USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=22 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 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 11:sc= 0.51 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0389 USER MOD Single : A 30 LYS NZ :NH3+ 160:sc= -0.018 (180deg=-0.324) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0954 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -67:sc= 1.22 USER MOD Single : A 41 GLN : amide:sc= -0.297 K(o=-0.3,f=-1.2) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.44 USER MOD Single : A 49 GLN : amide:sc= -0.131 K(o=-0.13,f=-2.2!) 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 -166:sc=-0.00731 (180deg=-0.592) USER MOD Single : A 72 MET CE :methyl -156:sc= -1.37 (180deg=-2.13!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -72:sc= 0.41 USER MOD Single : A 107 HIS : no HD1:sc= -0.0174 X(o=-0.017,f=-0.18) USER MOD Single : A 109 MET CE :methyl -174:sc= -2.62 (180deg=-2.69) USER MOD Single : A 110 THR OG1 : rot -50:sc= -1.15! USER MOD Single : A 111 ASN : amide:sc= -2.71! C(o=-2.7!,f=-4.2!) USER MOD Single : A 115 LYS NZ :NH3+ -102:sc= -3.66! (180deg=-6.14!) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0342 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.0262 X(o=-0.026,f=-0.48) USER MOD Single : A 137 ASN : amide:sc= -2.99! C(o=-3!,f=-9.9!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.295 X(o=-0.3,f=-0.058) USER MOD Single : A 144 MET CE :methyl 169:sc= -0.923 (180deg=-1.34) USER MOD Single : A 145 MET CE :methyl -148:sc= -2.84! (180deg=-7.29!) USER MOD Single : A 146 THR OG1 : rot 42:sc= -0.582! USER MOD ----------------------------------------------------------------- ATOM 105 N GLN A 8 13.787 2.084 -3.424 1.00 0.22 N ATOM 106 CA GLN A 8 12.446 2.406 -2.863 1.00 0.25 C ATOM 107 C GLN A 8 11.434 1.378 -3.368 1.00 0.22 C ATOM 108 O GLN A 8 10.520 0.995 -2.663 1.00 0.26 O ATOM 109 CB GLN A 8 12.028 3.811 -3.305 1.00 0.29 C ATOM 110 CG GLN A 8 12.963 4.844 -2.672 1.00 0.35 C ATOM 111 CD GLN A 8 12.561 6.247 -3.128 1.00 0.38 C ATOM 112 OE1 GLN A 8 12.913 6.672 -4.211 1.00 0.50 O ATOM 113 NE2 GLN A 8 11.834 6.992 -2.342 1.00 1.26 N ATOM 0 HA GLN A 8 12.484 2.375 -1.774 1.00 0.25 H new ATOM 0 HB2 GLN A 8 12.066 3.888 -4.392 1.00 0.29 H new ATOM 0 HB3 GLN A 8 10.998 4.006 -3.007 1.00 0.29 H new ATOM 0 HG2 GLN A 8 12.914 4.776 -1.585 1.00 0.35 H new ATOM 0 HG3 GLN A 8 13.995 4.639 -2.958 1.00 0.35 H new ATOM 0 HE21 GLN A 8 11.538 6.637 -1.433 1.00 1.26 H new ATOM 0 HE22 GLN A 8 11.562 7.930 -2.636 1.00 1.26 H new ATOM 122 N ILE A 9 11.589 0.920 -4.580 1.00 0.18 N ATOM 123 CA ILE A 9 10.636 -0.092 -5.117 1.00 0.19 C ATOM 124 C ILE A 9 10.905 -1.443 -4.451 1.00 0.20 C ATOM 125 O ILE A 9 9.995 -2.198 -4.169 1.00 0.23 O ATOM 126 CB ILE A 9 10.820 -0.224 -6.630 1.00 0.18 C ATOM 127 CG1 ILE A 9 10.478 1.109 -7.300 1.00 0.15 C ATOM 128 CG2 ILE A 9 9.890 -1.319 -7.156 1.00 0.19 C ATOM 129 CD1 ILE A 9 10.862 1.061 -8.782 1.00 0.14 C ATOM 0 H ILE A 9 12.332 1.202 -5.220 1.00 0.18 H new ATOM 0 HA ILE A 9 9.615 0.225 -4.906 1.00 0.19 H new ATOM 0 HB ILE A 9 11.854 -0.486 -6.855 1.00 0.18 H new ATOM 0 HG12 ILE A 9 9.412 1.314 -7.198 1.00 0.15 H new ATOM 0 HG13 ILE A 9 11.008 1.922 -6.804 1.00 0.15 H new ATOM 0 HG21 ILE A 9 10.017 -1.417 -8.234 1.00 0.19 H new ATOM 0 HG22 ILE A 9 10.134 -2.266 -6.674 1.00 0.19 H new ATOM 0 HG23 ILE A 9 8.856 -1.055 -6.935 1.00 0.19 H new ATOM 0 HD11 ILE A 9 10.616 2.013 -9.253 1.00 0.14 H new ATOM 0 HD12 ILE A 9 11.932 0.876 -8.875 1.00 0.14 H new ATOM 0 HD13 ILE A 9 10.312 0.260 -9.275 1.00 0.14 H new ATOM 141 N ALA A 10 12.147 -1.759 -4.203 1.00 0.22 N ATOM 142 CA ALA A 10 12.473 -3.061 -3.564 1.00 0.26 C ATOM 143 C ALA A 10 12.068 -3.040 -2.091 1.00 0.29 C ATOM 144 O ALA A 10 11.809 -4.065 -1.503 1.00 0.51 O ATOM 145 CB ALA A 10 13.976 -3.320 -3.677 1.00 0.28 C ATOM 0 H ALA A 10 12.951 -1.168 -4.417 1.00 0.22 H new ATOM 0 HA ALA A 10 11.924 -3.854 -4.071 1.00 0.26 H new ATOM 0 HB1 ALA A 10 14.217 -4.274 -3.209 1.00 0.28 H new ATOM 0 HB2 ALA A 10 14.262 -3.349 -4.728 1.00 0.28 H new ATOM 0 HB3 ALA A 10 14.522 -2.521 -3.174 1.00 0.28 H new ATOM 151 N GLU A 11 12.005 -1.888 -1.481 1.00 0.31 N ATOM 152 CA GLU A 11 11.611 -1.840 -0.056 1.00 0.32 C ATOM 153 C GLU A 11 10.094 -2.065 0.030 1.00 0.31 C ATOM 154 O GLU A 11 9.623 -2.875 0.801 1.00 0.39 O ATOM 155 CB GLU A 11 12.042 -0.466 0.511 1.00 0.28 C ATOM 156 CG GLU A 11 10.981 0.111 1.439 1.00 1.37 C ATOM 157 CD GLU A 11 11.561 1.297 2.213 1.00 1.09 C ATOM 158 OE1 GLU A 11 12.650 1.726 1.871 1.00 1.03 O ATOM 159 OE2 GLU A 11 10.905 1.754 3.134 1.00 1.96 O ATOM 0 H GLU A 11 12.209 -0.985 -1.910 1.00 0.31 H new ATOM 0 HA GLU A 11 12.096 -2.616 0.536 1.00 0.32 H new ATOM 0 HB2 GLU A 11 12.982 -0.573 1.053 1.00 0.28 H new ATOM 0 HB3 GLU A 11 12.225 0.227 -0.310 1.00 0.28 H new ATOM 0 HG2 GLU A 11 10.114 0.431 0.861 1.00 1.37 H new ATOM 0 HG3 GLU A 11 10.636 -0.655 2.134 1.00 1.37 H new ATOM 166 N PHE A 12 9.330 -1.369 -0.767 1.00 0.25 N ATOM 167 CA PHE A 12 7.856 -1.571 -0.732 1.00 0.25 C ATOM 168 C PHE A 12 7.544 -2.999 -1.179 1.00 0.27 C ATOM 169 O PHE A 12 6.630 -3.626 -0.685 1.00 0.24 O ATOM 170 CB PHE A 12 7.163 -0.591 -1.689 1.00 0.24 C ATOM 171 CG PHE A 12 7.698 0.824 -1.533 1.00 0.24 C ATOM 172 CD1 PHE A 12 7.994 1.350 -0.263 1.00 0.22 C ATOM 173 CD2 PHE A 12 7.881 1.623 -2.673 1.00 0.55 C ATOM 174 CE1 PHE A 12 8.472 2.661 -0.141 1.00 0.18 C ATOM 175 CE2 PHE A 12 8.359 2.929 -2.545 1.00 0.58 C ATOM 176 CZ PHE A 12 8.655 3.449 -1.282 1.00 0.27 C ATOM 0 H PHE A 12 9.661 -0.674 -1.436 1.00 0.25 H new ATOM 0 HA PHE A 12 7.495 -1.398 0.282 1.00 0.25 H new ATOM 0 HB2 PHE A 12 7.308 -0.923 -2.717 1.00 0.24 H new ATOM 0 HB3 PHE A 12 6.089 -0.597 -1.500 1.00 0.24 H new ATOM 0 HD1 PHE A 12 7.853 0.743 0.619 1.00 0.22 H new ATOM 0 HD2 PHE A 12 7.652 1.227 -3.651 1.00 0.55 H new ATOM 0 HE1 PHE A 12 8.699 3.064 0.835 1.00 0.18 H new ATOM 0 HE2 PHE A 12 8.500 3.539 -3.425 1.00 0.58 H new ATOM 0 HZ PHE A 12 9.025 4.459 -1.187 1.00 0.27 H new ATOM 186 N LYS A 13 8.291 -3.514 -2.115 1.00 0.34 N ATOM 187 CA LYS A 13 8.022 -4.897 -2.588 1.00 0.38 C ATOM 188 C LYS A 13 8.115 -5.856 -1.404 1.00 0.41 C ATOM 189 O LYS A 13 7.242 -6.672 -1.185 1.00 0.44 O ATOM 190 CB LYS A 13 9.046 -5.291 -3.661 1.00 0.33 C ATOM 191 CG LYS A 13 8.841 -6.771 -4.075 1.00 0.31 C ATOM 192 CD LYS A 13 9.087 -6.941 -5.586 1.00 0.33 C ATOM 193 CE LYS A 13 7.820 -6.569 -6.367 1.00 0.32 C ATOM 194 NZ LYS A 13 8.176 -6.285 -7.787 1.00 1.05 N ATOM 0 H LYS A 13 9.071 -3.039 -2.570 1.00 0.34 H new ATOM 0 HA LYS A 13 7.023 -4.947 -3.022 1.00 0.38 H new ATOM 0 HB2 LYS A 13 8.940 -4.644 -4.531 1.00 0.33 H new ATOM 0 HB3 LYS A 13 10.057 -5.149 -3.280 1.00 0.33 H new ATOM 0 HG2 LYS A 13 9.523 -7.411 -3.514 1.00 0.31 H new ATOM 0 HG3 LYS A 13 7.828 -7.089 -3.826 1.00 0.31 H new ATOM 0 HD2 LYS A 13 9.917 -6.309 -5.901 1.00 0.33 H new ATOM 0 HD3 LYS A 13 9.369 -7.971 -5.804 1.00 0.33 H new ATOM 0 HE2 LYS A 13 7.098 -7.384 -6.318 1.00 0.32 H new ATOM 0 HE3 LYS A 13 7.347 -5.696 -5.918 1.00 0.32 H new ATOM 0 HZ1 LYS A 13 7.317 -6.033 -8.316 1.00 1.05 H new ATOM 0 HZ2 LYS A 13 8.850 -5.494 -7.824 1.00 1.05 H new ATOM 0 HZ3 LYS A 13 8.609 -7.130 -8.212 1.00 1.05 H new ATOM 208 N GLU A 14 9.159 -5.758 -0.625 1.00 0.42 N ATOM 209 CA GLU A 14 9.281 -6.665 0.553 1.00 0.45 C ATOM 210 C GLU A 14 8.141 -6.362 1.510 1.00 0.42 C ATOM 211 O GLU A 14 7.398 -7.232 1.916 1.00 0.53 O ATOM 212 CB GLU A 14 10.604 -6.411 1.273 1.00 0.48 C ATOM 213 CG GLU A 14 11.767 -6.616 0.306 1.00 0.64 C ATOM 214 CD GLU A 14 12.049 -8.111 0.138 1.00 1.82 C ATOM 215 OE1 GLU A 14 11.288 -8.763 -0.557 1.00 3.12 O ATOM 216 OE2 GLU A 14 13.021 -8.579 0.710 1.00 1.65 O ATOM 0 H GLU A 14 9.925 -5.097 -0.751 1.00 0.42 H new ATOM 0 HA GLU A 14 9.245 -7.703 0.221 1.00 0.45 H new ATOM 0 HB2 GLU A 14 10.624 -5.396 1.670 1.00 0.48 H new ATOM 0 HB3 GLU A 14 10.702 -7.087 2.122 1.00 0.48 H new ATOM 0 HG2 GLU A 14 11.530 -6.171 -0.660 1.00 0.64 H new ATOM 0 HG3 GLU A 14 12.656 -6.109 0.681 1.00 0.64 H new ATOM 223 N ALA A 15 8.007 -5.121 1.870 1.00 0.29 N ATOM 224 CA ALA A 15 6.916 -4.731 2.806 1.00 0.27 C ATOM 225 C ALA A 15 5.579 -5.235 2.264 1.00 0.21 C ATOM 226 O ALA A 15 4.677 -5.564 3.008 1.00 0.17 O ATOM 227 CB ALA A 15 6.873 -3.207 2.941 1.00 0.35 C ATOM 0 H ALA A 15 8.605 -4.356 1.558 1.00 0.29 H new ATOM 0 HA ALA A 15 7.102 -5.173 3.785 1.00 0.27 H new ATOM 0 HB1 ALA A 15 6.074 -2.925 3.626 1.00 0.35 H new ATOM 0 HB2 ALA A 15 7.827 -2.849 3.329 1.00 0.35 H new ATOM 0 HB3 ALA A 15 6.688 -2.760 1.964 1.00 0.35 H new ATOM 233 N PHE A 16 5.448 -5.297 0.969 1.00 0.21 N ATOM 234 CA PHE A 16 4.174 -5.776 0.363 1.00 0.17 C ATOM 235 C PHE A 16 4.079 -7.299 0.472 1.00 0.15 C ATOM 236 O PHE A 16 3.043 -7.846 0.792 1.00 0.11 O ATOM 237 CB PHE A 16 4.146 -5.372 -1.110 1.00 0.21 C ATOM 238 CG PHE A 16 2.755 -5.538 -1.664 1.00 0.19 C ATOM 239 CD1 PHE A 16 1.833 -4.489 -1.564 1.00 0.16 C ATOM 240 CD2 PHE A 16 2.389 -6.737 -2.291 1.00 0.22 C ATOM 241 CE1 PHE A 16 0.547 -4.638 -2.089 1.00 0.16 C ATOM 242 CE2 PHE A 16 1.103 -6.883 -2.819 1.00 0.22 C ATOM 243 CZ PHE A 16 0.185 -5.831 -2.717 1.00 0.20 C ATOM 0 H PHE A 16 6.172 -5.035 0.300 1.00 0.21 H new ATOM 0 HA PHE A 16 3.331 -5.331 0.892 1.00 0.17 H new ATOM 0 HB2 PHE A 16 4.468 -4.336 -1.218 1.00 0.21 H new ATOM 0 HB3 PHE A 16 4.847 -5.984 -1.677 1.00 0.21 H new ATOM 0 HD1 PHE A 16 2.116 -3.565 -1.081 1.00 0.16 H new ATOM 0 HD2 PHE A 16 3.100 -7.547 -2.366 1.00 0.22 H new ATOM 0 HE1 PHE A 16 -0.166 -3.831 -2.009 1.00 0.16 H new ATOM 0 HE2 PHE A 16 0.818 -7.805 -3.304 1.00 0.22 H new ATOM 0 HZ PHE A 16 -0.808 -5.943 -3.126 1.00 0.20 H new ATOM 253 N SER A 17 5.151 -7.987 0.202 1.00 0.17 N ATOM 254 CA SER A 17 5.125 -9.474 0.280 1.00 0.15 C ATOM 255 C SER A 17 4.939 -9.920 1.731 1.00 0.14 C ATOM 256 O SER A 17 4.375 -10.960 2.004 1.00 0.16 O ATOM 257 CB SER A 17 6.443 -10.031 -0.255 1.00 0.14 C ATOM 258 OG SER A 17 7.522 -9.305 0.314 1.00 0.63 O ATOM 0 H SER A 17 6.047 -7.583 -0.070 1.00 0.17 H new ATOM 0 HA SER A 17 4.294 -9.849 -0.318 1.00 0.15 H new ATOM 0 HB2 SER A 17 6.531 -11.089 -0.009 1.00 0.14 H new ATOM 0 HB3 SER A 17 6.470 -9.953 -1.342 1.00 0.14 H new ATOM 0 HG SER A 17 7.189 -8.744 1.046 1.00 0.63 H new ATOM 264 N LEU A 18 5.422 -9.151 2.666 1.00 0.14 N ATOM 265 CA LEU A 18 5.281 -9.545 4.098 1.00 0.14 C ATOM 266 C LEU A 18 3.818 -9.895 4.402 1.00 0.12 C ATOM 267 O LEU A 18 3.532 -10.567 5.373 1.00 0.12 O ATOM 268 CB LEU A 18 5.732 -8.375 5.003 1.00 0.17 C ATOM 269 CG LEU A 18 7.233 -8.482 5.342 1.00 0.15 C ATOM 270 CD1 LEU A 18 7.664 -7.240 6.145 1.00 0.16 C ATOM 271 CD2 LEU A 18 7.510 -9.757 6.177 1.00 0.14 C ATOM 0 H LEU A 18 5.907 -8.269 2.503 1.00 0.14 H new ATOM 0 HA LEU A 18 5.905 -10.417 4.292 1.00 0.14 H new ATOM 0 HB2 LEU A 18 5.536 -7.427 4.502 1.00 0.17 H new ATOM 0 HB3 LEU A 18 5.147 -8.376 5.923 1.00 0.17 H new ATOM 0 HG LEU A 18 7.801 -8.540 4.414 1.00 0.15 H new ATOM 0 HD11 LEU A 18 8.724 -7.313 6.386 1.00 0.16 H new ATOM 0 HD12 LEU A 18 7.488 -6.343 5.551 1.00 0.16 H new ATOM 0 HD13 LEU A 18 7.085 -7.184 7.067 1.00 0.16 H new ATOM 0 HD21 LEU A 18 8.574 -9.817 6.407 1.00 0.14 H new ATOM 0 HD22 LEU A 18 6.939 -9.715 7.105 1.00 0.14 H new ATOM 0 HD23 LEU A 18 7.212 -10.637 5.607 1.00 0.14 H new ATOM 283 N PHE A 19 2.890 -9.432 3.599 1.00 0.12 N ATOM 284 CA PHE A 19 1.440 -9.723 3.858 1.00 0.10 C ATOM 285 C PHE A 19 0.802 -10.391 2.636 1.00 0.09 C ATOM 286 O PHE A 19 -0.404 -10.414 2.490 1.00 0.09 O ATOM 287 CB PHE A 19 0.726 -8.410 4.167 1.00 0.11 C ATOM 288 CG PHE A 19 1.367 -7.785 5.382 1.00 0.11 C ATOM 289 CD1 PHE A 19 2.532 -7.021 5.244 1.00 0.12 C ATOM 290 CD2 PHE A 19 0.804 -7.981 6.646 1.00 0.11 C ATOM 291 CE1 PHE A 19 3.131 -6.448 6.372 1.00 0.13 C ATOM 292 CE2 PHE A 19 1.402 -7.409 7.775 1.00 0.12 C ATOM 293 CZ PHE A 19 2.566 -6.643 7.638 1.00 0.13 C ATOM 0 H PHE A 19 3.073 -8.863 2.772 1.00 0.12 H new ATOM 0 HA PHE A 19 1.350 -10.404 4.704 1.00 0.10 H new ATOM 0 HB2 PHE A 19 0.793 -7.734 3.315 1.00 0.11 H new ATOM 0 HB3 PHE A 19 -0.334 -8.590 4.349 1.00 0.11 H new ATOM 0 HD1 PHE A 19 2.969 -6.874 4.267 1.00 0.12 H new ATOM 0 HD2 PHE A 19 -0.093 -8.574 6.752 1.00 0.11 H new ATOM 0 HE1 PHE A 19 4.028 -5.856 6.266 1.00 0.13 H new ATOM 0 HE2 PHE A 19 0.966 -7.558 8.752 1.00 0.12 H new ATOM 0 HZ PHE A 19 3.028 -6.202 8.509 1.00 0.13 H new ATOM 303 N ASP A 20 1.600 -10.957 1.767 1.00 0.11 N ATOM 304 CA ASP A 20 1.049 -11.650 0.560 1.00 0.10 C ATOM 305 C ASP A 20 1.035 -13.160 0.828 1.00 0.12 C ATOM 306 O ASP A 20 1.809 -13.907 0.261 1.00 0.16 O ATOM 307 CB ASP A 20 1.941 -11.366 -0.649 1.00 0.14 C ATOM 308 CG ASP A 20 1.374 -12.080 -1.880 1.00 0.16 C ATOM 309 OD1 ASP A 20 0.168 -12.041 -2.059 1.00 1.16 O ATOM 310 OD2 ASP A 20 2.156 -12.650 -2.623 1.00 1.01 O ATOM 0 H ASP A 20 2.617 -10.970 1.841 1.00 0.11 H new ATOM 0 HA ASP A 20 0.040 -11.290 0.356 1.00 0.10 H new ATOM 0 HB2 ASP A 20 1.995 -10.293 -0.831 1.00 0.14 H new ATOM 0 HB3 ASP A 20 2.957 -11.708 -0.453 1.00 0.14 H new ATOM 315 N LYS A 21 0.182 -13.610 1.708 1.00 0.14 N ATOM 316 CA LYS A 21 0.134 -15.068 2.040 1.00 0.21 C ATOM 317 C LYS A 21 -0.635 -15.846 0.977 1.00 0.13 C ATOM 318 O LYS A 21 -0.799 -17.046 1.070 1.00 0.15 O ATOM 319 CB LYS A 21 -0.566 -15.247 3.381 1.00 0.30 C ATOM 320 CG LYS A 21 0.210 -14.506 4.480 1.00 0.42 C ATOM 321 CD LYS A 21 1.481 -15.283 4.860 1.00 0.57 C ATOM 322 CE LYS A 21 1.996 -14.794 6.215 1.00 0.63 C ATOM 323 NZ LYS A 21 3.279 -15.480 6.536 1.00 1.79 N ATOM 0 H LYS A 21 -0.487 -13.030 2.215 1.00 0.14 H new ATOM 0 HA LYS A 21 1.155 -15.448 2.082 1.00 0.21 H new ATOM 0 HB2 LYS A 21 -1.585 -14.865 3.323 1.00 0.30 H new ATOM 0 HB3 LYS A 21 -0.637 -16.307 3.625 1.00 0.30 H new ATOM 0 HG2 LYS A 21 0.477 -13.507 4.134 1.00 0.42 H new ATOM 0 HG3 LYS A 21 -0.423 -14.381 5.359 1.00 0.42 H new ATOM 0 HD2 LYS A 21 1.267 -16.351 4.905 1.00 0.57 H new ATOM 0 HD3 LYS A 21 2.247 -15.143 4.097 1.00 0.57 H new ATOM 0 HE2 LYS A 21 2.145 -13.714 6.191 1.00 0.63 H new ATOM 0 HE3 LYS A 21 1.258 -14.997 6.991 1.00 0.63 H new ATOM 0 HZ1 LYS A 21 3.629 -15.148 7.457 1.00 1.79 H new ATOM 0 HZ2 LYS A 21 3.123 -16.507 6.575 1.00 1.79 H new ATOM 0 HZ3 LYS A 21 3.982 -15.264 5.800 1.00 1.79 H new ATOM 337 N ASP A 22 -1.109 -15.175 -0.025 1.00 0.07 N ATOM 338 CA ASP A 22 -1.882 -15.862 -1.107 1.00 0.11 C ATOM 339 C ASP A 22 -0.969 -16.107 -2.310 1.00 0.18 C ATOM 340 O ASP A 22 -1.403 -16.584 -3.342 1.00 0.25 O ATOM 341 CB ASP A 22 -3.053 -14.975 -1.534 1.00 0.20 C ATOM 342 CG ASP A 22 -4.133 -15.000 -0.452 1.00 0.47 C ATOM 343 OD1 ASP A 22 -3.779 -14.945 0.714 1.00 0.85 O ATOM 344 OD2 ASP A 22 -5.298 -15.073 -0.807 1.00 1.37 O ATOM 0 H ASP A 22 -0.998 -14.169 -0.150 1.00 0.07 H new ATOM 0 HA ASP A 22 -2.259 -16.815 -0.736 1.00 0.11 H new ATOM 0 HB2 ASP A 22 -2.709 -13.953 -1.696 1.00 0.20 H new ATOM 0 HB3 ASP A 22 -3.463 -15.327 -2.481 1.00 0.20 H new ATOM 349 N GLY A 23 0.293 -15.789 -2.192 1.00 0.21 N ATOM 350 CA GLY A 23 1.229 -16.009 -3.330 1.00 0.31 C ATOM 351 C GLY A 23 0.609 -15.437 -4.603 1.00 0.36 C ATOM 352 O GLY A 23 0.982 -15.790 -5.703 1.00 0.47 O ATOM 0 H GLY A 23 0.715 -15.386 -1.355 1.00 0.21 H new ATOM 0 HA2 GLY A 23 2.186 -15.528 -3.128 1.00 0.31 H new ATOM 0 HA3 GLY A 23 1.427 -17.074 -3.454 1.00 0.31 H new ATOM 356 N ASP A 24 -0.342 -14.554 -4.454 1.00 0.32 N ATOM 357 CA ASP A 24 -1.010 -13.944 -5.643 1.00 0.41 C ATOM 358 C ASP A 24 -0.415 -12.562 -5.907 1.00 0.40 C ATOM 359 O ASP A 24 -0.810 -11.870 -6.826 1.00 0.47 O ATOM 360 CB ASP A 24 -2.508 -13.805 -5.365 1.00 0.41 C ATOM 361 CG ASP A 24 -3.237 -13.434 -6.657 1.00 0.54 C ATOM 362 OD1 ASP A 24 -2.685 -13.678 -7.719 1.00 0.56 O ATOM 363 OD2 ASP A 24 -4.335 -12.910 -6.566 1.00 1.70 O ATOM 0 H ASP A 24 -0.688 -14.226 -3.552 1.00 0.32 H new ATOM 0 HA ASP A 24 -0.856 -14.580 -6.515 1.00 0.41 H new ATOM 0 HB2 ASP A 24 -2.903 -14.740 -4.968 1.00 0.41 H new ATOM 0 HB3 ASP A 24 -2.678 -13.040 -4.607 1.00 0.41 H new ATOM 368 N GLY A 25 0.535 -12.152 -5.110 1.00 0.33 N ATOM 369 CA GLY A 25 1.151 -10.814 -5.324 1.00 0.32 C ATOM 370 C GLY A 25 0.141 -9.722 -4.945 1.00 0.29 C ATOM 371 O GLY A 25 0.175 -8.632 -5.479 1.00 0.30 O ATOM 0 H GLY A 25 0.909 -12.684 -4.324 1.00 0.33 H new ATOM 0 HA2 GLY A 25 2.053 -10.716 -4.720 1.00 0.32 H new ATOM 0 HA3 GLY A 25 1.451 -10.702 -6.366 1.00 0.32 H new ATOM 375 N THR A 26 -0.766 -10.001 -4.029 1.00 0.26 N ATOM 376 CA THR A 26 -1.777 -8.974 -3.628 1.00 0.24 C ATOM 377 C THR A 26 -1.997 -9.025 -2.114 1.00 0.19 C ATOM 378 O THR A 26 -1.582 -9.952 -1.446 1.00 0.17 O ATOM 379 CB THR A 26 -3.104 -9.253 -4.337 1.00 0.26 C ATOM 380 OG1 THR A 26 -3.642 -10.479 -3.862 1.00 0.27 O ATOM 381 CG2 THR A 26 -2.876 -9.343 -5.846 1.00 0.30 C ATOM 0 H THR A 26 -0.845 -10.896 -3.546 1.00 0.26 H new ATOM 0 HA THR A 26 -1.410 -7.987 -3.910 1.00 0.24 H new ATOM 0 HB THR A 26 -3.803 -8.443 -4.129 1.00 0.26 H new ATOM 0 HG1 THR A 26 -4.493 -10.659 -4.313 1.00 0.27 H new ATOM 0 HG21 THR A 26 -3.824 -9.542 -6.346 1.00 0.30 H new ATOM 0 HG22 THR A 26 -2.465 -8.401 -6.209 1.00 0.30 H new ATOM 0 HG23 THR A 26 -2.176 -10.151 -6.061 1.00 0.30 H new ATOM 389 N ILE A 27 -2.659 -8.036 -1.571 1.00 0.18 N ATOM 390 CA ILE A 27 -2.930 -8.009 -0.100 1.00 0.14 C ATOM 391 C ILE A 27 -4.349 -7.488 0.125 1.00 0.15 C ATOM 392 O ILE A 27 -4.975 -6.970 -0.779 1.00 0.19 O ATOM 393 CB ILE A 27 -1.922 -7.085 0.599 1.00 0.10 C ATOM 394 CG1 ILE A 27 -2.034 -5.663 0.022 1.00 0.13 C ATOM 395 CG2 ILE A 27 -0.503 -7.621 0.376 1.00 0.11 C ATOM 396 CD1 ILE A 27 -1.067 -4.729 0.754 1.00 0.10 C ATOM 0 H ILE A 27 -3.027 -7.238 -2.088 1.00 0.18 H new ATOM 0 HA ILE A 27 -2.831 -9.013 0.314 1.00 0.14 H new ATOM 0 HB ILE A 27 -2.137 -7.055 1.667 1.00 0.10 H new ATOM 0 HG12 ILE A 27 -1.806 -5.674 -1.044 1.00 0.13 H new ATOM 0 HG13 ILE A 27 -3.056 -5.298 0.126 1.00 0.13 H new ATOM 0 HG21 ILE A 27 0.215 -6.967 0.871 1.00 0.11 H new ATOM 0 HG22 ILE A 27 -0.424 -8.626 0.791 1.00 0.11 H new ATOM 0 HG23 ILE A 27 -0.289 -7.651 -0.692 1.00 0.11 H new ATOM 0 HD11 ILE A 27 -1.150 -3.723 0.342 1.00 0.10 H new ATOM 0 HD12 ILE A 27 -1.315 -4.708 1.815 1.00 0.10 H new ATOM 0 HD13 ILE A 27 -0.046 -5.090 0.627 1.00 0.10 H new ATOM 408 N THR A 28 -4.873 -7.614 1.315 1.00 0.16 N ATOM 409 CA THR A 28 -6.255 -7.116 1.570 1.00 0.20 C ATOM 410 C THR A 28 -6.218 -5.659 2.012 1.00 0.15 C ATOM 411 O THR A 28 -5.187 -5.128 2.375 1.00 0.14 O ATOM 412 CB THR A 28 -6.910 -7.934 2.679 1.00 0.27 C ATOM 413 OG1 THR A 28 -6.550 -7.392 3.943 1.00 0.28 O ATOM 414 CG2 THR A 28 -6.444 -9.384 2.595 1.00 0.31 C ATOM 0 H THR A 28 -4.407 -8.038 2.117 1.00 0.16 H new ATOM 0 HA THR A 28 -6.825 -7.211 0.646 1.00 0.20 H new ATOM 0 HB THR A 28 -7.993 -7.898 2.561 1.00 0.27 H new ATOM 0 HG1 THR A 28 -6.972 -7.916 4.656 1.00 0.28 H new ATOM 0 HG21 THR A 28 -6.914 -9.964 3.389 1.00 0.31 H new ATOM 0 HG22 THR A 28 -6.723 -9.800 1.627 1.00 0.31 H new ATOM 0 HG23 THR A 28 -5.361 -9.425 2.709 1.00 0.31 H new ATOM 422 N THR A 29 -7.350 -5.015 2.003 1.00 0.16 N ATOM 423 CA THR A 29 -7.405 -3.598 2.438 1.00 0.13 C ATOM 424 C THR A 29 -7.186 -3.528 3.953 1.00 0.19 C ATOM 425 O THR A 29 -6.670 -2.559 4.474 1.00 0.22 O ATOM 426 CB THR A 29 -8.787 -3.033 2.099 1.00 0.12 C ATOM 427 OG1 THR A 29 -9.780 -3.982 2.463 1.00 0.21 O ATOM 428 CG2 THR A 29 -8.883 -2.743 0.599 1.00 0.12 C ATOM 0 H THR A 29 -8.243 -5.413 1.711 1.00 0.16 H new ATOM 0 HA THR A 29 -6.632 -3.020 1.931 1.00 0.13 H new ATOM 0 HB THR A 29 -8.942 -2.105 2.649 1.00 0.12 H new ATOM 0 HG1 THR A 29 -10.667 -3.625 2.250 1.00 0.21 H new ATOM 0 HG21 THR A 29 -9.870 -2.342 0.368 1.00 0.12 H new ATOM 0 HG22 THR A 29 -8.121 -2.015 0.320 1.00 0.12 H new ATOM 0 HG23 THR A 29 -8.727 -3.665 0.039 1.00 0.12 H new ATOM 436 N LYS A 30 -7.589 -4.546 4.665 1.00 0.25 N ATOM 437 CA LYS A 30 -7.420 -4.542 6.144 1.00 0.32 C ATOM 438 C LYS A 30 -5.936 -4.525 6.513 1.00 0.29 C ATOM 439 O LYS A 30 -5.565 -4.099 7.588 1.00 0.30 O ATOM 440 CB LYS A 30 -8.081 -5.790 6.737 1.00 0.40 C ATOM 441 CG LYS A 30 -9.582 -5.758 6.441 1.00 0.39 C ATOM 442 CD LYS A 30 -10.257 -6.975 7.079 1.00 0.26 C ATOM 443 CE LYS A 30 -11.724 -7.026 6.650 1.00 0.60 C ATOM 444 NZ LYS A 30 -11.808 -7.412 5.212 1.00 2.16 N ATOM 0 H LYS A 30 -8.030 -5.383 4.283 1.00 0.25 H new ATOM 0 HA LYS A 30 -7.892 -3.647 6.549 1.00 0.32 H new ATOM 0 HB2 LYS A 30 -7.634 -6.689 6.312 1.00 0.40 H new ATOM 0 HB3 LYS A 30 -7.912 -5.828 7.813 1.00 0.40 H new ATOM 0 HG2 LYS A 30 -10.021 -4.840 6.832 1.00 0.39 H new ATOM 0 HG3 LYS A 30 -9.751 -5.759 5.364 1.00 0.39 H new ATOM 0 HD2 LYS A 30 -9.746 -7.889 6.775 1.00 0.26 H new ATOM 0 HD3 LYS A 30 -10.186 -6.916 8.165 1.00 0.26 H new ATOM 0 HE2 LYS A 30 -12.268 -7.744 7.263 1.00 0.60 H new ATOM 0 HE3 LYS A 30 -12.193 -6.054 6.805 1.00 0.60 H new ATOM 0 HZ1 LYS A 30 -12.761 -7.774 5.005 1.00 2.16 H new ATOM 0 HZ2 LYS A 30 -11.616 -6.580 4.618 1.00 2.16 H new ATOM 0 HZ3 LYS A 30 -11.106 -8.152 5.009 1.00 2.16 H new ATOM 458 N GLU A 31 -5.082 -4.984 5.634 1.00 0.26 N ATOM 459 CA GLU A 31 -3.614 -4.992 5.945 1.00 0.24 C ATOM 460 C GLU A 31 -2.934 -3.795 5.278 1.00 0.22 C ATOM 461 O GLU A 31 -1.724 -3.718 5.211 1.00 0.19 O ATOM 462 CB GLU A 31 -2.979 -6.280 5.421 1.00 0.23 C ATOM 463 CG GLU A 31 -3.708 -7.488 6.005 1.00 0.27 C ATOM 464 CD GLU A 31 -3.245 -8.758 5.290 1.00 0.27 C ATOM 465 OE1 GLU A 31 -3.273 -8.771 4.069 1.00 0.23 O ATOM 466 OE2 GLU A 31 -2.866 -9.694 5.974 1.00 0.30 O ATOM 0 H GLU A 31 -5.333 -5.353 4.717 1.00 0.26 H new ATOM 0 HA GLU A 31 -3.484 -4.932 7.026 1.00 0.24 H new ATOM 0 HB2 GLU A 31 -3.029 -6.305 4.332 1.00 0.23 H new ATOM 0 HB3 GLU A 31 -1.924 -6.313 5.693 1.00 0.23 H new ATOM 0 HG2 GLU A 31 -3.507 -7.566 7.074 1.00 0.27 H new ATOM 0 HG3 GLU A 31 -4.785 -7.366 5.891 1.00 0.27 H new ATOM 473 N LEU A 32 -3.696 -2.862 4.778 1.00 0.26 N ATOM 474 CA LEU A 32 -3.075 -1.681 4.118 1.00 0.24 C ATOM 475 C LEU A 32 -2.375 -0.817 5.170 1.00 0.24 C ATOM 476 O LEU A 32 -1.223 -0.458 5.020 1.00 0.22 O ATOM 477 CB LEU A 32 -4.162 -0.863 3.404 1.00 0.26 C ATOM 478 CG LEU A 32 -3.570 0.434 2.832 1.00 0.24 C ATOM 479 CD1 LEU A 32 -2.356 0.120 1.950 1.00 0.20 C ATOM 480 CD2 LEU A 32 -4.640 1.145 1.999 1.00 0.26 C ATOM 0 H LEU A 32 -4.716 -2.866 4.798 1.00 0.26 H new ATOM 0 HA LEU A 32 -2.341 -2.015 3.385 1.00 0.24 H new ATOM 0 HB2 LEU A 32 -4.602 -1.454 2.601 1.00 0.26 H new ATOM 0 HB3 LEU A 32 -4.965 -0.626 4.102 1.00 0.26 H new ATOM 0 HG LEU A 32 -3.249 1.076 3.652 1.00 0.24 H new ATOM 0 HD11 LEU A 32 -1.946 1.048 1.551 1.00 0.20 H new ATOM 0 HD12 LEU A 32 -1.596 -0.386 2.544 1.00 0.20 H new ATOM 0 HD13 LEU A 32 -2.662 -0.525 1.126 1.00 0.20 H new ATOM 0 HD21 LEU A 32 -4.228 2.067 1.589 1.00 0.26 H new ATOM 0 HD22 LEU A 32 -4.958 0.495 1.184 1.00 0.26 H new ATOM 0 HD23 LEU A 32 -5.497 1.379 2.631 1.00 0.26 H new ATOM 492 N GLY A 33 -3.053 -0.478 6.234 1.00 0.26 N ATOM 493 CA GLY A 33 -2.412 0.359 7.287 1.00 0.27 C ATOM 494 C GLY A 33 -1.256 -0.414 7.921 1.00 0.25 C ATOM 495 O GLY A 33 -0.312 0.166 8.419 1.00 0.25 O ATOM 0 H GLY A 33 -4.020 -0.744 6.418 1.00 0.26 H new ATOM 0 HA2 GLY A 33 -2.046 1.290 6.854 1.00 0.27 H new ATOM 0 HA3 GLY A 33 -3.144 0.628 8.048 1.00 0.27 H new ATOM 499 N THR A 34 -1.317 -1.717 7.908 1.00 0.23 N ATOM 500 CA THR A 34 -0.218 -2.515 8.516 1.00 0.21 C ATOM 501 C THR A 34 1.041 -2.388 7.657 1.00 0.20 C ATOM 502 O THR A 34 2.133 -2.223 8.165 1.00 0.20 O ATOM 503 CB THR A 34 -0.642 -3.985 8.608 1.00 0.20 C ATOM 504 OG1 THR A 34 -1.989 -4.059 9.060 1.00 0.22 O ATOM 505 CG2 THR A 34 0.265 -4.727 9.592 1.00 0.20 C ATOM 0 H THR A 34 -2.079 -2.262 7.504 1.00 0.23 H new ATOM 0 HA THR A 34 -0.007 -2.141 9.518 1.00 0.21 H new ATOM 0 HB THR A 34 -0.557 -4.446 7.624 1.00 0.20 H new ATOM 0 HG1 THR A 34 -2.263 -4.998 9.118 1.00 0.22 H new ATOM 0 HG21 THR A 34 -0.042 -5.771 9.653 1.00 0.20 H new ATOM 0 HG22 THR A 34 1.298 -4.671 9.248 1.00 0.20 H new ATOM 0 HG23 THR A 34 0.186 -4.268 10.577 1.00 0.20 H new ATOM 513 N VAL A 35 0.901 -2.442 6.363 1.00 0.19 N ATOM 514 CA VAL A 35 2.096 -2.303 5.486 1.00 0.19 C ATOM 515 C VAL A 35 2.610 -0.869 5.601 1.00 0.20 C ATOM 516 O VAL A 35 3.785 -0.628 5.816 1.00 0.24 O ATOM 517 CB VAL A 35 1.710 -2.594 4.035 1.00 0.15 C ATOM 518 CG1 VAL A 35 2.927 -2.384 3.130 1.00 0.14 C ATOM 519 CG2 VAL A 35 1.229 -4.042 3.914 1.00 0.15 C ATOM 0 H VAL A 35 0.015 -2.576 5.876 1.00 0.19 H new ATOM 0 HA VAL A 35 2.869 -3.008 5.792 1.00 0.19 H new ATOM 0 HB VAL A 35 0.910 -1.919 3.731 1.00 0.15 H new ATOM 0 HG11 VAL A 35 2.652 -2.591 2.096 1.00 0.14 H new ATOM 0 HG12 VAL A 35 3.270 -1.353 3.214 1.00 0.14 H new ATOM 0 HG13 VAL A 35 3.728 -3.058 3.435 1.00 0.14 H new ATOM 0 HG21 VAL A 35 0.954 -4.249 2.880 1.00 0.15 H new ATOM 0 HG22 VAL A 35 2.028 -4.718 4.219 1.00 0.15 H new ATOM 0 HG23 VAL A 35 0.362 -4.192 4.557 1.00 0.15 H new ATOM 529 N MET A 36 1.731 0.086 5.475 1.00 0.18 N ATOM 530 CA MET A 36 2.152 1.506 5.589 1.00 0.21 C ATOM 531 C MET A 36 2.826 1.719 6.950 1.00 0.25 C ATOM 532 O MET A 36 3.781 2.460 7.069 1.00 0.28 O ATOM 533 CB MET A 36 0.917 2.407 5.477 1.00 0.18 C ATOM 534 CG MET A 36 0.474 2.526 4.005 1.00 0.17 C ATOM 535 SD MET A 36 1.226 3.996 3.260 1.00 0.58 S ATOM 536 CE MET A 36 -0.071 4.324 2.040 1.00 0.26 C ATOM 0 H MET A 36 0.737 -0.058 5.298 1.00 0.18 H new ATOM 0 HA MET A 36 2.854 1.754 4.792 1.00 0.21 H new ATOM 0 HB2 MET A 36 0.104 1.998 6.077 1.00 0.18 H new ATOM 0 HB3 MET A 36 1.142 3.396 5.877 1.00 0.18 H new ATOM 0 HG2 MET A 36 0.770 1.634 3.453 1.00 0.17 H new ATOM 0 HG3 MET A 36 -0.612 2.592 3.946 1.00 0.17 H new ATOM 0 HE1 MET A 36 0.192 5.207 1.457 1.00 0.26 H new ATOM 0 HE2 MET A 36 -0.170 3.466 1.375 1.00 0.26 H new ATOM 0 HE3 MET A 36 -1.017 4.497 2.553 1.00 0.26 H new ATOM 546 N ARG A 37 2.333 1.076 7.978 1.00 0.26 N ATOM 547 CA ARG A 37 2.947 1.248 9.327 1.00 0.31 C ATOM 548 C ARG A 37 4.327 0.591 9.351 1.00 0.26 C ATOM 549 O ARG A 37 5.223 1.040 10.039 1.00 0.28 O ATOM 550 CB ARG A 37 2.039 0.614 10.395 1.00 0.39 C ATOM 551 CG ARG A 37 0.925 1.598 10.772 1.00 0.49 C ATOM 552 CD ARG A 37 -0.017 0.949 11.788 1.00 0.48 C ATOM 553 NE ARG A 37 -0.518 -0.347 11.251 1.00 1.92 N ATOM 554 CZ ARG A 37 -1.076 -1.211 12.053 1.00 2.34 C ATOM 555 NH1 ARG A 37 -1.199 -0.935 13.323 1.00 1.72 N ATOM 556 NH2 ARG A 37 -1.515 -2.349 11.589 1.00 3.73 N ATOM 0 H ARG A 37 1.535 0.442 7.941 1.00 0.26 H new ATOM 0 HA ARG A 37 3.057 2.311 9.543 1.00 0.31 H new ATOM 0 HB2 ARG A 37 1.607 -0.312 10.016 1.00 0.39 H new ATOM 0 HB3 ARG A 37 2.624 0.356 11.278 1.00 0.39 H new ATOM 0 HG2 ARG A 37 1.356 2.507 11.191 1.00 0.49 H new ATOM 0 HG3 ARG A 37 0.369 1.890 9.881 1.00 0.49 H new ATOM 0 HD2 ARG A 37 0.506 0.786 12.730 1.00 0.48 H new ATOM 0 HD3 ARG A 37 -0.854 1.614 11.999 1.00 0.48 H new ATOM 0 HE ARG A 37 -0.425 -0.558 10.258 1.00 1.92 H new ATOM 0 HH11 ARG A 37 -0.859 -0.045 13.687 1.00 1.72 H new ATOM 0 HH12 ARG A 37 -1.635 -1.610 13.952 1.00 1.72 H new ATOM 0 HH21 ARG A 37 -1.422 -2.565 10.596 1.00 3.73 H new ATOM 0 HH22 ARG A 37 -1.951 -3.023 12.219 1.00 3.73 H new ATOM 570 N SER A 38 4.516 -0.457 8.601 1.00 0.20 N ATOM 571 CA SER A 38 5.850 -1.115 8.586 1.00 0.17 C ATOM 572 C SER A 38 6.885 -0.115 8.074 1.00 0.13 C ATOM 573 O SER A 38 8.050 -0.182 8.410 1.00 0.09 O ATOM 574 CB SER A 38 5.812 -2.336 7.665 1.00 0.16 C ATOM 575 OG SER A 38 6.108 -1.926 6.334 1.00 0.19 O ATOM 0 H SER A 38 3.810 -0.884 8.002 1.00 0.20 H new ATOM 0 HA SER A 38 6.115 -1.439 9.592 1.00 0.17 H new ATOM 0 HB2 SER A 38 6.535 -3.081 7.998 1.00 0.16 H new ATOM 0 HB3 SER A 38 4.829 -2.806 7.704 1.00 0.16 H new ATOM 0 HG SER A 38 5.384 -1.357 5.998 1.00 0.19 H new ATOM 581 N LEU A 39 6.464 0.814 7.260 1.00 0.18 N ATOM 582 CA LEU A 39 7.415 1.827 6.718 1.00 0.16 C ATOM 583 C LEU A 39 7.529 3.006 7.693 1.00 0.18 C ATOM 584 O LEU A 39 8.259 3.948 7.457 1.00 0.16 O ATOM 585 CB LEU A 39 6.907 2.323 5.360 1.00 0.12 C ATOM 586 CG LEU A 39 6.603 1.123 4.454 1.00 0.11 C ATOM 587 CD1 LEU A 39 5.975 1.620 3.148 1.00 0.08 C ATOM 588 CD2 LEU A 39 7.900 0.361 4.141 1.00 0.16 C ATOM 0 H LEU A 39 5.499 0.916 6.946 1.00 0.18 H new ATOM 0 HA LEU A 39 8.398 1.373 6.594 1.00 0.16 H new ATOM 0 HB2 LEU A 39 6.009 2.926 5.495 1.00 0.12 H new ATOM 0 HB3 LEU A 39 7.655 2.964 4.893 1.00 0.12 H new ATOM 0 HG LEU A 39 5.910 0.454 4.964 1.00 0.11 H new ATOM 0 HD11 LEU A 39 5.758 0.769 2.502 1.00 0.08 H new ATOM 0 HD12 LEU A 39 5.050 2.153 3.369 1.00 0.08 H new ATOM 0 HD13 LEU A 39 6.669 2.291 2.643 1.00 0.08 H new ATOM 0 HD21 LEU A 39 7.676 -0.490 3.497 1.00 0.16 H new ATOM 0 HD22 LEU A 39 8.599 1.026 3.634 1.00 0.16 H new ATOM 0 HD23 LEU A 39 8.346 0.006 5.070 1.00 0.16 H new ATOM 600 N GLY A 40 6.829 2.953 8.799 1.00 0.22 N ATOM 601 CA GLY A 40 6.916 4.062 9.804 1.00 0.24 C ATOM 602 C GLY A 40 5.858 5.141 9.530 1.00 0.23 C ATOM 603 O GLY A 40 5.939 6.236 10.051 1.00 0.23 O ATOM 0 H GLY A 40 6.200 2.190 9.051 1.00 0.22 H new ATOM 0 HA2 GLY A 40 6.778 3.659 10.807 1.00 0.24 H new ATOM 0 HA3 GLY A 40 7.910 4.507 9.774 1.00 0.24 H new ATOM 607 N GLN A 41 4.864 4.848 8.731 1.00 0.24 N ATOM 608 CA GLN A 41 3.800 5.866 8.438 1.00 0.24 C ATOM 609 C GLN A 41 2.570 5.572 9.304 1.00 0.24 C ATOM 610 O GLN A 41 2.247 4.435 9.562 1.00 0.24 O ATOM 611 CB GLN A 41 3.413 5.782 6.960 1.00 0.24 C ATOM 612 CG GLN A 41 4.651 6.024 6.091 1.00 0.08 C ATOM 613 CD GLN A 41 5.168 7.444 6.320 1.00 1.25 C ATOM 614 OE1 GLN A 41 5.937 7.685 7.230 1.00 2.60 O ATOM 615 NE2 GLN A 41 4.779 8.406 5.526 1.00 1.29 N ATOM 0 H GLN A 41 4.740 3.948 8.267 1.00 0.24 H new ATOM 0 HA GLN A 41 4.175 6.865 8.660 1.00 0.24 H new ATOM 0 HB2 GLN A 41 2.987 4.803 6.740 1.00 0.24 H new ATOM 0 HB3 GLN A 41 2.646 6.522 6.732 1.00 0.24 H new ATOM 0 HG2 GLN A 41 5.427 5.299 6.336 1.00 0.08 H new ATOM 0 HG3 GLN A 41 4.403 5.882 5.039 1.00 0.08 H new ATOM 0 HE21 GLN A 41 4.134 8.207 4.762 1.00 1.29 H new ATOM 0 HE22 GLN A 41 5.121 9.356 5.671 1.00 1.29 H new ATOM 624 N ASN A 42 1.879 6.588 9.765 1.00 0.24 N ATOM 625 CA ASN A 42 0.670 6.355 10.625 1.00 0.24 C ATOM 626 C ASN A 42 -0.492 7.251 10.170 1.00 0.22 C ATOM 627 O ASN A 42 -0.808 8.218 10.832 1.00 0.24 O ATOM 628 CB ASN A 42 1.019 6.689 12.078 1.00 0.27 C ATOM 629 CG ASN A 42 -0.085 6.166 13.003 1.00 0.19 C ATOM 630 OD1 ASN A 42 -0.800 6.939 13.608 1.00 1.10 O ATOM 631 ND2 ASN A 42 -0.253 4.879 13.136 1.00 0.90 N ATOM 0 H ASN A 42 2.098 7.568 9.584 1.00 0.24 H new ATOM 0 HA ASN A 42 0.368 5.311 10.538 1.00 0.24 H new ATOM 0 HB2 ASN A 42 1.975 6.240 12.346 1.00 0.27 H new ATOM 0 HB3 ASN A 42 1.128 7.767 12.198 1.00 0.27 H new ATOM 0 HD21 ASN A 42 -0.986 4.521 13.749 1.00 0.90 H new ATOM 0 HD22 ASN A 42 0.348 4.231 12.627 1.00 0.90 H new ATOM 638 N PRO A 43 -1.108 6.906 9.058 1.00 0.19 N ATOM 639 CA PRO A 43 -2.245 7.688 8.534 1.00 0.17 C ATOM 640 C PRO A 43 -3.462 7.477 9.446 1.00 0.19 C ATOM 641 O PRO A 43 -3.622 6.428 10.041 1.00 0.22 O ATOM 642 CB PRO A 43 -2.499 7.114 7.120 1.00 0.12 C ATOM 643 CG PRO A 43 -1.582 5.865 6.953 1.00 0.14 C ATOM 644 CD PRO A 43 -0.729 5.737 8.236 1.00 0.17 C ATOM 0 HA PRO A 43 -2.052 8.760 8.498 1.00 0.17 H new ATOM 0 HB2 PRO A 43 -3.547 6.840 7.000 1.00 0.12 H new ATOM 0 HB3 PRO A 43 -2.275 7.860 6.357 1.00 0.12 H new ATOM 0 HG2 PRO A 43 -2.181 4.967 6.800 1.00 0.14 H new ATOM 0 HG3 PRO A 43 -0.942 5.974 6.077 1.00 0.14 H new ATOM 0 HD2 PRO A 43 -0.936 4.803 8.757 1.00 0.17 H new ATOM 0 HD3 PRO A 43 0.336 5.744 8.005 1.00 0.17 H new ATOM 652 N THR A 44 -4.325 8.450 9.559 1.00 0.20 N ATOM 653 CA THR A 44 -5.518 8.268 10.430 1.00 0.25 C ATOM 654 C THR A 44 -6.458 7.256 9.778 1.00 0.23 C ATOM 655 O THR A 44 -6.218 6.783 8.686 1.00 0.14 O ATOM 656 CB THR A 44 -6.254 9.597 10.607 1.00 0.27 C ATOM 657 OG1 THR A 44 -6.565 10.140 9.333 1.00 0.23 O ATOM 658 CG2 THR A 44 -5.368 10.576 11.380 1.00 0.31 C ATOM 0 H THR A 44 -4.256 9.354 9.091 1.00 0.20 H new ATOM 0 HA THR A 44 -5.196 7.910 11.408 1.00 0.25 H new ATOM 0 HB THR A 44 -7.176 9.429 11.164 1.00 0.27 H new ATOM 0 HG1 THR A 44 -7.038 10.991 9.447 1.00 0.23 H new ATOM 0 HG21 THR A 44 -5.894 11.522 11.505 1.00 0.31 H new ATOM 0 HG22 THR A 44 -5.134 10.159 12.359 1.00 0.31 H new ATOM 0 HG23 THR A 44 -4.444 10.745 10.827 1.00 0.31 H new ATOM 666 N GLU A 45 -7.523 6.915 10.443 1.00 0.33 N ATOM 667 CA GLU A 45 -8.478 5.931 9.865 1.00 0.32 C ATOM 668 C GLU A 45 -9.155 6.528 8.630 1.00 0.26 C ATOM 669 O GLU A 45 -9.325 5.864 7.626 1.00 0.21 O ATOM 670 CB GLU A 45 -9.537 5.593 10.910 1.00 0.41 C ATOM 671 CG GLU A 45 -8.900 4.785 12.042 1.00 0.59 C ATOM 672 CD GLU A 45 -8.634 3.357 11.561 1.00 0.93 C ATOM 673 OE1 GLU A 45 -9.550 2.748 11.035 1.00 1.38 O ATOM 674 OE2 GLU A 45 -7.515 2.900 11.727 1.00 1.85 O ATOM 0 H GLU A 45 -7.775 7.275 11.363 1.00 0.33 H new ATOM 0 HA GLU A 45 -7.940 5.028 9.576 1.00 0.32 H new ATOM 0 HB2 GLU A 45 -9.977 6.508 11.306 1.00 0.41 H new ATOM 0 HB3 GLU A 45 -10.345 5.023 10.452 1.00 0.41 H new ATOM 0 HG2 GLU A 45 -7.968 5.253 12.358 1.00 0.59 H new ATOM 0 HG3 GLU A 45 -9.560 4.771 12.909 1.00 0.59 H new ATOM 681 N ALA A 46 -9.548 7.769 8.692 1.00 0.26 N ATOM 682 CA ALA A 46 -10.216 8.386 7.515 1.00 0.22 C ATOM 683 C ALA A 46 -9.232 8.434 6.346 1.00 0.15 C ATOM 684 O ALA A 46 -9.601 8.210 5.210 1.00 0.12 O ATOM 685 CB ALA A 46 -10.685 9.801 7.869 1.00 0.27 C ATOM 0 H ALA A 46 -9.436 8.379 9.502 1.00 0.26 H new ATOM 0 HA ALA A 46 -11.084 7.790 7.231 1.00 0.22 H new ATOM 0 HB1 ALA A 46 -11.174 10.249 7.004 1.00 0.27 H new ATOM 0 HB2 ALA A 46 -11.389 9.754 8.700 1.00 0.27 H new ATOM 0 HB3 ALA A 46 -9.826 10.408 8.155 1.00 0.27 H new ATOM 691 N GLU A 47 -7.984 8.704 6.607 1.00 0.12 N ATOM 692 CA GLU A 47 -6.999 8.735 5.493 1.00 0.06 C ATOM 693 C GLU A 47 -6.968 7.348 4.856 1.00 0.04 C ATOM 694 O GLU A 47 -6.876 7.205 3.653 1.00 0.08 O ATOM 695 CB GLU A 47 -5.607 9.082 6.032 1.00 0.07 C ATOM 696 CG GLU A 47 -5.534 10.579 6.344 1.00 0.10 C ATOM 697 CD GLU A 47 -4.125 10.930 6.826 1.00 0.20 C ATOM 698 OE1 GLU A 47 -3.265 11.127 5.982 1.00 0.64 O ATOM 699 OE2 GLU A 47 -3.931 10.994 8.027 1.00 0.23 O ATOM 0 H GLU A 47 -7.607 8.903 7.534 1.00 0.12 H new ATOM 0 HA GLU A 47 -7.285 9.489 4.760 1.00 0.06 H new ATOM 0 HB2 GLU A 47 -5.400 8.503 6.932 1.00 0.07 H new ATOM 0 HB3 GLU A 47 -4.846 8.816 5.299 1.00 0.07 H new ATOM 0 HG2 GLU A 47 -5.781 11.159 5.455 1.00 0.10 H new ATOM 0 HG3 GLU A 47 -6.267 10.839 7.108 1.00 0.10 H new ATOM 706 N LEU A 48 -7.048 6.323 5.663 1.00 0.09 N ATOM 707 CA LEU A 48 -7.028 4.938 5.118 1.00 0.15 C ATOM 708 C LEU A 48 -8.349 4.642 4.393 1.00 0.16 C ATOM 709 O LEU A 48 -8.361 4.090 3.313 1.00 0.22 O ATOM 710 CB LEU A 48 -6.850 3.944 6.273 1.00 0.23 C ATOM 711 CG LEU A 48 -5.382 3.910 6.729 1.00 0.24 C ATOM 712 CD1 LEU A 48 -5.278 3.070 8.012 1.00 0.24 C ATOM 713 CD2 LEU A 48 -4.484 3.295 5.632 1.00 0.20 C ATOM 0 H LEU A 48 -7.126 6.388 6.678 1.00 0.09 H new ATOM 0 HA LEU A 48 -6.202 4.840 4.413 1.00 0.15 H new ATOM 0 HB2 LEU A 48 -7.490 4.228 7.108 1.00 0.23 H new ATOM 0 HB3 LEU A 48 -7.162 2.949 5.956 1.00 0.23 H new ATOM 0 HG LEU A 48 -5.044 4.929 6.919 1.00 0.24 H new ATOM 0 HD11 LEU A 48 -4.240 3.040 8.344 1.00 0.24 H new ATOM 0 HD12 LEU A 48 -5.895 3.518 8.791 1.00 0.24 H new ATOM 0 HD13 LEU A 48 -5.625 2.056 7.812 1.00 0.24 H new ATOM 0 HD21 LEU A 48 -3.449 3.280 5.975 1.00 0.20 H new ATOM 0 HD22 LEU A 48 -4.811 2.277 5.422 1.00 0.20 H new ATOM 0 HD23 LEU A 48 -4.557 3.894 4.724 1.00 0.20 H new ATOM 725 N GLN A 49 -9.460 4.985 4.989 1.00 0.15 N ATOM 726 CA GLN A 49 -10.773 4.695 4.338 1.00 0.15 C ATOM 727 C GLN A 49 -10.942 5.536 3.071 1.00 0.10 C ATOM 728 O GLN A 49 -11.687 5.183 2.179 1.00 0.10 O ATOM 729 CB GLN A 49 -11.906 5.024 5.316 1.00 0.16 C ATOM 730 CG GLN A 49 -12.001 3.934 6.387 1.00 0.20 C ATOM 731 CD GLN A 49 -12.617 2.673 5.780 1.00 0.76 C ATOM 732 OE1 GLN A 49 -13.078 2.689 4.655 1.00 1.43 O ATOM 733 NE2 GLN A 49 -12.645 1.574 6.481 1.00 1.50 N ATOM 0 H GLN A 49 -9.516 5.451 5.894 1.00 0.15 H new ATOM 0 HA GLN A 49 -10.805 3.640 4.067 1.00 0.15 H new ATOM 0 HB2 GLN A 49 -11.725 5.992 5.784 1.00 0.16 H new ATOM 0 HB3 GLN A 49 -12.851 5.102 4.779 1.00 0.16 H new ATOM 0 HG2 GLN A 49 -11.010 3.712 6.784 1.00 0.20 H new ATOM 0 HG3 GLN A 49 -12.609 4.282 7.222 1.00 0.20 H new ATOM 0 HE21 GLN A 49 -12.258 1.561 7.425 1.00 1.50 H new ATOM 0 HE22 GLN A 49 -13.054 0.727 6.086 1.00 1.50 H new ATOM 742 N ASP A 50 -10.268 6.644 2.982 1.00 0.09 N ATOM 743 CA ASP A 50 -10.411 7.497 1.768 1.00 0.07 C ATOM 744 C ASP A 50 -9.723 6.815 0.591 1.00 0.14 C ATOM 745 O ASP A 50 -10.242 6.776 -0.509 1.00 0.10 O ATOM 746 CB ASP A 50 -9.769 8.865 2.020 1.00 0.06 C ATOM 747 CG ASP A 50 -10.131 9.819 0.879 1.00 1.17 C ATOM 748 OD1 ASP A 50 -9.437 9.802 -0.125 1.00 2.35 O ATOM 749 OD2 ASP A 50 -11.094 10.554 1.029 1.00 1.35 O ATOM 0 H ASP A 50 -9.626 6.997 3.692 1.00 0.09 H new ATOM 0 HA ASP A 50 -11.468 7.636 1.542 1.00 0.07 H new ATOM 0 HB2 ASP A 50 -10.115 9.271 2.971 1.00 0.06 H new ATOM 0 HB3 ASP A 50 -8.686 8.762 2.092 1.00 0.06 H new ATOM 890 N GLY A 61 -12.093 -5.747 -2.911 1.00 0.40 N ATOM 891 CA GLY A 61 -11.616 -5.430 -1.532 1.00 0.38 C ATOM 892 C GLY A 61 -10.149 -5.851 -1.360 1.00 0.28 C ATOM 893 O GLY A 61 -9.752 -6.298 -0.300 1.00 0.25 O ATOM 0 HA2 GLY A 61 -11.718 -4.362 -1.342 1.00 0.38 H new ATOM 0 HA3 GLY A 61 -12.237 -5.945 -0.799 1.00 0.38 H new ATOM 897 N THR A 62 -9.338 -5.716 -2.382 1.00 0.25 N ATOM 898 CA THR A 62 -7.896 -6.111 -2.272 1.00 0.23 C ATOM 899 C THR A 62 -7.025 -5.070 -2.985 1.00 0.24 C ATOM 900 O THR A 62 -7.522 -4.162 -3.621 1.00 0.29 O ATOM 901 CB THR A 62 -7.691 -7.471 -2.938 1.00 0.28 C ATOM 902 OG1 THR A 62 -8.268 -7.450 -4.237 1.00 0.33 O ATOM 903 CG2 THR A 62 -8.360 -8.560 -2.100 1.00 0.40 C ATOM 0 H THR A 62 -9.614 -5.347 -3.292 1.00 0.25 H new ATOM 0 HA THR A 62 -7.616 -6.168 -1.220 1.00 0.23 H new ATOM 0 HB THR A 62 -6.624 -7.681 -3.015 1.00 0.28 H new ATOM 0 HG1 THR A 62 -8.137 -8.321 -4.667 1.00 0.33 H new ATOM 0 HG21 THR A 62 -8.212 -9.529 -2.577 1.00 0.40 H new ATOM 0 HG22 THR A 62 -7.918 -8.575 -1.104 1.00 0.40 H new ATOM 0 HG23 THR A 62 -9.427 -8.354 -2.021 1.00 0.40 H new ATOM 911 N ILE A 63 -5.726 -5.198 -2.885 1.00 0.20 N ATOM 912 CA ILE A 63 -4.805 -4.226 -3.554 1.00 0.22 C ATOM 913 C ILE A 63 -3.621 -5.000 -4.141 1.00 0.21 C ATOM 914 O ILE A 63 -3.080 -5.883 -3.509 1.00 0.20 O ATOM 915 CB ILE A 63 -4.295 -3.219 -2.512 1.00 0.19 C ATOM 916 CG1 ILE A 63 -5.444 -2.883 -1.545 1.00 0.21 C ATOM 917 CG2 ILE A 63 -3.791 -1.939 -3.204 1.00 0.23 C ATOM 918 CD1 ILE A 63 -5.019 -1.780 -0.575 1.00 0.20 C ATOM 0 H ILE A 63 -5.259 -5.940 -2.364 1.00 0.20 H new ATOM 0 HA ILE A 63 -5.329 -3.692 -4.347 1.00 0.22 H new ATOM 0 HB ILE A 63 -3.463 -3.655 -1.959 1.00 0.19 H new ATOM 0 HG12 ILE A 63 -6.320 -2.563 -2.109 1.00 0.21 H new ATOM 0 HG13 ILE A 63 -5.732 -3.775 -0.988 1.00 0.21 H new ATOM 0 HG21 ILE A 63 -3.433 -1.236 -2.452 1.00 0.23 H new ATOM 0 HG22 ILE A 63 -2.976 -2.189 -3.884 1.00 0.23 H new ATOM 0 HG23 ILE A 63 -4.606 -1.485 -3.767 1.00 0.23 H new ATOM 0 HD11 ILE A 63 -5.843 -1.554 0.102 1.00 0.20 H new ATOM 0 HD12 ILE A 63 -4.157 -2.115 0.001 1.00 0.20 H new ATOM 0 HD13 ILE A 63 -4.754 -0.884 -1.136 1.00 0.20 H new ATOM 930 N ASP A 64 -3.213 -4.672 -5.338 1.00 0.24 N ATOM 931 CA ASP A 64 -2.051 -5.376 -5.973 1.00 0.26 C ATOM 932 C ASP A 64 -0.802 -4.474 -5.851 1.00 0.24 C ATOM 933 O ASP A 64 -0.907 -3.315 -5.509 1.00 0.22 O ATOM 934 CB ASP A 64 -2.387 -5.675 -7.441 1.00 0.30 C ATOM 935 CG ASP A 64 -2.555 -4.368 -8.219 1.00 0.32 C ATOM 936 OD1 ASP A 64 -2.306 -3.322 -7.646 1.00 0.36 O ATOM 937 OD2 ASP A 64 -2.929 -4.437 -9.377 1.00 0.31 O ATOM 0 H ASP A 64 -3.636 -3.941 -5.911 1.00 0.24 H new ATOM 0 HA ASP A 64 -1.846 -6.323 -5.473 1.00 0.26 H new ATOM 0 HB2 ASP A 64 -1.594 -6.274 -7.889 1.00 0.30 H new ATOM 0 HB3 ASP A 64 -3.303 -6.263 -7.500 1.00 0.30 H new ATOM 942 N PHE A 65 0.375 -5.003 -6.086 1.00 0.25 N ATOM 943 CA PHE A 65 1.620 -4.171 -5.930 1.00 0.24 C ATOM 944 C PHE A 65 1.677 -2.961 -6.897 1.00 0.22 C ATOM 945 O PHE A 65 2.043 -1.891 -6.454 1.00 0.18 O ATOM 946 CB PHE A 65 2.882 -5.053 -6.069 1.00 0.25 C ATOM 947 CG PHE A 65 4.116 -4.261 -5.669 1.00 0.25 C ATOM 948 CD1 PHE A 65 4.263 -3.794 -4.353 1.00 0.59 C ATOM 949 CD2 PHE A 65 5.120 -4.003 -6.617 1.00 0.68 C ATOM 950 CE1 PHE A 65 5.405 -3.069 -3.992 1.00 0.55 C ATOM 951 CE2 PHE A 65 6.259 -3.277 -6.249 1.00 0.71 C ATOM 952 CZ PHE A 65 6.402 -2.811 -4.939 1.00 0.27 C ATOM 0 H PHE A 65 0.532 -5.968 -6.377 1.00 0.25 H new ATOM 0 HA PHE A 65 1.588 -3.750 -4.925 1.00 0.24 H new ATOM 0 HB2 PHE A 65 2.788 -5.938 -5.440 1.00 0.25 H new ATOM 0 HB3 PHE A 65 2.981 -5.401 -7.097 1.00 0.25 H new ATOM 0 HD1 PHE A 65 3.496 -3.994 -3.620 1.00 0.59 H new ATOM 0 HD2 PHE A 65 5.013 -4.364 -7.629 1.00 0.68 H new ATOM 0 HE1 PHE A 65 5.517 -2.708 -2.980 1.00 0.55 H new ATOM 0 HE2 PHE A 65 7.029 -3.076 -6.979 1.00 0.71 H new ATOM 0 HZ PHE A 65 7.282 -2.252 -4.658 1.00 0.27 H new ATOM 962 N PRO A 66 1.328 -3.102 -8.168 1.00 0.25 N ATOM 963 CA PRO A 66 1.384 -1.936 -9.074 1.00 0.23 C ATOM 964 C PRO A 66 0.564 -0.780 -8.479 1.00 0.20 C ATOM 965 O PRO A 66 1.046 0.327 -8.343 1.00 0.17 O ATOM 966 CB PRO A 66 0.794 -2.434 -10.413 1.00 0.25 C ATOM 967 CG PRO A 66 0.515 -3.956 -10.259 1.00 0.29 C ATOM 968 CD PRO A 66 0.868 -4.353 -8.806 1.00 0.30 C ATOM 0 HA PRO A 66 2.395 -1.555 -9.216 1.00 0.23 H new ATOM 0 HB2 PRO A 66 -0.124 -1.897 -10.651 1.00 0.25 H new ATOM 0 HB3 PRO A 66 1.491 -2.252 -11.231 1.00 0.25 H new ATOM 0 HG2 PRO A 66 -0.531 -4.177 -10.473 1.00 0.29 H new ATOM 0 HG3 PRO A 66 1.113 -4.528 -10.968 1.00 0.29 H new ATOM 0 HD2 PRO A 66 0.002 -4.765 -8.288 1.00 0.30 H new ATOM 0 HD3 PRO A 66 1.646 -5.117 -8.783 1.00 0.30 H new ATOM 976 N GLU A 67 -0.667 -1.029 -8.116 1.00 0.22 N ATOM 977 CA GLU A 67 -1.498 0.057 -7.526 1.00 0.21 C ATOM 978 C GLU A 67 -0.882 0.499 -6.199 1.00 0.18 C ATOM 979 O GLU A 67 -0.950 1.655 -5.831 1.00 0.15 O ATOM 980 CB GLU A 67 -2.928 -0.444 -7.299 1.00 0.26 C ATOM 981 CG GLU A 67 -3.549 -0.841 -8.641 1.00 0.21 C ATOM 982 CD GLU A 67 -4.804 -1.680 -8.396 1.00 0.20 C ATOM 983 OE1 GLU A 67 -4.764 -2.531 -7.523 1.00 0.23 O ATOM 984 OE2 GLU A 67 -5.785 -1.458 -9.088 1.00 0.22 O ATOM 0 H GLU A 67 -1.130 -1.934 -8.203 1.00 0.22 H new ATOM 0 HA GLU A 67 -1.529 0.904 -8.211 1.00 0.21 H new ATOM 0 HB2 GLU A 67 -2.922 -1.298 -6.622 1.00 0.26 H new ATOM 0 HB3 GLU A 67 -3.526 0.334 -6.825 1.00 0.26 H new ATOM 0 HG2 GLU A 67 -3.802 0.051 -9.215 1.00 0.21 H new ATOM 0 HG3 GLU A 67 -2.830 -1.408 -9.233 1.00 0.21 H new ATOM 991 N PHE A 68 -0.268 -0.403 -5.479 1.00 0.21 N ATOM 992 CA PHE A 68 0.357 -0.003 -4.191 1.00 0.19 C ATOM 993 C PHE A 68 1.446 1.027 -4.490 1.00 0.16 C ATOM 994 O PHE A 68 1.655 1.961 -3.741 1.00 0.13 O ATOM 995 CB PHE A 68 0.971 -1.218 -3.479 1.00 0.21 C ATOM 996 CG PHE A 68 1.434 -0.806 -2.100 1.00 0.17 C ATOM 997 CD1 PHE A 68 0.523 -0.782 -1.036 1.00 0.15 C ATOM 998 CD2 PHE A 68 2.769 -0.441 -1.886 1.00 0.17 C ATOM 999 CE1 PHE A 68 0.948 -0.396 0.241 1.00 0.12 C ATOM 1000 CE2 PHE A 68 3.189 -0.051 -0.607 1.00 0.15 C ATOM 1001 CZ PHE A 68 2.279 -0.030 0.455 1.00 0.12 C ATOM 0 H PHE A 68 -0.174 -1.388 -5.726 1.00 0.21 H new ATOM 0 HA PHE A 68 -0.402 0.421 -3.534 1.00 0.19 H new ATOM 0 HB2 PHE A 68 0.237 -2.020 -3.404 1.00 0.21 H new ATOM 0 HB3 PHE A 68 1.810 -1.607 -4.056 1.00 0.21 H new ATOM 0 HD1 PHE A 68 -0.507 -1.061 -1.201 1.00 0.15 H new ATOM 0 HD2 PHE A 68 3.473 -0.460 -2.705 1.00 0.17 H new ATOM 0 HE1 PHE A 68 0.246 -0.381 1.062 1.00 0.12 H new ATOM 0 HE2 PHE A 68 4.217 0.234 -0.441 1.00 0.15 H new ATOM 0 HZ PHE A 68 2.605 0.269 1.440 1.00 0.12 H new ATOM 1011 N LEU A 69 2.132 0.873 -5.594 1.00 0.18 N ATOM 1012 CA LEU A 69 3.195 1.855 -5.948 1.00 0.15 C ATOM 1013 C LEU A 69 2.546 3.202 -6.277 1.00 0.11 C ATOM 1014 O LEU A 69 3.148 4.245 -6.115 1.00 0.09 O ATOM 1015 CB LEU A 69 3.977 1.368 -7.177 1.00 0.19 C ATOM 1016 CG LEU A 69 4.857 0.167 -6.818 1.00 0.16 C ATOM 1017 CD1 LEU A 69 5.522 -0.352 -8.099 1.00 0.28 C ATOM 1018 CD2 LEU A 69 5.943 0.576 -5.805 1.00 0.21 C ATOM 0 H LEU A 69 2.001 0.113 -6.261 1.00 0.18 H new ATOM 0 HA LEU A 69 3.877 1.960 -5.104 1.00 0.15 H new ATOM 0 HB2 LEU A 69 3.282 1.092 -7.970 1.00 0.19 H new ATOM 0 HB3 LEU A 69 4.597 2.177 -7.564 1.00 0.19 H new ATOM 0 HG LEU A 69 4.240 -0.611 -6.368 1.00 0.16 H new ATOM 0 HD11 LEU A 69 6.153 -1.208 -7.860 1.00 0.28 H new ATOM 0 HD12 LEU A 69 4.754 -0.654 -8.811 1.00 0.28 H new ATOM 0 HD13 LEU A 69 6.133 0.437 -8.538 1.00 0.28 H new ATOM 0 HD21 LEU A 69 6.558 -0.290 -5.562 1.00 0.21 H new ATOM 0 HD22 LEU A 69 6.569 1.356 -6.238 1.00 0.21 H new ATOM 0 HD23 LEU A 69 5.471 0.952 -4.897 1.00 0.21 H new ATOM 1030 N THR A 70 1.326 3.193 -6.741 1.00 0.13 N ATOM 1031 CA THR A 70 0.653 4.480 -7.078 1.00 0.13 C ATOM 1032 C THR A 70 0.292 5.212 -5.786 1.00 0.11 C ATOM 1033 O THR A 70 0.217 6.424 -5.747 1.00 0.13 O ATOM 1034 CB THR A 70 -0.614 4.205 -7.903 1.00 0.20 C ATOM 1035 OG1 THR A 70 -0.242 3.708 -9.183 1.00 0.27 O ATOM 1036 CG2 THR A 70 -1.411 5.502 -8.072 1.00 0.26 C ATOM 0 H THR A 70 0.768 2.354 -6.901 1.00 0.13 H new ATOM 0 HA THR A 70 1.326 5.102 -7.668 1.00 0.13 H new ATOM 0 HB THR A 70 -1.230 3.468 -7.388 1.00 0.20 H new ATOM 0 HG1 THR A 70 -1.048 3.530 -9.712 1.00 0.27 H new ATOM 0 HG21 THR A 70 -2.309 5.304 -8.657 1.00 0.26 H new ATOM 0 HG22 THR A 70 -1.694 5.885 -7.092 1.00 0.26 H new ATOM 0 HG23 THR A 70 -0.798 6.241 -8.587 1.00 0.26 H new ATOM 1044 N MET A 71 0.079 4.485 -4.725 1.00 0.09 N ATOM 1045 CA MET A 71 -0.262 5.151 -3.433 1.00 0.12 C ATOM 1046 C MET A 71 1.009 5.755 -2.828 1.00 0.14 C ATOM 1047 O MET A 71 1.006 6.863 -2.329 1.00 0.19 O ATOM 1048 CB MET A 71 -0.868 4.135 -2.446 1.00 0.14 C ATOM 1049 CG MET A 71 -2.253 3.641 -2.945 1.00 0.87 C ATOM 1050 SD MET A 71 -3.487 3.804 -1.618 1.00 1.16 S ATOM 1051 CE MET A 71 -3.813 2.044 -1.337 1.00 0.37 C ATOM 0 H MET A 71 0.125 3.467 -4.694 1.00 0.09 H new ATOM 0 HA MET A 71 -0.995 5.935 -3.621 1.00 0.12 H new ATOM 0 HB2 MET A 71 -0.194 3.286 -2.331 1.00 0.14 H new ATOM 0 HB3 MET A 71 -0.973 4.594 -1.463 1.00 0.14 H new ATOM 0 HG2 MET A 71 -2.563 4.220 -3.815 1.00 0.87 H new ATOM 0 HG3 MET A 71 -2.184 2.601 -3.263 1.00 0.87 H new ATOM 0 HE1 MET A 71 -4.717 1.932 -0.738 1.00 0.37 H new ATOM 0 HE2 MET A 71 -3.948 1.542 -2.295 1.00 0.37 H new ATOM 0 HE3 MET A 71 -2.970 1.598 -0.809 1.00 0.37 H new ATOM 1061 N MET A 72 2.100 5.035 -2.873 1.00 0.11 N ATOM 1062 CA MET A 72 3.369 5.567 -2.308 1.00 0.16 C ATOM 1063 C MET A 72 3.833 6.772 -3.129 1.00 0.15 C ATOM 1064 O MET A 72 4.399 7.709 -2.603 1.00 0.23 O ATOM 1065 CB MET A 72 4.447 4.477 -2.352 1.00 0.17 C ATOM 1066 CG MET A 72 3.956 3.231 -1.605 1.00 0.31 C ATOM 1067 SD MET A 72 3.611 3.644 0.125 1.00 0.50 S ATOM 1068 CE MET A 72 5.300 4.082 0.606 1.00 0.26 C ATOM 0 H MET A 72 2.164 4.101 -3.278 1.00 0.11 H new ATOM 0 HA MET A 72 3.202 5.874 -1.276 1.00 0.16 H new ATOM 0 HB2 MET A 72 4.680 4.224 -3.386 1.00 0.17 H new ATOM 0 HB3 MET A 72 5.368 4.845 -1.899 1.00 0.17 H new ATOM 0 HG2 MET A 72 3.056 2.842 -2.081 1.00 0.31 H new ATOM 0 HG3 MET A 72 4.709 2.445 -1.657 1.00 0.31 H new ATOM 0 HE1 MET A 72 5.415 3.959 1.683 1.00 0.26 H new ATOM 0 HE2 MET A 72 6.006 3.432 0.089 1.00 0.26 H new ATOM 0 HE3 MET A 72 5.498 5.119 0.336 1.00 0.26 H new ATOM 1078 N ALA A 73 3.603 6.763 -4.417 1.00 0.10 N ATOM 1079 CA ALA A 73 4.044 7.915 -5.245 1.00 0.16 C ATOM 1080 C ALA A 73 3.223 9.152 -4.869 1.00 0.31 C ATOM 1081 O ALA A 73 3.725 10.259 -4.854 1.00 0.42 O ATOM 1082 CB ALA A 73 3.859 7.589 -6.734 1.00 0.22 C ATOM 0 H ALA A 73 3.133 6.013 -4.924 1.00 0.10 H new ATOM 0 HA ALA A 73 5.100 8.114 -5.060 1.00 0.16 H new ATOM 0 HB1 ALA A 73 4.184 8.438 -7.335 1.00 0.22 H new ATOM 0 HB2 ALA A 73 4.454 6.713 -6.991 1.00 0.22 H new ATOM 0 HB3 ALA A 73 2.807 7.385 -6.934 1.00 0.22 H new ATOM 1222 N GLU A 82 13.554 14.697 3.684 1.00 0.67 N ATOM 1223 CA GLU A 82 14.231 15.935 4.139 1.00 0.56 C ATOM 1224 C GLU A 82 13.535 16.465 5.398 1.00 0.50 C ATOM 1225 O GLU A 82 14.164 16.978 6.302 1.00 0.47 O ATOM 1226 CB GLU A 82 14.136 16.963 3.000 1.00 0.66 C ATOM 1227 CG GLU A 82 15.349 16.835 2.074 1.00 0.74 C ATOM 1228 CD GLU A 82 15.214 17.830 0.920 1.00 0.85 C ATOM 1229 OE1 GLU A 82 14.889 18.977 1.186 1.00 1.33 O ATOM 1230 OE2 GLU A 82 15.431 17.429 -0.213 1.00 1.32 O ATOM 0 HA GLU A 82 15.276 15.742 4.382 1.00 0.56 H new ATOM 0 HB2 GLU A 82 13.218 16.806 2.434 1.00 0.66 H new ATOM 0 HB3 GLU A 82 14.088 17.971 3.412 1.00 0.66 H new ATOM 0 HG2 GLU A 82 16.267 17.028 2.630 1.00 0.74 H new ATOM 0 HG3 GLU A 82 15.419 15.819 1.686 1.00 0.74 H new ATOM 1237 N GLU A 83 12.245 16.342 5.455 1.00 0.49 N ATOM 1238 CA GLU A 83 11.488 16.834 6.643 1.00 0.44 C ATOM 1239 C GLU A 83 11.828 15.971 7.862 1.00 0.38 C ATOM 1240 O GLU A 83 11.624 16.367 8.993 1.00 0.33 O ATOM 1241 CB GLU A 83 9.977 16.767 6.352 1.00 0.46 C ATOM 1242 CG GLU A 83 9.545 18.005 5.555 1.00 1.05 C ATOM 1243 CD GLU A 83 9.505 19.222 6.482 1.00 2.40 C ATOM 1244 OE1 GLU A 83 9.695 19.042 7.673 1.00 3.01 O ATOM 1245 OE2 GLU A 83 9.287 20.313 5.985 1.00 3.28 O ATOM 0 H GLU A 83 11.672 15.918 4.725 1.00 0.49 H new ATOM 0 HA GLU A 83 11.766 17.867 6.852 1.00 0.44 H new ATOM 0 HB2 GLU A 83 9.746 15.862 5.790 1.00 0.46 H new ATOM 0 HB3 GLU A 83 9.419 16.713 7.287 1.00 0.46 H new ATOM 0 HG2 GLU A 83 10.240 18.183 4.734 1.00 1.05 H new ATOM 0 HG3 GLU A 83 8.563 17.840 5.111 1.00 1.05 H new ATOM 1252 N GLU A 84 12.338 14.794 7.640 1.00 0.40 N ATOM 1253 CA GLU A 84 12.688 13.900 8.780 1.00 0.36 C ATOM 1254 C GLU A 84 14.056 14.282 9.343 1.00 0.31 C ATOM 1255 O GLU A 84 14.230 14.437 10.536 1.00 0.38 O ATOM 1256 CB GLU A 84 12.724 12.448 8.295 1.00 0.41 C ATOM 1257 CG GLU A 84 11.330 12.035 7.814 1.00 0.58 C ATOM 1258 CD GLU A 84 10.372 11.978 9.004 1.00 1.37 C ATOM 1259 OE1 GLU A 84 10.322 10.945 9.653 1.00 1.07 O ATOM 1260 OE2 GLU A 84 9.704 12.968 9.249 1.00 2.77 O ATOM 0 H GLU A 84 12.529 14.410 6.715 1.00 0.40 H new ATOM 0 HA GLU A 84 11.937 14.008 9.563 1.00 0.36 H new ATOM 0 HB2 GLU A 84 13.446 12.342 7.485 1.00 0.41 H new ATOM 0 HB3 GLU A 84 13.051 11.792 9.102 1.00 0.41 H new ATOM 0 HG2 GLU A 84 10.964 12.747 7.074 1.00 0.58 H new ATOM 0 HG3 GLU A 84 11.377 11.062 7.325 1.00 0.58 H new ATOM 1267 N ILE A 85 15.024 14.432 8.493 1.00 0.20 N ATOM 1268 CA ILE A 85 16.388 14.801 8.973 1.00 0.15 C ATOM 1269 C ILE A 85 16.361 16.219 9.561 1.00 0.11 C ATOM 1270 O ILE A 85 17.027 16.503 10.537 1.00 0.09 O ATOM 1271 CB ILE A 85 17.394 14.721 7.802 1.00 0.16 C ATOM 1272 CG1 ILE A 85 17.821 13.258 7.585 1.00 0.15 C ATOM 1273 CG2 ILE A 85 18.632 15.571 8.126 1.00 0.18 C ATOM 1274 CD1 ILE A 85 18.708 13.161 6.341 1.00 0.20 C ATOM 0 H ILE A 85 14.935 14.316 7.483 1.00 0.20 H new ATOM 0 HA ILE A 85 16.701 14.104 9.750 1.00 0.15 H new ATOM 0 HB ILE A 85 16.920 15.099 6.896 1.00 0.16 H new ATOM 0 HG12 ILE A 85 18.361 12.893 8.459 1.00 0.15 H new ATOM 0 HG13 ILE A 85 16.941 12.625 7.467 1.00 0.15 H new ATOM 0 HG21 ILE A 85 19.340 15.513 7.299 1.00 0.18 H new ATOM 0 HG22 ILE A 85 18.332 16.608 8.275 1.00 0.18 H new ATOM 0 HG23 ILE A 85 19.104 15.196 9.034 1.00 0.18 H new ATOM 0 HD11 ILE A 85 19.009 12.125 6.189 1.00 0.20 H new ATOM 0 HD12 ILE A 85 18.153 13.509 5.470 1.00 0.20 H new ATOM 0 HD13 ILE A 85 19.595 13.780 6.477 1.00 0.20 H new ATOM 1286 N ARG A 86 15.613 17.115 8.980 1.00 0.16 N ATOM 1287 CA ARG A 86 15.577 18.502 9.526 1.00 0.17 C ATOM 1288 C ARG A 86 14.953 18.483 10.920 1.00 0.17 C ATOM 1289 O ARG A 86 15.530 18.961 11.875 1.00 0.31 O ATOM 1290 CB ARG A 86 14.732 19.398 8.618 1.00 0.30 C ATOM 1291 CG ARG A 86 15.508 19.727 7.339 1.00 1.40 C ATOM 1292 CD ARG A 86 14.721 20.746 6.493 1.00 1.29 C ATOM 1293 NE ARG A 86 14.927 20.456 5.038 1.00 2.27 N ATOM 1294 CZ ARG A 86 16.123 20.269 4.547 1.00 3.20 C ATOM 1295 NH1 ARG A 86 17.182 20.505 5.273 1.00 3.73 N ATOM 1296 NH2 ARG A 86 16.260 19.894 3.305 1.00 4.00 N ATOM 0 H ARG A 86 15.030 16.951 8.159 1.00 0.16 H new ATOM 0 HA ARG A 86 16.594 18.890 9.577 1.00 0.17 H new ATOM 0 HB2 ARG A 86 13.797 18.897 8.367 1.00 0.30 H new ATOM 0 HB3 ARG A 86 14.471 20.318 9.142 1.00 0.30 H new ATOM 0 HG2 ARG A 86 16.488 20.132 7.592 1.00 1.40 H new ATOM 0 HG3 ARG A 86 15.678 18.818 6.763 1.00 1.40 H new ATOM 0 HD2 ARG A 86 13.660 20.695 6.738 1.00 1.29 H new ATOM 0 HD3 ARG A 86 15.053 21.758 6.723 1.00 1.29 H new ATOM 0 HE ARG A 86 14.118 20.404 4.419 1.00 2.27 H new ATOM 0 HH11 ARG A 86 17.079 20.838 6.232 1.00 3.73 H new ATOM 0 HH12 ARG A 86 18.112 20.356 4.882 1.00 3.73 H new ATOM 0 HH21 ARG A 86 15.436 19.748 2.722 1.00 4.00 H new ATOM 0 HH22 ARG A 86 17.192 19.747 2.917 1.00 4.00 H new ATOM 1310 N GLU A 87 13.769 17.942 11.049 1.00 0.28 N ATOM 1311 CA GLU A 87 13.118 17.912 12.384 1.00 0.25 C ATOM 1312 C GLU A 87 14.067 17.270 13.393 1.00 0.16 C ATOM 1313 O GLU A 87 13.974 17.512 14.578 1.00 0.15 O ATOM 1314 CB GLU A 87 11.789 17.145 12.317 1.00 0.30 C ATOM 1315 CG GLU A 87 10.801 17.926 11.448 1.00 0.35 C ATOM 1316 CD GLU A 87 9.567 17.065 11.177 1.00 0.73 C ATOM 1317 OE1 GLU A 87 9.656 16.182 10.338 1.00 1.59 O ATOM 1318 OE2 GLU A 87 8.551 17.301 11.812 1.00 1.02 O ATOM 0 H GLU A 87 13.231 17.523 10.290 1.00 0.28 H new ATOM 0 HA GLU A 87 12.898 18.931 12.703 1.00 0.25 H new ATOM 0 HB2 GLU A 87 11.950 16.150 11.901 1.00 0.30 H new ATOM 0 HB3 GLU A 87 11.382 17.010 13.319 1.00 0.30 H new ATOM 0 HG2 GLU A 87 10.510 18.849 11.950 1.00 0.35 H new ATOM 0 HG3 GLU A 87 11.273 18.210 10.507 1.00 0.35 H new ATOM 1325 N ALA A 88 15.011 16.484 12.939 1.00 0.13 N ATOM 1326 CA ALA A 88 15.976 15.891 13.895 1.00 0.09 C ATOM 1327 C ALA A 88 17.004 16.967 14.201 1.00 0.09 C ATOM 1328 O ALA A 88 17.297 17.269 15.332 1.00 0.08 O ATOM 1329 CB ALA A 88 16.674 14.680 13.277 1.00 0.17 C ATOM 0 H ALA A 88 15.149 16.234 11.960 1.00 0.13 H new ATOM 0 HA ALA A 88 15.463 15.555 14.796 1.00 0.09 H new ATOM 0 HB1 ALA A 88 17.378 14.260 13.995 1.00 0.17 H new ATOM 0 HB2 ALA A 88 15.931 13.927 13.014 1.00 0.17 H new ATOM 0 HB3 ALA A 88 17.211 14.988 12.380 1.00 0.17 H new ATOM 1335 N PHE A 89 17.534 17.580 13.189 1.00 0.10 N ATOM 1336 CA PHE A 89 18.515 18.657 13.437 1.00 0.11 C ATOM 1337 C PHE A 89 17.818 19.727 14.284 1.00 0.14 C ATOM 1338 O PHE A 89 18.452 20.462 15.013 1.00 0.16 O ATOM 1339 CB PHE A 89 19.001 19.242 12.098 1.00 0.11 C ATOM 1340 CG PHE A 89 20.157 18.413 11.564 1.00 0.09 C ATOM 1341 CD1 PHE A 89 21.372 18.377 12.263 1.00 0.09 C ATOM 1342 CD2 PHE A 89 20.015 17.661 10.377 1.00 0.13 C ATOM 1343 CE1 PHE A 89 22.427 17.612 11.779 1.00 0.12 C ATOM 1344 CE2 PHE A 89 21.097 16.887 9.905 1.00 0.14 C ATOM 1345 CZ PHE A 89 22.302 16.877 10.621 1.00 0.13 C ATOM 0 H PHE A 89 17.332 17.383 12.209 1.00 0.10 H new ATOM 0 HA PHE A 89 19.390 18.277 13.965 1.00 0.11 H new ATOM 0 HB2 PHE A 89 18.184 19.251 11.377 1.00 0.11 H new ATOM 0 HB3 PHE A 89 19.316 20.276 12.235 1.00 0.11 H new ATOM 0 HD1 PHE A 89 21.488 18.943 13.176 1.00 0.09 H new ATOM 0 HD2 PHE A 89 19.082 17.678 9.833 1.00 0.13 H new ATOM 0 HE1 PHE A 89 23.361 17.594 12.321 1.00 0.12 H new ATOM 0 HE2 PHE A 89 20.997 16.307 8.999 1.00 0.14 H new ATOM 0 HZ PHE A 89 23.136 16.291 10.263 1.00 0.13 H new ATOM 1355 N ARG A 90 16.510 19.792 14.224 1.00 0.15 N ATOM 1356 CA ARG A 90 15.783 20.784 15.062 1.00 0.20 C ATOM 1357 C ARG A 90 15.874 20.313 16.514 1.00 0.19 C ATOM 1358 O ARG A 90 16.182 21.070 17.413 1.00 0.25 O ATOM 1359 CB ARG A 90 14.318 20.858 14.625 1.00 0.21 C ATOM 1360 CG ARG A 90 13.676 22.131 15.196 1.00 0.53 C ATOM 1361 CD ARG A 90 12.217 22.270 14.704 1.00 0.49 C ATOM 1362 NE ARG A 90 11.963 23.671 14.237 1.00 0.96 N ATOM 1363 CZ ARG A 90 12.326 24.703 14.954 1.00 1.75 C ATOM 1364 NH1 ARG A 90 12.827 24.535 16.146 1.00 2.34 N ATOM 1365 NH2 ARG A 90 12.157 25.908 14.484 1.00 2.16 N ATOM 0 H ARG A 90 15.922 19.204 13.634 1.00 0.15 H new ATOM 0 HA ARG A 90 16.221 21.776 14.954 1.00 0.20 H new ATOM 0 HB2 ARG A 90 14.252 20.861 13.537 1.00 0.21 H new ATOM 0 HB3 ARG A 90 13.778 19.978 14.974 1.00 0.21 H new ATOM 0 HG2 ARG A 90 13.697 22.099 16.285 1.00 0.53 H new ATOM 0 HG3 ARG A 90 14.253 23.004 14.892 1.00 0.53 H new ATOM 0 HD2 ARG A 90 12.030 21.568 13.891 1.00 0.49 H new ATOM 0 HD3 ARG A 90 11.528 22.016 15.509 1.00 0.49 H new ATOM 0 HE ARG A 90 11.498 23.823 13.342 1.00 0.96 H new ATOM 0 HH11 ARG A 90 12.938 23.594 16.525 1.00 2.34 H new ATOM 0 HH12 ARG A 90 13.108 25.344 16.700 1.00 2.34 H new ATOM 0 HH21 ARG A 90 11.743 26.042 13.561 1.00 2.16 H new ATOM 0 HH22 ARG A 90 12.438 26.716 15.039 1.00 2.16 H new ATOM 1379 N VAL A 91 15.639 19.048 16.735 1.00 0.14 N ATOM 1380 CA VAL A 91 15.745 18.485 18.115 1.00 0.19 C ATOM 1381 C VAL A 91 17.120 18.859 18.664 1.00 0.26 C ATOM 1382 O VAL A 91 17.376 18.786 19.849 1.00 0.37 O ATOM 1383 CB VAL A 91 15.626 16.938 18.036 1.00 0.19 C ATOM 1384 CG1 VAL A 91 16.425 16.250 19.159 1.00 0.29 C ATOM 1385 CG2 VAL A 91 14.153 16.518 18.140 1.00 0.18 C ATOM 0 H VAL A 91 15.376 18.375 16.015 1.00 0.14 H new ATOM 0 HA VAL A 91 14.957 18.876 18.759 1.00 0.19 H new ATOM 0 HB VAL A 91 16.038 16.626 17.076 1.00 0.19 H new ATOM 0 HG11 VAL A 91 16.318 15.169 19.072 1.00 0.29 H new ATOM 0 HG12 VAL A 91 17.478 16.519 19.074 1.00 0.29 H new ATOM 0 HG13 VAL A 91 16.045 16.575 20.128 1.00 0.29 H new ATOM 0 HG21 VAL A 91 14.079 15.432 18.084 1.00 0.18 H new ATOM 0 HG22 VAL A 91 13.743 16.861 19.090 1.00 0.18 H new ATOM 0 HG23 VAL A 91 13.589 16.963 17.320 1.00 0.18 H new ATOM 1395 N PHE A 92 18.019 19.190 17.788 1.00 0.22 N ATOM 1396 CA PHE A 92 19.415 19.491 18.201 1.00 0.29 C ATOM 1397 C PHE A 92 19.681 20.994 18.294 1.00 0.38 C ATOM 1398 O PHE A 92 20.687 21.425 18.818 1.00 0.46 O ATOM 1399 CB PHE A 92 20.311 18.804 17.169 1.00 0.19 C ATOM 1400 CG PHE A 92 20.622 17.422 17.666 1.00 0.23 C ATOM 1401 CD1 PHE A 92 19.785 16.334 17.363 1.00 0.24 C ATOM 1402 CD2 PHE A 92 21.740 17.253 18.462 1.00 0.32 C ATOM 1403 CE1 PHE A 92 20.079 15.072 17.872 1.00 0.35 C ATOM 1404 CE2 PHE A 92 22.045 15.981 18.969 1.00 0.41 C ATOM 1405 CZ PHE A 92 21.206 14.891 18.672 1.00 0.44 C ATOM 0 H PHE A 92 17.844 19.267 16.786 1.00 0.22 H new ATOM 0 HA PHE A 92 19.617 19.118 19.205 1.00 0.29 H new ATOM 0 HB2 PHE A 92 19.810 18.757 16.202 1.00 0.19 H new ATOM 0 HB3 PHE A 92 21.230 19.372 17.025 1.00 0.19 H new ATOM 0 HD1 PHE A 92 18.916 16.477 16.737 1.00 0.24 H new ATOM 0 HD2 PHE A 92 22.375 18.096 18.692 1.00 0.32 H new ATOM 0 HE1 PHE A 92 19.435 14.235 17.647 1.00 0.35 H new ATOM 0 HE2 PHE A 92 22.921 15.839 19.585 1.00 0.41 H new ATOM 0 HZ PHE A 92 21.436 13.912 19.065 1.00 0.44 H new ATOM 1415 N ASP A 93 18.767 21.781 17.852 1.00 0.43 N ATOM 1416 CA ASP A 93 18.925 23.265 17.953 1.00 0.57 C ATOM 1417 C ASP A 93 18.338 23.709 19.293 1.00 0.86 C ATOM 1418 O ASP A 93 17.304 24.340 19.362 1.00 1.03 O ATOM 1419 CB ASP A 93 18.173 23.950 16.805 1.00 0.61 C ATOM 1420 CG ASP A 93 18.274 25.471 16.955 1.00 0.76 C ATOM 1421 OD1 ASP A 93 18.774 25.916 17.975 1.00 1.99 O ATOM 1422 OD2 ASP A 93 17.851 26.165 16.045 1.00 0.56 O ATOM 0 H ASP A 93 17.899 21.470 17.416 1.00 0.43 H new ATOM 0 HA ASP A 93 19.978 23.539 17.888 1.00 0.57 H new ATOM 0 HB2 ASP A 93 18.592 23.641 15.848 1.00 0.61 H new ATOM 0 HB3 ASP A 93 17.127 23.643 16.809 1.00 0.61 H new ATOM 1489 N TYR A 99 21.854 26.854 14.234 1.00 0.29 N ATOM 1490 CA TYR A 99 23.272 26.374 14.130 1.00 0.27 C ATOM 1491 C TYR A 99 23.617 25.485 15.331 1.00 0.27 C ATOM 1492 O TYR A 99 23.183 25.720 16.440 1.00 0.30 O ATOM 1493 CB TYR A 99 24.213 27.584 14.123 1.00 0.29 C ATOM 1494 CG TYR A 99 23.900 28.468 12.937 1.00 0.38 C ATOM 1495 CD1 TYR A 99 24.518 28.228 11.702 1.00 1.27 C ATOM 1496 CD2 TYR A 99 22.997 29.529 13.073 1.00 2.02 C ATOM 1497 CE1 TYR A 99 24.232 29.051 10.606 1.00 1.04 C ATOM 1498 CE2 TYR A 99 22.713 30.352 11.976 1.00 2.26 C ATOM 1499 CZ TYR A 99 23.331 30.112 10.742 1.00 0.77 C ATOM 1500 OH TYR A 99 23.049 30.921 9.659 1.00 0.99 O ATOM 0 HA TYR A 99 23.387 25.800 13.211 1.00 0.27 H new ATOM 0 HB2 TYR A 99 24.102 28.149 15.049 1.00 0.29 H new ATOM 0 HB3 TYR A 99 25.250 27.250 14.076 1.00 0.29 H new ATOM 0 HD1 TYR A 99 25.214 27.409 11.596 1.00 1.27 H new ATOM 0 HD2 TYR A 99 22.519 29.713 14.024 1.00 2.02 H new ATOM 0 HE1 TYR A 99 24.708 28.866 9.654 1.00 1.04 H new ATOM 0 HE2 TYR A 99 22.018 31.172 12.081 1.00 2.26 H new ATOM 0 HH TYR A 99 22.403 31.609 9.924 1.00 0.99 H new ATOM 1510 N ILE A 100 24.431 24.484 15.110 1.00 0.24 N ATOM 1511 CA ILE A 100 24.865 23.582 16.226 1.00 0.24 C ATOM 1512 C ILE A 100 26.346 23.260 16.022 1.00 0.20 C ATOM 1513 O ILE A 100 26.890 23.477 14.960 1.00 0.18 O ATOM 1514 CB ILE A 100 24.065 22.255 16.249 1.00 0.25 C ATOM 1515 CG1 ILE A 100 24.229 21.519 14.907 1.00 0.29 C ATOM 1516 CG2 ILE A 100 22.570 22.505 16.536 1.00 0.24 C ATOM 1517 CD1 ILE A 100 23.283 20.315 14.846 1.00 0.20 C ATOM 0 H ILE A 100 24.818 24.249 14.196 1.00 0.24 H new ATOM 0 HA ILE A 100 24.687 24.092 17.173 1.00 0.24 H new ATOM 0 HB ILE A 100 24.462 21.635 17.053 1.00 0.25 H new ATOM 0 HG12 ILE A 100 24.017 22.199 14.082 1.00 0.29 H new ATOM 0 HG13 ILE A 100 25.260 21.187 14.789 1.00 0.29 H new ATOM 0 HG21 ILE A 100 22.037 21.554 16.545 1.00 0.24 H new ATOM 0 HG22 ILE A 100 22.462 22.991 17.506 1.00 0.24 H new ATOM 0 HG23 ILE A 100 22.153 23.147 15.760 1.00 0.24 H new ATOM 0 HD11 ILE A 100 23.408 19.802 13.892 1.00 0.20 H new ATOM 0 HD12 ILE A 100 23.515 19.628 15.660 1.00 0.20 H new ATOM 0 HD13 ILE A 100 22.252 20.657 14.942 1.00 0.20 H new ATOM 1529 N SER A 101 27.006 22.740 17.018 1.00 0.22 N ATOM 1530 CA SER A 101 28.450 22.409 16.846 1.00 0.20 C ATOM 1531 C SER A 101 28.582 21.134 16.008 1.00 0.16 C ATOM 1532 O SER A 101 27.821 20.198 16.159 1.00 0.16 O ATOM 1533 CB SER A 101 29.107 22.208 18.212 1.00 0.28 C ATOM 1534 OG SER A 101 28.525 21.081 18.854 1.00 0.31 O ATOM 0 H SER A 101 26.614 22.531 17.936 1.00 0.22 H new ATOM 0 HA SER A 101 28.951 23.231 16.335 1.00 0.20 H new ATOM 0 HB2 SER A 101 30.180 22.059 18.093 1.00 0.28 H new ATOM 0 HB3 SER A 101 28.975 23.099 18.826 1.00 0.28 H new ATOM 0 HG SER A 101 27.615 21.303 19.142 1.00 0.31 H new ATOM 1540 N ALA A 102 29.540 21.105 15.118 1.00 0.14 N ATOM 1541 CA ALA A 102 29.744 19.910 14.242 1.00 0.16 C ATOM 1542 C ALA A 102 29.556 18.616 15.034 1.00 0.21 C ATOM 1543 O ALA A 102 29.081 17.628 14.514 1.00 0.21 O ATOM 1544 CB ALA A 102 31.165 19.951 13.686 1.00 0.20 C ATOM 0 H ALA A 102 30.198 21.868 14.958 1.00 0.14 H new ATOM 0 HA ALA A 102 29.011 19.932 13.435 1.00 0.16 H new ATOM 0 HB1 ALA A 102 31.330 19.085 13.044 1.00 0.20 H new ATOM 0 HB2 ALA A 102 31.303 20.864 13.106 1.00 0.20 H new ATOM 0 HB3 ALA A 102 31.879 19.933 14.510 1.00 0.20 H new ATOM 1550 N ALA A 103 29.922 18.601 16.277 1.00 0.26 N ATOM 1551 CA ALA A 103 29.750 17.353 17.068 1.00 0.32 C ATOM 1552 C ALA A 103 28.266 17.031 17.144 1.00 0.29 C ATOM 1553 O ALA A 103 27.827 15.960 16.774 1.00 0.27 O ATOM 1554 CB ALA A 103 30.314 17.548 18.477 1.00 0.38 C ATOM 0 H ALA A 103 30.330 19.389 16.780 1.00 0.26 H new ATOM 0 HA ALA A 103 30.285 16.532 16.590 1.00 0.32 H new ATOM 0 HB1 ALA A 103 30.185 16.630 19.051 1.00 0.38 H new ATOM 0 HB2 ALA A 103 31.375 17.790 18.414 1.00 0.38 H new ATOM 0 HB3 ALA A 103 29.785 18.363 18.971 1.00 0.38 H new ATOM 1560 N GLU A 104 27.493 17.961 17.602 1.00 0.30 N ATOM 1561 CA GLU A 104 26.028 17.739 17.690 1.00 0.27 C ATOM 1562 C GLU A 104 25.505 17.363 16.300 1.00 0.26 C ATOM 1563 O GLU A 104 24.550 16.624 16.161 1.00 0.26 O ATOM 1564 CB GLU A 104 25.364 19.036 18.163 1.00 0.29 C ATOM 1565 CG GLU A 104 25.492 19.156 19.685 1.00 0.61 C ATOM 1566 CD GLU A 104 25.021 20.543 20.131 1.00 0.47 C ATOM 1567 OE1 GLU A 104 25.680 21.510 19.791 1.00 0.57 O ATOM 1568 OE2 GLU A 104 24.007 20.613 20.806 1.00 0.34 O ATOM 0 H GLU A 104 27.812 18.875 17.923 1.00 0.30 H new ATOM 0 HA GLU A 104 25.801 16.937 18.393 1.00 0.27 H new ATOM 0 HB2 GLU A 104 25.833 19.893 17.680 1.00 0.29 H new ATOM 0 HB3 GLU A 104 24.313 19.044 17.875 1.00 0.29 H new ATOM 0 HG2 GLU A 104 24.896 18.384 20.172 1.00 0.61 H new ATOM 0 HG3 GLU A 104 26.527 18.998 19.987 1.00 0.61 H new ATOM 1575 N LEU A 105 26.132 17.868 15.271 1.00 0.25 N ATOM 1576 CA LEU A 105 25.685 17.545 13.887 1.00 0.23 C ATOM 1577 C LEU A 105 26.015 16.087 13.577 1.00 0.26 C ATOM 1578 O LEU A 105 25.167 15.326 13.157 1.00 0.22 O ATOM 1579 CB LEU A 105 26.399 18.477 12.896 1.00 0.22 C ATOM 1580 CG LEU A 105 25.977 18.159 11.419 1.00 0.20 C ATOM 1581 CD1 LEU A 105 25.133 19.291 10.785 1.00 0.17 C ATOM 1582 CD2 LEU A 105 27.215 17.947 10.547 1.00 0.26 C ATOM 0 H LEU A 105 26.937 18.492 15.331 1.00 0.25 H new ATOM 0 HA LEU A 105 24.608 17.689 13.798 1.00 0.23 H new ATOM 0 HB2 LEU A 105 26.160 19.514 13.131 1.00 0.22 H new ATOM 0 HB3 LEU A 105 27.478 18.367 13.001 1.00 0.22 H new ATOM 0 HG LEU A 105 25.370 17.254 11.463 1.00 0.20 H new ATOM 0 HD11 LEU A 105 24.868 19.019 9.763 1.00 0.17 H new ATOM 0 HD12 LEU A 105 24.224 19.438 11.369 1.00 0.17 H new ATOM 0 HD13 LEU A 105 25.711 20.215 10.776 1.00 0.17 H new ATOM 0 HD21 LEU A 105 26.907 17.727 9.525 1.00 0.26 H new ATOM 0 HD22 LEU A 105 27.825 18.850 10.556 1.00 0.26 H new ATOM 0 HD23 LEU A 105 27.797 17.112 10.938 1.00 0.26 H new ATOM 1594 N ARG A 106 27.232 15.687 13.793 1.00 0.32 N ATOM 1595 CA ARG A 106 27.597 14.276 13.524 1.00 0.36 C ATOM 1596 C ARG A 106 26.721 13.407 14.423 1.00 0.33 C ATOM 1597 O ARG A 106 26.308 12.321 14.065 1.00 0.33 O ATOM 1598 CB ARG A 106 29.112 14.109 13.823 1.00 0.44 C ATOM 1599 CG ARG A 106 29.383 13.012 14.865 1.00 1.61 C ATOM 1600 CD ARG A 106 30.906 12.838 15.081 1.00 1.58 C ATOM 1601 NE ARG A 106 31.257 11.381 15.115 1.00 2.52 N ATOM 1602 CZ ARG A 106 30.564 10.527 15.826 1.00 3.52 C ATOM 1603 NH1 ARG A 106 29.607 10.940 16.610 1.00 4.01 N ATOM 1604 NH2 ARG A 106 30.856 9.256 15.772 1.00 4.32 N ATOM 0 H ARG A 106 27.988 16.275 14.144 1.00 0.32 H new ATOM 0 HA ARG A 106 27.430 13.980 12.488 1.00 0.36 H new ATOM 0 HB2 ARG A 106 29.638 13.868 12.899 1.00 0.44 H new ATOM 0 HB3 ARG A 106 29.516 15.056 14.182 1.00 0.44 H new ATOM 0 HG2 ARG A 106 28.903 13.271 15.809 1.00 1.61 H new ATOM 0 HG3 ARG A 106 28.946 12.070 14.533 1.00 1.61 H new ATOM 0 HD2 ARG A 106 31.454 13.334 14.280 1.00 1.58 H new ATOM 0 HD3 ARG A 106 31.206 13.314 16.014 1.00 1.58 H new ATOM 0 HE ARG A 106 32.053 11.047 14.572 1.00 2.52 H new ATOM 0 HH11 ARG A 106 29.393 11.935 16.673 1.00 4.01 H new ATOM 0 HH12 ARG A 106 29.072 10.268 17.160 1.00 4.01 H new ATOM 0 HH21 ARG A 106 31.620 8.933 15.179 1.00 4.32 H new ATOM 0 HH22 ARG A 106 30.320 8.586 16.323 1.00 4.32 H new ATOM 1618 N HIS A 107 26.436 13.899 15.592 1.00 0.34 N ATOM 1619 CA HIS A 107 25.587 13.144 16.542 1.00 0.32 C ATOM 1620 C HIS A 107 24.158 13.053 15.982 1.00 0.26 C ATOM 1621 O HIS A 107 23.531 12.016 16.037 1.00 0.25 O ATOM 1622 CB HIS A 107 25.595 13.886 17.887 1.00 0.35 C ATOM 1623 CG HIS A 107 25.303 12.925 19.003 1.00 0.42 C ATOM 1624 ND1 HIS A 107 26.151 11.875 19.322 1.00 0.60 N ATOM 1625 CD2 HIS A 107 24.262 12.846 19.888 1.00 0.42 C ATOM 1626 CE1 HIS A 107 25.606 11.215 20.358 1.00 0.63 C ATOM 1627 NE2 HIS A 107 24.451 11.767 20.745 1.00 0.54 N ATOM 0 H HIS A 107 26.761 14.804 15.932 1.00 0.34 H new ATOM 0 HA HIS A 107 25.967 12.132 16.683 1.00 0.32 H new ATOM 0 HB2 HIS A 107 26.565 14.358 18.046 1.00 0.35 H new ATOM 0 HB3 HIS A 107 24.851 14.682 17.877 1.00 0.35 H new ATOM 0 HD2 HIS A 107 23.419 13.521 19.917 1.00 0.42 H new ATOM 0 HE1 HIS A 107 26.047 10.345 20.822 1.00 0.63 H new ATOM 0 HE2 HIS A 107 23.841 11.463 21.504 1.00 0.54 H new ATOM 1635 N VAL A 108 23.643 14.124 15.434 1.00 0.22 N ATOM 1636 CA VAL A 108 22.265 14.077 14.863 1.00 0.15 C ATOM 1637 C VAL A 108 22.210 12.967 13.815 1.00 0.14 C ATOM 1638 O VAL A 108 21.230 12.264 13.683 1.00 0.09 O ATOM 1639 CB VAL A 108 21.935 15.396 14.140 1.00 0.12 C ATOM 1640 CG1 VAL A 108 20.572 15.262 13.432 1.00 0.04 C ATOM 1641 CG2 VAL A 108 21.893 16.566 15.144 1.00 0.18 C ATOM 0 H VAL A 108 24.115 15.025 15.358 1.00 0.22 H new ATOM 0 HA VAL A 108 21.558 13.907 15.675 1.00 0.15 H new ATOM 0 HB VAL A 108 22.712 15.602 13.403 1.00 0.12 H new ATOM 0 HG11 VAL A 108 20.335 16.194 12.919 1.00 0.04 H new ATOM 0 HG12 VAL A 108 20.617 14.450 12.706 1.00 0.04 H new ATOM 0 HG13 VAL A 108 19.799 15.047 14.169 1.00 0.04 H new ATOM 0 HG21 VAL A 108 21.659 17.490 14.616 1.00 0.18 H new ATOM 0 HG22 VAL A 108 21.127 16.373 15.896 1.00 0.18 H new ATOM 0 HG23 VAL A 108 22.863 16.663 15.631 1.00 0.18 H new ATOM 1651 N MET A 109 23.257 12.844 13.035 1.00 0.20 N ATOM 1652 CA MET A 109 23.264 11.821 11.955 1.00 0.23 C ATOM 1653 C MET A 109 23.360 10.409 12.554 1.00 0.26 C ATOM 1654 O MET A 109 22.878 9.453 11.975 1.00 0.29 O ATOM 1655 CB MET A 109 24.457 12.076 11.013 1.00 0.26 C ATOM 1656 CG MET A 109 24.430 13.526 10.503 1.00 0.19 C ATOM 1657 SD MET A 109 26.092 13.995 9.957 1.00 0.22 S ATOM 1658 CE MET A 109 25.927 13.464 8.235 1.00 0.22 C ATOM 0 H MET A 109 24.103 13.409 13.103 1.00 0.20 H new ATOM 0 HA MET A 109 22.334 11.894 11.391 1.00 0.23 H new ATOM 0 HB2 MET A 109 25.392 11.885 11.539 1.00 0.26 H new ATOM 0 HB3 MET A 109 24.419 11.386 10.170 1.00 0.26 H new ATOM 0 HG2 MET A 109 23.723 13.621 9.679 1.00 0.19 H new ATOM 0 HG3 MET A 109 24.091 14.196 11.293 1.00 0.19 H new ATOM 0 HE1 MET A 109 26.887 13.565 7.730 1.00 0.22 H new ATOM 0 HE2 MET A 109 25.609 12.422 8.204 1.00 0.22 H new ATOM 0 HE3 MET A 109 25.185 14.085 7.732 1.00 0.22 H new ATOM 1668 N THR A 110 23.986 10.255 13.698 1.00 0.27 N ATOM 1669 CA THR A 110 24.120 8.909 14.311 1.00 0.29 C ATOM 1670 C THR A 110 22.867 8.574 15.143 1.00 0.25 C ATOM 1671 O THR A 110 22.359 7.471 15.100 1.00 0.27 O ATOM 1672 CB THR A 110 25.384 8.931 15.204 1.00 0.31 C ATOM 1673 OG1 THR A 110 26.006 10.202 15.081 1.00 0.33 O ATOM 1674 CG2 THR A 110 26.377 7.852 14.764 1.00 0.36 C ATOM 0 H THR A 110 24.410 11.014 14.231 1.00 0.27 H new ATOM 0 HA THR A 110 24.215 8.142 13.543 1.00 0.29 H new ATOM 0 HB THR A 110 25.091 8.740 16.236 1.00 0.31 H new ATOM 0 HG1 THR A 110 26.111 10.425 14.132 1.00 0.33 H new ATOM 0 HG21 THR A 110 27.258 7.885 15.405 1.00 0.36 H new ATOM 0 HG22 THR A 110 25.908 6.871 14.843 1.00 0.36 H new ATOM 0 HG23 THR A 110 26.673 8.030 13.730 1.00 0.36 H new ATOM 1682 N ASN A 111 22.373 9.513 15.908 1.00 0.22 N ATOM 1683 CA ASN A 111 21.171 9.242 16.746 1.00 0.21 C ATOM 1684 C ASN A 111 19.981 8.909 15.852 1.00 0.24 C ATOM 1685 O ASN A 111 19.081 8.185 16.232 1.00 0.31 O ATOM 1686 CB ASN A 111 20.854 10.485 17.584 1.00 0.20 C ATOM 1687 CG ASN A 111 19.625 10.221 18.458 1.00 0.72 C ATOM 1688 OD1 ASN A 111 18.635 9.694 17.994 1.00 1.52 O ATOM 1689 ND2 ASN A 111 19.648 10.573 19.715 1.00 0.91 N ATOM 0 H ASN A 111 22.752 10.457 15.987 1.00 0.22 H new ATOM 0 HA ASN A 111 21.368 8.395 17.403 1.00 0.21 H new ATOM 0 HB2 ASN A 111 21.709 10.741 18.210 1.00 0.20 H new ATOM 0 HB3 ASN A 111 20.671 11.338 16.931 1.00 0.20 H new ATOM 0 HD21 ASN A 111 18.834 10.405 20.307 1.00 0.91 H new ATOM 0 HD22 ASN A 111 20.480 11.016 20.105 1.00 0.91 H new ATOM 1696 N LEU A 112 19.969 9.439 14.671 1.00 0.21 N ATOM 1697 CA LEU A 112 18.835 9.172 13.739 1.00 0.25 C ATOM 1698 C LEU A 112 18.727 7.675 13.462 1.00 0.31 C ATOM 1699 O LEU A 112 17.674 7.150 13.161 1.00 0.38 O ATOM 1700 CB LEU A 112 19.060 9.941 12.422 1.00 0.21 C ATOM 1701 CG LEU A 112 18.417 11.337 12.510 1.00 0.24 C ATOM 1702 CD1 LEU A 112 18.834 12.163 11.286 1.00 0.30 C ATOM 1703 CD2 LEU A 112 16.873 11.221 12.577 1.00 0.26 C ATOM 0 H LEU A 112 20.697 10.051 14.302 1.00 0.21 H new ATOM 0 HA LEU A 112 17.905 9.509 14.197 1.00 0.25 H new ATOM 0 HB2 LEU A 112 20.128 10.035 12.224 1.00 0.21 H new ATOM 0 HB3 LEU A 112 18.630 9.385 11.589 1.00 0.21 H new ATOM 0 HG LEU A 112 18.760 11.833 13.418 1.00 0.24 H new ATOM 0 HD11 LEU A 112 18.381 13.153 11.344 1.00 0.30 H new ATOM 0 HD12 LEU A 112 19.919 12.261 11.266 1.00 0.30 H new ATOM 0 HD13 LEU A 112 18.498 11.663 10.378 1.00 0.30 H new ATOM 0 HD21 LEU A 112 16.436 12.217 12.639 1.00 0.26 H new ATOM 0 HD22 LEU A 112 16.507 10.719 11.682 1.00 0.26 H new ATOM 0 HD23 LEU A 112 16.589 10.645 13.458 1.00 0.26 H new ATOM 1715 N GLY A 113 19.816 6.998 13.568 1.00 0.33 N ATOM 1716 CA GLY A 113 19.836 5.522 13.323 1.00 0.43 C ATOM 1717 C GLY A 113 20.219 5.252 11.867 1.00 0.23 C ATOM 1718 O GLY A 113 19.875 4.232 11.304 1.00 0.27 O ATOM 0 H GLY A 113 20.719 7.400 13.819 1.00 0.33 H new ATOM 0 HA2 GLY A 113 20.549 5.041 13.993 1.00 0.43 H new ATOM 0 HA3 GLY A 113 18.857 5.094 13.538 1.00 0.43 H new ATOM 1722 N GLU A 114 20.929 6.159 11.258 1.00 0.14 N ATOM 1723 CA GLU A 114 21.340 5.966 9.844 1.00 0.26 C ATOM 1724 C GLU A 114 22.561 5.027 9.798 1.00 0.34 C ATOM 1725 O GLU A 114 23.417 5.086 10.656 1.00 0.54 O ATOM 1726 CB GLU A 114 21.706 7.330 9.249 1.00 0.44 C ATOM 1727 CG GLU A 114 20.437 8.163 9.058 1.00 0.45 C ATOM 1728 CD GLU A 114 20.804 9.515 8.449 1.00 1.52 C ATOM 1729 OE1 GLU A 114 21.159 10.405 9.202 1.00 2.51 O ATOM 1730 OE2 GLU A 114 20.724 9.637 7.236 1.00 1.66 O ATOM 0 H GLU A 114 21.243 7.031 11.684 1.00 0.14 H new ATOM 0 HA GLU A 114 20.527 5.523 9.269 1.00 0.26 H new ATOM 0 HB2 GLU A 114 22.400 7.851 9.908 1.00 0.44 H new ATOM 0 HB3 GLU A 114 22.213 7.197 8.293 1.00 0.44 H new ATOM 0 HG2 GLU A 114 19.738 7.637 8.408 1.00 0.45 H new ATOM 0 HG3 GLU A 114 19.936 8.307 10.015 1.00 0.45 H new ATOM 1737 N LYS A 115 22.657 4.158 8.814 1.00 0.28 N ATOM 1738 CA LYS A 115 23.826 3.232 8.752 1.00 0.45 C ATOM 1739 C LYS A 115 25.016 3.954 8.133 1.00 0.42 C ATOM 1740 O LYS A 115 25.772 3.399 7.362 1.00 0.55 O ATOM 1741 CB LYS A 115 23.476 2.016 7.899 1.00 0.61 C ATOM 1742 CG LYS A 115 22.549 1.064 8.671 1.00 0.66 C ATOM 1743 CD LYS A 115 22.551 -0.316 8.002 1.00 1.24 C ATOM 1744 CE LYS A 115 22.148 -0.181 6.531 1.00 1.28 C ATOM 1745 NZ LYS A 115 23.308 0.323 5.742 1.00 2.81 N ATOM 0 H LYS A 115 21.979 4.054 8.059 1.00 0.28 H new ATOM 0 HA LYS A 115 24.079 2.907 9.761 1.00 0.45 H new ATOM 0 HB2 LYS A 115 22.990 2.338 6.978 1.00 0.61 H new ATOM 0 HB3 LYS A 115 24.387 1.492 7.612 1.00 0.61 H new ATOM 0 HG2 LYS A 115 22.881 0.978 9.706 1.00 0.66 H new ATOM 0 HG3 LYS A 115 21.536 1.466 8.694 1.00 0.66 H new ATOM 0 HD2 LYS A 115 23.541 -0.765 8.077 1.00 1.24 H new ATOM 0 HD3 LYS A 115 21.859 -0.981 8.518 1.00 1.24 H new ATOM 0 HE2 LYS A 115 21.822 -1.146 6.142 1.00 1.28 H new ATOM 0 HE3 LYS A 115 21.305 0.503 6.435 1.00 1.28 H new ATOM 0 HZ1 LYS A 115 23.182 1.337 5.549 1.00 2.81 H new ATOM 0 HZ2 LYS A 115 24.184 0.180 6.283 1.00 2.81 H new ATOM 0 HZ3 LYS A 115 23.368 -0.196 4.843 1.00 2.81 H new ATOM 1759 N LEU A 116 25.179 5.182 8.485 1.00 0.30 N ATOM 1760 CA LEU A 116 26.330 5.973 7.944 1.00 0.27 C ATOM 1761 C LEU A 116 27.595 5.614 8.724 1.00 0.27 C ATOM 1762 O LEU A 116 27.585 5.536 9.937 1.00 0.34 O ATOM 1763 CB LEU A 116 26.065 7.479 8.084 1.00 0.32 C ATOM 1764 CG LEU A 116 24.950 7.917 7.115 1.00 0.74 C ATOM 1765 CD1 LEU A 116 24.346 9.242 7.595 1.00 1.18 C ATOM 1766 CD2 LEU A 116 25.513 8.112 5.698 1.00 1.25 C ATOM 0 H LEU A 116 24.569 5.688 9.127 1.00 0.30 H new ATOM 0 HA LEU A 116 26.455 5.734 6.888 1.00 0.27 H new ATOM 0 HB2 LEU A 116 25.777 7.711 9.109 1.00 0.32 H new ATOM 0 HB3 LEU A 116 26.978 8.037 7.875 1.00 0.32 H new ATOM 0 HG LEU A 116 24.185 7.141 7.093 1.00 0.74 H new ATOM 0 HD11 LEU A 116 23.557 9.552 6.909 1.00 1.18 H new ATOM 0 HD12 LEU A 116 23.928 9.111 8.593 1.00 1.18 H new ATOM 0 HD13 LEU A 116 25.122 10.006 7.624 1.00 1.18 H new ATOM 0 HD21 LEU A 116 24.711 8.421 5.027 1.00 1.25 H new ATOM 0 HD22 LEU A 116 26.287 8.879 5.716 1.00 1.25 H new ATOM 0 HD23 LEU A 116 25.941 7.174 5.344 1.00 1.25 H new ATOM 1778 N THR A 117 28.683 5.391 8.040 1.00 0.21 N ATOM 1779 CA THR A 117 29.951 5.032 8.740 1.00 0.21 C ATOM 1780 C THR A 117 30.689 6.308 9.156 1.00 0.24 C ATOM 1781 O THR A 117 30.605 7.329 8.502 1.00 0.28 O ATOM 1782 CB THR A 117 30.844 4.220 7.799 1.00 0.22 C ATOM 1783 OG1 THR A 117 31.094 4.973 6.621 1.00 0.26 O ATOM 1784 CG2 THR A 117 30.142 2.910 7.429 1.00 0.26 C ATOM 0 H THR A 117 28.750 5.442 7.023 1.00 0.21 H new ATOM 0 HA THR A 117 29.716 4.440 9.625 1.00 0.21 H new ATOM 0 HB THR A 117 31.788 3.996 8.296 1.00 0.22 H new ATOM 0 HG1 THR A 117 31.667 4.456 6.017 1.00 0.26 H new ATOM 0 HG21 THR A 117 30.779 2.333 6.759 1.00 0.26 H new ATOM 0 HG22 THR A 117 29.949 2.333 8.333 1.00 0.26 H new ATOM 0 HG23 THR A 117 29.198 3.131 6.931 1.00 0.26 H new ATOM 1792 N ASP A 118 31.413 6.256 10.240 1.00 0.28 N ATOM 1793 CA ASP A 118 32.161 7.459 10.705 1.00 0.35 C ATOM 1794 C ASP A 118 33.089 7.962 9.591 1.00 0.39 C ATOM 1795 O ASP A 118 33.520 9.098 9.600 1.00 0.56 O ATOM 1796 CB ASP A 118 32.995 7.098 11.936 1.00 0.38 C ATOM 1797 CG ASP A 118 32.081 6.505 13.013 1.00 0.48 C ATOM 1798 OD1 ASP A 118 31.245 7.235 13.520 1.00 0.41 O ATOM 1799 OD2 ASP A 118 32.232 5.331 13.307 1.00 1.40 O ATOM 0 H ASP A 118 31.519 5.428 10.827 1.00 0.28 H new ATOM 0 HA ASP A 118 31.449 8.244 10.961 1.00 0.35 H new ATOM 0 HB2 ASP A 118 33.770 6.381 11.666 1.00 0.38 H new ATOM 0 HB3 ASP A 118 33.500 7.984 12.320 1.00 0.38 H new ATOM 1804 N GLU A 119 33.404 7.129 8.634 1.00 0.27 N ATOM 1805 CA GLU A 119 34.308 7.577 7.530 1.00 0.32 C ATOM 1806 C GLU A 119 33.516 8.447 6.549 1.00 0.36 C ATOM 1807 O GLU A 119 33.924 9.537 6.204 1.00 0.43 O ATOM 1808 CB GLU A 119 34.891 6.362 6.785 1.00 0.33 C ATOM 1809 CG GLU A 119 36.075 5.784 7.571 1.00 0.50 C ATOM 1810 CD GLU A 119 36.608 4.545 6.849 1.00 1.54 C ATOM 1811 OE1 GLU A 119 36.007 4.154 5.860 1.00 2.09 O ATOM 1812 OE2 GLU A 119 37.607 4.008 7.295 1.00 2.40 O ATOM 0 H GLU A 119 33.078 6.165 8.567 1.00 0.27 H new ATOM 0 HA GLU A 119 35.129 8.153 7.957 1.00 0.32 H new ATOM 0 HB2 GLU A 119 34.122 5.600 6.657 1.00 0.33 H new ATOM 0 HB3 GLU A 119 35.216 6.658 5.787 1.00 0.33 H new ATOM 0 HG2 GLU A 119 36.863 6.531 7.664 1.00 0.50 H new ATOM 0 HG3 GLU A 119 35.762 5.523 8.582 1.00 0.50 H new ATOM 1819 N GLU A 120 32.386 7.976 6.099 1.00 0.35 N ATOM 1820 CA GLU A 120 31.575 8.779 5.143 1.00 0.39 C ATOM 1821 C GLU A 120 31.309 10.164 5.741 1.00 0.36 C ATOM 1822 O GLU A 120 31.201 11.145 5.037 1.00 0.34 O ATOM 1823 CB GLU A 120 30.245 8.068 4.874 1.00 0.39 C ATOM 1824 CG GLU A 120 30.469 6.910 3.897 1.00 0.48 C ATOM 1825 CD GLU A 120 29.158 6.145 3.704 1.00 0.55 C ATOM 1826 OE1 GLU A 120 28.576 5.751 4.698 1.00 0.42 O ATOM 1827 OE2 GLU A 120 28.760 5.971 2.563 1.00 0.82 O ATOM 0 H GLU A 120 31.990 7.071 6.352 1.00 0.35 H new ATOM 0 HA GLU A 120 32.119 8.888 4.205 1.00 0.39 H new ATOM 0 HB2 GLU A 120 29.826 7.693 5.808 1.00 0.39 H new ATOM 0 HB3 GLU A 120 29.522 8.771 4.460 1.00 0.39 H new ATOM 0 HG2 GLU A 120 30.824 7.291 2.940 1.00 0.48 H new ATOM 0 HG3 GLU A 120 31.240 6.241 4.280 1.00 0.48 H new ATOM 1834 N VAL A 121 31.208 10.248 7.038 1.00 0.41 N ATOM 1835 CA VAL A 121 30.952 11.566 7.683 1.00 0.43 C ATOM 1836 C VAL A 121 32.190 12.449 7.540 1.00 0.40 C ATOM 1837 O VAL A 121 32.099 13.638 7.302 1.00 0.45 O ATOM 1838 CB VAL A 121 30.634 11.351 9.165 1.00 0.49 C ATOM 1839 CG1 VAL A 121 30.568 12.700 9.882 1.00 0.44 C ATOM 1840 CG2 VAL A 121 29.284 10.640 9.294 1.00 0.61 C ATOM 0 H VAL A 121 31.292 9.460 7.680 1.00 0.41 H new ATOM 0 HA VAL A 121 30.105 12.055 7.201 1.00 0.43 H new ATOM 0 HB VAL A 121 31.416 10.742 9.618 1.00 0.49 H new ATOM 0 HG11 VAL A 121 30.341 12.541 10.936 1.00 0.44 H new ATOM 0 HG12 VAL A 121 31.528 13.208 9.790 1.00 0.44 H new ATOM 0 HG13 VAL A 121 29.788 13.314 9.432 1.00 0.44 H new ATOM 0 HG21 VAL A 121 29.054 10.485 10.348 1.00 0.61 H new ATOM 0 HG22 VAL A 121 28.505 11.252 8.839 1.00 0.61 H new ATOM 0 HG23 VAL A 121 29.331 9.676 8.787 1.00 0.61 H new ATOM 1850 N ASP A 122 33.347 11.874 7.684 1.00 0.37 N ATOM 1851 CA ASP A 122 34.600 12.672 7.552 1.00 0.37 C ATOM 1852 C ASP A 122 34.673 13.277 6.148 1.00 0.33 C ATOM 1853 O ASP A 122 35.217 14.345 5.951 1.00 0.31 O ATOM 1854 CB ASP A 122 35.811 11.764 7.788 1.00 0.46 C ATOM 1855 CG ASP A 122 35.957 11.484 9.285 1.00 0.61 C ATOM 1856 OD1 ASP A 122 36.523 12.319 9.972 1.00 1.65 O ATOM 1857 OD2 ASP A 122 35.501 10.438 9.718 1.00 0.49 O ATOM 0 H ASP A 122 33.483 10.884 7.888 1.00 0.37 H new ATOM 0 HA ASP A 122 34.602 13.474 8.290 1.00 0.37 H new ATOM 0 HB2 ASP A 122 35.689 10.828 7.243 1.00 0.46 H new ATOM 0 HB3 ASP A 122 36.715 12.239 7.407 1.00 0.46 H new ATOM 1862 N GLU A 123 34.121 12.612 5.169 1.00 0.33 N ATOM 1863 CA GLU A 123 34.149 13.163 3.789 1.00 0.31 C ATOM 1864 C GLU A 123 33.115 14.294 3.713 1.00 0.25 C ATOM 1865 O GLU A 123 33.351 15.334 3.128 1.00 0.22 O ATOM 1866 CB GLU A 123 33.840 12.011 2.791 1.00 0.36 C ATOM 1867 CG GLU A 123 32.683 12.362 1.844 1.00 0.93 C ATOM 1868 CD GLU A 123 32.490 11.236 0.827 1.00 1.10 C ATOM 1869 OE1 GLU A 123 33.105 10.198 0.999 1.00 1.35 O ATOM 1870 OE2 GLU A 123 31.731 11.433 -0.108 1.00 2.04 O ATOM 0 H GLU A 123 33.653 11.711 5.268 1.00 0.33 H new ATOM 0 HA GLU A 123 35.125 13.573 3.529 1.00 0.31 H new ATOM 0 HB2 GLU A 123 34.733 11.790 2.206 1.00 0.36 H new ATOM 0 HB3 GLU A 123 33.591 11.107 3.347 1.00 0.36 H new ATOM 0 HG2 GLU A 123 31.766 12.511 2.414 1.00 0.93 H new ATOM 0 HG3 GLU A 123 32.894 13.299 1.328 1.00 0.93 H new ATOM 1877 N MET A 124 31.978 14.093 4.316 1.00 0.25 N ATOM 1878 CA MET A 124 30.924 15.144 4.307 1.00 0.20 C ATOM 1879 C MET A 124 31.421 16.364 5.092 1.00 0.16 C ATOM 1880 O MET A 124 31.072 17.489 4.799 1.00 0.13 O ATOM 1881 CB MET A 124 29.651 14.580 4.920 1.00 0.18 C ATOM 1882 CG MET A 124 29.141 13.415 4.065 1.00 0.23 C ATOM 1883 SD MET A 124 27.847 12.530 4.969 1.00 0.70 S ATOM 1884 CE MET A 124 27.073 11.740 3.536 1.00 0.46 C ATOM 0 H MET A 124 31.732 13.240 4.818 1.00 0.25 H new ATOM 0 HA MET A 124 30.707 15.456 3.285 1.00 0.20 H new ATOM 0 HB2 MET A 124 29.845 14.240 5.937 1.00 0.18 H new ATOM 0 HB3 MET A 124 28.890 15.358 4.983 1.00 0.18 H new ATOM 0 HG2 MET A 124 28.749 13.788 3.119 1.00 0.23 H new ATOM 0 HG3 MET A 124 29.961 12.738 3.826 1.00 0.23 H new ATOM 0 HE1 MET A 124 26.232 11.131 3.867 1.00 0.46 H new ATOM 0 HE2 MET A 124 26.718 12.506 2.846 1.00 0.46 H new ATOM 0 HE3 MET A 124 27.803 11.107 3.031 1.00 0.46 H new ATOM 1894 N ILE A 125 32.254 16.143 6.075 1.00 0.20 N ATOM 1895 CA ILE A 125 32.808 17.278 6.873 1.00 0.20 C ATOM 1896 C ILE A 125 33.896 17.999 6.051 1.00 0.22 C ATOM 1897 O ILE A 125 34.154 19.170 6.245 1.00 0.22 O ATOM 1898 CB ILE A 125 33.416 16.710 8.164 1.00 0.23 C ATOM 1899 CG1 ILE A 125 32.285 16.266 9.100 1.00 0.19 C ATOM 1900 CG2 ILE A 125 34.268 17.775 8.865 1.00 0.29 C ATOM 1901 CD1 ILE A 125 32.860 15.476 10.281 1.00 0.15 C ATOM 0 H ILE A 125 32.577 15.219 6.362 1.00 0.20 H new ATOM 0 HA ILE A 125 32.021 17.991 7.117 1.00 0.20 H new ATOM 0 HB ILE A 125 34.050 15.859 7.915 1.00 0.23 H new ATOM 0 HG12 ILE A 125 31.741 17.137 9.465 1.00 0.19 H new ATOM 0 HG13 ILE A 125 31.571 15.650 8.554 1.00 0.19 H new ATOM 0 HG21 ILE A 125 34.692 17.358 9.778 1.00 0.29 H new ATOM 0 HG22 ILE A 125 35.073 18.091 8.202 1.00 0.29 H new ATOM 0 HG23 ILE A 125 33.645 18.634 9.114 1.00 0.29 H new ATOM 0 HD11 ILE A 125 32.049 15.165 10.940 1.00 0.15 H new ATOM 0 HD12 ILE A 125 33.383 14.595 9.909 1.00 0.15 H new ATOM 0 HD13 ILE A 125 33.557 16.105 10.835 1.00 0.15 H new ATOM 1913 N ARG A 126 34.538 17.306 5.147 1.00 0.23 N ATOM 1914 CA ARG A 126 35.613 17.944 4.326 1.00 0.24 C ATOM 1915 C ARG A 126 35.015 19.026 3.414 1.00 0.12 C ATOM 1916 O ARG A 126 35.496 20.141 3.374 1.00 0.08 O ATOM 1917 CB ARG A 126 36.311 16.869 3.470 1.00 0.35 C ATOM 1918 CG ARG A 126 37.413 16.172 4.287 1.00 0.66 C ATOM 1919 CD ARG A 126 38.148 15.127 3.416 1.00 0.67 C ATOM 1920 NE ARG A 126 38.352 13.862 4.196 1.00 1.41 N ATOM 1921 CZ ARG A 126 38.818 13.886 5.419 1.00 1.73 C ATOM 1922 NH1 ARG A 126 39.227 15.005 5.948 1.00 1.71 N ATOM 1923 NH2 ARG A 126 38.905 12.775 6.100 1.00 2.49 N ATOM 0 H ARG A 126 34.364 16.322 4.940 1.00 0.23 H new ATOM 0 HA ARG A 126 36.340 18.410 4.992 1.00 0.24 H new ATOM 0 HB2 ARG A 126 35.581 16.135 3.129 1.00 0.35 H new ATOM 0 HB3 ARG A 126 36.742 17.326 2.580 1.00 0.35 H new ATOM 0 HG2 ARG A 126 38.123 16.911 4.657 1.00 0.66 H new ATOM 0 HG3 ARG A 126 36.976 15.686 5.159 1.00 0.66 H new ATOM 0 HD2 ARG A 126 37.569 14.920 2.516 1.00 0.67 H new ATOM 0 HD3 ARG A 126 39.110 15.523 3.092 1.00 0.67 H new ATOM 0 HE ARG A 126 38.123 12.966 3.765 1.00 1.41 H new ATOM 0 HH11 ARG A 126 39.185 15.870 5.408 1.00 1.71 H new ATOM 0 HH12 ARG A 126 39.589 15.016 6.902 1.00 1.71 H new ATOM 0 HH21 ARG A 126 38.611 11.894 5.678 1.00 2.49 H new ATOM 0 HH22 ARG A 126 39.267 12.788 7.053 1.00 2.49 H new ATOM 1937 N GLU A 127 33.989 18.712 2.665 1.00 0.16 N ATOM 1938 CA GLU A 127 33.405 19.742 1.748 1.00 0.21 C ATOM 1939 C GLU A 127 32.497 20.702 2.543 1.00 0.22 C ATOM 1940 O GLU A 127 32.226 21.804 2.110 1.00 0.31 O ATOM 1941 CB GLU A 127 32.595 19.045 0.638 1.00 0.35 C ATOM 1942 CG GLU A 127 33.533 18.596 -0.489 1.00 0.34 C ATOM 1943 CD GLU A 127 33.946 19.810 -1.326 1.00 1.46 C ATOM 1944 OE1 GLU A 127 33.241 20.117 -2.274 1.00 1.63 O ATOM 1945 OE2 GLU A 127 34.958 20.409 -1.005 1.00 2.92 O ATOM 0 H GLU A 127 33.534 17.799 2.646 1.00 0.16 H new ATOM 0 HA GLU A 127 34.212 20.318 1.294 1.00 0.21 H new ATOM 0 HB2 GLU A 127 32.066 18.184 1.047 1.00 0.35 H new ATOM 0 HB3 GLU A 127 31.840 19.726 0.245 1.00 0.35 H new ATOM 0 HG2 GLU A 127 34.416 18.113 -0.071 1.00 0.34 H new ATOM 0 HG3 GLU A 127 33.035 17.859 -1.119 1.00 0.34 H new ATOM 1952 N ALA A 128 32.074 20.322 3.722 1.00 0.16 N ATOM 1953 CA ALA A 128 31.255 21.222 4.557 1.00 0.22 C ATOM 1954 C ALA A 128 32.224 22.003 5.413 1.00 0.25 C ATOM 1955 O ALA A 128 32.453 21.650 6.543 1.00 0.22 O ATOM 1956 CB ALA A 128 30.340 20.431 5.479 1.00 0.16 C ATOM 0 H ALA A 128 32.269 19.412 4.138 1.00 0.16 H new ATOM 0 HA ALA A 128 30.636 21.860 3.925 1.00 0.22 H new ATOM 0 HB1 ALA A 128 29.748 21.119 6.083 1.00 0.16 H new ATOM 0 HB2 ALA A 128 29.674 19.807 4.883 1.00 0.16 H new ATOM 0 HB3 ALA A 128 30.941 19.799 6.133 1.00 0.16 H new ATOM 1962 N ASP A 129 32.806 23.020 4.866 1.00 0.33 N ATOM 1963 CA ASP A 129 33.811 23.848 5.608 1.00 0.41 C ATOM 1964 C ASP A 129 33.353 24.018 7.061 1.00 0.42 C ATOM 1965 O ASP A 129 32.733 24.992 7.440 1.00 0.47 O ATOM 1966 CB ASP A 129 33.922 25.214 4.920 1.00 0.54 C ATOM 1967 CG ASP A 129 32.549 25.637 4.390 1.00 1.75 C ATOM 1968 OD1 ASP A 129 31.600 25.579 5.154 1.00 2.82 O ATOM 1969 OD2 ASP A 129 32.473 26.013 3.234 1.00 2.07 O ATOM 0 H ASP A 129 32.630 23.329 3.910 1.00 0.33 H new ATOM 0 HA ASP A 129 34.786 23.360 5.604 1.00 0.41 H new ATOM 0 HB2 ASP A 129 34.296 25.957 5.624 1.00 0.54 H new ATOM 0 HB3 ASP A 129 34.639 25.162 4.101 1.00 0.54 H new ATOM 1974 N ILE A 130 33.616 23.011 7.842 1.00 0.38 N ATOM 1975 CA ILE A 130 33.179 22.977 9.262 1.00 0.38 C ATOM 1976 C ILE A 130 34.139 23.750 10.166 1.00 0.49 C ATOM 1977 O ILE A 130 33.973 23.830 11.367 1.00 0.58 O ATOM 1978 CB ILE A 130 33.114 21.484 9.643 1.00 0.29 C ATOM 1979 CG1 ILE A 130 31.771 20.834 9.121 1.00 0.20 C ATOM 1980 CG2 ILE A 130 33.324 21.293 11.147 1.00 0.27 C ATOM 1981 CD1 ILE A 130 31.045 20.030 10.216 1.00 0.12 C ATOM 0 H ILE A 130 34.133 22.184 7.544 1.00 0.38 H new ATOM 0 HA ILE A 130 32.211 23.461 9.391 1.00 0.38 H new ATOM 0 HB ILE A 130 33.931 20.958 9.149 1.00 0.29 H new ATOM 0 HG12 ILE A 130 31.110 21.618 8.751 1.00 0.20 H new ATOM 0 HG13 ILE A 130 31.991 20.179 8.278 1.00 0.20 H new ATOM 0 HG21 ILE A 130 33.274 20.232 11.390 1.00 0.27 H new ATOM 0 HG22 ILE A 130 34.301 21.684 11.430 1.00 0.27 H new ATOM 0 HG23 ILE A 130 32.547 21.827 11.694 1.00 0.27 H new ATOM 0 HD11 ILE A 130 30.129 19.604 9.807 1.00 0.12 H new ATOM 0 HD12 ILE A 130 31.693 19.227 10.568 1.00 0.12 H new ATOM 0 HD13 ILE A 130 30.799 20.689 11.048 1.00 0.12 H new ATOM 2024 N GLY A 134 33.218 27.465 13.458 1.00 0.53 N ATOM 2025 CA GLY A 134 33.149 26.590 14.669 1.00 0.26 C ATOM 2026 C GLY A 134 31.766 25.941 14.739 1.00 0.16 C ATOM 2027 O GLY A 134 31.602 24.862 15.274 1.00 0.18 O ATOM 0 HA2 GLY A 134 33.922 25.823 14.623 1.00 0.26 H new ATOM 0 HA3 GLY A 134 33.335 27.177 15.568 1.00 0.26 H new ATOM 2031 N GLN A 135 30.776 26.594 14.192 1.00 0.13 N ATOM 2032 CA GLN A 135 29.382 26.049 14.192 1.00 0.05 C ATOM 2033 C GLN A 135 28.892 25.994 12.744 1.00 0.13 C ATOM 2034 O GLN A 135 29.308 26.781 11.916 1.00 0.27 O ATOM 2035 CB GLN A 135 28.479 26.977 15.011 1.00 0.06 C ATOM 2036 CG GLN A 135 29.185 27.368 16.319 1.00 0.23 C ATOM 2037 CD GLN A 135 28.152 27.842 17.346 1.00 0.36 C ATOM 2038 OE1 GLN A 135 27.154 27.183 17.570 1.00 0.60 O ATOM 2039 NE2 GLN A 135 28.350 28.963 17.984 1.00 0.84 N ATOM 0 H GLN A 135 30.874 27.501 13.735 1.00 0.13 H new ATOM 0 HA GLN A 135 29.359 25.052 14.632 1.00 0.05 H new ATOM 0 HB2 GLN A 135 28.241 27.871 14.434 1.00 0.06 H new ATOM 0 HB3 GLN A 135 27.535 26.479 15.231 1.00 0.06 H new ATOM 0 HG2 GLN A 135 29.738 26.515 16.713 1.00 0.23 H new ATOM 0 HG3 GLN A 135 29.911 28.158 16.129 1.00 0.23 H new ATOM 0 HE21 GLN A 135 29.187 29.516 17.796 1.00 0.84 H new ATOM 0 HE22 GLN A 135 27.668 29.287 18.670 1.00 0.84 H new ATOM 2048 N VAL A 136 28.030 25.059 12.417 1.00 0.10 N ATOM 2049 CA VAL A 136 27.541 24.948 11.011 1.00 0.17 C ATOM 2050 C VAL A 136 26.039 24.654 11.019 1.00 0.27 C ATOM 2051 O VAL A 136 25.534 23.985 11.899 1.00 0.31 O ATOM 2052 CB VAL A 136 28.268 23.770 10.337 1.00 0.09 C ATOM 2053 CG1 VAL A 136 28.338 23.952 8.812 1.00 0.17 C ATOM 2054 CG2 VAL A 136 29.685 23.643 10.892 1.00 0.09 C ATOM 0 H VAL A 136 27.646 24.370 13.064 1.00 0.10 H new ATOM 0 HA VAL A 136 27.732 25.877 10.475 1.00 0.17 H new ATOM 0 HB VAL A 136 27.701 22.865 10.553 1.00 0.09 H new ATOM 0 HG11 VAL A 136 28.857 23.103 8.368 1.00 0.17 H new ATOM 0 HG12 VAL A 136 27.328 24.013 8.406 1.00 0.17 H new ATOM 0 HG13 VAL A 136 28.878 24.870 8.580 1.00 0.17 H new ATOM 0 HG21 VAL A 136 30.191 22.807 10.409 1.00 0.09 H new ATOM 0 HG22 VAL A 136 30.236 24.563 10.697 1.00 0.09 H new ATOM 0 HG23 VAL A 136 29.640 23.468 11.967 1.00 0.09 H new ATOM 2064 N ASN A 137 25.333 25.105 10.026 1.00 0.37 N ATOM 2065 CA ASN A 137 23.882 24.802 9.958 1.00 0.49 C ATOM 2066 C ASN A 137 23.746 23.398 9.367 1.00 0.43 C ATOM 2067 O ASN A 137 24.724 22.786 8.987 1.00 0.71 O ATOM 2068 CB ASN A 137 23.166 25.838 9.081 1.00 0.65 C ATOM 2069 CG ASN A 137 21.775 25.334 8.685 1.00 1.69 C ATOM 2070 OD1 ASN A 137 21.533 25.022 7.536 1.00 1.74 O ATOM 2071 ND2 ASN A 137 20.845 25.238 9.596 1.00 2.76 N ATOM 0 H ASN A 137 25.697 25.670 9.259 1.00 0.37 H new ATOM 0 HA ASN A 137 23.424 24.844 10.946 1.00 0.49 H new ATOM 0 HB2 ASN A 137 23.078 26.781 9.620 1.00 0.65 H new ATOM 0 HB3 ASN A 137 23.756 26.036 8.186 1.00 0.65 H new ATOM 0 HD21 ASN A 137 19.916 24.901 9.343 1.00 2.76 H new ATOM 0 HD22 ASN A 137 21.047 25.500 10.561 1.00 2.76 H new ATOM 2078 N TYR A 138 22.559 22.869 9.321 1.00 0.46 N ATOM 2079 CA TYR A 138 22.364 21.472 8.793 1.00 0.42 C ATOM 2080 C TYR A 138 21.771 21.466 7.367 1.00 0.37 C ATOM 2081 O TYR A 138 22.008 20.538 6.626 1.00 0.30 O ATOM 2082 CB TYR A 138 21.429 20.706 9.758 1.00 0.51 C ATOM 2083 CG TYR A 138 20.513 21.688 10.455 1.00 0.32 C ATOM 2084 CD1 TYR A 138 20.996 22.466 11.516 1.00 1.35 C ATOM 2085 CD2 TYR A 138 19.187 21.831 10.030 1.00 1.61 C ATOM 2086 CE1 TYR A 138 20.154 23.387 12.147 1.00 1.57 C ATOM 2087 CE2 TYR A 138 18.345 22.750 10.662 1.00 1.41 C ATOM 2088 CZ TYR A 138 18.827 23.532 11.716 1.00 0.34 C ATOM 2089 OH TYR A 138 17.994 24.438 12.337 1.00 0.52 O ATOM 0 H TYR A 138 21.705 23.337 9.625 1.00 0.46 H new ATOM 0 HA TYR A 138 23.338 20.986 8.735 1.00 0.42 H new ATOM 0 HB2 TYR A 138 20.841 19.972 9.207 1.00 0.51 H new ATOM 0 HB3 TYR A 138 22.018 20.156 10.493 1.00 0.51 H new ATOM 0 HD1 TYR A 138 22.018 22.354 11.846 1.00 1.35 H new ATOM 0 HD2 TYR A 138 18.814 21.231 9.213 1.00 1.61 H new ATOM 0 HE1 TYR A 138 20.525 23.986 12.965 1.00 1.57 H new ATOM 0 HE2 TYR A 138 17.321 22.856 10.336 1.00 1.41 H new ATOM 0 HH TYR A 138 17.110 24.413 11.915 1.00 0.52 H new ATOM 2099 N GLU A 139 20.990 22.456 6.975 1.00 0.44 N ATOM 2100 CA GLU A 139 20.379 22.441 5.601 1.00 0.40 C ATOM 2101 C GLU A 139 21.380 21.916 4.565 1.00 0.31 C ATOM 2102 O GLU A 139 21.034 21.141 3.696 1.00 0.31 O ATOM 2103 CB GLU A 139 19.890 23.867 5.235 1.00 0.44 C ATOM 2104 CG GLU A 139 20.989 24.707 4.549 1.00 1.52 C ATOM 2105 CD GLU A 139 21.095 24.323 3.068 1.00 2.65 C ATOM 2106 OE1 GLU A 139 20.069 24.042 2.472 1.00 2.59 O ATOM 2107 OE2 GLU A 139 22.203 24.325 2.556 1.00 3.92 O ATOM 0 H GLU A 139 20.752 23.268 7.545 1.00 0.44 H new ATOM 0 HA GLU A 139 19.523 21.766 5.599 1.00 0.40 H new ATOM 0 HB2 GLU A 139 19.026 23.794 4.574 1.00 0.44 H new ATOM 0 HB3 GLU A 139 19.557 24.377 6.139 1.00 0.44 H new ATOM 0 HG2 GLU A 139 20.759 25.768 4.642 1.00 1.52 H new ATOM 0 HG3 GLU A 139 21.946 24.544 5.045 1.00 1.52 H new ATOM 2114 N GLU A 140 22.610 22.320 4.648 1.00 0.26 N ATOM 2115 CA GLU A 140 23.617 21.827 3.669 1.00 0.15 C ATOM 2116 C GLU A 140 23.926 20.355 3.971 1.00 0.13 C ATOM 2117 O GLU A 140 24.047 19.534 3.076 1.00 0.10 O ATOM 2118 CB GLU A 140 24.899 22.660 3.792 1.00 0.17 C ATOM 2119 CG GLU A 140 25.736 22.511 2.516 1.00 1.19 C ATOM 2120 CD GLU A 140 25.106 23.334 1.392 1.00 1.43 C ATOM 2121 OE1 GLU A 140 25.397 24.517 1.318 1.00 1.16 O ATOM 2122 OE2 GLU A 140 24.340 22.772 0.629 1.00 2.66 O ATOM 0 H GLU A 140 22.965 22.970 5.349 1.00 0.26 H new ATOM 0 HA GLU A 140 23.226 21.919 2.656 1.00 0.15 H new ATOM 0 HB2 GLU A 140 24.649 23.708 3.954 1.00 0.17 H new ATOM 0 HB3 GLU A 140 25.476 22.332 4.657 1.00 0.17 H new ATOM 0 HG2 GLU A 140 26.757 22.846 2.697 1.00 1.19 H new ATOM 0 HG3 GLU A 140 25.791 21.462 2.225 1.00 1.19 H new ATOM 2129 N PHE A 141 24.060 20.019 5.223 1.00 0.18 N ATOM 2130 CA PHE A 141 24.369 18.603 5.595 1.00 0.17 C ATOM 2131 C PHE A 141 23.125 17.721 5.384 1.00 0.18 C ATOM 2132 O PHE A 141 23.233 16.519 5.239 1.00 0.16 O ATOM 2133 CB PHE A 141 24.825 18.554 7.082 1.00 0.18 C ATOM 2134 CG PHE A 141 26.281 18.148 7.178 1.00 0.15 C ATOM 2135 CD1 PHE A 141 26.637 16.806 7.024 1.00 0.21 C ATOM 2136 CD2 PHE A 141 27.269 19.110 7.429 1.00 0.14 C ATOM 2137 CE1 PHE A 141 27.980 16.424 7.119 1.00 0.17 C ATOM 2138 CE2 PHE A 141 28.620 18.718 7.522 1.00 0.13 C ATOM 2139 CZ PHE A 141 28.964 17.379 7.367 1.00 0.11 C ATOM 0 H PHE A 141 23.969 20.662 6.009 1.00 0.18 H new ATOM 0 HA PHE A 141 25.171 18.223 4.962 1.00 0.17 H new ATOM 0 HB2 PHE A 141 24.683 19.531 7.544 1.00 0.18 H new ATOM 0 HB3 PHE A 141 24.207 17.846 7.635 1.00 0.18 H new ATOM 0 HD1 PHE A 141 25.876 16.064 6.832 1.00 0.21 H new ATOM 0 HD2 PHE A 141 26.996 20.148 7.551 1.00 0.14 H new ATOM 0 HE1 PHE A 141 28.254 15.386 7.000 1.00 0.17 H new ATOM 0 HE2 PHE A 141 29.386 19.455 7.713 1.00 0.13 H new ATOM 0 HZ PHE A 141 29.999 17.078 7.439 1.00 0.11 H new ATOM 2149 N VAL A 142 21.950 18.295 5.363 1.00 0.24 N ATOM 2150 CA VAL A 142 20.727 17.468 5.160 1.00 0.26 C ATOM 2151 C VAL A 142 20.711 16.949 3.720 1.00 0.25 C ATOM 2152 O VAL A 142 20.512 15.777 3.466 1.00 0.27 O ATOM 2153 CB VAL A 142 19.475 18.324 5.381 1.00 0.31 C ATOM 2154 CG1 VAL A 142 18.234 17.477 5.067 1.00 0.34 C ATOM 2155 CG2 VAL A 142 19.420 18.827 6.846 1.00 0.31 C ATOM 0 H VAL A 142 21.786 19.295 5.477 1.00 0.24 H new ATOM 0 HA VAL A 142 20.734 16.639 5.867 1.00 0.26 H new ATOM 0 HB VAL A 142 19.505 19.192 4.722 1.00 0.31 H new ATOM 0 HG11 VAL A 142 17.336 18.076 5.221 1.00 0.34 H new ATOM 0 HG12 VAL A 142 18.274 17.143 4.030 1.00 0.34 H new ATOM 0 HG13 VAL A 142 18.209 16.610 5.727 1.00 0.34 H new ATOM 0 HG21 VAL A 142 18.526 19.434 6.989 1.00 0.31 H new ATOM 0 HG22 VAL A 142 19.391 17.973 7.523 1.00 0.31 H new ATOM 0 HG23 VAL A 142 20.304 19.428 7.058 1.00 0.31 H new ATOM 2165 N GLN A 143 20.907 17.832 2.775 1.00 0.24 N ATOM 2166 CA GLN A 143 20.895 17.429 1.339 1.00 0.22 C ATOM 2167 C GLN A 143 22.048 16.462 1.055 1.00 0.19 C ATOM 2168 O GLN A 143 21.981 15.647 0.158 1.00 0.20 O ATOM 2169 CB GLN A 143 21.053 18.677 0.469 1.00 0.19 C ATOM 2170 CG GLN A 143 19.786 19.536 0.571 1.00 0.27 C ATOM 2171 CD GLN A 143 20.086 20.959 0.088 1.00 0.61 C ATOM 2172 OE1 GLN A 143 19.546 21.915 0.605 1.00 1.84 O ATOM 2173 NE2 GLN A 143 20.934 21.137 -0.889 1.00 1.76 N ATOM 0 H GLN A 143 21.076 18.824 2.940 1.00 0.24 H new ATOM 0 HA GLN A 143 19.952 16.933 1.111 1.00 0.22 H new ATOM 0 HB2 GLN A 143 21.921 19.251 0.792 1.00 0.19 H new ATOM 0 HB3 GLN A 143 21.228 18.391 -0.568 1.00 0.19 H new ATOM 0 HG2 GLN A 143 18.989 19.098 -0.030 1.00 0.27 H new ATOM 0 HG3 GLN A 143 19.432 19.559 1.602 1.00 0.27 H new ATOM 0 HE21 GLN A 143 21.388 20.333 -1.323 1.00 1.76 H new ATOM 0 HE22 GLN A 143 21.143 22.080 -1.218 1.00 1.76 H new ATOM 2182 N MET A 144 23.112 16.550 1.802 1.00 0.17 N ATOM 2183 CA MET A 144 24.262 15.633 1.555 1.00 0.15 C ATOM 2184 C MET A 144 23.899 14.216 2.012 1.00 0.14 C ATOM 2185 O MET A 144 24.279 13.242 1.393 1.00 0.12 O ATOM 2186 CB MET A 144 25.491 16.150 2.321 1.00 0.14 C ATOM 2187 CG MET A 144 26.166 17.294 1.530 1.00 0.16 C ATOM 2188 SD MET A 144 26.864 18.509 2.679 1.00 0.82 S ATOM 2189 CE MET A 144 27.893 17.372 3.634 1.00 2.22 C ATOM 0 H MET A 144 23.237 17.212 2.568 1.00 0.17 H new ATOM 0 HA MET A 144 24.493 15.604 0.490 1.00 0.15 H new ATOM 0 HB2 MET A 144 25.192 16.506 3.307 1.00 0.14 H new ATOM 0 HB3 MET A 144 26.200 15.337 2.477 1.00 0.14 H new ATOM 0 HG2 MET A 144 26.952 16.892 0.891 1.00 0.16 H new ATOM 0 HG3 MET A 144 25.438 17.775 0.876 1.00 0.16 H new ATOM 0 HE1 MET A 144 28.564 17.941 4.277 1.00 2.22 H new ATOM 0 HE2 MET A 144 27.257 16.734 4.248 1.00 2.22 H new ATOM 0 HE3 MET A 144 28.479 16.754 2.954 1.00 2.22 H new ATOM 2199 N MET A 145 23.165 14.087 3.082 1.00 0.17 N ATOM 2200 CA MET A 145 22.783 12.728 3.558 1.00 0.17 C ATOM 2201 C MET A 145 21.762 12.108 2.596 1.00 0.18 C ATOM 2202 O MET A 145 21.594 10.905 2.547 1.00 0.17 O ATOM 2203 CB MET A 145 22.166 12.827 4.963 1.00 0.17 C ATOM 2204 CG MET A 145 23.234 13.267 5.998 1.00 0.17 C ATOM 2205 SD MET A 145 23.154 12.199 7.463 1.00 0.16 S ATOM 2206 CE MET A 145 21.590 12.807 8.145 1.00 0.23 C ATOM 0 H MET A 145 22.814 14.861 3.646 1.00 0.17 H new ATOM 0 HA MET A 145 23.673 12.100 3.594 1.00 0.17 H new ATOM 0 HB2 MET A 145 21.343 13.542 4.955 1.00 0.17 H new ATOM 0 HB3 MET A 145 21.748 11.863 5.251 1.00 0.17 H new ATOM 0 HG2 MET A 145 24.228 13.214 5.553 1.00 0.17 H new ATOM 0 HG3 MET A 145 23.068 14.305 6.285 1.00 0.17 H new ATOM 0 HE1 MET A 145 21.618 12.743 9.233 1.00 0.23 H new ATOM 0 HE2 MET A 145 21.442 13.845 7.847 1.00 0.23 H new ATOM 0 HE3 MET A 145 20.768 12.200 7.767 1.00 0.23 H new ATOM 2216 N THR A 146 21.071 12.914 1.833 1.00 0.19 N ATOM 2217 CA THR A 146 20.068 12.384 0.893 1.00 0.19 C ATOM 2218 C THR A 146 20.763 11.913 -0.381 1.00 0.20 C ATOM 2219 O THR A 146 20.133 11.574 -1.363 1.00 0.98 O ATOM 2220 CB THR A 146 19.114 13.524 0.585 1.00 0.20 C ATOM 2221 OG1 THR A 146 19.851 14.729 0.498 1.00 0.69 O ATOM 2222 CG2 THR A 146 18.084 13.638 1.700 1.00 0.39 C ATOM 0 H THR A 146 21.168 13.929 1.829 1.00 0.19 H new ATOM 0 HA THR A 146 19.531 11.535 1.316 1.00 0.19 H new ATOM 0 HB THR A 146 18.603 13.334 -0.359 1.00 0.20 H new ATOM 0 HG1 THR A 146 20.686 14.567 0.012 1.00 0.69 H new ATOM 0 HG21 THR A 146 17.398 14.456 1.480 1.00 0.39 H new ATOM 0 HG22 THR A 146 17.524 12.706 1.775 1.00 0.39 H new ATOM 0 HG23 THR A 146 18.591 13.834 2.645 1.00 0.39 H new