USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=19 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 Set 1.1: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 137 ASN : amide:sc= -2.17! C(o=-2.2!,f=-2.2!) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -49:sc= 0.926 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 -170:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0435 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00154 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -46:sc= 1.09 USER MOD Single : A 41 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.12) USER MOD Single : A 42 ASN : amide:sc= -2.21! C(o=-2.2!,f=-3!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.478 USER MOD Single : A 49 GLN : amide:sc= -0.453 K(o=-0.45,f=-3.9!) 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 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -166:sc= -0.0894 (180deg=-0.623) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.0881 X(o=-0.088,f=-0.21) USER MOD Single : A 109 MET CE :methyl -178:sc= -2.65 (180deg=-2.77) USER MOD Single : A 110 THR OG1 : rot -60:sc= -0.611 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 115 LYS NZ :NH3+ -179:sc= -2.22 (180deg=-2.23) USER MOD Single : A 117 THR OG1 : rot -70:sc= 0.788 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -146:sc= -0.244 (180deg=-2.62!) USER MOD Single : A 146 THR OG1 : rot 88:sc= -0.66! USER MOD ----------------------------------------------------------------- ATOM 105 N GLN A 8 13.992 1.892 -3.518 1.00 0.29 N ATOM 106 CA GLN A 8 12.694 2.341 -2.942 1.00 0.26 C ATOM 107 C GLN A 8 11.583 1.406 -3.421 1.00 0.21 C ATOM 108 O GLN A 8 10.675 1.078 -2.682 1.00 0.20 O ATOM 109 CB GLN A 8 12.399 3.778 -3.386 1.00 0.31 C ATOM 110 CG GLN A 8 13.317 4.741 -2.633 1.00 0.42 C ATOM 111 CD GLN A 8 13.084 6.169 -3.133 1.00 0.36 C ATOM 112 OE1 GLN A 8 12.660 6.372 -4.253 1.00 0.34 O ATOM 113 NE2 GLN A 8 13.342 7.174 -2.340 1.00 0.36 N ATOM 0 HA GLN A 8 12.746 2.314 -1.854 1.00 0.26 H new ATOM 0 HB2 GLN A 8 12.553 3.877 -4.461 1.00 0.31 H new ATOM 0 HB3 GLN A 8 11.356 4.024 -3.189 1.00 0.31 H new ATOM 0 HG2 GLN A 8 13.122 4.683 -1.562 1.00 0.42 H new ATOM 0 HG3 GLN A 8 14.359 4.458 -2.782 1.00 0.42 H new ATOM 0 HE21 GLN A 8 13.698 7.003 -1.400 1.00 0.36 H new ATOM 0 HE22 GLN A 8 13.187 8.130 -2.661 1.00 0.36 H new ATOM 122 N ILE A 9 11.650 0.961 -4.648 1.00 0.21 N ATOM 123 CA ILE A 9 10.596 0.037 -5.155 1.00 0.19 C ATOM 124 C ILE A 9 10.739 -1.312 -4.448 1.00 0.20 C ATOM 125 O ILE A 9 9.765 -1.975 -4.154 1.00 0.22 O ATOM 126 CB ILE A 9 10.759 -0.156 -6.665 1.00 0.21 C ATOM 127 CG1 ILE A 9 10.507 1.180 -7.370 1.00 0.19 C ATOM 128 CG2 ILE A 9 9.750 -1.200 -7.158 1.00 0.25 C ATOM 129 CD1 ILE A 9 10.822 1.048 -8.861 1.00 0.23 C ATOM 0 H ILE A 9 12.384 1.196 -5.316 1.00 0.21 H new ATOM 0 HA ILE A 9 9.611 0.458 -4.955 1.00 0.19 H new ATOM 0 HB ILE A 9 11.769 -0.501 -6.887 1.00 0.21 H new ATOM 0 HG12 ILE A 9 9.469 1.483 -7.234 1.00 0.19 H new ATOM 0 HG13 ILE A 9 11.127 1.959 -6.926 1.00 0.19 H new ATOM 0 HG21 ILE A 9 9.865 -1.338 -8.233 1.00 0.25 H new ATOM 0 HG22 ILE A 9 9.929 -2.147 -6.649 1.00 0.25 H new ATOM 0 HG23 ILE A 9 8.738 -0.858 -6.943 1.00 0.25 H new ATOM 0 HD11 ILE A 9 10.641 2.002 -9.357 1.00 0.23 H new ATOM 0 HD12 ILE A 9 11.867 0.765 -8.988 1.00 0.23 H new ATOM 0 HD13 ILE A 9 10.183 0.283 -9.302 1.00 0.23 H new ATOM 141 N ALA A 10 11.947 -1.718 -4.167 1.00 0.23 N ATOM 142 CA ALA A 10 12.148 -3.018 -3.475 1.00 0.26 C ATOM 143 C ALA A 10 11.715 -2.885 -2.012 1.00 0.23 C ATOM 144 O ALA A 10 11.041 -3.741 -1.483 1.00 0.35 O ATOM 145 CB ALA A 10 13.631 -3.421 -3.562 1.00 0.32 C ATOM 0 H ALA A 10 12.801 -1.205 -4.387 1.00 0.23 H new ATOM 0 HA ALA A 10 11.546 -3.790 -3.953 1.00 0.26 H new ATOM 0 HB1 ALA A 10 13.779 -4.374 -3.055 1.00 0.32 H new ATOM 0 HB2 ALA A 10 13.921 -3.518 -4.608 1.00 0.32 H new ATOM 0 HB3 ALA A 10 14.244 -2.657 -3.085 1.00 0.32 H new ATOM 151 N GLU A 11 12.084 -1.814 -1.358 1.00 0.14 N ATOM 152 CA GLU A 11 11.684 -1.639 0.065 1.00 0.13 C ATOM 153 C GLU A 11 10.181 -1.885 0.201 1.00 0.08 C ATOM 154 O GLU A 11 9.740 -2.655 1.028 1.00 0.08 O ATOM 155 CB GLU A 11 12.043 -0.196 0.504 1.00 0.22 C ATOM 156 CG GLU A 11 12.937 -0.223 1.745 1.00 0.71 C ATOM 157 CD GLU A 11 13.193 1.209 2.220 1.00 0.80 C ATOM 158 OE1 GLU A 11 13.682 1.996 1.430 1.00 1.71 O ATOM 159 OE2 GLU A 11 12.893 1.492 3.369 1.00 0.74 O ATOM 0 H GLU A 11 12.644 -1.056 -1.749 1.00 0.14 H new ATOM 0 HA GLU A 11 12.210 -2.350 0.702 1.00 0.13 H new ATOM 0 HB2 GLU A 11 12.553 0.322 -0.308 1.00 0.22 H new ATOM 0 HB3 GLU A 11 11.132 0.364 0.716 1.00 0.22 H new ATOM 0 HG2 GLU A 11 12.461 -0.801 2.537 1.00 0.71 H new ATOM 0 HG3 GLU A 11 13.882 -0.716 1.515 1.00 0.71 H new ATOM 166 N PHE A 12 9.396 -1.239 -0.607 1.00 0.07 N ATOM 167 CA PHE A 12 7.928 -1.440 -0.520 1.00 0.08 C ATOM 168 C PHE A 12 7.593 -2.870 -0.936 1.00 0.09 C ATOM 169 O PHE A 12 6.650 -3.460 -0.446 1.00 0.11 O ATOM 170 CB PHE A 12 7.214 -0.461 -1.454 1.00 0.12 C ATOM 171 CG PHE A 12 7.740 0.962 -1.297 1.00 0.07 C ATOM 172 CD1 PHE A 12 8.306 1.417 -0.086 1.00 0.35 C ATOM 173 CD2 PHE A 12 7.636 1.844 -2.384 1.00 0.29 C ATOM 174 CE1 PHE A 12 8.758 2.739 0.019 1.00 0.36 C ATOM 175 CE2 PHE A 12 8.092 3.159 -2.270 1.00 0.29 C ATOM 176 CZ PHE A 12 8.650 3.607 -1.072 1.00 0.12 C ATOM 0 H PHE A 12 9.706 -0.582 -1.323 1.00 0.07 H new ATOM 0 HA PHE A 12 7.599 -1.264 0.504 1.00 0.08 H new ATOM 0 HB2 PHE A 12 7.344 -0.784 -2.487 1.00 0.12 H new ATOM 0 HB3 PHE A 12 6.144 -0.477 -1.247 1.00 0.12 H new ATOM 0 HD1 PHE A 12 8.390 0.748 0.757 1.00 0.35 H new ATOM 0 HD2 PHE A 12 7.201 1.504 -3.312 1.00 0.29 H new ATOM 0 HE1 PHE A 12 9.191 3.088 0.945 1.00 0.36 H new ATOM 0 HE2 PHE A 12 8.013 3.831 -3.112 1.00 0.29 H new ATOM 0 HZ PHE A 12 8.999 4.626 -0.987 1.00 0.12 H new ATOM 186 N LYS A 13 8.354 -3.440 -1.826 1.00 0.10 N ATOM 187 CA LYS A 13 8.058 -4.834 -2.248 1.00 0.12 C ATOM 188 C LYS A 13 8.206 -5.763 -1.041 1.00 0.12 C ATOM 189 O LYS A 13 7.404 -6.650 -0.832 1.00 0.09 O ATOM 190 CB LYS A 13 9.024 -5.264 -3.356 1.00 0.12 C ATOM 191 CG LYS A 13 8.666 -6.682 -3.848 1.00 0.23 C ATOM 192 CD LYS A 13 9.145 -6.880 -5.300 1.00 0.08 C ATOM 193 CE LYS A 13 8.073 -6.396 -6.283 1.00 0.27 C ATOM 194 NZ LYS A 13 8.599 -6.485 -7.675 1.00 1.02 N ATOM 0 H LYS A 13 9.160 -3.006 -2.275 1.00 0.10 H new ATOM 0 HA LYS A 13 7.039 -4.889 -2.632 1.00 0.12 H new ATOM 0 HB2 LYS A 13 8.975 -4.559 -4.186 1.00 0.12 H new ATOM 0 HB3 LYS A 13 10.048 -5.247 -2.983 1.00 0.12 H new ATOM 0 HG2 LYS A 13 9.128 -7.427 -3.200 1.00 0.23 H new ATOM 0 HG3 LYS A 13 7.588 -6.834 -3.789 1.00 0.23 H new ATOM 0 HD2 LYS A 13 10.072 -6.331 -5.463 1.00 0.08 H new ATOM 0 HD3 LYS A 13 9.363 -7.933 -5.478 1.00 0.08 H new ATOM 0 HE2 LYS A 13 7.173 -7.002 -6.184 1.00 0.27 H new ATOM 0 HE3 LYS A 13 7.792 -5.368 -6.054 1.00 0.27 H new ATOM 0 HZ1 LYS A 13 7.872 -6.157 -8.342 1.00 1.02 H new ATOM 0 HZ2 LYS A 13 9.446 -5.888 -7.765 1.00 1.02 H new ATOM 0 HZ3 LYS A 13 8.846 -7.472 -7.890 1.00 1.02 H new ATOM 208 N GLU A 14 9.219 -5.565 -0.233 1.00 0.15 N ATOM 209 CA GLU A 14 9.383 -6.447 0.961 1.00 0.16 C ATOM 210 C GLU A 14 8.191 -6.248 1.896 1.00 0.15 C ATOM 211 O GLU A 14 7.533 -7.187 2.296 1.00 0.15 O ATOM 212 CB GLU A 14 10.677 -6.100 1.711 1.00 0.19 C ATOM 213 CG GLU A 14 11.827 -5.884 0.716 1.00 0.29 C ATOM 214 CD GLU A 14 13.171 -6.146 1.404 1.00 0.83 C ATOM 215 OE1 GLU A 14 13.669 -5.244 2.056 1.00 2.17 O ATOM 216 OE2 GLU A 14 13.679 -7.248 1.266 1.00 0.42 O ATOM 0 H GLU A 14 9.929 -4.842 -0.347 1.00 0.15 H new ATOM 0 HA GLU A 14 9.435 -7.485 0.631 1.00 0.16 H new ATOM 0 HB2 GLU A 14 10.529 -5.200 2.308 1.00 0.19 H new ATOM 0 HB3 GLU A 14 10.931 -6.903 2.403 1.00 0.19 H new ATOM 0 HG2 GLU A 14 11.710 -6.551 -0.138 1.00 0.29 H new ATOM 0 HG3 GLU A 14 11.799 -4.865 0.331 1.00 0.29 H new ATOM 223 N ALA A 15 7.915 -5.023 2.249 1.00 0.18 N ATOM 224 CA ALA A 15 6.767 -4.752 3.163 1.00 0.17 C ATOM 225 C ALA A 15 5.477 -5.269 2.528 1.00 0.14 C ATOM 226 O ALA A 15 4.567 -5.702 3.207 1.00 0.12 O ATOM 227 CB ALA A 15 6.650 -3.244 3.406 1.00 0.21 C ATOM 0 H ALA A 15 8.433 -4.198 1.945 1.00 0.18 H new ATOM 0 HA ALA A 15 6.932 -5.260 4.113 1.00 0.17 H new ATOM 0 HB1 ALA A 15 5.811 -3.047 4.074 1.00 0.21 H new ATOM 0 HB2 ALA A 15 7.570 -2.876 3.861 1.00 0.21 H new ATOM 0 HB3 ALA A 15 6.486 -2.734 2.457 1.00 0.21 H new ATOM 233 N PHE A 16 5.392 -5.227 1.229 1.00 0.17 N ATOM 234 CA PHE A 16 4.164 -5.712 0.541 1.00 0.13 C ATOM 235 C PHE A 16 4.108 -7.240 0.592 1.00 0.10 C ATOM 236 O PHE A 16 3.063 -7.828 0.793 1.00 0.05 O ATOM 237 CB PHE A 16 4.199 -5.250 -0.914 1.00 0.15 C ATOM 238 CG PHE A 16 2.837 -5.424 -1.536 1.00 0.15 C ATOM 239 CD1 PHE A 16 1.888 -4.397 -1.445 1.00 0.16 C ATOM 240 CD2 PHE A 16 2.528 -6.607 -2.216 1.00 0.15 C ATOM 241 CE1 PHE A 16 0.630 -4.557 -2.030 1.00 0.15 C ATOM 242 CE2 PHE A 16 1.269 -6.766 -2.804 1.00 0.15 C ATOM 243 CZ PHE A 16 0.321 -5.739 -2.710 1.00 0.15 C ATOM 0 H PHE A 16 6.124 -4.876 0.611 1.00 0.17 H new ATOM 0 HA PHE A 16 3.282 -5.309 1.038 1.00 0.13 H new ATOM 0 HB2 PHE A 16 4.502 -4.204 -0.966 1.00 0.15 H new ATOM 0 HB3 PHE A 16 4.939 -5.825 -1.470 1.00 0.15 H new ATOM 0 HD1 PHE A 16 2.129 -3.483 -0.923 1.00 0.16 H new ATOM 0 HD2 PHE A 16 3.261 -7.397 -2.287 1.00 0.15 H new ATOM 0 HE1 PHE A 16 -0.104 -3.768 -1.957 1.00 0.15 H new ATOM 0 HE2 PHE A 16 1.028 -7.678 -3.329 1.00 0.15 H new ATOM 0 HZ PHE A 16 -0.651 -5.861 -3.164 1.00 0.15 H new ATOM 253 N SER A 17 5.223 -7.888 0.404 1.00 0.16 N ATOM 254 CA SER A 17 5.239 -9.376 0.433 1.00 0.16 C ATOM 255 C SER A 17 4.979 -9.880 1.855 1.00 0.12 C ATOM 256 O SER A 17 4.383 -10.918 2.056 1.00 0.15 O ATOM 257 CB SER A 17 6.609 -9.868 -0.034 1.00 0.26 C ATOM 258 OG SER A 17 7.549 -9.716 1.022 1.00 1.28 O ATOM 0 H SER A 17 6.127 -7.449 0.231 1.00 0.16 H new ATOM 0 HA SER A 17 4.458 -9.756 -0.226 1.00 0.16 H new ATOM 0 HB2 SER A 17 6.549 -10.914 -0.335 1.00 0.26 H new ATOM 0 HB3 SER A 17 6.932 -9.303 -0.908 1.00 0.26 H new ATOM 0 HG SER A 17 7.484 -8.810 1.390 1.00 1.28 H new ATOM 264 N LEU A 18 5.432 -9.158 2.843 1.00 0.12 N ATOM 265 CA LEU A 18 5.220 -9.605 4.252 1.00 0.10 C ATOM 266 C LEU A 18 3.743 -9.955 4.474 1.00 0.05 C ATOM 267 O LEU A 18 3.409 -10.675 5.396 1.00 0.07 O ATOM 268 CB LEU A 18 5.638 -8.477 5.224 1.00 0.13 C ATOM 269 CG LEU A 18 7.120 -8.610 5.630 1.00 0.21 C ATOM 270 CD1 LEU A 18 7.518 -7.395 6.481 1.00 0.27 C ATOM 271 CD2 LEU A 18 7.344 -9.903 6.450 1.00 0.25 C ATOM 0 H LEU A 18 5.939 -8.279 2.738 1.00 0.12 H new ATOM 0 HA LEU A 18 5.828 -10.490 4.440 1.00 0.10 H new ATOM 0 HB2 LEU A 18 5.473 -7.508 4.753 1.00 0.13 H new ATOM 0 HB3 LEU A 18 5.010 -8.510 6.114 1.00 0.13 H new ATOM 0 HG LEU A 18 7.732 -8.656 4.729 1.00 0.21 H new ATOM 0 HD11 LEU A 18 8.565 -7.482 6.772 1.00 0.27 H new ATOM 0 HD12 LEU A 18 7.377 -6.483 5.901 1.00 0.27 H new ATOM 0 HD13 LEU A 18 6.895 -7.357 7.375 1.00 0.27 H new ATOM 0 HD21 LEU A 18 8.395 -9.980 6.728 1.00 0.25 H new ATOM 0 HD22 LEU A 18 6.732 -9.873 7.351 1.00 0.25 H new ATOM 0 HD23 LEU A 18 7.063 -10.768 5.849 1.00 0.25 H new ATOM 283 N PHE A 19 2.854 -9.442 3.656 1.00 0.03 N ATOM 284 CA PHE A 19 1.393 -9.732 3.839 1.00 0.05 C ATOM 285 C PHE A 19 0.801 -10.316 2.551 1.00 0.12 C ATOM 286 O PHE A 19 -0.397 -10.287 2.345 1.00 0.14 O ATOM 287 CB PHE A 19 0.676 -8.434 4.199 1.00 0.02 C ATOM 288 CG PHE A 19 1.305 -7.870 5.449 1.00 0.06 C ATOM 289 CD1 PHE A 19 2.462 -7.089 5.358 1.00 0.10 C ATOM 290 CD2 PHE A 19 0.735 -8.136 6.699 1.00 0.11 C ATOM 291 CE1 PHE A 19 3.052 -6.575 6.518 1.00 0.14 C ATOM 292 CE2 PHE A 19 1.325 -7.621 7.859 1.00 0.16 C ATOM 293 CZ PHE A 19 2.483 -6.840 7.770 1.00 0.16 C ATOM 0 H PHE A 19 3.076 -8.834 2.868 1.00 0.03 H new ATOM 0 HA PHE A 19 1.264 -10.462 4.638 1.00 0.05 H new ATOM 0 HB2 PHE A 19 0.754 -7.719 3.380 1.00 0.02 H new ATOM 0 HB3 PHE A 19 -0.386 -8.620 4.360 1.00 0.02 H new ATOM 0 HD1 PHE A 19 2.900 -6.883 4.393 1.00 0.10 H new ATOM 0 HD2 PHE A 19 -0.159 -8.738 6.769 1.00 0.11 H new ATOM 0 HE1 PHE A 19 3.946 -5.974 6.448 1.00 0.14 H new ATOM 0 HE2 PHE A 19 0.886 -7.827 8.824 1.00 0.16 H new ATOM 0 HZ PHE A 19 2.937 -6.442 8.666 1.00 0.16 H new ATOM 303 N ASP A 20 1.626 -10.867 1.698 1.00 0.17 N ATOM 304 CA ASP A 20 1.111 -11.481 0.433 1.00 0.25 C ATOM 305 C ASP A 20 1.031 -13.000 0.628 1.00 0.29 C ATOM 306 O ASP A 20 1.799 -13.751 0.060 1.00 0.33 O ATOM 307 CB ASP A 20 2.070 -11.167 -0.720 1.00 0.29 C ATOM 308 CG ASP A 20 1.531 -11.779 -2.015 1.00 0.41 C ATOM 309 OD1 ASP A 20 0.328 -11.970 -2.099 1.00 1.03 O ATOM 310 OD2 ASP A 20 2.327 -12.047 -2.899 1.00 1.34 O ATOM 0 H ASP A 20 2.637 -10.919 1.822 1.00 0.17 H new ATOM 0 HA ASP A 20 0.126 -11.078 0.197 1.00 0.25 H new ATOM 0 HB2 ASP A 20 2.179 -10.088 -0.833 1.00 0.29 H new ATOM 0 HB3 ASP A 20 3.061 -11.566 -0.502 1.00 0.29 H new ATOM 315 N LYS A 21 0.128 -13.449 1.456 1.00 0.29 N ATOM 316 CA LYS A 21 0.010 -14.913 1.731 1.00 0.34 C ATOM 317 C LYS A 21 -0.722 -15.629 0.597 1.00 0.38 C ATOM 318 O LYS A 21 -0.966 -16.818 0.655 1.00 0.40 O ATOM 319 CB LYS A 21 -0.778 -15.115 3.021 1.00 0.32 C ATOM 320 CG LYS A 21 -0.089 -14.382 4.184 1.00 0.31 C ATOM 321 CD LYS A 21 1.097 -15.205 4.702 1.00 0.36 C ATOM 322 CE LYS A 21 1.624 -14.577 5.992 1.00 0.40 C ATOM 323 NZ LYS A 21 2.967 -15.143 6.304 1.00 1.48 N ATOM 0 H LYS A 21 -0.538 -12.862 1.958 1.00 0.29 H new ATOM 0 HA LYS A 21 1.014 -15.328 1.819 1.00 0.34 H new ATOM 0 HB2 LYS A 21 -1.794 -14.741 2.897 1.00 0.32 H new ATOM 0 HB3 LYS A 21 -0.855 -16.179 3.246 1.00 0.32 H new ATOM 0 HG2 LYS A 21 0.256 -13.403 3.852 1.00 0.31 H new ATOM 0 HG3 LYS A 21 -0.803 -14.212 4.990 1.00 0.31 H new ATOM 0 HD2 LYS A 21 0.788 -16.234 4.885 1.00 0.36 H new ATOM 0 HD3 LYS A 21 1.887 -15.238 3.951 1.00 0.36 H new ATOM 0 HE2 LYS A 21 1.690 -13.495 5.882 1.00 0.40 H new ATOM 0 HE3 LYS A 21 0.935 -14.773 6.813 1.00 0.40 H new ATOM 0 HZ1 LYS A 21 3.328 -14.717 7.182 1.00 1.48 H new ATOM 0 HZ2 LYS A 21 2.890 -16.173 6.425 1.00 1.48 H new ATOM 0 HZ3 LYS A 21 3.622 -14.934 5.523 1.00 1.48 H new ATOM 337 N ASP A 22 -1.076 -14.916 -0.424 1.00 0.38 N ATOM 338 CA ASP A 22 -1.806 -15.539 -1.573 1.00 0.43 C ATOM 339 C ASP A 22 -0.828 -15.829 -2.714 1.00 0.43 C ATOM 340 O ASP A 22 -1.214 -16.285 -3.771 1.00 0.47 O ATOM 341 CB ASP A 22 -2.885 -14.574 -2.069 1.00 0.45 C ATOM 342 CG ASP A 22 -3.962 -14.416 -0.994 1.00 0.39 C ATOM 343 OD1 ASP A 22 -3.642 -14.601 0.169 1.00 0.66 O ATOM 344 OD2 ASP A 22 -5.088 -14.115 -1.353 1.00 1.23 O ATOM 0 H ASP A 22 -0.894 -13.917 -0.522 1.00 0.38 H new ATOM 0 HA ASP A 22 -2.265 -16.472 -1.244 1.00 0.43 H new ATOM 0 HB2 ASP A 22 -2.443 -13.605 -2.301 1.00 0.45 H new ATOM 0 HB3 ASP A 22 -3.329 -14.950 -2.991 1.00 0.45 H new ATOM 349 N GLY A 23 0.437 -15.572 -2.511 1.00 0.40 N ATOM 350 CA GLY A 23 1.434 -15.840 -3.590 1.00 0.40 C ATOM 351 C GLY A 23 0.930 -15.240 -4.900 1.00 0.42 C ATOM 352 O GLY A 23 1.420 -15.548 -5.968 1.00 0.46 O ATOM 0 H GLY A 23 0.823 -15.189 -1.648 1.00 0.40 H new ATOM 0 HA2 GLY A 23 2.399 -15.407 -3.326 1.00 0.40 H new ATOM 0 HA3 GLY A 23 1.586 -16.913 -3.703 1.00 0.40 H new ATOM 356 N ASP A 24 -0.048 -14.379 -4.817 1.00 0.39 N ATOM 357 CA ASP A 24 -0.605 -13.739 -6.048 1.00 0.41 C ATOM 358 C ASP A 24 -0.016 -12.334 -6.193 1.00 0.37 C ATOM 359 O ASP A 24 -0.382 -11.586 -7.078 1.00 0.40 O ATOM 360 CB ASP A 24 -2.128 -13.642 -5.923 1.00 0.42 C ATOM 361 CG ASP A 24 -2.729 -13.287 -7.284 1.00 0.44 C ATOM 362 OD1 ASP A 24 -2.171 -13.709 -8.284 1.00 1.23 O ATOM 363 OD2 ASP A 24 -3.737 -12.599 -7.305 1.00 1.17 O ATOM 0 H ASP A 24 -0.489 -14.088 -3.944 1.00 0.39 H new ATOM 0 HA ASP A 24 -0.349 -14.337 -6.923 1.00 0.41 H new ATOM 0 HB2 ASP A 24 -2.536 -14.589 -5.569 1.00 0.42 H new ATOM 0 HB3 ASP A 24 -2.396 -12.885 -5.186 1.00 0.42 H new ATOM 368 N GLY A 25 0.893 -11.970 -5.329 1.00 0.31 N ATOM 369 CA GLY A 25 1.498 -10.612 -5.423 1.00 0.26 C ATOM 370 C GLY A 25 0.451 -9.561 -5.030 1.00 0.22 C ATOM 371 O GLY A 25 0.472 -8.451 -5.521 1.00 0.22 O ATOM 0 H GLY A 25 1.241 -12.551 -4.566 1.00 0.31 H new ATOM 0 HA2 GLY A 25 2.365 -10.541 -4.766 1.00 0.26 H new ATOM 0 HA3 GLY A 25 1.851 -10.428 -6.438 1.00 0.26 H new ATOM 375 N THR A 26 -0.476 -9.897 -4.152 1.00 0.18 N ATOM 376 CA THR A 26 -1.523 -8.908 -3.745 1.00 0.13 C ATOM 377 C THR A 26 -1.781 -9.005 -2.239 1.00 0.10 C ATOM 378 O THR A 26 -1.365 -9.935 -1.581 1.00 0.11 O ATOM 379 CB THR A 26 -2.827 -9.199 -4.495 1.00 0.14 C ATOM 380 OG1 THR A 26 -3.351 -10.447 -4.063 1.00 0.13 O ATOM 381 CG2 THR A 26 -2.555 -9.252 -6.000 1.00 0.16 C ATOM 0 H THR A 26 -0.548 -10.811 -3.705 1.00 0.18 H new ATOM 0 HA THR A 26 -1.172 -7.905 -3.989 1.00 0.13 H new ATOM 0 HB THR A 26 -3.548 -8.409 -4.287 1.00 0.14 H new ATOM 0 HG1 THR A 26 -4.186 -10.634 -4.540 1.00 0.13 H new ATOM 0 HG21 THR A 26 -3.484 -9.459 -6.531 1.00 0.16 H new ATOM 0 HG22 THR A 26 -2.154 -8.294 -6.331 1.00 0.16 H new ATOM 0 HG23 THR A 26 -1.833 -10.041 -6.212 1.00 0.16 H new ATOM 389 N ILE A 27 -2.485 -8.043 -1.694 1.00 0.06 N ATOM 390 CA ILE A 27 -2.800 -8.053 -0.233 1.00 0.04 C ATOM 391 C ILE A 27 -4.239 -7.572 -0.053 1.00 0.04 C ATOM 392 O ILE A 27 -4.838 -7.040 -0.968 1.00 0.05 O ATOM 393 CB ILE A 27 -1.847 -7.113 0.519 1.00 0.04 C ATOM 394 CG1 ILE A 27 -1.975 -5.684 -0.033 1.00 0.08 C ATOM 395 CG2 ILE A 27 -0.406 -7.601 0.343 1.00 0.07 C ATOM 396 CD1 ILE A 27 -1.056 -4.744 0.751 1.00 0.11 C ATOM 0 H ILE A 27 -2.858 -7.243 -2.205 1.00 0.06 H new ATOM 0 HA ILE A 27 -2.681 -9.060 0.166 1.00 0.04 H new ATOM 0 HB ILE A 27 -2.107 -7.112 1.577 1.00 0.04 H new ATOM 0 HG12 ILE A 27 -1.712 -5.667 -1.091 1.00 0.08 H new ATOM 0 HG13 ILE A 27 -3.008 -5.345 0.043 1.00 0.08 H new ATOM 0 HG21 ILE A 27 0.272 -6.934 0.876 1.00 0.07 H new ATOM 0 HG22 ILE A 27 -0.312 -8.610 0.744 1.00 0.07 H new ATOM 0 HG23 ILE A 27 -0.150 -7.606 -0.717 1.00 0.07 H new ATOM 0 HD11 ILE A 27 -1.149 -3.732 0.357 1.00 0.11 H new ATOM 0 HD12 ILE A 27 -1.340 -4.751 1.803 1.00 0.11 H new ATOM 0 HD13 ILE A 27 -0.023 -5.078 0.652 1.00 0.11 H new ATOM 408 N THR A 28 -4.807 -7.740 1.108 1.00 0.05 N ATOM 409 CA THR A 28 -6.208 -7.276 1.316 1.00 0.06 C ATOM 410 C THR A 28 -6.210 -5.837 1.815 1.00 0.05 C ATOM 411 O THR A 28 -5.193 -5.299 2.209 1.00 0.04 O ATOM 412 CB THR A 28 -6.896 -8.145 2.363 1.00 0.08 C ATOM 413 OG1 THR A 28 -6.595 -7.647 3.660 1.00 0.07 O ATOM 414 CG2 THR A 28 -6.402 -9.584 2.244 1.00 0.11 C ATOM 0 H THR A 28 -4.366 -8.176 1.918 1.00 0.05 H new ATOM 0 HA THR A 28 -6.738 -7.345 0.366 1.00 0.06 H new ATOM 0 HB THR A 28 -7.974 -8.120 2.202 1.00 0.08 H new ATOM 0 HG1 THR A 28 -6.901 -8.288 4.336 1.00 0.07 H new ATOM 0 HG21 THR A 28 -6.896 -10.202 2.994 1.00 0.11 H new ATOM 0 HG22 THR A 28 -6.632 -9.967 1.250 1.00 0.11 H new ATOM 0 HG23 THR A 28 -5.324 -9.613 2.403 1.00 0.11 H new ATOM 422 N THR A 29 -7.354 -5.215 1.815 1.00 0.09 N ATOM 423 CA THR A 29 -7.444 -3.817 2.304 1.00 0.08 C ATOM 424 C THR A 29 -7.277 -3.804 3.826 1.00 0.07 C ATOM 425 O THR A 29 -6.805 -2.844 4.401 1.00 0.08 O ATOM 426 CB THR A 29 -8.816 -3.252 1.934 1.00 0.10 C ATOM 427 OG1 THR A 29 -9.809 -4.240 2.173 1.00 0.11 O ATOM 428 CG2 THR A 29 -8.839 -2.855 0.457 1.00 0.11 C ATOM 0 H THR A 29 -8.234 -5.619 1.495 1.00 0.09 H new ATOM 0 HA THR A 29 -6.661 -3.210 1.849 1.00 0.08 H new ATOM 0 HB THR A 29 -9.017 -2.370 2.542 1.00 0.10 H new ATOM 0 HG1 THR A 29 -10.690 -3.881 1.939 1.00 0.11 H new ATOM 0 HG21 THR A 29 -9.820 -2.454 0.203 1.00 0.11 H new ATOM 0 HG22 THR A 29 -8.078 -2.097 0.272 1.00 0.11 H new ATOM 0 HG23 THR A 29 -8.635 -3.731 -0.158 1.00 0.11 H new ATOM 436 N LYS A 30 -7.669 -4.861 4.483 1.00 0.06 N ATOM 437 CA LYS A 30 -7.545 -4.905 5.966 1.00 0.05 C ATOM 438 C LYS A 30 -6.071 -4.851 6.369 1.00 0.05 C ATOM 439 O LYS A 30 -5.736 -4.433 7.460 1.00 0.05 O ATOM 440 CB LYS A 30 -8.171 -6.198 6.490 1.00 0.06 C ATOM 441 CG LYS A 30 -9.681 -6.169 6.247 1.00 0.08 C ATOM 442 CD LYS A 30 -10.295 -7.500 6.683 1.00 0.42 C ATOM 443 CE LYS A 30 -11.787 -7.512 6.343 1.00 0.74 C ATOM 444 NZ LYS A 30 -12.331 -8.886 6.533 1.00 1.56 N ATOM 0 H LYS A 30 -8.070 -5.696 4.056 1.00 0.06 H new ATOM 0 HA LYS A 30 -8.063 -4.047 6.394 1.00 0.05 H new ATOM 0 HB2 LYS A 30 -7.728 -7.058 5.989 1.00 0.06 H new ATOM 0 HB3 LYS A 30 -7.965 -6.309 7.555 1.00 0.06 H new ATOM 0 HG2 LYS A 30 -10.134 -5.348 6.803 1.00 0.08 H new ATOM 0 HG3 LYS A 30 -9.887 -5.990 5.192 1.00 0.08 H new ATOM 0 HD2 LYS A 30 -9.791 -8.326 6.182 1.00 0.42 H new ATOM 0 HD3 LYS A 30 -10.155 -7.643 7.754 1.00 0.42 H new ATOM 0 HE2 LYS A 30 -12.321 -6.807 6.980 1.00 0.74 H new ATOM 0 HE3 LYS A 30 -11.938 -7.189 5.313 1.00 0.74 H new ATOM 0 HZ1 LYS A 30 -13.345 -8.893 6.302 1.00 1.56 H new ATOM 0 HZ2 LYS A 30 -11.829 -9.548 5.908 1.00 1.56 H new ATOM 0 HZ3 LYS A 30 -12.200 -9.178 7.523 1.00 1.56 H new ATOM 458 N GLU A 31 -5.186 -5.274 5.504 1.00 0.05 N ATOM 459 CA GLU A 31 -3.724 -5.252 5.847 1.00 0.06 C ATOM 460 C GLU A 31 -3.053 -4.032 5.209 1.00 0.06 C ATOM 461 O GLU A 31 -1.843 -3.946 5.145 1.00 0.03 O ATOM 462 CB GLU A 31 -3.056 -6.524 5.317 1.00 0.06 C ATOM 463 CG GLU A 31 -3.795 -7.756 5.845 1.00 0.07 C ATOM 464 CD GLU A 31 -3.304 -9.001 5.104 1.00 0.08 C ATOM 465 OE1 GLU A 31 -3.345 -8.996 3.884 1.00 0.06 O ATOM 466 OE2 GLU A 31 -2.898 -9.940 5.769 1.00 0.12 O ATOM 0 H GLU A 31 -5.407 -5.634 4.576 1.00 0.05 H new ATOM 0 HA GLU A 31 -3.616 -5.199 6.930 1.00 0.06 H new ATOM 0 HB2 GLU A 31 -3.064 -6.523 4.227 1.00 0.06 H new ATOM 0 HB3 GLU A 31 -2.012 -6.554 5.628 1.00 0.06 H new ATOM 0 HG2 GLU A 31 -3.623 -7.865 6.916 1.00 0.07 H new ATOM 0 HG3 GLU A 31 -4.869 -7.637 5.705 1.00 0.07 H new ATOM 473 N LEU A 32 -3.820 -3.094 4.732 1.00 0.13 N ATOM 474 CA LEU A 32 -3.209 -1.891 4.098 1.00 0.14 C ATOM 475 C LEU A 32 -2.555 -1.020 5.175 1.00 0.14 C ATOM 476 O LEU A 32 -1.409 -0.633 5.056 1.00 0.14 O ATOM 477 CB LEU A 32 -4.292 -1.093 3.360 1.00 0.16 C ATOM 478 CG LEU A 32 -3.714 0.218 2.810 1.00 0.14 C ATOM 479 CD1 LEU A 32 -2.487 -0.066 1.934 1.00 0.14 C ATOM 480 CD2 LEU A 32 -4.789 0.923 1.975 1.00 0.20 C ATOM 0 H LEU A 32 -4.840 -3.106 4.753 1.00 0.13 H new ATOM 0 HA LEU A 32 -2.448 -2.202 3.383 1.00 0.14 H new ATOM 0 HB2 LEU A 32 -4.698 -1.689 2.543 1.00 0.16 H new ATOM 0 HB3 LEU A 32 -5.118 -0.877 4.038 1.00 0.16 H new ATOM 0 HG LEU A 32 -3.409 0.854 3.641 1.00 0.14 H new ATOM 0 HD11 LEU A 32 -2.088 0.873 1.551 1.00 0.14 H new ATOM 0 HD12 LEU A 32 -1.724 -0.569 2.528 1.00 0.14 H new ATOM 0 HD13 LEU A 32 -2.776 -0.705 1.099 1.00 0.14 H new ATOM 0 HD21 LEU A 32 -4.388 1.856 1.579 1.00 0.20 H new ATOM 0 HD22 LEU A 32 -5.089 0.278 1.149 1.00 0.20 H new ATOM 0 HD23 LEU A 32 -5.655 1.137 2.602 1.00 0.20 H new ATOM 492 N GLY A 33 -3.265 -0.709 6.225 1.00 0.14 N ATOM 493 CA GLY A 33 -2.668 0.134 7.299 1.00 0.14 C ATOM 494 C GLY A 33 -1.521 -0.629 7.963 1.00 0.13 C ATOM 495 O GLY A 33 -0.626 -0.042 8.536 1.00 0.17 O ATOM 0 H GLY A 33 -4.229 -1.001 6.385 1.00 0.14 H new ATOM 0 HA2 GLY A 33 -2.302 1.071 6.880 1.00 0.14 H new ATOM 0 HA3 GLY A 33 -3.426 0.390 8.039 1.00 0.14 H new ATOM 499 N THR A 34 -1.541 -1.933 7.892 1.00 0.09 N ATOM 500 CA THR A 34 -0.448 -2.726 8.524 1.00 0.09 C ATOM 501 C THR A 34 0.834 -2.566 7.703 1.00 0.10 C ATOM 502 O THR A 34 1.911 -2.403 8.242 1.00 0.11 O ATOM 503 CB THR A 34 -0.855 -4.205 8.579 1.00 0.06 C ATOM 504 OG1 THR A 34 -2.224 -4.301 8.946 1.00 0.06 O ATOM 505 CG2 THR A 34 0.002 -4.940 9.611 1.00 0.08 C ATOM 0 H THR A 34 -2.264 -2.481 7.426 1.00 0.09 H new ATOM 0 HA THR A 34 -0.272 -2.367 9.538 1.00 0.09 H new ATOM 0 HB THR A 34 -0.704 -4.659 7.599 1.00 0.06 H new ATOM 0 HG1 THR A 34 -2.488 -5.244 8.980 1.00 0.06 H new ATOM 0 HG21 THR A 34 -0.291 -5.989 9.646 1.00 0.08 H new ATOM 0 HG22 THR A 34 1.053 -4.866 9.331 1.00 0.08 H new ATOM 0 HG23 THR A 34 -0.144 -4.489 10.593 1.00 0.08 H new ATOM 513 N VAL A 35 0.727 -2.601 6.404 1.00 0.10 N ATOM 514 CA VAL A 35 1.939 -2.439 5.555 1.00 0.12 C ATOM 515 C VAL A 35 2.467 -1.015 5.719 1.00 0.13 C ATOM 516 O VAL A 35 3.644 -0.792 5.931 1.00 0.12 O ATOM 517 CB VAL A 35 1.573 -2.681 4.090 1.00 0.12 C ATOM 518 CG1 VAL A 35 2.780 -2.376 3.199 1.00 0.18 C ATOM 519 CG2 VAL A 35 1.159 -4.142 3.902 1.00 0.10 C ATOM 0 H VAL A 35 -0.146 -2.735 5.894 1.00 0.10 H new ATOM 0 HA VAL A 35 2.702 -3.156 5.857 1.00 0.12 H new ATOM 0 HB VAL A 35 0.745 -2.028 3.813 1.00 0.12 H new ATOM 0 HG11 VAL A 35 2.515 -2.550 2.156 1.00 0.18 H new ATOM 0 HG12 VAL A 35 3.075 -1.335 3.330 1.00 0.18 H new ATOM 0 HG13 VAL A 35 3.610 -3.026 3.476 1.00 0.18 H new ATOM 0 HG21 VAL A 35 0.898 -4.315 2.858 1.00 0.10 H new ATOM 0 HG22 VAL A 35 1.987 -4.794 4.182 1.00 0.10 H new ATOM 0 HG23 VAL A 35 0.297 -4.360 4.532 1.00 0.10 H new ATOM 529 N MET A 36 1.598 -0.050 5.631 1.00 0.15 N ATOM 530 CA MET A 36 2.034 1.364 5.788 1.00 0.17 C ATOM 531 C MET A 36 2.684 1.529 7.166 1.00 0.17 C ATOM 532 O MET A 36 3.582 2.326 7.347 1.00 0.25 O ATOM 533 CB MET A 36 0.818 2.295 5.685 1.00 0.18 C ATOM 534 CG MET A 36 0.346 2.417 4.227 1.00 0.21 C ATOM 535 SD MET A 36 -0.581 3.958 4.029 1.00 1.36 S ATOM 536 CE MET A 36 -0.239 4.210 2.271 1.00 0.35 C ATOM 0 H MET A 36 0.601 -0.179 5.457 1.00 0.15 H new ATOM 0 HA MET A 36 2.747 1.619 5.004 1.00 0.17 H new ATOM 0 HB2 MET A 36 0.007 1.911 6.304 1.00 0.18 H new ATOM 0 HB3 MET A 36 1.075 3.281 6.072 1.00 0.18 H new ATOM 0 HG2 MET A 36 1.202 2.405 3.553 1.00 0.21 H new ATOM 0 HG3 MET A 36 -0.280 1.565 3.962 1.00 0.21 H new ATOM 0 HE1 MET A 36 -0.726 5.125 1.933 1.00 0.35 H new ATOM 0 HE2 MET A 36 0.837 4.294 2.118 1.00 0.35 H new ATOM 0 HE3 MET A 36 -0.621 3.363 1.701 1.00 0.35 H new ATOM 546 N ARG A 37 2.234 0.780 8.138 1.00 0.11 N ATOM 547 CA ARG A 37 2.823 0.897 9.502 1.00 0.11 C ATOM 548 C ARG A 37 4.263 0.381 9.483 1.00 0.13 C ATOM 549 O ARG A 37 5.136 0.928 10.126 1.00 0.20 O ATOM 550 CB ARG A 37 1.987 0.068 10.495 1.00 0.14 C ATOM 551 CG ARG A 37 0.738 0.862 10.929 1.00 0.24 C ATOM 552 CD ARG A 37 1.076 1.788 12.108 1.00 1.10 C ATOM 553 NE ARG A 37 0.960 1.028 13.385 1.00 1.14 N ATOM 554 CZ ARG A 37 1.485 1.507 14.480 1.00 2.29 C ATOM 555 NH1 ARG A 37 2.125 2.645 14.452 1.00 3.54 N ATOM 556 NH2 ARG A 37 1.374 0.848 15.601 1.00 2.33 N ATOM 0 H ARG A 37 1.485 0.094 8.046 1.00 0.11 H new ATOM 0 HA ARG A 37 2.819 1.942 9.812 1.00 0.11 H new ATOM 0 HB2 ARG A 37 1.687 -0.873 10.033 1.00 0.14 H new ATOM 0 HB3 ARG A 37 2.589 -0.183 11.368 1.00 0.14 H new ATOM 0 HG2 ARG A 37 0.364 1.451 10.091 1.00 0.24 H new ATOM 0 HG3 ARG A 37 -0.057 0.174 11.215 1.00 0.24 H new ATOM 0 HD2 ARG A 37 2.086 2.182 11.997 1.00 1.10 H new ATOM 0 HD3 ARG A 37 0.400 2.643 12.118 1.00 1.10 H new ATOM 0 HE ARG A 37 0.470 0.133 13.403 1.00 1.14 H new ATOM 0 HH11 ARG A 37 2.214 3.159 13.575 1.00 3.54 H new ATOM 0 HH12 ARG A 37 2.536 3.020 15.307 1.00 3.54 H new ATOM 0 HH21 ARG A 37 0.877 -0.042 15.622 1.00 2.33 H new ATOM 0 HH22 ARG A 37 1.785 1.223 16.456 1.00 2.33 H new ATOM 570 N SER A 38 4.520 -0.667 8.753 1.00 0.17 N ATOM 571 CA SER A 38 5.907 -1.212 8.700 1.00 0.20 C ATOM 572 C SER A 38 6.859 -0.123 8.202 1.00 0.22 C ATOM 573 O SER A 38 7.998 -0.043 8.616 1.00 0.29 O ATOM 574 CB SER A 38 5.954 -2.406 7.746 1.00 0.23 C ATOM 575 OG SER A 38 5.851 -1.941 6.408 1.00 0.18 O ATOM 0 H SER A 38 3.833 -1.170 8.192 1.00 0.17 H new ATOM 0 HA SER A 38 6.209 -1.535 9.696 1.00 0.20 H new ATOM 0 HB2 SER A 38 6.884 -2.958 7.881 1.00 0.23 H new ATOM 0 HB3 SER A 38 5.139 -3.096 7.967 1.00 0.23 H new ATOM 0 HG SER A 38 5.125 -1.285 6.344 1.00 0.18 H new ATOM 581 N LEU A 39 6.403 0.715 7.311 1.00 0.16 N ATOM 582 CA LEU A 39 7.284 1.797 6.783 1.00 0.20 C ATOM 583 C LEU A 39 7.347 2.950 7.793 1.00 0.22 C ATOM 584 O LEU A 39 8.000 3.949 7.566 1.00 0.28 O ATOM 585 CB LEU A 39 6.725 2.305 5.451 1.00 0.21 C ATOM 586 CG LEU A 39 6.421 1.116 4.531 1.00 0.19 C ATOM 587 CD1 LEU A 39 5.783 1.624 3.236 1.00 0.21 C ATOM 588 CD2 LEU A 39 7.719 0.367 4.203 1.00 0.20 C ATOM 0 H LEU A 39 5.459 0.698 6.926 1.00 0.16 H new ATOM 0 HA LEU A 39 8.288 1.404 6.627 1.00 0.20 H new ATOM 0 HB2 LEU A 39 5.818 2.885 5.624 1.00 0.21 H new ATOM 0 HB3 LEU A 39 7.444 2.972 4.974 1.00 0.21 H new ATOM 0 HG LEU A 39 5.733 0.437 5.036 1.00 0.19 H new ATOM 0 HD11 LEU A 39 5.567 0.780 2.581 1.00 0.21 H new ATOM 0 HD12 LEU A 39 4.857 2.150 3.468 1.00 0.21 H new ATOM 0 HD13 LEU A 39 6.471 2.305 2.734 1.00 0.21 H new ATOM 0 HD21 LEU A 39 7.497 -0.477 3.549 1.00 0.20 H new ATOM 0 HD22 LEU A 39 8.412 1.042 3.701 1.00 0.20 H new ATOM 0 HD23 LEU A 39 8.172 0.002 5.125 1.00 0.20 H new ATOM 600 N GLY A 40 6.686 2.812 8.909 1.00 0.19 N ATOM 601 CA GLY A 40 6.719 3.892 9.940 1.00 0.21 C ATOM 602 C GLY A 40 5.653 4.950 9.637 1.00 0.19 C ATOM 603 O GLY A 40 5.699 6.048 10.157 1.00 0.23 O ATOM 0 H GLY A 40 6.123 1.997 9.154 1.00 0.19 H new ATOM 0 HA2 GLY A 40 6.547 3.466 10.928 1.00 0.21 H new ATOM 0 HA3 GLY A 40 7.705 4.355 9.960 1.00 0.21 H new ATOM 607 N GLN A 41 4.689 4.633 8.810 1.00 0.14 N ATOM 608 CA GLN A 41 3.615 5.624 8.482 1.00 0.14 C ATOM 609 C GLN A 41 2.372 5.308 9.315 1.00 0.13 C ATOM 610 O GLN A 41 2.042 4.158 9.532 1.00 0.14 O ATOM 611 CB GLN A 41 3.265 5.523 6.995 1.00 0.11 C ATOM 612 CG GLN A 41 4.495 5.871 6.155 1.00 0.08 C ATOM 613 CD GLN A 41 4.794 7.366 6.283 1.00 1.09 C ATOM 614 OE1 GLN A 41 5.797 7.749 6.853 1.00 2.32 O ATOM 615 NE2 GLN A 41 3.961 8.232 5.777 1.00 1.39 N ATOM 0 H GLN A 41 4.598 3.729 8.346 1.00 0.14 H new ATOM 0 HA GLN A 41 3.965 6.632 8.706 1.00 0.14 H new ATOM 0 HB2 GLN A 41 2.924 4.515 6.759 1.00 0.11 H new ATOM 0 HB3 GLN A 41 2.445 6.201 6.757 1.00 0.11 H new ATOM 0 HG2 GLN A 41 5.353 5.288 6.489 1.00 0.08 H new ATOM 0 HG3 GLN A 41 4.320 5.612 5.111 1.00 0.08 H new ATOM 0 HE21 GLN A 41 3.119 7.911 5.299 1.00 1.39 H new ATOM 0 HE22 GLN A 41 4.151 9.231 5.859 1.00 1.39 H new ATOM 624 N ASN A 42 1.681 6.316 9.795 1.00 0.13 N ATOM 625 CA ASN A 42 0.459 6.075 10.628 1.00 0.14 C ATOM 626 C ASN A 42 -0.675 7.014 10.183 1.00 0.13 C ATOM 627 O ASN A 42 -0.978 7.967 10.874 1.00 0.12 O ATOM 628 CB ASN A 42 0.794 6.361 12.093 1.00 0.15 C ATOM 629 CG ASN A 42 -0.421 6.035 12.968 1.00 0.25 C ATOM 630 OD1 ASN A 42 -1.520 6.469 12.687 1.00 1.04 O ATOM 631 ND2 ASN A 42 -0.266 5.283 14.023 1.00 0.64 N ATOM 0 H ASN A 42 1.912 7.298 9.645 1.00 0.13 H new ATOM 0 HA ASN A 42 0.138 5.040 10.507 1.00 0.14 H new ATOM 0 HB2 ASN A 42 1.651 5.763 12.405 1.00 0.15 H new ATOM 0 HB3 ASN A 42 1.074 7.407 12.216 1.00 0.15 H new ATOM 0 HD21 ASN A 42 -1.068 5.059 14.612 1.00 0.64 H new ATOM 0 HD22 ASN A 42 0.657 4.919 14.259 1.00 0.64 H new ATOM 638 N PRO A 43 -1.277 6.724 9.048 1.00 0.12 N ATOM 639 CA PRO A 43 -2.385 7.552 8.531 1.00 0.12 C ATOM 640 C PRO A 43 -3.614 7.368 9.434 1.00 0.17 C ATOM 641 O PRO A 43 -3.789 6.332 10.043 1.00 0.22 O ATOM 642 CB PRO A 43 -2.650 7.011 7.104 1.00 0.14 C ATOM 643 CG PRO A 43 -1.761 5.744 6.915 1.00 0.13 C ATOM 644 CD PRO A 43 -0.913 5.572 8.196 1.00 0.13 C ATOM 0 HA PRO A 43 -2.157 8.618 8.514 1.00 0.12 H new ATOM 0 HB2 PRO A 43 -3.704 6.763 6.977 1.00 0.14 H new ATOM 0 HB3 PRO A 43 -2.407 7.766 6.356 1.00 0.14 H new ATOM 0 HG2 PRO A 43 -2.381 4.864 6.745 1.00 0.13 H new ATOM 0 HG3 PRO A 43 -1.118 5.854 6.042 1.00 0.13 H new ATOM 0 HD2 PRO A 43 -1.134 4.627 8.693 1.00 0.13 H new ATOM 0 HD3 PRO A 43 0.153 5.570 7.967 1.00 0.13 H new ATOM 652 N THR A 44 -4.471 8.351 9.524 1.00 0.19 N ATOM 653 CA THR A 44 -5.673 8.187 10.389 1.00 0.25 C ATOM 654 C THR A 44 -6.614 7.170 9.747 1.00 0.23 C ATOM 655 O THR A 44 -6.435 6.773 8.614 1.00 0.22 O ATOM 656 CB THR A 44 -6.401 9.523 10.541 1.00 0.28 C ATOM 657 OG1 THR A 44 -6.658 10.071 9.258 1.00 0.25 O ATOM 658 CG2 THR A 44 -5.535 10.493 11.347 1.00 0.31 C ATOM 0 H THR A 44 -4.392 9.247 9.043 1.00 0.19 H new ATOM 0 HA THR A 44 -5.361 7.840 11.374 1.00 0.25 H new ATOM 0 HB THR A 44 -7.344 9.362 11.063 1.00 0.28 H new ATOM 0 HG1 THR A 44 -7.126 10.927 9.355 1.00 0.25 H new ATOM 0 HG21 THR A 44 -6.057 11.444 11.453 1.00 0.31 H new ATOM 0 HG22 THR A 44 -5.341 10.073 12.334 1.00 0.31 H new ATOM 0 HG23 THR A 44 -4.590 10.654 10.829 1.00 0.31 H new ATOM 666 N GLU A 45 -7.610 6.743 10.467 1.00 0.25 N ATOM 667 CA GLU A 45 -8.561 5.745 9.907 1.00 0.27 C ATOM 668 C GLU A 45 -9.243 6.321 8.666 1.00 0.18 C ATOM 669 O GLU A 45 -9.365 5.660 7.655 1.00 0.16 O ATOM 670 CB GLU A 45 -9.616 5.407 10.965 1.00 0.36 C ATOM 671 CG GLU A 45 -9.016 4.460 12.007 1.00 0.40 C ATOM 672 CD GLU A 45 -8.870 3.058 11.408 1.00 1.00 C ATOM 673 OE1 GLU A 45 -9.469 2.810 10.375 1.00 2.18 O ATOM 674 OE2 GLU A 45 -8.160 2.257 11.994 1.00 1.90 O ATOM 0 H GLU A 45 -7.808 7.042 11.422 1.00 0.25 H new ATOM 0 HA GLU A 45 -8.019 4.841 9.628 1.00 0.27 H new ATOM 0 HB2 GLU A 45 -9.966 6.319 11.448 1.00 0.36 H new ATOM 0 HB3 GLU A 45 -10.482 4.943 10.494 1.00 0.36 H new ATOM 0 HG2 GLU A 45 -8.044 4.830 12.332 1.00 0.40 H new ATOM 0 HG3 GLU A 45 -9.654 4.424 12.890 1.00 0.40 H new ATOM 681 N ALA A 46 -9.694 7.542 8.728 1.00 0.17 N ATOM 682 CA ALA A 46 -10.366 8.133 7.539 1.00 0.12 C ATOM 683 C ALA A 46 -9.377 8.184 6.375 1.00 0.12 C ATOM 684 O ALA A 46 -9.731 7.934 5.241 1.00 0.16 O ATOM 685 CB ALA A 46 -10.863 9.545 7.872 1.00 0.14 C ATOM 0 H ALA A 46 -9.627 8.152 9.543 1.00 0.17 H new ATOM 0 HA ALA A 46 -11.221 7.518 7.258 1.00 0.12 H new ATOM 0 HB1 ALA A 46 -11.354 9.973 6.998 1.00 0.14 H new ATOM 0 HB2 ALA A 46 -11.571 9.496 8.699 1.00 0.14 H new ATOM 0 HB3 ALA A 46 -10.017 10.171 8.156 1.00 0.14 H new ATOM 691 N GLU A 47 -8.134 8.482 6.640 1.00 0.12 N ATOM 692 CA GLU A 47 -7.141 8.519 5.534 1.00 0.17 C ATOM 693 C GLU A 47 -7.111 7.140 4.880 1.00 0.22 C ATOM 694 O GLU A 47 -7.023 7.015 3.676 1.00 0.26 O ATOM 695 CB GLU A 47 -5.750 8.850 6.084 1.00 0.18 C ATOM 696 CG GLU A 47 -5.652 10.348 6.371 1.00 0.15 C ATOM 697 CD GLU A 47 -4.323 10.652 7.065 1.00 0.26 C ATOM 698 OE1 GLU A 47 -3.429 9.828 6.975 1.00 1.41 O ATOM 699 OE2 GLU A 47 -4.224 11.704 7.678 1.00 1.47 O ATOM 0 H GLU A 47 -7.767 8.699 7.567 1.00 0.12 H new ATOM 0 HA GLU A 47 -7.420 9.284 4.809 1.00 0.17 H new ATOM 0 HB2 GLU A 47 -5.565 8.282 6.996 1.00 0.18 H new ATOM 0 HB3 GLU A 47 -4.985 8.557 5.365 1.00 0.18 H new ATOM 0 HG2 GLU A 47 -5.726 10.912 5.441 1.00 0.15 H new ATOM 0 HG3 GLU A 47 -6.483 10.663 7.002 1.00 0.15 H new ATOM 706 N LEU A 48 -7.187 6.104 5.668 1.00 0.22 N ATOM 707 CA LEU A 48 -7.166 4.731 5.094 1.00 0.28 C ATOM 708 C LEU A 48 -8.498 4.443 4.393 1.00 0.31 C ATOM 709 O LEU A 48 -8.530 3.953 3.284 1.00 0.34 O ATOM 710 CB LEU A 48 -6.959 3.710 6.219 1.00 0.28 C ATOM 711 CG LEU A 48 -5.497 3.724 6.701 1.00 0.29 C ATOM 712 CD1 LEU A 48 -5.366 2.808 7.925 1.00 0.32 C ATOM 713 CD2 LEU A 48 -4.551 3.232 5.581 1.00 0.19 C ATOM 0 H LEU A 48 -7.263 6.149 6.684 1.00 0.22 H new ATOM 0 HA LEU A 48 -6.352 4.656 4.373 1.00 0.28 H new ATOM 0 HB2 LEU A 48 -7.624 3.938 7.052 1.00 0.28 H new ATOM 0 HB3 LEU A 48 -7.222 2.713 5.865 1.00 0.28 H new ATOM 0 HG LEU A 48 -5.218 4.744 6.965 1.00 0.29 H new ATOM 0 HD11 LEU A 48 -4.333 2.812 8.273 1.00 0.32 H new ATOM 0 HD12 LEU A 48 -6.019 3.168 8.720 1.00 0.32 H new ATOM 0 HD13 LEU A 48 -5.653 1.793 7.652 1.00 0.32 H new ATOM 0 HD21 LEU A 48 -3.522 3.249 5.940 1.00 0.19 H new ATOM 0 HD22 LEU A 48 -4.820 2.214 5.298 1.00 0.19 H new ATOM 0 HD23 LEU A 48 -4.643 3.886 4.714 1.00 0.19 H new ATOM 725 N GLN A 49 -9.597 4.730 5.036 1.00 0.30 N ATOM 726 CA GLN A 49 -10.923 4.456 4.408 1.00 0.33 C ATOM 727 C GLN A 49 -11.117 5.348 3.181 1.00 0.34 C ATOM 728 O GLN A 49 -11.907 5.052 2.306 1.00 0.37 O ATOM 729 CB GLN A 49 -12.030 4.753 5.424 1.00 0.34 C ATOM 730 CG GLN A 49 -12.101 3.634 6.475 1.00 0.34 C ATOM 731 CD GLN A 49 -12.923 2.460 5.933 1.00 0.73 C ATOM 732 OE1 GLN A 49 -12.676 1.980 4.844 1.00 1.52 O ATOM 733 NE2 GLN A 49 -13.900 1.980 6.652 1.00 0.98 N ATOM 0 H GLN A 49 -9.635 5.142 5.968 1.00 0.30 H new ATOM 0 HA GLN A 49 -10.965 3.411 4.101 1.00 0.33 H new ATOM 0 HB2 GLN A 49 -11.839 5.709 5.912 1.00 0.34 H new ATOM 0 HB3 GLN A 49 -12.988 4.843 4.913 1.00 0.34 H new ATOM 0 HG2 GLN A 49 -11.096 3.298 6.730 1.00 0.34 H new ATOM 0 HG3 GLN A 49 -12.553 4.013 7.392 1.00 0.34 H new ATOM 0 HE21 GLN A 49 -14.107 2.383 7.566 1.00 0.98 H new ATOM 0 HE22 GLN A 49 -14.457 1.201 6.300 1.00 0.98 H new ATOM 742 N ASP A 50 -10.411 6.437 3.113 1.00 0.33 N ATOM 743 CA ASP A 50 -10.566 7.346 1.942 1.00 0.33 C ATOM 744 C ASP A 50 -9.914 6.705 0.720 1.00 0.36 C ATOM 745 O ASP A 50 -10.471 6.692 -0.359 1.00 0.36 O ATOM 746 CB ASP A 50 -9.898 8.690 2.242 1.00 0.30 C ATOM 747 CG ASP A 50 -10.729 9.455 3.273 1.00 1.36 C ATOM 748 OD1 ASP A 50 -11.885 9.109 3.448 1.00 2.00 O ATOM 749 OD2 ASP A 50 -10.195 10.376 3.870 1.00 1.99 O ATOM 0 H ASP A 50 -9.734 6.739 3.814 1.00 0.33 H new ATOM 0 HA ASP A 50 -11.625 7.512 1.744 1.00 0.33 H new ATOM 0 HB2 ASP A 50 -8.888 8.530 2.620 1.00 0.30 H new ATOM 0 HB3 ASP A 50 -9.807 9.275 1.327 1.00 0.30 H new ATOM 890 N GLY A 61 -11.896 -5.433 -3.099 1.00 0.15 N ATOM 891 CA GLY A 61 -11.456 -5.230 -1.685 1.00 0.10 C ATOM 892 C GLY A 61 -10.000 -5.685 -1.514 1.00 0.04 C ATOM 893 O GLY A 61 -9.586 -6.071 -0.439 1.00 0.17 O ATOM 0 HA2 GLY A 61 -11.551 -4.178 -1.414 1.00 0.10 H new ATOM 0 HA3 GLY A 61 -12.102 -5.792 -1.011 1.00 0.10 H new ATOM 897 N THR A 62 -9.224 -5.644 -2.570 1.00 0.09 N ATOM 898 CA THR A 62 -7.790 -6.072 -2.487 1.00 0.08 C ATOM 899 C THR A 62 -6.905 -5.035 -3.188 1.00 0.08 C ATOM 900 O THR A 62 -7.389 -4.134 -3.844 1.00 0.09 O ATOM 901 CB THR A 62 -7.631 -7.422 -3.191 1.00 0.16 C ATOM 902 OG1 THR A 62 -8.276 -7.373 -4.457 1.00 0.19 O ATOM 903 CG2 THR A 62 -8.261 -8.525 -2.336 1.00 0.37 C ATOM 0 H THR A 62 -9.524 -5.330 -3.493 1.00 0.09 H new ATOM 0 HA THR A 62 -7.494 -6.158 -1.442 1.00 0.08 H new ATOM 0 HB THR A 62 -6.571 -7.636 -3.331 1.00 0.16 H new ATOM 0 HG1 THR A 62 -8.174 -8.236 -4.910 1.00 0.19 H new ATOM 0 HG21 THR A 62 -8.147 -9.485 -2.839 1.00 0.37 H new ATOM 0 HG22 THR A 62 -7.765 -8.562 -1.366 1.00 0.37 H new ATOM 0 HG23 THR A 62 -9.321 -8.314 -2.193 1.00 0.37 H new ATOM 911 N ILE A 63 -5.606 -5.154 -3.049 1.00 0.08 N ATOM 912 CA ILE A 63 -4.676 -4.178 -3.695 1.00 0.10 C ATOM 913 C ILE A 63 -3.466 -4.944 -4.245 1.00 0.10 C ATOM 914 O ILE A 63 -2.932 -5.815 -3.591 1.00 0.09 O ATOM 915 CB ILE A 63 -4.203 -3.159 -2.643 1.00 0.10 C ATOM 916 CG1 ILE A 63 -5.380 -2.813 -1.714 1.00 0.10 C ATOM 917 CG2 ILE A 63 -3.682 -1.885 -3.332 1.00 0.12 C ATOM 918 CD1 ILE A 63 -4.960 -1.750 -0.697 1.00 0.12 C ATOM 0 H ILE A 63 -5.149 -5.891 -2.512 1.00 0.08 H new ATOM 0 HA ILE A 63 -5.183 -3.654 -4.505 1.00 0.10 H new ATOM 0 HB ILE A 63 -3.391 -3.591 -2.059 1.00 0.10 H new ATOM 0 HG12 ILE A 63 -6.222 -2.450 -2.303 1.00 0.10 H new ATOM 0 HG13 ILE A 63 -5.718 -3.710 -1.194 1.00 0.10 H new ATOM 0 HG21 ILE A 63 -3.351 -1.172 -2.577 1.00 0.12 H new ATOM 0 HG22 ILE A 63 -2.845 -2.139 -3.983 1.00 0.12 H new ATOM 0 HG23 ILE A 63 -4.481 -1.440 -3.925 1.00 0.12 H new ATOM 0 HD11 ILE A 63 -5.803 -1.515 -0.047 1.00 0.12 H new ATOM 0 HD12 ILE A 63 -4.133 -2.128 -0.096 1.00 0.12 H new ATOM 0 HD13 ILE A 63 -4.645 -0.848 -1.222 1.00 0.12 H new ATOM 930 N ASP A 64 -3.026 -4.616 -5.433 1.00 0.12 N ATOM 931 CA ASP A 64 -1.835 -5.312 -6.025 1.00 0.12 C ATOM 932 C ASP A 64 -0.598 -4.405 -5.862 1.00 0.12 C ATOM 933 O ASP A 64 -0.723 -3.229 -5.581 1.00 0.12 O ATOM 934 CB ASP A 64 -2.106 -5.626 -7.507 1.00 0.13 C ATOM 935 CG ASP A 64 -2.188 -4.333 -8.326 1.00 0.15 C ATOM 936 OD1 ASP A 64 -1.953 -3.279 -7.763 1.00 0.14 O ATOM 937 OD2 ASP A 64 -2.487 -4.421 -9.505 1.00 0.21 O ATOM 0 H ASP A 64 -3.439 -3.894 -6.023 1.00 0.12 H new ATOM 0 HA ASP A 64 -1.649 -6.255 -5.510 1.00 0.12 H new ATOM 0 HB2 ASP A 64 -1.313 -6.262 -7.900 1.00 0.13 H new ATOM 0 HB3 ASP A 64 -3.038 -6.183 -7.602 1.00 0.13 H new ATOM 942 N PHE A 65 0.592 -4.939 -6.002 1.00 0.14 N ATOM 943 CA PHE A 65 1.824 -4.096 -5.815 1.00 0.14 C ATOM 944 C PHE A 65 1.891 -2.901 -6.798 1.00 0.11 C ATOM 945 O PHE A 65 2.200 -1.811 -6.359 1.00 0.11 O ATOM 946 CB PHE A 65 3.097 -4.963 -5.904 1.00 0.17 C ATOM 947 CG PHE A 65 4.312 -4.153 -5.483 1.00 0.15 C ATOM 948 CD1 PHE A 65 4.422 -3.677 -4.168 1.00 0.71 C ATOM 949 CD2 PHE A 65 5.333 -3.886 -6.409 1.00 0.47 C ATOM 950 CE1 PHE A 65 5.549 -2.936 -3.784 1.00 0.69 C ATOM 951 CE2 PHE A 65 6.457 -3.148 -6.020 1.00 0.49 C ATOM 952 CZ PHE A 65 6.564 -2.672 -4.710 1.00 0.14 C ATOM 0 H PHE A 65 0.767 -5.916 -6.236 1.00 0.14 H new ATOM 0 HA PHE A 65 1.763 -3.667 -4.815 1.00 0.14 H new ATOM 0 HB2 PHE A 65 2.995 -5.839 -5.264 1.00 0.17 H new ATOM 0 HB3 PHE A 65 3.228 -5.327 -6.923 1.00 0.17 H new ATOM 0 HD1 PHE A 65 3.640 -3.881 -3.452 1.00 0.71 H new ATOM 0 HD2 PHE A 65 5.251 -4.250 -7.422 1.00 0.47 H new ATOM 0 HE1 PHE A 65 5.634 -2.569 -2.772 1.00 0.69 H new ATOM 0 HE2 PHE A 65 7.243 -2.946 -6.733 1.00 0.49 H new ATOM 0 HZ PHE A 65 7.431 -2.100 -4.413 1.00 0.14 H new ATOM 962 N PRO A 66 1.609 -3.073 -8.085 1.00 0.10 N ATOM 963 CA PRO A 66 1.667 -1.924 -9.006 1.00 0.09 C ATOM 964 C PRO A 66 0.822 -0.774 -8.439 1.00 0.10 C ATOM 965 O PRO A 66 1.282 0.344 -8.316 1.00 0.10 O ATOM 966 CB PRO A 66 1.105 -2.446 -10.348 1.00 0.10 C ATOM 967 CG PRO A 66 0.857 -3.972 -10.183 1.00 0.11 C ATOM 968 CD PRO A 66 1.217 -4.350 -8.727 1.00 0.12 C ATOM 0 HA PRO A 66 2.676 -1.534 -9.139 1.00 0.09 H new ATOM 0 HB2 PRO A 66 0.178 -1.931 -10.603 1.00 0.10 H new ATOM 0 HB3 PRO A 66 1.808 -2.256 -11.159 1.00 0.10 H new ATOM 0 HG2 PRO A 66 -0.184 -4.216 -10.396 1.00 0.11 H new ATOM 0 HG3 PRO A 66 1.467 -4.537 -10.887 1.00 0.11 H new ATOM 0 HD2 PRO A 66 0.368 -4.805 -8.216 1.00 0.12 H new ATOM 0 HD3 PRO A 66 2.032 -5.073 -8.697 1.00 0.12 H new ATOM 976 N GLU A 67 -0.405 -1.043 -8.082 1.00 0.11 N ATOM 977 CA GLU A 67 -1.261 0.036 -7.518 1.00 0.13 C ATOM 978 C GLU A 67 -0.669 0.503 -6.187 1.00 0.13 C ATOM 979 O GLU A 67 -0.755 1.661 -5.836 1.00 0.16 O ATOM 980 CB GLU A 67 -2.687 -0.480 -7.299 1.00 0.14 C ATOM 981 CG GLU A 67 -3.307 -0.846 -8.650 1.00 0.14 C ATOM 982 CD GLU A 67 -4.585 -1.656 -8.423 1.00 0.15 C ATOM 983 OE1 GLU A 67 -4.595 -2.470 -7.515 1.00 0.25 O ATOM 984 OE2 GLU A 67 -5.533 -1.448 -9.164 1.00 0.19 O ATOM 0 H GLU A 67 -0.848 -1.959 -8.156 1.00 0.11 H new ATOM 0 HA GLU A 67 -1.296 0.871 -8.218 1.00 0.13 H new ATOM 0 HB2 GLU A 67 -2.674 -1.351 -6.644 1.00 0.14 H new ATOM 0 HB3 GLU A 67 -3.289 0.282 -6.804 1.00 0.14 H new ATOM 0 HG2 GLU A 67 -3.533 0.058 -9.215 1.00 0.14 H new ATOM 0 HG3 GLU A 67 -2.598 -1.424 -9.243 1.00 0.14 H new ATOM 991 N PHE A 68 -0.053 -0.379 -5.444 1.00 0.11 N ATOM 992 CA PHE A 68 0.550 0.054 -4.155 1.00 0.12 C ATOM 993 C PHE A 68 1.624 1.094 -4.468 1.00 0.11 C ATOM 994 O PHE A 68 1.809 2.053 -3.746 1.00 0.12 O ATOM 995 CB PHE A 68 1.169 -1.136 -3.405 1.00 0.15 C ATOM 996 CG PHE A 68 1.566 -0.696 -2.014 1.00 0.17 C ATOM 997 CD1 PHE A 68 0.614 -0.681 -0.986 1.00 0.16 C ATOM 998 CD2 PHE A 68 2.883 -0.295 -1.752 1.00 0.19 C ATOM 999 CE1 PHE A 68 0.978 -0.270 0.303 1.00 0.19 C ATOM 1000 CE2 PHE A 68 3.244 0.117 -0.462 1.00 0.22 C ATOM 1001 CZ PHE A 68 2.293 0.131 0.562 1.00 0.21 C ATOM 0 H PHE A 68 0.057 -1.367 -5.672 1.00 0.11 H new ATOM 0 HA PHE A 68 -0.222 0.478 -3.512 1.00 0.12 H new ATOM 0 HB2 PHE A 68 0.455 -1.957 -3.349 1.00 0.15 H new ATOM 0 HB3 PHE A 68 2.040 -1.507 -3.944 1.00 0.15 H new ATOM 0 HD1 PHE A 68 -0.402 -0.987 -1.188 1.00 0.16 H new ATOM 0 HD2 PHE A 68 3.618 -0.303 -2.543 1.00 0.19 H new ATOM 0 HE1 PHE A 68 0.244 -0.263 1.096 1.00 0.19 H new ATOM 0 HE2 PHE A 68 4.259 0.424 -0.259 1.00 0.22 H new ATOM 0 HZ PHE A 68 2.574 0.452 1.554 1.00 0.21 H new ATOM 1011 N LEU A 69 2.320 0.921 -5.563 1.00 0.08 N ATOM 1012 CA LEU A 69 3.363 1.915 -5.942 1.00 0.06 C ATOM 1013 C LEU A 69 2.681 3.236 -6.305 1.00 0.07 C ATOM 1014 O LEU A 69 3.268 4.295 -6.210 1.00 0.08 O ATOM 1015 CB LEU A 69 4.152 1.416 -7.162 1.00 0.03 C ATOM 1016 CG LEU A 69 4.971 0.163 -6.815 1.00 0.04 C ATOM 1017 CD1 LEU A 69 5.751 -0.271 -8.058 1.00 0.06 C ATOM 1018 CD2 LEU A 69 5.961 0.465 -5.676 1.00 0.05 C ATOM 0 H LEU A 69 2.210 0.137 -6.207 1.00 0.08 H new ATOM 0 HA LEU A 69 4.045 2.054 -5.103 1.00 0.06 H new ATOM 0 HB2 LEU A 69 3.464 1.191 -7.977 1.00 0.03 H new ATOM 0 HB3 LEU A 69 4.818 2.203 -7.516 1.00 0.03 H new ATOM 0 HG LEU A 69 4.296 -0.629 -6.491 1.00 0.04 H new ATOM 0 HD11 LEU A 69 6.338 -1.160 -7.827 1.00 0.06 H new ATOM 0 HD12 LEU A 69 5.054 -0.496 -8.865 1.00 0.06 H new ATOM 0 HD13 LEU A 69 6.418 0.533 -8.368 1.00 0.06 H new ATOM 0 HD21 LEU A 69 6.533 -0.433 -5.443 1.00 0.05 H new ATOM 0 HD22 LEU A 69 6.642 1.258 -5.986 1.00 0.05 H new ATOM 0 HD23 LEU A 69 5.411 0.785 -4.791 1.00 0.05 H new ATOM 1030 N THR A 70 1.445 3.181 -6.726 1.00 0.07 N ATOM 1031 CA THR A 70 0.730 4.433 -7.096 1.00 0.07 C ATOM 1032 C THR A 70 0.332 5.182 -5.826 1.00 0.09 C ATOM 1033 O THR A 70 0.224 6.393 -5.816 1.00 0.07 O ATOM 1034 CB THR A 70 -0.518 4.084 -7.919 1.00 0.08 C ATOM 1035 OG1 THR A 70 -0.121 3.469 -9.137 1.00 0.09 O ATOM 1036 CG2 THR A 70 -1.303 5.359 -8.226 1.00 0.05 C ATOM 0 H THR A 70 0.902 2.324 -6.829 1.00 0.07 H new ATOM 0 HA THR A 70 1.383 5.069 -7.694 1.00 0.07 H new ATOM 0 HB THR A 70 -1.148 3.400 -7.351 1.00 0.08 H new ATOM 0 HG1 THR A 70 -0.916 3.243 -9.664 1.00 0.09 H new ATOM 0 HG21 THR A 70 -2.189 5.109 -8.810 1.00 0.05 H new ATOM 0 HG22 THR A 70 -1.606 5.833 -7.293 1.00 0.05 H new ATOM 0 HG23 THR A 70 -0.675 6.045 -8.794 1.00 0.05 H new ATOM 1044 N MET A 71 0.130 4.478 -4.746 1.00 0.14 N ATOM 1045 CA MET A 71 -0.239 5.167 -3.474 1.00 0.16 C ATOM 1046 C MET A 71 1.014 5.838 -2.902 1.00 0.17 C ATOM 1047 O MET A 71 1.004 6.999 -2.541 1.00 0.25 O ATOM 1048 CB MET A 71 -0.797 4.161 -2.450 1.00 0.25 C ATOM 1049 CG MET A 71 -2.178 3.612 -2.905 1.00 0.73 C ATOM 1050 SD MET A 71 -3.383 3.764 -1.552 1.00 0.99 S ATOM 1051 CE MET A 71 -3.980 2.052 -1.537 1.00 0.47 C ATOM 0 H MET A 71 0.203 3.462 -4.688 1.00 0.14 H new ATOM 0 HA MET A 71 -1.010 5.910 -3.678 1.00 0.16 H new ATOM 0 HB2 MET A 71 -0.096 3.335 -2.327 1.00 0.25 H new ATOM 0 HB3 MET A 71 -0.896 4.643 -1.478 1.00 0.25 H new ATOM 0 HG2 MET A 71 -2.528 4.163 -3.778 1.00 0.73 H new ATOM 0 HG3 MET A 71 -2.083 2.568 -3.203 1.00 0.73 H new ATOM 0 HE1 MET A 71 -4.738 1.938 -0.762 1.00 0.47 H new ATOM 0 HE2 MET A 71 -4.413 1.809 -2.507 1.00 0.47 H new ATOM 0 HE3 MET A 71 -3.148 1.378 -1.332 1.00 0.47 H new ATOM 1061 N MET A 72 2.100 5.113 -2.822 1.00 0.17 N ATOM 1062 CA MET A 72 3.354 5.706 -2.280 1.00 0.17 C ATOM 1063 C MET A 72 3.836 6.824 -3.205 1.00 0.15 C ATOM 1064 O MET A 72 4.421 7.793 -2.764 1.00 0.24 O ATOM 1065 CB MET A 72 4.435 4.624 -2.189 1.00 0.17 C ATOM 1066 CG MET A 72 3.942 3.473 -1.306 1.00 0.13 C ATOM 1067 SD MET A 72 3.636 4.077 0.378 1.00 0.66 S ATOM 1068 CE MET A 72 5.355 4.120 0.949 1.00 0.24 C ATOM 0 H MET A 72 2.170 4.137 -3.109 1.00 0.17 H new ATOM 0 HA MET A 72 3.159 6.113 -1.288 1.00 0.17 H new ATOM 0 HB2 MET A 72 4.676 4.253 -3.185 1.00 0.17 H new ATOM 0 HB3 MET A 72 5.351 5.046 -1.775 1.00 0.17 H new ATOM 0 HG2 MET A 72 3.028 3.049 -1.722 1.00 0.13 H new ATOM 0 HG3 MET A 72 4.683 2.674 -1.287 1.00 0.13 H new ATOM 0 HE1 MET A 72 5.376 4.226 2.034 1.00 0.24 H new ATOM 0 HE2 MET A 72 5.856 3.194 0.665 1.00 0.24 H new ATOM 0 HE3 MET A 72 5.869 4.966 0.492 1.00 0.24 H new ATOM 1078 N ALA A 73 3.601 6.702 -4.484 1.00 0.08 N ATOM 1079 CA ALA A 73 4.056 7.765 -5.417 1.00 0.12 C ATOM 1080 C ALA A 73 3.238 9.036 -5.178 1.00 0.16 C ATOM 1081 O ALA A 73 3.739 10.137 -5.294 1.00 0.23 O ATOM 1082 CB ALA A 73 3.886 7.290 -6.865 1.00 0.13 C ATOM 0 H ALA A 73 3.117 5.916 -4.918 1.00 0.08 H new ATOM 0 HA ALA A 73 5.110 7.981 -5.240 1.00 0.12 H new ATOM 0 HB1 ALA A 73 4.221 8.072 -7.546 1.00 0.13 H new ATOM 0 HB2 ALA A 73 4.481 6.391 -7.025 1.00 0.13 H new ATOM 0 HB3 ALA A 73 2.836 7.069 -7.054 1.00 0.13 H new ATOM 1222 N GLU A 82 14.855 18.110 -2.449 1.00 0.60 N ATOM 1223 CA GLU A 82 14.896 19.572 -2.189 1.00 0.73 C ATOM 1224 C GLU A 82 14.748 19.834 -0.688 1.00 0.66 C ATOM 1225 O GLU A 82 15.560 20.498 -0.075 1.00 0.77 O ATOM 1226 CB GLU A 82 13.735 20.217 -2.971 1.00 1.05 C ATOM 1227 CG GLU A 82 14.241 20.795 -4.296 1.00 1.74 C ATOM 1228 CD GLU A 82 13.049 21.228 -5.150 1.00 2.12 C ATOM 1229 OE1 GLU A 82 12.469 22.257 -4.841 1.00 1.25 O ATOM 1230 OE2 GLU A 82 12.735 20.527 -6.097 1.00 3.38 O ATOM 0 HA GLU A 82 15.846 19.999 -2.512 1.00 0.73 H new ATOM 0 HB2 GLU A 82 12.960 19.475 -3.163 1.00 1.05 H new ATOM 0 HB3 GLU A 82 13.279 21.006 -2.373 1.00 1.05 H new ATOM 0 HG2 GLU A 82 14.896 21.646 -4.108 1.00 1.74 H new ATOM 0 HG3 GLU A 82 14.832 20.050 -4.828 1.00 1.74 H new ATOM 1237 N GLU A 83 13.711 19.321 -0.104 1.00 0.59 N ATOM 1238 CA GLU A 83 13.485 19.531 1.354 1.00 0.77 C ATOM 1239 C GLU A 83 14.609 18.864 2.148 1.00 0.72 C ATOM 1240 O GLU A 83 14.844 19.178 3.299 1.00 0.93 O ATOM 1241 CB GLU A 83 12.128 18.926 1.754 1.00 0.81 C ATOM 1242 CG GLU A 83 10.998 19.911 1.423 1.00 1.42 C ATOM 1243 CD GLU A 83 9.661 19.167 1.377 1.00 1.56 C ATOM 1244 OE1 GLU A 83 9.285 18.601 2.391 1.00 1.14 O ATOM 1245 OE2 GLU A 83 9.036 19.175 0.329 1.00 2.45 O ATOM 0 H GLU A 83 13.001 18.759 -0.574 1.00 0.59 H new ATOM 0 HA GLU A 83 13.480 20.599 1.573 1.00 0.77 H new ATOM 0 HB2 GLU A 83 11.969 17.986 1.225 1.00 0.81 H new ATOM 0 HB3 GLU A 83 12.122 18.697 2.820 1.00 0.81 H new ATOM 0 HG2 GLU A 83 10.960 20.701 2.173 1.00 1.42 H new ATOM 0 HG3 GLU A 83 11.191 20.391 0.464 1.00 1.42 H new ATOM 1252 N GLU A 84 15.298 17.945 1.545 1.00 0.50 N ATOM 1253 CA GLU A 84 16.404 17.248 2.260 1.00 0.54 C ATOM 1254 C GLU A 84 17.645 18.142 2.297 1.00 0.51 C ATOM 1255 O GLU A 84 18.449 18.064 3.206 1.00 0.46 O ATOM 1256 CB GLU A 84 16.734 15.935 1.533 1.00 0.45 C ATOM 1257 CG GLU A 84 15.716 14.855 1.919 1.00 0.59 C ATOM 1258 CD GLU A 84 16.070 14.277 3.292 1.00 1.85 C ATOM 1259 OE1 GLU A 84 16.823 14.918 4.007 1.00 2.98 O ATOM 1260 OE2 GLU A 84 15.585 13.203 3.605 1.00 1.99 O ATOM 0 H GLU A 84 15.146 17.642 0.583 1.00 0.50 H new ATOM 0 HA GLU A 84 16.092 17.031 3.282 1.00 0.54 H new ATOM 0 HB2 GLU A 84 16.719 16.093 0.455 1.00 0.45 H new ATOM 0 HB3 GLU A 84 17.741 15.608 1.793 1.00 0.45 H new ATOM 0 HG2 GLU A 84 14.712 15.279 1.940 1.00 0.59 H new ATOM 0 HG3 GLU A 84 15.711 14.062 1.171 1.00 0.59 H new ATOM 1267 N ILE A 85 17.816 18.988 1.321 1.00 0.55 N ATOM 1268 CA ILE A 85 19.017 19.872 1.313 1.00 0.51 C ATOM 1269 C ILE A 85 18.807 21.049 2.282 1.00 0.58 C ATOM 1270 O ILE A 85 19.684 21.382 3.054 1.00 0.54 O ATOM 1271 CB ILE A 85 19.292 20.399 -0.112 1.00 0.42 C ATOM 1272 CG1 ILE A 85 19.900 19.269 -0.966 1.00 0.38 C ATOM 1273 CG2 ILE A 85 20.276 21.582 -0.029 1.00 0.36 C ATOM 1274 CD1 ILE A 85 20.216 19.775 -2.378 1.00 0.24 C ATOM 0 H ILE A 85 17.181 19.107 0.532 1.00 0.55 H new ATOM 0 HA ILE A 85 19.880 19.292 1.638 1.00 0.51 H new ATOM 0 HB ILE A 85 18.362 20.733 -0.572 1.00 0.42 H new ATOM 0 HG12 ILE A 85 20.810 18.898 -0.494 1.00 0.38 H new ATOM 0 HG13 ILE A 85 19.204 18.432 -1.020 1.00 0.38 H new ATOM 0 HG21 ILE A 85 20.476 21.960 -1.032 1.00 0.36 H new ATOM 0 HG22 ILE A 85 19.841 22.376 0.578 1.00 0.36 H new ATOM 0 HG23 ILE A 85 21.209 21.248 0.425 1.00 0.36 H new ATOM 0 HD11 ILE A 85 20.645 18.965 -2.968 1.00 0.24 H new ATOM 0 HD12 ILE A 85 19.299 20.124 -2.853 1.00 0.24 H new ATOM 0 HD13 ILE A 85 20.929 20.597 -2.319 1.00 0.24 H new ATOM 1286 N ARG A 86 17.668 21.686 2.250 1.00 0.68 N ATOM 1287 CA ARG A 86 17.442 22.836 3.176 1.00 0.76 C ATOM 1288 C ARG A 86 17.437 22.324 4.615 1.00 0.82 C ATOM 1289 O ARG A 86 18.030 22.919 5.494 1.00 0.80 O ATOM 1290 CB ARG A 86 16.101 23.501 2.854 1.00 0.89 C ATOM 1291 CG ARG A 86 14.951 22.557 3.220 1.00 1.31 C ATOM 1292 CD ARG A 86 13.660 23.046 2.564 1.00 1.56 C ATOM 1293 NE ARG A 86 13.794 22.961 1.083 1.00 2.38 N ATOM 1294 CZ ARG A 86 12.734 23.043 0.326 1.00 3.05 C ATOM 1295 NH1 ARG A 86 11.557 23.203 0.867 1.00 3.25 N ATOM 1296 NH2 ARG A 86 12.853 22.965 -0.971 1.00 3.88 N ATOM 0 H ARG A 86 16.890 21.464 1.629 1.00 0.68 H new ATOM 0 HA ARG A 86 18.238 23.570 3.054 1.00 0.76 H new ATOM 0 HB2 ARG A 86 16.006 24.435 3.407 1.00 0.89 H new ATOM 0 HB3 ARG A 86 16.054 23.752 1.794 1.00 0.89 H new ATOM 0 HG2 ARG A 86 15.179 21.544 2.888 1.00 1.31 H new ATOM 0 HG3 ARG A 86 14.829 22.518 4.302 1.00 1.31 H new ATOM 0 HD2 ARG A 86 12.817 22.441 2.899 1.00 1.56 H new ATOM 0 HD3 ARG A 86 13.454 24.074 2.863 1.00 1.56 H new ATOM 0 HE ARG A 86 14.714 22.839 0.660 1.00 2.38 H new ATOM 0 HH11 ARG A 86 11.466 23.264 1.881 1.00 3.25 H new ATOM 0 HH12 ARG A 86 10.728 23.267 0.276 1.00 3.25 H new ATOM 0 HH21 ARG A 86 13.774 22.840 -1.392 1.00 3.88 H new ATOM 0 HH22 ARG A 86 12.025 23.029 -1.564 1.00 3.88 H new ATOM 1310 N GLU A 87 16.776 21.226 4.870 1.00 0.90 N ATOM 1311 CA GLU A 87 16.754 20.698 6.261 1.00 0.98 C ATOM 1312 C GLU A 87 18.167 20.263 6.654 1.00 0.85 C ATOM 1313 O GLU A 87 18.508 20.234 7.819 1.00 0.86 O ATOM 1314 CB GLU A 87 15.771 19.522 6.376 1.00 1.15 C ATOM 1315 CG GLU A 87 14.336 20.051 6.317 1.00 1.50 C ATOM 1316 CD GLU A 87 13.360 18.899 6.551 1.00 1.52 C ATOM 1317 OE1 GLU A 87 13.804 17.762 6.550 1.00 0.72 O ATOM 1318 OE2 GLU A 87 12.183 19.169 6.725 1.00 2.71 O ATOM 0 H GLU A 87 16.257 20.679 4.183 1.00 0.90 H new ATOM 0 HA GLU A 87 16.417 21.481 6.941 1.00 0.98 H new ATOM 0 HB2 GLU A 87 15.942 18.811 5.568 1.00 1.15 H new ATOM 0 HB3 GLU A 87 15.935 18.987 7.311 1.00 1.15 H new ATOM 0 HG2 GLU A 87 14.191 20.824 7.071 1.00 1.50 H new ATOM 0 HG3 GLU A 87 14.146 20.512 5.348 1.00 1.50 H new ATOM 1325 N ALA A 88 19.014 19.970 5.698 1.00 0.74 N ATOM 1326 CA ALA A 88 20.408 19.598 6.053 1.00 0.66 C ATOM 1327 C ALA A 88 21.145 20.891 6.334 1.00 0.51 C ATOM 1328 O ALA A 88 21.880 21.016 7.280 1.00 0.45 O ATOM 1329 CB ALA A 88 21.091 18.877 4.892 1.00 0.63 C ATOM 0 H ALA A 88 18.800 19.973 4.701 1.00 0.74 H new ATOM 0 HA ALA A 88 20.413 18.929 6.914 1.00 0.66 H new ATOM 0 HB1 ALA A 88 22.110 18.615 5.176 1.00 0.63 H new ATOM 0 HB2 ALA A 88 20.537 17.970 4.650 1.00 0.63 H new ATOM 0 HB3 ALA A 88 21.114 19.531 4.020 1.00 0.63 H new ATOM 1335 N PHE A 89 20.930 21.873 5.524 1.00 0.46 N ATOM 1336 CA PHE A 89 21.604 23.161 5.769 1.00 0.35 C ATOM 1337 C PHE A 89 21.132 23.680 7.133 1.00 0.42 C ATOM 1338 O PHE A 89 21.841 24.398 7.809 1.00 0.39 O ATOM 1339 CB PHE A 89 21.246 24.151 4.648 1.00 0.37 C ATOM 1340 CG PHE A 89 22.243 24.037 3.505 1.00 0.28 C ATOM 1341 CD1 PHE A 89 23.570 24.443 3.692 1.00 0.22 C ATOM 1342 CD2 PHE A 89 21.840 23.536 2.250 1.00 0.29 C ATOM 1343 CE1 PHE A 89 24.477 24.348 2.644 1.00 0.18 C ATOM 1344 CE2 PHE A 89 22.776 23.445 1.195 1.00 0.23 C ATOM 1345 CZ PHE A 89 24.096 23.861 1.411 1.00 0.18 C ATOM 0 H PHE A 89 20.320 21.841 4.707 1.00 0.46 H new ATOM 0 HA PHE A 89 22.688 23.043 5.775 1.00 0.35 H new ATOM 0 HB2 PHE A 89 20.239 23.949 4.283 1.00 0.37 H new ATOM 0 HB3 PHE A 89 21.245 25.169 5.039 1.00 0.37 H new ATOM 0 HD1 PHE A 89 23.888 24.829 4.649 1.00 0.22 H new ATOM 0 HD2 PHE A 89 20.818 23.222 2.095 1.00 0.29 H new ATOM 0 HE1 PHE A 89 25.499 24.661 2.797 1.00 0.18 H new ATOM 0 HE2 PHE A 89 22.477 23.059 0.232 1.00 0.23 H new ATOM 0 HZ PHE A 89 24.818 23.800 0.610 1.00 0.18 H new ATOM 1355 N ARG A 90 19.953 23.296 7.562 1.00 0.56 N ATOM 1356 CA ARG A 90 19.480 23.748 8.900 1.00 0.65 C ATOM 1357 C ARG A 90 20.322 23.028 9.953 1.00 0.52 C ATOM 1358 O ARG A 90 20.778 23.616 10.912 1.00 0.41 O ATOM 1359 CB ARG A 90 17.992 23.407 9.080 1.00 0.93 C ATOM 1360 CG ARG A 90 17.120 24.465 8.381 1.00 2.20 C ATOM 1361 CD ARG A 90 15.638 24.272 8.761 1.00 2.41 C ATOM 1362 NE ARG A 90 14.777 24.538 7.566 1.00 3.45 N ATOM 1363 CZ ARG A 90 14.941 25.614 6.841 1.00 4.79 C ATOM 1364 NH1 ARG A 90 15.740 26.566 7.236 1.00 5.28 N ATOM 1365 NH2 ARG A 90 14.261 25.760 5.737 1.00 5.87 N ATOM 0 H ARG A 90 19.308 22.696 7.048 1.00 0.56 H new ATOM 0 HA ARG A 90 19.588 24.828 9.000 1.00 0.65 H new ATOM 0 HB2 ARG A 90 17.784 22.421 8.665 1.00 0.93 H new ATOM 0 HB3 ARG A 90 17.746 23.365 10.141 1.00 0.93 H new ATOM 0 HG2 ARG A 90 17.449 25.464 8.667 1.00 2.20 H new ATOM 0 HG3 ARG A 90 17.239 24.388 7.300 1.00 2.20 H new ATOM 0 HD2 ARG A 90 15.473 23.257 9.122 1.00 2.41 H new ATOM 0 HD3 ARG A 90 15.369 24.947 9.574 1.00 2.41 H new ATOM 0 HE ARG A 90 14.050 23.869 7.313 1.00 3.45 H new ATOM 0 HH11 ARG A 90 16.244 26.475 8.118 1.00 5.28 H new ATOM 0 HH12 ARG A 90 15.861 27.401 6.663 1.00 5.28 H new ATOM 0 HH21 ARG A 90 13.605 25.037 5.443 1.00 5.87 H new ATOM 0 HH22 ARG A 90 14.386 26.598 5.168 1.00 5.87 H new ATOM 1379 N VAL A 91 20.563 21.759 9.754 1.00 0.56 N ATOM 1380 CA VAL A 91 21.419 20.998 10.715 1.00 0.54 C ATOM 1381 C VAL A 91 22.735 21.763 10.852 1.00 0.36 C ATOM 1382 O VAL A 91 23.520 21.534 11.750 1.00 0.36 O ATOM 1383 CB VAL A 91 21.703 19.586 10.135 1.00 0.67 C ATOM 1384 CG1 VAL A 91 23.061 19.045 10.614 1.00 0.69 C ATOM 1385 CG2 VAL A 91 20.596 18.613 10.559 1.00 0.87 C ATOM 0 H VAL A 91 20.205 21.216 8.969 1.00 0.56 H new ATOM 0 HA VAL A 91 20.927 20.894 11.682 1.00 0.54 H new ATOM 0 HB VAL A 91 21.728 19.673 9.049 1.00 0.67 H new ATOM 0 HG11 VAL A 91 23.228 18.055 10.190 1.00 0.69 H new ATOM 0 HG12 VAL A 91 23.855 19.718 10.290 1.00 0.69 H new ATOM 0 HG13 VAL A 91 23.063 18.978 11.702 1.00 0.69 H new ATOM 0 HG21 VAL A 91 20.803 17.625 10.148 1.00 0.87 H new ATOM 0 HG22 VAL A 91 20.561 18.553 11.647 1.00 0.87 H new ATOM 0 HG23 VAL A 91 19.636 18.968 10.184 1.00 0.87 H new ATOM 1395 N PHE A 92 22.998 22.623 9.912 1.00 0.28 N ATOM 1396 CA PHE A 92 24.281 23.369 9.893 1.00 0.13 C ATOM 1397 C PHE A 92 24.133 24.786 10.453 1.00 0.10 C ATOM 1398 O PHE A 92 25.102 25.462 10.730 1.00 0.25 O ATOM 1399 CB PHE A 92 24.748 23.362 8.432 1.00 0.17 C ATOM 1400 CG PHE A 92 25.671 22.192 8.236 1.00 0.29 C ATOM 1401 CD1 PHE A 92 25.169 20.917 7.906 1.00 0.38 C ATOM 1402 CD2 PHE A 92 27.029 22.391 8.417 1.00 0.35 C ATOM 1403 CE1 PHE A 92 26.047 19.845 7.763 1.00 0.51 C ATOM 1404 CE2 PHE A 92 27.916 21.316 8.266 1.00 0.49 C ATOM 1405 CZ PHE A 92 27.417 20.040 7.942 1.00 0.55 C ATOM 0 H PHE A 92 22.366 22.844 9.143 1.00 0.28 H new ATOM 0 HA PHE A 92 25.021 22.897 10.540 1.00 0.13 H new ATOM 0 HB2 PHE A 92 23.893 23.287 7.761 1.00 0.17 H new ATOM 0 HB3 PHE A 92 25.260 24.294 8.193 1.00 0.17 H new ATOM 0 HD1 PHE A 92 24.108 20.772 7.765 1.00 0.38 H new ATOM 0 HD2 PHE A 92 27.404 23.371 8.674 1.00 0.35 H new ATOM 0 HE1 PHE A 92 25.668 18.865 7.514 1.00 0.51 H new ATOM 0 HE2 PHE A 92 28.977 21.466 8.398 1.00 0.49 H new ATOM 0 HZ PHE A 92 28.097 19.209 7.832 1.00 0.55 H new ATOM 1415 N ASP A 93 22.938 25.208 10.673 1.00 0.21 N ATOM 1416 CA ASP A 93 22.700 26.560 11.271 1.00 0.41 C ATOM 1417 C ASP A 93 22.666 26.411 12.796 1.00 0.58 C ATOM 1418 O ASP A 93 21.624 26.474 13.420 1.00 0.65 O ATOM 1419 CB ASP A 93 21.361 27.120 10.773 1.00 0.50 C ATOM 1420 CG ASP A 93 21.093 28.471 11.436 1.00 0.69 C ATOM 1421 OD1 ASP A 93 22.053 29.141 11.782 1.00 1.61 O ATOM 1422 OD2 ASP A 93 19.932 28.814 11.585 1.00 0.57 O ATOM 0 H ASP A 93 22.092 24.677 10.466 1.00 0.21 H new ATOM 0 HA ASP A 93 23.495 27.246 10.978 1.00 0.41 H new ATOM 0 HB2 ASP A 93 21.383 27.233 9.689 1.00 0.50 H new ATOM 0 HB3 ASP A 93 20.555 26.423 11.004 1.00 0.50 H new ATOM 1489 N TYR A 99 22.076 31.480 8.334 1.00 0.23 N ATOM 1490 CA TYR A 99 23.317 31.783 7.550 1.00 0.25 C ATOM 1491 C TYR A 99 24.490 30.984 8.122 1.00 0.26 C ATOM 1492 O TYR A 99 24.602 30.785 9.316 1.00 0.26 O ATOM 1493 CB TYR A 99 23.632 33.277 7.660 1.00 0.26 C ATOM 1494 CG TYR A 99 22.553 34.077 6.967 1.00 0.17 C ATOM 1495 CD1 TYR A 99 21.276 34.168 7.533 1.00 1.54 C ATOM 1496 CD2 TYR A 99 22.833 34.736 5.760 1.00 1.74 C ATOM 1497 CE1 TYR A 99 20.279 34.914 6.894 1.00 1.63 C ATOM 1498 CE2 TYR A 99 21.834 35.480 5.123 1.00 1.65 C ATOM 1499 CZ TYR A 99 20.557 35.568 5.690 1.00 0.09 C ATOM 1500 OH TYR A 99 19.574 36.305 5.061 1.00 0.15 O ATOM 0 HA TYR A 99 23.161 31.512 6.506 1.00 0.25 H new ATOM 0 HB2 TYR A 99 23.698 33.568 8.708 1.00 0.26 H new ATOM 0 HB3 TYR A 99 24.601 33.488 7.209 1.00 0.26 H new ATOM 0 HD1 TYR A 99 21.060 33.663 8.463 1.00 1.54 H new ATOM 0 HD2 TYR A 99 23.819 34.669 5.323 1.00 1.74 H new ATOM 0 HE1 TYR A 99 19.294 34.985 7.331 1.00 1.63 H new ATOM 0 HE2 TYR A 99 22.048 35.987 4.194 1.00 1.65 H new ATOM 0 HH TYR A 99 19.934 36.694 4.237 1.00 0.15 H new ATOM 1510 N ILE A 100 25.380 30.546 7.272 1.00 0.25 N ATOM 1511 CA ILE A 100 26.583 29.781 7.744 1.00 0.26 C ATOM 1512 C ILE A 100 27.788 30.238 6.923 1.00 0.26 C ATOM 1513 O ILE A 100 27.642 30.878 5.900 1.00 0.27 O ATOM 1514 CB ILE A 100 26.394 28.258 7.566 1.00 0.25 C ATOM 1515 CG1 ILE A 100 26.099 27.949 6.088 1.00 0.30 C ATOM 1516 CG2 ILE A 100 25.248 27.724 8.461 1.00 0.23 C ATOM 1517 CD1 ILE A 100 25.734 26.475 5.923 1.00 0.22 C ATOM 0 H ILE A 100 25.329 30.684 6.263 1.00 0.25 H new ATOM 0 HA ILE A 100 26.731 29.976 8.806 1.00 0.26 H new ATOM 0 HB ILE A 100 27.313 27.758 7.870 1.00 0.25 H new ATOM 0 HG12 ILE A 100 25.281 28.576 5.733 1.00 0.30 H new ATOM 0 HG13 ILE A 100 26.970 28.186 5.478 1.00 0.30 H new ATOM 0 HG21 ILE A 100 25.141 26.650 8.312 1.00 0.23 H new ATOM 0 HG22 ILE A 100 25.480 27.924 9.507 1.00 0.23 H new ATOM 0 HG23 ILE A 100 24.316 28.222 8.194 1.00 0.23 H new ATOM 0 HD11 ILE A 100 25.527 26.267 4.873 1.00 0.22 H new ATOM 0 HD12 ILE A 100 26.565 25.855 6.259 1.00 0.22 H new ATOM 0 HD13 ILE A 100 24.849 26.250 6.519 1.00 0.22 H new ATOM 1529 N SER A 101 28.979 29.916 7.347 1.00 0.27 N ATOM 1530 CA SER A 101 30.175 30.342 6.566 1.00 0.27 C ATOM 1531 C SER A 101 30.321 29.442 5.332 1.00 0.24 C ATOM 1532 O SER A 101 30.101 28.248 5.392 1.00 0.23 O ATOM 1533 CB SER A 101 31.430 30.237 7.440 1.00 0.31 C ATOM 1534 OG SER A 101 31.663 28.873 7.769 1.00 0.33 O ATOM 0 H SER A 101 29.175 29.381 8.193 1.00 0.27 H new ATOM 0 HA SER A 101 30.052 31.377 6.247 1.00 0.27 H new ATOM 0 HB2 SER A 101 32.290 30.647 6.911 1.00 0.31 H new ATOM 0 HB3 SER A 101 31.304 30.826 8.349 1.00 0.31 H new ATOM 0 HG SER A 101 32.466 28.804 8.326 1.00 0.33 H new ATOM 1540 N ALA A 102 30.679 30.015 4.211 1.00 0.24 N ATOM 1541 CA ALA A 102 30.833 29.222 2.951 1.00 0.23 C ATOM 1542 C ALA A 102 31.492 27.866 3.229 1.00 0.23 C ATOM 1543 O ALA A 102 31.256 26.900 2.533 1.00 0.27 O ATOM 1544 CB ALA A 102 31.701 30.010 1.976 1.00 0.25 C ATOM 0 H ALA A 102 30.874 31.011 4.113 1.00 0.24 H new ATOM 0 HA ALA A 102 29.845 29.043 2.528 1.00 0.23 H new ATOM 0 HB1 ALA A 102 31.820 29.442 1.054 1.00 0.25 H new ATOM 0 HB2 ALA A 102 31.225 30.965 1.755 1.00 0.25 H new ATOM 0 HB3 ALA A 102 32.680 30.188 2.422 1.00 0.25 H new ATOM 1550 N ALA A 103 32.313 27.774 4.237 1.00 0.19 N ATOM 1551 CA ALA A 103 32.961 26.466 4.536 1.00 0.20 C ATOM 1552 C ALA A 103 31.888 25.489 5.006 1.00 0.17 C ATOM 1553 O ALA A 103 31.631 24.477 4.387 1.00 0.19 O ATOM 1554 CB ALA A 103 34.010 26.651 5.636 1.00 0.21 C ATOM 0 H ALA A 103 32.562 28.540 4.862 1.00 0.19 H new ATOM 0 HA ALA A 103 33.451 26.079 3.643 1.00 0.20 H new ATOM 0 HB1 ALA A 103 34.483 25.693 5.853 1.00 0.21 H new ATOM 0 HB2 ALA A 103 34.766 27.361 5.302 1.00 0.21 H new ATOM 0 HB3 ALA A 103 33.529 27.031 6.537 1.00 0.21 H new ATOM 1560 N GLU A 104 31.251 25.809 6.088 1.00 0.13 N ATOM 1561 CA GLU A 104 30.171 24.931 6.616 1.00 0.08 C ATOM 1562 C GLU A 104 29.181 24.635 5.485 1.00 0.09 C ATOM 1563 O GLU A 104 28.511 23.623 5.478 1.00 0.08 O ATOM 1564 CB GLU A 104 29.458 25.668 7.753 1.00 0.10 C ATOM 1565 CG GLU A 104 30.260 25.518 9.050 1.00 0.63 C ATOM 1566 CD GLU A 104 29.727 26.496 10.099 1.00 0.53 C ATOM 1567 OE1 GLU A 104 29.076 27.453 9.713 1.00 0.27 O ATOM 1568 OE2 GLU A 104 29.979 26.270 11.271 1.00 1.10 O ATOM 0 H GLU A 104 31.431 26.649 6.638 1.00 0.13 H new ATOM 0 HA GLU A 104 30.583 23.994 6.990 1.00 0.08 H new ATOM 0 HB2 GLU A 104 29.348 26.723 7.502 1.00 0.10 H new ATOM 0 HB3 GLU A 104 28.454 25.266 7.887 1.00 0.10 H new ATOM 0 HG2 GLU A 104 30.185 24.495 9.420 1.00 0.63 H new ATOM 0 HG3 GLU A 104 31.316 25.711 8.861 1.00 0.63 H new ATOM 1575 N LEU A 105 29.093 25.517 4.528 1.00 0.17 N ATOM 1576 CA LEU A 105 28.155 25.298 3.390 1.00 0.16 C ATOM 1577 C LEU A 105 28.743 24.245 2.459 1.00 0.18 C ATOM 1578 O LEU A 105 28.093 23.278 2.114 1.00 0.16 O ATOM 1579 CB LEU A 105 27.970 26.626 2.640 1.00 0.17 C ATOM 1580 CG LEU A 105 27.102 26.439 1.346 1.00 0.23 C ATOM 1581 CD1 LEU A 105 25.760 27.203 1.411 1.00 0.28 C ATOM 1582 CD2 LEU A 105 27.876 26.946 0.135 1.00 0.28 C ATOM 0 H LEU A 105 29.631 26.382 4.485 1.00 0.17 H new ATOM 0 HA LEU A 105 27.187 24.952 3.753 1.00 0.16 H new ATOM 0 HB2 LEU A 105 27.493 27.353 3.297 1.00 0.17 H new ATOM 0 HB3 LEU A 105 28.945 27.032 2.370 1.00 0.17 H new ATOM 0 HG LEU A 105 26.885 25.374 1.265 1.00 0.23 H new ATOM 0 HD11 LEU A 105 25.202 27.037 0.490 1.00 0.28 H new ATOM 0 HD12 LEU A 105 25.177 26.843 2.258 1.00 0.28 H new ATOM 0 HD13 LEU A 105 25.954 28.269 1.531 1.00 0.28 H new ATOM 0 HD21 LEU A 105 27.272 26.816 -0.763 1.00 0.28 H new ATOM 0 HD22 LEU A 105 28.107 28.003 0.267 1.00 0.28 H new ATOM 0 HD23 LEU A 105 28.803 26.382 0.034 1.00 0.28 H new ATOM 1594 N ARG A 106 29.964 24.410 2.061 1.00 0.22 N ATOM 1595 CA ARG A 106 30.587 23.409 1.169 1.00 0.25 C ATOM 1596 C ARG A 106 30.536 22.067 1.899 1.00 0.26 C ATOM 1597 O ARG A 106 30.357 21.021 1.305 1.00 0.30 O ATOM 1598 CB ARG A 106 32.038 23.870 0.871 1.00 0.27 C ATOM 1599 CG ARG A 106 33.068 22.794 1.220 1.00 2.00 C ATOM 1600 CD ARG A 106 34.466 23.268 0.820 1.00 2.04 C ATOM 1601 NE ARG A 106 34.872 24.413 1.683 1.00 2.12 N ATOM 1602 CZ ARG A 106 36.127 24.765 1.746 1.00 2.55 C ATOM 1603 NH1 ARG A 106 37.025 24.100 1.075 1.00 2.58 N ATOM 1604 NH2 ARG A 106 36.483 25.780 2.486 1.00 3.67 N ATOM 0 H ARG A 106 30.560 25.198 2.316 1.00 0.22 H new ATOM 0 HA ARG A 106 30.071 23.306 0.214 1.00 0.25 H new ATOM 0 HB2 ARG A 106 32.126 24.127 -0.185 1.00 0.27 H new ATOM 0 HB3 ARG A 106 32.254 24.775 1.438 1.00 0.27 H new ATOM 0 HG2 ARG A 106 33.038 22.581 2.289 1.00 2.00 H new ATOM 0 HG3 ARG A 106 32.827 21.865 0.703 1.00 2.00 H new ATOM 0 HD2 ARG A 106 35.181 22.451 0.922 1.00 2.04 H new ATOM 0 HD3 ARG A 106 34.473 23.569 -0.228 1.00 2.04 H new ATOM 0 HE ARG A 106 34.171 24.920 2.223 1.00 2.12 H new ATOM 0 HH11 ARG A 106 36.747 23.304 0.501 1.00 2.58 H new ATOM 0 HH12 ARG A 106 38.006 24.375 1.124 1.00 2.58 H new ATOM 0 HH21 ARG A 106 35.780 26.297 3.014 1.00 3.67 H new ATOM 0 HH22 ARG A 106 37.464 26.056 2.536 1.00 3.67 H new ATOM 1618 N HIS A 107 30.687 22.105 3.188 1.00 0.26 N ATOM 1619 CA HIS A 107 30.644 20.854 3.983 1.00 0.29 C ATOM 1620 C HIS A 107 29.226 20.273 3.937 1.00 0.25 C ATOM 1621 O HIS A 107 29.042 19.089 3.746 1.00 0.31 O ATOM 1622 CB HIS A 107 31.050 21.170 5.425 1.00 0.31 C ATOM 1623 CG HIS A 107 31.524 19.916 6.105 1.00 0.37 C ATOM 1624 ND1 HIS A 107 32.587 19.165 5.621 1.00 0.71 N ATOM 1625 CD2 HIS A 107 31.089 19.271 7.227 1.00 0.19 C ATOM 1626 CE1 HIS A 107 32.753 18.121 6.451 1.00 0.66 C ATOM 1627 NE2 HIS A 107 31.864 18.135 7.447 1.00 0.34 N ATOM 0 H HIS A 107 30.840 22.956 3.729 1.00 0.26 H new ATOM 0 HA HIS A 107 31.335 20.119 3.571 1.00 0.29 H new ATOM 0 HB2 HIS A 107 31.840 21.921 5.434 1.00 0.31 H new ATOM 0 HB3 HIS A 107 30.203 21.591 5.967 1.00 0.31 H new ATOM 0 HD2 HIS A 107 30.268 19.593 7.850 1.00 0.19 H new ATOM 0 HE1 HIS A 107 33.513 17.363 6.327 1.00 0.66 H new ATOM 0 HE2 HIS A 107 31.772 17.459 8.206 1.00 0.34 H new ATOM 1635 N VAL A 108 28.214 21.092 4.090 1.00 0.18 N ATOM 1636 CA VAL A 108 26.818 20.565 4.028 1.00 0.18 C ATOM 1637 C VAL A 108 26.669 19.782 2.725 1.00 0.20 C ATOM 1638 O VAL A 108 25.993 18.775 2.656 1.00 0.23 O ATOM 1639 CB VAL A 108 25.804 21.724 3.970 1.00 0.18 C ATOM 1640 CG1 VAL A 108 24.390 21.162 3.686 1.00 0.22 C ATOM 1641 CG2 VAL A 108 25.800 22.504 5.297 1.00 0.21 C ATOM 0 H VAL A 108 28.294 22.096 4.254 1.00 0.18 H new ATOM 0 HA VAL A 108 26.632 19.951 4.909 1.00 0.18 H new ATOM 0 HB VAL A 108 26.093 22.404 3.169 1.00 0.18 H new ATOM 0 HG11 VAL A 108 23.674 21.983 3.645 1.00 0.22 H new ATOM 0 HG12 VAL A 108 24.393 20.635 2.732 1.00 0.22 H new ATOM 0 HG13 VAL A 108 24.106 20.472 4.481 1.00 0.22 H new ATOM 0 HG21 VAL A 108 25.078 23.319 5.238 1.00 0.21 H new ATOM 0 HG22 VAL A 108 25.525 21.834 6.112 1.00 0.21 H new ATOM 0 HG23 VAL A 108 26.794 22.912 5.482 1.00 0.21 H new ATOM 1651 N MET A 109 27.267 20.286 1.671 1.00 0.18 N ATOM 1652 CA MET A 109 27.129 19.628 0.345 1.00 0.19 C ATOM 1653 C MET A 109 27.956 18.333 0.289 1.00 0.26 C ATOM 1654 O MET A 109 27.614 17.409 -0.421 1.00 0.28 O ATOM 1655 CB MET A 109 27.595 20.587 -0.764 1.00 0.19 C ATOM 1656 CG MET A 109 26.880 21.941 -0.635 1.00 0.13 C ATOM 1657 SD MET A 109 27.833 23.200 -1.520 1.00 0.28 S ATOM 1658 CE MET A 109 26.982 23.052 -3.110 1.00 0.18 C ATOM 0 H MET A 109 27.845 21.127 1.678 1.00 0.18 H new ATOM 0 HA MET A 109 26.079 19.376 0.194 1.00 0.19 H new ATOM 0 HB2 MET A 109 28.674 20.730 -0.700 1.00 0.19 H new ATOM 0 HB3 MET A 109 27.389 20.151 -1.741 1.00 0.19 H new ATOM 0 HG2 MET A 109 25.872 21.875 -1.045 1.00 0.13 H new ATOM 0 HG3 MET A 109 26.779 22.215 0.415 1.00 0.13 H new ATOM 0 HE1 MET A 109 27.440 23.728 -3.832 1.00 0.18 H new ATOM 0 HE2 MET A 109 27.061 22.027 -3.471 1.00 0.18 H new ATOM 0 HE3 MET A 109 25.931 23.313 -2.986 1.00 0.18 H new ATOM 1668 N THR A 110 29.053 18.253 1.009 1.00 0.30 N ATOM 1669 CA THR A 110 29.890 17.027 0.965 1.00 0.37 C ATOM 1670 C THR A 110 29.348 15.984 1.963 1.00 0.41 C ATOM 1671 O THR A 110 29.254 14.814 1.656 1.00 0.48 O ATOM 1672 CB THR A 110 31.336 17.437 1.325 1.00 0.40 C ATOM 1673 OG1 THR A 110 31.365 18.836 1.581 1.00 0.37 O ATOM 1674 CG2 THR A 110 32.289 17.128 0.166 1.00 0.42 C ATOM 0 H THR A 110 29.398 18.990 1.624 1.00 0.30 H new ATOM 0 HA THR A 110 29.868 16.575 -0.027 1.00 0.37 H new ATOM 0 HB THR A 110 31.654 16.876 2.204 1.00 0.40 H new ATOM 0 HG1 THR A 110 31.077 19.321 0.780 1.00 0.37 H new ATOM 0 HG21 THR A 110 33.302 17.424 0.439 1.00 0.42 H new ATOM 0 HG22 THR A 110 32.268 16.059 -0.047 1.00 0.42 H new ATOM 0 HG23 THR A 110 31.976 17.681 -0.720 1.00 0.42 H new ATOM 1682 N ASN A 111 29.003 16.401 3.152 1.00 0.38 N ATOM 1683 CA ASN A 111 28.485 15.436 4.162 1.00 0.44 C ATOM 1684 C ASN A 111 27.195 14.798 3.658 1.00 0.47 C ATOM 1685 O ASN A 111 26.872 13.675 3.989 1.00 0.57 O ATOM 1686 CB ASN A 111 28.209 16.174 5.472 1.00 0.41 C ATOM 1687 CG ASN A 111 27.979 15.159 6.594 1.00 0.85 C ATOM 1688 OD1 ASN A 111 26.876 14.686 6.785 1.00 1.63 O ATOM 1689 ND2 ASN A 111 28.982 14.800 7.348 1.00 0.64 N ATOM 0 H ASN A 111 29.058 17.370 3.467 1.00 0.38 H new ATOM 0 HA ASN A 111 29.228 14.656 4.328 1.00 0.44 H new ATOM 0 HB2 ASN A 111 29.050 16.822 5.720 1.00 0.41 H new ATOM 0 HB3 ASN A 111 27.334 16.815 5.363 1.00 0.41 H new ATOM 0 HD21 ASN A 111 28.840 14.123 8.097 1.00 0.64 H new ATOM 0 HD22 ASN A 111 29.908 15.197 7.188 1.00 0.64 H new ATOM 1696 N LEU A 112 26.454 15.514 2.874 1.00 0.40 N ATOM 1697 CA LEU A 112 25.171 14.960 2.353 1.00 0.43 C ATOM 1698 C LEU A 112 25.439 13.694 1.545 1.00 0.50 C ATOM 1699 O LEU A 112 24.608 12.816 1.430 1.00 0.56 O ATOM 1700 CB LEU A 112 24.474 16.014 1.467 1.00 0.35 C ATOM 1701 CG LEU A 112 23.550 16.905 2.321 1.00 0.37 C ATOM 1702 CD1 LEU A 112 23.037 18.066 1.461 1.00 0.38 C ATOM 1703 CD2 LEU A 112 22.355 16.085 2.865 1.00 0.44 C ATOM 0 H LEU A 112 26.676 16.461 2.567 1.00 0.40 H new ATOM 0 HA LEU A 112 24.521 14.710 3.192 1.00 0.43 H new ATOM 0 HB2 LEU A 112 25.221 16.629 0.965 1.00 0.35 H new ATOM 0 HB3 LEU A 112 23.894 15.518 0.688 1.00 0.35 H new ATOM 0 HG LEU A 112 24.113 17.294 3.169 1.00 0.37 H new ATOM 0 HD11 LEU A 112 22.383 18.700 2.059 1.00 0.38 H new ATOM 0 HD12 LEU A 112 23.882 18.653 1.101 1.00 0.38 H new ATOM 0 HD13 LEU A 112 22.481 17.671 0.611 1.00 0.38 H new ATOM 0 HD21 LEU A 112 21.714 16.731 3.465 1.00 0.44 H new ATOM 0 HD22 LEU A 112 21.782 15.679 2.031 1.00 0.44 H new ATOM 0 HD23 LEU A 112 22.726 15.267 3.482 1.00 0.44 H new ATOM 1715 N GLY A 113 26.595 13.605 0.995 1.00 0.51 N ATOM 1716 CA GLY A 113 26.969 12.408 0.184 1.00 0.60 C ATOM 1717 C GLY A 113 26.522 12.606 -1.268 1.00 0.54 C ATOM 1718 O GLY A 113 26.201 11.661 -1.962 1.00 0.67 O ATOM 0 H GLY A 113 27.322 14.317 1.065 1.00 0.51 H new ATOM 0 HA2 GLY A 113 28.047 12.252 0.224 1.00 0.60 H new ATOM 0 HA3 GLY A 113 26.502 11.515 0.600 1.00 0.60 H new ATOM 1722 N GLU A 114 26.503 13.823 -1.733 1.00 0.38 N ATOM 1723 CA GLU A 114 26.081 14.083 -3.134 1.00 0.41 C ATOM 1724 C GLU A 114 27.260 13.773 -4.079 1.00 0.31 C ATOM 1725 O GLU A 114 28.405 13.988 -3.731 1.00 0.26 O ATOM 1726 CB GLU A 114 25.671 15.556 -3.258 1.00 0.42 C ATOM 1727 CG GLU A 114 24.331 15.770 -2.554 1.00 0.57 C ATOM 1728 CD GLU A 114 23.213 15.116 -3.371 1.00 1.03 C ATOM 1729 OE1 GLU A 114 23.491 14.689 -4.481 1.00 2.09 O ATOM 1730 OE2 GLU A 114 22.100 15.054 -2.875 1.00 1.75 O ATOM 0 H GLU A 114 26.763 14.652 -1.199 1.00 0.38 H new ATOM 0 HA GLU A 114 25.235 13.450 -3.404 1.00 0.41 H new ATOM 0 HB2 GLU A 114 26.434 16.196 -2.815 1.00 0.42 H new ATOM 0 HB3 GLU A 114 25.591 15.836 -4.308 1.00 0.42 H new ATOM 0 HG2 GLU A 114 24.362 15.341 -1.552 1.00 0.57 H new ATOM 0 HG3 GLU A 114 24.135 16.836 -2.438 1.00 0.57 H new ATOM 1737 N LYS A 115 27.005 13.252 -5.262 1.00 0.35 N ATOM 1738 CA LYS A 115 28.127 12.917 -6.192 1.00 0.35 C ATOM 1739 C LYS A 115 28.550 14.155 -6.974 1.00 0.41 C ATOM 1740 O LYS A 115 28.847 14.100 -8.150 1.00 0.52 O ATOM 1741 CB LYS A 115 27.666 11.842 -7.170 1.00 0.43 C ATOM 1742 CG LYS A 115 27.608 10.469 -6.467 1.00 0.45 C ATOM 1743 CD LYS A 115 28.994 9.783 -6.503 1.00 1.85 C ATOM 1744 CE LYS A 115 29.104 8.855 -7.725 1.00 1.76 C ATOM 1745 NZ LYS A 115 28.381 9.457 -8.882 1.00 1.66 N ATOM 0 H LYS A 115 26.071 13.047 -5.618 1.00 0.35 H new ATOM 0 HA LYS A 115 28.974 12.555 -5.610 1.00 0.35 H new ATOM 0 HB2 LYS A 115 26.683 12.098 -7.565 1.00 0.43 H new ATOM 0 HB3 LYS A 115 28.349 11.795 -8.018 1.00 0.43 H new ATOM 0 HG2 LYS A 115 27.285 10.596 -5.434 1.00 0.45 H new ATOM 0 HG3 LYS A 115 26.869 9.834 -6.956 1.00 0.45 H new ATOM 0 HD2 LYS A 115 29.779 10.538 -6.540 1.00 1.85 H new ATOM 0 HD3 LYS A 115 29.146 9.210 -5.589 1.00 1.85 H new ATOM 0 HE2 LYS A 115 30.152 8.698 -7.981 1.00 1.76 H new ATOM 0 HE3 LYS A 115 28.683 7.877 -7.490 1.00 1.76 H new ATOM 0 HZ1 LYS A 115 28.443 8.819 -9.701 1.00 1.66 H new ATOM 0 HZ2 LYS A 115 27.382 9.601 -8.630 1.00 1.66 H new ATOM 0 HZ3 LYS A 115 28.812 10.372 -9.123 1.00 1.66 H new ATOM 1759 N LEU A 116 28.585 15.261 -6.316 1.00 0.42 N ATOM 1760 CA LEU A 116 29.001 16.535 -6.986 1.00 0.53 C ATOM 1761 C LEU A 116 30.519 16.696 -6.876 1.00 0.50 C ATOM 1762 O LEU A 116 31.110 16.405 -5.854 1.00 0.44 O ATOM 1763 CB LEU A 116 28.319 17.731 -6.312 1.00 0.61 C ATOM 1764 CG LEU A 116 26.797 17.643 -6.496 1.00 1.46 C ATOM 1765 CD1 LEU A 116 26.120 18.631 -5.543 1.00 1.71 C ATOM 1766 CD2 LEU A 116 26.409 17.979 -7.948 1.00 2.11 C ATOM 0 H LEU A 116 28.343 15.354 -5.329 1.00 0.42 H new ATOM 0 HA LEU A 116 28.706 16.497 -8.035 1.00 0.53 H new ATOM 0 HB2 LEU A 116 28.564 17.749 -5.250 1.00 0.61 H new ATOM 0 HB3 LEU A 116 28.692 18.661 -6.741 1.00 0.61 H new ATOM 0 HG LEU A 116 26.470 16.627 -6.275 1.00 1.46 H new ATOM 0 HD11 LEU A 116 25.039 18.574 -5.668 1.00 1.71 H new ATOM 0 HD12 LEU A 116 26.380 18.381 -4.514 1.00 1.71 H new ATOM 0 HD13 LEU A 116 26.458 19.643 -5.767 1.00 1.71 H new ATOM 0 HD21 LEU A 116 25.327 17.912 -8.060 1.00 2.11 H new ATOM 0 HD22 LEU A 116 26.736 18.991 -8.187 1.00 2.11 H new ATOM 0 HD23 LEU A 116 26.889 17.273 -8.626 1.00 2.11 H new ATOM 1778 N THR A 117 31.156 17.156 -7.920 1.00 0.55 N ATOM 1779 CA THR A 117 32.638 17.335 -7.876 1.00 0.53 C ATOM 1780 C THR A 117 32.970 18.676 -7.227 1.00 0.48 C ATOM 1781 O THR A 117 32.197 19.613 -7.281 1.00 0.44 O ATOM 1782 CB THR A 117 33.196 17.313 -9.301 1.00 0.48 C ATOM 1783 OG1 THR A 117 32.509 18.274 -10.090 1.00 0.45 O ATOM 1784 CG2 THR A 117 33.010 15.923 -9.909 1.00 0.53 C ATOM 0 H THR A 117 30.714 17.416 -8.802 1.00 0.55 H new ATOM 0 HA THR A 117 33.083 16.527 -7.295 1.00 0.53 H new ATOM 0 HB THR A 117 34.259 17.553 -9.277 1.00 0.48 H new ATOM 0 HG1 THR A 117 31.588 17.975 -10.241 1.00 0.45 H new ATOM 0 HG21 THR A 117 33.409 15.913 -10.923 1.00 0.53 H new ATOM 0 HG22 THR A 117 33.539 15.187 -9.304 1.00 0.53 H new ATOM 0 HG23 THR A 117 31.949 15.676 -9.934 1.00 0.53 H new ATOM 1792 N ASP A 118 34.116 18.782 -6.614 1.00 0.53 N ATOM 1793 CA ASP A 118 34.496 20.067 -5.966 1.00 0.51 C ATOM 1794 C ASP A 118 34.437 21.199 -6.996 1.00 0.41 C ATOM 1795 O ASP A 118 34.129 22.328 -6.670 1.00 0.51 O ATOM 1796 CB ASP A 118 35.917 19.959 -5.409 1.00 0.58 C ATOM 1797 CG ASP A 118 36.020 18.725 -4.510 1.00 0.90 C ATOM 1798 OD1 ASP A 118 35.537 18.787 -3.392 1.00 0.66 O ATOM 1799 OD2 ASP A 118 36.582 17.739 -4.957 1.00 1.81 O ATOM 0 H ASP A 118 34.805 18.034 -6.534 1.00 0.53 H new ATOM 0 HA ASP A 118 33.802 20.280 -5.153 1.00 0.51 H new ATOM 0 HB2 ASP A 118 36.635 19.888 -6.226 1.00 0.58 H new ATOM 0 HB3 ASP A 118 36.166 20.856 -4.843 1.00 0.58 H new ATOM 1804 N GLU A 119 34.726 20.910 -8.239 1.00 0.26 N ATOM 1805 CA GLU A 119 34.679 21.978 -9.276 1.00 0.17 C ATOM 1806 C GLU A 119 33.257 22.521 -9.380 1.00 0.18 C ATOM 1807 O GLU A 119 33.035 23.715 -9.344 1.00 0.28 O ATOM 1808 CB GLU A 119 35.103 21.404 -10.632 1.00 0.22 C ATOM 1809 CG GLU A 119 36.571 20.968 -10.576 1.00 0.30 C ATOM 1810 CD GLU A 119 36.680 19.628 -9.848 1.00 0.98 C ATOM 1811 OE1 GLU A 119 36.093 18.669 -10.323 1.00 1.70 O ATOM 1812 OE2 GLU A 119 37.349 19.581 -8.828 1.00 1.81 O ATOM 0 H GLU A 119 34.991 19.985 -8.577 1.00 0.26 H new ATOM 0 HA GLU A 119 35.360 22.781 -8.996 1.00 0.17 H new ATOM 0 HB2 GLU A 119 34.471 20.554 -10.891 1.00 0.22 H new ATOM 0 HB3 GLU A 119 34.966 22.152 -11.413 1.00 0.22 H new ATOM 0 HG2 GLU A 119 36.973 20.879 -11.585 1.00 0.30 H new ATOM 0 HG3 GLU A 119 37.166 21.723 -10.061 1.00 0.30 H new ATOM 1819 N GLU A 120 32.284 21.657 -9.503 1.00 0.16 N ATOM 1820 CA GLU A 120 30.877 22.137 -9.601 1.00 0.22 C ATOM 1821 C GLU A 120 30.609 23.117 -8.460 1.00 0.24 C ATOM 1822 O GLU A 120 29.986 24.144 -8.641 1.00 0.33 O ATOM 1823 CB GLU A 120 29.915 20.945 -9.503 1.00 0.24 C ATOM 1824 CG GLU A 120 29.876 20.200 -10.842 1.00 0.33 C ATOM 1825 CD GLU A 120 29.132 18.876 -10.667 1.00 0.32 C ATOM 1826 OE1 GLU A 120 29.781 17.892 -10.351 1.00 0.33 O ATOM 1827 OE2 GLU A 120 27.926 18.869 -10.850 1.00 0.87 O ATOM 0 H GLU A 120 32.403 20.645 -9.540 1.00 0.16 H new ATOM 0 HA GLU A 120 30.722 22.636 -10.558 1.00 0.22 H new ATOM 0 HB2 GLU A 120 30.237 20.270 -8.710 1.00 0.24 H new ATOM 0 HB3 GLU A 120 28.916 21.293 -9.240 1.00 0.24 H new ATOM 0 HG2 GLU A 120 29.380 20.811 -11.596 1.00 0.33 H new ATOM 0 HG3 GLU A 120 30.890 20.016 -11.197 1.00 0.33 H new ATOM 1834 N VAL A 121 31.096 22.814 -7.289 1.00 0.26 N ATOM 1835 CA VAL A 121 30.893 23.726 -6.131 1.00 0.37 C ATOM 1836 C VAL A 121 31.617 25.041 -6.395 1.00 0.42 C ATOM 1837 O VAL A 121 31.080 26.112 -6.200 1.00 0.42 O ATOM 1838 CB VAL A 121 31.458 23.071 -4.871 1.00 0.42 C ATOM 1839 CG1 VAL A 121 31.295 24.023 -3.685 1.00 0.52 C ATOM 1840 CG2 VAL A 121 30.701 21.772 -4.592 1.00 0.57 C ATOM 0 H VAL A 121 31.629 21.969 -7.084 1.00 0.26 H new ATOM 0 HA VAL A 121 29.829 23.920 -5.993 1.00 0.37 H new ATOM 0 HB VAL A 121 32.516 22.852 -5.016 1.00 0.42 H new ATOM 0 HG11 VAL A 121 31.698 23.556 -2.786 1.00 0.52 H new ATOM 0 HG12 VAL A 121 31.833 24.949 -3.885 1.00 0.52 H new ATOM 0 HG13 VAL A 121 30.238 24.242 -3.537 1.00 0.52 H new ATOM 0 HG21 VAL A 121 31.102 21.303 -3.694 1.00 0.57 H new ATOM 0 HG22 VAL A 121 29.643 21.991 -4.445 1.00 0.57 H new ATOM 0 HG23 VAL A 121 30.817 21.094 -5.438 1.00 0.57 H new ATOM 1850 N ASP A 122 32.833 24.963 -6.848 1.00 0.44 N ATOM 1851 CA ASP A 122 33.603 26.205 -7.139 1.00 0.49 C ATOM 1852 C ASP A 122 32.789 27.089 -8.085 1.00 0.48 C ATOM 1853 O ASP A 122 32.859 28.300 -8.035 1.00 0.51 O ATOM 1854 CB ASP A 122 34.937 25.841 -7.792 1.00 0.51 C ATOM 1855 CG ASP A 122 35.804 25.073 -6.794 1.00 0.59 C ATOM 1856 OD1 ASP A 122 35.577 25.224 -5.603 1.00 1.12 O ATOM 1857 OD2 ASP A 122 36.680 24.347 -7.232 1.00 1.25 O ATOM 0 H ASP A 122 33.331 24.092 -7.031 1.00 0.44 H new ATOM 0 HA ASP A 122 33.796 26.744 -6.211 1.00 0.49 H new ATOM 0 HB2 ASP A 122 34.765 25.235 -8.681 1.00 0.51 H new ATOM 0 HB3 ASP A 122 35.453 26.745 -8.117 1.00 0.51 H new ATOM 1862 N GLU A 123 32.004 26.489 -8.939 1.00 0.47 N ATOM 1863 CA GLU A 123 31.171 27.291 -9.874 1.00 0.47 C ATOM 1864 C GLU A 123 29.998 27.863 -9.070 1.00 0.48 C ATOM 1865 O GLU A 123 29.637 29.014 -9.201 1.00 0.52 O ATOM 1866 CB GLU A 123 30.698 26.367 -11.034 1.00 0.46 C ATOM 1867 CG GLU A 123 29.173 26.386 -11.201 1.00 1.24 C ATOM 1868 CD GLU A 123 28.782 25.541 -12.417 1.00 1.49 C ATOM 1869 OE1 GLU A 123 29.604 24.756 -12.855 1.00 1.74 O ATOM 1870 OE2 GLU A 123 27.666 25.695 -12.887 1.00 2.29 O ATOM 0 H GLU A 123 31.905 25.478 -9.028 1.00 0.47 H new ATOM 0 HA GLU A 123 31.725 28.118 -10.318 1.00 0.47 H new ATOM 0 HB2 GLU A 123 31.168 26.685 -11.965 1.00 0.46 H new ATOM 0 HB3 GLU A 123 31.029 25.346 -10.842 1.00 0.46 H new ATOM 0 HG2 GLU A 123 28.693 25.995 -10.304 1.00 1.24 H new ATOM 0 HG3 GLU A 123 28.823 27.410 -11.329 1.00 1.24 H new ATOM 1877 N MET A 124 29.422 27.055 -8.226 1.00 0.45 N ATOM 1878 CA MET A 124 28.289 27.528 -7.390 1.00 0.46 C ATOM 1879 C MET A 124 28.787 28.639 -6.460 1.00 0.50 C ATOM 1880 O MET A 124 28.061 29.550 -6.121 1.00 0.50 O ATOM 1881 CB MET A 124 27.728 26.350 -6.605 1.00 0.43 C ATOM 1882 CG MET A 124 27.123 25.333 -7.577 1.00 0.37 C ATOM 1883 SD MET A 124 26.615 23.857 -6.660 1.00 0.57 S ATOM 1884 CE MET A 124 25.995 22.910 -8.072 1.00 0.28 C ATOM 0 H MET A 124 29.690 26.082 -8.080 1.00 0.45 H new ATOM 0 HA MET A 124 27.491 27.935 -8.011 1.00 0.46 H new ATOM 0 HB2 MET A 124 28.517 25.882 -6.016 1.00 0.43 H new ATOM 0 HB3 MET A 124 26.969 26.695 -5.903 1.00 0.43 H new ATOM 0 HG2 MET A 124 26.266 25.769 -8.090 1.00 0.37 H new ATOM 0 HG3 MET A 124 27.852 25.067 -8.343 1.00 0.37 H new ATOM 0 HE1 MET A 124 25.625 21.944 -7.728 1.00 0.28 H new ATOM 0 HE2 MET A 124 25.185 23.459 -8.551 1.00 0.28 H new ATOM 0 HE3 MET A 124 26.802 22.755 -8.789 1.00 0.28 H new ATOM 1894 N ILE A 125 30.038 28.590 -6.078 1.00 0.54 N ATOM 1895 CA ILE A 125 30.610 29.660 -5.202 1.00 0.58 C ATOM 1896 C ILE A 125 30.868 30.918 -6.052 1.00 0.61 C ATOM 1897 O ILE A 125 30.871 32.023 -5.549 1.00 0.64 O ATOM 1898 CB ILE A 125 31.931 29.151 -4.597 1.00 0.59 C ATOM 1899 CG1 ILE A 125 31.622 28.061 -3.560 1.00 0.57 C ATOM 1900 CG2 ILE A 125 32.691 30.300 -3.916 1.00 0.66 C ATOM 1901 CD1 ILE A 125 32.923 27.424 -3.061 1.00 0.58 C ATOM 0 H ILE A 125 30.692 27.851 -6.336 1.00 0.54 H new ATOM 0 HA ILE A 125 29.916 29.907 -4.399 1.00 0.58 H new ATOM 0 HB ILE A 125 32.552 28.745 -5.395 1.00 0.59 H new ATOM 0 HG12 ILE A 125 31.074 28.491 -2.722 1.00 0.57 H new ATOM 0 HG13 ILE A 125 30.981 27.298 -4.003 1.00 0.57 H new ATOM 0 HG21 ILE A 125 33.622 29.921 -3.494 1.00 0.66 H new ATOM 0 HG22 ILE A 125 32.914 31.074 -4.650 1.00 0.66 H new ATOM 0 HG23 ILE A 125 32.077 30.721 -3.120 1.00 0.66 H new ATOM 0 HD11 ILE A 125 32.692 26.653 -2.326 1.00 0.58 H new ATOM 0 HD12 ILE A 125 33.455 26.977 -3.901 1.00 0.58 H new ATOM 0 HD13 ILE A 125 33.549 28.188 -2.600 1.00 0.58 H new ATOM 1913 N ARG A 126 31.082 30.758 -7.335 1.00 0.59 N ATOM 1914 CA ARG A 126 31.337 31.944 -8.203 1.00 0.62 C ATOM 1915 C ARG A 126 30.001 32.669 -8.461 1.00 0.60 C ATOM 1916 O ARG A 126 29.916 33.876 -8.345 1.00 0.52 O ATOM 1917 CB ARG A 126 32.032 31.479 -9.520 1.00 0.94 C ATOM 1918 CG ARG A 126 31.259 31.925 -10.773 1.00 1.49 C ATOM 1919 CD ARG A 126 32.018 31.501 -12.055 1.00 1.53 C ATOM 1920 NE ARG A 126 32.068 32.645 -13.022 1.00 2.74 N ATOM 1921 CZ ARG A 126 31.002 33.346 -13.303 1.00 4.73 C ATOM 1922 NH1 ARG A 126 29.840 33.000 -12.823 1.00 5.58 N ATOM 1923 NH2 ARG A 126 31.095 34.381 -14.093 1.00 6.11 N ATOM 0 H ARG A 126 31.091 29.858 -7.816 1.00 0.59 H new ATOM 0 HA ARG A 126 32.009 32.651 -7.716 1.00 0.62 H new ATOM 0 HB2 ARG A 126 33.044 31.882 -9.557 1.00 0.94 H new ATOM 0 HB3 ARG A 126 32.121 30.393 -9.518 1.00 0.94 H new ATOM 0 HG2 ARG A 126 30.263 31.483 -10.770 1.00 1.49 H new ATOM 0 HG3 ARG A 126 31.128 33.007 -10.761 1.00 1.49 H new ATOM 0 HD2 ARG A 126 33.030 31.184 -11.801 1.00 1.53 H new ATOM 0 HD3 ARG A 126 31.522 30.646 -12.515 1.00 1.53 H new ATOM 0 HE ARG A 126 32.953 32.881 -13.470 1.00 2.74 H new ATOM 0 HH11 ARG A 126 29.760 32.178 -12.224 1.00 5.58 H new ATOM 0 HH12 ARG A 126 29.011 33.551 -13.046 1.00 5.58 H new ATOM 0 HH21 ARG A 126 31.998 34.641 -14.489 1.00 6.11 H new ATOM 0 HH22 ARG A 126 30.264 34.930 -14.314 1.00 6.11 H new ATOM 1937 N GLU A 127 28.959 31.953 -8.806 1.00 0.80 N ATOM 1938 CA GLU A 127 27.652 32.639 -9.057 1.00 0.92 C ATOM 1939 C GLU A 127 26.979 32.956 -7.707 1.00 0.83 C ATOM 1940 O GLU A 127 26.137 33.829 -7.616 1.00 0.92 O ATOM 1941 CB GLU A 127 26.735 31.730 -9.905 1.00 1.18 C ATOM 1942 CG GLU A 127 27.051 31.908 -11.394 1.00 1.26 C ATOM 1943 CD GLU A 127 26.487 33.247 -11.880 1.00 0.77 C ATOM 1944 OE1 GLU A 127 25.835 33.915 -11.095 1.00 1.52 O ATOM 1945 OE2 GLU A 127 26.719 33.580 -13.032 1.00 1.42 O ATOM 0 H GLU A 127 28.954 30.940 -8.923 1.00 0.80 H new ATOM 0 HA GLU A 127 27.826 33.567 -9.602 1.00 0.92 H new ATOM 0 HB2 GLU A 127 26.876 30.688 -9.617 1.00 1.18 H new ATOM 0 HB3 GLU A 127 25.690 31.975 -9.715 1.00 1.18 H new ATOM 0 HG2 GLU A 127 28.129 31.876 -11.554 1.00 1.26 H new ATOM 0 HG3 GLU A 127 26.619 31.089 -11.969 1.00 1.26 H new ATOM 1952 N ALA A 128 27.380 32.293 -6.648 1.00 0.67 N ATOM 1953 CA ALA A 128 26.824 32.582 -5.311 1.00 0.59 C ATOM 1954 C ALA A 128 27.720 33.636 -4.700 1.00 0.46 C ATOM 1955 O ALA A 128 28.582 33.339 -3.914 1.00 0.28 O ATOM 1956 CB ALA A 128 26.872 31.340 -4.438 1.00 0.52 C ATOM 0 H ALA A 128 28.082 31.553 -6.666 1.00 0.67 H new ATOM 0 HA ALA A 128 25.787 32.910 -5.387 1.00 0.59 H new ATOM 0 HB1 ALA A 128 26.459 31.569 -3.456 1.00 0.52 H new ATOM 0 HB2 ALA A 128 26.286 30.546 -4.902 1.00 0.52 H new ATOM 0 HB3 ALA A 128 27.906 31.012 -4.329 1.00 0.52 H new ATOM 1962 N ASP A 129 27.549 34.844 -5.096 1.00 0.59 N ATOM 1963 CA ASP A 129 28.405 35.953 -4.598 1.00 0.60 C ATOM 1964 C ASP A 129 28.698 35.763 -3.102 1.00 0.51 C ATOM 1965 O ASP A 129 27.974 36.210 -2.236 1.00 0.67 O ATOM 1966 CB ASP A 129 27.673 37.280 -4.835 1.00 0.84 C ATOM 1967 CG ASP A 129 26.168 37.080 -4.638 1.00 1.71 C ATOM 1968 OD1 ASP A 129 25.592 36.303 -5.382 1.00 2.56 O ATOM 1969 OD2 ASP A 129 25.618 37.710 -3.749 1.00 2.23 O ATOM 0 H ASP A 129 26.833 35.130 -5.764 1.00 0.59 H new ATOM 0 HA ASP A 129 29.355 35.958 -5.132 1.00 0.60 H new ATOM 0 HB2 ASP A 129 28.042 38.039 -4.145 1.00 0.84 H new ATOM 0 HB3 ASP A 129 27.873 37.642 -5.844 1.00 0.84 H new ATOM 1974 N ILE A 130 29.787 35.093 -2.828 1.00 0.32 N ATOM 1975 CA ILE A 130 30.211 34.834 -1.428 1.00 0.44 C ATOM 1976 C ILE A 130 31.242 35.883 -1.058 1.00 0.74 C ATOM 1977 O ILE A 130 32.431 35.644 -0.987 1.00 1.56 O ATOM 1978 CB ILE A 130 30.882 33.485 -1.293 1.00 0.49 C ATOM 1979 CG1 ILE A 130 29.989 32.332 -1.844 1.00 0.53 C ATOM 1980 CG2 ILE A 130 31.204 33.240 0.182 1.00 0.92 C ATOM 1981 CD1 ILE A 130 30.235 31.019 -1.077 1.00 0.63 C ATOM 0 H ILE A 130 30.412 34.707 -3.536 1.00 0.32 H new ATOM 0 HA ILE A 130 29.330 34.861 -0.787 1.00 0.44 H new ATOM 0 HB ILE A 130 31.797 33.494 -1.885 1.00 0.49 H new ATOM 0 HG12 ILE A 130 28.939 32.612 -1.763 1.00 0.53 H new ATOM 0 HG13 ILE A 130 30.198 32.182 -2.903 1.00 0.53 H new ATOM 0 HG21 ILE A 130 31.688 32.270 0.292 1.00 0.92 H new ATOM 0 HG22 ILE A 130 31.872 34.022 0.543 1.00 0.92 H new ATOM 0 HG23 ILE A 130 30.282 33.253 0.763 1.00 0.92 H new ATOM 0 HD11 ILE A 130 29.598 30.234 -1.485 1.00 0.63 H new ATOM 0 HD12 ILE A 130 31.280 30.728 -1.180 1.00 0.63 H new ATOM 0 HD13 ILE A 130 30.002 31.165 -0.022 1.00 0.63 H new ATOM 2024 N GLY A 134 30.790 37.187 4.638 1.00 0.56 N ATOM 2025 CA GLY A 134 31.534 35.906 4.794 1.00 0.48 C ATOM 2026 C GLY A 134 30.537 34.771 5.039 1.00 0.44 C ATOM 2027 O GLY A 134 30.903 33.611 5.091 1.00 0.48 O ATOM 0 HA2 GLY A 134 32.122 35.702 3.899 1.00 0.48 H new ATOM 0 HA3 GLY A 134 32.234 35.977 5.627 1.00 0.48 H new ATOM 2031 N GLN A 135 29.278 35.101 5.186 1.00 0.38 N ATOM 2032 CA GLN A 135 28.228 34.062 5.429 1.00 0.35 C ATOM 2033 C GLN A 135 27.147 34.196 4.351 1.00 0.29 C ATOM 2034 O GLN A 135 26.774 35.288 3.975 1.00 0.43 O ATOM 2035 CB GLN A 135 27.613 34.290 6.815 1.00 0.33 C ATOM 2036 CG GLN A 135 28.727 34.582 7.836 1.00 0.46 C ATOM 2037 CD GLN A 135 28.247 34.238 9.251 1.00 0.62 C ATOM 2038 OE1 GLN A 135 29.003 33.724 10.052 1.00 1.41 O ATOM 2039 NE2 GLN A 135 27.014 34.498 9.593 1.00 1.14 N ATOM 0 H GLN A 135 28.928 36.058 5.148 1.00 0.38 H new ATOM 0 HA GLN A 135 28.663 33.063 5.388 1.00 0.35 H new ATOM 0 HB2 GLN A 135 26.912 35.124 6.779 1.00 0.33 H new ATOM 0 HB3 GLN A 135 27.047 33.410 7.121 1.00 0.33 H new ATOM 0 HG2 GLN A 135 29.616 33.999 7.593 1.00 0.46 H new ATOM 0 HG3 GLN A 135 29.011 35.633 7.785 1.00 0.46 H new ATOM 0 HE21 GLN A 135 26.379 34.929 8.922 1.00 1.14 H new ATOM 0 HE22 GLN A 135 26.686 34.270 10.532 1.00 1.14 H new ATOM 2048 N VAL A 136 26.653 33.092 3.840 1.00 0.33 N ATOM 2049 CA VAL A 136 25.610 33.142 2.767 1.00 0.28 C ATOM 2050 C VAL A 136 24.385 32.338 3.219 1.00 0.23 C ATOM 2051 O VAL A 136 24.501 31.368 3.948 1.00 0.24 O ATOM 2052 CB VAL A 136 26.190 32.500 1.491 1.00 0.34 C ATOM 2053 CG1 VAL A 136 25.507 33.051 0.227 1.00 0.29 C ATOM 2054 CG2 VAL A 136 27.695 32.777 1.414 1.00 0.42 C ATOM 0 H VAL A 136 26.930 32.152 4.123 1.00 0.33 H new ATOM 0 HA VAL A 136 25.320 34.174 2.572 1.00 0.28 H new ATOM 0 HB VAL A 136 26.008 31.426 1.540 1.00 0.34 H new ATOM 0 HG11 VAL A 136 25.939 32.578 -0.655 1.00 0.29 H new ATOM 0 HG12 VAL A 136 24.439 32.837 0.268 1.00 0.29 H new ATOM 0 HG13 VAL A 136 25.659 34.129 0.172 1.00 0.29 H new ATOM 0 HG21 VAL A 136 28.103 32.322 0.511 1.00 0.42 H new ATOM 0 HG22 VAL A 136 27.866 33.853 1.387 1.00 0.42 H new ATOM 0 HG23 VAL A 136 28.188 32.353 2.289 1.00 0.42 H new ATOM 2064 N ASN A 137 23.217 32.710 2.772 1.00 0.18 N ATOM 2065 CA ASN A 137 22.006 31.966 3.132 1.00 0.19 C ATOM 2066 C ASN A 137 21.912 30.755 2.210 1.00 0.29 C ATOM 2067 O ASN A 137 21.579 30.867 1.045 1.00 1.01 O ATOM 2068 CB ASN A 137 20.806 32.872 2.930 1.00 0.20 C ATOM 2069 CG ASN A 137 20.997 33.700 1.658 1.00 1.62 C ATOM 2070 OD1 ASN A 137 21.523 33.213 0.677 1.00 2.09 O ATOM 2071 ND2 ASN A 137 20.591 34.939 1.632 1.00 2.70 N ATOM 0 H ASN A 137 23.062 33.513 2.163 1.00 0.18 H new ATOM 0 HA ASN A 137 22.034 31.638 4.171 1.00 0.19 H new ATOM 0 HB2 ASN A 137 19.896 32.276 2.855 1.00 0.20 H new ATOM 0 HB3 ASN A 137 20.686 33.531 3.790 1.00 0.20 H new ATOM 0 HD21 ASN A 137 20.715 35.499 0.788 1.00 2.70 H new ATOM 0 HD22 ASN A 137 20.149 35.348 2.455 1.00 2.70 H new ATOM 2078 N TYR A 138 22.234 29.614 2.725 1.00 0.43 N ATOM 2079 CA TYR A 138 22.208 28.365 1.918 1.00 0.40 C ATOM 2080 C TYR A 138 20.990 28.332 0.981 1.00 0.39 C ATOM 2081 O TYR A 138 20.979 27.615 0.003 1.00 0.34 O ATOM 2082 CB TYR A 138 22.145 27.176 2.877 1.00 0.33 C ATOM 2083 CG TYR A 138 21.153 27.472 3.977 1.00 0.22 C ATOM 2084 CD1 TYR A 138 19.786 27.350 3.721 1.00 1.28 C ATOM 2085 CD2 TYR A 138 21.591 27.863 5.251 1.00 1.61 C ATOM 2086 CE1 TYR A 138 18.854 27.618 4.720 1.00 1.39 C ATOM 2087 CE2 TYR A 138 20.655 28.136 6.256 1.00 1.52 C ATOM 2088 CZ TYR A 138 19.285 28.015 5.991 1.00 0.28 C ATOM 2089 OH TYR A 138 18.365 28.281 6.983 1.00 0.42 O ATOM 0 H TYR A 138 22.522 29.486 3.695 1.00 0.43 H new ATOM 0 HA TYR A 138 23.106 28.320 1.302 1.00 0.40 H new ATOM 0 HB2 TYR A 138 21.850 26.275 2.339 1.00 0.33 H new ATOM 0 HB3 TYR A 138 23.130 26.985 3.302 1.00 0.33 H new ATOM 0 HD1 TYR A 138 19.449 27.046 2.741 1.00 1.28 H new ATOM 0 HD2 TYR A 138 22.647 27.953 5.456 1.00 1.61 H new ATOM 0 HE1 TYR A 138 17.798 27.520 4.514 1.00 1.39 H new ATOM 0 HE2 TYR A 138 20.990 28.440 7.237 1.00 1.52 H new ATOM 0 HH TYR A 138 18.834 28.542 7.803 1.00 0.42 H new ATOM 2099 N GLU A 139 19.968 29.090 1.272 1.00 0.48 N ATOM 2100 CA GLU A 139 18.753 29.090 0.411 1.00 0.51 C ATOM 2101 C GLU A 139 19.150 29.201 -1.072 1.00 0.49 C ATOM 2102 O GLU A 139 18.811 28.352 -1.872 1.00 0.58 O ATOM 2103 CB GLU A 139 17.846 30.263 0.865 1.00 0.65 C ATOM 2104 CG GLU A 139 17.065 30.858 -0.306 1.00 1.47 C ATOM 2105 CD GLU A 139 16.334 29.747 -1.060 1.00 2.18 C ATOM 2106 OE1 GLU A 139 15.814 28.858 -0.405 1.00 2.58 O ATOM 2107 OE2 GLU A 139 16.305 29.803 -2.278 1.00 3.29 O ATOM 0 H GLU A 139 19.923 29.715 2.077 1.00 0.48 H new ATOM 0 HA GLU A 139 18.202 28.156 0.515 1.00 0.51 H new ATOM 0 HB2 GLU A 139 17.149 29.911 1.626 1.00 0.65 H new ATOM 0 HB3 GLU A 139 18.457 31.038 1.327 1.00 0.65 H new ATOM 0 HG2 GLU A 139 16.349 31.594 0.059 1.00 1.47 H new ATOM 0 HG3 GLU A 139 17.744 31.381 -0.979 1.00 1.47 H new ATOM 2114 N GLU A 140 19.845 30.234 -1.452 1.00 0.41 N ATOM 2115 CA GLU A 140 20.233 30.377 -2.885 1.00 0.38 C ATOM 2116 C GLU A 140 21.072 29.173 -3.317 1.00 0.33 C ATOM 2117 O GLU A 140 20.946 28.669 -4.417 1.00 0.34 O ATOM 2118 CB GLU A 140 21.052 31.656 -3.063 1.00 0.39 C ATOM 2119 CG GLU A 140 20.317 32.828 -2.412 1.00 1.15 C ATOM 2120 CD GLU A 140 21.128 34.110 -2.602 1.00 1.83 C ATOM 2121 OE1 GLU A 140 21.841 34.196 -3.589 1.00 1.88 O ATOM 2122 OE2 GLU A 140 21.022 34.984 -1.758 1.00 2.77 O ATOM 0 H GLU A 140 20.161 30.984 -0.837 1.00 0.41 H new ATOM 0 HA GLU A 140 19.334 30.428 -3.499 1.00 0.38 H new ATOM 0 HB2 GLU A 140 22.037 31.535 -2.612 1.00 0.39 H new ATOM 0 HB3 GLU A 140 21.209 31.855 -4.123 1.00 0.39 H new ATOM 0 HG2 GLU A 140 19.328 32.942 -2.856 1.00 1.15 H new ATOM 0 HG3 GLU A 140 20.169 32.633 -1.350 1.00 1.15 H new ATOM 2129 N PHE A 141 21.939 28.718 -2.459 1.00 0.30 N ATOM 2130 CA PHE A 141 22.802 27.555 -2.815 1.00 0.27 C ATOM 2131 C PHE A 141 21.940 26.298 -3.006 1.00 0.33 C ATOM 2132 O PHE A 141 22.237 25.461 -3.834 1.00 0.50 O ATOM 2133 CB PHE A 141 23.853 27.337 -1.696 1.00 0.13 C ATOM 2134 CG PHE A 141 25.249 27.595 -2.216 1.00 0.21 C ATOM 2135 CD1 PHE A 141 25.921 26.601 -2.930 1.00 0.31 C ATOM 2136 CD2 PHE A 141 25.879 28.825 -1.971 1.00 0.27 C ATOM 2137 CE1 PHE A 141 27.218 26.834 -3.398 1.00 0.44 C ATOM 2138 CE2 PHE A 141 27.180 29.049 -2.440 1.00 0.39 C ATOM 2139 CZ PHE A 141 27.844 28.053 -3.149 1.00 0.47 C ATOM 0 H PHE A 141 22.089 29.100 -1.525 1.00 0.30 H new ATOM 0 HA PHE A 141 23.320 27.756 -3.753 1.00 0.27 H new ATOM 0 HB2 PHE A 141 23.643 28.002 -0.858 1.00 0.13 H new ATOM 0 HB3 PHE A 141 23.783 26.317 -1.318 1.00 0.13 H new ATOM 0 HD1 PHE A 141 25.440 25.653 -3.121 1.00 0.31 H new ATOM 0 HD2 PHE A 141 25.362 29.598 -1.422 1.00 0.27 H new ATOM 0 HE1 PHE A 141 27.736 26.066 -3.954 1.00 0.44 H new ATOM 0 HE2 PHE A 141 27.667 29.994 -2.251 1.00 0.39 H new ATOM 0 HZ PHE A 141 28.848 28.226 -3.507 1.00 0.47 H new ATOM 2149 N VAL A 142 20.879 26.148 -2.257 1.00 0.27 N ATOM 2150 CA VAL A 142 20.036 24.930 -2.434 1.00 0.37 C ATOM 2151 C VAL A 142 19.546 24.873 -3.883 1.00 0.54 C ATOM 2152 O VAL A 142 19.733 23.895 -4.580 1.00 0.75 O ATOM 2153 CB VAL A 142 18.818 24.986 -1.508 1.00 0.42 C ATOM 2154 CG1 VAL A 142 17.969 23.726 -1.723 1.00 0.52 C ATOM 2155 CG2 VAL A 142 19.276 25.073 -0.035 1.00 0.37 C ATOM 0 H VAL A 142 20.564 26.804 -1.542 1.00 0.27 H new ATOM 0 HA VAL A 142 20.631 24.049 -2.193 1.00 0.37 H new ATOM 0 HB VAL A 142 18.224 25.870 -1.738 1.00 0.42 H new ATOM 0 HG11 VAL A 142 17.099 23.757 -1.067 1.00 0.52 H new ATOM 0 HG12 VAL A 142 17.640 23.682 -2.761 1.00 0.52 H new ATOM 0 HG13 VAL A 142 18.565 22.842 -1.494 1.00 0.52 H new ATOM 0 HG21 VAL A 142 18.403 25.112 0.616 1.00 0.37 H new ATOM 0 HG22 VAL A 142 19.874 24.196 0.213 1.00 0.37 H new ATOM 0 HG23 VAL A 142 19.875 25.972 0.107 1.00 0.37 H new ATOM 2165 N GLN A 143 18.914 25.925 -4.333 1.00 0.48 N ATOM 2166 CA GLN A 143 18.396 25.955 -5.729 1.00 0.66 C ATOM 2167 C GLN A 143 19.518 25.607 -6.710 1.00 0.58 C ATOM 2168 O GLN A 143 19.276 25.080 -7.779 1.00 0.62 O ATOM 2169 CB GLN A 143 17.866 27.355 -6.042 1.00 0.85 C ATOM 2170 CG GLN A 143 16.609 27.628 -5.213 1.00 0.94 C ATOM 2171 CD GLN A 143 16.202 29.093 -5.371 1.00 1.66 C ATOM 2172 OE1 GLN A 143 17.000 29.984 -5.155 1.00 2.74 O ATOM 2173 NE2 GLN A 143 14.985 29.385 -5.741 1.00 1.63 N ATOM 0 H GLN A 143 18.734 26.769 -3.789 1.00 0.48 H new ATOM 0 HA GLN A 143 17.593 25.225 -5.829 1.00 0.66 H new ATOM 0 HB2 GLN A 143 18.629 28.101 -5.820 1.00 0.85 H new ATOM 0 HB3 GLN A 143 17.638 27.439 -7.105 1.00 0.85 H new ATOM 0 HG2 GLN A 143 15.798 26.977 -5.538 1.00 0.94 H new ATOM 0 HG3 GLN A 143 16.797 27.403 -4.163 1.00 0.94 H new ATOM 0 HE21 GLN A 143 14.314 28.638 -5.923 1.00 1.63 H new ATOM 0 HE22 GLN A 143 14.705 30.360 -5.849 1.00 1.63 H new ATOM 2182 N MET A 144 20.738 25.907 -6.367 1.00 0.48 N ATOM 2183 CA MET A 144 21.864 25.601 -7.297 1.00 0.46 C ATOM 2184 C MET A 144 22.167 24.096 -7.282 1.00 0.35 C ATOM 2185 O MET A 144 22.399 23.495 -8.313 1.00 0.31 O ATOM 2186 CB MET A 144 23.115 26.392 -6.875 1.00 0.47 C ATOM 2187 CG MET A 144 23.034 27.825 -7.413 1.00 0.58 C ATOM 2188 SD MET A 144 24.180 28.878 -6.489 1.00 0.53 S ATOM 2189 CE MET A 144 23.321 30.443 -6.774 1.00 0.54 C ATOM 0 H MET A 144 21.006 26.349 -5.488 1.00 0.48 H new ATOM 0 HA MET A 144 21.579 25.892 -8.308 1.00 0.46 H new ATOM 0 HB2 MET A 144 23.197 26.407 -5.788 1.00 0.47 H new ATOM 0 HB3 MET A 144 24.011 25.902 -7.256 1.00 0.47 H new ATOM 0 HG2 MET A 144 23.282 27.842 -8.474 1.00 0.58 H new ATOM 0 HG3 MET A 144 22.017 28.204 -7.318 1.00 0.58 H new ATOM 0 HE1 MET A 144 23.864 31.251 -6.283 1.00 0.54 H new ATOM 0 HE2 MET A 144 23.269 30.640 -7.845 1.00 0.54 H new ATOM 0 HE3 MET A 144 22.312 30.384 -6.366 1.00 0.54 H new ATOM 2199 N MET A 145 22.168 23.482 -6.136 1.00 0.32 N ATOM 2200 CA MET A 145 22.460 22.019 -6.080 1.00 0.23 C ATOM 2201 C MET A 145 21.357 21.251 -6.808 1.00 0.26 C ATOM 2202 O MET A 145 21.550 20.130 -7.238 1.00 0.21 O ATOM 2203 CB MET A 145 22.527 21.562 -4.619 1.00 0.21 C ATOM 2204 CG MET A 145 23.802 22.116 -3.931 1.00 0.17 C ATOM 2205 SD MET A 145 24.789 20.750 -3.250 1.00 0.10 S ATOM 2206 CE MET A 145 23.634 20.231 -1.958 1.00 0.20 C ATOM 0 H MET A 145 21.980 23.924 -5.236 1.00 0.32 H new ATOM 0 HA MET A 145 23.418 21.822 -6.562 1.00 0.23 H new ATOM 0 HB2 MET A 145 21.641 21.904 -4.084 1.00 0.21 H new ATOM 0 HB3 MET A 145 22.526 20.473 -4.573 1.00 0.21 H new ATOM 0 HG2 MET A 145 24.396 22.681 -4.650 1.00 0.17 H new ATOM 0 HG3 MET A 145 23.524 22.806 -3.135 1.00 0.17 H new ATOM 0 HE1 MET A 145 24.193 19.878 -1.091 1.00 0.20 H new ATOM 0 HE2 MET A 145 23.009 21.076 -1.668 1.00 0.20 H new ATOM 0 HE3 MET A 145 23.003 19.426 -2.336 1.00 0.20 H new ATOM 2216 N THR A 146 20.204 21.839 -6.948 1.00 0.36 N ATOM 2217 CA THR A 146 19.099 21.157 -7.640 1.00 0.42 C ATOM 2218 C THR A 146 19.350 21.200 -9.147 1.00 0.44 C ATOM 2219 O THR A 146 19.720 20.220 -9.759 1.00 0.82 O ATOM 2220 CB THR A 146 17.802 21.901 -7.265 1.00 0.66 C ATOM 2221 OG1 THR A 146 18.150 23.101 -6.593 1.00 0.64 O ATOM 2222 CG2 THR A 146 16.936 21.046 -6.334 1.00 0.76 C ATOM 0 H THR A 146 19.986 22.775 -6.605 1.00 0.36 H new ATOM 0 HA THR A 146 19.020 20.110 -7.347 1.00 0.42 H new ATOM 0 HB THR A 146 17.237 22.112 -8.173 1.00 0.66 H new ATOM 0 HG1 THR A 146 18.279 23.818 -7.249 1.00 0.64 H new ATOM 0 HG21 THR A 146 16.026 21.590 -6.082 1.00 0.76 H new ATOM 0 HG22 THR A 146 16.674 20.114 -6.835 1.00 0.76 H new ATOM 0 HG23 THR A 146 17.491 20.825 -5.422 1.00 0.76 H new