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 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 90:sc= 1.23 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 -150:sc= -0.0662 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0345 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -92:sc= 1.12 USER MOD Single : A 41 GLN : amide:sc= -3.9! C(o=-3.9!,f=-1.9!) USER MOD Single : A 42 ASN : amide:sc= 0.366 K(o=0.37,f=-0.31) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.459 USER MOD Single : A 49 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.12) 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= -0.193 (180deg=-0.193) USER MOD Single : A 72 MET CE :methyl -153:sc= -0.22 (180deg=-1.23) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -73:sc= 0.0874 USER MOD Single : A 107 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.28) USER MOD Single : A 109 MET CE :methyl -172:sc= -2.43 (180deg=-2.97!) USER MOD Single : A 110 THR OG1 : rot -52:sc= -0.705! USER MOD Single : A 111 ASN : amide:sc= -0.0309 K(o=-0.031,f=-2.1!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -150:sc= -0.321 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= -3.45! C(o=-3.5!,f=-8.8!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 144 MET CE :methyl 164:sc= -0.102 (180deg=-0.486) USER MOD Single : A 145 MET CE :methyl -147:sc= -0.416 (180deg=-2.61!) USER MOD Single : A 146 THR OG1 : rot -140:sc= -0.449 USER MOD ----------------------------------------------------------------- ATOM 105 N GLN A 8 14.244 2.118 -2.933 1.00 0.64 N ATOM 106 CA GLN A 8 12.892 2.489 -2.428 1.00 0.55 C ATOM 107 C GLN A 8 11.860 1.513 -2.993 1.00 0.50 C ATOM 108 O GLN A 8 10.945 1.101 -2.308 1.00 0.43 O ATOM 109 CB GLN A 8 12.549 3.920 -2.860 1.00 0.57 C ATOM 110 CG GLN A 8 13.300 4.915 -1.972 1.00 0.61 C ATOM 111 CD GLN A 8 13.011 6.341 -2.442 1.00 0.69 C ATOM 112 OE1 GLN A 8 12.745 6.568 -3.605 1.00 0.65 O ATOM 113 NE2 GLN A 8 13.053 7.320 -1.579 1.00 0.83 N ATOM 0 HA GLN A 8 12.883 2.439 -1.339 1.00 0.55 H new ATOM 0 HB2 GLN A 8 12.821 4.071 -3.905 1.00 0.57 H new ATOM 0 HB3 GLN A 8 11.475 4.087 -2.783 1.00 0.57 H new ATOM 0 HG2 GLN A 8 12.993 4.794 -0.933 1.00 0.61 H new ATOM 0 HG3 GLN A 8 14.371 4.718 -2.013 1.00 0.61 H new ATOM 0 HE21 GLN A 8 13.276 7.130 -0.602 1.00 0.83 H new ATOM 0 HE22 GLN A 8 12.862 8.275 -1.882 1.00 0.83 H new ATOM 122 N ILE A 9 12.000 1.126 -4.232 1.00 0.55 N ATOM 123 CA ILE A 9 11.025 0.166 -4.813 1.00 0.53 C ATOM 124 C ILE A 9 11.172 -1.175 -4.096 1.00 0.50 C ATOM 125 O ILE A 9 10.208 -1.877 -3.863 1.00 0.45 O ATOM 126 CB ILE A 9 11.302 -0.017 -6.309 1.00 0.62 C ATOM 127 CG1 ILE A 9 10.997 1.291 -7.042 1.00 0.65 C ATOM 128 CG2 ILE A 9 10.412 -1.136 -6.864 1.00 0.63 C ATOM 129 CD1 ILE A 9 11.457 1.181 -8.498 1.00 0.74 C ATOM 0 H ILE A 9 12.742 1.432 -4.861 1.00 0.55 H new ATOM 0 HA ILE A 9 10.012 0.548 -4.687 1.00 0.53 H new ATOM 0 HB ILE A 9 12.349 -0.284 -6.456 1.00 0.62 H new ATOM 0 HG12 ILE A 9 9.928 1.502 -7.002 1.00 0.65 H new ATOM 0 HG13 ILE A 9 11.504 2.122 -6.551 1.00 0.65 H new ATOM 0 HG21 ILE A 9 10.610 -1.265 -7.928 1.00 0.63 H new ATOM 0 HG22 ILE A 9 10.628 -2.067 -6.339 1.00 0.63 H new ATOM 0 HG23 ILE A 9 9.364 -0.873 -6.720 1.00 0.63 H new ATOM 0 HD11 ILE A 9 11.239 2.113 -9.020 1.00 0.74 H new ATOM 0 HD12 ILE A 9 12.530 0.991 -8.527 1.00 0.74 H new ATOM 0 HD13 ILE A 9 10.930 0.361 -8.985 1.00 0.74 H new ATOM 141 N ALA A 10 12.376 -1.533 -3.739 1.00 0.55 N ATOM 142 CA ALA A 10 12.581 -2.826 -3.034 1.00 0.54 C ATOM 143 C ALA A 10 12.010 -2.724 -1.612 1.00 0.46 C ATOM 144 O ALA A 10 11.265 -3.576 -1.180 1.00 0.40 O ATOM 145 CB ALA A 10 14.086 -3.161 -2.993 1.00 0.65 C ATOM 0 H ALA A 10 13.222 -0.987 -3.905 1.00 0.55 H new ATOM 0 HA ALA A 10 12.063 -3.625 -3.565 1.00 0.54 H new ATOM 0 HB1 ALA A 10 14.234 -4.109 -2.476 1.00 0.65 H new ATOM 0 HB2 ALA A 10 14.469 -3.239 -4.010 1.00 0.65 H new ATOM 0 HB3 ALA A 10 14.620 -2.372 -2.464 1.00 0.65 H new ATOM 151 N GLU A 11 12.340 -1.686 -0.885 1.00 0.54 N ATOM 152 CA GLU A 11 11.811 -1.541 0.498 1.00 0.48 C ATOM 153 C GLU A 11 10.299 -1.780 0.491 1.00 0.38 C ATOM 154 O GLU A 11 9.771 -2.533 1.286 1.00 0.32 O ATOM 155 CB GLU A 11 12.122 -0.108 0.996 1.00 0.47 C ATOM 156 CG GLU A 11 12.841 -0.146 2.344 1.00 0.90 C ATOM 157 CD GLU A 11 12.006 -0.938 3.353 1.00 2.19 C ATOM 158 OE1 GLU A 11 10.883 -0.537 3.607 1.00 2.84 O ATOM 159 OE2 GLU A 11 12.505 -1.932 3.853 1.00 3.41 O ATOM 0 H GLU A 11 12.955 -0.933 -1.194 1.00 0.54 H new ATOM 0 HA GLU A 11 12.278 -2.269 1.162 1.00 0.48 H new ATOM 0 HB2 GLU A 11 12.741 0.410 0.263 1.00 0.47 H new ATOM 0 HB3 GLU A 11 11.196 0.459 1.089 1.00 0.47 H new ATOM 0 HG2 GLU A 11 13.823 -0.605 2.230 1.00 0.90 H new ATOM 0 HG3 GLU A 11 13.004 0.868 2.709 1.00 0.90 H new ATOM 166 N PHE A 12 9.604 -1.135 -0.397 1.00 0.37 N ATOM 167 CA PHE A 12 8.133 -1.313 -0.454 1.00 0.31 C ATOM 168 C PHE A 12 7.811 -2.737 -0.906 1.00 0.30 C ATOM 169 O PHE A 12 6.783 -3.285 -0.562 1.00 0.25 O ATOM 170 CB PHE A 12 7.531 -0.321 -1.451 1.00 0.37 C ATOM 171 CG PHE A 12 8.027 1.104 -1.224 1.00 0.40 C ATOM 172 CD1 PHE A 12 8.519 1.540 0.027 1.00 0.64 C ATOM 173 CD2 PHE A 12 7.966 2.010 -2.294 1.00 0.36 C ATOM 174 CE1 PHE A 12 8.939 2.868 0.185 1.00 0.67 C ATOM 175 CE2 PHE A 12 8.390 3.330 -2.127 1.00 0.36 C ATOM 176 CZ PHE A 12 8.874 3.762 -0.890 1.00 0.47 C ATOM 0 H PHE A 12 9.992 -0.491 -1.087 1.00 0.37 H new ATOM 0 HA PHE A 12 7.711 -1.135 0.535 1.00 0.31 H new ATOM 0 HB2 PHE A 12 7.781 -0.633 -2.465 1.00 0.37 H new ATOM 0 HB3 PHE A 12 6.444 -0.342 -1.369 1.00 0.37 H new ATOM 0 HD1 PHE A 12 8.571 0.853 0.858 1.00 0.64 H new ATOM 0 HD2 PHE A 12 7.589 1.684 -3.252 1.00 0.36 H new ATOM 0 HE1 PHE A 12 9.314 3.203 1.141 1.00 0.67 H new ATOM 0 HE2 PHE A 12 8.344 4.019 -2.957 1.00 0.36 H new ATOM 0 HZ PHE A 12 9.198 4.785 -0.763 1.00 0.47 H new ATOM 186 N LYS A 13 8.673 -3.342 -1.672 1.00 0.40 N ATOM 187 CA LYS A 13 8.394 -4.731 -2.131 1.00 0.39 C ATOM 188 C LYS A 13 8.516 -5.692 -0.947 1.00 0.34 C ATOM 189 O LYS A 13 7.710 -6.586 -0.786 1.00 0.31 O ATOM 190 CB LYS A 13 9.380 -5.131 -3.232 1.00 0.42 C ATOM 191 CG LYS A 13 9.089 -6.577 -3.698 1.00 0.39 C ATOM 192 CD LYS A 13 9.476 -6.751 -5.180 1.00 0.51 C ATOM 193 CE LYS A 13 8.315 -6.314 -6.081 1.00 0.57 C ATOM 194 NZ LYS A 13 8.791 -6.211 -7.489 1.00 1.33 N ATOM 0 H LYS A 13 9.552 -2.940 -1.998 1.00 0.40 H new ATOM 0 HA LYS A 13 7.382 -4.779 -2.534 1.00 0.39 H new ATOM 0 HB2 LYS A 13 9.296 -4.444 -4.074 1.00 0.42 H new ATOM 0 HB3 LYS A 13 10.402 -5.058 -2.861 1.00 0.42 H new ATOM 0 HG2 LYS A 13 9.648 -7.283 -3.084 1.00 0.39 H new ATOM 0 HG3 LYS A 13 8.032 -6.804 -3.562 1.00 0.39 H new ATOM 0 HD2 LYS A 13 10.364 -6.159 -5.404 1.00 0.51 H new ATOM 0 HD3 LYS A 13 9.729 -7.793 -5.378 1.00 0.51 H new ATOM 0 HE2 LYS A 13 7.498 -7.032 -6.014 1.00 0.57 H new ATOM 0 HE3 LYS A 13 7.923 -5.353 -5.747 1.00 0.57 H new ATOM 0 HZ1 LYS A 13 8.004 -5.915 -8.101 1.00 1.33 H new ATOM 0 HZ2 LYS A 13 9.557 -5.510 -7.546 1.00 1.33 H new ATOM 0 HZ3 LYS A 13 9.145 -7.137 -7.804 1.00 1.33 H new ATOM 208 N GLU A 14 9.504 -5.518 -0.105 1.00 0.35 N ATOM 209 CA GLU A 14 9.631 -6.433 1.064 1.00 0.30 C ATOM 210 C GLU A 14 8.441 -6.196 1.990 1.00 0.26 C ATOM 211 O GLU A 14 7.852 -7.119 2.516 1.00 0.31 O ATOM 212 CB GLU A 14 10.937 -6.156 1.826 1.00 0.32 C ATOM 213 CG GLU A 14 12.088 -5.929 0.836 1.00 0.39 C ATOM 214 CD GLU A 14 13.428 -6.244 1.508 1.00 0.98 C ATOM 215 OE1 GLU A 14 13.554 -7.332 2.046 1.00 1.13 O ATOM 216 OE2 GLU A 14 14.302 -5.395 1.472 1.00 1.98 O ATOM 0 H GLU A 14 10.217 -4.792 -0.176 1.00 0.35 H new ATOM 0 HA GLU A 14 9.648 -7.467 0.718 1.00 0.30 H new ATOM 0 HB2 GLU A 14 10.817 -5.280 2.463 1.00 0.32 H new ATOM 0 HB3 GLU A 14 11.170 -6.996 2.480 1.00 0.32 H new ATOM 0 HG2 GLU A 14 11.954 -6.562 -0.041 1.00 0.39 H new ATOM 0 HG3 GLU A 14 12.081 -4.896 0.488 1.00 0.39 H new ATOM 223 N ALA A 15 8.086 -4.958 2.181 1.00 0.17 N ATOM 224 CA ALA A 15 6.932 -4.644 3.067 1.00 0.13 C ATOM 225 C ALA A 15 5.643 -5.168 2.429 1.00 0.10 C ATOM 226 O ALA A 15 4.704 -5.531 3.110 1.00 0.07 O ATOM 227 CB ALA A 15 6.833 -3.128 3.254 1.00 0.11 C ATOM 0 H ALA A 15 8.545 -4.149 1.762 1.00 0.17 H new ATOM 0 HA ALA A 15 7.075 -5.120 4.037 1.00 0.13 H new ATOM 0 HB1 ALA A 15 5.988 -2.896 3.903 1.00 0.11 H new ATOM 0 HB2 ALA A 15 7.752 -2.757 3.708 1.00 0.11 H new ATOM 0 HB3 ALA A 15 6.688 -2.651 2.285 1.00 0.11 H new ATOM 233 N PHE A 16 5.592 -5.204 1.128 1.00 0.14 N ATOM 234 CA PHE A 16 4.367 -5.698 0.439 1.00 0.17 C ATOM 235 C PHE A 16 4.307 -7.225 0.499 1.00 0.22 C ATOM 236 O PHE A 16 3.269 -7.806 0.750 1.00 0.23 O ATOM 237 CB PHE A 16 4.406 -5.253 -1.022 1.00 0.21 C ATOM 238 CG PHE A 16 3.048 -5.450 -1.650 1.00 0.23 C ATOM 239 CD1 PHE A 16 2.724 -6.671 -2.257 1.00 0.24 C ATOM 240 CD2 PHE A 16 2.118 -4.405 -1.633 1.00 0.27 C ATOM 241 CE1 PHE A 16 1.465 -6.844 -2.847 1.00 0.26 C ATOM 242 CE2 PHE A 16 0.862 -4.578 -2.220 1.00 0.30 C ATOM 243 CZ PHE A 16 0.538 -5.793 -2.826 1.00 0.29 C ATOM 0 H PHE A 16 6.348 -4.912 0.509 1.00 0.14 H new ATOM 0 HA PHE A 16 3.486 -5.289 0.934 1.00 0.17 H new ATOM 0 HB2 PHE A 16 4.698 -4.205 -1.085 1.00 0.21 H new ATOM 0 HB3 PHE A 16 5.156 -5.826 -1.567 1.00 0.21 H new ATOM 0 HD1 PHE A 16 3.443 -7.477 -2.270 1.00 0.24 H new ATOM 0 HD2 PHE A 16 2.371 -3.465 -1.166 1.00 0.27 H new ATOM 0 HE1 PHE A 16 1.210 -7.783 -3.316 1.00 0.26 H new ATOM 0 HE2 PHE A 16 0.143 -3.773 -2.205 1.00 0.30 H new ATOM 0 HZ PHE A 16 -0.433 -5.924 -3.281 1.00 0.29 H new ATOM 253 N SER A 17 5.404 -7.879 0.256 1.00 0.25 N ATOM 254 CA SER A 17 5.407 -9.367 0.281 1.00 0.30 C ATOM 255 C SER A 17 5.250 -9.876 1.718 1.00 0.31 C ATOM 256 O SER A 17 4.881 -11.010 1.943 1.00 0.46 O ATOM 257 CB SER A 17 6.724 -9.877 -0.303 1.00 0.33 C ATOM 258 OG SER A 17 7.064 -9.094 -1.439 1.00 1.35 O ATOM 0 H SER A 17 6.303 -7.447 0.040 1.00 0.25 H new ATOM 0 HA SER A 17 4.571 -9.736 -0.314 1.00 0.30 H new ATOM 0 HB2 SER A 17 7.515 -9.818 0.445 1.00 0.33 H new ATOM 0 HB3 SER A 17 6.629 -10.926 -0.584 1.00 0.33 H new ATOM 0 HG SER A 17 7.612 -8.331 -1.159 1.00 1.35 H new ATOM 264 N LEU A 18 5.531 -9.055 2.695 1.00 0.18 N ATOM 265 CA LEU A 18 5.397 -9.515 4.108 1.00 0.18 C ATOM 266 C LEU A 18 3.941 -9.913 4.380 1.00 0.20 C ATOM 267 O LEU A 18 3.660 -10.640 5.313 1.00 0.21 O ATOM 268 CB LEU A 18 5.812 -8.378 5.072 1.00 0.12 C ATOM 269 CG LEU A 18 7.320 -8.455 5.404 1.00 0.12 C ATOM 270 CD1 LEU A 18 7.725 -7.236 6.259 1.00 0.08 C ATOM 271 CD2 LEU A 18 7.637 -9.761 6.177 1.00 0.14 C ATOM 0 H LEU A 18 5.846 -8.092 2.577 1.00 0.18 H new ATOM 0 HA LEU A 18 6.046 -10.376 4.269 1.00 0.18 H new ATOM 0 HB2 LEU A 18 5.584 -7.412 4.620 1.00 0.12 H new ATOM 0 HB3 LEU A 18 5.230 -8.445 5.991 1.00 0.12 H new ATOM 0 HG LEU A 18 7.885 -8.452 4.472 1.00 0.12 H new ATOM 0 HD11 LEU A 18 8.788 -7.292 6.492 1.00 0.08 H new ATOM 0 HD12 LEU A 18 7.523 -6.319 5.705 1.00 0.08 H new ATOM 0 HD13 LEU A 18 7.150 -7.234 7.185 1.00 0.08 H new ATOM 0 HD21 LEU A 18 8.703 -9.800 6.403 1.00 0.14 H new ATOM 0 HD22 LEU A 18 7.068 -9.781 7.106 1.00 0.14 H new ATOM 0 HD23 LEU A 18 7.364 -10.621 5.566 1.00 0.14 H new ATOM 283 N PHE A 19 3.016 -9.431 3.586 1.00 0.21 N ATOM 284 CA PHE A 19 1.569 -9.763 3.805 1.00 0.25 C ATOM 285 C PHE A 19 0.971 -10.384 2.541 1.00 0.30 C ATOM 286 O PHE A 19 -0.228 -10.368 2.342 1.00 0.33 O ATOM 287 CB PHE A 19 0.822 -8.481 4.153 1.00 0.22 C ATOM 288 CG PHE A 19 1.464 -7.867 5.368 1.00 0.19 C ATOM 289 CD1 PHE A 19 2.617 -7.087 5.230 1.00 0.14 C ATOM 290 CD2 PHE A 19 0.916 -8.088 6.635 1.00 0.23 C ATOM 291 CE1 PHE A 19 3.221 -6.524 6.359 1.00 0.11 C ATOM 292 CE2 PHE A 19 1.518 -7.526 7.767 1.00 0.21 C ATOM 293 CZ PHE A 19 2.672 -6.743 7.629 1.00 0.15 C ATOM 0 H PHE A 19 3.200 -8.819 2.791 1.00 0.21 H new ATOM 0 HA PHE A 19 1.478 -10.482 4.619 1.00 0.25 H new ATOM 0 HB2 PHE A 19 0.855 -7.785 3.315 1.00 0.22 H new ATOM 0 HB3 PHE A 19 -0.229 -8.696 4.348 1.00 0.22 H new ATOM 0 HD1 PHE A 19 3.041 -6.919 4.251 1.00 0.14 H new ATOM 0 HD2 PHE A 19 0.027 -8.693 6.741 1.00 0.23 H new ATOM 0 HE1 PHE A 19 4.110 -5.921 6.252 1.00 0.11 H new ATOM 0 HE2 PHE A 19 1.094 -7.696 8.746 1.00 0.21 H new ATOM 0 HZ PHE A 19 3.138 -6.309 8.501 1.00 0.15 H new ATOM 303 N ASP A 20 1.793 -10.943 1.693 1.00 0.32 N ATOM 304 CA ASP A 20 1.278 -11.584 0.443 1.00 0.39 C ATOM 305 C ASP A 20 1.209 -13.099 0.664 1.00 0.44 C ATOM 306 O ASP A 20 1.974 -13.858 0.100 1.00 0.47 O ATOM 307 CB ASP A 20 2.233 -11.283 -0.713 1.00 0.40 C ATOM 308 CG ASP A 20 1.747 -11.996 -1.977 1.00 0.48 C ATOM 309 OD1 ASP A 20 0.610 -11.772 -2.359 1.00 0.78 O ATOM 310 OD2 ASP A 20 2.519 -12.753 -2.542 1.00 1.47 O ATOM 0 H ASP A 20 2.805 -10.984 1.811 1.00 0.32 H new ATOM 0 HA ASP A 20 0.288 -11.195 0.203 1.00 0.39 H new ATOM 0 HB2 ASP A 20 2.284 -10.208 -0.886 1.00 0.40 H new ATOM 0 HB3 ASP A 20 3.241 -11.613 -0.461 1.00 0.40 H new ATOM 315 N LYS A 21 0.308 -13.540 1.501 1.00 0.46 N ATOM 316 CA LYS A 21 0.189 -15.002 1.796 1.00 0.51 C ATOM 317 C LYS A 21 -0.568 -15.722 0.684 1.00 0.50 C ATOM 318 O LYS A 21 -0.814 -16.909 0.756 1.00 0.50 O ATOM 319 CB LYS A 21 -0.577 -15.180 3.103 1.00 0.53 C ATOM 320 CG LYS A 21 0.158 -14.463 4.245 1.00 0.56 C ATOM 321 CD LYS A 21 1.363 -15.293 4.707 1.00 0.66 C ATOM 322 CE LYS A 21 1.871 -14.748 6.043 1.00 0.68 C ATOM 323 NZ LYS A 21 3.114 -15.473 6.431 1.00 1.74 N ATOM 0 H LYS A 21 -0.357 -12.947 1.998 1.00 0.46 H new ATOM 0 HA LYS A 21 1.191 -15.426 1.871 1.00 0.51 H new ATOM 0 HB2 LYS A 21 -1.585 -14.779 3.000 1.00 0.53 H new ATOM 0 HB3 LYS A 21 -0.677 -16.241 3.334 1.00 0.53 H new ATOM 0 HG2 LYS A 21 0.491 -13.480 3.912 1.00 0.56 H new ATOM 0 HG3 LYS A 21 -0.523 -14.302 5.081 1.00 0.56 H new ATOM 0 HD2 LYS A 21 1.079 -16.340 4.813 1.00 0.66 H new ATOM 0 HD3 LYS A 21 2.155 -15.252 3.960 1.00 0.66 H new ATOM 0 HE2 LYS A 21 2.070 -13.680 5.961 1.00 0.68 H new ATOM 0 HE3 LYS A 21 1.109 -14.872 6.813 1.00 0.68 H new ATOM 0 HZ1 LYS A 21 3.462 -15.104 7.339 1.00 1.74 H new ATOM 0 HZ2 LYS A 21 2.909 -16.488 6.525 1.00 1.74 H new ATOM 0 HZ3 LYS A 21 3.840 -15.333 5.700 1.00 1.74 H new ATOM 337 N ASP A 22 -0.946 -15.014 -0.333 1.00 0.48 N ATOM 338 CA ASP A 22 -1.701 -15.642 -1.461 1.00 0.48 C ATOM 339 C ASP A 22 -0.747 -15.939 -2.622 1.00 0.49 C ATOM 340 O ASP A 22 -1.154 -16.408 -3.667 1.00 0.50 O ATOM 341 CB ASP A 22 -2.787 -14.675 -1.940 1.00 0.48 C ATOM 342 CG ASP A 22 -3.545 -14.121 -0.734 1.00 0.68 C ATOM 343 OD1 ASP A 22 -2.936 -13.410 0.048 1.00 1.70 O ATOM 344 OD2 ASP A 22 -4.722 -14.417 -0.611 1.00 0.88 O ATOM 0 H ASP A 22 -0.766 -14.016 -0.440 1.00 0.48 H new ATOM 0 HA ASP A 22 -2.155 -16.572 -1.118 1.00 0.48 H new ATOM 0 HB2 ASP A 22 -2.338 -13.859 -2.507 1.00 0.48 H new ATOM 0 HB3 ASP A 22 -3.476 -15.188 -2.611 1.00 0.48 H new ATOM 349 N GLY A 23 0.521 -15.674 -2.449 1.00 0.50 N ATOM 350 CA GLY A 23 1.496 -15.945 -3.544 1.00 0.51 C ATOM 351 C GLY A 23 0.963 -15.359 -4.847 1.00 0.50 C ATOM 352 O GLY A 23 1.414 -15.698 -5.924 1.00 0.52 O ATOM 0 H GLY A 23 0.923 -15.282 -1.597 1.00 0.50 H new ATOM 0 HA2 GLY A 23 2.464 -15.505 -3.303 1.00 0.51 H new ATOM 0 HA3 GLY A 23 1.652 -17.019 -3.651 1.00 0.51 H new ATOM 356 N ASP A 24 0.003 -14.480 -4.753 1.00 0.47 N ATOM 357 CA ASP A 24 -0.577 -13.853 -5.979 1.00 0.47 C ATOM 358 C ASP A 24 0.036 -12.464 -6.174 1.00 0.43 C ATOM 359 O ASP A 24 -0.270 -11.768 -7.123 1.00 0.45 O ATOM 360 CB ASP A 24 -2.094 -13.727 -5.813 1.00 0.47 C ATOM 361 CG ASP A 24 -2.740 -13.446 -7.174 1.00 0.47 C ATOM 362 OD1 ASP A 24 -2.566 -14.257 -8.069 1.00 1.27 O ATOM 363 OD2 ASP A 24 -3.394 -12.423 -7.296 1.00 1.09 O ATOM 0 H ASP A 24 -0.409 -14.166 -3.874 1.00 0.47 H new ATOM 0 HA ASP A 24 -0.358 -14.472 -6.849 1.00 0.47 H new ATOM 0 HB2 ASP A 24 -2.501 -14.645 -5.389 1.00 0.47 H new ATOM 0 HB3 ASP A 24 -2.328 -12.923 -5.115 1.00 0.47 H new ATOM 368 N GLY A 25 0.903 -12.054 -5.286 1.00 0.38 N ATOM 369 CA GLY A 25 1.534 -10.710 -5.428 1.00 0.34 C ATOM 370 C GLY A 25 0.511 -9.623 -5.078 1.00 0.34 C ATOM 371 O GLY A 25 0.578 -8.522 -5.584 1.00 0.34 O ATOM 0 H GLY A 25 1.200 -12.590 -4.471 1.00 0.38 H new ATOM 0 HA2 GLY A 25 2.401 -10.633 -4.772 1.00 0.34 H new ATOM 0 HA3 GLY A 25 1.893 -10.571 -6.448 1.00 0.34 H new ATOM 375 N THR A 26 -0.444 -9.919 -4.219 1.00 0.34 N ATOM 376 CA THR A 26 -1.468 -8.897 -3.846 1.00 0.34 C ATOM 377 C THR A 26 -1.765 -8.980 -2.346 1.00 0.31 C ATOM 378 O THR A 26 -1.416 -9.936 -1.684 1.00 0.31 O ATOM 379 CB THR A 26 -2.762 -9.144 -4.626 1.00 0.41 C ATOM 380 OG1 THR A 26 -3.346 -10.365 -4.193 1.00 0.42 O ATOM 381 CG2 THR A 26 -2.456 -9.222 -6.123 1.00 0.44 C ATOM 0 H THR A 26 -0.553 -10.825 -3.764 1.00 0.34 H new ATOM 0 HA THR A 26 -1.079 -7.908 -4.088 1.00 0.34 H new ATOM 0 HB THR A 26 -3.457 -8.324 -4.446 1.00 0.41 H new ATOM 0 HG1 THR A 26 -4.176 -10.525 -4.689 1.00 0.42 H new ATOM 0 HG21 THR A 26 -3.380 -9.398 -6.674 1.00 0.44 H new ATOM 0 HG22 THR A 26 -2.010 -8.284 -6.453 1.00 0.44 H new ATOM 0 HG23 THR A 26 -1.760 -10.040 -6.310 1.00 0.44 H new ATOM 389 N ILE A 27 -2.417 -7.981 -1.812 1.00 0.31 N ATOM 390 CA ILE A 27 -2.761 -7.980 -0.358 1.00 0.29 C ATOM 391 C ILE A 27 -4.172 -7.413 -0.198 1.00 0.33 C ATOM 392 O ILE A 27 -4.727 -6.849 -1.120 1.00 0.36 O ATOM 393 CB ILE A 27 -1.762 -7.106 0.409 1.00 0.25 C ATOM 394 CG1 ILE A 27 -1.778 -5.679 -0.164 1.00 0.27 C ATOM 395 CG2 ILE A 27 -0.356 -7.703 0.276 1.00 0.22 C ATOM 396 CD1 ILE A 27 -0.816 -4.793 0.624 1.00 0.25 C ATOM 0 H ILE A 27 -2.729 -7.157 -2.326 1.00 0.31 H new ATOM 0 HA ILE A 27 -2.717 -8.994 0.039 1.00 0.29 H new ATOM 0 HB ILE A 27 -2.042 -7.071 1.462 1.00 0.25 H new ATOM 0 HG12 ILE A 27 -1.492 -5.697 -1.216 1.00 0.27 H new ATOM 0 HG13 ILE A 27 -2.787 -5.269 -0.115 1.00 0.27 H new ATOM 0 HG21 ILE A 27 0.356 -7.083 0.821 1.00 0.22 H new ATOM 0 HG22 ILE A 27 -0.349 -8.712 0.689 1.00 0.22 H new ATOM 0 HG23 ILE A 27 -0.074 -7.739 -0.776 1.00 0.22 H new ATOM 0 HD11 ILE A 27 -0.832 -3.783 0.213 1.00 0.25 H new ATOM 0 HD12 ILE A 27 -1.122 -4.764 1.670 1.00 0.25 H new ATOM 0 HD13 ILE A 27 0.193 -5.198 0.552 1.00 0.25 H new ATOM 408 N THR A 28 -4.763 -7.551 0.960 1.00 0.33 N ATOM 409 CA THR A 28 -6.139 -7.011 1.158 1.00 0.36 C ATOM 410 C THR A 28 -6.078 -5.603 1.739 1.00 0.29 C ATOM 411 O THR A 28 -5.047 -5.145 2.191 1.00 0.26 O ATOM 412 CB THR A 28 -6.902 -7.893 2.142 1.00 0.41 C ATOM 413 OG1 THR A 28 -6.605 -7.481 3.471 1.00 0.37 O ATOM 414 CG2 THR A 28 -6.488 -9.347 1.951 1.00 0.47 C ATOM 0 H THR A 28 -4.354 -8.012 1.773 1.00 0.33 H new ATOM 0 HA THR A 28 -6.640 -6.993 0.190 1.00 0.36 H new ATOM 0 HB THR A 28 -7.973 -7.798 1.963 1.00 0.41 H new ATOM 0 HG1 THR A 28 -6.665 -8.252 4.074 1.00 0.37 H new ATOM 0 HG21 THR A 28 -7.034 -9.976 2.654 1.00 0.47 H new ATOM 0 HG22 THR A 28 -6.716 -9.659 0.932 1.00 0.47 H new ATOM 0 HG23 THR A 28 -5.417 -9.447 2.130 1.00 0.47 H new ATOM 422 N THR A 29 -7.191 -4.927 1.757 1.00 0.27 N ATOM 423 CA THR A 29 -7.226 -3.564 2.335 1.00 0.21 C ATOM 424 C THR A 29 -7.042 -3.663 3.850 1.00 0.20 C ATOM 425 O THR A 29 -6.484 -2.787 4.479 1.00 0.22 O ATOM 426 CB THR A 29 -8.587 -2.932 2.034 1.00 0.21 C ATOM 427 OG1 THR A 29 -9.612 -3.885 2.285 1.00 0.21 O ATOM 428 CG2 THR A 29 -8.649 -2.494 0.570 1.00 0.22 C ATOM 0 H THR A 29 -8.082 -5.265 1.393 1.00 0.27 H new ATOM 0 HA THR A 29 -6.432 -2.954 1.905 1.00 0.21 H new ATOM 0 HB THR A 29 -8.727 -2.060 2.673 1.00 0.21 H new ATOM 0 HG1 THR A 29 -10.486 -3.484 2.095 1.00 0.21 H new ATOM 0 HG21 THR A 29 -9.621 -2.046 0.365 1.00 0.22 H new ATOM 0 HG22 THR A 29 -7.864 -1.763 0.375 1.00 0.22 H new ATOM 0 HG23 THR A 29 -8.506 -3.361 -0.075 1.00 0.22 H new ATOM 436 N LYS A 30 -7.518 -4.727 4.440 1.00 0.23 N ATOM 437 CA LYS A 30 -7.382 -4.888 5.912 1.00 0.27 C ATOM 438 C LYS A 30 -5.906 -4.849 6.305 1.00 0.26 C ATOM 439 O LYS A 30 -5.559 -4.459 7.402 1.00 0.26 O ATOM 440 CB LYS A 30 -7.987 -6.229 6.333 1.00 0.38 C ATOM 441 CG LYS A 30 -9.513 -6.159 6.238 1.00 0.24 C ATOM 442 CD LYS A 30 -10.115 -7.477 6.732 1.00 0.63 C ATOM 443 CE LYS A 30 -11.611 -7.508 6.414 1.00 0.92 C ATOM 444 NZ LYS A 30 -12.155 -8.863 6.720 1.00 1.74 N ATOM 0 H LYS A 30 -7.996 -5.492 3.963 1.00 0.23 H new ATOM 0 HA LYS A 30 -7.907 -4.075 6.413 1.00 0.27 H new ATOM 0 HB2 LYS A 30 -7.609 -7.026 5.693 1.00 0.38 H new ATOM 0 HB3 LYS A 30 -7.687 -6.470 7.353 1.00 0.38 H new ATOM 0 HG2 LYS A 30 -9.888 -5.329 6.836 1.00 0.24 H new ATOM 0 HG3 LYS A 30 -9.816 -5.972 5.208 1.00 0.24 H new ATOM 0 HD2 LYS A 30 -9.614 -8.319 6.255 1.00 0.63 H new ATOM 0 HD3 LYS A 30 -9.959 -7.580 7.806 1.00 0.63 H new ATOM 0 HE2 LYS A 30 -12.134 -6.753 7.001 1.00 0.92 H new ATOM 0 HE3 LYS A 30 -11.776 -7.267 5.364 1.00 0.92 H new ATOM 0 HZ1 LYS A 30 -13.172 -8.886 6.504 1.00 1.74 H new ATOM 0 HZ2 LYS A 30 -11.663 -9.573 6.142 1.00 1.74 H new ATOM 0 HZ3 LYS A 30 -12.010 -9.076 7.728 1.00 1.74 H new ATOM 458 N GLU A 31 -5.033 -5.256 5.422 1.00 0.24 N ATOM 459 CA GLU A 31 -3.569 -5.251 5.748 1.00 0.23 C ATOM 460 C GLU A 31 -2.899 -4.017 5.135 1.00 0.18 C ATOM 461 O GLU A 31 -1.693 -3.879 5.167 1.00 0.12 O ATOM 462 CB GLU A 31 -2.912 -6.511 5.177 1.00 0.26 C ATOM 463 CG GLU A 31 -3.647 -7.756 5.687 1.00 0.30 C ATOM 464 CD GLU A 31 -3.194 -8.980 4.889 1.00 0.33 C ATOM 465 OE1 GLU A 31 -3.524 -9.053 3.716 1.00 0.40 O ATOM 466 OE2 GLU A 31 -2.528 -9.824 5.464 1.00 0.53 O ATOM 0 H GLU A 31 -5.267 -5.592 4.488 1.00 0.24 H new ATOM 0 HA GLU A 31 -3.449 -5.228 6.831 1.00 0.23 H new ATOM 0 HB2 GLU A 31 -2.937 -6.483 4.088 1.00 0.26 H new ATOM 0 HB3 GLU A 31 -1.863 -6.551 5.471 1.00 0.26 H new ATOM 0 HG2 GLU A 31 -3.441 -7.904 6.747 1.00 0.30 H new ATOM 0 HG3 GLU A 31 -4.724 -7.622 5.587 1.00 0.30 H new ATOM 473 N LEU A 32 -3.662 -3.121 4.571 1.00 0.20 N ATOM 474 CA LEU A 32 -3.048 -1.909 3.958 1.00 0.15 C ATOM 475 C LEU A 32 -2.430 -1.032 5.051 1.00 0.12 C ATOM 476 O LEU A 32 -1.294 -0.613 4.950 1.00 0.08 O ATOM 477 CB LEU A 32 -4.125 -1.118 3.201 1.00 0.17 C ATOM 478 CG LEU A 32 -3.551 0.206 2.671 1.00 0.15 C ATOM 479 CD1 LEU A 32 -2.296 -0.058 1.825 1.00 0.14 C ATOM 480 CD2 LEU A 32 -4.612 0.902 1.810 1.00 0.14 C ATOM 0 H LEU A 32 -4.679 -3.175 4.508 1.00 0.20 H new ATOM 0 HA LEU A 32 -2.266 -2.212 3.262 1.00 0.15 H new ATOM 0 HB2 LEU A 32 -4.506 -1.714 2.371 1.00 0.17 H new ATOM 0 HB3 LEU A 32 -4.968 -0.917 3.862 1.00 0.17 H new ATOM 0 HG LEU A 32 -3.278 0.842 3.513 1.00 0.15 H new ATOM 0 HD11 LEU A 32 -1.900 0.888 1.456 1.00 0.14 H new ATOM 0 HD12 LEU A 32 -1.542 -0.553 2.437 1.00 0.14 H new ATOM 0 HD13 LEU A 32 -2.554 -0.697 0.981 1.00 0.14 H new ATOM 0 HD21 LEU A 32 -4.213 1.842 1.430 1.00 0.14 H new ATOM 0 HD22 LEU A 32 -4.881 0.258 0.973 1.00 0.14 H new ATOM 0 HD23 LEU A 32 -5.497 1.101 2.414 1.00 0.14 H new ATOM 492 N GLY A 33 -3.163 -0.749 6.093 1.00 0.17 N ATOM 493 CA GLY A 33 -2.604 0.101 7.182 1.00 0.18 C ATOM 494 C GLY A 33 -1.449 -0.633 7.862 1.00 0.16 C ATOM 495 O GLY A 33 -0.567 -0.022 8.435 1.00 0.17 O ATOM 0 H GLY A 33 -4.121 -1.068 6.237 1.00 0.17 H new ATOM 0 HA2 GLY A 33 -2.256 1.050 6.774 1.00 0.18 H new ATOM 0 HA3 GLY A 33 -3.380 0.333 7.911 1.00 0.18 H new ATOM 499 N THR A 34 -1.440 -1.936 7.805 1.00 0.15 N ATOM 500 CA THR A 34 -0.333 -2.695 8.455 1.00 0.12 C ATOM 501 C THR A 34 0.949 -2.532 7.636 1.00 0.07 C ATOM 502 O THR A 34 2.021 -2.351 8.178 1.00 0.06 O ATOM 503 CB THR A 34 -0.709 -4.178 8.540 1.00 0.14 C ATOM 504 OG1 THR A 34 -2.056 -4.299 8.975 1.00 0.17 O ATOM 505 CG2 THR A 34 0.213 -4.890 9.530 1.00 0.16 C ATOM 0 H THR A 34 -2.146 -2.506 7.340 1.00 0.15 H new ATOM 0 HA THR A 34 -0.169 -2.308 9.461 1.00 0.12 H new ATOM 0 HB THR A 34 -0.600 -4.635 7.556 1.00 0.14 H new ATOM 0 HG1 THR A 34 -2.299 -5.247 9.028 1.00 0.17 H new ATOM 0 HG21 THR A 34 -0.059 -5.944 9.587 1.00 0.16 H new ATOM 0 HG22 THR A 34 1.246 -4.799 9.195 1.00 0.16 H new ATOM 0 HG23 THR A 34 0.110 -4.435 10.515 1.00 0.16 H new ATOM 513 N VAL A 35 0.850 -2.589 6.336 1.00 0.06 N ATOM 514 CA VAL A 35 2.069 -2.427 5.496 1.00 0.02 C ATOM 515 C VAL A 35 2.602 -1.005 5.667 1.00 0.03 C ATOM 516 O VAL A 35 3.783 -0.789 5.865 1.00 0.01 O ATOM 517 CB VAL A 35 1.719 -2.669 4.025 1.00 0.06 C ATOM 518 CG1 VAL A 35 2.953 -2.420 3.157 1.00 0.09 C ATOM 519 CG2 VAL A 35 1.261 -4.116 3.843 1.00 0.10 C ATOM 0 H VAL A 35 -0.018 -2.740 5.822 1.00 0.06 H new ATOM 0 HA VAL A 35 2.827 -3.147 5.805 1.00 0.02 H new ATOM 0 HB VAL A 35 0.920 -1.990 3.728 1.00 0.06 H new ATOM 0 HG11 VAL A 35 2.702 -2.593 2.110 1.00 0.09 H new ATOM 0 HG12 VAL A 35 3.286 -1.390 3.285 1.00 0.09 H new ATOM 0 HG13 VAL A 35 3.751 -3.100 3.456 1.00 0.09 H new ATOM 0 HG21 VAL A 35 1.011 -4.290 2.796 1.00 0.10 H new ATOM 0 HG22 VAL A 35 2.062 -4.792 4.142 1.00 0.10 H new ATOM 0 HG23 VAL A 35 0.382 -4.300 4.461 1.00 0.10 H new ATOM 529 N MET A 36 1.736 -0.032 5.603 1.00 0.09 N ATOM 530 CA MET A 36 2.186 1.374 5.768 1.00 0.12 C ATOM 531 C MET A 36 2.840 1.533 7.143 1.00 0.14 C ATOM 532 O MET A 36 3.835 2.214 7.292 1.00 0.15 O ATOM 533 CB MET A 36 0.971 2.300 5.660 1.00 0.13 C ATOM 534 CG MET A 36 0.563 2.468 4.186 1.00 0.11 C ATOM 535 SD MET A 36 1.458 3.870 3.468 1.00 0.69 S ATOM 536 CE MET A 36 0.155 4.429 2.343 1.00 0.24 C ATOM 0 H MET A 36 0.736 -0.152 5.443 1.00 0.09 H new ATOM 0 HA MET A 36 2.909 1.631 4.994 1.00 0.12 H new ATOM 0 HB2 MET A 36 0.139 1.889 6.231 1.00 0.13 H new ATOM 0 HB3 MET A 36 1.205 3.272 6.094 1.00 0.13 H new ATOM 0 HG2 MET A 36 0.786 1.557 3.630 1.00 0.11 H new ATOM 0 HG3 MET A 36 -0.512 2.632 4.111 1.00 0.11 H new ATOM 0 HE1 MET A 36 0.502 5.302 1.790 1.00 0.24 H new ATOM 0 HE2 MET A 36 -0.090 3.630 1.644 1.00 0.24 H new ATOM 0 HE3 MET A 36 -0.733 4.693 2.917 1.00 0.24 H new ATOM 546 N ARG A 37 2.293 0.904 8.151 1.00 0.16 N ATOM 547 CA ARG A 37 2.891 1.021 9.511 1.00 0.17 C ATOM 548 C ARG A 37 4.247 0.315 9.529 1.00 0.24 C ATOM 549 O ARG A 37 5.122 0.651 10.303 1.00 0.34 O ATOM 550 CB ARG A 37 1.951 0.384 10.542 1.00 0.22 C ATOM 551 CG ARG A 37 0.801 1.351 10.848 1.00 0.20 C ATOM 552 CD ARG A 37 -0.186 0.697 11.816 1.00 0.89 C ATOM 553 NE ARG A 37 -0.693 -0.572 11.224 1.00 2.24 N ATOM 554 CZ ARG A 37 -1.313 -1.440 11.977 1.00 2.77 C ATOM 555 NH1 ARG A 37 -1.492 -1.194 13.247 1.00 2.24 N ATOM 556 NH2 ARG A 37 -1.751 -2.555 11.461 1.00 4.14 N ATOM 0 H ARG A 37 1.461 0.317 8.090 1.00 0.16 H new ATOM 0 HA ARG A 37 3.031 2.072 9.762 1.00 0.17 H new ATOM 0 HB2 ARG A 37 1.557 -0.557 10.159 1.00 0.22 H new ATOM 0 HB3 ARG A 37 2.499 0.152 11.455 1.00 0.22 H new ATOM 0 HG2 ARG A 37 1.193 2.271 11.282 1.00 0.20 H new ATOM 0 HG3 ARG A 37 0.290 1.626 9.925 1.00 0.20 H new ATOM 0 HD2 ARG A 37 0.302 0.497 12.770 1.00 0.89 H new ATOM 0 HD3 ARG A 37 -1.016 1.374 12.019 1.00 0.89 H new ATOM 0 HE ARG A 37 -0.556 -0.763 10.231 1.00 2.24 H new ATOM 0 HH11 ARG A 37 -1.147 -0.323 13.651 1.00 2.24 H new ATOM 0 HH12 ARG A 37 -1.976 -1.873 13.835 1.00 2.24 H new ATOM 0 HH21 ARG A 37 -1.609 -2.749 10.470 1.00 4.14 H new ATOM 0 HH22 ARG A 37 -2.235 -3.233 12.049 1.00 4.14 H new ATOM 570 N SER A 38 4.438 -0.653 8.677 1.00 0.21 N ATOM 571 CA SER A 38 5.743 -1.363 8.645 1.00 0.29 C ATOM 572 C SER A 38 6.825 -0.401 8.150 1.00 0.29 C ATOM 573 O SER A 38 7.984 -0.522 8.498 1.00 0.37 O ATOM 574 CB SER A 38 5.653 -2.560 7.701 1.00 0.33 C ATOM 575 OG SER A 38 5.808 -2.112 6.360 1.00 0.25 O ATOM 0 H SER A 38 3.747 -0.982 8.003 1.00 0.21 H new ATOM 0 HA SER A 38 5.993 -1.714 9.646 1.00 0.29 H new ATOM 0 HB2 SER A 38 6.426 -3.289 7.945 1.00 0.33 H new ATOM 0 HB3 SER A 38 4.692 -3.061 7.821 1.00 0.33 H new ATOM 0 HG SER A 38 4.927 -1.925 5.974 1.00 0.25 H new ATOM 581 N LEU A 39 6.458 0.555 7.338 1.00 0.25 N ATOM 582 CA LEU A 39 7.464 1.528 6.818 1.00 0.29 C ATOM 583 C LEU A 39 7.649 2.663 7.828 1.00 0.32 C ATOM 584 O LEU A 39 8.429 3.572 7.618 1.00 0.39 O ATOM 585 CB LEU A 39 6.975 2.099 5.482 1.00 0.26 C ATOM 586 CG LEU A 39 6.712 0.956 4.492 1.00 0.21 C ATOM 587 CD1 LEU A 39 5.923 1.488 3.293 1.00 0.27 C ATOM 588 CD2 LEU A 39 8.042 0.361 3.998 1.00 0.23 C ATOM 0 H LEU A 39 5.503 0.704 7.012 1.00 0.25 H new ATOM 0 HA LEU A 39 8.418 1.022 6.668 1.00 0.29 H new ATOM 0 HB2 LEU A 39 6.063 2.677 5.635 1.00 0.26 H new ATOM 0 HB3 LEU A 39 7.720 2.782 5.074 1.00 0.26 H new ATOM 0 HG LEU A 39 6.139 0.179 4.998 1.00 0.21 H new ATOM 0 HD11 LEU A 39 5.737 0.676 2.591 1.00 0.27 H new ATOM 0 HD12 LEU A 39 4.972 1.897 3.635 1.00 0.27 H new ATOM 0 HD13 LEU A 39 6.497 2.271 2.798 1.00 0.27 H new ATOM 0 HD21 LEU A 39 7.840 -0.449 3.297 1.00 0.23 H new ATOM 0 HD22 LEU A 39 8.625 1.136 3.500 1.00 0.23 H new ATOM 0 HD23 LEU A 39 8.605 -0.027 4.847 1.00 0.23 H new ATOM 600 N GLY A 40 6.951 2.615 8.934 1.00 0.29 N ATOM 601 CA GLY A 40 7.100 3.684 9.970 1.00 0.33 C ATOM 602 C GLY A 40 6.113 4.831 9.718 1.00 0.33 C ATOM 603 O GLY A 40 6.275 5.916 10.243 1.00 0.39 O ATOM 0 H GLY A 40 6.283 1.880 9.166 1.00 0.29 H new ATOM 0 HA2 GLY A 40 6.929 3.263 10.961 1.00 0.33 H new ATOM 0 HA3 GLY A 40 8.120 4.068 9.959 1.00 0.33 H new ATOM 607 N GLN A 41 5.091 4.609 8.931 1.00 0.30 N ATOM 608 CA GLN A 41 4.090 5.694 8.658 1.00 0.34 C ATOM 609 C GLN A 41 2.844 5.456 9.516 1.00 0.32 C ATOM 610 O GLN A 41 2.543 4.339 9.881 1.00 0.43 O ATOM 611 CB GLN A 41 3.705 5.667 7.178 1.00 0.34 C ATOM 612 CG GLN A 41 4.867 6.207 6.343 1.00 0.41 C ATOM 613 CD GLN A 41 4.520 6.111 4.856 1.00 0.85 C ATOM 614 OE1 GLN A 41 4.977 6.909 4.061 1.00 1.14 O ATOM 615 NE2 GLN A 41 3.727 5.161 4.443 1.00 2.39 N ATOM 0 H GLN A 41 4.903 3.722 8.463 1.00 0.30 H new ATOM 0 HA GLN A 41 4.522 6.665 8.902 1.00 0.34 H new ATOM 0 HB2 GLN A 41 3.464 4.649 6.872 1.00 0.34 H new ATOM 0 HB3 GLN A 41 2.812 6.269 7.012 1.00 0.34 H new ATOM 0 HG2 GLN A 41 5.071 7.243 6.613 1.00 0.41 H new ATOM 0 HG3 GLN A 41 5.773 5.639 6.553 1.00 0.41 H new ATOM 0 HE21 GLN A 41 3.343 4.491 5.110 1.00 2.39 H new ATOM 0 HE22 GLN A 41 3.491 5.088 3.453 1.00 2.39 H new ATOM 624 N ASN A 42 2.119 6.496 9.851 1.00 0.20 N ATOM 625 CA ASN A 42 0.895 6.323 10.700 1.00 0.20 C ATOM 626 C ASN A 42 -0.246 7.213 10.177 1.00 0.14 C ATOM 627 O ASN A 42 -0.552 8.223 10.779 1.00 0.17 O ATOM 628 CB ASN A 42 1.223 6.730 12.139 1.00 0.25 C ATOM 629 CG ASN A 42 0.089 6.287 13.065 1.00 0.24 C ATOM 630 OD1 ASN A 42 0.239 5.347 13.821 1.00 1.26 O ATOM 631 ND2 ASN A 42 -1.047 6.930 13.041 1.00 1.48 N ATOM 0 H ASN A 42 2.321 7.457 9.574 1.00 0.20 H new ATOM 0 HA ASN A 42 0.581 5.280 10.663 1.00 0.20 H new ATOM 0 HB2 ASN A 42 2.162 6.274 12.452 1.00 0.25 H new ATOM 0 HB3 ASN A 42 1.357 7.810 12.201 1.00 0.25 H new ATOM 0 HD21 ASN A 42 -1.808 6.644 13.656 1.00 1.48 H new ATOM 0 HD22 ASN A 42 -1.173 7.719 12.407 1.00 1.48 H new ATOM 638 N PRO A 43 -0.858 6.815 9.078 1.00 0.13 N ATOM 639 CA PRO A 43 -1.975 7.583 8.496 1.00 0.14 C ATOM 640 C PRO A 43 -3.212 7.428 9.390 1.00 0.13 C ATOM 641 O PRO A 43 -3.427 6.390 9.982 1.00 0.09 O ATOM 642 CB PRO A 43 -2.209 6.942 7.107 1.00 0.21 C ATOM 643 CG PRO A 43 -1.331 5.657 7.033 1.00 0.25 C ATOM 644 CD PRO A 43 -0.491 5.591 8.332 1.00 0.20 C ATOM 0 HA PRO A 43 -1.769 8.650 8.414 1.00 0.14 H new ATOM 0 HB2 PRO A 43 -3.262 6.696 6.970 1.00 0.21 H new ATOM 0 HB3 PRO A 43 -1.939 7.638 6.313 1.00 0.21 H new ATOM 0 HG2 PRO A 43 -1.957 4.770 6.936 1.00 0.25 H new ATOM 0 HG3 PRO A 43 -0.682 5.686 6.158 1.00 0.25 H new ATOM 0 HD2 PRO A 43 -0.720 4.693 8.906 1.00 0.20 H new ATOM 0 HD3 PRO A 43 0.576 5.566 8.113 1.00 0.20 H new ATOM 652 N THR A 44 -4.036 8.437 9.492 1.00 0.19 N ATOM 653 CA THR A 44 -5.248 8.299 10.347 1.00 0.23 C ATOM 654 C THR A 44 -6.212 7.324 9.677 1.00 0.22 C ATOM 655 O THR A 44 -6.003 6.896 8.560 1.00 0.17 O ATOM 656 CB THR A 44 -5.939 9.654 10.521 1.00 0.31 C ATOM 657 OG1 THR A 44 -6.300 10.166 9.248 1.00 0.26 O ATOM 658 CG2 THR A 44 -4.991 10.630 11.220 1.00 0.42 C ATOM 0 H THR A 44 -3.924 9.338 9.027 1.00 0.19 H new ATOM 0 HA THR A 44 -4.954 7.929 11.329 1.00 0.23 H new ATOM 0 HB THR A 44 -6.835 9.529 11.129 1.00 0.31 H new ATOM 0 HG1 THR A 44 -6.744 11.033 9.358 1.00 0.26 H new ATOM 0 HG21 THR A 44 -5.486 11.593 11.342 1.00 0.42 H new ATOM 0 HG22 THR A 44 -4.719 10.235 12.199 1.00 0.42 H new ATOM 0 HG23 THR A 44 -4.092 10.758 10.618 1.00 0.42 H new ATOM 666 N GLU A 45 -7.264 6.969 10.351 1.00 0.27 N ATOM 667 CA GLU A 45 -8.241 6.021 9.757 1.00 0.28 C ATOM 668 C GLU A 45 -8.902 6.657 8.535 1.00 0.29 C ATOM 669 O GLU A 45 -9.108 6.011 7.526 1.00 0.27 O ATOM 670 CB GLU A 45 -9.307 5.682 10.804 1.00 0.35 C ATOM 671 CG GLU A 45 -8.757 4.643 11.786 1.00 0.29 C ATOM 672 CD GLU A 45 -8.754 3.262 11.126 1.00 1.34 C ATOM 673 OE1 GLU A 45 -7.770 2.939 10.483 1.00 2.52 O ATOM 674 OE2 GLU A 45 -9.736 2.555 11.275 1.00 1.45 O ATOM 0 H GLU A 45 -7.491 7.295 11.291 1.00 0.27 H new ATOM 0 HA GLU A 45 -7.727 5.111 9.447 1.00 0.28 H new ATOM 0 HB2 GLU A 45 -9.602 6.583 11.341 1.00 0.35 H new ATOM 0 HB3 GLU A 45 -10.201 5.296 10.314 1.00 0.35 H new ATOM 0 HG2 GLU A 45 -7.746 4.914 12.089 1.00 0.29 H new ATOM 0 HG3 GLU A 45 -9.366 4.624 12.690 1.00 0.29 H new ATOM 681 N ALA A 46 -9.239 7.913 8.612 1.00 0.34 N ATOM 682 CA ALA A 46 -9.890 8.570 7.444 1.00 0.37 C ATOM 683 C ALA A 46 -8.903 8.619 6.280 1.00 0.34 C ATOM 684 O ALA A 46 -9.275 8.448 5.134 1.00 0.37 O ATOM 685 CB ALA A 46 -10.329 9.987 7.822 1.00 0.44 C ATOM 0 H ALA A 46 -9.094 8.510 9.426 1.00 0.34 H new ATOM 0 HA ALA A 46 -10.770 7.999 7.147 1.00 0.37 H new ATOM 0 HB1 ALA A 46 -10.804 10.462 6.964 1.00 0.44 H new ATOM 0 HB2 ALA A 46 -11.037 9.940 8.649 1.00 0.44 H new ATOM 0 HB3 ALA A 46 -9.458 10.570 8.123 1.00 0.44 H new ATOM 691 N GLU A 47 -7.643 8.829 6.553 1.00 0.29 N ATOM 692 CA GLU A 47 -6.655 8.860 5.442 1.00 0.29 C ATOM 693 C GLU A 47 -6.659 7.490 4.774 1.00 0.23 C ATOM 694 O GLU A 47 -6.552 7.368 3.572 1.00 0.25 O ATOM 695 CB GLU A 47 -5.255 9.152 5.990 1.00 0.27 C ATOM 696 CG GLU A 47 -5.138 10.634 6.349 1.00 0.30 C ATOM 697 CD GLU A 47 -3.758 10.908 6.950 1.00 0.44 C ATOM 698 OE1 GLU A 47 -2.792 10.864 6.206 1.00 1.02 O ATOM 699 OE2 GLU A 47 -3.691 11.155 8.141 1.00 0.38 O ATOM 0 H GLU A 47 -7.261 8.979 7.487 1.00 0.29 H new ATOM 0 HA GLU A 47 -6.920 9.640 4.728 1.00 0.29 H new ATOM 0 HB2 GLU A 47 -5.064 8.539 6.871 1.00 0.27 H new ATOM 0 HB3 GLU A 47 -4.502 8.888 5.248 1.00 0.27 H new ATOM 0 HG2 GLU A 47 -5.287 11.247 5.460 1.00 0.30 H new ATOM 0 HG3 GLU A 47 -5.917 10.909 7.060 1.00 0.30 H new ATOM 706 N LEU A 48 -6.787 6.454 5.556 1.00 0.17 N ATOM 707 CA LEU A 48 -6.806 5.082 4.980 1.00 0.11 C ATOM 708 C LEU A 48 -8.136 4.842 4.254 1.00 0.14 C ATOM 709 O LEU A 48 -8.165 4.326 3.157 1.00 0.10 O ATOM 710 CB LEU A 48 -6.648 4.048 6.111 1.00 0.07 C ATOM 711 CG LEU A 48 -5.164 3.901 6.508 1.00 0.08 C ATOM 712 CD1 LEU A 48 -5.061 3.379 7.948 1.00 0.20 C ATOM 713 CD2 LEU A 48 -4.464 2.900 5.577 1.00 0.39 C ATOM 0 H LEU A 48 -6.879 6.499 6.571 1.00 0.17 H new ATOM 0 HA LEU A 48 -5.984 4.979 4.271 1.00 0.11 H new ATOM 0 HB2 LEU A 48 -7.233 4.356 6.977 1.00 0.07 H new ATOM 0 HB3 LEU A 48 -7.041 3.084 5.788 1.00 0.07 H new ATOM 0 HG LEU A 48 -4.686 4.877 6.427 1.00 0.08 H new ATOM 0 HD11 LEU A 48 -4.011 3.277 8.224 1.00 0.20 H new ATOM 0 HD12 LEU A 48 -5.547 4.081 8.625 1.00 0.20 H new ATOM 0 HD13 LEU A 48 -5.551 2.408 8.019 1.00 0.20 H new ATOM 0 HD21 LEU A 48 -3.418 2.804 5.866 1.00 0.39 H new ATOM 0 HD22 LEU A 48 -4.952 1.928 5.654 1.00 0.39 H new ATOM 0 HD23 LEU A 48 -4.525 3.256 4.549 1.00 0.39 H new ATOM 725 N GLN A 49 -9.238 5.194 4.861 1.00 0.21 N ATOM 726 CA GLN A 49 -10.560 4.959 4.209 1.00 0.25 C ATOM 727 C GLN A 49 -10.715 5.844 2.970 1.00 0.27 C ATOM 728 O GLN A 49 -11.487 5.548 2.079 1.00 0.28 O ATOM 729 CB GLN A 49 -11.680 5.290 5.201 1.00 0.28 C ATOM 730 CG GLN A 49 -11.808 4.167 6.232 1.00 0.27 C ATOM 731 CD GLN A 49 -12.429 2.935 5.574 1.00 0.98 C ATOM 732 OE1 GLN A 49 -11.764 1.938 5.375 1.00 1.85 O ATOM 733 NE2 GLN A 49 -13.686 2.960 5.222 1.00 1.55 N ATOM 0 H GLN A 49 -9.280 5.634 5.780 1.00 0.21 H new ATOM 0 HA GLN A 49 -10.619 3.913 3.907 1.00 0.25 H new ATOM 0 HB2 GLN A 49 -11.467 6.234 5.703 1.00 0.28 H new ATOM 0 HB3 GLN A 49 -12.623 5.417 4.670 1.00 0.28 H new ATOM 0 HG2 GLN A 49 -10.827 3.919 6.638 1.00 0.27 H new ATOM 0 HG3 GLN A 49 -12.426 4.496 7.068 1.00 0.27 H new ATOM 0 HE21 GLN A 49 -14.246 3.796 5.388 1.00 1.55 H new ATOM 0 HE22 GLN A 49 -14.108 2.143 4.781 1.00 1.55 H new ATOM 742 N ASP A 50 -10.000 6.928 2.903 1.00 0.27 N ATOM 743 CA ASP A 50 -10.131 7.823 1.717 1.00 0.29 C ATOM 744 C ASP A 50 -9.481 7.154 0.511 1.00 0.23 C ATOM 745 O ASP A 50 -10.033 7.122 -0.569 1.00 0.26 O ATOM 746 CB ASP A 50 -9.438 9.160 1.998 1.00 0.33 C ATOM 747 CG ASP A 50 -10.312 10.008 2.922 1.00 0.86 C ATOM 748 OD1 ASP A 50 -10.993 9.431 3.756 1.00 2.04 O ATOM 749 OD2 ASP A 50 -10.288 11.219 2.782 1.00 1.45 O ATOM 0 H ASP A 50 -9.334 7.235 3.612 1.00 0.27 H new ATOM 0 HA ASP A 50 -11.186 8.004 1.512 1.00 0.29 H new ATOM 0 HB2 ASP A 50 -8.466 8.987 2.459 1.00 0.33 H new ATOM 0 HB3 ASP A 50 -9.258 9.691 1.063 1.00 0.33 H new ATOM 890 N GLY A 61 -11.969 -5.126 -2.759 1.00 0.18 N ATOM 891 CA GLY A 61 -11.159 -4.769 -1.548 1.00 0.43 C ATOM 892 C GLY A 61 -9.758 -5.409 -1.616 1.00 0.44 C ATOM 893 O GLY A 61 -9.344 -6.075 -0.687 1.00 0.48 O ATOM 0 HA2 GLY A 61 -11.065 -3.686 -1.475 1.00 0.43 H new ATOM 0 HA3 GLY A 61 -11.674 -5.106 -0.648 1.00 0.43 H new ATOM 897 N THR A 62 -9.014 -5.226 -2.692 1.00 0.47 N ATOM 898 CA THR A 62 -7.648 -5.833 -2.779 1.00 0.50 C ATOM 899 C THR A 62 -6.692 -4.828 -3.437 1.00 0.48 C ATOM 900 O THR A 62 -7.116 -3.907 -4.105 1.00 0.50 O ATOM 901 CB THR A 62 -7.715 -7.101 -3.630 1.00 0.59 C ATOM 902 OG1 THR A 62 -8.108 -6.763 -4.953 1.00 0.75 O ATOM 903 CG2 THR A 62 -8.728 -8.075 -3.029 1.00 0.77 C ATOM 0 H THR A 62 -9.298 -4.683 -3.508 1.00 0.47 H new ATOM 0 HA THR A 62 -7.289 -6.081 -1.780 1.00 0.50 H new ATOM 0 HB THR A 62 -6.733 -7.573 -3.651 1.00 0.59 H new ATOM 0 HG1 THR A 62 -8.149 -7.575 -5.500 1.00 0.75 H new ATOM 0 HG21 THR A 62 -8.772 -8.977 -3.639 1.00 0.77 H new ATOM 0 HG22 THR A 62 -8.424 -8.337 -2.016 1.00 0.77 H new ATOM 0 HG23 THR A 62 -9.712 -7.607 -3.003 1.00 0.77 H new ATOM 911 N ILE A 63 -5.401 -4.991 -3.248 1.00 0.43 N ATOM 912 CA ILE A 63 -4.416 -4.041 -3.857 1.00 0.42 C ATOM 913 C ILE A 63 -3.205 -4.830 -4.369 1.00 0.41 C ATOM 914 O ILE A 63 -2.709 -5.715 -3.701 1.00 0.37 O ATOM 915 CB ILE A 63 -3.959 -3.042 -2.777 1.00 0.35 C ATOM 916 CG1 ILE A 63 -5.155 -2.712 -1.871 1.00 0.33 C ATOM 917 CG2 ILE A 63 -3.419 -1.755 -3.426 1.00 0.33 C ATOM 918 CD1 ILE A 63 -4.786 -1.598 -0.889 1.00 0.28 C ATOM 0 H ILE A 63 -4.988 -5.743 -2.697 1.00 0.43 H new ATOM 0 HA ILE A 63 -4.876 -3.504 -4.687 1.00 0.42 H new ATOM 0 HB ILE A 63 -3.158 -3.487 -2.187 1.00 0.35 H new ATOM 0 HG12 ILE A 63 -6.006 -2.403 -2.478 1.00 0.33 H new ATOM 0 HG13 ILE A 63 -5.461 -3.603 -1.323 1.00 0.33 H new ATOM 0 HG21 ILE A 63 -3.101 -1.061 -2.648 1.00 0.33 H new ATOM 0 HG22 ILE A 63 -2.570 -1.998 -4.065 1.00 0.33 H new ATOM 0 HG23 ILE A 63 -4.203 -1.293 -4.026 1.00 0.33 H new ATOM 0 HD11 ILE A 63 -5.643 -1.375 -0.253 1.00 0.28 H new ATOM 0 HD12 ILE A 63 -3.949 -1.921 -0.270 1.00 0.28 H new ATOM 0 HD13 ILE A 63 -4.503 -0.703 -1.443 1.00 0.28 H new ATOM 930 N ASP A 64 -2.721 -4.508 -5.541 1.00 0.46 N ATOM 931 CA ASP A 64 -1.526 -5.220 -6.103 1.00 0.46 C ATOM 932 C ASP A 64 -0.293 -4.310 -5.944 1.00 0.44 C ATOM 933 O ASP A 64 -0.418 -3.137 -5.654 1.00 0.44 O ATOM 934 CB ASP A 64 -1.781 -5.553 -7.581 1.00 0.52 C ATOM 935 CG ASP A 64 -1.877 -4.266 -8.402 1.00 0.58 C ATOM 936 OD1 ASP A 64 -1.722 -3.204 -7.828 1.00 0.45 O ATOM 937 OD2 ASP A 64 -2.104 -4.367 -9.597 1.00 0.76 O ATOM 0 H ASP A 64 -3.103 -3.777 -6.140 1.00 0.46 H new ATOM 0 HA ASP A 64 -1.347 -6.154 -5.570 1.00 0.46 H new ATOM 0 HB2 ASP A 64 -0.975 -6.179 -7.965 1.00 0.52 H new ATOM 0 HB3 ASP A 64 -2.703 -6.125 -7.679 1.00 0.52 H new ATOM 942 N PHE A 65 0.899 -4.841 -6.093 1.00 0.44 N ATOM 943 CA PHE A 65 2.128 -3.997 -5.903 1.00 0.43 C ATOM 944 C PHE A 65 2.178 -2.782 -6.860 1.00 0.45 C ATOM 945 O PHE A 65 2.476 -1.700 -6.398 1.00 0.42 O ATOM 946 CB PHE A 65 3.403 -4.859 -6.023 1.00 0.44 C ATOM 947 CG PHE A 65 4.615 -4.067 -5.557 1.00 0.43 C ATOM 948 CD1 PHE A 65 4.709 -3.632 -4.226 1.00 0.64 C ATOM 949 CD2 PHE A 65 5.648 -3.772 -6.459 1.00 0.79 C ATOM 950 CE1 PHE A 65 5.829 -2.906 -3.803 1.00 0.67 C ATOM 951 CE2 PHE A 65 6.767 -3.047 -6.032 1.00 0.76 C ATOM 952 CZ PHE A 65 6.859 -2.613 -4.708 1.00 0.42 C ATOM 0 H PHE A 65 1.075 -5.816 -6.336 1.00 0.44 H new ATOM 0 HA PHE A 65 2.078 -3.587 -4.894 1.00 0.43 H new ATOM 0 HB2 PHE A 65 3.298 -5.763 -5.424 1.00 0.44 H new ATOM 0 HB3 PHE A 65 3.541 -5.176 -7.057 1.00 0.44 H new ATOM 0 HD1 PHE A 65 3.917 -3.857 -3.527 1.00 0.64 H new ATOM 0 HD2 PHE A 65 5.580 -4.105 -7.484 1.00 0.79 H new ATOM 0 HE1 PHE A 65 5.900 -2.571 -2.779 1.00 0.67 H new ATOM 0 HE2 PHE A 65 7.561 -2.823 -6.729 1.00 0.76 H new ATOM 0 HZ PHE A 65 7.722 -2.052 -4.382 1.00 0.42 H new ATOM 962 N PRO A 66 1.891 -2.929 -8.149 1.00 0.49 N ATOM 963 CA PRO A 66 1.934 -1.755 -9.040 1.00 0.51 C ATOM 964 C PRO A 66 1.093 -0.622 -8.435 1.00 0.51 C ATOM 965 O PRO A 66 1.569 0.479 -8.242 1.00 0.53 O ATOM 966 CB PRO A 66 1.357 -2.248 -10.388 1.00 0.53 C ATOM 967 CG PRO A 66 1.129 -3.781 -10.262 1.00 0.54 C ATOM 968 CD PRO A 66 1.512 -4.195 -8.820 1.00 0.53 C ATOM 0 HA PRO A 66 2.939 -1.356 -9.174 1.00 0.51 H new ATOM 0 HB2 PRO A 66 0.421 -1.738 -10.615 1.00 0.53 H new ATOM 0 HB3 PRO A 66 2.045 -2.028 -11.204 1.00 0.53 H new ATOM 0 HG2 PRO A 66 0.088 -4.031 -10.469 1.00 0.54 H new ATOM 0 HG3 PRO A 66 1.737 -4.319 -10.989 1.00 0.54 H new ATOM 0 HD2 PRO A 66 0.677 -4.677 -8.312 1.00 0.53 H new ATOM 0 HD3 PRO A 66 2.338 -4.906 -8.819 1.00 0.53 H new ATOM 976 N GLU A 67 -0.147 -0.885 -8.126 1.00 0.50 N ATOM 977 CA GLU A 67 -1.004 0.176 -7.530 1.00 0.50 C ATOM 978 C GLU A 67 -0.406 0.618 -6.193 1.00 0.46 C ATOM 979 O GLU A 67 -0.515 1.766 -5.807 1.00 0.46 O ATOM 980 CB GLU A 67 -2.422 -0.359 -7.310 1.00 0.50 C ATOM 981 CG GLU A 67 -3.068 -0.662 -8.662 1.00 0.54 C ATOM 982 CD GLU A 67 -4.365 -1.444 -8.444 1.00 0.55 C ATOM 983 OE1 GLU A 67 -4.300 -2.503 -7.842 1.00 0.57 O ATOM 984 OE2 GLU A 67 -5.400 -0.971 -8.883 1.00 0.64 O ATOM 0 H GLU A 67 -0.602 -1.788 -8.261 1.00 0.50 H new ATOM 0 HA GLU A 67 -1.049 1.027 -8.209 1.00 0.50 H new ATOM 0 HB2 GLU A 67 -2.391 -1.261 -6.699 1.00 0.50 H new ATOM 0 HB3 GLU A 67 -3.018 0.374 -6.766 1.00 0.50 H new ATOM 0 HG2 GLU A 67 -3.276 0.266 -9.194 1.00 0.54 H new ATOM 0 HG3 GLU A 67 -2.383 -1.239 -9.283 1.00 0.54 H new ATOM 991 N PHE A 68 0.233 -0.275 -5.479 1.00 0.44 N ATOM 992 CA PHE A 68 0.835 0.129 -4.178 1.00 0.40 C ATOM 993 C PHE A 68 1.904 1.185 -4.452 1.00 0.41 C ATOM 994 O PHE A 68 2.051 2.136 -3.710 1.00 0.37 O ATOM 995 CB PHE A 68 1.458 -1.082 -3.462 1.00 0.39 C ATOM 996 CG PHE A 68 1.854 -0.679 -2.058 1.00 0.33 C ATOM 997 CD1 PHE A 68 0.905 -0.706 -1.029 1.00 0.29 C ATOM 998 CD2 PHE A 68 3.168 -0.272 -1.788 1.00 0.34 C ATOM 999 CE1 PHE A 68 1.269 -0.328 0.272 1.00 0.24 C ATOM 1000 CE2 PHE A 68 3.528 0.107 -0.488 1.00 0.30 C ATOM 1001 CZ PHE A 68 2.580 0.079 0.540 1.00 0.24 C ATOM 0 H PHE A 68 0.361 -1.253 -5.739 1.00 0.44 H new ATOM 0 HA PHE A 68 0.060 0.535 -3.528 1.00 0.40 H new ATOM 0 HB2 PHE A 68 0.746 -1.907 -3.430 1.00 0.39 H new ATOM 0 HB3 PHE A 68 2.330 -1.436 -4.012 1.00 0.39 H new ATOM 0 HD1 PHE A 68 -0.108 -1.018 -1.237 1.00 0.29 H new ATOM 0 HD2 PHE A 68 3.901 -0.251 -2.580 1.00 0.34 H new ATOM 0 HE1 PHE A 68 0.537 -0.351 1.066 1.00 0.24 H new ATOM 0 HE2 PHE A 68 4.540 0.421 -0.279 1.00 0.30 H new ATOM 0 HZ PHE A 68 2.860 0.372 1.541 1.00 0.24 H new ATOM 1011 N LEU A 69 2.640 1.040 -5.524 1.00 0.47 N ATOM 1012 CA LEU A 69 3.679 2.060 -5.844 1.00 0.48 C ATOM 1013 C LEU A 69 2.986 3.374 -6.208 1.00 0.47 C ATOM 1014 O LEU A 69 3.546 4.443 -6.065 1.00 0.47 O ATOM 1015 CB LEU A 69 4.523 1.599 -7.038 1.00 0.54 C ATOM 1016 CG LEU A 69 5.415 0.412 -6.648 1.00 0.61 C ATOM 1017 CD1 LEU A 69 6.184 -0.052 -7.888 1.00 0.62 C ATOM 1018 CD2 LEU A 69 6.413 0.827 -5.550 1.00 0.64 C ATOM 0 H LEU A 69 2.567 0.267 -6.185 1.00 0.47 H new ATOM 0 HA LEU A 69 4.326 2.196 -4.978 1.00 0.48 H new ATOM 0 HB2 LEU A 69 3.870 1.313 -7.862 1.00 0.54 H new ATOM 0 HB3 LEU A 69 5.141 2.424 -7.392 1.00 0.54 H new ATOM 0 HG LEU A 69 4.793 -0.397 -6.264 1.00 0.61 H new ATOM 0 HD11 LEU A 69 6.822 -0.896 -7.626 1.00 0.62 H new ATOM 0 HD12 LEU A 69 5.478 -0.357 -8.661 1.00 0.62 H new ATOM 0 HD13 LEU A 69 6.799 0.766 -8.262 1.00 0.62 H new ATOM 0 HD21 LEU A 69 7.038 -0.026 -5.285 1.00 0.64 H new ATOM 0 HD22 LEU A 69 7.042 1.637 -5.918 1.00 0.64 H new ATOM 0 HD23 LEU A 69 5.866 1.164 -4.669 1.00 0.64 H new ATOM 1030 N THR A 70 1.768 3.305 -6.677 1.00 0.47 N ATOM 1031 CA THR A 70 1.042 4.547 -7.049 1.00 0.45 C ATOM 1032 C THR A 70 0.595 5.264 -5.775 1.00 0.39 C ATOM 1033 O THR A 70 0.436 6.466 -5.750 1.00 0.31 O ATOM 1034 CB THR A 70 -0.173 4.183 -7.910 1.00 0.46 C ATOM 1035 OG1 THR A 70 0.264 3.519 -9.087 1.00 0.49 O ATOM 1036 CG2 THR A 70 -0.941 5.449 -8.294 1.00 0.49 C ATOM 0 H THR A 70 1.247 2.439 -6.817 1.00 0.47 H new ATOM 0 HA THR A 70 1.694 5.208 -7.620 1.00 0.45 H new ATOM 0 HB THR A 70 -0.831 3.526 -7.341 1.00 0.46 H new ATOM 0 HG1 THR A 70 -0.512 3.284 -9.637 1.00 0.49 H new ATOM 0 HG21 THR A 70 -1.802 5.181 -8.906 1.00 0.49 H new ATOM 0 HG22 THR A 70 -1.281 5.956 -7.391 1.00 0.49 H new ATOM 0 HG23 THR A 70 -0.288 6.114 -8.859 1.00 0.49 H new ATOM 1044 N MET A 71 0.406 4.534 -4.710 1.00 0.43 N ATOM 1045 CA MET A 71 -0.012 5.183 -3.432 1.00 0.39 C ATOM 1046 C MET A 71 1.206 5.858 -2.795 1.00 0.38 C ATOM 1047 O MET A 71 1.140 6.989 -2.354 1.00 0.34 O ATOM 1048 CB MET A 71 -0.577 4.135 -2.454 1.00 0.44 C ATOM 1049 CG MET A 71 -1.917 3.553 -2.981 1.00 0.61 C ATOM 1050 SD MET A 71 -3.179 3.627 -1.672 1.00 0.88 S ATOM 1051 CE MET A 71 -3.727 1.899 -1.730 1.00 0.33 C ATOM 0 H MET A 71 0.522 3.521 -4.668 1.00 0.43 H new ATOM 0 HA MET A 71 -0.787 5.920 -3.645 1.00 0.39 H new ATOM 0 HB2 MET A 71 0.146 3.330 -2.319 1.00 0.44 H new ATOM 0 HB3 MET A 71 -0.733 4.591 -1.476 1.00 0.44 H new ATOM 0 HG2 MET A 71 -2.251 4.116 -3.853 1.00 0.61 H new ATOM 0 HG3 MET A 71 -1.774 2.522 -3.303 1.00 0.61 H new ATOM 0 HE1 MET A 71 -4.511 1.741 -0.989 1.00 0.33 H new ATOM 0 HE2 MET A 71 -4.115 1.674 -2.723 1.00 0.33 H new ATOM 0 HE3 MET A 71 -2.884 1.243 -1.512 1.00 0.33 H new ATOM 1061 N MET A 72 2.316 5.174 -2.747 1.00 0.41 N ATOM 1062 CA MET A 72 3.541 5.769 -2.143 1.00 0.43 C ATOM 1063 C MET A 72 4.033 6.921 -3.023 1.00 0.44 C ATOM 1064 O MET A 72 4.549 7.905 -2.534 1.00 0.45 O ATOM 1065 CB MET A 72 4.632 4.698 -2.042 1.00 0.47 C ATOM 1066 CG MET A 72 4.099 3.498 -1.253 1.00 0.29 C ATOM 1067 SD MET A 72 3.674 4.013 0.431 1.00 0.67 S ATOM 1068 CE MET A 72 5.349 4.411 0.994 1.00 0.52 C ATOM 0 H MET A 72 2.427 4.224 -3.102 1.00 0.41 H new ATOM 0 HA MET A 72 3.311 6.146 -1.146 1.00 0.43 H new ATOM 0 HB2 MET A 72 4.941 4.383 -3.039 1.00 0.47 H new ATOM 0 HB3 MET A 72 5.514 5.108 -1.550 1.00 0.47 H new ATOM 0 HG2 MET A 72 3.221 3.085 -1.750 1.00 0.29 H new ATOM 0 HG3 MET A 72 4.849 2.708 -1.223 1.00 0.29 H new ATOM 0 HE1 MET A 72 5.408 4.287 2.075 1.00 0.52 H new ATOM 0 HE2 MET A 72 6.063 3.743 0.512 1.00 0.52 H new ATOM 0 HE3 MET A 72 5.585 5.443 0.733 1.00 0.52 H new ATOM 1078 N ALA A 73 3.877 6.811 -4.316 1.00 0.46 N ATOM 1079 CA ALA A 73 4.342 7.909 -5.205 1.00 0.48 C ATOM 1080 C ALA A 73 3.465 9.143 -4.984 1.00 0.47 C ATOM 1081 O ALA A 73 3.915 10.264 -5.114 1.00 0.45 O ATOM 1082 CB ALA A 73 4.257 7.464 -6.666 1.00 0.50 C ATOM 0 H ALA A 73 3.451 6.014 -4.789 1.00 0.46 H new ATOM 0 HA ALA A 73 5.378 8.154 -4.971 1.00 0.48 H new ATOM 0 HB1 ALA A 73 4.599 8.272 -7.313 1.00 0.50 H new ATOM 0 HB2 ALA A 73 4.887 6.587 -6.817 1.00 0.50 H new ATOM 0 HB3 ALA A 73 3.224 7.215 -6.911 1.00 0.50 H new ATOM 1222 N GLU A 82 8.220 15.689 -13.166 1.00 0.30 N ATOM 1223 CA GLU A 82 7.589 16.731 -14.009 1.00 0.31 C ATOM 1224 C GLU A 82 7.902 18.116 -13.425 1.00 0.26 C ATOM 1225 O GLU A 82 8.298 19.025 -14.125 1.00 0.25 O ATOM 1226 CB GLU A 82 6.074 16.480 -14.009 1.00 0.28 C ATOM 1227 CG GLU A 82 5.705 15.491 -15.121 1.00 0.65 C ATOM 1228 CD GLU A 82 4.207 15.191 -15.064 1.00 0.60 C ATOM 1229 OE1 GLU A 82 3.450 15.927 -15.674 1.00 1.03 O ATOM 1230 OE2 GLU A 82 3.840 14.228 -14.408 1.00 1.36 O ATOM 0 HA GLU A 82 7.972 16.693 -15.029 1.00 0.31 H new ATOM 0 HB2 GLU A 82 5.763 16.085 -13.042 1.00 0.28 H new ATOM 0 HB3 GLU A 82 5.542 17.420 -14.156 1.00 0.28 H new ATOM 0 HG2 GLU A 82 5.966 15.908 -16.094 1.00 0.65 H new ATOM 0 HG3 GLU A 82 6.275 14.569 -15.006 1.00 0.65 H new ATOM 1237 N GLU A 83 7.728 18.267 -12.147 1.00 0.24 N ATOM 1238 CA GLU A 83 8.011 19.576 -11.491 1.00 0.19 C ATOM 1239 C GLU A 83 9.509 19.877 -11.583 1.00 0.18 C ATOM 1240 O GLU A 83 9.937 21.004 -11.430 1.00 0.14 O ATOM 1241 CB GLU A 83 7.585 19.515 -10.013 1.00 0.14 C ATOM 1242 CG GLU A 83 6.086 19.799 -9.882 1.00 0.66 C ATOM 1243 CD GLU A 83 5.674 19.682 -8.414 1.00 0.66 C ATOM 1244 OE1 GLU A 83 6.089 20.524 -7.635 1.00 1.08 O ATOM 1245 OE2 GLU A 83 4.954 18.750 -8.094 1.00 1.29 O ATOM 0 H GLU A 83 7.398 17.534 -11.519 1.00 0.24 H new ATOM 0 HA GLU A 83 7.451 20.364 -11.994 1.00 0.19 H new ATOM 0 HB2 GLU A 83 7.813 18.532 -9.602 1.00 0.14 H new ATOM 0 HB3 GLU A 83 8.152 20.243 -9.433 1.00 0.14 H new ATOM 0 HG2 GLU A 83 5.860 20.797 -10.256 1.00 0.66 H new ATOM 0 HG3 GLU A 83 5.517 19.095 -10.488 1.00 0.66 H new ATOM 1252 N GLU A 84 10.301 18.875 -11.811 1.00 0.24 N ATOM 1253 CA GLU A 84 11.773 19.086 -11.899 1.00 0.24 C ATOM 1254 C GLU A 84 12.148 19.550 -13.304 1.00 0.25 C ATOM 1255 O GLU A 84 12.958 20.438 -13.485 1.00 0.24 O ATOM 1256 CB GLU A 84 12.493 17.774 -11.584 1.00 0.27 C ATOM 1257 CG GLU A 84 12.274 17.406 -10.112 1.00 0.28 C ATOM 1258 CD GLU A 84 13.167 18.276 -9.225 1.00 1.06 C ATOM 1259 OE1 GLU A 84 14.344 18.388 -9.532 1.00 1.63 O ATOM 1260 OE2 GLU A 84 12.662 18.815 -8.255 1.00 2.05 O ATOM 0 H GLU A 84 9.994 17.911 -11.942 1.00 0.24 H new ATOM 0 HA GLU A 84 12.071 19.849 -11.180 1.00 0.24 H new ATOM 0 HB2 GLU A 84 12.118 16.978 -12.228 1.00 0.27 H new ATOM 0 HB3 GLU A 84 13.559 17.874 -11.789 1.00 0.27 H new ATOM 0 HG2 GLU A 84 11.227 17.549 -9.843 1.00 0.28 H new ATOM 0 HG3 GLU A 84 12.503 16.352 -9.953 1.00 0.28 H new ATOM 1267 N ILE A 85 11.569 18.952 -14.301 1.00 0.26 N ATOM 1268 CA ILE A 85 11.898 19.353 -15.698 1.00 0.27 C ATOM 1269 C ILE A 85 11.203 20.679 -16.038 1.00 0.31 C ATOM 1270 O ILE A 85 11.791 21.547 -16.651 1.00 0.33 O ATOM 1271 CB ILE A 85 11.455 18.252 -16.683 1.00 0.23 C ATOM 1272 CG1 ILE A 85 12.464 17.092 -16.633 1.00 0.21 C ATOM 1273 CG2 ILE A 85 11.396 18.832 -18.109 1.00 0.24 C ATOM 1274 CD1 ILE A 85 12.006 15.959 -17.555 1.00 0.20 C ATOM 0 H ILE A 85 10.882 18.203 -14.213 1.00 0.26 H new ATOM 0 HA ILE A 85 12.976 19.487 -15.785 1.00 0.27 H new ATOM 0 HB ILE A 85 10.467 17.885 -16.405 1.00 0.23 H new ATOM 0 HG12 ILE A 85 13.450 17.443 -16.937 1.00 0.21 H new ATOM 0 HG13 ILE A 85 12.558 16.725 -15.611 1.00 0.21 H new ATOM 0 HG21 ILE A 85 11.083 18.054 -18.805 1.00 0.24 H new ATOM 0 HG22 ILE A 85 10.681 19.654 -18.138 1.00 0.24 H new ATOM 0 HG23 ILE A 85 12.382 19.199 -18.394 1.00 0.24 H new ATOM 0 HD11 ILE A 85 12.726 15.142 -17.513 1.00 0.20 H new ATOM 0 HD12 ILE A 85 11.030 15.599 -17.231 1.00 0.20 H new ATOM 0 HD13 ILE A 85 11.935 16.328 -18.578 1.00 0.20 H new ATOM 1286 N ARG A 86 9.965 20.847 -15.662 1.00 0.33 N ATOM 1287 CA ARG A 86 9.276 22.126 -15.995 1.00 0.37 C ATOM 1288 C ARG A 86 9.950 23.270 -15.235 1.00 0.40 C ATOM 1289 O ARG A 86 10.224 24.314 -15.794 1.00 0.39 O ATOM 1290 CB ARG A 86 7.797 22.041 -15.602 1.00 0.42 C ATOM 1291 CG ARG A 86 7.059 23.275 -16.135 1.00 0.97 C ATOM 1292 CD ARG A 86 5.631 23.302 -15.584 1.00 0.93 C ATOM 1293 NE ARG A 86 5.010 21.943 -15.705 1.00 1.05 N ATOM 1294 CZ ARG A 86 4.904 21.338 -16.859 1.00 2.08 C ATOM 1295 NH1 ARG A 86 5.175 21.971 -17.966 1.00 2.89 N ATOM 1296 NH2 ARG A 86 4.474 20.106 -16.905 1.00 2.73 N ATOM 0 H ARG A 86 9.408 20.166 -15.147 1.00 0.33 H new ATOM 0 HA ARG A 86 9.344 22.308 -17.068 1.00 0.37 H new ATOM 0 HB2 ARG A 86 7.352 21.133 -16.009 1.00 0.42 H new ATOM 0 HB3 ARG A 86 7.700 21.985 -14.518 1.00 0.42 H new ATOM 0 HG2 ARG A 86 7.589 24.182 -15.843 1.00 0.97 H new ATOM 0 HG3 ARG A 86 7.038 23.255 -17.225 1.00 0.97 H new ATOM 0 HD2 ARG A 86 5.641 23.615 -14.540 1.00 0.93 H new ATOM 0 HD3 ARG A 86 5.035 24.033 -16.130 1.00 0.93 H new ATOM 0 HE ARG A 86 4.662 21.479 -14.866 1.00 1.05 H new ATOM 0 HH11 ARG A 86 5.472 22.946 -17.936 1.00 2.89 H new ATOM 0 HH12 ARG A 86 5.090 21.491 -18.862 1.00 2.89 H new ATOM 0 HH21 ARG A 86 4.223 19.621 -16.044 1.00 2.73 H new ATOM 0 HH22 ARG A 86 4.389 19.629 -17.802 1.00 2.73 H new ATOM 1310 N GLU A 87 10.224 23.090 -13.970 1.00 0.44 N ATOM 1311 CA GLU A 87 10.885 24.185 -13.210 1.00 0.48 C ATOM 1312 C GLU A 87 12.268 24.432 -13.806 1.00 0.42 C ATOM 1313 O GLU A 87 12.825 25.502 -13.672 1.00 0.40 O ATOM 1314 CB GLU A 87 11.002 23.821 -11.721 1.00 0.54 C ATOM 1315 CG GLU A 87 9.617 23.871 -11.075 1.00 0.80 C ATOM 1316 CD GLU A 87 9.702 23.326 -9.648 1.00 1.03 C ATOM 1317 OE1 GLU A 87 10.774 22.884 -9.267 1.00 1.39 O ATOM 1318 OE2 GLU A 87 8.694 23.360 -8.962 1.00 1.92 O ATOM 0 H GLU A 87 10.021 22.244 -13.438 1.00 0.44 H new ATOM 0 HA GLU A 87 10.284 25.091 -13.285 1.00 0.48 H new ATOM 0 HB2 GLU A 87 11.431 22.825 -11.612 1.00 0.54 H new ATOM 0 HB3 GLU A 87 11.675 24.515 -11.218 1.00 0.54 H new ATOM 0 HG2 GLU A 87 9.246 24.896 -11.063 1.00 0.80 H new ATOM 0 HG3 GLU A 87 8.910 23.283 -11.659 1.00 0.80 H new ATOM 1325 N ALA A 88 12.813 23.470 -14.504 1.00 0.40 N ATOM 1326 CA ALA A 88 14.133 23.696 -15.142 1.00 0.35 C ATOM 1327 C ALA A 88 13.877 24.482 -16.412 1.00 0.29 C ATOM 1328 O ALA A 88 14.493 25.485 -16.679 1.00 0.30 O ATOM 1329 CB ALA A 88 14.791 22.362 -15.491 1.00 0.35 C ATOM 0 H ALA A 88 12.403 22.549 -14.656 1.00 0.40 H new ATOM 0 HA ALA A 88 14.799 24.233 -14.467 1.00 0.35 H new ATOM 0 HB1 ALA A 88 15.759 22.545 -15.958 1.00 0.35 H new ATOM 0 HB2 ALA A 88 14.932 21.777 -14.582 1.00 0.35 H new ATOM 0 HB3 ALA A 88 14.153 21.811 -16.182 1.00 0.35 H new ATOM 1335 N PHE A 89 12.936 24.051 -17.194 1.00 0.27 N ATOM 1336 CA PHE A 89 12.633 24.806 -18.428 1.00 0.24 C ATOM 1337 C PHE A 89 12.249 26.229 -18.006 1.00 0.26 C ATOM 1338 O PHE A 89 12.417 27.174 -18.752 1.00 0.25 O ATOM 1339 CB PHE A 89 11.484 24.127 -19.191 1.00 0.28 C ATOM 1340 CG PHE A 89 12.032 23.040 -20.102 1.00 0.22 C ATOM 1341 CD1 PHE A 89 12.844 23.380 -21.194 1.00 0.17 C ATOM 1342 CD2 PHE A 89 11.731 21.682 -19.858 1.00 0.25 C ATOM 1343 CE1 PHE A 89 13.339 22.383 -22.026 1.00 0.15 C ATOM 1344 CE2 PHE A 89 12.245 20.684 -20.713 1.00 0.21 C ATOM 1345 CZ PHE A 89 13.051 21.055 -21.799 1.00 0.15 C ATOM 0 H PHE A 89 12.370 23.218 -17.034 1.00 0.27 H new ATOM 0 HA PHE A 89 13.495 24.832 -19.095 1.00 0.24 H new ATOM 0 HB2 PHE A 89 10.773 23.697 -18.486 1.00 0.28 H new ATOM 0 HB3 PHE A 89 10.941 24.866 -19.780 1.00 0.28 H new ATOM 0 HD1 PHE A 89 13.084 24.415 -21.388 1.00 0.17 H new ATOM 0 HD2 PHE A 89 11.109 21.408 -19.019 1.00 0.25 H new ATOM 0 HE1 PHE A 89 13.961 22.654 -22.866 1.00 0.15 H new ATOM 0 HE2 PHE A 89 12.020 19.643 -20.533 1.00 0.21 H new ATOM 0 HZ PHE A 89 13.447 20.298 -22.459 1.00 0.15 H new ATOM 1355 N ARG A 90 11.767 26.395 -16.795 1.00 0.30 N ATOM 1356 CA ARG A 90 11.417 27.762 -16.314 1.00 0.32 C ATOM 1357 C ARG A 90 12.722 28.534 -16.141 1.00 0.25 C ATOM 1358 O ARG A 90 12.868 29.653 -16.594 1.00 0.19 O ATOM 1359 CB ARG A 90 10.690 27.660 -14.969 1.00 0.41 C ATOM 1360 CG ARG A 90 10.152 29.040 -14.559 1.00 0.43 C ATOM 1361 CD ARG A 90 9.784 29.048 -13.057 1.00 0.45 C ATOM 1362 NE ARG A 90 8.457 29.713 -12.859 1.00 0.71 N ATOM 1363 CZ ARG A 90 8.172 30.852 -13.437 1.00 1.39 C ATOM 1364 NH1 ARG A 90 9.080 31.497 -14.116 1.00 2.11 N ATOM 1365 NH2 ARG A 90 6.978 31.361 -13.306 1.00 1.63 N ATOM 0 H ARG A 90 11.603 25.643 -16.125 1.00 0.30 H new ATOM 0 HA ARG A 90 10.764 28.269 -17.024 1.00 0.32 H new ATOM 0 HB2 ARG A 90 9.869 26.947 -15.043 1.00 0.41 H new ATOM 0 HB3 ARG A 90 11.371 27.284 -14.205 1.00 0.41 H new ATOM 0 HG2 ARG A 90 10.902 29.805 -14.761 1.00 0.43 H new ATOM 0 HG3 ARG A 90 9.275 29.288 -15.157 1.00 0.43 H new ATOM 0 HD2 ARG A 90 9.749 28.027 -12.677 1.00 0.45 H new ATOM 0 HD3 ARG A 90 10.552 29.573 -12.489 1.00 0.45 H new ATOM 0 HE ARG A 90 7.760 29.269 -12.261 1.00 0.71 H new ATOM 0 HH11 ARG A 90 10.022 31.114 -14.200 1.00 2.11 H new ATOM 0 HH12 ARG A 90 8.848 32.384 -14.563 1.00 2.11 H new ATOM 0 HH21 ARG A 90 6.273 30.872 -12.755 1.00 1.63 H new ATOM 0 HH22 ARG A 90 6.750 32.248 -13.754 1.00 1.63 H new ATOM 1379 N VAL A 91 13.686 27.919 -15.513 1.00 0.27 N ATOM 1380 CA VAL A 91 15.014 28.578 -15.326 1.00 0.27 C ATOM 1381 C VAL A 91 15.497 29.049 -16.693 1.00 0.18 C ATOM 1382 O VAL A 91 16.400 29.852 -16.813 1.00 0.21 O ATOM 1383 CB VAL A 91 16.012 27.531 -14.758 1.00 0.36 C ATOM 1384 CG1 VAL A 91 17.453 27.821 -15.212 1.00 0.37 C ATOM 1385 CG2 VAL A 91 15.958 27.529 -13.223 1.00 0.46 C ATOM 0 H VAL A 91 13.612 26.982 -15.118 1.00 0.27 H new ATOM 0 HA VAL A 91 14.940 29.421 -14.639 1.00 0.27 H new ATOM 0 HB VAL A 91 15.718 26.554 -15.142 1.00 0.36 H new ATOM 0 HG11 VAL A 91 18.124 27.069 -14.796 1.00 0.37 H new ATOM 0 HG12 VAL A 91 17.505 27.791 -16.300 1.00 0.37 H new ATOM 0 HG13 VAL A 91 17.753 28.809 -14.862 1.00 0.37 H new ATOM 0 HG21 VAL A 91 16.661 26.792 -12.835 1.00 0.46 H new ATOM 0 HG22 VAL A 91 16.225 28.517 -12.848 1.00 0.46 H new ATOM 0 HG23 VAL A 91 14.950 27.277 -12.895 1.00 0.46 H new ATOM 1395 N PHE A 92 14.935 28.492 -17.725 1.00 0.14 N ATOM 1396 CA PHE A 92 15.384 28.812 -19.106 1.00 0.12 C ATOM 1397 C PHE A 92 14.467 29.831 -19.788 1.00 0.21 C ATOM 1398 O PHE A 92 14.804 30.396 -20.806 1.00 0.31 O ATOM 1399 CB PHE A 92 15.433 27.475 -19.853 1.00 0.11 C ATOM 1400 CG PHE A 92 16.816 26.907 -19.716 1.00 0.12 C ATOM 1401 CD1 PHE A 92 17.164 26.086 -18.625 1.00 0.18 C ATOM 1402 CD2 PHE A 92 17.756 27.240 -20.675 1.00 0.16 C ATOM 1403 CE1 PHE A 92 18.464 25.607 -18.506 1.00 0.26 C ATOM 1404 CE2 PHE A 92 19.067 26.749 -20.562 1.00 0.23 C ATOM 1405 CZ PHE A 92 19.416 25.933 -19.470 1.00 0.28 C ATOM 0 H PHE A 92 14.172 27.818 -17.670 1.00 0.14 H new ATOM 0 HA PHE A 92 16.364 29.288 -19.101 1.00 0.12 H new ATOM 0 HB2 PHE A 92 14.697 26.784 -19.443 1.00 0.11 H new ATOM 0 HB3 PHE A 92 15.184 27.619 -20.904 1.00 0.11 H new ATOM 0 HD1 PHE A 92 16.423 25.829 -17.883 1.00 0.18 H new ATOM 0 HD2 PHE A 92 17.483 27.874 -21.506 1.00 0.16 H new ATOM 0 HE1 PHE A 92 18.736 24.983 -17.667 1.00 0.26 H new ATOM 0 HE2 PHE A 92 19.805 26.997 -21.311 1.00 0.23 H new ATOM 0 HZ PHE A 92 20.425 25.558 -19.379 1.00 0.28 H new ATOM 1415 N ASP A 93 13.355 30.104 -19.207 1.00 0.24 N ATOM 1416 CA ASP A 93 12.426 31.129 -19.781 1.00 0.38 C ATOM 1417 C ASP A 93 12.782 32.495 -19.180 1.00 0.50 C ATOM 1418 O ASP A 93 12.035 33.066 -18.410 1.00 0.58 O ATOM 1419 CB ASP A 93 10.976 30.770 -19.429 1.00 0.44 C ATOM 1420 CG ASP A 93 10.039 31.849 -19.974 1.00 0.56 C ATOM 1421 OD1 ASP A 93 10.497 32.666 -20.757 1.00 1.46 O ATOM 1422 OD2 ASP A 93 8.877 31.839 -19.605 1.00 0.60 O ATOM 0 H ASP A 93 13.030 29.664 -18.346 1.00 0.24 H new ATOM 0 HA ASP A 93 12.526 31.159 -20.866 1.00 0.38 H new ATOM 0 HB2 ASP A 93 10.717 29.800 -19.853 1.00 0.44 H new ATOM 0 HB3 ASP A 93 10.863 30.686 -18.348 1.00 0.44 H new ATOM 1489 N TYR A 99 8.209 30.170 -23.823 1.00 0.09 N ATOM 1490 CA TYR A 99 8.869 29.581 -25.027 1.00 0.13 C ATOM 1491 C TYR A 99 10.366 29.908 -25.026 1.00 0.14 C ATOM 1492 O TYR A 99 10.788 30.964 -24.594 1.00 0.12 O ATOM 1493 CB TYR A 99 8.231 30.180 -26.280 1.00 0.15 C ATOM 1494 CG TYR A 99 6.768 29.813 -26.329 1.00 0.09 C ATOM 1495 CD1 TYR A 99 5.849 30.496 -25.521 1.00 0.86 C ATOM 1496 CD2 TYR A 99 6.327 28.794 -27.181 1.00 0.73 C ATOM 1497 CE1 TYR A 99 4.491 30.159 -25.565 1.00 0.96 C ATOM 1498 CE2 TYR A 99 4.967 28.457 -27.225 1.00 0.62 C ATOM 1499 CZ TYR A 99 4.049 29.139 -26.417 1.00 0.23 C ATOM 1500 OH TYR A 99 2.711 28.809 -26.461 1.00 0.34 O ATOM 0 HA TYR A 99 8.741 28.499 -25.013 1.00 0.13 H new ATOM 0 HB2 TYR A 99 8.344 31.264 -26.275 1.00 0.15 H new ATOM 0 HB3 TYR A 99 8.739 29.811 -27.171 1.00 0.15 H new ATOM 0 HD1 TYR A 99 6.189 31.283 -24.864 1.00 0.86 H new ATOM 0 HD2 TYR A 99 7.034 28.267 -27.804 1.00 0.73 H new ATOM 0 HE1 TYR A 99 3.784 30.686 -24.942 1.00 0.96 H new ATOM 0 HE2 TYR A 99 4.627 27.671 -27.883 1.00 0.62 H new ATOM 0 HH TYR A 99 2.574 28.082 -27.104 1.00 0.34 H new ATOM 1510 N ILE A 100 11.161 29.014 -25.550 1.00 0.18 N ATOM 1511 CA ILE A 100 12.638 29.248 -25.648 1.00 0.21 C ATOM 1512 C ILE A 100 13.102 28.700 -27.000 1.00 0.21 C ATOM 1513 O ILE A 100 12.381 27.977 -27.659 1.00 0.18 O ATOM 1514 CB ILE A 100 13.414 28.531 -24.517 1.00 0.24 C ATOM 1515 CG1 ILE A 100 13.130 27.019 -24.568 1.00 0.33 C ATOM 1516 CG2 ILE A 100 13.035 29.096 -23.126 1.00 0.14 C ATOM 1517 CD1 ILE A 100 13.710 26.332 -23.329 1.00 0.28 C ATOM 0 H ILE A 100 10.848 28.117 -25.921 1.00 0.18 H new ATOM 0 HA ILE A 100 12.836 30.316 -25.553 1.00 0.21 H new ATOM 0 HB ILE A 100 14.479 28.707 -24.671 1.00 0.24 H new ATOM 0 HG12 ILE A 100 12.055 26.845 -24.620 1.00 0.33 H new ATOM 0 HG13 ILE A 100 13.567 26.589 -25.469 1.00 0.33 H new ATOM 0 HG21 ILE A 100 13.598 28.571 -22.354 1.00 0.14 H new ATOM 0 HG22 ILE A 100 13.273 30.159 -23.088 1.00 0.14 H new ATOM 0 HG23 ILE A 100 11.968 28.956 -22.955 1.00 0.14 H new ATOM 0 HD11 ILE A 100 13.503 25.263 -23.376 1.00 0.28 H new ATOM 0 HD12 ILE A 100 14.788 26.492 -23.295 1.00 0.28 H new ATOM 0 HD13 ILE A 100 13.253 26.751 -22.433 1.00 0.28 H new ATOM 1529 N SER A 101 14.290 29.025 -27.422 1.00 0.24 N ATOM 1530 CA SER A 101 14.770 28.499 -28.735 1.00 0.23 C ATOM 1531 C SER A 101 15.190 27.033 -28.570 1.00 0.24 C ATOM 1532 O SER A 101 15.780 26.656 -27.577 1.00 0.29 O ATOM 1533 CB SER A 101 15.953 29.333 -29.226 1.00 0.26 C ATOM 1534 OG SER A 101 17.038 29.194 -28.318 1.00 0.32 O ATOM 0 H SER A 101 14.946 29.626 -26.923 1.00 0.24 H new ATOM 0 HA SER A 101 13.968 28.563 -29.470 1.00 0.23 H new ATOM 0 HB2 SER A 101 16.254 29.007 -30.222 1.00 0.26 H new ATOM 0 HB3 SER A 101 15.664 30.381 -29.307 1.00 0.26 H new ATOM 0 HG SER A 101 16.844 29.694 -27.498 1.00 0.32 H new ATOM 1540 N ALA A 102 14.876 26.206 -29.537 1.00 0.20 N ATOM 1541 CA ALA A 102 15.234 24.754 -29.457 1.00 0.21 C ATOM 1542 C ALA A 102 16.634 24.573 -28.865 1.00 0.24 C ATOM 1543 O ALA A 102 16.907 23.607 -28.190 1.00 0.25 O ATOM 1544 CB ALA A 102 15.194 24.151 -30.865 1.00 0.19 C ATOM 0 H ALA A 102 14.382 26.477 -30.387 1.00 0.20 H new ATOM 0 HA ALA A 102 14.517 24.249 -28.810 1.00 0.21 H new ATOM 0 HB1 ALA A 102 15.454 23.094 -30.815 1.00 0.19 H new ATOM 0 HB2 ALA A 102 14.192 24.260 -31.279 1.00 0.19 H new ATOM 0 HB3 ALA A 102 15.908 24.670 -31.504 1.00 0.19 H new ATOM 1550 N ALA A 103 17.522 25.491 -29.109 1.00 0.25 N ATOM 1551 CA ALA A 103 18.893 25.347 -28.544 1.00 0.28 C ATOM 1552 C ALA A 103 18.789 25.349 -27.025 1.00 0.23 C ATOM 1553 O ALA A 103 19.209 24.426 -26.357 1.00 0.27 O ATOM 1554 CB ALA A 103 19.770 26.515 -29.005 1.00 0.31 C ATOM 0 H ALA A 103 17.363 26.328 -29.669 1.00 0.25 H new ATOM 0 HA ALA A 103 19.343 24.416 -28.888 1.00 0.28 H new ATOM 0 HB1 ALA A 103 20.771 26.405 -28.589 1.00 0.31 H new ATOM 0 HB2 ALA A 103 19.828 26.519 -30.093 1.00 0.31 H new ATOM 0 HB3 ALA A 103 19.336 27.454 -28.661 1.00 0.31 H new ATOM 1560 N GLU A 104 18.212 26.374 -26.485 1.00 0.17 N ATOM 1561 CA GLU A 104 18.046 26.448 -25.011 1.00 0.13 C ATOM 1562 C GLU A 104 17.265 25.213 -24.545 1.00 0.09 C ATOM 1563 O GLU A 104 17.442 24.736 -23.442 1.00 0.08 O ATOM 1564 CB GLU A 104 17.272 27.727 -24.662 1.00 0.14 C ATOM 1565 CG GLU A 104 18.235 28.919 -24.603 1.00 0.58 C ATOM 1566 CD GLU A 104 17.434 30.220 -24.526 1.00 0.46 C ATOM 1567 OE1 GLU A 104 16.623 30.448 -25.406 1.00 0.38 O ATOM 1568 OE2 GLU A 104 17.647 30.966 -23.582 1.00 0.52 O ATOM 0 H GLU A 104 17.844 27.172 -27.002 1.00 0.17 H new ATOM 0 HA GLU A 104 19.016 26.472 -24.515 1.00 0.13 H new ATOM 0 HB2 GLU A 104 16.499 27.910 -25.408 1.00 0.14 H new ATOM 0 HB3 GLU A 104 16.768 27.607 -23.703 1.00 0.14 H new ATOM 0 HG2 GLU A 104 18.888 28.830 -23.735 1.00 0.58 H new ATOM 0 HG3 GLU A 104 18.876 28.926 -25.485 1.00 0.58 H new ATOM 1575 N LEU A 105 16.410 24.685 -25.385 1.00 0.11 N ATOM 1576 CA LEU A 105 15.636 23.474 -24.996 1.00 0.15 C ATOM 1577 C LEU A 105 16.585 22.283 -24.953 1.00 0.20 C ATOM 1578 O LEU A 105 16.612 21.529 -24.001 1.00 0.20 O ATOM 1579 CB LEU A 105 14.529 23.203 -26.027 1.00 0.19 C ATOM 1580 CG LEU A 105 13.639 21.991 -25.584 1.00 0.12 C ATOM 1581 CD1 LEU A 105 12.246 22.424 -25.073 1.00 0.15 C ATOM 1582 CD2 LEU A 105 13.432 21.038 -26.763 1.00 0.14 C ATOM 0 H LEU A 105 16.217 25.042 -26.321 1.00 0.11 H new ATOM 0 HA LEU A 105 15.179 23.631 -24.019 1.00 0.15 H new ATOM 0 HB2 LEU A 105 13.909 24.092 -26.143 1.00 0.19 H new ATOM 0 HB3 LEU A 105 14.975 22.996 -27.000 1.00 0.19 H new ATOM 0 HG LEU A 105 14.170 21.504 -24.766 1.00 0.12 H new ATOM 0 HD11 LEU A 105 11.675 21.542 -24.781 1.00 0.15 H new ATOM 0 HD12 LEU A 105 12.363 23.082 -24.212 1.00 0.15 H new ATOM 0 HD13 LEU A 105 11.716 22.953 -25.865 1.00 0.15 H new ATOM 0 HD21 LEU A 105 12.813 20.198 -26.448 1.00 0.14 H new ATOM 0 HD22 LEU A 105 12.937 21.568 -27.577 1.00 0.14 H new ATOM 0 HD23 LEU A 105 14.398 20.668 -27.106 1.00 0.14 H new ATOM 1594 N ARG A 106 17.377 22.115 -25.973 1.00 0.25 N ATOM 1595 CA ARG A 106 18.334 20.984 -25.977 1.00 0.31 C ATOM 1596 C ARG A 106 19.302 21.190 -24.817 1.00 0.30 C ATOM 1597 O ARG A 106 19.813 20.249 -24.244 1.00 0.37 O ATOM 1598 CB ARG A 106 19.107 20.955 -27.305 1.00 0.35 C ATOM 1599 CG ARG A 106 18.272 20.247 -28.387 1.00 0.68 C ATOM 1600 CD ARG A 106 18.854 20.524 -29.799 1.00 0.79 C ATOM 1601 NE ARG A 106 19.012 19.239 -30.561 1.00 1.33 N ATOM 1602 CZ ARG A 106 19.700 18.233 -30.083 1.00 1.52 C ATOM 1603 NH1 ARG A 106 20.351 18.355 -28.960 1.00 1.65 N ATOM 1604 NH2 ARG A 106 19.758 17.111 -30.749 1.00 2.39 N ATOM 0 H ARG A 106 17.401 22.711 -26.800 1.00 0.25 H new ATOM 0 HA ARG A 106 17.805 20.037 -25.869 1.00 0.31 H new ATOM 0 HB2 ARG A 106 19.340 21.972 -27.622 1.00 0.35 H new ATOM 0 HB3 ARG A 106 20.057 20.437 -27.171 1.00 0.35 H new ATOM 0 HG2 ARG A 106 18.258 19.174 -28.198 1.00 0.68 H new ATOM 0 HG3 ARG A 106 17.239 20.592 -28.340 1.00 0.68 H new ATOM 0 HD2 ARG A 106 18.195 21.199 -30.345 1.00 0.79 H new ATOM 0 HD3 ARG A 106 19.819 21.023 -29.710 1.00 0.79 H new ATOM 0 HE ARG A 106 18.571 19.148 -31.476 1.00 1.33 H new ATOM 0 HH11 ARG A 106 20.326 19.238 -28.449 1.00 1.65 H new ATOM 0 HH12 ARG A 106 20.885 17.568 -28.592 1.00 1.65 H new ATOM 0 HH21 ARG A 106 19.268 17.020 -31.639 1.00 2.39 H new ATOM 0 HH22 ARG A 106 20.293 16.325 -30.379 1.00 2.39 H new ATOM 1618 N HIS A 107 19.545 22.422 -24.465 1.00 0.21 N ATOM 1619 CA HIS A 107 20.468 22.707 -23.343 1.00 0.19 C ATOM 1620 C HIS A 107 19.772 22.365 -22.022 1.00 0.14 C ATOM 1621 O HIS A 107 20.352 21.752 -21.147 1.00 0.08 O ATOM 1622 CB HIS A 107 20.846 24.192 -23.386 1.00 0.20 C ATOM 1623 CG HIS A 107 22.154 24.400 -22.678 1.00 0.19 C ATOM 1624 ND1 HIS A 107 23.321 23.766 -23.073 1.00 0.18 N ATOM 1625 CD2 HIS A 107 22.490 25.164 -21.598 1.00 0.37 C ATOM 1626 CE1 HIS A 107 24.297 24.159 -22.239 1.00 0.15 C ATOM 1627 NE2 HIS A 107 23.846 25.016 -21.318 1.00 0.27 N ATOM 0 H HIS A 107 19.139 23.244 -24.912 1.00 0.21 H new ATOM 0 HA HIS A 107 21.373 22.105 -23.426 1.00 0.19 H new ATOM 0 HB2 HIS A 107 20.923 24.528 -24.420 1.00 0.20 H new ATOM 0 HB3 HIS A 107 20.066 24.790 -22.914 1.00 0.20 H new ATOM 0 HD2 HIS A 107 21.806 25.790 -21.044 1.00 0.37 H new ATOM 0 HE1 HIS A 107 25.321 23.824 -22.304 1.00 0.15 H new ATOM 0 HE2 HIS A 107 24.379 25.464 -20.573 1.00 0.27 H new ATOM 1635 N VAL A 108 18.525 22.732 -21.874 1.00 0.15 N ATOM 1636 CA VAL A 108 17.801 22.398 -20.616 1.00 0.11 C ATOM 1637 C VAL A 108 17.882 20.885 -20.416 1.00 0.14 C ATOM 1638 O VAL A 108 17.972 20.391 -19.310 1.00 0.13 O ATOM 1639 CB VAL A 108 16.311 22.758 -20.745 1.00 0.12 C ATOM 1640 CG1 VAL A 108 15.547 22.238 -19.505 1.00 0.12 C ATOM 1641 CG2 VAL A 108 16.134 24.282 -20.876 1.00 0.11 C ATOM 0 H VAL A 108 17.981 23.246 -22.567 1.00 0.15 H new ATOM 0 HA VAL A 108 18.247 22.950 -19.788 1.00 0.11 H new ATOM 0 HB VAL A 108 15.908 22.288 -21.642 1.00 0.12 H new ATOM 0 HG11 VAL A 108 14.491 22.492 -19.595 1.00 0.12 H new ATOM 0 HG12 VAL A 108 15.655 21.155 -19.439 1.00 0.12 H new ATOM 0 HG13 VAL A 108 15.956 22.699 -18.606 1.00 0.12 H new ATOM 0 HG21 VAL A 108 15.074 24.519 -20.966 1.00 0.11 H new ATOM 0 HG22 VAL A 108 16.541 24.773 -19.992 1.00 0.11 H new ATOM 0 HG23 VAL A 108 16.661 24.635 -21.762 1.00 0.11 H new ATOM 1651 N MET A 109 17.792 20.149 -21.500 1.00 0.21 N ATOM 1652 CA MET A 109 17.800 18.664 -21.403 1.00 0.26 C ATOM 1653 C MET A 109 19.218 18.121 -21.142 1.00 0.26 C ATOM 1654 O MET A 109 19.374 17.070 -20.553 1.00 0.31 O ATOM 1655 CB MET A 109 17.255 18.071 -22.710 1.00 0.32 C ATOM 1656 CG MET A 109 15.833 18.589 -22.959 1.00 0.23 C ATOM 1657 SD MET A 109 15.398 18.334 -24.698 1.00 0.25 S ATOM 1658 CE MET A 109 14.732 16.661 -24.522 1.00 0.27 C ATOM 0 H MET A 109 17.713 20.519 -22.447 1.00 0.21 H new ATOM 0 HA MET A 109 17.170 18.372 -20.563 1.00 0.26 H new ATOM 0 HB2 MET A 109 17.903 18.344 -23.543 1.00 0.32 H new ATOM 0 HB3 MET A 109 17.251 16.982 -22.653 1.00 0.32 H new ATOM 0 HG2 MET A 109 15.126 18.067 -22.315 1.00 0.23 H new ATOM 0 HG3 MET A 109 15.770 19.648 -22.708 1.00 0.23 H new ATOM 0 HE1 MET A 109 14.529 16.245 -25.509 1.00 0.27 H new ATOM 0 HE2 MET A 109 15.458 16.033 -24.005 1.00 0.27 H new ATOM 0 HE3 MET A 109 13.807 16.696 -23.946 1.00 0.27 H new ATOM 1668 N THR A 110 20.254 18.798 -21.584 1.00 0.22 N ATOM 1669 CA THR A 110 21.626 18.275 -21.360 1.00 0.21 C ATOM 1670 C THR A 110 22.002 18.424 -19.881 1.00 0.31 C ATOM 1671 O THR A 110 22.589 17.540 -19.292 1.00 0.51 O ATOM 1672 CB THR A 110 22.603 19.064 -22.263 1.00 0.38 C ATOM 1673 OG1 THR A 110 21.853 19.846 -23.174 1.00 0.47 O ATOM 1674 CG2 THR A 110 23.491 18.104 -23.055 1.00 0.67 C ATOM 0 H THR A 110 20.202 19.684 -22.086 1.00 0.22 H new ATOM 0 HA THR A 110 21.678 17.216 -21.614 1.00 0.21 H new ATOM 0 HB THR A 110 23.232 19.698 -21.638 1.00 0.38 H new ATOM 0 HG1 THR A 110 21.205 19.276 -23.638 1.00 0.47 H new ATOM 0 HG21 THR A 110 24.173 18.675 -23.685 1.00 0.67 H new ATOM 0 HG22 THR A 110 24.066 17.487 -22.365 1.00 0.67 H new ATOM 0 HG23 THR A 110 22.868 17.464 -23.680 1.00 0.67 H new ATOM 1682 N ASN A 111 21.663 19.527 -19.271 1.00 0.53 N ATOM 1683 CA ASN A 111 22.003 19.699 -17.833 1.00 0.96 C ATOM 1684 C ASN A 111 21.312 18.602 -17.044 1.00 1.22 C ATOM 1685 O ASN A 111 21.937 17.774 -16.412 1.00 1.90 O ATOM 1686 CB ASN A 111 21.521 21.065 -17.344 1.00 1.30 C ATOM 1687 CG ASN A 111 22.360 22.167 -17.992 1.00 0.80 C ATOM 1688 OD1 ASN A 111 23.186 21.898 -18.842 1.00 2.14 O ATOM 1689 ND2 ASN A 111 22.181 23.407 -17.627 1.00 1.17 N ATOM 0 H ASN A 111 21.170 20.309 -19.702 1.00 0.53 H new ATOM 0 HA ASN A 111 23.083 19.640 -17.696 1.00 0.96 H new ATOM 0 HB2 ASN A 111 20.469 21.201 -17.593 1.00 1.30 H new ATOM 0 HB3 ASN A 111 21.602 21.123 -16.259 1.00 1.30 H new ATOM 0 HD21 ASN A 111 22.734 24.150 -18.055 1.00 1.17 H new ATOM 0 HD22 ASN A 111 21.488 23.634 -16.914 1.00 1.17 H new ATOM 1696 N LEU A 112 20.025 18.599 -17.089 1.00 0.87 N ATOM 1697 CA LEU A 112 19.247 17.563 -16.359 1.00 1.18 C ATOM 1698 C LEU A 112 19.628 16.183 -16.861 1.00 1.88 C ATOM 1699 O LEU A 112 19.376 15.197 -16.215 1.00 2.56 O ATOM 1700 CB LEU A 112 17.747 17.766 -16.622 1.00 0.78 C ATOM 1701 CG LEU A 112 17.141 18.739 -15.587 1.00 0.87 C ATOM 1702 CD1 LEU A 112 15.900 19.442 -16.177 1.00 0.90 C ATOM 1703 CD2 LEU A 112 16.741 17.963 -14.323 1.00 1.48 C ATOM 0 H LEU A 112 19.463 19.276 -17.605 1.00 0.87 H new ATOM 0 HA LEU A 112 19.464 17.650 -15.294 1.00 1.18 H new ATOM 0 HB2 LEU A 112 17.598 18.158 -17.628 1.00 0.78 H new ATOM 0 HB3 LEU A 112 17.231 16.807 -16.574 1.00 0.78 H new ATOM 0 HG LEU A 112 17.886 19.493 -15.332 1.00 0.87 H new ATOM 0 HD11 LEU A 112 15.483 20.125 -15.437 1.00 0.90 H new ATOM 0 HD12 LEU A 112 16.188 20.002 -17.067 1.00 0.90 H new ATOM 0 HD13 LEU A 112 15.152 18.696 -16.445 1.00 0.90 H new ATOM 0 HD21 LEU A 112 16.314 18.651 -13.594 1.00 1.48 H new ATOM 0 HD22 LEU A 112 16.003 17.203 -14.581 1.00 1.48 H new ATOM 0 HD23 LEU A 112 17.622 17.483 -13.896 1.00 1.48 H new ATOM 1715 N GLY A 113 20.186 16.146 -18.024 1.00 1.93 N ATOM 1716 CA GLY A 113 20.583 14.865 -18.690 1.00 2.89 C ATOM 1717 C GLY A 113 21.026 13.800 -17.682 1.00 1.37 C ATOM 1718 O GLY A 113 22.189 13.457 -17.611 1.00 1.71 O ATOM 0 H GLY A 113 20.397 16.980 -18.572 1.00 1.93 H new ATOM 0 HA2 GLY A 113 19.743 14.485 -19.272 1.00 2.89 H new ATOM 0 HA3 GLY A 113 21.395 15.059 -19.391 1.00 2.89 H new ATOM 1722 N GLU A 114 20.113 13.266 -16.910 1.00 1.29 N ATOM 1723 CA GLU A 114 20.487 12.216 -15.919 1.00 1.96 C ATOM 1724 C GLU A 114 20.278 10.848 -16.548 1.00 2.30 C ATOM 1725 O GLU A 114 20.844 9.857 -16.133 1.00 4.02 O ATOM 1726 CB GLU A 114 19.637 12.367 -14.640 1.00 3.79 C ATOM 1727 CG GLU A 114 20.266 13.414 -13.717 1.00 4.34 C ATOM 1728 CD GLU A 114 19.374 13.620 -12.492 1.00 5.24 C ATOM 1729 OE1 GLU A 114 18.255 14.077 -12.669 1.00 4.82 O ATOM 1730 OE2 GLU A 114 19.822 13.318 -11.398 1.00 6.47 O ATOM 0 H GLU A 114 19.124 13.514 -16.925 1.00 1.29 H new ATOM 0 HA GLU A 114 21.535 12.325 -15.641 1.00 1.96 H new ATOM 0 HB2 GLU A 114 18.621 12.663 -14.901 1.00 3.79 H new ATOM 0 HB3 GLU A 114 19.567 11.409 -14.124 1.00 3.79 H new ATOM 0 HG2 GLU A 114 21.259 13.090 -13.406 1.00 4.34 H new ATOM 0 HG3 GLU A 114 20.391 14.356 -14.251 1.00 4.34 H new ATOM 1737 N LYS A 115 19.476 10.811 -17.554 1.00 1.27 N ATOM 1738 CA LYS A 115 19.187 9.536 -18.273 1.00 2.24 C ATOM 1739 C LYS A 115 18.672 9.840 -19.676 1.00 2.08 C ATOM 1740 O LYS A 115 17.644 9.346 -20.093 1.00 3.00 O ATOM 1741 CB LYS A 115 18.098 8.772 -17.543 1.00 3.20 C ATOM 1742 CG LYS A 115 18.592 8.327 -16.164 1.00 3.69 C ATOM 1743 CD LYS A 115 17.637 7.272 -15.571 1.00 4.60 C ATOM 1744 CE LYS A 115 18.027 5.871 -16.059 1.00 4.71 C ATOM 1745 NZ LYS A 115 17.108 4.864 -15.457 1.00 5.84 N ATOM 0 H LYS A 115 18.990 11.626 -17.927 1.00 1.27 H new ATOM 0 HA LYS A 115 20.105 8.950 -18.319 1.00 2.24 H new ATOM 0 HB2 LYS A 115 17.214 9.401 -17.434 1.00 3.20 H new ATOM 0 HB3 LYS A 115 17.800 7.902 -18.128 1.00 3.20 H new ATOM 0 HG2 LYS A 115 19.597 7.913 -16.246 1.00 3.69 H new ATOM 0 HG3 LYS A 115 18.655 9.187 -15.497 1.00 3.69 H new ATOM 0 HD2 LYS A 115 17.673 7.309 -14.482 1.00 4.60 H new ATOM 0 HD3 LYS A 115 16.611 7.494 -15.863 1.00 4.60 H new ATOM 0 HE2 LYS A 115 17.973 5.825 -17.147 1.00 4.71 H new ATOM 0 HE3 LYS A 115 19.058 5.651 -15.781 1.00 4.71 H new ATOM 0 HZ1 LYS A 115 17.371 3.913 -15.787 1.00 5.84 H new ATOM 0 HZ2 LYS A 115 17.181 4.903 -14.420 1.00 5.84 H new ATOM 0 HZ3 LYS A 115 16.130 5.072 -15.743 1.00 5.84 H new ATOM 1759 N LEU A 116 19.373 10.656 -20.397 1.00 1.09 N ATOM 1760 CA LEU A 116 18.940 11.026 -21.784 1.00 0.88 C ATOM 1761 C LEU A 116 20.144 11.020 -22.726 1.00 0.89 C ATOM 1762 O LEU A 116 21.208 11.504 -22.391 1.00 1.05 O ATOM 1763 CB LEU A 116 18.335 12.437 -21.775 1.00 0.82 C ATOM 1764 CG LEU A 116 17.149 12.511 -20.806 1.00 1.52 C ATOM 1765 CD1 LEU A 116 16.770 13.976 -20.601 1.00 2.13 C ATOM 1766 CD2 LEU A 116 15.943 11.748 -21.376 1.00 1.56 C ATOM 0 H LEU A 116 20.241 11.094 -20.090 1.00 1.09 H new ATOM 0 HA LEU A 116 18.200 10.302 -22.125 1.00 0.88 H new ATOM 0 HB2 LEU A 116 19.095 13.162 -21.484 1.00 0.82 H new ATOM 0 HB3 LEU A 116 18.008 12.704 -22.780 1.00 0.82 H new ATOM 0 HG LEU A 116 17.433 12.058 -19.856 1.00 1.52 H new ATOM 0 HD11 LEU A 116 15.927 14.041 -19.913 1.00 2.13 H new ATOM 0 HD12 LEU A 116 17.620 14.517 -20.185 1.00 2.13 H new ATOM 0 HD13 LEU A 116 16.492 14.417 -21.558 1.00 2.13 H new ATOM 0 HD21 LEU A 116 15.109 11.810 -20.676 1.00 1.56 H new ATOM 0 HD22 LEU A 116 15.651 12.189 -22.329 1.00 1.56 H new ATOM 0 HD23 LEU A 116 16.212 10.703 -21.528 1.00 1.56 H new ATOM 1778 N THR A 117 19.978 10.484 -23.909 1.00 0.86 N ATOM 1779 CA THR A 117 21.098 10.449 -24.901 1.00 0.85 C ATOM 1780 C THR A 117 20.835 11.497 -25.986 1.00 0.70 C ATOM 1781 O THR A 117 19.705 11.772 -26.334 1.00 0.60 O ATOM 1782 CB THR A 117 21.166 9.061 -25.546 1.00 0.94 C ATOM 1783 OG1 THR A 117 19.872 8.685 -25.994 1.00 1.00 O ATOM 1784 CG2 THR A 117 21.669 8.044 -24.522 1.00 0.99 C ATOM 0 H THR A 117 19.106 10.065 -24.234 1.00 0.86 H new ATOM 0 HA THR A 117 22.041 10.662 -24.398 1.00 0.85 H new ATOM 0 HB THR A 117 21.851 9.087 -26.394 1.00 0.94 H new ATOM 0 HG1 THR A 117 19.784 7.710 -25.957 1.00 1.00 H new ATOM 0 HG21 THR A 117 21.717 7.057 -24.982 1.00 0.99 H new ATOM 0 HG22 THR A 117 22.663 8.333 -24.180 1.00 0.99 H new ATOM 0 HG23 THR A 117 20.987 8.015 -23.672 1.00 0.99 H new ATOM 1792 N ASP A 118 21.869 12.092 -26.512 1.00 0.77 N ATOM 1793 CA ASP A 118 21.671 13.132 -27.567 1.00 0.75 C ATOM 1794 C ASP A 118 20.904 12.540 -28.756 1.00 0.63 C ATOM 1795 O ASP A 118 20.266 13.253 -29.508 1.00 0.65 O ATOM 1796 CB ASP A 118 23.035 13.638 -28.041 1.00 1.01 C ATOM 1797 CG ASP A 118 23.774 14.282 -26.863 1.00 1.16 C ATOM 1798 OD1 ASP A 118 23.352 14.070 -25.739 1.00 2.08 O ATOM 1799 OD2 ASP A 118 24.747 14.976 -27.107 1.00 0.90 O ATOM 0 H ASP A 118 22.840 11.906 -26.260 1.00 0.77 H new ATOM 0 HA ASP A 118 21.095 13.958 -27.150 1.00 0.75 H new ATOM 0 HB2 ASP A 118 23.621 12.813 -28.446 1.00 1.01 H new ATOM 0 HB3 ASP A 118 22.907 14.363 -28.845 1.00 1.01 H new ATOM 1804 N GLU A 119 20.951 11.247 -28.935 1.00 0.59 N ATOM 1805 CA GLU A 119 20.213 10.632 -30.080 1.00 0.52 C ATOM 1806 C GLU A 119 18.717 10.605 -29.758 1.00 0.36 C ATOM 1807 O GLU A 119 17.897 11.040 -30.541 1.00 0.48 O ATOM 1808 CB GLU A 119 20.715 9.200 -30.337 1.00 0.47 C ATOM 1809 CG GLU A 119 22.020 9.240 -31.139 1.00 0.55 C ATOM 1810 CD GLU A 119 22.697 7.870 -31.086 1.00 0.88 C ATOM 1811 OE1 GLU A 119 22.157 6.990 -30.432 1.00 1.66 O ATOM 1812 OE2 GLU A 119 23.740 7.721 -31.700 1.00 1.55 O ATOM 0 H GLU A 119 21.464 10.593 -28.344 1.00 0.59 H new ATOM 0 HA GLU A 119 20.388 11.226 -30.977 1.00 0.52 H new ATOM 0 HB2 GLU A 119 20.876 8.686 -29.389 1.00 0.47 H new ATOM 0 HB3 GLU A 119 19.960 8.633 -30.882 1.00 0.47 H new ATOM 0 HG2 GLU A 119 21.815 9.516 -32.173 1.00 0.55 H new ATOM 0 HG3 GLU A 119 22.685 10.002 -30.732 1.00 0.55 H new ATOM 1819 N GLU A 120 18.352 10.103 -28.609 1.00 0.17 N ATOM 1820 CA GLU A 120 16.910 10.059 -28.243 1.00 0.10 C ATOM 1821 C GLU A 120 16.311 11.453 -28.423 1.00 0.17 C ATOM 1822 O GLU A 120 15.200 11.611 -28.891 1.00 0.34 O ATOM 1823 CB GLU A 120 16.761 9.616 -26.784 1.00 0.21 C ATOM 1824 CG GLU A 120 16.953 8.100 -26.682 1.00 0.30 C ATOM 1825 CD GLU A 120 16.828 7.666 -25.220 1.00 0.69 C ATOM 1826 OE1 GLU A 120 17.315 8.389 -24.365 1.00 1.08 O ATOM 1827 OE2 GLU A 120 16.249 6.619 -24.980 1.00 0.88 O ATOM 0 H GLU A 120 18.990 9.722 -27.910 1.00 0.17 H new ATOM 0 HA GLU A 120 16.388 9.348 -28.884 1.00 0.10 H new ATOM 0 HB2 GLU A 120 17.495 10.128 -26.162 1.00 0.21 H new ATOM 0 HB3 GLU A 120 15.776 9.894 -26.408 1.00 0.21 H new ATOM 0 HG2 GLU A 120 16.208 7.587 -27.290 1.00 0.30 H new ATOM 0 HG3 GLU A 120 17.931 7.820 -27.073 1.00 0.30 H new ATOM 1834 N VAL A 121 17.046 12.466 -28.056 1.00 0.19 N ATOM 1835 CA VAL A 121 16.534 13.856 -28.205 1.00 0.27 C ATOM 1836 C VAL A 121 16.194 14.110 -29.669 1.00 0.30 C ATOM 1837 O VAL A 121 15.176 14.692 -29.992 1.00 0.33 O ATOM 1838 CB VAL A 121 17.607 14.841 -27.740 1.00 0.31 C ATOM 1839 CG1 VAL A 121 17.152 16.271 -28.029 1.00 0.38 C ATOM 1840 CG2 VAL A 121 17.833 14.669 -26.236 1.00 0.41 C ATOM 0 H VAL A 121 17.982 12.390 -27.658 1.00 0.19 H new ATOM 0 HA VAL A 121 15.638 13.990 -27.599 1.00 0.27 H new ATOM 0 HB VAL A 121 18.537 14.645 -28.274 1.00 0.31 H new ATOM 0 HG11 VAL A 121 17.919 16.971 -27.697 1.00 0.38 H new ATOM 0 HG12 VAL A 121 16.990 16.392 -29.100 1.00 0.38 H new ATOM 0 HG13 VAL A 121 16.222 16.472 -27.497 1.00 0.38 H new ATOM 0 HG21 VAL A 121 18.598 15.370 -25.900 1.00 0.41 H new ATOM 0 HG22 VAL A 121 16.902 14.865 -25.703 1.00 0.41 H new ATOM 0 HG23 VAL A 121 18.160 13.650 -26.031 1.00 0.41 H new ATOM 1850 N ASP A 122 17.034 13.675 -30.558 1.00 0.29 N ATOM 1851 CA ASP A 122 16.757 13.884 -32.006 1.00 0.31 C ATOM 1852 C ASP A 122 15.406 13.248 -32.354 1.00 0.29 C ATOM 1853 O ASP A 122 14.663 13.756 -33.171 1.00 0.29 O ATOM 1854 CB ASP A 122 17.867 13.241 -32.844 1.00 0.35 C ATOM 1855 CG ASP A 122 19.198 13.931 -32.536 1.00 0.45 C ATOM 1856 OD1 ASP A 122 19.225 14.742 -31.624 1.00 1.40 O ATOM 1857 OD2 ASP A 122 20.167 13.638 -33.215 1.00 1.03 O ATOM 0 H ASP A 122 17.902 13.183 -30.348 1.00 0.29 H new ATOM 0 HA ASP A 122 16.725 14.952 -32.223 1.00 0.31 H new ATOM 0 HB2 ASP A 122 17.936 12.176 -32.621 1.00 0.35 H new ATOM 0 HB3 ASP A 122 17.635 13.330 -33.905 1.00 0.35 H new ATOM 1862 N GLU A 123 15.073 12.148 -31.729 1.00 0.30 N ATOM 1863 CA GLU A 123 13.761 11.499 -32.017 1.00 0.30 C ATOM 1864 C GLU A 123 12.661 12.349 -31.377 1.00 0.27 C ATOM 1865 O GLU A 123 11.580 12.498 -31.912 1.00 0.27 O ATOM 1866 CB GLU A 123 13.746 10.073 -31.423 1.00 0.31 C ATOM 1867 CG GLU A 123 14.168 9.050 -32.485 1.00 1.64 C ATOM 1868 CD GLU A 123 14.052 7.639 -31.907 1.00 1.74 C ATOM 1869 OE1 GLU A 123 12.979 7.066 -32.004 1.00 1.43 O ATOM 1870 OE2 GLU A 123 15.039 7.152 -31.379 1.00 2.75 O ATOM 0 H GLU A 123 15.651 11.674 -31.035 1.00 0.30 H new ATOM 0 HA GLU A 123 13.598 11.426 -33.092 1.00 0.30 H new ATOM 0 HB2 GLU A 123 14.421 10.020 -30.569 1.00 0.31 H new ATOM 0 HB3 GLU A 123 12.748 9.835 -31.055 1.00 0.31 H new ATOM 0 HG2 GLU A 123 13.537 9.146 -33.369 1.00 1.64 H new ATOM 0 HG3 GLU A 123 15.193 9.241 -32.803 1.00 1.64 H new ATOM 1877 N MET A 124 12.937 12.913 -30.239 1.00 0.27 N ATOM 1878 CA MET A 124 11.927 13.766 -29.557 1.00 0.23 C ATOM 1879 C MET A 124 11.703 15.043 -30.379 1.00 0.17 C ATOM 1880 O MET A 124 10.636 15.624 -30.363 1.00 0.15 O ATOM 1881 CB MET A 124 12.420 14.088 -28.157 1.00 0.21 C ATOM 1882 CG MET A 124 12.528 12.791 -27.347 1.00 0.25 C ATOM 1883 SD MET A 124 13.332 13.134 -25.758 1.00 0.61 S ATOM 1884 CE MET A 124 13.153 11.487 -25.018 1.00 0.34 C ATOM 0 H MET A 124 13.826 12.820 -29.747 1.00 0.27 H new ATOM 0 HA MET A 124 10.974 13.243 -29.477 1.00 0.23 H new ATOM 0 HB2 MET A 124 13.390 14.582 -28.205 1.00 0.21 H new ATOM 0 HB3 MET A 124 11.734 14.780 -27.668 1.00 0.21 H new ATOM 0 HG2 MET A 124 11.536 12.370 -27.181 1.00 0.25 H new ATOM 0 HG3 MET A 124 13.101 12.049 -27.903 1.00 0.25 H new ATOM 0 HE1 MET A 124 13.592 11.487 -24.020 1.00 0.34 H new ATOM 0 HE2 MET A 124 12.095 11.232 -24.949 1.00 0.34 H new ATOM 0 HE3 MET A 124 13.664 10.751 -25.639 1.00 0.34 H new ATOM 1894 N ILE A 125 12.694 15.464 -31.120 1.00 0.15 N ATOM 1895 CA ILE A 125 12.544 16.685 -31.972 1.00 0.09 C ATOM 1896 C ILE A 125 11.710 16.341 -33.222 1.00 0.07 C ATOM 1897 O ILE A 125 11.053 17.189 -33.788 1.00 0.08 O ATOM 1898 CB ILE A 125 13.943 17.162 -32.392 1.00 0.09 C ATOM 1899 CG1 ILE A 125 14.619 17.838 -31.191 1.00 0.16 C ATOM 1900 CG2 ILE A 125 13.837 18.155 -33.559 1.00 0.07 C ATOM 1901 CD1 ILE A 125 16.078 18.164 -31.519 1.00 0.19 C ATOM 0 H ILE A 125 13.607 15.013 -31.173 1.00 0.15 H new ATOM 0 HA ILE A 125 12.036 17.473 -31.415 1.00 0.09 H new ATOM 0 HB ILE A 125 14.536 16.308 -32.718 1.00 0.09 H new ATOM 0 HG12 ILE A 125 14.085 18.752 -30.930 1.00 0.16 H new ATOM 0 HG13 ILE A 125 14.572 17.182 -30.322 1.00 0.16 H new ATOM 0 HG21 ILE A 125 14.835 18.486 -33.847 1.00 0.07 H new ATOM 0 HG22 ILE A 125 13.356 17.669 -34.408 1.00 0.07 H new ATOM 0 HG23 ILE A 125 13.244 19.016 -33.251 1.00 0.07 H new ATOM 0 HD11 ILE A 125 16.546 18.643 -30.659 1.00 0.19 H new ATOM 0 HD12 ILE A 125 16.612 17.244 -31.757 1.00 0.19 H new ATOM 0 HD13 ILE A 125 16.117 18.838 -32.375 1.00 0.19 H new ATOM 1913 N ARG A 126 11.745 15.109 -33.661 1.00 0.11 N ATOM 1914 CA ARG A 126 10.972 14.716 -34.879 1.00 0.13 C ATOM 1915 C ARG A 126 9.475 15.002 -34.676 1.00 0.13 C ATOM 1916 O ARG A 126 8.846 15.640 -35.497 1.00 0.13 O ATOM 1917 CB ARG A 126 11.183 13.217 -35.165 1.00 0.17 C ATOM 1918 CG ARG A 126 12.454 13.011 -36.012 1.00 0.24 C ATOM 1919 CD ARG A 126 12.727 11.503 -36.217 1.00 1.04 C ATOM 1920 NE ARG A 126 14.182 11.212 -36.006 1.00 1.62 N ATOM 1921 CZ ARG A 126 15.112 11.951 -36.558 1.00 1.50 C ATOM 1922 NH1 ARG A 126 14.794 12.896 -37.398 1.00 1.04 N ATOM 1923 NH2 ARG A 126 16.368 11.718 -36.292 1.00 2.32 N ATOM 0 H ARG A 126 12.278 14.355 -33.227 1.00 0.11 H new ATOM 0 HA ARG A 126 11.328 15.300 -35.727 1.00 0.13 H new ATOM 0 HB2 ARG A 126 11.270 12.669 -34.227 1.00 0.17 H new ATOM 0 HB3 ARG A 126 10.317 12.814 -35.691 1.00 0.17 H new ATOM 0 HG2 ARG A 126 12.338 13.501 -36.979 1.00 0.24 H new ATOM 0 HG3 ARG A 126 13.307 13.478 -35.519 1.00 0.24 H new ATOM 0 HD2 ARG A 126 12.126 10.918 -35.521 1.00 1.04 H new ATOM 0 HD3 ARG A 126 12.430 11.205 -37.222 1.00 1.04 H new ATOM 0 HE ARG A 126 14.454 10.422 -35.420 1.00 1.62 H new ATOM 0 HH11 ARG A 126 13.815 13.064 -37.630 1.00 1.04 H new ATOM 0 HH12 ARG A 126 15.524 13.467 -37.824 1.00 1.04 H new ATOM 0 HH21 ARG A 126 16.623 10.962 -35.656 1.00 2.32 H new ATOM 0 HH22 ARG A 126 17.095 12.291 -36.720 1.00 2.32 H new ATOM 1937 N GLU A 127 8.889 14.522 -33.608 1.00 0.16 N ATOM 1938 CA GLU A 127 7.426 14.762 -33.403 1.00 0.17 C ATOM 1939 C GLU A 127 7.182 16.180 -32.852 1.00 0.13 C ATOM 1940 O GLU A 127 6.099 16.719 -32.983 1.00 0.12 O ATOM 1941 CB GLU A 127 6.860 13.715 -32.424 1.00 0.21 C ATOM 1942 CG GLU A 127 6.599 12.398 -33.165 1.00 0.24 C ATOM 1943 CD GLU A 127 6.044 11.363 -32.183 1.00 0.88 C ATOM 1944 OE1 GLU A 127 6.774 10.981 -31.282 1.00 2.05 O ATOM 1945 OE2 GLU A 127 4.901 10.973 -32.346 1.00 1.20 O ATOM 0 H GLU A 127 9.352 13.981 -32.877 1.00 0.16 H new ATOM 0 HA GLU A 127 6.919 14.672 -34.364 1.00 0.17 H new ATOM 0 HB2 GLU A 127 7.563 13.550 -31.607 1.00 0.21 H new ATOM 0 HB3 GLU A 127 5.935 14.082 -31.979 1.00 0.21 H new ATOM 0 HG2 GLU A 127 5.892 12.560 -33.978 1.00 0.24 H new ATOM 0 HG3 GLU A 127 7.522 12.031 -33.614 1.00 0.24 H new ATOM 1952 N ALA A 128 8.175 16.811 -32.280 1.00 0.12 N ATOM 1953 CA ALA A 128 8.006 18.191 -31.777 1.00 0.10 C ATOM 1954 C ALA A 128 8.387 19.126 -32.901 1.00 0.09 C ATOM 1955 O ALA A 128 9.466 19.669 -32.901 1.00 0.11 O ATOM 1956 CB ALA A 128 8.931 18.464 -30.600 1.00 0.10 C ATOM 0 H ALA A 128 9.105 16.416 -32.142 1.00 0.12 H new ATOM 0 HA ALA A 128 6.976 18.334 -31.449 1.00 0.10 H new ATOM 0 HB1 ALA A 128 8.784 19.486 -30.252 1.00 0.10 H new ATOM 0 HB2 ALA A 128 8.705 17.769 -29.791 1.00 0.10 H new ATOM 0 HB3 ALA A 128 9.967 18.332 -30.913 1.00 0.10 H new ATOM 1962 N ASP A 129 7.522 19.285 -33.856 1.00 0.09 N ATOM 1963 CA ASP A 129 7.800 20.170 -35.032 1.00 0.10 C ATOM 1964 C ASP A 129 8.534 21.425 -34.548 1.00 0.06 C ATOM 1965 O ASP A 129 7.949 22.454 -34.268 1.00 0.05 O ATOM 1966 CB ASP A 129 6.464 20.552 -35.679 1.00 0.12 C ATOM 1967 CG ASP A 129 5.404 20.744 -34.594 1.00 1.25 C ATOM 1968 OD1 ASP A 129 5.490 21.724 -33.875 1.00 2.34 O ATOM 1969 OD2 ASP A 129 4.523 19.904 -34.500 1.00 1.75 O ATOM 0 H ASP A 129 6.609 18.830 -33.878 1.00 0.09 H new ATOM 0 HA ASP A 129 8.423 19.656 -35.764 1.00 0.10 H new ATOM 0 HB2 ASP A 129 6.578 21.469 -36.257 1.00 0.12 H new ATOM 0 HB3 ASP A 129 6.150 19.774 -36.375 1.00 0.12 H new ATOM 1974 N ILE A 130 9.815 21.290 -34.390 1.00 0.11 N ATOM 1975 CA ILE A 130 10.659 22.390 -33.852 1.00 0.15 C ATOM 1976 C ILE A 130 10.988 23.425 -34.924 1.00 0.27 C ATOM 1977 O ILE A 130 11.676 24.399 -34.691 1.00 0.50 O ATOM 1978 CB ILE A 130 11.930 21.716 -33.298 1.00 0.12 C ATOM 1979 CG1 ILE A 130 11.661 21.114 -31.861 1.00 0.15 C ATOM 1980 CG2 ILE A 130 13.118 22.678 -33.323 1.00 0.11 C ATOM 1981 CD1 ILE A 130 12.748 21.517 -30.845 1.00 0.17 C ATOM 0 H ILE A 130 10.329 20.439 -34.617 1.00 0.11 H new ATOM 0 HA ILE A 130 10.136 22.942 -33.071 1.00 0.15 H new ATOM 0 HB ILE A 130 12.195 20.881 -33.947 1.00 0.12 H new ATOM 0 HG12 ILE A 130 10.689 21.453 -31.503 1.00 0.15 H new ATOM 0 HG13 ILE A 130 11.614 20.027 -31.928 1.00 0.15 H new ATOM 0 HG21 ILE A 130 14.001 22.176 -32.927 1.00 0.11 H new ATOM 0 HG22 ILE A 130 13.309 22.993 -34.349 1.00 0.11 H new ATOM 0 HG23 ILE A 130 12.892 23.551 -32.711 1.00 0.11 H new ATOM 0 HD11 ILE A 130 12.518 21.079 -29.874 1.00 0.17 H new ATOM 0 HD12 ILE A 130 13.718 21.154 -31.186 1.00 0.17 H new ATOM 0 HD13 ILE A 130 12.778 22.603 -30.756 1.00 0.17 H new ATOM 2024 N GLY A 134 10.245 28.500 -35.024 1.00 0.38 N ATOM 2025 CA GLY A 134 11.632 28.854 -34.589 1.00 0.26 C ATOM 2026 C GLY A 134 11.769 28.638 -33.081 1.00 0.22 C ATOM 2027 O GLY A 134 12.830 28.319 -32.583 1.00 0.27 O ATOM 0 HA2 GLY A 134 12.359 28.240 -35.122 1.00 0.26 H new ATOM 0 HA3 GLY A 134 11.848 29.893 -34.839 1.00 0.26 H new ATOM 2031 N GLN A 135 10.695 28.807 -32.354 1.00 0.14 N ATOM 2032 CA GLN A 135 10.722 28.612 -30.869 1.00 0.10 C ATOM 2033 C GLN A 135 9.671 27.568 -30.494 1.00 0.09 C ATOM 2034 O GLN A 135 8.714 27.359 -31.214 1.00 0.09 O ATOM 2035 CB GLN A 135 10.397 29.941 -30.178 1.00 0.09 C ATOM 2036 CG GLN A 135 11.202 31.074 -30.834 1.00 0.26 C ATOM 2037 CD GLN A 135 11.317 32.256 -29.866 1.00 0.37 C ATOM 2038 OE1 GLN A 135 12.060 32.200 -28.908 1.00 0.86 O ATOM 2039 NE2 GLN A 135 10.607 33.329 -30.079 1.00 0.52 N ATOM 0 H GLN A 135 9.786 29.076 -32.730 1.00 0.14 H new ATOM 0 HA GLN A 135 11.709 28.274 -30.552 1.00 0.10 H new ATOM 0 HB2 GLN A 135 9.330 30.150 -30.252 1.00 0.09 H new ATOM 0 HB3 GLN A 135 10.637 29.879 -29.116 1.00 0.09 H new ATOM 0 HG2 GLN A 135 12.195 30.717 -31.106 1.00 0.26 H new ATOM 0 HG3 GLN A 135 10.715 31.393 -31.755 1.00 0.26 H new ATOM 0 HE21 GLN A 135 9.983 33.376 -30.884 1.00 0.52 H new ATOM 0 HE22 GLN A 135 10.676 34.121 -29.440 1.00 0.52 H new ATOM 2048 N VAL A 136 9.845 26.891 -29.388 1.00 0.11 N ATOM 2049 CA VAL A 136 8.868 25.839 -28.987 1.00 0.13 C ATOM 2050 C VAL A 136 8.676 25.886 -27.467 1.00 0.20 C ATOM 2051 O VAL A 136 9.588 26.197 -26.728 1.00 0.24 O ATOM 2052 CB VAL A 136 9.454 24.468 -29.368 1.00 0.12 C ATOM 2053 CG1 VAL A 136 8.347 23.428 -29.596 1.00 0.11 C ATOM 2054 CG2 VAL A 136 10.294 24.594 -30.639 1.00 0.10 C ATOM 0 H VAL A 136 10.625 27.023 -28.744 1.00 0.11 H new ATOM 0 HA VAL A 136 7.912 26.001 -29.485 1.00 0.13 H new ATOM 0 HB VAL A 136 10.078 24.133 -28.540 1.00 0.12 H new ATOM 0 HG11 VAL A 136 8.796 22.471 -29.863 1.00 0.11 H new ATOM 0 HG12 VAL A 136 7.763 23.312 -28.683 1.00 0.11 H new ATOM 0 HG13 VAL A 136 7.695 23.761 -30.404 1.00 0.11 H new ATOM 0 HG21 VAL A 136 10.705 23.619 -30.902 1.00 0.10 H new ATOM 0 HG22 VAL A 136 9.668 24.955 -31.455 1.00 0.10 H new ATOM 0 HG23 VAL A 136 11.109 25.297 -30.468 1.00 0.10 H new ATOM 2064 N ASN A 137 7.517 25.532 -26.995 1.00 0.25 N ATOM 2065 CA ASN A 137 7.299 25.503 -25.524 1.00 0.34 C ATOM 2066 C ASN A 137 7.853 24.170 -25.020 1.00 0.32 C ATOM 2067 O ASN A 137 8.275 23.337 -25.799 1.00 0.70 O ATOM 2068 CB ASN A 137 5.802 25.637 -25.208 1.00 0.44 C ATOM 2069 CG ASN A 137 5.503 25.138 -23.790 1.00 1.40 C ATOM 2070 OD1 ASN A 137 4.835 24.138 -23.611 1.00 1.42 O ATOM 2071 ND2 ASN A 137 5.972 25.799 -22.766 1.00 2.49 N ATOM 0 H ASN A 137 6.713 25.262 -27.561 1.00 0.25 H new ATOM 0 HA ASN A 137 7.805 26.334 -25.032 1.00 0.34 H new ATOM 0 HB2 ASN A 137 5.496 26.679 -25.305 1.00 0.44 H new ATOM 0 HB3 ASN A 137 5.220 25.065 -25.931 1.00 0.44 H new ATOM 0 HD21 ASN A 137 5.778 25.476 -21.818 1.00 2.49 H new ATOM 0 HD22 ASN A 137 6.533 26.638 -22.914 1.00 2.49 H new ATOM 2078 N TYR A 138 7.898 23.976 -23.732 1.00 0.33 N ATOM 2079 CA TYR A 138 8.479 22.705 -23.171 1.00 0.30 C ATOM 2080 C TYR A 138 7.387 21.733 -22.661 1.00 0.27 C ATOM 2081 O TYR A 138 7.609 20.544 -22.649 1.00 0.23 O ATOM 2082 CB TYR A 138 9.446 23.070 -22.021 1.00 0.37 C ATOM 2083 CG TYR A 138 9.007 24.369 -21.382 1.00 0.16 C ATOM 2084 CD1 TYR A 138 9.278 25.591 -22.015 1.00 0.94 C ATOM 2085 CD2 TYR A 138 8.319 24.349 -20.163 1.00 0.99 C ATOM 2086 CE1 TYR A 138 8.859 26.788 -21.425 1.00 1.15 C ATOM 2087 CE2 TYR A 138 7.906 25.544 -19.572 1.00 0.79 C ATOM 2088 CZ TYR A 138 8.174 26.765 -20.202 1.00 0.32 C ATOM 2089 OH TYR A 138 7.763 27.945 -19.617 1.00 0.52 O ATOM 0 H TYR A 138 7.559 24.639 -23.035 1.00 0.33 H new ATOM 0 HA TYR A 138 9.010 22.189 -23.971 1.00 0.30 H new ATOM 0 HB2 TYR A 138 9.460 22.273 -21.277 1.00 0.37 H new ATOM 0 HB3 TYR A 138 10.462 23.166 -22.403 1.00 0.37 H new ATOM 0 HD1 TYR A 138 9.809 25.608 -22.955 1.00 0.94 H new ATOM 0 HD2 TYR A 138 8.107 23.407 -19.679 1.00 0.99 H new ATOM 0 HE1 TYR A 138 9.063 27.730 -21.912 1.00 1.15 H new ATOM 0 HE2 TYR A 138 7.380 25.527 -18.629 1.00 0.79 H new ATOM 0 HH TYR A 138 7.302 27.749 -18.774 1.00 0.52 H new ATOM 2099 N GLU A 139 6.237 22.208 -22.223 1.00 0.33 N ATOM 2100 CA GLU A 139 5.183 21.274 -21.696 1.00 0.32 C ATOM 2101 C GLU A 139 5.110 19.997 -22.544 1.00 0.25 C ATOM 2102 O GLU A 139 5.017 18.904 -22.023 1.00 0.27 O ATOM 2103 CB GLU A 139 3.813 22.004 -21.659 1.00 0.36 C ATOM 2104 CG GLU A 139 3.024 21.841 -22.975 1.00 1.71 C ATOM 2105 CD GLU A 139 2.351 20.464 -23.014 1.00 2.82 C ATOM 2106 OE1 GLU A 139 2.546 19.706 -22.077 1.00 3.04 O ATOM 2107 OE2 GLU A 139 1.659 20.192 -23.978 1.00 3.90 O ATOM 0 H GLU A 139 5.985 23.196 -22.208 1.00 0.33 H new ATOM 0 HA GLU A 139 5.447 20.975 -20.682 1.00 0.32 H new ATOM 0 HB2 GLU A 139 3.219 21.615 -20.832 1.00 0.36 H new ATOM 0 HB3 GLU A 139 3.974 23.064 -21.464 1.00 0.36 H new ATOM 0 HG2 GLU A 139 2.272 22.625 -23.057 1.00 1.71 H new ATOM 0 HG3 GLU A 139 3.695 21.952 -23.827 1.00 1.71 H new ATOM 2114 N GLU A 140 5.162 20.118 -23.837 1.00 0.18 N ATOM 2115 CA GLU A 140 5.106 18.902 -24.694 1.00 0.11 C ATOM 2116 C GLU A 140 6.425 18.135 -24.565 1.00 0.09 C ATOM 2117 O GLU A 140 6.445 16.923 -24.484 1.00 0.11 O ATOM 2118 CB GLU A 140 4.894 19.308 -26.153 1.00 0.06 C ATOM 2119 CG GLU A 140 4.493 18.079 -26.973 1.00 1.44 C ATOM 2120 CD GLU A 140 4.565 18.412 -28.465 1.00 1.94 C ATOM 2121 OE1 GLU A 140 4.446 19.581 -28.797 1.00 1.95 O ATOM 2122 OE2 GLU A 140 4.736 17.493 -29.249 1.00 2.99 O ATOM 0 H GLU A 140 5.241 21.003 -24.339 1.00 0.18 H new ATOM 0 HA GLU A 140 4.278 18.269 -24.374 1.00 0.11 H new ATOM 0 HB2 GLU A 140 4.119 20.071 -26.220 1.00 0.06 H new ATOM 0 HB3 GLU A 140 5.808 19.745 -26.556 1.00 0.06 H new ATOM 0 HG2 GLU A 140 5.156 17.244 -26.744 1.00 1.44 H new ATOM 0 HG3 GLU A 140 3.483 17.766 -26.708 1.00 1.44 H new ATOM 2129 N PHE A 141 7.526 18.836 -24.550 1.00 0.08 N ATOM 2130 CA PHE A 141 8.847 18.153 -24.430 1.00 0.06 C ATOM 2131 C PHE A 141 9.033 17.620 -22.998 1.00 0.08 C ATOM 2132 O PHE A 141 9.838 16.741 -22.762 1.00 0.13 O ATOM 2133 CB PHE A 141 9.978 19.159 -24.781 1.00 0.05 C ATOM 2134 CG PHE A 141 10.697 18.739 -26.048 1.00 0.06 C ATOM 2135 CD1 PHE A 141 11.589 17.667 -26.015 1.00 2.34 C ATOM 2136 CD2 PHE A 141 10.470 19.424 -27.251 1.00 2.31 C ATOM 2137 CE1 PHE A 141 12.257 17.277 -27.177 1.00 2.32 C ATOM 2138 CE2 PHE A 141 11.147 19.022 -28.419 1.00 2.31 C ATOM 2139 CZ PHE A 141 12.036 17.952 -28.373 1.00 0.10 C ATOM 0 H PHE A 141 7.568 19.853 -24.616 1.00 0.08 H new ATOM 0 HA PHE A 141 8.888 17.312 -25.122 1.00 0.06 H new ATOM 0 HB2 PHE A 141 9.557 20.156 -24.910 1.00 0.05 H new ATOM 0 HB3 PHE A 141 10.688 19.217 -23.956 1.00 0.05 H new ATOM 0 HD1 PHE A 141 11.763 17.138 -25.089 1.00 2.34 H new ATOM 0 HD2 PHE A 141 9.780 20.255 -27.281 1.00 2.31 H new ATOM 0 HE1 PHE A 141 12.948 16.448 -27.147 1.00 2.32 H new ATOM 0 HE2 PHE A 141 10.976 19.543 -29.349 1.00 2.31 H new ATOM 0 HZ PHE A 141 12.556 17.645 -29.269 1.00 0.10 H new ATOM 2149 N VAL A 142 8.308 18.137 -22.043 1.00 0.15 N ATOM 2150 CA VAL A 142 8.475 17.643 -20.645 1.00 0.17 C ATOM 2151 C VAL A 142 7.870 16.242 -20.526 1.00 0.19 C ATOM 2152 O VAL A 142 8.511 15.312 -20.077 1.00 0.25 O ATOM 2153 CB VAL A 142 7.755 18.576 -19.662 1.00 0.21 C ATOM 2154 CG1 VAL A 142 7.888 18.004 -18.241 1.00 0.22 C ATOM 2155 CG2 VAL A 142 8.366 19.997 -19.729 1.00 0.20 C ATOM 0 H VAL A 142 7.613 18.873 -22.168 1.00 0.15 H new ATOM 0 HA VAL A 142 9.538 17.617 -20.407 1.00 0.17 H new ATOM 0 HB VAL A 142 6.700 18.645 -19.929 1.00 0.21 H new ATOM 0 HG11 VAL A 142 7.379 18.661 -17.535 1.00 0.22 H new ATOM 0 HG12 VAL A 142 7.437 17.012 -18.204 1.00 0.22 H new ATOM 0 HG13 VAL A 142 8.943 17.933 -17.975 1.00 0.22 H new ATOM 0 HG21 VAL A 142 7.847 20.650 -19.027 1.00 0.20 H new ATOM 0 HG22 VAL A 142 9.423 19.951 -19.468 1.00 0.20 H new ATOM 0 HG23 VAL A 142 8.259 20.392 -20.739 1.00 0.20 H new ATOM 2165 N GLN A 143 6.631 16.091 -20.918 1.00 0.22 N ATOM 2166 CA GLN A 143 5.969 14.758 -20.823 1.00 0.23 C ATOM 2167 C GLN A 143 6.710 13.749 -21.700 1.00 0.16 C ATOM 2168 O GLN A 143 6.747 12.568 -21.409 1.00 0.21 O ATOM 2169 CB GLN A 143 4.518 14.876 -21.296 1.00 0.28 C ATOM 2170 CG GLN A 143 3.727 15.738 -20.311 1.00 0.35 C ATOM 2171 CD GLN A 143 2.380 16.120 -20.927 1.00 0.39 C ATOM 2172 OE1 GLN A 143 1.850 15.402 -21.751 1.00 0.98 O ATOM 2173 NE2 GLN A 143 1.800 17.229 -20.557 1.00 0.86 N ATOM 0 H GLN A 143 6.049 16.836 -21.301 1.00 0.22 H new ATOM 0 HA GLN A 143 5.990 14.418 -19.788 1.00 0.23 H new ATOM 0 HB2 GLN A 143 4.484 15.319 -22.291 1.00 0.28 H new ATOM 0 HB3 GLN A 143 4.068 13.886 -21.372 1.00 0.28 H new ATOM 0 HG2 GLN A 143 3.571 15.193 -19.380 1.00 0.35 H new ATOM 0 HG3 GLN A 143 4.292 16.636 -20.063 1.00 0.35 H new ATOM 0 HE21 GLN A 143 2.246 17.831 -19.865 1.00 0.86 H new ATOM 0 HE22 GLN A 143 0.901 17.493 -20.960 1.00 0.86 H new ATOM 2182 N MET A 144 7.296 14.200 -22.773 1.00 0.16 N ATOM 2183 CA MET A 144 8.031 13.262 -23.667 1.00 0.14 C ATOM 2184 C MET A 144 9.285 12.752 -22.949 1.00 0.13 C ATOM 2185 O MET A 144 9.658 11.604 -23.078 1.00 0.16 O ATOM 2186 CB MET A 144 8.426 13.993 -24.963 1.00 0.21 C ATOM 2187 CG MET A 144 7.256 13.976 -25.958 1.00 0.25 C ATOM 2188 SD MET A 144 7.426 15.363 -27.109 1.00 0.64 S ATOM 2189 CE MET A 144 8.447 14.516 -28.337 1.00 1.67 C ATOM 0 H MET A 144 7.298 15.176 -23.070 1.00 0.16 H new ATOM 0 HA MET A 144 7.392 12.415 -23.916 1.00 0.14 H new ATOM 0 HB2 MET A 144 8.707 15.022 -24.738 1.00 0.21 H new ATOM 0 HB3 MET A 144 9.298 13.514 -25.408 1.00 0.21 H new ATOM 0 HG2 MET A 144 7.244 13.034 -26.506 1.00 0.25 H new ATOM 0 HG3 MET A 144 6.309 14.046 -25.424 1.00 0.25 H new ATOM 0 HE1 MET A 144 8.442 15.083 -29.268 1.00 1.67 H new ATOM 0 HE2 MET A 144 9.469 14.435 -27.967 1.00 1.67 H new ATOM 0 HE3 MET A 144 8.047 13.518 -28.517 1.00 1.67 H new ATOM 2199 N MET A 145 9.936 13.593 -22.195 1.00 0.14 N ATOM 2200 CA MET A 145 11.160 13.144 -21.476 1.00 0.16 C ATOM 2201 C MET A 145 10.775 12.119 -20.404 1.00 0.16 C ATOM 2202 O MET A 145 11.565 11.275 -20.032 1.00 0.27 O ATOM 2203 CB MET A 145 11.853 14.353 -20.822 1.00 0.19 C ATOM 2204 CG MET A 145 12.443 15.295 -21.905 1.00 0.27 C ATOM 2205 SD MET A 145 14.227 15.512 -21.643 1.00 0.30 S ATOM 2206 CE MET A 145 14.157 16.566 -20.171 1.00 0.15 C ATOM 0 H MET A 145 9.675 14.568 -22.046 1.00 0.14 H new ATOM 0 HA MET A 145 11.848 12.682 -22.184 1.00 0.16 H new ATOM 0 HB2 MET A 145 11.139 14.900 -20.207 1.00 0.19 H new ATOM 0 HB3 MET A 145 12.647 14.009 -20.159 1.00 0.19 H new ATOM 0 HG2 MET A 145 12.261 14.880 -22.896 1.00 0.27 H new ATOM 0 HG3 MET A 145 11.942 16.262 -21.868 1.00 0.27 H new ATOM 0 HE1 MET A 145 14.996 17.261 -20.181 1.00 0.15 H new ATOM 0 HE2 MET A 145 13.222 17.126 -20.169 1.00 0.15 H new ATOM 0 HE3 MET A 145 14.210 15.946 -19.276 1.00 0.15 H new ATOM 2216 N THR A 146 9.568 12.189 -19.899 1.00 0.09 N ATOM 2217 CA THR A 146 9.126 11.242 -18.858 1.00 0.18 C ATOM 2218 C THR A 146 8.427 10.059 -19.522 1.00 0.24 C ATOM 2219 O THR A 146 7.706 9.307 -18.898 1.00 1.17 O ATOM 2220 CB THR A 146 8.154 12.012 -17.973 1.00 0.40 C ATOM 2221 OG1 THR A 146 7.506 13.003 -18.753 1.00 0.31 O ATOM 2222 CG2 THR A 146 8.929 12.689 -16.852 1.00 0.77 C ATOM 0 H THR A 146 8.868 12.877 -20.176 1.00 0.09 H new ATOM 0 HA THR A 146 9.959 10.853 -18.272 1.00 0.18 H new ATOM 0 HB THR A 146 7.416 11.330 -17.551 1.00 0.40 H new ATOM 0 HG1 THR A 146 7.418 13.826 -18.229 1.00 0.31 H new ATOM 0 HG21 THR A 146 8.239 13.242 -16.215 1.00 0.77 H new ATOM 0 HG22 THR A 146 9.445 11.934 -16.259 1.00 0.77 H new ATOM 0 HG23 THR A 146 9.659 13.377 -17.278 1.00 0.77 H new