5.494 -6.061 1.00 0.19 C ATOM 932 C ASP A 64 -0.666 -4.578 -5.925 1.00 0.19 C ATOM 933 O ASP A 64 -0.791 -3.414 -5.601 1.00 0.19 O ATOM 934 CB ASP A 64 -2.198 -5.822 -7.532 1.00 0.20 C ATOM 935 CG ASP A 64 -2.346 -4.534 -8.349 1.00 0.20 C ATOM 936 OD1 ASP A 64 -2.048 -3.478 -7.822 1.00 0.18 O ATOM 937 OD2 ASP A 64 -2.757 -4.631 -9.494 1.00 0.22 O ATOM 0 H ASP A 64 -3.476 -4.049 -6.036 1.00 0.18 H new ATOM 0 HA ASP A 64 -1.702 -6.434 -5.545 1.00 0.19 H new ATOM 0 HB2 ASP A 64 -1.394 -6.431 -7.945 1.00 0.20 H new ATOM 0 HB3 ASP A 64 -3.113 -6.411 -7.601 1.00 0.20 H new ATOM 942 N PHE A 65 0.523 -5.094 -6.120 1.00 0.18 N ATOM 943 CA PHE A 65 1.744 -4.238 -5.944 1.00 0.18 C ATOM 944 C PHE A 65 1.801 -3.044 -6.929 1.00 0.20 C ATOM 945 O PHE A 65 2.120 -1.954 -6.494 1.00 0.20 O ATOM 946 CB PHE A 65 3.025 -5.093 -6.031 1.00 0.18 C ATOM 947 CG PHE A 65 4.221 -4.282 -5.565 1.00 0.18 C ATOM 948 CD1 PHE A 65 4.294 -3.824 -4.241 1.00 0.70 C ATOM 949 CD2 PHE A 65 5.262 -3.994 -6.461 1.00 0.51 C ATOM 950 CE1 PHE A 65 5.401 -3.080 -3.817 1.00 0.72 C ATOM 951 CE2 PHE A 65 6.369 -3.250 -6.033 1.00 0.49 C ATOM 952 CZ PHE A 65 6.439 -2.794 -4.713 1.00 0.20 C ATOM 0 H PHE A 65 0.703 -6.061 -6.391 1.00 0.18 H new ATOM 0 HA PHE A 65 1.677 -3.803 -4.947 1.00 0.18 H new ATOM 0 HB2 PHE A 65 2.919 -5.986 -5.416 1.00 0.18 H new ATOM 0 HB3 PHE A 65 3.180 -5.429 -7.056 1.00 0.18 H new ATOM 0 HD1 PHE A 65 3.495 -4.046 -3.548 1.00 0.70 H new ATOM 0 HD2 PHE A 65 5.210 -4.346 -7.481 1.00 0.51 H new ATOM 0 HE1 PHE A 65 5.455 -2.726 -2.798 1.00 0.72 H new ATOM 0 HE2 PHE A 65 7.169 -3.028 -6.723 1.00 0.49 H new ATOM 0 HZ PHE A 65 7.294 -2.221 -4.384 1.00 0.20 H new ATOM 962 N PRO A 66 1.503 -3.217 -8.207 1.00 0.22 N ATOM 963 CA PRO A 66 1.556 -2.070 -9.131 1.00 0.24 C ATOM 964 C PRO A 66 0.675 -0.935 -8.588 1.00 0.27 C ATOM 965 O PRO A 66 1.105 0.196 -8.476 1.00 0.29 O ATOM 966 CB PRO A 66 1.035 -2.608 -10.483 1.00 0.27 C ATOM 967 CG PRO A 66 0.783 -4.134 -10.307 1.00 0.26 C ATOM 968 CD PRO A 66 1.096 -4.495 -8.835 1.00 0.23 C ATOM 0 HA PRO A 66 2.559 -1.659 -9.243 1.00 0.24 H new ATOM 0 HB2 PRO A 66 0.116 -2.097 -10.772 1.00 0.27 H new ATOM 0 HB3 PRO A 66 1.762 -2.427 -11.275 1.00 0.27 H new ATOM 0 HG2 PRO A 66 -0.250 -4.382 -10.550 1.00 0.26 H new ATOM 0 HG3 PRO A 66 1.416 -4.707 -10.984 1.00 0.26 H new ATOM 0 HD2 PRO A 66 0.223 -4.919 -8.338 1.00 0.23 H new ATOM 0 HD3 PRO A 66 1.891 -5.238 -8.771 1.00 0.23 H new ATOM 976 N GLU A 67 -0.550 -1.230 -8.245 1.00 0.28 N ATOM 977 CA GLU A 67 -1.441 -0.168 -7.707 1.00 0.31 C ATOM 978 C GLU A 67 -0.896 0.315 -6.362 1.00 0.32 C ATOM 979 O GLU A 67 -1.020 1.474 -6.017 1.00 0.34 O ATOM 980 CB GLU A 67 -2.860 -0.714 -7.527 1.00 0.35 C ATOM 981 CG GLU A 67 -3.392 -1.210 -8.874 1.00 0.43 C ATOM 982 CD GLU A 67 -4.625 -2.085 -8.648 1.00 0.47 C ATOM 983 OE1 GLU A 67 -4.578 -2.923 -7.762 1.00 0.35 O ATOM 984 OE2 GLU A 67 -5.595 -1.903 -9.364 1.00 0.61 O ATOM 0 H GLU A 67 -0.969 -2.157 -8.314 1.00 0.28 H new ATOM 0 HA GLU A 67 -1.473 0.666 -8.408 1.00 0.31 H new ATOM 0 HB2 GLU A 67 -2.858 -1.528 -6.803 1.00 0.35 H new ATOM 0 HB3 GLU A 67 -3.513 0.064 -7.131 1.00 0.35 H new ATOM 0 HG2 GLU A 67 -3.647 -0.362 -9.510 1.00 0.43 H new ATOM 0 HG3 GLU A 67 -2.621 -1.778 -9.394 1.00 0.43 H new ATOM 991 N PHE A 68 -0.281 -0.551 -5.603 1.00 0.31 N ATOM 992 CA PHE A 68 0.273 -0.111 -4.292 1.00 0.33 C ATOM 993 C PHE A 68 1.328 0.961 -4.564 1.00 0.33 C ATOM 994 O PHE A 68 1.471 1.908 -3.817 1.00 0.36 O ATOM 995 CB PHE A 68 0.907 -1.294 -3.546 1.00 0.31 C ATOM 996 CG PHE A 68 1.338 -0.846 -2.167 1.00 0.30 C ATOM 997 CD1 PHE A 68 0.411 -0.822 -1.115 1.00 0.28 C ATOM 998 CD2 PHE A 68 2.662 -0.448 -1.940 1.00 0.31 C ATOM 999 CE1 PHE A 68 0.808 -0.400 0.162 1.00 0.28 C ATOM 1000 CE2 PHE A 68 3.057 -0.027 -0.664 1.00 0.30 C ATOM 1001 CZ PHE A 68 2.131 -0.003 0.385 1.00 0.29 C ATOM 0 H PHE A 68 -0.139 -1.535 -5.831 1.00 0.31 H new ATOM 0 HA PHE A 68 -0.526 0.287 -3.667 1.00 0.33 H new ATOM 0 HB2 PHE A 68 0.193 -2.113 -3.467 1.00 0.31 H new ATOM 0 HB3 PHE A 68 1.765 -1.671 -4.102 1.00 0.31 H new ATOM 0 HD1 PHE A 68 -0.610 -1.129 -1.289 1.00 0.28 H new ATOM 0 HD2 PHE A 68 3.378 -0.466 -2.749 1.00 0.31 H new ATOM 0 HE1 PHE A 68 0.094 -0.381 0.972 1.00 0.28 H new ATOM 0 HE2 PHE A 68 4.078 0.280 -0.489 1.00 0.30 H new ATOM 0 HZ PHE A 68 2.438 0.322 1.368 1.00 0.29 H new ATOM 1011 N LEU A 69 2.058 0.829 -5.640 1.00 0.30 N ATOM 1012 CA LEU A 69 3.089 1.859 -5.963 1.00 0.30 C ATOM 1013 C LEU A 69 2.395 3.157 -6.387 1.00 0.33 C ATOM 1014 O LEU A 69 2.945 4.232 -6.262 1.00 0.36 O ATOM 1015 CB LEU A 69 3.977 1.375 -7.111 1.00 0.23 C ATOM 1016 CG LEU A 69 4.827 0.176 -6.669 1.00 0.22 C ATOM 1017 CD1 LEU A 69 5.612 -0.345 -7.878 1.00 0.25 C ATOM 1018 CD2 LEU A 69 5.807 0.595 -5.554 1.00 0.22 C ATOM 0 H LEU A 69 1.986 0.059 -6.305 1.00 0.30 H new ATOM 0 HA LEU A 69 3.703 2.032 -5.079 1.00 0.30 H new ATOM 0 HB2 LEU A 69 3.358 1.094 -7.963 1.00 0.23 H new ATOM 0 HB3 LEU A 69 4.626 2.185 -7.442 1.00 0.23 H new ATOM 0 HG LEU A 69 4.175 -0.607 -6.281 1.00 0.22 H new ATOM 0 HD11 LEU A 69 6.220 -1.198 -7.577 1.00 0.25 H new ATOM 0 HD12 LEU A 69 4.916 -0.653 -8.658 1.00 0.25 H new ATOM 0 HD13 LEU A 69 6.258 0.445 -8.260 1.00 0.25 H new ATOM 0 HD21 LEU A 69 6.403 -0.266 -5.251 1.00 0.22 H new ATOM 0 HD22 LEU A 69 6.466 1.380 -5.925 1.00 0.22 H new ATOM 0 HD23 LEU A 69 5.246 0.967 -4.697 1.00 0.22 H new ATOM 1030 N THR A 70 1.193 3.069 -6.897 1.00 0.35 N ATOM 1031 CA THR A 70 0.485 4.305 -7.331 1.00 0.40 C ATOM 1032 C THR A 70 -0.007 5.068 -6.098 1.00 0.47 C ATOM 1033 O THR A 70 -0.013 6.283 -6.078 1.00 0.43 O ATOM 1034 CB THR A 70 -0.695 3.939 -8.245 1.00 0.43 C ATOM 1035 OG1 THR A 70 -0.197 3.380 -9.452 1.00 0.38 O ATOM 1036 CG2 THR A 70 -1.506 5.195 -8.566 1.00 0.49 C ATOM 0 H THR A 70 0.676 2.200 -7.030 1.00 0.35 H new ATOM 0 HA THR A 70 1.170 4.941 -7.891 1.00 0.40 H new ATOM 0 HB THR A 70 -1.334 3.215 -7.740 1.00 0.43 H new ATOM 0 HG1 THR A 70 -0.947 3.144 -10.037 1.00 0.38 H new ATOM 0 HG21 THR A 70 -2.342 4.932 -9.214 1.00 0.49 H new ATOM 0 HG22 THR A 70 -1.886 5.629 -7.641 1.00 0.49 H new ATOM 0 HG23 THR A 70 -0.869 5.920 -9.072 1.00 0.49 H new ATOM 1044 N MET A 71 -0.410 4.377 -5.064 1.00 0.59 N ATOM 1045 CA MET A 71 -0.882 5.099 -3.842 1.00 0.67 C ATOM 1046 C MET A 71 0.325 5.706 -3.115 1.00 0.66 C ATOM 1047 O MET A 71 0.243 6.775 -2.543 1.00 0.67 O ATOM 1048 CB MET A 71 -1.719 4.162 -2.918 1.00 0.87 C ATOM 1049 CG MET A 71 -0.860 3.286 -1.971 1.00 0.85 C ATOM 1050 SD MET A 71 -1.848 2.855 -0.512 1.00 1.02 S ATOM 1051 CE MET A 71 -2.804 1.502 -1.243 1.00 0.83 C ATOM 0 H MET A 71 -0.434 3.359 -5.010 1.00 0.59 H new ATOM 0 HA MET A 71 -1.549 5.910 -4.136 1.00 0.67 H new ATOM 0 HB2 MET A 71 -2.398 4.770 -2.319 1.00 0.87 H new ATOM 0 HB3 MET A 71 -2.336 3.512 -3.539 1.00 0.87 H new ATOM 0 HG2 MET A 71 -0.534 2.382 -2.486 1.00 0.85 H new ATOM 0 HG3 MET A 71 0.039 3.824 -1.672 1.00 0.85 H new ATOM 0 HE1 MET A 71 -3.655 1.270 -0.603 1.00 0.83 H new ATOM 0 HE2 MET A 71 -3.162 1.800 -2.228 1.00 0.83 H new ATOM 0 HE3 MET A 71 -2.171 0.620 -1.339 1.00 0.83 H new ATOM 1061 N MET A 72 1.448 5.035 -3.138 1.00 0.65 N ATOM 1062 CA MET A 72 2.657 5.577 -2.455 1.00 0.65 C ATOM 1063 C MET A 72 3.223 6.745 -3.264 1.00 0.55 C ATOM 1064 O MET A 72 3.674 7.727 -2.713 1.00 0.59 O ATOM 1065 CB MET A 72 3.716 4.477 -2.341 1.00 0.67 C ATOM 1066 CG MET A 72 3.272 3.438 -1.308 1.00 0.66 C ATOM 1067 SD MET A 72 3.302 4.174 0.348 1.00 0.96 S ATOM 1068 CE MET A 72 5.023 3.777 0.745 1.00 0.41 C ATOM 0 H MET A 72 1.578 4.135 -3.601 1.00 0.65 H new ATOM 0 HA MET A 72 2.383 5.924 -1.459 1.00 0.65 H new ATOM 0 HB2 MET A 72 3.865 4.000 -3.310 1.00 0.67 H new ATOM 0 HB3 MET A 72 4.673 4.909 -2.048 1.00 0.67 H new ATOM 0 HG2 MET A 72 2.268 3.085 -1.542 1.00 0.66 H new ATOM 0 HG3 MET A 72 3.931 2.571 -1.343 1.00 0.66 H new ATOM 0 HE1 MET A 72 5.201 3.951 1.806 1.00 0.41 H new ATOM 0 HE2 MET A 72 5.218 2.731 0.511 1.00 0.41 H new ATOM 0 HE3 MET A 72 5.687 4.411 0.157 1.00 0.41 H new ATOM 1078 N ALA A 73 3.206 6.650 -4.569 1.00 0.42 N ATOM 1079 CA ALA A 73 3.747 7.762 -5.396 1.00 0.33 C ATOM 1080 C ALA A 73 2.872 9.003 -5.211 1.00 0.34 C ATOM 1081 O ALA A 73 3.335 10.121 -5.323 1.00 0.35 O ATOM 1082 CB ALA A 73 3.754 7.354 -6.871 1.00 0.25 C ATOM 0 H ALA A 73 2.842 5.854 -5.092 1.00 0.42 H new ATOM 0 HA ALA A 73 4.767 7.984 -5.082 1.00 0.33 H new ATOM 0 HB1 ALA A 73 4.151 8.172 -7.473 1.00 0.25 H new ATOM 0 HB2 ALA A 73 4.379 6.471 -7.001 1.00 0.25 H new ATOM 0 HB3 ALA A 73 2.737 7.129 -7.191 1.00 0.25 H new ATOM 1222 N GLU A 82 10.238 21.508 -1.447 1.00 0.27 N ATOM 1223 CA GLU A 82 9.795 22.814 -0.898 1.00 0.27 C ATOM 1224 C GLU A 82 9.957 22.827 0.629 1.00 0.18 C ATOM 1225 O GLU A 82 10.193 23.856 1.233 1.00 0.17 O ATOM 1226 CB GLU A 82 8.326 23.036 -1.328 1.00 0.40 C ATOM 1227 CG GLU A 82 7.345 22.635 -0.216 1.00 1.61 C ATOM 1228 CD GLU A 82 5.936 22.500 -0.800 1.00 1.54 C ATOM 1229 OE1 GLU A 82 5.263 23.512 -0.911 1.00 1.44 O ATOM 1230 OE2 GLU A 82 5.557 21.387 -1.128 1.00 2.23 O ATOM 0 HA GLU A 82 10.406 23.629 -1.286 1.00 0.27 H new ATOM 0 HB2 GLU A 82 8.176 24.084 -1.586 1.00 0.40 H new ATOM 0 HB3 GLU A 82 8.117 22.454 -2.226 1.00 0.40 H new ATOM 0 HG2 GLU A 82 7.655 21.692 0.234 1.00 1.61 H new ATOM 0 HG3 GLU A 82 7.351 23.384 0.576 1.00 1.61 H new ATOM 1237 N GLU A 83 9.828 21.692 1.252 1.00 0.29 N ATOM 1238 CA GLU A 83 9.964 21.627 2.737 1.00 0.23 C ATOM 1239 C GLU A 83 11.439 21.755 3.132 1.00 0.16 C ATOM 1240 O GLU A 83 11.762 22.086 4.257 1.00 0.08 O ATOM 1241 CB GLU A 83 9.404 20.288 3.250 1.00 0.30 C ATOM 1242 CG GLU A 83 7.870 20.342 3.305 1.00 0.52 C ATOM 1243 CD GLU A 83 7.352 19.133 4.085 1.00 0.56 C ATOM 1244 OE1 GLU A 83 7.783 18.951 5.212 1.00 0.78 O ATOM 1245 OE2 GLU A 83 6.533 18.408 3.545 1.00 1.37 O ATOM 0 H GLU A 83 9.633 20.800 0.797 1.00 0.29 H new ATOM 0 HA GLU A 83 9.403 22.448 3.183 1.00 0.23 H new ATOM 0 HB2 GLU A 83 9.724 19.477 2.596 1.00 0.30 H new ATOM 0 HB3 GLU A 83 9.804 20.074 4.241 1.00 0.30 H new ATOM 0 HG2 GLU A 83 7.544 21.265 3.783 1.00 0.52 H new ATOM 0 HG3 GLU A 83 7.458 20.343 2.296 1.00 0.52 H new ATOM 1252 N GLU A 84 12.334 21.502 2.224 1.00 0.22 N ATOM 1253 CA GLU A 84 13.784 21.613 2.550 1.00 0.22 C ATOM 1254 C GLU A 84 14.228 23.064 2.375 1.00 0.20 C ATOM 1255 O GLU A 84 15.101 23.550 3.071 1.00 0.24 O ATOM 1256 CB GLU A 84 14.591 20.718 1.606 1.00 0.32 C ATOM 1257 CG GLU A 84 14.190 19.257 1.823 1.00 0.21 C ATOM 1258 CD GLU A 84 15.129 18.345 1.028 1.00 1.00 C ATOM 1259 OE1 GLU A 84 15.856 18.858 0.193 1.00 2.01 O ATOM 1260 OE2 GLU A 84 15.104 17.148 1.267 1.00 1.24 O ATOM 0 H GLU A 84 12.126 21.222 1.266 1.00 0.22 H new ATOM 0 HA GLU A 84 13.952 21.298 3.580 1.00 0.22 H new ATOM 0 HB2 GLU A 84 14.410 21.006 0.571 1.00 0.32 H new ATOM 0 HB3 GLU A 84 15.658 20.845 1.790 1.00 0.32 H new ATOM 0 HG2 GLU A 84 14.238 19.010 2.883 1.00 0.21 H new ATOM 0 HG3 GLU A 84 13.159 19.101 1.505 1.00 0.21 H new ATOM 1267 N ILE A 85 13.630 23.759 1.454 1.00 0.19 N ATOM 1268 CA ILE A 85 14.011 25.181 1.229 1.00 0.20 C ATOM 1269 C ILE A 85 13.390 26.059 2.324 1.00 0.19 C ATOM 1270 O ILE A 85 14.046 26.914 2.888 1.00 0.20 O ATOM 1271 CB ILE A 85 13.520 25.648 -0.156 1.00 0.21 C ATOM 1272 CG1 ILE A 85 14.418 25.058 -1.250 1.00 0.20 C ATOM 1273 CG2 ILE A 85 13.563 27.188 -0.233 1.00 0.20 C ATOM 1274 CD1 ILE A 85 13.833 25.408 -2.618 1.00 0.26 C ATOM 0 H ILE A 85 12.892 23.405 0.845 1.00 0.19 H new ATOM 0 HA ILE A 85 15.097 25.270 1.266 1.00 0.20 H new ATOM 0 HB ILE A 85 12.496 25.306 -0.304 1.00 0.21 H new ATOM 0 HG12 ILE A 85 15.430 25.454 -1.161 1.00 0.20 H new ATOM 0 HG13 ILE A 85 14.488 23.976 -1.136 1.00 0.20 H new ATOM 0 HG21 ILE A 85 13.215 27.513 -1.214 1.00 0.20 H new ATOM 0 HG22 ILE A 85 12.918 27.609 0.539 1.00 0.20 H new ATOM 0 HG23 ILE A 85 14.586 27.532 -0.079 1.00 0.20 H new ATOM 0 HD11 ILE A 85 14.466 24.992 -3.402 1.00 0.26 H new ATOM 0 HD12 ILE A 85 12.830 24.991 -2.702 1.00 0.26 H new ATOM 0 HD13 ILE A 85 13.786 26.491 -2.727 1.00 0.26 H new ATOM 1286 N ARG A 86 12.136 25.865 2.627 1.00 0.18 N ATOM 1287 CA ARG A 86 11.493 26.701 3.675 1.00 0.17 C ATOM 1288 C ARG A 86 12.188 26.454 5.015 1.00 0.16 C ATOM 1289 O ARG A 86 12.476 27.376 5.751 1.00 0.17 O ATOM 1290 CB ARG A 86 10.012 26.330 3.783 1.00 0.14 C ATOM 1291 CG ARG A 86 9.272 27.397 4.593 1.00 0.80 C ATOM 1292 CD ARG A 86 7.898 26.864 5.005 1.00 0.79 C ATOM 1293 NE ARG A 86 7.242 26.177 3.844 1.00 0.31 N ATOM 1294 CZ ARG A 86 7.044 26.789 2.703 1.00 1.35 C ATOM 1295 NH1 ARG A 86 7.247 28.074 2.596 1.00 2.19 N ATOM 1296 NH2 ARG A 86 6.587 26.120 1.682 1.00 2.01 N ATOM 0 H ARG A 86 11.532 25.166 2.195 1.00 0.18 H new ATOM 0 HA ARG A 86 11.581 27.755 3.411 1.00 0.17 H new ATOM 0 HB2 ARG A 86 9.574 26.246 2.788 1.00 0.14 H new ATOM 0 HB3 ARG A 86 9.905 25.357 4.262 1.00 0.14 H new ATOM 0 HG2 ARG A 86 9.851 27.663 5.478 1.00 0.80 H new ATOM 0 HG3 ARG A 86 9.159 28.305 4.001 1.00 0.80 H new ATOM 0 HD2 ARG A 86 8.004 26.168 5.837 1.00 0.79 H new ATOM 0 HD3 ARG A 86 7.271 27.684 5.354 1.00 0.79 H new ATOM 0 HE ARG A 86 6.942 25.207 3.946 1.00 0.31 H new ATOM 0 HH11 ARG A 86 7.562 28.610 3.405 1.00 2.19 H new ATOM 0 HH12 ARG A 86 7.090 28.543 1.704 1.00 2.19 H new ATOM 0 HH21 ARG A 86 6.385 25.124 1.774 1.00 2.01 H new ATOM 0 HH22 ARG A 86 6.431 26.592 0.791 1.00 2.01 H new ATOM 1310 N GLU A 87 12.468 25.220 5.341 1.00 0.14 N ATOM 1311 CA GLU A 87 13.150 24.945 6.636 1.00 0.13 C ATOM 1312 C GLU A 87 14.549 25.567 6.598 1.00 0.11 C ATOM 1313 O GLU A 87 15.106 25.909 7.622 1.00 0.11 O ATOM 1314 CB GLU A 87 13.235 23.425 6.890 1.00 0.11 C ATOM 1315 CG GLU A 87 11.943 22.935 7.553 1.00 0.42 C ATOM 1316 CD GLU A 87 11.934 21.406 7.583 1.00 0.69 C ATOM 1317 OE1 GLU A 87 13.008 20.826 7.545 1.00 1.36 O ATOM 1318 OE2 GLU A 87 10.856 20.839 7.640 1.00 1.76 O ATOM 0 H GLU A 87 12.256 24.400 4.773 1.00 0.14 H new ATOM 0 HA GLU A 87 12.579 25.386 7.453 1.00 0.13 H new ATOM 0 HB2 GLU A 87 13.394 22.898 5.949 1.00 0.11 H new ATOM 0 HB3 GLU A 87 14.090 23.201 7.529 1.00 0.11 H new ATOM 0 HG2 GLU A 87 11.869 23.330 8.566 1.00 0.42 H new ATOM 0 HG3 GLU A 87 11.077 23.304 7.003 1.00 0.42 H new ATOM 1325 N ALA A 88 15.111 25.762 5.431 1.00 0.08 N ATOM 1326 CA ALA A 88 16.446 26.410 5.373 1.00 0.06 C ATOM 1327 C ALA A 88 16.224 27.899 5.543 1.00 0.07 C ATOM 1328 O ALA A 88 16.947 28.575 6.234 1.00 0.13 O ATOM 1329 CB ALA A 88 17.111 26.159 4.022 1.00 0.05 C ATOM 0 H ALA A 88 14.706 25.503 4.531 1.00 0.08 H new ATOM 0 HA ALA A 88 17.093 26.005 6.151 1.00 0.06 H new ATOM 0 HB1 ALA A 88 18.088 26.643 4.002 1.00 0.05 H new ATOM 0 HB2 ALA A 88 17.234 25.087 3.871 1.00 0.05 H new ATOM 0 HB3 ALA A 88 16.487 26.568 3.228 1.00 0.05 H new ATOM 1335 N PHE A 89 15.207 28.415 4.927 1.00 0.13 N ATOM 1336 CA PHE A 89 14.943 29.857 5.083 1.00 0.12 C ATOM 1337 C PHE A 89 14.617 30.119 6.556 1.00 0.15 C ATOM 1338 O PHE A 89 14.851 31.196 7.068 1.00 0.15 O ATOM 1339 CB PHE A 89 13.779 30.276 4.170 1.00 0.15 C ATOM 1340 CG PHE A 89 14.318 30.675 2.807 1.00 0.17 C ATOM 1341 CD1 PHE A 89 15.127 31.808 2.687 1.00 0.19 C ATOM 1342 CD2 PHE A 89 14.015 29.910 1.666 1.00 0.19 C ATOM 1343 CE1 PHE A 89 15.620 32.181 1.451 1.00 0.22 C ATOM 1344 CE2 PHE A 89 14.526 30.296 0.402 1.00 0.21 C ATOM 1345 CZ PHE A 89 15.332 31.449 0.316 1.00 0.23 C ATOM 0 H PHE A 89 14.556 27.906 4.330 1.00 0.13 H new ATOM 0 HA PHE A 89 15.814 30.446 4.794 1.00 0.12 H new ATOM 0 HB2 PHE A 89 13.071 29.454 4.066 1.00 0.15 H new ATOM 0 HB3 PHE A 89 13.236 31.109 4.616 1.00 0.15 H new ATOM 0 HD1 PHE A 89 15.368 32.393 3.562 1.00 0.19 H new ATOM 0 HD2 PHE A 89 13.394 29.030 1.753 1.00 0.19 H new ATOM 0 HE1 PHE A 89 16.242 33.061 1.371 1.00 0.22 H new ATOM 0 HE2 PHE A 89 14.302 29.716 -0.481 1.00 0.21 H new ATOM 0 HZ PHE A 89 15.725 31.761 -0.640 1.00 0.23 H new ATOM 1355 N ARG A 90 14.114 29.130 7.258 1.00 0.21 N ATOM 1356 CA ARG A 90 13.827 29.336 8.705 1.00 0.27 C ATOM 1357 C ARG A 90 15.168 29.532 9.413 1.00 0.26 C ATOM 1358 O ARG A 90 15.337 30.422 10.221 1.00 0.29 O ATOM 1359 CB ARG A 90 13.096 28.108 9.273 1.00 0.33 C ATOM 1360 CG ARG A 90 11.582 28.265 9.068 1.00 1.15 C ATOM 1361 CD ARG A 90 10.850 27.002 9.549 1.00 1.25 C ATOM 1362 NE ARG A 90 9.571 26.843 8.780 1.00 2.53 N ATOM 1363 CZ ARG A 90 8.717 27.828 8.674 1.00 3.36 C ATOM 1364 NH1 ARG A 90 8.855 28.903 9.400 1.00 3.37 N ATOM 1365 NH2 ARG A 90 7.687 27.711 7.882 1.00 4.48 N ATOM 0 H ARG A 90 13.894 28.203 6.894 1.00 0.21 H new ATOM 0 HA ARG A 90 13.188 30.206 8.855 1.00 0.27 H new ATOM 0 HB2 ARG A 90 13.448 27.203 8.778 1.00 0.33 H new ATOM 0 HB3 ARG A 90 13.319 27.999 10.334 1.00 0.33 H new ATOM 0 HG2 ARG A 90 11.221 29.135 9.617 1.00 1.15 H new ATOM 0 HG3 ARG A 90 11.366 28.441 8.014 1.00 1.15 H new ATOM 0 HD2 ARG A 90 11.483 26.126 9.408 1.00 1.25 H new ATOM 0 HD3 ARG A 90 10.639 27.075 10.616 1.00 1.25 H new ATOM 0 HE ARG A 90 9.364 25.950 8.332 1.00 2.53 H new ATOM 0 HH11 ARG A 90 9.633 28.979 10.056 1.00 3.37 H new ATOM 0 HH12 ARG A 90 8.185 29.667 9.312 1.00 3.37 H new ATOM 0 HH21 ARG A 90 7.549 26.853 7.348 1.00 4.48 H new ATOM 0 HH22 ARG A 90 7.019 28.477 7.797 1.00 4.48 H new ATOM 1379 N VAL A 91 16.135 28.721 9.081 1.00 0.24 N ATOM 1380 CA VAL A 91 17.486 28.876 9.698 1.00 0.27 C ATOM 1381 C VAL A 91 17.935 30.320 9.464 1.00 0.28 C ATOM 1382 O VAL A 91 18.811 30.834 10.131 1.00 0.33 O ATOM 1383 CB VAL A 91 18.480 27.903 9.004 1.00 0.24 C ATOM 1384 CG1 VAL A 91 19.915 28.458 9.047 1.00 0.26 C ATOM 1385 CG2 VAL A 91 18.452 26.535 9.702 1.00 0.25 C ATOM 0 H VAL A 91 16.050 27.958 8.410 1.00 0.24 H new ATOM 0 HA VAL A 91 17.456 28.651 10.764 1.00 0.27 H new ATOM 0 HB VAL A 91 18.172 27.796 7.964 1.00 0.24 H new ATOM 0 HG11 VAL A 91 20.591 27.758 8.555 1.00 0.26 H new ATOM 0 HG12 VAL A 91 19.949 29.418 8.532 1.00 0.26 H new ATOM 0 HG13 VAL A 91 20.223 28.591 10.084 1.00 0.26 H new ATOM 0 HG21 VAL A 91 19.152 25.860 9.209 1.00 0.25 H new ATOM 0 HG22 VAL A 91 18.738 26.654 10.747 1.00 0.25 H new ATOM 0 HG23 VAL A 91 17.446 26.119 9.646 1.00 0.25 H new ATOM 1395 N PHE A 92 17.367 30.950 8.476 1.00 0.24 N ATOM 1396 CA PHE A 92 17.764 32.336 8.114 1.00 0.25 C ATOM 1397 C PHE A 92 16.784 33.368 8.672 1.00 0.25 C ATOM 1398 O PHE A 92 17.009 34.558 8.596 1.00 0.33 O ATOM 1399 CB PHE A 92 17.822 32.374 6.585 1.00 0.20 C ATOM 1400 CG PHE A 92 19.211 32.003 6.154 1.00 0.23 C ATOM 1401 CD1 PHE A 92 19.589 30.658 5.975 1.00 0.18 C ATOM 1402 CD2 PHE A 92 20.131 33.022 5.988 1.00 0.31 C ATOM 1403 CE1 PHE A 92 20.904 30.354 5.631 1.00 0.21 C ATOM 1404 CE2 PHE A 92 21.447 32.720 5.629 1.00 0.35 C ATOM 1405 CZ PHE A 92 21.833 31.382 5.457 1.00 0.29 C ATOM 0 H PHE A 92 16.630 30.554 7.893 1.00 0.24 H new ATOM 0 HA PHE A 92 18.730 32.594 8.547 1.00 0.25 H new ATOM 0 HB2 PHE A 92 17.095 31.681 6.161 1.00 0.20 H new ATOM 0 HB3 PHE A 92 17.565 33.368 6.220 1.00 0.20 H new ATOM 0 HD1 PHE A 92 18.864 29.868 6.104 1.00 0.18 H new ATOM 0 HD2 PHE A 92 19.833 34.049 6.136 1.00 0.31 H new ATOM 0 HE1 PHE A 92 21.205 29.325 5.499 1.00 0.21 H new ATOM 0 HE2 PHE A 92 22.165 33.514 5.484 1.00 0.35 H new ATOM 0 HZ PHE A 92 22.852 31.146 5.189 1.00 0.29 H new ATOM 1415 N ASP A 93 15.731 32.918 9.262 1.00 0.25 N ATOM 1416 CA ASP A 93 14.729 33.851 9.868 1.00 0.24 C ATOM 1417 C ASP A 93 15.097 34.092 11.334 1.00 0.56 C ATOM 1418 O ASP A 93 14.379 33.718 12.240 1.00 0.68 O ATOM 1419 CB ASP A 93 13.326 33.238 9.783 1.00 0.27 C ATOM 1420 CG ASP A 93 12.311 34.206 10.386 1.00 0.20 C ATOM 1421 OD1 ASP A 93 12.728 35.245 10.870 1.00 1.38 O ATOM 1422 OD2 ASP A 93 11.131 33.895 10.353 1.00 1.06 O ATOM 0 H ASP A 93 15.505 31.928 9.359 1.00 0.25 H new ATOM 0 HA ASP A 93 14.735 34.796 9.325 1.00 0.24 H new ATOM 0 HB2 ASP A 93 13.072 33.028 8.744 1.00 0.27 H new ATOM 0 HB3 ASP A 93 13.300 32.288 10.316 1.00 0.27 H new ATOM 1489 N TYR A 99 10.728 37.586 7.350 1.00 0.26 N ATOM 1490 CA TYR A 99 11.466 38.483 6.395 1.00 0.32 C ATOM 1491 C TYR A 99 12.969 38.437 6.689 1.00 0.25 C ATOM 1492 O TYR A 99 13.393 38.410 7.826 1.00 0.19 O ATOM 1493 CB TYR A 99 10.963 39.917 6.566 1.00 0.38 C ATOM 1494 CG TYR A 99 9.566 40.025 6.002 1.00 0.45 C ATOM 1495 CD1 TYR A 99 8.462 39.760 6.818 1.00 1.50 C ATOM 1496 CD2 TYR A 99 9.376 40.387 4.664 1.00 1.90 C ATOM 1497 CE1 TYR A 99 7.166 39.855 6.298 1.00 1.43 C ATOM 1498 CE2 TYR A 99 8.080 40.482 4.142 1.00 1.99 C ATOM 1499 CZ TYR A 99 6.975 40.217 4.959 1.00 0.60 C ATOM 1500 OH TYR A 99 5.698 40.310 4.444 1.00 0.69 O ATOM 0 HA TYR A 99 11.291 38.145 5.374 1.00 0.32 H new ATOM 0 HB2 TYR A 99 10.964 40.192 7.621 1.00 0.38 H new ATOM 0 HB3 TYR A 99 11.629 40.612 6.055 1.00 0.38 H new ATOM 0 HD1 TYR A 99 8.609 39.482 7.851 1.00 1.50 H new ATOM 0 HD2 TYR A 99 10.229 40.593 4.034 1.00 1.90 H new ATOM 0 HE1 TYR A 99 6.314 39.649 6.929 1.00 1.43 H new ATOM 0 HE2 TYR A 99 7.933 40.760 3.109 1.00 1.99 H new ATOM 0 HH TYR A 99 5.744 40.573 3.501 1.00 0.69 H new ATOM 1510 N ILE A 100 13.776 38.443 5.656 1.00 0.23 N ATOM 1511 CA ILE A 100 15.260 38.416 5.844 1.00 0.14 C ATOM 1512 C ILE A 100 15.913 39.354 4.817 1.00 0.21 C ATOM 1513 O ILE A 100 15.244 39.920 3.975 1.00 0.38 O ATOM 1514 CB ILE A 100 15.798 36.994 5.651 1.00 0.08 C ATOM 1515 CG1 ILE A 100 15.121 36.326 4.448 1.00 0.35 C ATOM 1516 CG2 ILE A 100 15.544 36.160 6.904 1.00 0.24 C ATOM 1517 CD1 ILE A 100 15.746 34.950 4.181 1.00 0.26 C ATOM 0 H ILE A 100 13.468 38.466 4.684 1.00 0.23 H new ATOM 0 HA ILE A 100 15.497 38.745 6.856 1.00 0.14 H new ATOM 0 HB ILE A 100 16.871 37.055 5.469 1.00 0.08 H new ATOM 0 HG12 ILE A 100 14.053 36.217 4.637 1.00 0.35 H new ATOM 0 HG13 ILE A 100 15.226 36.958 3.566 1.00 0.35 H new ATOM 0 HG21 ILE A 100 15.931 35.152 6.755 1.00 0.24 H new ATOM 0 HG22 ILE A 100 16.047 36.619 7.755 1.00 0.24 H new ATOM 0 HG23 ILE A 100 14.473 36.113 7.098 1.00 0.24 H new ATOM 0 HD11 ILE A 100 15.256 34.488 3.324 1.00 0.26 H new ATOM 0 HD12 ILE A 100 16.809 35.068 3.971 1.00 0.26 H new ATOM 0 HD13 ILE A 100 15.618 34.316 5.058 1.00 0.26 H new ATOM 1529 N SER A 101 17.213 39.533 4.877 1.00 0.27 N ATOM 1530 CA SER A 101 17.880 40.445 3.897 1.00 0.36 C ATOM 1531 C SER A 101 18.109 39.731 2.562 1.00 0.20 C ATOM 1532 O SER A 101 18.462 38.571 2.513 1.00 0.19 O ATOM 1533 CB SER A 101 19.211 40.926 4.463 1.00 0.53 C ATOM 1534 OG SER A 101 20.099 39.825 4.596 1.00 0.55 O ATOM 0 H SER A 101 17.834 39.091 5.555 1.00 0.27 H new ATOM 0 HA SER A 101 17.230 41.302 3.723 1.00 0.36 H new ATOM 0 HB2 SER A 101 19.646 41.679 3.806 1.00 0.53 H new ATOM 0 HB3 SER A 101 19.055 41.400 5.432 1.00 0.53 H new ATOM 0 HG SER A 101 19.950 39.387 5.460 1.00 0.55 H new ATOM 1540 N ALA A 102 17.911 40.429 1.480 1.00 0.22 N ATOM 1541 CA ALA A 102 18.119 39.817 0.136 1.00 0.17 C ATOM 1542 C ALA A 102 19.415 39.010 0.113 1.00 0.15 C ATOM 1543 O ALA A 102 19.495 37.966 -0.502 1.00 0.19 O ATOM 1544 CB ALA A 102 18.206 40.930 -0.905 1.00 0.26 C ATOM 0 H ALA A 102 17.612 41.404 1.467 1.00 0.22 H new ATOM 0 HA ALA A 102 17.285 39.152 -0.086 1.00 0.17 H new ATOM 0 HB1 ALA A 102 18.358 40.494 -1.892 1.00 0.26 H new ATOM 0 HB2 ALA A 102 17.280 41.505 -0.901 1.00 0.26 H new ATOM 0 HB3 ALA A 102 19.042 41.587 -0.666 1.00 0.26 H new ATOM 1550 N ALA A 103 20.437 39.485 0.762 1.00 0.26 N ATOM 1551 CA ALA A 103 21.723 38.737 0.755 1.00 0.37 C ATOM 1552 C ALA A 103 21.549 37.426 1.510 1.00 0.29 C ATOM 1553 O ALA A 103 21.619 36.359 0.942 1.00 0.33 O ATOM 1554 CB ALA A 103 22.816 39.575 1.422 1.00 0.58 C ATOM 0 H ALA A 103 20.439 40.355 1.295 1.00 0.26 H new ATOM 0 HA ALA A 103 22.014 38.529 -0.275 1.00 0.37 H new ATOM 0 HB1 ALA A 103 23.755 39.021 1.414 1.00 0.58 H new ATOM 0 HB2 ALA A 103 22.941 40.510 0.876 1.00 0.58 H new ATOM 0 HB3 ALA A 103 22.531 39.791 2.452 1.00 0.58 H new ATOM 1560 N GLU A 104 21.319 37.501 2.782 1.00 0.42 N ATOM 1561 CA GLU A 104 21.133 36.261 3.578 1.00 0.45 C ATOM 1562 C GLU A 104 20.043 35.394 2.910 1.00 0.25 C ATOM 1563 O GLU A 104 19.997 34.195 3.102 1.00 0.26 O ATOM 1564 CB GLU A 104 20.803 36.649 5.036 1.00 0.82 C ATOM 1565 CG GLU A 104 19.313 36.815 5.256 1.00 1.21 C ATOM 1566 CD GLU A 104 19.083 37.306 6.688 1.00 0.75 C ATOM 1567 OE1 GLU A 104 19.347 38.472 6.944 1.00 0.38 O ATOM 1568 OE2 GLU A 104 18.650 36.510 7.503 1.00 1.50 O ATOM 0 H GLU A 104 21.251 38.371 3.311 1.00 0.42 H new ATOM 0 HA GLU A 104 22.042 35.660 3.606 1.00 0.45 H new ATOM 0 HB2 GLU A 104 21.186 35.883 5.710 1.00 0.82 H new ATOM 0 HB3 GLU A 104 21.312 37.579 5.288 1.00 0.82 H new ATOM 0 HG2 GLU A 104 18.902 37.528 4.541 1.00 1.21 H new ATOM 0 HG3 GLU A 104 18.799 35.868 5.093 1.00 1.21 H new ATOM 1575 N LEU A 105 19.201 35.978 2.085 1.00 0.25 N ATOM 1576 CA LEU A 105 18.162 35.167 1.360 1.00 0.31 C ATOM 1577 C LEU A 105 18.859 34.469 0.193 1.00 0.27 C ATOM 1578 O LEU A 105 18.812 33.265 0.056 1.00 0.35 O ATOM 1579 CB LEU A 105 17.050 36.095 0.836 1.00 0.45 C ATOM 1580 CG LEU A 105 16.170 35.385 -0.266 1.00 0.41 C ATOM 1581 CD1 LEU A 105 14.659 35.446 0.037 1.00 0.45 C ATOM 1582 CD2 LEU A 105 16.406 36.042 -1.623 1.00 0.48 C ATOM 0 H LEU A 105 19.187 36.978 1.882 1.00 0.25 H new ATOM 0 HA LEU A 105 17.707 34.434 2.026 1.00 0.31 H new ATOM 0 HB2 LEU A 105 16.414 36.406 1.665 1.00 0.45 H new ATOM 0 HB3 LEU A 105 17.496 36.998 0.420 1.00 0.45 H new ATOM 0 HG LEU A 105 16.475 34.338 -0.272 1.00 0.41 H new ATOM 0 HD11 LEU A 105 14.108 34.941 -0.757 1.00 0.45 H new ATOM 0 HD12 LEU A 105 14.458 34.953 0.988 1.00 0.45 H new ATOM 0 HD13 LEU A 105 14.341 36.487 0.094 1.00 0.45 H new ATOM 0 HD21 LEU A 105 15.796 35.547 -2.378 1.00 0.48 H new ATOM 0 HD22 LEU A 105 16.133 37.096 -1.569 1.00 0.48 H new ATOM 0 HD23 LEU A 105 17.459 35.953 -1.892 1.00 0.48 H new ATOM 1594 N ARG A 106 19.519 35.216 -0.635 1.00 0.32 N ATOM 1595 CA ARG A 106 20.237 34.600 -1.776 1.00 0.52 C ATOM 1596 C ARG A 106 21.219 33.585 -1.186 1.00 0.48 C ATOM 1597 O ARG A 106 21.546 32.579 -1.784 1.00 0.55 O ATOM 1598 CB ARG A 106 20.957 35.737 -2.551 1.00 0.67 C ATOM 1599 CG ARG A 106 22.467 35.479 -2.689 1.00 1.29 C ATOM 1600 CD ARG A 106 23.130 36.577 -3.556 1.00 1.27 C ATOM 1601 NE ARG A 106 24.059 35.948 -4.548 1.00 2.24 N ATOM 1602 CZ ARG A 106 24.914 35.024 -4.188 1.00 3.26 C ATOM 1603 NH1 ARG A 106 25.055 34.710 -2.929 1.00 3.75 N ATOM 1604 NH2 ARG A 106 25.649 34.435 -5.090 1.00 4.09 N ATOM 0 H ARG A 106 19.593 36.231 -0.572 1.00 0.32 H new ATOM 0 HA ARG A 106 19.577 34.085 -2.474 1.00 0.52 H new ATOM 0 HB2 ARG A 106 20.515 35.836 -3.542 1.00 0.67 H new ATOM 0 HB3 ARG A 106 20.797 36.684 -2.035 1.00 0.67 H new ATOM 0 HG2 ARG A 106 22.930 35.458 -1.702 1.00 1.29 H new ATOM 0 HG3 ARG A 106 22.635 34.501 -3.140 1.00 1.29 H new ATOM 0 HD2 ARG A 106 22.365 37.154 -4.076 1.00 1.27 H new ATOM 0 HD3 ARG A 106 23.678 37.273 -2.921 1.00 1.27 H new ATOM 0 HE ARG A 106 24.025 36.245 -5.523 1.00 2.24 H new ATOM 0 HH11 ARG A 106 24.497 35.185 -2.219 1.00 3.75 H new ATOM 0 HH12 ARG A 106 25.723 33.989 -2.655 1.00 3.75 H new ATOM 0 HH21 ARG A 106 25.557 34.695 -6.072 1.00 4.09 H new ATOM 0 HH22 ARG A 106 26.316 33.715 -4.813 1.00 4.09 H new ATOM 1618 N HIS A 107 21.689 33.875 -0.011 1.00 0.39 N ATOM 1619 CA HIS A 107 22.658 32.986 0.669 1.00 0.38 C ATOM 1620 C HIS A 107 21.948 31.679 1.069 1.00 0.26 C ATOM 1621 O HIS A 107 22.543 30.621 1.079 1.00 0.13 O ATOM 1622 CB HIS A 107 23.186 33.732 1.905 1.00 0.40 C ATOM 1623 CG HIS A 107 24.576 33.266 2.241 1.00 0.62 C ATOM 1624 ND1 HIS A 107 25.701 33.804 1.630 1.00 0.85 N ATOM 1625 CD2 HIS A 107 25.041 32.325 3.112 1.00 0.79 C ATOM 1626 CE1 HIS A 107 26.776 33.180 2.143 1.00 1.05 C ATOM 1627 NE2 HIS A 107 26.430 32.268 3.053 1.00 1.01 N ATOM 0 H HIS A 107 21.436 34.710 0.517 1.00 0.39 H new ATOM 0 HA HIS A 107 23.492 32.730 0.016 1.00 0.38 H new ATOM 0 HB2 HIS A 107 23.191 34.805 1.716 1.00 0.40 H new ATOM 0 HB3 HIS A 107 22.523 33.561 2.753 1.00 0.40 H new ATOM 0 HD2 HIS A 107 24.422 31.714 3.753 1.00 0.79 H new ATOM 0 HE1 HIS A 107 27.795 33.391 1.854 1.00 1.05 H new ATOM 0 HE2 HIS A 107 27.049 31.661 3.589 1.00 1.01 H new ATOM 1635 N VAL A 108 20.674 31.742 1.370 1.00 0.32 N ATOM 1636 CA VAL A 108 19.921 30.499 1.732 1.00 0.23 C ATOM 1637 C VAL A 108 19.922 29.586 0.512 1.00 0.27 C ATOM 1638 O VAL A 108 19.979 28.378 0.617 1.00 0.25 O ATOM 1639 CB VAL A 108 18.452 30.834 2.055 1.00 0.19 C ATOM 1640 CG1 VAL A 108 17.638 29.526 2.186 1.00 0.17 C ATOM 1641 CG2 VAL A 108 18.361 31.635 3.365 1.00 0.16 C ATOM 0 H VAL A 108 20.122 32.600 1.381 1.00 0.32 H new ATOM 0 HA VAL A 108 20.389 30.033 2.599 1.00 0.23 H new ATOM 0 HB VAL A 108 18.042 31.438 1.246 1.00 0.19 H new ATOM 0 HG11 VAL A 108 16.599 29.765 2.414 1.00 0.17 H new ATOM 0 HG12 VAL A 108 17.685 28.973 1.248 1.00 0.17 H new ATOM 0 HG13 VAL A 108 18.055 28.917 2.988 1.00 0.17 H new ATOM 0 HG21 VAL A 108 17.317 31.864 3.580 1.00 0.16 H new ATOM 0 HG22 VAL A 108 18.779 31.046 4.181 1.00 0.16 H new ATOM 0 HG23 VAL A 108 18.923 32.564 3.263 1.00 0.16 H new ATOM 1651 N MET A 109 19.809 30.175 -0.650 1.00 0.32 N ATOM 1652 CA MET A 109 19.749 29.367 -1.892 1.00 0.37 C ATOM 1653 C MET A 109 21.143 28.816 -2.247 1.00 0.38 C ATOM 1654 O MET A 109 21.261 27.744 -2.808 1.00 0.39 O ATOM 1655 CB MET A 109 19.210 30.233 -3.052 1.00 0.44 C ATOM 1656 CG MET A 109 17.905 30.941 -2.640 1.00 0.33 C ATOM 1657 SD MET A 109 17.707 32.447 -3.624 1.00 0.26 S ATOM 1658 CE MET A 109 17.038 31.662 -5.110 1.00 0.17 C ATOM 0 H MET A 109 19.756 31.184 -0.787 1.00 0.32 H new ATOM 0 HA MET A 109 19.077 28.524 -1.730 1.00 0.37 H new ATOM 0 HB2 MET A 109 19.957 30.973 -3.338 1.00 0.44 H new ATOM 0 HB3 MET A 109 19.030 29.608 -3.927 1.00 0.44 H new ATOM 0 HG2 MET A 109 17.054 30.278 -2.793 1.00 0.33 H new ATOM 0 HG3 MET A 109 17.930 31.187 -1.578 1.00 0.33 H new ATOM 0 HE1 MET A 109 16.922 32.409 -5.895 1.00 0.17 H new ATOM 0 HE2 MET A 109 17.721 30.883 -5.449 1.00 0.17 H new ATOM 0 HE3 MET A 109 16.068 31.220 -4.883 1.00 0.17 H new ATOM 1668 N THR A 110 22.201 29.534 -1.944 1.00 0.41 N ATOM 1669 CA THR A 110 23.564 29.049 -2.280 1.00 0.43 C ATOM 1670 C THR A 110 24.088 28.119 -1.171 1.00 0.31 C ATOM 1671 O THR A 110 24.664 27.083 -1.440 1.00 0.26 O ATOM 1672 CB THR A 110 24.473 30.292 -2.436 1.00 0.57 C ATOM 1673 OG1 THR A 110 23.689 31.458 -2.225 1.00 0.62 O ATOM 1674 CG2 THR A 110 25.075 30.353 -3.843 1.00 0.69 C ATOM 0 H THR A 110 22.170 30.440 -1.476 1.00 0.41 H new ATOM 0 HA THR A 110 23.553 28.474 -3.206 1.00 0.43 H new ATOM 0 HB THR A 110 25.283 30.230 -1.709 1.00 0.57 H new ATOM 0 HG1 THR A 110 24.254 32.253 -2.320 1.00 0.62 H new ATOM 0 HG21 THR A 110 25.710 31.235 -3.929 1.00 0.69 H new ATOM 0 HG22 THR A 110 25.670 29.458 -4.023 1.00 0.69 H new ATOM 0 HG23 THR A 110 24.274 30.410 -4.580 1.00 0.69 H new ATOM 1682 N ASN A 111 23.910 28.490 0.069 1.00 0.30 N ATOM 1683 CA ASN A 111 24.417 27.642 1.183 1.00 0.29 C ATOM 1684 C ASN A 111 23.739 26.277 1.158 1.00 0.19 C ATOM 1685 O ASN A 111 24.285 25.291 1.612 1.00 0.28 O ATOM 1686 CB ASN A 111 24.126 28.332 2.516 1.00 0.42 C ATOM 1687 CG ASN A 111 24.754 27.527 3.655 1.00 0.09 C ATOM 1688 OD1 ASN A 111 25.931 27.654 3.928 1.00 1.28 O ATOM 1689 ND2 ASN A 111 24.014 26.698 4.339 1.00 1.72 N ATOM 0 H ASN A 111 23.435 29.345 0.357 1.00 0.30 H new ATOM 0 HA ASN A 111 25.492 27.504 1.065 1.00 0.29 H new ATOM 0 HB2 ASN A 111 24.527 29.345 2.508 1.00 0.42 H new ATOM 0 HB3 ASN A 111 23.050 28.417 2.667 1.00 0.42 H new ATOM 0 HD21 ASN A 111 24.424 26.158 5.101 1.00 1.72 H new ATOM 0 HD22 ASN A 111 23.026 26.590 4.112 1.00 1.72 H new ATOM 1696 N LEU A 112 22.555 26.214 0.640 1.00 0.10 N ATOM 1697 CA LEU A 112 21.832 24.908 0.596 1.00 0.19 C ATOM 1698 C LEU A 112 22.637 23.894 -0.211 1.00 0.31 C ATOM 1699 O LEU A 112 22.536 22.698 -0.021 1.00 0.47 O ATOM 1700 CB LEU A 112 20.445 25.109 -0.037 1.00 0.16 C ATOM 1701 CG LEU A 112 19.412 25.448 1.054 1.00 0.14 C ATOM 1702 CD1 LEU A 112 18.103 25.879 0.390 1.00 0.10 C ATOM 1703 CD2 LEU A 112 19.175 24.223 1.978 1.00 0.40 C ATOM 0 H LEU A 112 22.049 27.006 0.243 1.00 0.10 H new ATOM 0 HA LEU A 112 21.710 24.529 1.611 1.00 0.19 H new ATOM 0 HB2 LEU A 112 20.485 25.912 -0.773 1.00 0.16 H new ATOM 0 HB3 LEU A 112 20.143 24.205 -0.567 1.00 0.16 H new ATOM 0 HG LEU A 112 19.791 26.265 1.668 1.00 0.14 H new ATOM 0 HD11 LEU A 112 17.368 26.120 1.158 1.00 0.10 H new ATOM 0 HD12 LEU A 112 18.282 26.757 -0.230 1.00 0.10 H new ATOM 0 HD13 LEU A 112 17.726 25.067 -0.231 1.00 0.10 H new ATOM 0 HD21 LEU A 112 18.442 24.481 2.743 1.00 0.40 H new ATOM 0 HD22 LEU A 112 18.803 23.387 1.386 1.00 0.40 H new ATOM 0 HD23 LEU A 112 20.113 23.940 2.455 1.00 0.40 H new ATOM 1715 N GLY A 113 23.423 24.374 -1.107 1.00 0.27 N ATOM 1716 CA GLY A 113 24.259 23.474 -1.959 1.00 0.42 C ATOM 1717 C GLY A 113 23.527 23.204 -3.271 1.00 0.28 C ATOM 1718 O GLY A 113 23.759 22.214 -3.934 1.00 0.24 O ATOM 0 H GLY A 113 23.534 25.369 -1.300 1.00 0.27 H new ATOM 0 HA2 GLY A 113 25.226 23.936 -2.157 1.00 0.42 H new ATOM 0 HA3 GLY A 113 24.454 22.537 -1.437 1.00 0.42 H new ATOM 1722 N GLU A 114 22.648 24.087 -3.648 1.00 0.24 N ATOM 1723 CA GLU A 114 21.897 23.905 -4.914 1.00 0.18 C ATOM 1724 C GLU A 114 22.794 24.341 -6.087 1.00 0.29 C ATOM 1725 O GLU A 114 23.560 25.275 -5.965 1.00 0.51 O ATOM 1726 CB GLU A 114 20.633 24.769 -4.861 1.00 0.26 C ATOM 1727 CG GLU A 114 19.640 24.161 -3.864 1.00 0.31 C ATOM 1728 CD GLU A 114 18.400 25.051 -3.766 1.00 1.29 C ATOM 1729 OE1 GLU A 114 18.404 25.950 -2.941 1.00 2.32 O ATOM 1730 OE2 GLU A 114 17.467 24.818 -4.517 1.00 1.40 O ATOM 0 H GLU A 114 22.417 24.933 -3.128 1.00 0.24 H new ATOM 0 HA GLU A 114 21.613 22.861 -5.050 1.00 0.18 H new ATOM 0 HB2 GLU A 114 20.887 25.786 -4.563 1.00 0.26 H new ATOM 0 HB3 GLU A 114 20.180 24.830 -5.850 1.00 0.26 H new ATOM 0 HG2 GLU A 114 19.356 23.159 -4.184 1.00 0.31 H new ATOM 0 HG3 GLU A 114 20.107 24.062 -2.884 1.00 0.31 H new ATOM 1737 N LYS A 115 22.728 23.671 -7.215 1.00 0.22 N ATOM 1738 CA LYS A 115 23.599 24.063 -8.360 1.00 0.37 C ATOM 1739 C LYS A 115 23.002 25.262 -9.084 1.00 0.30 C ATOM 1740 O LYS A 115 23.067 25.380 -10.292 1.00 0.42 O ATOM 1741 CB LYS A 115 23.713 22.889 -9.327 1.00 0.50 C ATOM 1742 CG LYS A 115 24.698 21.836 -8.780 1.00 0.65 C ATOM 1743 CD LYS A 115 26.130 22.170 -9.224 1.00 2.64 C ATOM 1744 CE LYS A 115 27.115 21.261 -8.486 1.00 3.27 C ATOM 1745 NZ LYS A 115 27.243 21.712 -7.071 1.00 4.50 N ATOM 0 H LYS A 115 22.112 22.876 -7.387 1.00 0.22 H new ATOM 0 HA LYS A 115 24.587 24.332 -7.986 1.00 0.37 H new ATOM 0 HB2 LYS A 115 22.733 22.436 -9.477 1.00 0.50 H new ATOM 0 HB3 LYS A 115 24.053 23.243 -10.300 1.00 0.50 H new ATOM 0 HG2 LYS A 115 24.644 21.807 -7.692 1.00 0.65 H new ATOM 0 HG3 LYS A 115 24.420 20.845 -9.139 1.00 0.65 H new ATOM 0 HD2 LYS A 115 26.230 22.035 -10.301 1.00 2.64 H new ATOM 0 HD3 LYS A 115 26.354 23.216 -9.012 1.00 2.64 H new ATOM 0 HE2 LYS A 115 26.768 20.228 -8.520 1.00 3.27 H new ATOM 0 HE3 LYS A 115 28.088 21.287 -8.977 1.00 3.27 H new ATOM 0 HZ1 LYS A 115 28.118 21.327 -6.662 1.00 4.50 H new ATOM 0 HZ2 LYS A 115 27.274 22.751 -7.039 1.00 4.50 H new ATOM 0 HZ3 LYS A 115 26.426 21.373 -6.523 1.00 4.50 H new ATOM 1759 N LEU A 116 22.439 26.151 -8.346 1.00 0.23 N ATOM 1760 CA LEU A 116 21.838 27.371 -8.965 1.00 0.20 C ATOM 1761 C LEU A 116 22.952 28.375 -9.267 1.00 0.23 C ATOM 1762 O LEU A 116 23.749 28.707 -8.413 1.00 0.42 O ATOM 1763 CB LEU A 116 20.821 28.012 -8.008 1.00 0.22 C ATOM 1764 CG LEU A 116 19.602 27.087 -7.825 1.00 0.96 C ATOM 1765 CD1 LEU A 116 18.882 27.439 -6.520 1.00 1.53 C ATOM 1766 CD2 LEU A 116 18.619 27.259 -8.993 1.00 1.31 C ATOM 0 H LEU A 116 22.361 26.098 -7.330 1.00 0.23 H new ATOM 0 HA LEU A 116 21.325 27.090 -9.885 1.00 0.20 H new ATOM 0 HB2 LEU A 116 21.290 28.202 -7.043 1.00 0.22 H new ATOM 0 HB3 LEU A 116 20.499 28.976 -8.401 1.00 0.22 H new ATOM 0 HG LEU A 116 19.952 26.055 -7.796 1.00 0.96 H new ATOM 0 HD11 LEU A 116 18.020 26.784 -6.392 1.00 1.53 H new ATOM 0 HD12 LEU A 116 19.565 27.308 -5.681 1.00 1.53 H new ATOM 0 HD13 LEU A 116 18.548 28.476 -6.557 1.00 1.53 H new ATOM 0 HD21 LEU A 116 17.764 26.599 -8.849 1.00 1.31 H new ATOM 0 HD22 LEU A 116 18.277 28.293 -9.031 1.00 1.31 H new ATOM 0 HD23 LEU A 116 19.118 27.007 -9.929 1.00 1.31 H new ATOM 1778 N THR A 117 23.017 28.858 -10.478 1.00 0.10 N ATOM 1779 CA THR A 117 24.083 29.837 -10.834 1.00 0.09 C ATOM 1780 C THR A 117 23.668 31.236 -10.374 1.00 0.09 C ATOM 1781 O THR A 117 22.503 31.580 -10.381 1.00 0.08 O ATOM 1782 CB THR A 117 24.288 29.844 -12.350 1.00 0.11 C ATOM 1783 OG1 THR A 117 23.045 30.096 -12.992 1.00 0.18 O ATOM 1784 CG2 THR A 117 24.830 28.488 -12.804 1.00 0.07 C ATOM 0 H THR A 117 22.378 28.617 -11.236 1.00 0.10 H new ATOM 0 HA THR A 117 25.013 29.551 -10.342 1.00 0.09 H new ATOM 0 HB THR A 117 25.002 30.624 -12.615 1.00 0.11 H new ATOM 0 HG1 THR A 117 22.454 29.323 -12.875 1.00 0.18 H new ATOM 0 HG21 THR A 117 24.975 28.497 -13.884 1.00 0.07 H new ATOM 0 HG22 THR A 117 25.783 28.294 -12.312 1.00 0.07 H new ATOM 0 HG23 THR A 117 24.119 27.705 -12.540 1.00 0.07 H new ATOM 1792 N ASP A 118 24.611 32.046 -9.980 1.00 0.08 N ATOM 1793 CA ASP A 118 24.266 33.420 -9.523 1.00 0.07 C ATOM 1794 C ASP A 118 23.408 34.110 -10.584 1.00 0.09 C ATOM 1795 O ASP A 118 22.575 34.942 -10.277 1.00 0.19 O ATOM 1796 CB ASP A 118 25.549 34.222 -9.299 1.00 0.06 C ATOM 1797 CG ASP A 118 26.402 33.529 -8.235 1.00 0.10 C ATOM 1798 OD1 ASP A 118 26.025 32.449 -7.812 1.00 1.18 O ATOM 1799 OD2 ASP A 118 27.418 34.091 -7.860 1.00 1.15 O ATOM 0 H ASP A 118 25.604 31.816 -9.955 1.00 0.08 H new ATOM 0 HA ASP A 118 23.709 33.362 -8.588 1.00 0.07 H new ATOM 0 HB2 ASP A 118 26.107 34.304 -10.232 1.00 0.06 H new ATOM 0 HB3 ASP A 118 25.306 35.236 -8.982 1.00 0.06 H new ATOM 1804 N GLU A 119 23.602 33.775 -11.831 1.00 0.04 N ATOM 1805 CA GLU A 119 22.792 34.415 -12.905 1.00 0.05 C ATOM 1806 C GLU A 119 21.320 34.054 -12.710 1.00 0.12 C ATOM 1807 O GLU A 119 20.459 34.909 -12.693 1.00 0.18 O ATOM 1808 CB GLU A 119 23.260 33.910 -14.274 1.00 0.11 C ATOM 1809 CG GLU A 119 24.650 34.472 -14.581 1.00 0.16 C ATOM 1810 CD GLU A 119 25.682 33.801 -13.671 1.00 1.09 C ATOM 1811 OE1 GLU A 119 25.890 34.300 -12.578 1.00 2.13 O ATOM 1812 OE2 GLU A 119 26.247 32.802 -14.085 1.00 1.30 O ATOM 0 H GLU A 119 24.284 33.088 -12.151 1.00 0.04 H new ATOM 0 HA GLU A 119 22.916 35.497 -12.856 1.00 0.05 H new ATOM 0 HB2 GLU A 119 23.288 32.820 -14.281 1.00 0.11 H new ATOM 0 HB3 GLU A 119 22.554 34.216 -15.046 1.00 0.11 H new ATOM 0 HG2 GLU A 119 24.902 34.297 -15.627 1.00 0.16 H new ATOM 0 HG3 GLU A 119 24.660 35.551 -14.427 1.00 0.16 H new ATOM 1819 N GLU A 120 21.025 32.791 -12.558 1.00 0.12 N ATOM 1820 CA GLU A 120 19.606 32.384 -12.359 1.00 0.19 C ATOM 1821 C GLU A 120 19.026 33.166 -11.181 1.00 0.23 C ATOM 1822 O GLU A 120 17.904 33.625 -11.221 1.00 0.31 O ATOM 1823 CB GLU A 120 19.533 30.880 -12.069 1.00 0.19 C ATOM 1824 CG GLU A 120 19.717 30.098 -13.372 1.00 0.22 C ATOM 1825 CD GLU A 120 19.921 28.614 -13.055 1.00 0.18 C ATOM 1826 OE1 GLU A 120 20.974 28.278 -12.539 1.00 0.14 O ATOM 1827 OE2 GLU A 120 19.019 27.842 -13.333 1.00 0.39 O ATOM 0 H GLU A 120 21.702 32.028 -12.563 1.00 0.12 H new ATOM 0 HA GLU A 120 19.032 32.598 -13.261 1.00 0.19 H new ATOM 0 HB2 GLU A 120 20.305 30.599 -11.352 1.00 0.19 H new ATOM 0 HB3 GLU A 120 18.573 30.632 -11.617 1.00 0.19 H new ATOM 0 HG2 GLU A 120 18.844 30.227 -14.012 1.00 0.22 H new ATOM 0 HG3 GLU A 120 20.575 30.484 -13.922 1.00 0.22 H new ATOM 1834 N VAL A 121 19.787 33.331 -10.135 1.00 0.22 N ATOM 1835 CA VAL A 121 19.282 34.092 -8.959 1.00 0.29 C ATOM 1836 C VAL A 121 18.894 35.498 -9.405 1.00 0.21 C ATOM 1837 O VAL A 121 17.835 35.999 -9.080 1.00 0.22 O ATOM 1838 CB VAL A 121 20.376 34.177 -7.893 1.00 0.35 C ATOM 1839 CG1 VAL A 121 19.864 34.991 -6.704 1.00 0.31 C ATOM 1840 CG2 VAL A 121 20.741 32.767 -7.425 1.00 0.65 C ATOM 0 H VAL A 121 20.737 32.971 -10.044 1.00 0.22 H new ATOM 0 HA VAL A 121 18.413 33.585 -8.540 1.00 0.29 H new ATOM 0 HB VAL A 121 21.258 34.661 -8.313 1.00 0.35 H new ATOM 0 HG11 VAL A 121 20.642 35.053 -5.943 1.00 0.31 H new ATOM 0 HG12 VAL A 121 19.601 35.995 -7.037 1.00 0.31 H new ATOM 0 HG13 VAL A 121 18.983 34.506 -6.283 1.00 0.31 H new ATOM 0 HG21 VAL A 121 21.520 32.826 -6.665 1.00 0.65 H new ATOM 0 HG22 VAL A 121 19.859 32.284 -7.004 1.00 0.65 H new ATOM 0 HG23 VAL A 121 21.103 32.185 -8.272 1.00 0.65 H new ATOM 1850 N ASP A 122 19.745 36.130 -10.153 1.00 0.19 N ATOM 1851 CA ASP A 122 19.439 37.505 -10.638 1.00 0.18 C ATOM 1852 C ASP A 122 18.118 37.479 -11.407 1.00 0.19 C ATOM 1853 O ASP A 122 17.369 38.436 -11.409 1.00 0.25 O ATOM 1854 CB ASP A 122 20.560 37.982 -11.562 1.00 0.22 C ATOM 1855 CG ASP A 122 21.886 37.983 -10.797 1.00 0.20 C ATOM 1856 OD1 ASP A 122 21.869 37.648 -9.624 1.00 1.24 O ATOM 1857 OD2 ASP A 122 22.893 38.314 -11.399 1.00 0.81 O ATOM 0 H ASP A 122 20.645 35.755 -10.453 1.00 0.19 H new ATOM 0 HA ASP A 122 19.358 38.186 -9.791 1.00 0.18 H new ATOM 0 HB2 ASP A 122 20.631 37.330 -12.433 1.00 0.22 H new ATOM 0 HB3 ASP A 122 20.340 38.984 -11.931 1.00 0.22 H new ATOM 1862 N GLU A 123 17.819 36.383 -12.052 1.00 0.27 N ATOM 1863 CA GLU A 123 16.544 36.286 -12.807 1.00 0.40 C ATOM 1864 C GLU A 123 15.412 36.113 -11.787 1.00 0.43 C ATOM 1865 O GLU A 123 14.350 36.682 -11.914 1.00 0.54 O ATOM 1866 CB GLU A 123 16.642 35.089 -13.794 1.00 0.51 C ATOM 1867 CG GLU A 123 15.470 34.109 -13.630 1.00 1.45 C ATOM 1868 CD GLU A 123 15.564 33.021 -14.704 1.00 1.93 C ATOM 1869 OE1 GLU A 123 16.611 32.919 -15.324 1.00 2.16 O ATOM 1870 OE2 GLU A 123 14.590 32.312 -14.887 1.00 2.72 O ATOM 0 H GLU A 123 18.407 35.550 -12.086 1.00 0.27 H new ATOM 0 HA GLU A 123 16.343 37.181 -13.396 1.00 0.40 H new ATOM 0 HB2 GLU A 123 16.660 35.464 -14.817 1.00 0.51 H new ATOM 0 HB3 GLU A 123 17.581 34.561 -13.631 1.00 0.51 H new ATOM 0 HG2 GLU A 123 15.494 33.659 -12.638 1.00 1.45 H new ATOM 0 HG3 GLU A 123 14.522 34.640 -13.717 1.00 1.45 H new ATOM 1877 N MET A 124 15.643 35.330 -10.774 1.00 0.38 N ATOM 1878 CA MET A 124 14.600 35.117 -9.734 1.00 0.39 C ATOM 1879 C MET A 124 14.418 36.404 -8.909 1.00 0.40 C ATOM 1880 O MET A 124 13.397 36.615 -8.287 1.00 0.53 O ATOM 1881 CB MET A 124 15.019 33.950 -8.853 1.00 0.39 C ATOM 1882 CG MET A 124 15.081 32.681 -9.705 1.00 0.38 C ATOM 1883 SD MET A 124 15.360 31.249 -8.631 1.00 0.49 S ATOM 1884 CE MET A 124 15.505 30.011 -9.944 1.00 0.66 C ATOM 0 H MET A 124 16.515 34.824 -10.620 1.00 0.38 H new ATOM 0 HA MET A 124 13.643 34.881 -10.198 1.00 0.39 H new ATOM 0 HB2 MET A 124 15.991 34.149 -8.402 1.00 0.39 H new ATOM 0 HB3 MET A 124 14.309 33.821 -8.036 1.00 0.39 H new ATOM 0 HG2 MET A 124 14.152 32.557 -10.261 1.00 0.38 H new ATOM 0 HG3 MET A 124 15.883 32.761 -10.439 1.00 0.38 H new ATOM 0 HE1 MET A 124 15.683 29.031 -9.502 1.00 0.66 H new ATOM 0 HE2 MET A 124 14.582 29.985 -10.523 1.00 0.66 H new ATOM 0 HE3 MET A 124 16.337 30.271 -10.599 1.00 0.66 H new ATOM 1894 N ILE A 125 15.398 37.271 -8.915 1.00 0.31 N ATOM 1895 CA ILE A 125 15.285 38.556 -8.149 1.00 0.36 C ATOM 1896 C ILE A 125 14.451 39.586 -8.939 1.00 0.47 C ATOM 1897 O ILE A 125 13.789 40.423 -8.360 1.00 0.61 O ATOM 1898 CB ILE A 125 16.707 39.095 -7.893 1.00 0.31 C ATOM 1899 CG1 ILE A 125 17.348 38.284 -6.750 1.00 0.22 C ATOM 1900 CG2 ILE A 125 16.651 40.583 -7.515 1.00 0.38 C ATOM 1901 CD1 ILE A 125 18.810 38.692 -6.555 1.00 0.22 C ATOM 0 H ILE A 125 16.276 37.147 -9.418 1.00 0.31 H new ATOM 0 HA ILE A 125 14.779 38.378 -7.200 1.00 0.36 H new ATOM 0 HB ILE A 125 17.305 38.993 -8.799 1.00 0.31 H new ATOM 0 HG12 ILE A 125 16.793 38.446 -5.826 1.00 0.22 H new ATOM 0 HG13 ILE A 125 17.289 37.219 -6.975 1.00 0.22 H new ATOM 0 HG21 ILE A 125 17.661 40.951 -7.337 1.00 0.38 H new ATOM 0 HG22 ILE A 125 16.197 41.148 -8.329 1.00 0.38 H new ATOM 0 HG23 ILE A 125 16.055 40.707 -6.611 1.00 0.38 H new ATOM 0 HD11 ILE A 125 19.245 38.109 -5.744 1.00 0.22 H new ATOM 0 HD12 ILE A 125 19.365 38.506 -7.474 1.00 0.22 H new ATOM 0 HD13 ILE A 125 18.862 39.752 -6.308 1.00 0.22 H new ATOM 1913 N ARG A 126 14.494 39.555 -10.244 1.00 0.40 N ATOM 1914 CA ARG A 126 13.724 40.562 -11.041 1.00 0.49 C ATOM 1915 C ARG A 126 12.226 40.536 -10.677 1.00 0.55 C ATOM 1916 O ARG A 126 11.626 41.572 -10.471 1.00 0.58 O ATOM 1917 CB ARG A 126 13.939 40.318 -12.546 1.00 0.46 C ATOM 1918 CG ARG A 126 12.985 39.245 -13.068 1.00 3.04 C ATOM 1919 CD ARG A 126 13.491 38.703 -14.420 1.00 3.38 C ATOM 1920 NE ARG A 126 12.327 38.309 -15.279 1.00 5.15 N ATOM 1921 CZ ARG A 126 11.386 37.523 -14.831 1.00 7.09 C ATOM 1922 NH1 ARG A 126 11.515 36.926 -13.677 1.00 7.57 N ATOM 1923 NH2 ARG A 126 10.329 37.294 -15.563 1.00 8.70 N ATOM 0 H ARG A 126 15.026 38.880 -10.794 1.00 0.40 H new ATOM 0 HA ARG A 126 14.097 41.557 -10.796 1.00 0.49 H new ATOM 0 HB2 ARG A 126 13.783 41.247 -13.095 1.00 0.46 H new ATOM 0 HB3 ARG A 126 14.970 40.012 -12.725 1.00 0.46 H new ATOM 0 HG2 ARG A 126 12.909 38.432 -12.346 1.00 3.04 H new ATOM 0 HG3 ARG A 126 11.985 39.662 -13.185 1.00 3.04 H new ATOM 0 HD2 ARG A 126 14.087 39.462 -14.926 1.00 3.38 H new ATOM 0 HD3 ARG A 126 14.141 37.844 -14.257 1.00 3.38 H new ATOM 0 HE ARG A 126 12.269 38.663 -16.234 1.00 5.15 H new ATOM 0 HH11 ARG A 126 12.356 37.072 -13.118 1.00 7.57 H new ATOM 0 HH12 ARG A 126 10.775 36.313 -13.334 1.00 7.57 H new ATOM 0 HH21 ARG A 126 10.241 37.729 -16.481 1.00 8.70 H new ATOM 0 HH22 ARG A 126 9.592 36.680 -15.216 1.00 8.70 H new ATOM 1937 N GLU A 127 11.607 39.384 -10.604 1.00 0.58 N ATOM 1938 CA GLU A 127 10.148 39.355 -10.262 1.00 0.64 C ATOM 1939 C GLU A 127 9.952 39.517 -8.740 1.00 0.56 C ATOM 1940 O GLU A 127 8.906 39.940 -8.286 1.00 0.56 O ATOM 1941 CB GLU A 127 9.522 38.027 -10.742 1.00 0.74 C ATOM 1942 CG GLU A 127 9.117 38.140 -12.217 1.00 0.89 C ATOM 1943 CD GLU A 127 8.736 36.755 -12.747 1.00 1.42 C ATOM 1944 OE1 GLU A 127 8.894 35.796 -12.009 1.00 2.70 O ATOM 1945 OE2 GLU A 127 8.293 36.679 -13.881 1.00 1.42 O ATOM 0 H GLU A 127 12.039 38.474 -10.763 1.00 0.58 H new ATOM 0 HA GLU A 127 9.651 40.184 -10.766 1.00 0.64 H new ATOM 0 HB2 GLU A 127 10.235 37.212 -10.614 1.00 0.74 H new ATOM 0 HB3 GLU A 127 8.650 37.786 -10.134 1.00 0.74 H new ATOM 0 HG2 GLU A 127 8.277 38.826 -12.323 1.00 0.89 H new ATOM 0 HG3 GLU A 127 9.940 38.551 -12.801 1.00 0.89 H new ATOM 1952 N ALA A 128 10.953 39.221 -7.947 1.00 0.51 N ATOM 1953 CA ALA A 128 10.838 39.393 -6.483 1.00 0.44 C ATOM 1954 C ALA A 128 11.314 40.789 -6.152 1.00 0.38 C ATOM 1955 O ALA A 128 12.421 40.962 -5.702 1.00 0.35 O ATOM 1956 CB ALA A 128 11.729 38.400 -5.748 1.00 0.42 C ATOM 0 H ALA A 128 11.853 38.863 -8.266 1.00 0.51 H new ATOM 0 HA ALA A 128 9.805 39.229 -6.178 1.00 0.44 H new ATOM 0 HB1 ALA A 128 11.627 38.546 -4.673 1.00 0.42 H new ATOM 0 HB2 ALA A 128 11.431 37.384 -6.006 1.00 0.42 H new ATOM 0 HB3 ALA A 128 12.767 38.558 -6.039 1.00 0.42 H new ATOM 1962 N ASP A 129 10.496 41.765 -6.399 1.00 0.37 N ATOM 1963 CA ASP A 129 10.871 43.192 -6.132 1.00 0.32 C ATOM 1964 C ASP A 129 11.660 43.270 -4.822 1.00 0.28 C ATOM 1965 O ASP A 129 11.132 43.517 -3.756 1.00 0.26 O ATOM 1966 CB ASP A 129 9.593 44.025 -6.028 1.00 0.32 C ATOM 1967 CG ASP A 129 8.593 43.558 -7.088 1.00 0.96 C ATOM 1968 OD1 ASP A 129 7.955 42.541 -6.865 1.00 1.76 O ATOM 1969 OD2 ASP A 129 8.484 44.225 -8.104 1.00 1.51 O ATOM 0 H ASP A 129 9.560 41.640 -6.784 1.00 0.37 H new ATOM 0 HA ASP A 129 11.491 43.578 -6.941 1.00 0.32 H new ATOM 0 HB2 ASP A 129 9.159 43.923 -5.033 1.00 0.32 H new ATOM 0 HB3 ASP A 129 9.822 45.081 -6.169 1.00 0.32 H new ATOM 1974 N ILE A 130 12.922 42.985 -4.926 1.00 0.29 N ATOM 1975 CA ILE A 130 13.824 42.935 -3.746 1.00 0.27 C ATOM 1976 C ILE A 130 14.279 44.332 -3.325 1.00 0.29 C ATOM 1977 O ILE A 130 15.050 44.512 -2.401 1.00 0.41 O ATOM 1978 CB ILE A 130 15.016 42.051 -4.177 1.00 0.20 C ATOM 1979 CG1 ILE A 130 14.649 40.522 -4.052 1.00 0.25 C ATOM 1980 CG2 ILE A 130 16.282 42.423 -3.404 1.00 0.14 C ATOM 1981 CD1 ILE A 130 15.738 39.719 -3.311 1.00 0.22 C ATOM 0 H ILE A 130 13.383 42.777 -5.812 1.00 0.29 H new ATOM 0 HA ILE A 130 13.318 42.524 -2.873 1.00 0.27 H new ATOM 0 HB ILE A 130 15.231 42.239 -5.229 1.00 0.20 H new ATOM 0 HG12 ILE A 130 13.702 40.420 -3.523 1.00 0.25 H new ATOM 0 HG13 ILE A 130 14.505 40.102 -5.048 1.00 0.25 H new ATOM 0 HG21 ILE A 130 17.106 41.786 -3.726 1.00 0.14 H new ATOM 0 HG22 ILE A 130 16.533 43.466 -3.597 1.00 0.14 H new ATOM 0 HG23 ILE A 130 16.111 42.283 -2.337 1.00 0.14 H new ATOM 0 HD11 ILE A 130 15.440 38.672 -3.250 1.00 0.22 H new ATOM 0 HD12 ILE A 130 16.680 39.797 -3.854 1.00 0.22 H new ATOM 0 HD13 ILE A 130 15.864 40.119 -2.305 1.00 0.22 H new ATOM 2024 N GLY A 134 13.958 46.466 1.247 1.00 0.19 N ATOM 2025 CA GLY A 134 15.330 46.029 1.653 1.00 0.35 C ATOM 2026 C GLY A 134 15.283 44.586 2.156 1.00 0.34 C ATOM 2027 O GLY A 134 16.188 43.810 1.923 1.00 0.33 O ATOM 0 HA2 GLY A 134 16.012 46.107 0.807 1.00 0.35 H new ATOM 0 HA3 GLY A 134 15.715 46.684 2.434 1.00 0.35 H new ATOM 2031 N GLN A 135 14.223 44.214 2.827 1.00 0.43 N ATOM 2032 CA GLN A 135 14.081 42.813 3.338 1.00 0.45 C ATOM 2033 C GLN A 135 12.970 42.132 2.533 1.00 0.45 C ATOM 2034 O GLN A 135 12.026 42.774 2.118 1.00 0.49 O ATOM 2035 CB GLN A 135 13.694 42.844 4.822 1.00 0.46 C ATOM 2036 CG GLN A 135 14.662 43.749 5.600 1.00 0.72 C ATOM 2037 CD GLN A 135 14.651 43.371 7.084 1.00 0.81 C ATOM 2038 OE1 GLN A 135 14.216 44.145 7.917 1.00 1.44 O ATOM 2039 NE2 GLN A 135 15.111 42.209 7.453 1.00 2.18 N ATOM 0 H GLN A 135 13.439 44.828 3.046 1.00 0.43 H new ATOM 0 HA GLN A 135 15.020 42.270 3.231 1.00 0.45 H new ATOM 0 HB2 GLN A 135 12.673 43.210 4.932 1.00 0.46 H new ATOM 0 HB3 GLN A 135 13.717 41.835 5.233 1.00 0.46 H new ATOM 0 HG2 GLN A 135 15.670 43.649 5.198 1.00 0.72 H new ATOM 0 HG3 GLN A 135 14.373 44.793 5.480 1.00 0.72 H new ATOM 0 HE21 GLN A 135 15.476 41.560 6.756 1.00 2.18 H new ATOM 0 HE22 GLN A 135 15.106 41.948 8.439 1.00 2.18 H new ATOM 2048 N VAL A 136 13.077 40.849 2.284 1.00 0.44 N ATOM 2049 CA VAL A 136 12.027 40.147 1.476 1.00 0.43 C ATOM 2050 C VAL A 136 11.683 38.806 2.131 1.00 0.45 C ATOM 2051 O VAL A 136 12.523 38.160 2.725 1.00 0.46 O ATOM 2052 CB VAL A 136 12.596 39.880 0.072 1.00 0.37 C ATOM 2053 CG1 VAL A 136 11.479 39.765 -0.974 1.00 0.36 C ATOM 2054 CG2 VAL A 136 13.538 41.015 -0.331 1.00 0.36 C ATOM 0 H VAL A 136 13.844 40.258 2.604 1.00 0.44 H new ATOM 0 HA VAL A 136 11.130 40.763 1.419 1.00 0.43 H new ATOM 0 HB VAL A 136 13.137 38.935 0.108 1.00 0.37 H new ATOM 0 HG11 VAL A 136 11.917 39.576 -1.954 1.00 0.36 H new ATOM 0 HG12 VAL A 136 10.815 38.942 -0.709 1.00 0.36 H new ATOM 0 HG13 VAL A 136 10.911 40.695 -1.003 1.00 0.36 H new ATOM 0 HG21 VAL A 136 13.938 40.820 -1.326 1.00 0.36 H new ATOM 0 HG22 VAL A 136 12.990 41.957 -0.338 1.00 0.36 H new ATOM 0 HG23 VAL A 136 14.359 41.078 0.384 1.00 0.36 H new ATOM 2064 N ASN A 137 10.465 38.371 1.995 1.00 0.46 N ATOM 2065 CA ASN A 137 10.066 37.074 2.558 1.00 0.46 C ATOM 2066 C ASN A 137 10.548 35.985 1.601 1.00 0.43 C ATOM 2067 O ASN A 137 10.918 36.267 0.477 1.00 0.68 O ATOM 2068 CB ASN A 137 8.549 37.057 2.666 1.00 0.45 C ATOM 2069 CG ASN A 137 7.936 37.757 1.454 1.00 1.39 C ATOM 2070 OD1 ASN A 137 7.726 38.955 1.471 1.00 2.75 O ATOM 2071 ND2 ASN A 137 7.640 37.060 0.390 1.00 2.02 N ATOM 0 H ASN A 137 9.723 38.874 1.508 1.00 0.46 H new ATOM 0 HA ASN A 137 10.497 36.907 3.545 1.00 0.46 H new ATOM 0 HB2 ASN A 137 8.191 36.029 2.723 1.00 0.45 H new ATOM 0 HB3 ASN A 137 8.235 37.556 3.583 1.00 0.45 H new ATOM 0 HD21 ASN A 137 7.234 37.520 -0.424 1.00 2.02 H new ATOM 0 HD22 ASN A 137 7.815 36.055 0.373 1.00 2.02 H new ATOM 2078 N TYR A 138 10.580 34.753 2.036 1.00 0.38 N ATOM 2079 CA TYR A 138 11.081 33.650 1.146 1.00 0.34 C ATOM 2080 C TYR A 138 9.933 32.822 0.526 1.00 0.32 C ATOM 2081 O TYR A 138 10.104 32.263 -0.535 1.00 0.24 O ATOM 2082 CB TYR A 138 12.019 32.734 1.962 1.00 0.34 C ATOM 2083 CG TYR A 138 11.591 32.704 3.409 1.00 0.33 C ATOM 2084 CD1 TYR A 138 11.985 33.729 4.281 1.00 1.60 C ATOM 2085 CD2 TYR A 138 10.814 31.642 3.886 1.00 1.43 C ATOM 2086 CE1 TYR A 138 11.592 33.692 5.623 1.00 1.82 C ATOM 2087 CE2 TYR A 138 10.426 31.603 5.226 1.00 1.26 C ATOM 2088 CZ TYR A 138 10.810 32.629 6.096 1.00 0.65 C ATOM 2089 OH TYR A 138 10.429 32.587 7.421 1.00 0.86 O ATOM 0 H TYR A 138 10.283 34.458 2.966 1.00 0.38 H new ATOM 0 HA TYR A 138 11.622 34.106 0.317 1.00 0.34 H new ATOM 0 HB2 TYR A 138 12.003 31.725 1.550 1.00 0.34 H new ATOM 0 HB3 TYR A 138 13.045 33.093 1.886 1.00 0.34 H new ATOM 0 HD1 TYR A 138 12.591 34.546 3.917 1.00 1.60 H new ATOM 0 HD2 TYR A 138 10.514 30.851 3.215 1.00 1.43 H new ATOM 0 HE1 TYR A 138 11.891 34.483 6.295 1.00 1.82 H new ATOM 0 HE2 TYR A 138 9.829 30.780 5.591 1.00 1.26 H new ATOM 0 HH TYR A 138 9.890 31.784 7.581 1.00 0.86 H new ATOM 2099 N GLU A 139 8.783 32.719 1.162 1.00 0.38 N ATOM 2100 CA GLU A 139 7.668 31.900 0.582 1.00 0.36 C ATOM 2101 C GLU A 139 7.577 32.090 -0.940 1.00 0.34 C ATOM 2102 O GLU A 139 7.408 31.139 -1.676 1.00 0.34 O ATOM 2103 CB GLU A 139 6.338 32.302 1.237 1.00 0.37 C ATOM 2104 CG GLU A 139 6.242 31.678 2.633 1.00 1.58 C ATOM 2105 CD GLU A 139 7.375 32.213 3.512 1.00 3.01 C ATOM 2106 OE1 GLU A 139 7.561 33.419 3.538 1.00 3.81 O ATOM 2107 OE2 GLU A 139 8.034 31.407 4.149 1.00 4.00 O ATOM 0 H GLU A 139 8.572 33.166 2.054 1.00 0.38 H new ATOM 0 HA GLU A 139 7.873 30.848 0.782 1.00 0.36 H new ATOM 0 HB2 GLU A 139 6.270 33.388 1.308 1.00 0.37 H new ATOM 0 HB3 GLU A 139 5.503 31.969 0.621 1.00 0.37 H new ATOM 0 HG2 GLU A 139 5.277 31.913 3.082 1.00 1.58 H new ATOM 0 HG3 GLU A 139 6.304 30.592 2.562 1.00 1.58 H new ATOM 2114 N GLU A 140 7.692 33.296 -1.423 1.00 0.34 N ATOM 2115 CA GLU A 140 7.616 33.499 -2.897 1.00 0.33 C ATOM 2116 C GLU A 140 8.893 32.953 -3.544 1.00 0.31 C ATOM 2117 O GLU A 140 8.858 32.312 -4.576 1.00 0.32 O ATOM 2118 CB GLU A 140 7.486 34.991 -3.206 1.00 0.34 C ATOM 2119 CG GLU A 140 6.220 35.543 -2.548 1.00 1.18 C ATOM 2120 CD GLU A 140 6.180 37.064 -2.714 1.00 1.62 C ATOM 2121 OE1 GLU A 140 6.853 37.560 -3.603 1.00 1.69 O ATOM 2122 OE2 GLU A 140 5.478 37.707 -1.953 1.00 2.54 O ATOM 0 H GLU A 140 7.834 34.141 -0.869 1.00 0.34 H new ATOM 0 HA GLU A 140 6.747 32.974 -3.294 1.00 0.33 H new ATOM 0 HB2 GLU A 140 8.362 35.526 -2.839 1.00 0.34 H new ATOM 0 HB3 GLU A 140 7.445 35.147 -4.284 1.00 0.34 H new ATOM 0 HG2 GLU A 140 5.336 35.094 -3.001 1.00 1.18 H new ATOM 0 HG3 GLU A 140 6.204 35.281 -1.490 1.00 1.18 H new ATOM 2129 N PHE A 141 10.022 33.207 -2.939 1.00 0.28 N ATOM 2130 CA PHE A 141 11.310 32.714 -3.509 1.00 0.26 C ATOM 2131 C PHE A 141 11.389 31.183 -3.364 1.00 0.27 C ATOM 2132 O PHE A 141 12.148 30.531 -4.056 1.00 0.29 O ATOM 2133 CB PHE A 141 12.495 33.386 -2.759 1.00 0.25 C ATOM 2134 CG PHE A 141 13.268 34.300 -3.686 1.00 0.25 C ATOM 2135 CD1 PHE A 141 14.106 33.749 -4.658 1.00 0.28 C ATOM 2136 CD2 PHE A 141 13.153 35.692 -3.569 1.00 0.27 C ATOM 2137 CE1 PHE A 141 14.826 34.588 -5.511 1.00 0.27 C ATOM 2138 CE2 PHE A 141 13.882 36.527 -4.432 1.00 0.27 C ATOM 2139 CZ PHE A 141 14.711 35.969 -5.394 1.00 0.25 C ATOM 0 H PHE A 141 10.108 33.737 -2.072 1.00 0.28 H new ATOM 0 HA PHE A 141 11.365 32.970 -4.567 1.00 0.26 H new ATOM 0 HB2 PHE A 141 12.118 33.956 -1.910 1.00 0.25 H new ATOM 0 HB3 PHE A 141 13.159 32.620 -2.359 1.00 0.25 H new ATOM 0 HD1 PHE A 141 14.197 32.677 -4.750 1.00 0.28 H new ATOM 0 HD2 PHE A 141 12.506 36.121 -2.818 1.00 0.27 H new ATOM 0 HE1 PHE A 141 15.474 34.163 -6.264 1.00 0.27 H new ATOM 0 HE2 PHE A 141 13.797 37.600 -4.347 1.00 0.27 H new ATOM 0 HZ PHE A 141 15.271 36.612 -6.057 1.00 0.25 H new ATOM 2149 N VAL A 142 10.629 30.603 -2.471 1.00 0.27 N ATOM 2150 CA VAL A 142 10.698 29.121 -2.301 1.00 0.27 C ATOM 2151 C VAL A 142 10.017 28.429 -3.488 1.00 0.31 C ATOM 2152 O VAL A 142 10.580 27.557 -4.120 1.00 0.23 O ATOM 2153 CB VAL A 142 9.977 28.710 -1.012 1.00 0.28 C ATOM 2154 CG1 VAL A 142 9.991 27.176 -0.893 1.00 0.29 C ATOM 2155 CG2 VAL A 142 10.672 29.351 0.216 1.00 0.22 C ATOM 0 H VAL A 142 9.971 31.085 -1.859 1.00 0.27 H new ATOM 0 HA VAL A 142 11.745 28.823 -2.250 1.00 0.27 H new ATOM 0 HB VAL A 142 8.945 29.061 -1.044 1.00 0.28 H new ATOM 0 HG11 VAL A 142 9.480 26.877 0.022 1.00 0.29 H new ATOM 0 HG12 VAL A 142 9.482 26.740 -1.752 1.00 0.29 H new ATOM 0 HG13 VAL A 142 11.022 26.823 -0.864 1.00 0.29 H new ATOM 0 HG21 VAL A 142 10.151 29.052 1.126 1.00 0.22 H new ATOM 0 HG22 VAL A 142 11.708 29.016 0.264 1.00 0.22 H new ATOM 0 HG23 VAL A 142 10.646 30.437 0.123 1.00 0.22 H new ATOM 2165 N GLN A 143 8.801 28.802 -3.781 1.00 0.45 N ATOM 2166 CA GLN A 143 8.066 28.162 -4.909 1.00 0.51 C ATOM 2167 C GLN A 143 8.753 28.486 -6.239 1.00 0.49 C ATOM 2168 O GLN A 143 8.578 27.794 -7.220 1.00 0.51 O ATOM 2169 CB GLN A 143 6.631 28.689 -4.942 1.00 0.64 C ATOM 2170 CG GLN A 143 5.910 28.297 -3.651 1.00 0.66 C ATOM 2171 CD GLN A 143 4.489 28.865 -3.666 1.00 0.72 C ATOM 2172 OE1 GLN A 143 4.273 30.004 -3.305 1.00 1.75 O ATOM 2173 NE2 GLN A 143 3.505 28.114 -4.077 1.00 1.24 N ATOM 0 H GLN A 143 8.282 29.527 -3.285 1.00 0.45 H new ATOM 0 HA GLN A 143 8.063 27.082 -4.763 1.00 0.51 H new ATOM 0 HB2 GLN A 143 6.634 29.773 -5.054 1.00 0.64 H new ATOM 0 HB3 GLN A 143 6.103 28.281 -5.804 1.00 0.64 H new ATOM 0 HG2 GLN A 143 5.878 27.212 -3.555 1.00 0.66 H new ATOM 0 HG3 GLN A 143 6.456 28.677 -2.787 1.00 0.66 H new ATOM 0 HE21 GLN A 143 3.686 27.157 -4.380 1.00 1.24 H new ATOM 0 HE22 GLN A 143 2.554 28.484 -4.095 1.00 1.24 H new ATOM 2182 N MET A 144 9.524 29.534 -6.283 1.00 0.49 N ATOM 2183 CA MET A 144 10.208 29.895 -7.559 1.00 0.51 C ATOM 2184 C MET A 144 11.386 28.947 -7.805 1.00 0.43 C ATOM 2185 O MET A 144 11.633 28.533 -8.920 1.00 0.46 O ATOM 2186 CB MET A 144 10.706 31.346 -7.483 1.00 0.55 C ATOM 2187 CG MET A 144 9.559 32.310 -7.805 1.00 0.69 C ATOM 2188 SD MET A 144 9.991 33.972 -7.235 1.00 0.88 S ATOM 2189 CE MET A 144 11.106 34.397 -8.596 1.00 1.62 C ATOM 0 H MET A 144 9.711 30.155 -5.496 1.00 0.49 H new ATOM 0 HA MET A 144 9.503 29.802 -8.385 1.00 0.51 H new ATOM 0 HB2 MET A 144 11.098 31.553 -6.487 1.00 0.55 H new ATOM 0 HB3 MET A 144 11.526 31.495 -8.186 1.00 0.55 H new ATOM 0 HG2 MET A 144 9.368 32.320 -8.878 1.00 0.69 H new ATOM 0 HG3 MET A 144 8.641 31.975 -7.321 1.00 0.69 H new ATOM 0 HE1 MET A 144 10.842 35.379 -8.990 1.00 1.62 H new ATOM 0 HE2 MET A 144 12.133 34.416 -8.232 1.00 1.62 H new ATOM 0 HE3 MET A 144 11.015 33.652 -9.387 1.00 1.62 H new ATOM 2199 N MET A 145 12.111 28.595 -6.782 1.00 0.34 N ATOM 2200 CA MET A 145 13.265 27.672 -6.980 1.00 0.29 C ATOM 2201 C MET A 145 12.742 26.295 -7.393 1.00 0.28 C ATOM 2202 O MET A 145 13.439 25.516 -8.013 1.00 0.30 O ATOM 2203 CB MET A 145 14.069 27.548 -5.673 1.00 0.22 C ATOM 2204 CG MET A 145 14.759 28.890 -5.322 1.00 0.25 C ATOM 2205 SD MET A 145 16.478 28.590 -4.821 1.00 0.22 S ATOM 2206 CE MET A 145 16.146 27.824 -3.213 1.00 0.24 C ATOM 0 H MET A 145 11.957 28.903 -5.822 1.00 0.34 H new ATOM 0 HA MET A 145 13.915 28.068 -7.760 1.00 0.29 H new ATOM 0 HB2 MET A 145 13.406 27.251 -4.860 1.00 0.22 H new ATOM 0 HB3 MET A 145 14.819 26.764 -5.775 1.00 0.22 H new ATOM 0 HG2 MET A 145 14.734 29.558 -6.183 1.00 0.25 H new ATOM 0 HG3 MET A 145 14.218 29.387 -4.517 1.00 0.25 H new ATOM 0 HE1 MET A 145 16.952 28.067 -2.521 1.00 0.24 H new ATOM 0 HE2 MET A 145 15.202 28.201 -2.818 1.00 0.24 H new ATOM 0 HE3 MET A 145 16.084 26.742 -3.331 1.00 0.24 H new ATOM 2216 N THR A 146 11.516 25.984 -7.054 1.00 0.29 N ATOM 2217 CA THR A 146 10.936 24.678 -7.411 1.00 0.29 C ATOM 2218 C THR A 146 10.167 24.824 -8.719 1.00 0.68 C ATOM 2219 O THR A 146 9.270 24.066 -9.028 1.00 1.84 O ATOM 2220 CB THR A 146 10.004 24.291 -6.269 1.00 0.53 C ATOM 2221 OG1 THR A 146 9.496 25.473 -5.666 1.00 0.60 O ATOM 2222 CG2 THR A 146 10.786 23.495 -5.235 1.00 0.68 C ATOM 0 H THR A 146 10.890 26.600 -6.535 1.00 0.29 H new ATOM 0 HA THR A 146 11.697 23.910 -7.552 1.00 0.29 H new ATOM 0 HB THR A 146 9.180 23.687 -6.650 1.00 0.53 H new ATOM 0 HG1 THR A 146 9.182 25.269 -4.760 1.00 0.60 H new ATOM 0 HG21 THR A 146 10.125 23.215 -4.415 1.00 0.68 H new ATOM 0 HG22 THR A 146 11.191 22.595 -5.698 1.00 0.68 H new ATOM 0 HG23 THR A 146 11.604 24.104 -4.850 1.00 0.68 H new