USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 450 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 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 67:sc= 0.604 USER MOD Single : A 31 GLN : amide:sc= -0.312 X(o=-0.31,f=-0.021) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 49:sc= 1.02 USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 1.29 (180deg=1.25) USER MOD Single : A 40 LYS NZ :NH3+ -135:sc= 0.0194 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0318) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 66:sc= 0.073 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.0883 X(o=-0.088,f=-0.066) USER MOD Single : A 69 ASN : amide:sc= 0.98 K(o=0.98,f=0) USER MOD Single : A 70 GLN : amide:sc= 0.881 K(o=0.88,f=0) USER MOD Single : A 74 GLN : amide:sc= 0.914 K(o=0.91,f=0) USER MOD ----------------------------------------------------------------- ATOM 108 N ILE A 21 8.127 2.305 -0.181 1.00 0.00 N ATOM 109 CA ILE A 21 6.798 2.184 -0.764 1.00 0.00 C ATOM 110 C ILE A 21 5.788 1.828 0.334 1.00 0.00 C ATOM 111 O ILE A 21 4.699 2.401 0.388 1.00 0.00 O ATOM 112 CB ILE A 21 6.802 1.118 -1.879 1.00 0.00 C ATOM 113 CG1 ILE A 21 7.897 1.360 -2.940 1.00 0.00 C ATOM 114 CG2 ILE A 21 5.411 1.080 -2.534 1.00 0.00 C ATOM 115 CD1 ILE A 21 7.954 0.245 -3.988 1.00 0.00 C ATOM 0 HA ILE A 21 6.507 3.135 -1.210 1.00 0.00 H new ATOM 0 HB ILE A 21 7.033 0.156 -1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.713 2.312 -3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.865 1.440 -2.446 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.401 0.330 -3.324 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.662 0.826 -1.784 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.182 2.057 -2.959 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.740 0.464 -4.710 1.00 0.00 H new ATOM 0 HD12 ILE A 21 8.166 -0.705 -3.497 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.996 0.181 -4.504 1.00 0.00 H new ATOM 127 N LEU A 22 6.135 0.861 1.192 1.00 0.00 N ATOM 128 CA LEU A 22 5.304 0.334 2.265 1.00 0.00 C ATOM 129 C LEU A 22 4.846 1.452 3.185 1.00 0.00 C ATOM 130 O LEU A 22 3.722 1.371 3.671 1.00 0.00 O ATOM 131 CB LEU A 22 6.083 -0.719 3.084 1.00 0.00 C ATOM 132 CG LEU A 22 6.207 -2.110 2.439 1.00 0.00 C ATOM 133 CD1 LEU A 22 7.138 -3.010 3.255 1.00 0.00 C ATOM 134 CD2 LEU A 22 4.849 -2.799 2.324 1.00 0.00 C ATOM 0 H LEU A 22 7.048 0.408 1.149 1.00 0.00 H new ATOM 0 HA LEU A 22 4.430 -0.137 1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.086 -0.336 3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.597 -0.831 4.053 1.00 0.00 H new ATOM 0 HG LEU A 22 6.618 -1.957 1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.209 -3.988 2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.129 -2.558 3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.740 -3.126 4.263 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.976 -3.779 1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.416 -2.918 3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.184 -2.193 1.709 1.00 0.00 H new ATOM 146 N SER A 23 5.677 2.474 3.380 1.00 0.00 N ATOM 147 CA SER A 23 5.328 3.630 4.196 1.00 0.00 C ATOM 148 C SER A 23 4.292 4.499 3.486 1.00 0.00 C ATOM 149 O SER A 23 3.366 4.992 4.120 1.00 0.00 O ATOM 150 CB SER A 23 6.562 4.471 4.490 1.00 0.00 C ATOM 151 OG SER A 23 7.413 3.849 5.425 1.00 0.00 O ATOM 0 H SER A 23 6.612 2.522 2.975 1.00 0.00 H new ATOM 0 HA SER A 23 4.909 3.260 5.132 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.109 4.649 3.564 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.255 5.445 4.871 1.00 0.00 H new ATOM 0 HG SER A 23 8.194 4.419 5.586 1.00 0.00 H new ATOM 157 N GLY A 24 4.409 4.652 2.163 1.00 0.00 N ATOM 158 CA GLY A 24 3.372 5.234 1.329 1.00 0.00 C ATOM 159 C GLY A 24 2.032 4.570 1.644 1.00 0.00 C ATOM 160 O GLY A 24 1.052 5.250 1.944 1.00 0.00 O ATOM 0 H GLY A 24 5.239 4.369 1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.308 6.308 1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.619 5.098 0.276 1.00 0.00 H new ATOM 164 N ILE A 25 1.993 3.236 1.553 1.00 0.00 N ATOM 165 CA ILE A 25 0.779 2.448 1.746 1.00 0.00 C ATOM 166 C ILE A 25 0.277 2.602 3.188 1.00 0.00 C ATOM 167 O ILE A 25 -0.929 2.635 3.400 1.00 0.00 O ATOM 168 CB ILE A 25 1.021 0.962 1.372 1.00 0.00 C ATOM 169 CG1 ILE A 25 1.548 0.812 -0.071 1.00 0.00 C ATOM 170 CG2 ILE A 25 -0.279 0.153 1.517 1.00 0.00 C ATOM 171 CD1 ILE A 25 1.846 -0.633 -0.486 1.00 0.00 C ATOM 0 H ILE A 25 2.815 2.670 1.341 1.00 0.00 H new ATOM 0 HA ILE A 25 0.002 2.822 1.079 1.00 0.00 H new ATOM 0 HB ILE A 25 1.776 0.579 2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.814 1.231 -0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.458 1.403 -0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.092 -0.887 1.251 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.628 0.207 2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.040 0.566 0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.211 -0.649 -1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.604 -1.053 0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.935 -1.227 -0.416 1.00 0.00 H new ATOM 183 N GLU A 26 1.175 2.691 4.163 1.00 0.00 N ATOM 184 CA GLU A 26 0.877 2.864 5.582 1.00 0.00 C ATOM 185 C GLU A 26 0.152 4.191 5.818 1.00 0.00 C ATOM 186 O GLU A 26 -0.887 4.209 6.486 1.00 0.00 O ATOM 187 CB GLU A 26 2.209 2.687 6.323 1.00 0.00 C ATOM 188 CG GLU A 26 2.190 2.503 7.844 1.00 0.00 C ATOM 189 CD GLU A 26 3.505 1.867 8.351 1.00 0.00 C ATOM 190 OE1 GLU A 26 4.455 1.619 7.574 1.00 0.00 O ATOM 191 OE2 GLU A 26 3.604 1.552 9.561 1.00 0.00 O ATOM 0 H GLU A 26 2.177 2.642 3.978 1.00 0.00 H new ATOM 0 HA GLU A 26 0.178 2.124 5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.714 1.822 5.892 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.827 3.558 6.104 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.041 3.469 8.327 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.347 1.872 8.125 1.00 0.00 H new ATOM 198 N GLU A 27 0.624 5.266 5.180 1.00 0.00 N ATOM 199 CA GLU A 27 -0.042 6.562 5.183 1.00 0.00 C ATOM 200 C GLU A 27 -1.394 6.471 4.443 1.00 0.00 C ATOM 201 O GLU A 27 -2.374 7.090 4.873 1.00 0.00 O ATOM 202 CB GLU A 27 0.889 7.632 4.556 1.00 0.00 C ATOM 203 CG GLU A 27 1.257 8.801 5.497 1.00 0.00 C ATOM 204 CD GLU A 27 2.719 8.848 5.982 1.00 0.00 C ATOM 205 OE1 GLU A 27 3.406 7.809 6.112 1.00 0.00 O ATOM 206 OE2 GLU A 27 3.199 9.964 6.295 1.00 0.00 O ATOM 0 H GLU A 27 1.490 5.256 4.642 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.253 6.862 6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.807 7.146 4.226 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.406 8.038 3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.036 9.737 4.984 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.607 8.755 6.371 1.00 0.00 H new ATOM 213 N THR A 28 -1.483 5.707 3.345 1.00 0.00 N ATOM 214 CA THR A 28 -2.721 5.540 2.591 1.00 0.00 C ATOM 215 C THR A 28 -3.763 4.790 3.428 1.00 0.00 C ATOM 216 O THR A 28 -4.893 5.261 3.521 1.00 0.00 O ATOM 217 CB THR A 28 -2.463 4.839 1.241 1.00 0.00 C ATOM 218 OG1 THR A 28 -1.492 5.530 0.474 1.00 0.00 O ATOM 219 CG2 THR A 28 -3.744 4.713 0.397 1.00 0.00 C ATOM 0 H THR A 28 -0.694 5.189 2.959 1.00 0.00 H new ATOM 0 HA THR A 28 -3.121 6.529 2.367 1.00 0.00 H new ATOM 0 HB THR A 28 -2.099 3.842 1.490 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.621 5.471 0.919 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.512 4.213 -0.544 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.485 4.130 0.945 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.143 5.706 0.191 1.00 0.00 H new ATOM 227 N PHE A 29 -3.429 3.643 4.032 1.00 0.00 N ATOM 228 CA PHE A 29 -4.370 2.798 4.761 1.00 0.00 C ATOM 229 C PHE A 29 -5.072 3.634 5.837 1.00 0.00 C ATOM 230 O PHE A 29 -6.300 3.590 5.926 1.00 0.00 O ATOM 231 CB PHE A 29 -3.655 1.547 5.334 1.00 0.00 C ATOM 232 CG PHE A 29 -3.607 0.299 4.438 1.00 0.00 C ATOM 233 CD1 PHE A 29 -3.293 0.386 3.070 1.00 0.00 C ATOM 234 CD2 PHE A 29 -3.863 -0.980 4.975 1.00 0.00 C ATOM 235 CE1 PHE A 29 -3.283 -0.766 2.254 1.00 0.00 C ATOM 236 CE2 PHE A 29 -3.819 -2.138 4.166 1.00 0.00 C ATOM 237 CZ PHE A 29 -3.531 -2.043 2.791 1.00 0.00 C ATOM 0 H PHE A 29 -2.478 3.273 4.025 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.137 2.422 4.084 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.631 1.826 5.581 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.146 1.275 6.268 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.056 1.347 2.638 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.097 -1.076 6.025 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.081 -0.665 1.198 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.008 -3.106 4.607 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.501 -2.924 2.167 1.00 0.00 H new ATOM 247 N ALA A 30 -4.334 4.463 6.581 1.00 0.00 N ATOM 248 CA ALA A 30 -4.913 5.334 7.594 1.00 0.00 C ATOM 249 C ALA A 30 -5.929 6.339 7.031 1.00 0.00 C ATOM 250 O ALA A 30 -6.918 6.618 7.707 1.00 0.00 O ATOM 251 CB ALA A 30 -3.801 6.051 8.357 1.00 0.00 C ATOM 0 H ALA A 30 -3.321 4.545 6.494 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.476 4.697 8.276 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.240 6.701 9.114 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.158 5.315 8.840 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.211 6.649 7.663 1.00 0.00 H new ATOM 257 N GLN A 31 -5.755 6.852 5.804 1.00 0.00 N ATOM 258 CA GLN A 31 -6.707 7.767 5.152 1.00 0.00 C ATOM 259 C GLN A 31 -8.054 7.106 4.827 1.00 0.00 C ATOM 260 O GLN A 31 -9.001 7.786 4.436 1.00 0.00 O ATOM 261 CB GLN A 31 -6.076 8.337 3.866 1.00 0.00 C ATOM 262 CG GLN A 31 -5.825 9.844 4.008 1.00 0.00 C ATOM 263 CD GLN A 31 -5.049 10.474 2.856 1.00 0.00 C ATOM 264 OE1 GLN A 31 -5.608 11.168 2.006 1.00 0.00 O ATOM 265 NE2 GLN A 31 -3.741 10.271 2.819 1.00 0.00 N ATOM 0 H GLN A 31 -4.940 6.641 5.229 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.917 8.568 5.860 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.137 7.825 3.658 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.735 8.151 3.018 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.785 10.351 4.101 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.280 10.022 4.935 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.294 9.693 3.531 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.180 10.692 2.078 1.00 0.00 H new ATOM 274 N PHE A 32 -8.142 5.786 4.975 1.00 0.00 N ATOM 275 CA PHE A 32 -9.342 4.983 4.788 1.00 0.00 C ATOM 276 C PHE A 32 -9.673 4.211 6.079 1.00 0.00 C ATOM 277 O PHE A 32 -10.476 3.276 6.068 1.00 0.00 O ATOM 278 CB PHE A 32 -9.120 4.071 3.577 1.00 0.00 C ATOM 279 CG PHE A 32 -9.035 4.770 2.233 1.00 0.00 C ATOM 280 CD1 PHE A 32 -7.852 5.424 1.845 1.00 0.00 C ATOM 281 CD2 PHE A 32 -10.115 4.713 1.333 1.00 0.00 C ATOM 282 CE1 PHE A 32 -7.780 6.072 0.606 1.00 0.00 C ATOM 283 CE2 PHE A 32 -10.011 5.284 0.054 1.00 0.00 C ATOM 284 CZ PHE A 32 -8.850 5.991 -0.299 1.00 0.00 C ATOM 0 H PHE A 32 -7.336 5.222 5.242 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.210 5.610 4.585 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.199 3.509 3.732 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.933 3.346 3.538 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.997 5.426 2.505 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.032 4.226 1.628 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.897 6.637 0.345 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.820 5.180 -0.654 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.781 6.471 -1.264 1.00 0.00 H new ATOM 294 N SER A 33 -9.029 4.574 7.195 1.00 0.00 N ATOM 295 CA SER A 33 -9.217 3.971 8.514 1.00 0.00 C ATOM 296 C SER A 33 -8.830 2.481 8.541 1.00 0.00 C ATOM 297 O SER A 33 -9.335 1.716 9.370 1.00 0.00 O ATOM 298 CB SER A 33 -10.664 4.220 8.983 1.00 0.00 C ATOM 299 OG SER A 33 -10.748 4.346 10.393 1.00 0.00 O ATOM 0 H SER A 33 -8.338 5.324 7.201 1.00 0.00 H new ATOM 0 HA SER A 33 -8.538 4.450 9.219 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.047 5.126 8.514 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.299 3.398 8.653 1.00 0.00 H new ATOM 0 HG SER A 33 -11.680 4.504 10.652 1.00 0.00 H new ATOM 305 N ILE A 34 -8.003 2.017 7.604 1.00 0.00 N ATOM 306 CA ILE A 34 -7.745 0.598 7.403 1.00 0.00 C ATOM 307 C ILE A 34 -6.664 0.174 8.407 1.00 0.00 C ATOM 308 O ILE A 34 -5.659 0.883 8.533 1.00 0.00 O ATOM 309 CB ILE A 34 -7.307 0.324 5.948 1.00 0.00 C ATOM 310 CG1 ILE A 34 -8.348 0.823 4.923 1.00 0.00 C ATOM 311 CG2 ILE A 34 -7.076 -1.179 5.718 1.00 0.00 C ATOM 312 CD1 ILE A 34 -7.849 0.778 3.474 1.00 0.00 C ATOM 0 H ILE A 34 -7.492 2.622 6.961 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.651 0.016 7.571 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.377 0.873 5.800 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.249 0.216 5.008 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.629 1.847 5.171 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.768 -1.346 4.686 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.296 -1.534 6.391 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.000 -1.723 5.914 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.631 1.143 2.808 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.965 1.408 3.374 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.596 -0.248 3.208 1.00 0.00 H new ATOM 324 N PRO A 35 -6.796 -0.993 9.067 1.00 0.00 N ATOM 325 CA PRO A 35 -5.708 -1.595 9.819 1.00 0.00 C ATOM 326 C PRO A 35 -4.572 -1.938 8.864 1.00 0.00 C ATOM 327 O PRO A 35 -4.664 -2.867 8.051 1.00 0.00 O ATOM 328 CB PRO A 35 -6.278 -2.840 10.494 1.00 0.00 C ATOM 329 CG PRO A 35 -7.420 -3.235 9.569 1.00 0.00 C ATOM 330 CD PRO A 35 -7.938 -1.894 9.051 1.00 0.00 C ATOM 0 HA PRO A 35 -5.303 -0.921 10.574 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.533 -3.631 10.577 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.631 -2.627 11.503 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.075 -3.874 8.756 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.195 -3.787 10.101 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.343 -1.994 8.044 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.743 -1.516 9.682 1.00 0.00 H new ATOM 338 N TYR A 36 -3.508 -1.151 8.926 1.00 0.00 N ATOM 339 CA TYR A 36 -2.269 -1.517 8.286 1.00 0.00 C ATOM 340 C TYR A 36 -1.643 -2.646 9.102 1.00 0.00 C ATOM 341 O TYR A 36 -1.834 -2.735 10.314 1.00 0.00 O ATOM 342 CB TYR A 36 -1.368 -0.290 8.185 1.00 0.00 C ATOM 343 CG TYR A 36 -0.137 -0.549 7.350 1.00 0.00 C ATOM 344 CD1 TYR A 36 -0.170 -0.369 5.955 1.00 0.00 C ATOM 345 CD2 TYR A 36 1.049 -0.965 7.976 1.00 0.00 C ATOM 346 CE1 TYR A 36 0.999 -0.535 5.196 1.00 0.00 C ATOM 347 CE2 TYR A 36 2.207 -1.169 7.216 1.00 0.00 C ATOM 348 CZ TYR A 36 2.196 -0.926 5.829 1.00 0.00 C ATOM 349 OH TYR A 36 3.348 -0.986 5.115 1.00 0.00 O ATOM 0 H TYR A 36 -3.485 -0.256 9.415 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.427 -1.873 7.268 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.931 0.536 7.751 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.067 0.020 9.186 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.096 -0.103 5.467 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.068 -1.128 9.044 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.981 -0.364 4.130 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.111 -1.514 7.695 1.00 0.00 H new ATOM 0 HH TYR A 36 3.457 -0.159 4.600 1.00 0.00 H new ATOM 359 N ASP A 37 -0.903 -3.514 8.424 1.00 0.00 N ATOM 360 CA ASP A 37 -0.128 -4.585 9.018 1.00 0.00 C ATOM 361 C ASP A 37 1.022 -4.817 8.052 1.00 0.00 C ATOM 362 O ASP A 37 0.791 -5.321 6.949 1.00 0.00 O ATOM 363 CB ASP A 37 -0.933 -5.887 9.131 1.00 0.00 C ATOM 364 CG ASP A 37 -1.797 -6.061 10.374 1.00 0.00 C ATOM 365 OD1 ASP A 37 -1.282 -5.858 11.493 1.00 0.00 O ATOM 366 OD2 ASP A 37 -2.898 -6.658 10.262 1.00 0.00 O ATOM 0 H ASP A 37 -0.826 -3.486 7.407 1.00 0.00 H new ATOM 0 HA ASP A 37 0.186 -4.313 10.026 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.579 -5.963 8.256 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.234 -6.722 9.085 1.00 0.00 H new ATOM 371 N LYS A 38 2.249 -4.431 8.424 1.00 0.00 N ATOM 372 CA LYS A 38 3.385 -4.488 7.504 1.00 0.00 C ATOM 373 C LYS A 38 3.532 -5.867 6.891 1.00 0.00 C ATOM 374 O LYS A 38 3.640 -5.952 5.677 1.00 0.00 O ATOM 375 CB LYS A 38 4.683 -4.079 8.201 1.00 0.00 C ATOM 376 CG LYS A 38 5.796 -3.830 7.157 1.00 0.00 C ATOM 377 CD LYS A 38 6.660 -2.645 7.586 1.00 0.00 C ATOM 378 CE LYS A 38 5.840 -1.350 7.419 1.00 0.00 C ATOM 379 NZ LYS A 38 6.553 -0.091 7.714 1.00 0.00 N ATOM 0 H LYS A 38 2.477 -4.077 9.353 1.00 0.00 H new ATOM 0 HA LYS A 38 3.185 -3.777 6.702 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.519 -3.177 8.790 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.993 -4.860 8.895 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.414 -4.722 7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.353 -3.633 6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.974 -2.762 8.623 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.566 -2.599 6.982 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.473 -1.305 6.394 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.966 -1.410 8.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.926 0.716 7.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.836 -0.078 8.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.400 -0.023 7.114 1.00 0.00 H new ATOM 393 N GLU A 39 3.504 -6.923 7.712 1.00 0.00 N ATOM 394 CA GLU A 39 3.588 -8.313 7.264 1.00 0.00 C ATOM 395 C GLU A 39 2.664 -8.545 6.073 1.00 0.00 C ATOM 396 O GLU A 39 3.094 -8.988 5.013 1.00 0.00 O ATOM 397 CB GLU A 39 3.142 -9.299 8.362 1.00 0.00 C ATOM 398 CG GLU A 39 4.002 -9.436 9.619 1.00 0.00 C ATOM 399 CD GLU A 39 3.471 -10.626 10.431 1.00 0.00 C ATOM 400 OE1 GLU A 39 2.288 -10.626 10.821 1.00 0.00 O ATOM 401 OE2 GLU A 39 4.188 -11.655 10.553 1.00 0.00 O ATOM 0 H GLU A 39 3.421 -6.831 8.724 1.00 0.00 H new ATOM 0 HA GLU A 39 4.632 -8.487 7.004 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.139 -9.011 8.677 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.062 -10.286 7.907 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.047 -9.594 9.351 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.960 -8.522 10.211 1.00 0.00 H new ATOM 408 N LYS A 40 1.372 -8.280 6.269 1.00 0.00 N ATOM 409 CA LYS A 40 0.337 -8.674 5.336 1.00 0.00 C ATOM 410 C LYS A 40 0.421 -7.843 4.074 1.00 0.00 C ATOM 411 O LYS A 40 0.232 -8.384 2.994 1.00 0.00 O ATOM 412 CB LYS A 40 -1.038 -8.537 5.985 1.00 0.00 C ATOM 413 CG LYS A 40 -1.045 -9.127 7.404 1.00 0.00 C ATOM 414 CD LYS A 40 -2.446 -9.573 7.811 1.00 0.00 C ATOM 415 CE LYS A 40 -3.422 -8.387 7.758 1.00 0.00 C ATOM 416 NZ LYS A 40 -4.629 -8.615 8.571 1.00 0.00 N ATOM 0 H LYS A 40 1.021 -7.782 7.087 1.00 0.00 H new ATOM 0 HA LYS A 40 0.487 -9.719 5.066 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.321 -7.485 6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.784 -9.045 5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.363 -9.976 7.451 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.678 -8.383 8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.790 -10.365 7.146 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.424 -9.989 8.818 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.916 -7.488 8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.713 -8.206 6.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.471 -8.330 8.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.699 -9.624 8.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.571 -8.052 9.444 1.00 0.00 H new ATOM 430 N VAL A 41 0.705 -6.548 4.189 1.00 0.00 N ATOM 431 CA VAL A 41 0.897 -5.686 3.036 1.00 0.00 C ATOM 432 C VAL A 41 2.124 -6.172 2.250 1.00 0.00 C ATOM 433 O VAL A 41 2.012 -6.415 1.050 1.00 0.00 O ATOM 434 CB VAL A 41 0.967 -4.222 3.517 1.00 0.00 C ATOM 435 CG1 VAL A 41 1.302 -3.248 2.383 1.00 0.00 C ATOM 436 CG2 VAL A 41 -0.389 -3.798 4.116 1.00 0.00 C ATOM 0 H VAL A 41 0.807 -6.071 5.085 1.00 0.00 H new ATOM 0 HA VAL A 41 0.061 -5.732 2.338 1.00 0.00 H new ATOM 0 HB VAL A 41 1.761 -4.179 4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.339 -2.232 2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.270 -3.507 1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.535 -3.311 1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.330 -2.763 4.453 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.166 -3.889 3.357 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.630 -4.442 4.962 1.00 0.00 H new ATOM 446 N ARG A 42 3.273 -6.342 2.912 1.00 0.00 N ATOM 447 CA ARG A 42 4.554 -6.743 2.344 1.00 0.00 C ATOM 448 C ARG A 42 4.422 -8.077 1.621 1.00 0.00 C ATOM 449 O ARG A 42 4.769 -8.169 0.444 1.00 0.00 O ATOM 450 CB ARG A 42 5.537 -6.815 3.520 1.00 0.00 C ATOM 451 CG ARG A 42 6.984 -7.211 3.216 1.00 0.00 C ATOM 452 CD ARG A 42 7.505 -8.008 4.420 1.00 0.00 C ATOM 453 NE ARG A 42 8.938 -7.830 4.657 1.00 0.00 N ATOM 454 CZ ARG A 42 9.954 -8.243 3.900 1.00 0.00 C ATOM 455 NH1 ARG A 42 9.776 -9.030 2.843 1.00 0.00 N ATOM 456 NH2 ARG A 42 11.163 -7.832 4.220 1.00 0.00 N ATOM 0 H ARG A 42 3.332 -6.193 3.919 1.00 0.00 H new ATOM 0 HA ARG A 42 4.910 -6.033 1.597 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.551 -5.839 4.005 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.140 -7.525 4.245 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.035 -7.811 2.308 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.597 -6.325 3.048 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.956 -7.706 5.312 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.299 -9.067 4.263 1.00 0.00 H new ATOM 0 HE ARG A 42 9.191 -7.327 5.508 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.837 -9.338 2.588 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.578 -9.326 2.287 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.297 -7.219 5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.966 -8.127 3.664 1.00 0.00 H new ATOM 470 N GLU A 43 3.946 -9.110 2.313 1.00 0.00 N ATOM 471 CA GLU A 43 3.801 -10.436 1.741 1.00 0.00 C ATOM 472 C GLU A 43 2.792 -10.413 0.593 1.00 0.00 C ATOM 473 O GLU A 43 3.063 -11.008 -0.448 1.00 0.00 O ATOM 474 CB GLU A 43 3.445 -11.445 2.842 1.00 0.00 C ATOM 475 CG GLU A 43 3.257 -12.859 2.267 1.00 0.00 C ATOM 476 CD GLU A 43 3.426 -13.996 3.280 1.00 0.00 C ATOM 477 OE1 GLU A 43 3.982 -13.807 4.387 1.00 0.00 O ATOM 478 OE2 GLU A 43 3.026 -15.134 2.930 1.00 0.00 O ATOM 0 H GLU A 43 3.651 -9.045 3.287 1.00 0.00 H new ATOM 0 HA GLU A 43 4.748 -10.761 1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.234 -11.458 3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.530 -11.130 3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.261 -12.928 1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.972 -13.004 1.457 1.00 0.00 H new ATOM 485 N PHE A 44 1.666 -9.708 0.750 1.00 0.00 N ATOM 486 CA PHE A 44 0.655 -9.620 -0.292 1.00 0.00 C ATOM 487 C PHE A 44 1.258 -9.032 -1.566 1.00 0.00 C ATOM 488 O PHE A 44 1.138 -9.648 -2.621 1.00 0.00 O ATOM 489 CB PHE A 44 -0.573 -8.836 0.189 1.00 0.00 C ATOM 490 CG PHE A 44 -1.668 -8.760 -0.846 1.00 0.00 C ATOM 491 CD1 PHE A 44 -1.544 -7.873 -1.925 1.00 0.00 C ATOM 492 CD2 PHE A 44 -2.798 -9.596 -0.760 1.00 0.00 C ATOM 493 CE1 PHE A 44 -2.476 -7.911 -2.964 1.00 0.00 C ATOM 494 CE2 PHE A 44 -3.781 -9.555 -1.764 1.00 0.00 C ATOM 495 CZ PHE A 44 -3.604 -8.725 -2.883 1.00 0.00 C ATOM 0 H PHE A 44 1.438 -9.189 1.598 1.00 0.00 H new ATOM 0 HA PHE A 44 0.307 -10.626 -0.528 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.966 -9.305 1.091 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.268 -7.826 0.462 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.731 -7.163 -1.952 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.909 -10.269 0.077 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.321 -7.301 -3.842 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.671 -10.161 -1.675 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.338 -8.718 -3.676 1.00 0.00 H new ATOM 505 N ILE A 45 1.905 -7.860 -1.518 1.00 0.00 N ATOM 506 CA ILE A 45 2.467 -7.266 -2.734 1.00 0.00 C ATOM 507 C ILE A 45 3.535 -8.180 -3.359 1.00 0.00 C ATOM 508 O ILE A 45 3.544 -8.338 -4.579 1.00 0.00 O ATOM 509 CB ILE A 45 2.943 -5.812 -2.513 1.00 0.00 C ATOM 510 CG1 ILE A 45 4.151 -5.699 -1.559 1.00 0.00 C ATOM 511 CG2 ILE A 45 1.746 -4.960 -2.041 1.00 0.00 C ATOM 512 CD1 ILE A 45 4.666 -4.269 -1.392 1.00 0.00 C ATOM 0 H ILE A 45 2.050 -7.315 -0.668 1.00 0.00 H new ATOM 0 HA ILE A 45 1.665 -7.190 -3.468 1.00 0.00 H new ATOM 0 HB ILE A 45 3.310 -5.428 -3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.870 -6.092 -0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.960 -6.326 -1.934 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.071 -3.932 -1.882 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.964 -4.980 -2.800 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.356 -5.366 -1.107 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.515 -4.266 -0.708 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.979 -3.879 -2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.872 -3.641 -0.988 1.00 0.00 H new ATOM 524 N PHE A 46 4.341 -8.873 -2.545 1.00 0.00 N ATOM 525 CA PHE A 46 5.314 -9.863 -3.008 1.00 0.00 C ATOM 526 C PHE A 46 4.673 -11.117 -3.608 1.00 0.00 C ATOM 527 O PHE A 46 5.371 -11.909 -4.250 1.00 0.00 O ATOM 528 CB PHE A 46 6.224 -10.281 -1.841 1.00 0.00 C ATOM 529 CG PHE A 46 7.564 -9.572 -1.807 1.00 0.00 C ATOM 530 CD1 PHE A 46 8.483 -9.773 -2.855 1.00 0.00 C ATOM 531 CD2 PHE A 46 7.890 -8.691 -0.759 1.00 0.00 C ATOM 532 CE1 PHE A 46 9.700 -9.070 -2.875 1.00 0.00 C ATOM 533 CE2 PHE A 46 9.130 -8.025 -0.755 1.00 0.00 C ATOM 534 CZ PHE A 46 10.023 -8.194 -1.825 1.00 0.00 C ATOM 0 H PHE A 46 4.333 -8.758 -1.532 1.00 0.00 H new ATOM 0 HA PHE A 46 5.885 -9.382 -3.802 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.702 -10.091 -0.903 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.397 -11.356 -1.898 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.252 -10.470 -3.647 1.00 0.00 H new ATOM 0 HD2 PHE A 46 7.187 -8.526 0.044 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.387 -9.203 -3.698 1.00 0.00 H new ATOM 0 HE2 PHE A 46 9.395 -7.383 0.072 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.957 -7.652 -1.841 1.00 0.00 H new ATOM 544 N LYS A 47 3.386 -11.363 -3.380 1.00 0.00 N ATOM 545 CA LYS A 47 2.667 -12.523 -3.898 1.00 0.00 C ATOM 546 C LYS A 47 1.784 -12.140 -5.076 1.00 0.00 C ATOM 547 O LYS A 47 1.598 -12.966 -5.974 1.00 0.00 O ATOM 548 CB LYS A 47 1.817 -13.116 -2.770 1.00 0.00 C ATOM 549 CG LYS A 47 2.663 -14.004 -1.850 1.00 0.00 C ATOM 550 CD LYS A 47 1.831 -14.652 -0.738 1.00 0.00 C ATOM 551 CE LYS A 47 1.131 -15.941 -1.192 1.00 0.00 C ATOM 552 NZ LYS A 47 2.074 -17.071 -1.357 1.00 0.00 N ATOM 0 H LYS A 47 2.800 -10.747 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 47 3.387 -13.261 -4.253 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.365 -12.312 -2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.000 -13.700 -3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.143 -14.783 -2.442 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.459 -13.407 -1.404 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.478 -14.875 0.110 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.082 -13.941 -0.390 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.368 -16.212 -0.462 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.618 -15.759 -2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.540 -17.946 -1.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.703 -16.883 -2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.642 -17.178 -0.492 1.00 0.00 H new ATOM 566 N TYR A 48 1.254 -10.920 -5.093 1.00 0.00 N ATOM 567 CA TYR A 48 0.243 -10.513 -6.055 1.00 0.00 C ATOM 568 C TYR A 48 0.672 -9.192 -6.680 1.00 0.00 C ATOM 569 O TYR A 48 1.380 -9.246 -7.689 1.00 0.00 O ATOM 570 CB TYR A 48 -1.139 -10.504 -5.375 1.00 0.00 C ATOM 571 CG TYR A 48 -1.472 -11.838 -4.726 1.00 0.00 C ATOM 572 CD1 TYR A 48 -1.855 -12.935 -5.519 1.00 0.00 C ATOM 573 CD2 TYR A 48 -1.304 -12.013 -3.340 1.00 0.00 C ATOM 574 CE1 TYR A 48 -2.077 -14.195 -4.934 1.00 0.00 C ATOM 575 CE2 TYR A 48 -1.507 -13.270 -2.746 1.00 0.00 C ATOM 576 CZ TYR A 48 -1.891 -14.369 -3.546 1.00 0.00 C ATOM 577 OH TYR A 48 -2.050 -15.592 -2.971 1.00 0.00 O ATOM 0 H TYR A 48 1.517 -10.186 -4.436 1.00 0.00 H new ATOM 0 HA TYR A 48 0.148 -11.219 -6.880 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.165 -9.719 -4.620 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.903 -10.261 -6.113 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.979 -12.809 -6.584 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -1.016 -11.172 -2.726 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.389 -15.028 -5.546 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.370 -13.395 -1.682 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.881 -15.525 -2.008 1.00 0.00 H new ATOM 587 N SER A 49 0.351 -8.040 -6.072 1.00 0.00 N ATOM 588 CA SER A 49 0.801 -6.723 -6.513 1.00 0.00 C ATOM 589 C SER A 49 0.203 -5.611 -5.657 1.00 0.00 C ATOM 590 O SER A 49 -0.751 -5.816 -4.906 1.00 0.00 O ATOM 591 CB SER A 49 0.417 -6.485 -7.983 1.00 0.00 C ATOM 592 OG SER A 49 1.576 -6.478 -8.786 1.00 0.00 O ATOM 0 H SER A 49 -0.242 -8.004 -5.243 1.00 0.00 H new ATOM 0 HA SER A 49 1.886 -6.702 -6.407 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.265 -7.265 -8.321 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.110 -5.536 -8.081 1.00 0.00 H new ATOM 0 HG SER A 49 1.985 -7.368 -8.778 1.00 0.00 H new ATOM 598 N VAL A 50 0.743 -4.403 -5.809 1.00 0.00 N ATOM 599 CA VAL A 50 0.256 -3.188 -5.162 1.00 0.00 C ATOM 600 C VAL A 50 -1.158 -2.792 -5.580 1.00 0.00 C ATOM 601 O VAL A 50 -1.980 -2.471 -4.719 1.00 0.00 O ATOM 602 CB VAL A 50 1.251 -2.038 -5.255 1.00 0.00 C ATOM 603 CG1 VAL A 50 2.605 -2.350 -4.607 1.00 0.00 C ATOM 604 CG2 VAL A 50 1.395 -1.675 -6.700 1.00 0.00 C ATOM 0 H VAL A 50 1.555 -4.239 -6.404 1.00 0.00 H new ATOM 0 HA VAL A 50 0.174 -3.436 -4.104 1.00 0.00 H new ATOM 0 HB VAL A 50 0.865 -1.192 -4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.265 -1.488 -4.710 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.460 -2.572 -3.550 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.054 -3.212 -5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.103 -0.852 -6.800 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.760 -2.538 -7.257 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.427 -1.370 -7.097 1.00 0.00 H new ATOM 614 N GLN A 51 -1.434 -2.810 -6.887 1.00 0.00 N ATOM 615 CA GLN A 51 -2.748 -2.486 -7.425 1.00 0.00 C ATOM 616 C GLN A 51 -3.746 -3.478 -6.849 1.00 0.00 C ATOM 617 O GLN A 51 -4.790 -3.070 -6.344 1.00 0.00 O ATOM 618 CB GLN A 51 -2.738 -2.507 -8.967 1.00 0.00 C ATOM 619 CG GLN A 51 -4.163 -2.555 -9.556 1.00 0.00 C ATOM 620 CD GLN A 51 -4.295 -1.748 -10.838 1.00 0.00 C ATOM 621 OE1 GLN A 51 -4.081 -2.245 -11.939 1.00 0.00 O ATOM 622 NE2 GLN A 51 -4.668 -0.488 -10.715 1.00 0.00 N ATOM 0 H GLN A 51 -0.746 -3.051 -7.600 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.035 -1.474 -7.138 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.223 -1.621 -9.338 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.174 -3.373 -9.314 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.435 -3.592 -9.754 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.870 -2.176 -8.818 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.841 -0.095 -9.790 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.784 0.093 -11.545 1.00 0.00 H new ATOM 631 N ASP A 52 -3.408 -4.767 -6.908 1.00 0.00 N ATOM 632 CA ASP A 52 -4.342 -5.808 -6.504 1.00 0.00 C ATOM 633 C ASP A 52 -4.633 -5.688 -5.016 1.00 0.00 C ATOM 634 O ASP A 52 -5.750 -5.960 -4.586 1.00 0.00 O ATOM 635 CB ASP A 52 -3.824 -7.210 -6.864 1.00 0.00 C ATOM 636 CG ASP A 52 -4.956 -8.178 -7.216 1.00 0.00 C ATOM 637 OD1 ASP A 52 -6.051 -7.733 -7.599 1.00 0.00 O ATOM 638 OD2 ASP A 52 -4.738 -9.407 -7.227 1.00 0.00 O ATOM 0 H ASP A 52 -2.502 -5.109 -7.229 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.272 -5.669 -7.055 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.138 -7.135 -7.708 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.255 -7.611 -6.025 1.00 0.00 H new ATOM 643 N LEU A 53 -3.674 -5.191 -4.220 1.00 0.00 N ATOM 644 CA LEU A 53 -3.926 -4.963 -2.803 1.00 0.00 C ATOM 645 C LEU A 53 -4.980 -3.878 -2.625 1.00 0.00 C ATOM 646 O LEU A 53 -5.905 -4.061 -1.839 1.00 0.00 O ATOM 647 CB LEU A 53 -2.600 -4.658 -2.099 1.00 0.00 C ATOM 648 CG LEU A 53 -2.634 -4.433 -0.564 1.00 0.00 C ATOM 649 CD1 LEU A 53 -2.551 -2.940 -0.320 1.00 0.00 C ATOM 650 CD2 LEU A 53 -3.698 -5.243 0.186 1.00 0.00 C ATOM 0 H LEU A 53 -2.735 -4.945 -4.533 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.336 -5.857 -2.334 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.915 -5.481 -2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.173 -3.767 -2.559 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.761 -4.875 -0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.572 -2.745 0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.623 -2.554 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.398 -2.446 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.643 -5.018 1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.687 -4.981 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.522 -6.307 0.031 1.00 0.00 H new ATOM 662 N LEU A 54 -4.895 -2.780 -3.380 1.00 0.00 N ATOM 663 CA LEU A 54 -5.899 -1.725 -3.302 1.00 0.00 C ATOM 664 C LEU A 54 -7.277 -2.243 -3.716 1.00 0.00 C ATOM 665 O LEU A 54 -8.241 -1.922 -3.029 1.00 0.00 O ATOM 666 CB LEU A 54 -5.500 -0.496 -4.127 1.00 0.00 C ATOM 667 CG LEU A 54 -4.178 0.166 -3.702 1.00 0.00 C ATOM 668 CD1 LEU A 54 -3.940 1.397 -4.579 1.00 0.00 C ATOM 669 CD2 LEU A 54 -4.118 0.529 -2.210 1.00 0.00 C ATOM 0 H LEU A 54 -4.145 -2.602 -4.048 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.956 -1.410 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.423 -0.788 -5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.298 0.243 -4.060 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.382 -0.565 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.005 1.876 -4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.882 1.093 -5.624 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.763 2.100 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.156 0.991 -1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.920 1.228 -1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.235 -0.374 -1.611 1.00 0.00 H new ATOM 681 N VAL A 55 -7.383 -3.056 -4.776 1.00 0.00 N ATOM 682 CA VAL A 55 -8.650 -3.698 -5.143 1.00 0.00 C ATOM 683 C VAL A 55 -9.155 -4.514 -3.949 1.00 0.00 C ATOM 684 O VAL A 55 -10.289 -4.339 -3.515 1.00 0.00 O ATOM 685 CB VAL A 55 -8.506 -4.582 -6.407 1.00 0.00 C ATOM 686 CG1 VAL A 55 -9.829 -5.283 -6.769 1.00 0.00 C ATOM 687 CG2 VAL A 55 -8.042 -3.790 -7.642 1.00 0.00 C ATOM 0 H VAL A 55 -6.605 -3.284 -5.394 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.378 -2.925 -5.391 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.746 -5.319 -6.148 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.685 -5.893 -7.661 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.142 -5.919 -5.941 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.597 -4.534 -6.962 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.959 -4.463 -8.496 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.767 -3.007 -7.866 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.071 -3.338 -7.441 1.00 0.00 H new ATOM 697 N ARG A 56 -8.329 -5.425 -3.431 1.00 0.00 N ATOM 698 CA ARG A 56 -8.702 -6.387 -2.400 1.00 0.00 C ATOM 699 C ARG A 56 -9.192 -5.681 -1.144 1.00 0.00 C ATOM 700 O ARG A 56 -10.261 -6.023 -0.646 1.00 0.00 O ATOM 701 CB ARG A 56 -7.513 -7.325 -2.121 1.00 0.00 C ATOM 702 CG ARG A 56 -7.498 -8.582 -3.009 1.00 0.00 C ATOM 703 CD ARG A 56 -7.507 -8.390 -4.542 1.00 0.00 C ATOM 704 NE ARG A 56 -8.305 -9.426 -5.217 1.00 0.00 N ATOM 705 CZ ARG A 56 -9.638 -9.531 -5.203 1.00 0.00 C ATOM 706 NH1 ARG A 56 -10.389 -8.542 -4.725 1.00 0.00 N ATOM 707 NH2 ARG A 56 -10.210 -10.634 -5.656 1.00 0.00 N ATOM 0 H ARG A 56 -7.357 -5.514 -3.727 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.535 -6.994 -2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.584 -6.774 -2.269 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.539 -7.630 -1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.612 -9.162 -2.751 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.364 -9.188 -2.744 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.910 -7.406 -4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.484 -8.416 -4.918 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.792 -10.131 -5.746 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.949 -7.695 -4.365 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -11.405 -8.631 -4.718 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.635 -11.397 -6.013 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.226 -10.722 -5.649 1.00 0.00 H new ATOM 721 N VAL A 57 -8.439 -4.716 -0.622 1.00 0.00 N ATOM 722 CA VAL A 57 -8.826 -4.072 0.625 1.00 0.00 C ATOM 723 C VAL A 57 -10.038 -3.168 0.423 1.00 0.00 C ATOM 724 O VAL A 57 -10.875 -3.073 1.318 1.00 0.00 O ATOM 725 CB VAL A 57 -7.615 -3.372 1.252 1.00 0.00 C ATOM 726 CG1 VAL A 57 -7.136 -2.096 0.555 1.00 0.00 C ATOM 727 CG2 VAL A 57 -7.872 -3.073 2.729 1.00 0.00 C ATOM 0 H VAL A 57 -7.573 -4.369 -1.036 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.150 -4.824 1.344 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.805 -4.090 1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.276 -1.691 1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.851 -2.327 -0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.940 -1.360 0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.001 -2.576 3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.743 -2.424 2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.056 -4.006 3.262 1.00 0.00 H new ATOM 737 N ALA A 58 -10.165 -2.541 -0.750 1.00 0.00 N ATOM 738 CA ALA A 58 -11.377 -1.806 -1.086 1.00 0.00 C ATOM 739 C ALA A 58 -12.586 -2.728 -1.106 1.00 0.00 C ATOM 740 O ALA A 58 -13.626 -2.341 -0.581 1.00 0.00 O ATOM 741 CB ALA A 58 -11.257 -1.084 -2.431 1.00 0.00 C ATOM 0 H ALA A 58 -9.447 -2.530 -1.474 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.513 -1.054 -0.309 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.183 -0.549 -2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.430 -0.375 -2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.072 -1.813 -3.220 1.00 0.00 H new ATOM 747 N GLU A 59 -12.446 -3.924 -1.676 1.00 0.00 N ATOM 748 CA GLU A 59 -13.535 -4.883 -1.759 1.00 0.00 C ATOM 749 C GLU A 59 -13.996 -5.242 -0.344 1.00 0.00 C ATOM 750 O GLU A 59 -15.185 -5.176 -0.026 1.00 0.00 O ATOM 751 CB GLU A 59 -13.091 -6.119 -2.563 1.00 0.00 C ATOM 752 CG GLU A 59 -14.298 -6.698 -3.301 1.00 0.00 C ATOM 753 CD GLU A 59 -14.091 -8.078 -3.923 1.00 0.00 C ATOM 754 OE1 GLU A 59 -12.978 -8.661 -3.836 1.00 0.00 O ATOM 755 OE2 GLU A 59 -15.050 -8.605 -4.523 1.00 0.00 O ATOM 0 H GLU A 59 -11.574 -4.251 -2.091 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.383 -4.448 -2.288 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.312 -5.845 -3.274 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.664 -6.868 -1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.134 -6.755 -2.604 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.587 -6.003 -4.090 1.00 0.00 H new ATOM 762 N ASP A 60 -13.035 -5.570 0.520 1.00 0.00 N ATOM 763 CA ASP A 60 -13.254 -5.925 1.918 1.00 0.00 C ATOM 764 C ASP A 60 -13.991 -4.795 2.653 1.00 0.00 C ATOM 765 O ASP A 60 -14.976 -5.017 3.366 1.00 0.00 O ATOM 766 CB ASP A 60 -11.889 -6.219 2.567 1.00 0.00 C ATOM 767 CG ASP A 60 -11.952 -7.040 3.860 1.00 0.00 C ATOM 768 OD1 ASP A 60 -12.967 -7.008 4.595 1.00 0.00 O ATOM 769 OD2 ASP A 60 -10.905 -7.640 4.209 1.00 0.00 O ATOM 0 H ASP A 60 -12.050 -5.596 0.255 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.882 -6.813 1.984 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.267 -6.751 1.846 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.392 -5.272 2.779 1.00 0.00 H new ATOM 774 N ARG A 61 -13.508 -3.560 2.498 1.00 0.00 N ATOM 775 CA ARG A 61 -13.932 -2.391 3.269 1.00 0.00 C ATOM 776 C ARG A 61 -15.066 -1.590 2.614 1.00 0.00 C ATOM 777 O ARG A 61 -15.546 -0.651 3.237 1.00 0.00 O ATOM 778 CB ARG A 61 -12.713 -1.490 3.487 1.00 0.00 C ATOM 779 CG ARG A 61 -11.621 -2.028 4.420 1.00 0.00 C ATOM 780 CD ARG A 61 -11.948 -1.791 5.901 1.00 0.00 C ATOM 781 NE ARG A 61 -12.314 -3.040 6.593 1.00 0.00 N ATOM 782 CZ ARG A 61 -11.790 -3.525 7.725 1.00 0.00 C ATOM 783 NH1 ARG A 61 -11.020 -2.765 8.492 1.00 0.00 N ATOM 784 NH2 ARG A 61 -12.037 -4.773 8.097 1.00 0.00 N ATOM 0 H ARG A 61 -12.788 -3.340 1.810 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.336 -2.753 4.214 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.262 -1.286 2.516 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.061 -0.536 3.884 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.492 -3.096 4.246 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.672 -1.549 4.179 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.086 -1.342 6.395 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.769 -1.078 5.981 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.050 -3.598 6.160 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.823 -1.802 8.221 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.625 -3.144 9.353 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.629 -5.370 7.519 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.635 -5.137 8.961 1.00 0.00 H new ATOM 798 N ASN A 62 -15.517 -1.935 1.404 1.00 0.00 N ATOM 799 CA ASN A 62 -16.499 -1.193 0.594 1.00 0.00 C ATOM 800 C ASN A 62 -16.007 0.171 0.118 1.00 0.00 C ATOM 801 O ASN A 62 -16.777 1.119 -0.049 1.00 0.00 O ATOM 802 CB ASN A 62 -17.837 -1.049 1.317 1.00 0.00 C ATOM 803 CG ASN A 62 -18.959 -0.929 0.294 1.00 0.00 C ATOM 804 OD1 ASN A 62 -19.304 -1.905 -0.361 1.00 0.00 O ATOM 805 ND2 ASN A 62 -19.530 0.239 0.080 1.00 0.00 N ATOM 0 H ASN A 62 -15.193 -2.781 0.936 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.641 -1.801 -0.299 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.009 -1.912 1.961 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.822 -0.169 1.960 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.257 0.329 -0.630 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.245 1.053 0.624 1.00 0.00 H new ATOM 812 N LEU A 63 -14.710 0.302 -0.083 1.00 0.00 N ATOM 813 CA LEU A 63 -14.066 1.544 -0.508 1.00 0.00 C ATOM 814 C LEU A 63 -13.993 1.542 -2.037 1.00 0.00 C ATOM 815 O LEU A 63 -14.557 0.647 -2.670 1.00 0.00 O ATOM 816 CB LEU A 63 -12.702 1.671 0.185 1.00 0.00 C ATOM 817 CG LEU A 63 -12.772 1.467 1.712 1.00 0.00 C ATOM 818 CD1 LEU A 63 -11.336 1.257 2.224 1.00 0.00 C ATOM 819 CD2 LEU A 63 -13.471 2.630 2.423 1.00 0.00 C ATOM 0 H LEU A 63 -14.053 -0.467 0.046 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.635 2.426 -0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.016 0.939 -0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.286 2.657 -0.024 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.379 0.590 1.937 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.353 1.110 3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.904 0.379 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.733 2.134 1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.495 2.439 3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.926 3.554 2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.490 2.725 2.049 1.00 0.00 H new ATOM 831 N ASP A 64 -13.316 2.517 -2.651 1.00 0.00 N ATOM 832 CA ASP A 64 -13.183 2.576 -4.104 1.00 0.00 C ATOM 833 C ASP A 64 -11.699 2.585 -4.424 1.00 0.00 C ATOM 834 O ASP A 64 -10.943 3.438 -3.947 1.00 0.00 O ATOM 835 CB ASP A 64 -13.866 3.796 -4.739 1.00 0.00 C ATOM 836 CG ASP A 64 -15.100 4.307 -4.003 1.00 0.00 C ATOM 837 OD1 ASP A 64 -14.924 5.135 -3.068 1.00 0.00 O ATOM 838 OD2 ASP A 64 -16.210 3.867 -4.361 1.00 0.00 O ATOM 0 H ASP A 64 -12.850 3.279 -2.158 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.688 1.708 -4.528 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.140 4.606 -4.803 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.151 3.542 -5.760 1.00 0.00 H new ATOM 843 N VAL A 65 -11.263 1.626 -5.237 1.00 0.00 N ATOM 844 CA VAL A 65 -9.871 1.497 -5.642 1.00 0.00 C ATOM 845 C VAL A 65 -9.387 2.730 -6.419 1.00 0.00 C ATOM 846 O VAL A 65 -8.206 3.063 -6.379 1.00 0.00 O ATOM 847 CB VAL A 65 -9.668 0.154 -6.362 1.00 0.00 C ATOM 848 CG1 VAL A 65 -10.571 0.027 -7.586 1.00 0.00 C ATOM 849 CG2 VAL A 65 -8.206 -0.049 -6.772 1.00 0.00 C ATOM 0 H VAL A 65 -11.873 0.912 -5.635 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.228 1.474 -4.762 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.941 -0.625 -5.650 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.398 -0.935 -8.068 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.614 0.096 -7.277 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.347 0.830 -8.289 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.100 -1.009 -7.278 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.902 0.752 -7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.574 -0.035 -5.884 1.00 0.00 H new ATOM 859 N GLU A 66 -10.277 3.444 -7.102 1.00 0.00 N ATOM 860 CA GLU A 66 -9.971 4.684 -7.807 1.00 0.00 C ATOM 861 C GLU A 66 -9.569 5.814 -6.852 1.00 0.00 C ATOM 862 O GLU A 66 -8.627 6.556 -7.129 1.00 0.00 O ATOM 863 CB GLU A 66 -11.100 5.067 -8.774 1.00 0.00 C ATOM 864 CG GLU A 66 -12.537 4.916 -8.235 1.00 0.00 C ATOM 865 CD GLU A 66 -13.578 4.741 -9.350 1.00 0.00 C ATOM 866 OE1 GLU A 66 -13.246 4.203 -10.437 1.00 0.00 O ATOM 867 OE2 GLU A 66 -14.770 5.044 -9.140 1.00 0.00 O ATOM 0 H GLU A 66 -11.256 3.169 -7.182 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.089 4.508 -8.422 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.955 6.104 -9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.005 4.456 -9.672 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.580 4.056 -7.566 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.791 5.794 -7.642 1.00 0.00 H new ATOM 874 N VAL A 67 -10.202 5.917 -5.685 1.00 0.00 N ATOM 875 CA VAL A 67 -9.791 6.879 -4.663 1.00 0.00 C ATOM 876 C VAL A 67 -8.448 6.409 -4.081 1.00 0.00 C ATOM 877 O VAL A 67 -7.536 7.206 -3.860 1.00 0.00 O ATOM 878 CB VAL A 67 -10.897 7.035 -3.595 1.00 0.00 C ATOM 879 CG1 VAL A 67 -10.615 8.221 -2.659 1.00 0.00 C ATOM 880 CG2 VAL A 67 -12.289 7.276 -4.208 1.00 0.00 C ATOM 0 H VAL A 67 -11.004 5.344 -5.423 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.649 7.872 -5.090 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.892 6.092 -3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.413 8.300 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.664 8.064 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.567 9.141 -3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -13.025 7.378 -3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.271 8.188 -4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.557 6.432 -4.844 1.00 0.00 H new ATOM 890 N LEU A 68 -8.275 5.098 -3.878 1.00 0.00 N ATOM 891 CA LEU A 68 -7.024 4.552 -3.353 1.00 0.00 C ATOM 892 C LEU A 68 -5.846 4.811 -4.287 1.00 0.00 C ATOM 893 O LEU A 68 -4.753 5.103 -3.808 1.00 0.00 O ATOM 894 CB LEU A 68 -7.151 3.046 -3.111 1.00 0.00 C ATOM 895 CG LEU A 68 -7.988 2.686 -1.873 1.00 0.00 C ATOM 896 CD1 LEU A 68 -8.287 1.189 -1.834 1.00 0.00 C ATOM 897 CD2 LEU A 68 -7.208 3.022 -0.604 1.00 0.00 C ATOM 0 H LEU A 68 -8.989 4.396 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.831 5.063 -2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.600 2.583 -3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.154 2.620 -3.001 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.916 3.254 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.880 0.959 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.844 0.906 -2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.351 0.632 -1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.807 2.765 0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.278 2.454 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.982 4.088 -0.588 1.00 0.00 H new ATOM 909 N ASN A 69 -6.053 4.723 -5.605 1.00 0.00 N ATOM 910 CA ASN A 69 -5.042 5.040 -6.617 1.00 0.00 C ATOM 911 C ASN A 69 -4.523 6.463 -6.388 1.00 0.00 C ATOM 912 O ASN A 69 -3.320 6.703 -6.488 1.00 0.00 O ATOM 913 CB ASN A 69 -5.629 4.937 -8.039 1.00 0.00 C ATOM 914 CG ASN A 69 -5.510 3.575 -8.718 1.00 0.00 C ATOM 915 OD1 ASN A 69 -4.545 3.277 -9.413 1.00 0.00 O ATOM 916 ND2 ASN A 69 -6.489 2.701 -8.546 1.00 0.00 N ATOM 0 H ASN A 69 -6.943 4.424 -6.004 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.228 4.321 -6.526 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.684 5.207 -7.995 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.136 5.678 -8.668 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.438 1.784 -8.991 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.294 2.944 -7.969 1.00 0.00 H new ATOM 923 N GLN A 70 -5.421 7.403 -6.082 1.00 0.00 N ATOM 924 CA GLN A 70 -5.110 8.813 -5.904 1.00 0.00 C ATOM 925 C GLN A 70 -4.375 9.076 -4.588 1.00 0.00 C ATOM 926 O GLN A 70 -3.396 9.823 -4.580 1.00 0.00 O ATOM 927 CB GLN A 70 -6.406 9.621 -6.010 1.00 0.00 C ATOM 928 CG GLN A 70 -6.904 9.661 -7.461 1.00 0.00 C ATOM 929 CD GLN A 70 -8.318 10.212 -7.545 1.00 0.00 C ATOM 930 OE1 GLN A 70 -8.533 11.400 -7.768 1.00 0.00 O ATOM 931 NE2 GLN A 70 -9.312 9.357 -7.386 1.00 0.00 N ATOM 0 H GLN A 70 -6.410 7.193 -5.949 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.427 9.131 -6.692 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.170 9.178 -5.370 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.238 10.636 -5.650 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.235 10.278 -8.060 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.877 8.657 -7.885 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.114 8.374 -7.201 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.277 9.680 -7.448 1.00 0.00 H new ATOM 940 N VAL A 71 -4.781 8.475 -3.467 1.00 0.00 N ATOM 941 CA VAL A 71 -4.072 8.670 -2.202 1.00 0.00 C ATOM 942 C VAL A 71 -2.694 7.999 -2.283 1.00 0.00 C ATOM 943 O VAL A 71 -1.694 8.564 -1.833 1.00 0.00 O ATOM 944 CB VAL A 71 -4.949 8.166 -1.048 1.00 0.00 C ATOM 945 CG1 VAL A 71 -4.238 8.369 0.289 1.00 0.00 C ATOM 946 CG2 VAL A 71 -6.270 8.947 -0.997 1.00 0.00 C ATOM 0 H VAL A 71 -5.589 7.855 -3.410 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.886 9.726 -2.008 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.142 7.107 -1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.873 8.007 1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.299 7.816 0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.034 9.430 0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.880 8.577 -0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.061 10.006 -0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.808 8.813 -1.935 1.00 0.00 H new ATOM 956 N ARG A 72 -2.601 6.850 -2.961 1.00 0.00 N ATOM 957 CA ARG A 72 -1.320 6.209 -3.228 1.00 0.00 C ATOM 958 C ARG A 72 -0.390 7.113 -4.048 1.00 0.00 C ATOM 959 O ARG A 72 0.827 6.966 -3.946 1.00 0.00 O ATOM 960 CB ARG A 72 -1.564 4.833 -3.872 1.00 0.00 C ATOM 961 CG ARG A 72 -0.264 4.081 -4.186 1.00 0.00 C ATOM 962 CD ARG A 72 -0.537 2.642 -4.634 1.00 0.00 C ATOM 963 NE ARG A 72 0.634 2.101 -5.328 1.00 0.00 N ATOM 964 CZ ARG A 72 1.694 1.511 -4.777 1.00 0.00 C ATOM 965 NH1 ARG A 72 1.635 0.999 -3.553 1.00 0.00 N ATOM 966 NH2 ARG A 72 2.804 1.427 -5.490 1.00 0.00 N ATOM 0 H ARG A 72 -3.406 6.347 -3.334 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.793 6.044 -2.288 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.175 4.228 -3.203 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.133 4.964 -4.792 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.282 4.608 -4.968 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.374 4.072 -3.302 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.776 2.023 -3.769 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.404 2.616 -5.293 1.00 0.00 H new ATOM 0 HE ARG A 72 0.638 2.185 -6.345 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.768 1.054 -3.019 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.457 0.551 -3.147 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.833 1.808 -6.436 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.632 0.981 -5.095 1.00 0.00 H new ATOM 980 N ALA A 73 -0.919 8.066 -4.826 1.00 0.00 N ATOM 981 CA ALA A 73 -0.089 8.999 -5.570 1.00 0.00 C ATOM 982 C ALA A 73 0.606 9.945 -4.588 1.00 0.00 C ATOM 983 O ALA A 73 1.819 9.898 -4.413 1.00 0.00 O ATOM 984 CB ALA A 73 -0.924 9.763 -6.611 1.00 0.00 C ATOM 0 H ALA A 73 -1.922 8.205 -4.951 1.00 0.00 H new ATOM 0 HA ALA A 73 0.675 8.451 -6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.282 10.455 -7.155 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.370 9.055 -7.310 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.713 10.321 -6.106 1.00 0.00 H new ATOM 990 N GLN A 74 -0.180 10.793 -3.931 1.00 0.00 N ATOM 991 CA GLN A 74 0.203 11.995 -3.190 1.00 0.00 C ATOM 992 C GLN A 74 0.999 11.771 -1.889 1.00 0.00 C ATOM 993 O GLN A 74 1.089 12.685 -1.067 1.00 0.00 O ATOM 994 CB GLN A 74 -1.100 12.765 -2.923 1.00 0.00 C ATOM 995 CG GLN A 74 -2.066 12.020 -1.995 1.00 0.00 C ATOM 996 CD GLN A 74 -3.465 12.588 -2.130 1.00 0.00 C ATOM 997 OE1 GLN A 74 -3.864 13.454 -1.353 1.00 0.00 O ATOM 998 NE2 GLN A 74 -4.202 12.129 -3.124 1.00 0.00 N ATOM 0 H GLN A 74 -1.189 10.646 -3.900 1.00 0.00 H new ATOM 0 HA GLN A 74 0.913 12.552 -3.802 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.858 13.733 -2.483 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.598 12.962 -3.872 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.072 10.958 -2.241 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.729 12.106 -0.962 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.830 11.410 -3.745 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.143 12.493 -3.272 1.00 0.00 H new