USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 740 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 LYS NZ :NH3+ -138:sc= 0 (180deg=0) USER MOD Set 1.2: A 76 ASN : amide:sc= -0.913 X(o=-0.91,f=-1.2) USER MOD Single : A 16 CYS SG : rot -13:sc= 0.416 USER MOD Single : A 17 GLN : amide:sc= -1.31 K(o=-1.3,f=-3.2!) USER MOD Single : A 19 GLN : amide:sc= -0.769 K(o=-0.77,f=-1.6!) USER MOD Single : A 20 THR OG1 : rot -71:sc= 0.16 USER MOD Single : A 23 TYR OH : rot 30:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.201 X(o=-0.2,f=0) USER MOD Single : A 29 SER OG : rot 95:sc= 1.29 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 100:sc= -1.34 USER MOD Single : A 42 CYS SG : rot 47:sc= -5.6! USER MOD Single : A 46 TYR OH : rot 103:sc= 1.45 USER MOD Single : A 49 GLN : amide:sc= -1.29 K(o=-1.3,f=-2.7!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 67 THR OG1 : rot -130:sc= -1.25 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0.197 USER MOD Single : A 87 GLN : amide:sc= -2.73! C(o=-2.7!,f=-8.4!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 17:sc= -3.21! USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -1.69 K(o=-1.7,f=-0.44) USER MOD Single : A 106 HIS : no HD1:sc= -2.47 X(o=-2.5,f=-2.1) USER MOD Single : A 107 SER OG : rot 85:sc= 1.26 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N GLU A 11 -0.455 -13.651 -3.232 1.00 0.00 N ATOM 113 CA GLU A 11 0.889 -13.209 -3.585 1.00 0.00 C ATOM 114 C GLU A 11 1.100 -11.748 -3.198 1.00 0.00 C ATOM 115 O GLU A 11 2.167 -11.371 -2.711 1.00 0.00 O ATOM 116 CB GLU A 11 1.133 -13.392 -5.084 1.00 0.00 C ATOM 117 CG GLU A 11 2.423 -12.754 -5.573 1.00 0.00 C ATOM 118 CD GLU A 11 3.654 -13.539 -5.161 1.00 0.00 C ATOM 119 OE1 GLU A 11 3.616 -14.184 -4.091 1.00 0.00 O ATOM 120 OE2 GLU A 11 4.654 -13.507 -5.907 1.00 0.00 O ATOM 0 HA GLU A 11 1.602 -13.820 -3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.155 -14.458 -5.313 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.295 -12.965 -5.635 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.395 -12.673 -6.660 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.495 -11.740 -5.180 1.00 0.00 H new ATOM 127 N LEU A 12 0.077 -10.930 -3.419 1.00 0.00 N ATOM 128 CA LEU A 12 0.149 -9.510 -3.094 1.00 0.00 C ATOM 129 C LEU A 12 0.031 -9.289 -1.589 1.00 0.00 C ATOM 130 O LEU A 12 0.894 -8.660 -0.974 1.00 0.00 O ATOM 131 CB LEU A 12 -0.956 -8.743 -3.821 1.00 0.00 C ATOM 132 CG LEU A 12 -1.187 -7.303 -3.363 1.00 0.00 C ATOM 133 CD1 LEU A 12 -0.113 -6.385 -3.925 1.00 0.00 C ATOM 134 CD2 LEU A 12 -2.571 -6.826 -3.782 1.00 0.00 C ATOM 0 H LEU A 12 -0.812 -11.226 -3.822 1.00 0.00 H new ATOM 0 HA LEU A 12 1.119 -9.137 -3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.722 -8.731 -4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.889 -9.294 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.128 -7.274 -2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.294 -5.364 -3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.866 -6.714 -3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.140 -6.418 -5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.719 -5.799 -3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.658 -6.870 -4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.329 -7.467 -3.331 1.00 0.00 H new ATOM 146 N LEU A 13 -1.038 -9.810 -1.001 1.00 0.00 N ATOM 147 CA LEU A 13 -1.269 -9.673 0.432 1.00 0.00 C ATOM 148 C LEU A 13 0.004 -9.974 1.219 1.00 0.00 C ATOM 149 O LEU A 13 0.584 -9.085 1.842 1.00 0.00 O ATOM 150 CB LEU A 13 -2.393 -10.607 0.881 1.00 0.00 C ATOM 151 CG LEU A 13 -2.435 -10.939 2.374 1.00 0.00 C ATOM 152 CD1 LEU A 13 -2.908 -9.735 3.174 1.00 0.00 C ATOM 153 CD2 LEU A 13 -3.336 -12.139 2.628 1.00 0.00 C ATOM 0 H LEU A 13 -1.761 -10.333 -1.495 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.563 -8.642 0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.346 -10.156 0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.307 -11.540 0.324 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.426 -11.193 2.700 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.932 -9.989 4.234 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.224 -8.901 3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.908 -9.451 2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.354 -12.361 3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.347 -11.914 2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.954 -13.003 2.084 1.00 0.00 H new ATOM 165 N ARG A 14 0.431 -11.232 1.184 1.00 0.00 N ATOM 166 CA ARG A 14 1.634 -11.650 1.893 1.00 0.00 C ATOM 167 C ARG A 14 2.771 -10.657 1.667 1.00 0.00 C ATOM 168 O ARG A 14 3.411 -10.204 2.614 1.00 0.00 O ATOM 169 CB ARG A 14 2.062 -13.045 1.436 1.00 0.00 C ATOM 170 CG ARG A 14 1.359 -14.171 2.176 1.00 0.00 C ATOM 171 CD ARG A 14 1.983 -15.521 1.860 1.00 0.00 C ATOM 172 NE ARG A 14 3.344 -15.630 2.380 1.00 0.00 N ATOM 173 CZ ARG A 14 4.002 -16.779 2.482 1.00 0.00 C ATOM 174 NH1 ARG A 14 3.427 -17.912 2.102 1.00 0.00 N ATOM 175 NH2 ARG A 14 5.237 -16.797 2.965 1.00 0.00 N ATOM 0 H ARG A 14 -0.038 -11.979 0.672 1.00 0.00 H new ATOM 0 HA ARG A 14 1.406 -11.679 2.959 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.865 -13.145 0.369 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.138 -13.148 1.573 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.408 -13.989 3.250 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.304 -14.184 1.903 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.368 -16.313 2.286 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.994 -15.671 0.780 1.00 0.00 H new ATOM 0 HE ARG A 14 3.815 -14.777 2.681 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.477 -17.902 1.730 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.935 -18.793 2.181 1.00 0.00 H new ATOM 0 HH21 ARG A 14 5.682 -15.928 3.259 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.741 -17.680 3.043 1.00 0.00 H new ATOM 189 N TRP A 15 3.016 -10.326 0.404 1.00 0.00 N ATOM 190 CA TRP A 15 4.077 -9.388 0.052 1.00 0.00 C ATOM 191 C TRP A 15 3.900 -8.066 0.790 1.00 0.00 C ATOM 192 O TRP A 15 4.860 -7.511 1.327 1.00 0.00 O ATOM 193 CB TRP A 15 4.091 -9.146 -1.458 1.00 0.00 C ATOM 194 CG TRP A 15 5.105 -8.128 -1.886 1.00 0.00 C ATOM 195 CD1 TRP A 15 6.460 -8.290 -1.933 1.00 0.00 C ATOM 196 CD2 TRP A 15 4.843 -6.791 -2.327 1.00 0.00 C ATOM 197 NE1 TRP A 15 7.057 -7.134 -2.375 1.00 0.00 N ATOM 198 CE2 TRP A 15 6.086 -6.200 -2.625 1.00 0.00 C ATOM 199 CE3 TRP A 15 3.679 -6.037 -2.501 1.00 0.00 C ATOM 200 CZ2 TRP A 15 6.196 -4.890 -3.084 1.00 0.00 C ATOM 201 CZ3 TRP A 15 3.790 -4.737 -2.957 1.00 0.00 C ATOM 202 CH2 TRP A 15 5.041 -4.175 -3.245 1.00 0.00 C ATOM 0 H TRP A 15 2.495 -10.693 -0.393 1.00 0.00 H new ATOM 0 HA TRP A 15 5.030 -9.825 0.351 1.00 0.00 H new ATOM 0 HB2 TRP A 15 4.294 -10.088 -1.968 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.101 -8.818 -1.776 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.985 -9.194 -1.662 1.00 0.00 H new ATOM 0 HE1 TRP A 15 8.060 -6.994 -2.497 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.711 -6.462 -2.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 7.159 -4.454 -3.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 2.898 -4.144 -3.094 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.094 -3.157 -3.601 1.00 0.00 H new ATOM 213 N CYS A 16 2.669 -7.566 0.813 1.00 0.00 N ATOM 214 CA CYS A 16 2.368 -6.307 1.485 1.00 0.00 C ATOM 215 C CYS A 16 2.533 -6.444 2.996 1.00 0.00 C ATOM 216 O CYS A 16 2.953 -5.505 3.672 1.00 0.00 O ATOM 217 CB CYS A 16 0.945 -5.856 1.155 1.00 0.00 C ATOM 218 SG CYS A 16 0.680 -5.472 -0.593 1.00 0.00 S ATOM 0 H CYS A 16 1.864 -8.013 0.374 1.00 0.00 H new ATOM 0 HA CYS A 16 3.072 -5.556 1.127 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.248 -6.639 1.454 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.707 -4.974 1.750 1.00 0.00 H new ATOM 0 HG CYS A 16 1.828 -5.392 -1.199 1.00 0.00 H new ATOM 224 N GLN A 17 2.197 -7.619 3.518 1.00 0.00 N ATOM 225 CA GLN A 17 2.306 -7.878 4.949 1.00 0.00 C ATOM 226 C GLN A 17 3.735 -7.659 5.434 1.00 0.00 C ATOM 227 O GLN A 17 3.967 -6.934 6.401 1.00 0.00 O ATOM 228 CB GLN A 17 1.859 -9.306 5.265 1.00 0.00 C ATOM 229 CG GLN A 17 0.378 -9.548 5.026 1.00 0.00 C ATOM 230 CD GLN A 17 -0.026 -10.989 5.273 1.00 0.00 C ATOM 231 OE1 GLN A 17 0.765 -11.910 5.072 1.00 0.00 O ATOM 232 NE2 GLN A 17 -1.263 -11.190 5.711 1.00 0.00 N ATOM 0 H GLN A 17 1.847 -8.406 2.972 1.00 0.00 H new ATOM 0 HA GLN A 17 1.654 -7.178 5.471 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.435 -10.001 4.655 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.091 -9.528 6.307 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.203 -8.895 5.678 1.00 0.00 H new ATOM 0 HG3 GLN A 17 0.130 -9.276 4.000 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.885 -10.396 5.864 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.591 -12.138 5.895 1.00 0.00 H new ATOM 241 N GLU A 18 4.688 -8.293 4.758 1.00 0.00 N ATOM 242 CA GLU A 18 6.094 -8.168 5.123 1.00 0.00 C ATOM 243 C GLU A 18 6.537 -6.708 5.091 1.00 0.00 C ATOM 244 O GLU A 18 7.348 -6.277 5.911 1.00 0.00 O ATOM 245 CB GLU A 18 6.965 -8.997 4.176 1.00 0.00 C ATOM 246 CG GLU A 18 6.928 -10.488 4.464 1.00 0.00 C ATOM 247 CD GLU A 18 7.936 -10.905 5.516 1.00 0.00 C ATOM 248 OE1 GLU A 18 9.120 -11.091 5.164 1.00 0.00 O ATOM 249 OE2 GLU A 18 7.541 -11.044 6.693 1.00 0.00 O ATOM 0 H GLU A 18 4.512 -8.898 3.956 1.00 0.00 H new ATOM 0 HA GLU A 18 6.214 -8.544 6.139 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.637 -8.825 3.151 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.995 -8.648 4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.927 -10.765 4.795 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.122 -11.037 3.543 1.00 0.00 H new ATOM 256 N GLN A 19 5.997 -5.953 4.141 1.00 0.00 N ATOM 257 CA GLN A 19 6.337 -4.541 4.001 1.00 0.00 C ATOM 258 C GLN A 19 5.763 -3.727 5.156 1.00 0.00 C ATOM 259 O GLN A 19 6.504 -3.143 5.948 1.00 0.00 O ATOM 260 CB GLN A 19 5.816 -3.998 2.670 1.00 0.00 C ATOM 261 CG GLN A 19 6.441 -4.665 1.454 1.00 0.00 C ATOM 262 CD GLN A 19 7.862 -5.127 1.708 1.00 0.00 C ATOM 263 OE1 GLN A 19 8.698 -4.363 2.192 1.00 0.00 O ATOM 264 NE2 GLN A 19 8.143 -6.384 1.383 1.00 0.00 N ATOM 0 H GLN A 19 5.322 -6.294 3.456 1.00 0.00 H new ATOM 0 HA GLN A 19 7.423 -4.451 4.021 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.735 -4.131 2.631 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.007 -2.926 2.625 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.832 -5.520 1.160 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.434 -3.966 0.617 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.419 -6.982 0.984 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.083 -6.751 1.532 1.00 0.00 H new ATOM 273 N THR A 20 4.437 -3.691 5.247 1.00 0.00 N ATOM 274 CA THR A 20 3.762 -2.947 6.303 1.00 0.00 C ATOM 275 C THR A 20 4.223 -3.409 7.681 1.00 0.00 C ATOM 276 O THR A 20 4.340 -2.608 8.607 1.00 0.00 O ATOM 277 CB THR A 20 2.233 -3.098 6.208 1.00 0.00 C ATOM 278 OG1 THR A 20 1.862 -4.467 6.406 1.00 0.00 O ATOM 279 CG2 THR A 20 1.724 -2.621 4.856 1.00 0.00 C ATOM 0 H THR A 20 3.809 -4.169 4.601 1.00 0.00 H new ATOM 0 HA THR A 20 4.024 -1.898 6.168 1.00 0.00 H new ATOM 0 HB THR A 20 1.781 -2.483 6.986 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.126 -4.994 5.623 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.641 -2.738 4.813 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.981 -1.571 4.720 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.184 -3.213 4.065 1.00 0.00 H new ATOM 287 N ALA A 21 4.483 -4.706 7.808 1.00 0.00 N ATOM 288 CA ALA A 21 4.933 -5.275 9.073 1.00 0.00 C ATOM 289 C ALA A 21 5.825 -4.296 9.828 1.00 0.00 C ATOM 290 O ALA A 21 5.540 -3.933 10.968 1.00 0.00 O ATOM 291 CB ALA A 21 5.670 -6.584 8.830 1.00 0.00 C ATOM 0 H ALA A 21 4.390 -5.383 7.051 1.00 0.00 H new ATOM 0 HA ALA A 21 4.055 -5.474 9.687 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.000 -6.998 9.783 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.002 -7.292 8.339 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.536 -6.401 8.194 1.00 0.00 H new ATOM 297 N GLY A 22 6.908 -3.870 9.184 1.00 0.00 N ATOM 298 CA GLY A 22 7.826 -2.937 9.811 1.00 0.00 C ATOM 299 C GLY A 22 7.109 -1.808 10.523 1.00 0.00 C ATOM 300 O GLY A 22 7.396 -1.515 11.684 1.00 0.00 O ATOM 0 H GLY A 22 7.166 -4.155 8.239 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.452 -3.472 10.524 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.490 -2.521 9.053 1.00 0.00 H new ATOM 304 N TYR A 23 6.173 -1.172 9.827 1.00 0.00 N ATOM 305 CA TYR A 23 5.414 -0.066 10.399 1.00 0.00 C ATOM 306 C TYR A 23 4.609 -0.526 11.610 1.00 0.00 C ATOM 307 O TYR A 23 3.795 -1.446 11.533 1.00 0.00 O ATOM 308 CB TYR A 23 4.479 0.536 9.349 1.00 0.00 C ATOM 309 CG TYR A 23 4.173 1.999 9.577 1.00 0.00 C ATOM 310 CD1 TYR A 23 3.499 2.418 10.718 1.00 0.00 C ATOM 311 CD2 TYR A 23 4.559 2.961 8.653 1.00 0.00 C ATOM 312 CE1 TYR A 23 3.217 3.754 10.929 1.00 0.00 C ATOM 313 CE2 TYR A 23 4.283 4.300 8.857 1.00 0.00 C ATOM 314 CZ TYR A 23 3.611 4.690 9.997 1.00 0.00 C ATOM 315 OH TYR A 23 3.333 6.023 10.205 1.00 0.00 O ATOM 0 H TYR A 23 5.922 -1.403 8.866 1.00 0.00 H new ATOM 0 HA TYR A 23 6.122 0.696 10.725 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.929 0.417 8.363 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.545 -0.025 9.343 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.191 1.688 11.451 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.084 2.658 7.759 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.690 4.063 11.820 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.591 5.036 8.129 1.00 0.00 H new ATOM 0 HH TYR A 23 3.313 6.207 11.167 1.00 0.00 H new ATOM 325 N PRO A 24 4.840 0.131 12.757 1.00 0.00 N ATOM 326 CA PRO A 24 4.146 -0.192 14.007 1.00 0.00 C ATOM 327 C PRO A 24 2.672 0.196 13.969 1.00 0.00 C ATOM 328 O PRO A 24 2.329 1.348 13.706 1.00 0.00 O ATOM 329 CB PRO A 24 4.891 0.643 15.052 1.00 0.00 C ATOM 330 CG PRO A 24 5.470 1.781 14.284 1.00 0.00 C ATOM 331 CD PRO A 24 5.797 1.239 12.921 1.00 0.00 C ATOM 0 HA PRO A 24 4.153 -1.263 14.212 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.216 0.995 15.832 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.670 0.060 15.543 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.761 2.606 14.216 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.363 2.168 14.774 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.672 1.996 12.147 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.828 0.891 12.863 1.00 0.00 H new ATOM 339 N GLY A 25 1.801 -0.775 14.232 1.00 0.00 N ATOM 340 CA GLY A 25 0.375 -0.514 14.221 1.00 0.00 C ATOM 341 C GLY A 25 -0.290 -0.977 12.940 1.00 0.00 C ATOM 342 O GLY A 25 -1.479 -1.299 12.929 1.00 0.00 O ATOM 0 H GLY A 25 2.059 -1.737 14.452 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.090 -1.016 15.070 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.203 0.555 14.350 1.00 0.00 H new ATOM 346 N VAL A 26 0.477 -1.008 11.855 1.00 0.00 N ATOM 347 CA VAL A 26 -0.045 -1.435 10.562 1.00 0.00 C ATOM 348 C VAL A 26 0.013 -2.951 10.418 1.00 0.00 C ATOM 349 O VAL A 26 1.093 -3.540 10.361 1.00 0.00 O ATOM 350 CB VAL A 26 0.737 -0.789 9.402 1.00 0.00 C ATOM 351 CG1 VAL A 26 0.062 -1.090 8.071 1.00 0.00 C ATOM 352 CG2 VAL A 26 0.868 0.711 9.616 1.00 0.00 C ATOM 0 H VAL A 26 1.462 -0.743 11.846 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.084 -1.110 10.517 1.00 0.00 H new ATOM 0 HB VAL A 26 1.739 -1.217 9.380 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.628 -0.626 7.263 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.027 -2.168 7.917 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.952 -0.691 8.079 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.423 1.150 8.787 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.124 1.159 9.666 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.399 0.900 10.549 1.00 0.00 H new ATOM 362 N HIS A 27 -1.157 -3.579 10.358 1.00 0.00 N ATOM 363 CA HIS A 27 -1.240 -5.029 10.220 1.00 0.00 C ATOM 364 C HIS A 27 -2.215 -5.414 9.112 1.00 0.00 C ATOM 365 O HIS A 27 -3.428 -5.448 9.323 1.00 0.00 O ATOM 366 CB HIS A 27 -1.674 -5.665 11.541 1.00 0.00 C ATOM 367 CG HIS A 27 -1.336 -7.120 11.645 1.00 0.00 C ATOM 368 ND1 HIS A 27 -1.090 -7.751 12.846 1.00 0.00 N ATOM 369 CD2 HIS A 27 -1.205 -8.069 10.690 1.00 0.00 C ATOM 370 CE1 HIS A 27 -0.820 -9.026 12.624 1.00 0.00 C ATOM 371 NE2 HIS A 27 -0.885 -9.244 11.323 1.00 0.00 N ATOM 0 H HIS A 27 -2.060 -3.107 10.403 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.250 -5.401 9.955 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.201 -5.131 12.365 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -2.751 -5.541 11.658 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -1.329 -7.928 9.626 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.586 -9.763 13.378 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -0.724 -10.140 10.863 1.00 0.00 H new ATOM 380 N VAL A 28 -1.679 -5.702 7.931 1.00 0.00 N ATOM 381 CA VAL A 28 -2.501 -6.085 6.790 1.00 0.00 C ATOM 382 C VAL A 28 -2.921 -7.547 6.882 1.00 0.00 C ATOM 383 O VAL A 28 -2.122 -8.450 6.633 1.00 0.00 O ATOM 384 CB VAL A 28 -1.757 -5.858 5.461 1.00 0.00 C ATOM 385 CG1 VAL A 28 -2.562 -6.416 4.297 1.00 0.00 C ATOM 386 CG2 VAL A 28 -1.469 -4.378 5.258 1.00 0.00 C ATOM 0 H VAL A 28 -0.678 -5.677 7.739 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.389 -5.453 6.813 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.806 -6.388 5.502 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.021 -6.247 3.366 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.713 -7.486 4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.529 -5.916 4.251 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.943 -4.236 4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.408 -3.824 5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.850 -4.012 6.077 1.00 0.00 H new ATOM 396 N SER A 29 -4.182 -7.774 7.238 1.00 0.00 N ATOM 397 CA SER A 29 -4.708 -9.128 7.365 1.00 0.00 C ATOM 398 C SER A 29 -5.715 -9.426 6.258 1.00 0.00 C ATOM 399 O SER A 29 -5.994 -10.586 5.954 1.00 0.00 O ATOM 400 CB SER A 29 -5.367 -9.316 8.733 1.00 0.00 C ATOM 401 OG SER A 29 -6.547 -8.537 8.842 1.00 0.00 O ATOM 0 H SER A 29 -4.858 -7.038 7.443 1.00 0.00 H new ATOM 0 HA SER A 29 -3.875 -9.825 7.272 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.607 -10.369 8.883 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.667 -9.034 9.519 1.00 0.00 H new ATOM 0 HG SER A 29 -7.323 -9.084 8.599 1.00 0.00 H new ATOM 407 N ASP A 30 -6.254 -8.371 5.659 1.00 0.00 N ATOM 408 CA ASP A 30 -7.230 -8.517 4.584 1.00 0.00 C ATOM 409 C ASP A 30 -7.361 -7.222 3.789 1.00 0.00 C ATOM 410 O ASP A 30 -7.439 -6.135 4.361 1.00 0.00 O ATOM 411 CB ASP A 30 -8.591 -8.921 5.154 1.00 0.00 C ATOM 412 CG ASP A 30 -8.487 -10.056 6.154 1.00 0.00 C ATOM 413 OD1 ASP A 30 -8.288 -9.772 7.354 1.00 0.00 O ATOM 414 OD2 ASP A 30 -8.605 -11.226 5.736 1.00 0.00 O ATOM 0 H ASP A 30 -6.032 -7.405 5.899 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.879 -9.300 3.912 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.051 -8.058 5.635 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.249 -9.219 4.338 1.00 0.00 H new ATOM 419 N LEU A 31 -7.383 -7.346 2.467 1.00 0.00 N ATOM 420 CA LEU A 31 -7.503 -6.186 1.592 1.00 0.00 C ATOM 421 C LEU A 31 -8.950 -5.708 1.516 1.00 0.00 C ATOM 422 O LEU A 31 -9.517 -5.584 0.431 1.00 0.00 O ATOM 423 CB LEU A 31 -6.992 -6.524 0.190 1.00 0.00 C ATOM 424 CG LEU A 31 -5.505 -6.268 -0.062 1.00 0.00 C ATOM 425 CD1 LEU A 31 -4.655 -7.270 0.703 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.199 -6.334 -1.551 1.00 0.00 C ATOM 0 H LEU A 31 -7.319 -8.239 1.977 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.896 -5.383 2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.197 -7.576 -0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.567 -5.947 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.261 -5.268 0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.600 -7.073 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.854 -7.176 1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.900 -8.280 0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.137 -6.150 -1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.458 -7.322 -1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.783 -5.578 -2.076 1.00 0.00 H new ATOM 438 N SER A 32 -9.540 -5.439 2.676 1.00 0.00 N ATOM 439 CA SER A 32 -10.921 -4.977 2.742 1.00 0.00 C ATOM 440 C SER A 32 -11.032 -3.718 3.598 1.00 0.00 C ATOM 441 O SER A 32 -11.475 -2.671 3.128 1.00 0.00 O ATOM 442 CB SER A 32 -11.823 -6.075 3.310 1.00 0.00 C ATOM 443 OG SER A 32 -13.172 -5.647 3.368 1.00 0.00 O ATOM 0 H SER A 32 -9.083 -5.533 3.583 1.00 0.00 H new ATOM 0 HA SER A 32 -11.247 -4.738 1.730 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.748 -6.968 2.690 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.482 -6.350 4.308 1.00 0.00 H new ATOM 0 HG SER A 32 -13.728 -6.367 3.733 1.00 0.00 H new ATOM 449 N SER A 33 -10.627 -3.831 4.860 1.00 0.00 N ATOM 450 CA SER A 33 -10.684 -2.704 5.783 1.00 0.00 C ATOM 451 C SER A 33 -9.306 -2.413 6.370 1.00 0.00 C ATOM 452 O SER A 33 -9.048 -1.313 6.858 1.00 0.00 O ATOM 453 CB SER A 33 -11.679 -2.991 6.910 1.00 0.00 C ATOM 454 OG SER A 33 -11.353 -4.193 7.586 1.00 0.00 O ATOM 0 H SER A 33 -10.257 -4.691 5.265 1.00 0.00 H new ATOM 0 HA SER A 33 -11.017 -1.827 5.227 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.681 -2.162 7.617 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.686 -3.063 6.500 1.00 0.00 H new ATOM 0 HG SER A 33 -12.003 -4.352 8.302 1.00 0.00 H new ATOM 460 N SER A 34 -8.425 -3.406 6.318 1.00 0.00 N ATOM 461 CA SER A 34 -7.074 -3.258 6.846 1.00 0.00 C ATOM 462 C SER A 34 -6.352 -2.095 6.175 1.00 0.00 C ATOM 463 O SER A 34 -5.437 -1.504 6.748 1.00 0.00 O ATOM 464 CB SER A 34 -6.281 -4.551 6.644 1.00 0.00 C ATOM 465 OG SER A 34 -5.318 -4.724 7.670 1.00 0.00 O ATOM 0 H SER A 34 -8.622 -4.322 5.915 1.00 0.00 H new ATOM 0 HA SER A 34 -7.149 -3.048 7.913 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.963 -5.402 6.633 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.784 -4.529 5.674 1.00 0.00 H new ATOM 0 HG SER A 34 -5.661 -5.354 8.338 1.00 0.00 H new ATOM 471 N TRP A 35 -6.769 -1.773 4.956 1.00 0.00 N ATOM 472 CA TRP A 35 -6.162 -0.680 4.205 1.00 0.00 C ATOM 473 C TRP A 35 -7.029 0.573 4.272 1.00 0.00 C ATOM 474 O TRP A 35 -6.601 1.657 3.875 1.00 0.00 O ATOM 475 CB TRP A 35 -5.950 -1.092 2.747 1.00 0.00 C ATOM 476 CG TRP A 35 -5.049 -2.279 2.590 1.00 0.00 C ATOM 477 CD1 TRP A 35 -5.358 -3.582 2.858 1.00 0.00 C ATOM 478 CD2 TRP A 35 -3.693 -2.271 2.132 1.00 0.00 C ATOM 479 NE1 TRP A 35 -4.275 -4.385 2.593 1.00 0.00 N ATOM 480 CE2 TRP A 35 -3.241 -3.605 2.146 1.00 0.00 C ATOM 481 CE3 TRP A 35 -2.817 -1.268 1.709 1.00 0.00 C ATOM 482 CZ2 TRP A 35 -1.953 -3.959 1.755 1.00 0.00 C ATOM 483 CZ3 TRP A 35 -1.538 -1.620 1.321 1.00 0.00 C ATOM 484 CH2 TRP A 35 -1.116 -2.957 1.345 1.00 0.00 C ATOM 0 H TRP A 35 -7.525 -2.253 4.467 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.195 -0.455 4.655 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -6.917 -1.317 2.296 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.529 -0.250 2.197 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.313 -3.930 3.224 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.246 -5.398 2.710 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.134 -0.236 1.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.626 -4.988 1.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.852 -0.853 0.994 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.111 -3.201 1.034 1.00 0.00 H new ATOM 495 N ALA A 36 -8.249 0.418 4.775 1.00 0.00 N ATOM 496 CA ALA A 36 -9.174 1.538 4.896 1.00 0.00 C ATOM 497 C ALA A 36 -8.628 2.603 5.841 1.00 0.00 C ATOM 498 O ALA A 36 -8.719 3.798 5.564 1.00 0.00 O ATOM 499 CB ALA A 36 -10.533 1.051 5.375 1.00 0.00 C ATOM 0 H ALA A 36 -8.620 -0.473 5.105 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.289 1.989 3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.214 1.898 5.461 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.935 0.333 4.660 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.426 0.572 6.348 1.00 0.00 H new ATOM 505 N ASP A 37 -8.061 2.160 6.957 1.00 0.00 N ATOM 506 CA ASP A 37 -7.499 3.076 7.945 1.00 0.00 C ATOM 507 C ASP A 37 -6.725 4.201 7.264 1.00 0.00 C ATOM 508 O ASP A 37 -7.023 5.378 7.456 1.00 0.00 O ATOM 509 CB ASP A 37 -6.583 2.320 8.910 1.00 0.00 C ATOM 510 CG ASP A 37 -7.297 1.184 9.615 1.00 0.00 C ATOM 511 OD1 ASP A 37 -8.481 1.357 9.972 1.00 0.00 O ATOM 512 OD2 ASP A 37 -6.671 0.121 9.810 1.00 0.00 O ATOM 0 H ASP A 37 -7.978 1.173 7.201 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.323 3.515 8.508 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.729 1.923 8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.190 3.014 9.652 1.00 0.00 H new ATOM 517 N GLY A 38 -5.727 3.827 6.467 1.00 0.00 N ATOM 518 CA GLY A 38 -4.924 4.816 5.771 1.00 0.00 C ATOM 519 C GLY A 38 -3.437 4.568 5.925 1.00 0.00 C ATOM 520 O GLY A 38 -2.683 4.649 4.955 1.00 0.00 O ATOM 0 H GLY A 38 -5.461 2.858 6.291 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.183 4.809 4.712 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.165 5.808 6.152 1.00 0.00 H new ATOM 524 N LEU A 39 -3.013 4.268 7.148 1.00 0.00 N ATOM 525 CA LEU A 39 -1.604 4.009 7.426 1.00 0.00 C ATOM 526 C LEU A 39 -1.055 2.928 6.500 1.00 0.00 C ATOM 527 O LEU A 39 0.010 3.089 5.905 1.00 0.00 O ATOM 528 CB LEU A 39 -1.422 3.586 8.885 1.00 0.00 C ATOM 529 CG LEU A 39 -1.168 4.716 9.884 1.00 0.00 C ATOM 530 CD1 LEU A 39 -1.254 4.197 11.310 1.00 0.00 C ATOM 531 CD2 LEU A 39 0.188 5.358 9.629 1.00 0.00 C ATOM 0 H LEU A 39 -3.624 4.198 7.962 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.049 4.930 7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.314 3.044 9.199 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.588 2.886 8.938 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.939 5.475 9.749 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.071 5.015 12.007 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.247 3.785 11.488 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.506 3.418 11.460 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.352 6.160 10.349 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.972 4.608 9.736 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.213 5.767 8.619 1.00 0.00 H new ATOM 543 N ALA A 40 -1.791 1.828 6.381 1.00 0.00 N ATOM 544 CA ALA A 40 -1.381 0.723 5.524 1.00 0.00 C ATOM 545 C ALA A 40 -0.639 1.231 4.292 1.00 0.00 C ATOM 546 O ALA A 40 0.563 1.006 4.142 1.00 0.00 O ATOM 547 CB ALA A 40 -2.591 -0.102 5.110 1.00 0.00 C ATOM 0 H ALA A 40 -2.675 1.679 6.868 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.700 0.089 6.092 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.269 -0.924 4.470 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.079 -0.503 5.998 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.292 0.529 4.565 1.00 0.00 H new ATOM 553 N LEU A 41 -1.361 1.915 3.411 1.00 0.00 N ATOM 554 CA LEU A 41 -0.772 2.454 2.191 1.00 0.00 C ATOM 555 C LEU A 41 0.479 3.269 2.505 1.00 0.00 C ATOM 556 O LEU A 41 1.465 3.220 1.769 1.00 0.00 O ATOM 557 CB LEU A 41 -1.789 3.323 1.451 1.00 0.00 C ATOM 558 CG LEU A 41 -2.667 2.604 0.425 1.00 0.00 C ATOM 559 CD1 LEU A 41 -3.892 3.441 0.091 1.00 0.00 C ATOM 560 CD2 LEU A 41 -1.870 2.295 -0.834 1.00 0.00 C ATOM 0 H LEU A 41 -2.356 2.109 3.519 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.487 1.617 1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.439 3.795 2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.251 4.123 0.942 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.004 1.662 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.505 2.914 -0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.474 3.612 0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.576 4.399 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.510 1.784 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.504 3.224 -1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.024 1.655 -0.581 1.00 0.00 H new ATOM 572 N CYS A 42 0.432 4.016 3.602 1.00 0.00 N ATOM 573 CA CYS A 42 1.562 4.840 4.015 1.00 0.00 C ATOM 574 C CYS A 42 2.788 3.979 4.298 1.00 0.00 C ATOM 575 O CYS A 42 3.891 4.285 3.846 1.00 0.00 O ATOM 576 CB CYS A 42 1.199 5.656 5.257 1.00 0.00 C ATOM 577 SG CYS A 42 -0.378 6.532 5.128 1.00 0.00 S ATOM 0 H CYS A 42 -0.377 4.068 4.222 1.00 0.00 H new ATOM 0 HA CYS A 42 1.800 5.522 3.198 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.163 4.990 6.119 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.991 6.381 5.447 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.289 5.721 4.678 1.00 0.00 H new ATOM 583 N ALA A 43 2.589 2.903 5.052 1.00 0.00 N ATOM 584 CA ALA A 43 3.678 1.998 5.394 1.00 0.00 C ATOM 585 C ALA A 43 4.247 1.326 4.149 1.00 0.00 C ATOM 586 O ALA A 43 5.461 1.316 3.937 1.00 0.00 O ATOM 587 CB ALA A 43 3.201 0.951 6.390 1.00 0.00 C ATOM 0 H ALA A 43 1.683 2.637 5.438 1.00 0.00 H new ATOM 0 HA ALA A 43 4.474 2.585 5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.025 0.281 6.637 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.850 1.444 7.297 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.385 0.376 5.951 1.00 0.00 H new ATOM 593 N LEU A 44 3.366 0.766 3.330 1.00 0.00 N ATOM 594 CA LEU A 44 3.779 0.091 2.105 1.00 0.00 C ATOM 595 C LEU A 44 4.677 0.993 1.264 1.00 0.00 C ATOM 596 O LEU A 44 5.679 0.545 0.706 1.00 0.00 O ATOM 597 CB LEU A 44 2.555 -0.331 1.292 1.00 0.00 C ATOM 598 CG LEU A 44 2.813 -0.695 -0.171 1.00 0.00 C ATOM 599 CD1 LEU A 44 3.399 -2.094 -0.277 1.00 0.00 C ATOM 600 CD2 LEU A 44 1.529 -0.590 -0.981 1.00 0.00 C ATOM 0 H LEU A 44 2.359 0.766 3.492 1.00 0.00 H new ATOM 0 HA LEU A 44 4.345 -0.798 2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.096 -1.189 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.827 0.480 1.321 1.00 0.00 H new ATOM 0 HG LEU A 44 3.536 0.012 -0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.576 -2.336 -1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.341 -2.136 0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.700 -2.814 0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.731 -0.852 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.784 -1.273 -0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.150 0.431 -0.932 1.00 0.00 H new ATOM 612 N VAL A 45 4.311 2.268 1.178 1.00 0.00 N ATOM 613 CA VAL A 45 5.085 3.235 0.406 1.00 0.00 C ATOM 614 C VAL A 45 6.398 3.569 1.104 1.00 0.00 C ATOM 615 O VAL A 45 7.478 3.357 0.552 1.00 0.00 O ATOM 616 CB VAL A 45 4.291 4.535 0.179 1.00 0.00 C ATOM 617 CG1 VAL A 45 5.141 5.557 -0.560 1.00 0.00 C ATOM 618 CG2 VAL A 45 3.006 4.248 -0.582 1.00 0.00 C ATOM 0 H VAL A 45 3.484 2.656 1.633 1.00 0.00 H new ATOM 0 HA VAL A 45 5.297 2.774 -0.559 1.00 0.00 H new ATOM 0 HB VAL A 45 4.025 4.953 1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.564 6.469 -0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.030 5.784 0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.439 5.151 -1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.458 5.178 -0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.247 3.807 -1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.391 3.553 -0.009 1.00 0.00 H new ATOM 628 N TYR A 46 6.299 4.092 2.321 1.00 0.00 N ATOM 629 CA TYR A 46 7.479 4.458 3.095 1.00 0.00 C ATOM 630 C TYR A 46 8.502 3.327 3.096 1.00 0.00 C ATOM 631 O TYR A 46 9.692 3.550 2.869 1.00 0.00 O ATOM 632 CB TYR A 46 7.086 4.807 4.531 1.00 0.00 C ATOM 633 CG TYR A 46 6.572 6.220 4.692 1.00 0.00 C ATOM 634 CD1 TYR A 46 7.372 7.311 4.374 1.00 0.00 C ATOM 635 CD2 TYR A 46 5.288 6.464 5.163 1.00 0.00 C ATOM 636 CE1 TYR A 46 6.909 8.604 4.521 1.00 0.00 C ATOM 637 CE2 TYR A 46 4.816 7.754 5.312 1.00 0.00 C ATOM 638 CZ TYR A 46 5.630 8.820 4.989 1.00 0.00 C ATOM 639 OH TYR A 46 5.163 10.106 5.137 1.00 0.00 O ATOM 0 H TYR A 46 5.413 4.272 2.793 1.00 0.00 H new ATOM 0 HA TYR A 46 7.932 5.332 2.627 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.319 4.110 4.869 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.951 4.668 5.179 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.373 7.145 4.005 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.648 5.632 5.417 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.545 9.441 4.271 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.815 7.927 5.679 1.00 0.00 H new ATOM 0 HH TYR A 46 4.557 10.321 4.397 1.00 0.00 H new ATOM 649 N ARG A 47 8.029 2.112 3.354 1.00 0.00 N ATOM 650 CA ARG A 47 8.902 0.943 3.385 1.00 0.00 C ATOM 651 C ARG A 47 9.540 0.704 2.020 1.00 0.00 C ATOM 652 O ARG A 47 10.763 0.743 1.879 1.00 0.00 O ATOM 653 CB ARG A 47 8.115 -0.296 3.818 1.00 0.00 C ATOM 654 CG ARG A 47 8.051 -0.481 5.325 1.00 0.00 C ATOM 655 CD ARG A 47 9.303 -1.164 5.856 1.00 0.00 C ATOM 656 NE ARG A 47 10.337 -0.201 6.223 1.00 0.00 N ATOM 657 CZ ARG A 47 11.631 -0.499 6.281 1.00 0.00 C ATOM 658 NH1 ARG A 47 12.045 -1.726 5.995 1.00 0.00 N ATOM 659 NH2 ARG A 47 12.512 0.431 6.622 1.00 0.00 N ATOM 0 H ARG A 47 7.047 1.911 3.544 1.00 0.00 H new ATOM 0 HA ARG A 47 9.695 1.132 4.108 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.100 -0.227 3.426 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.570 -1.180 3.371 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.932 0.489 5.807 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.174 -1.075 5.583 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.045 -1.768 6.726 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.693 -1.845 5.099 1.00 0.00 H new ATOM 0 HE ARG A 47 10.051 0.752 6.447 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.370 -2.443 5.730 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.039 -1.953 6.040 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.197 1.376 6.840 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.505 0.201 6.666 1.00 0.00 H new ATOM 673 N LEU A 48 8.703 0.455 1.019 1.00 0.00 N ATOM 674 CA LEU A 48 9.186 0.208 -0.336 1.00 0.00 C ATOM 675 C LEU A 48 10.434 1.034 -0.629 1.00 0.00 C ATOM 676 O LEU A 48 11.372 0.553 -1.264 1.00 0.00 O ATOM 677 CB LEU A 48 8.092 0.535 -1.355 1.00 0.00 C ATOM 678 CG LEU A 48 7.096 -0.585 -1.655 1.00 0.00 C ATOM 679 CD1 LEU A 48 5.933 -0.058 -2.480 1.00 0.00 C ATOM 680 CD2 LEU A 48 7.786 -1.734 -2.376 1.00 0.00 C ATOM 0 H LEU A 48 7.689 0.419 1.119 1.00 0.00 H new ATOM 0 HA LEU A 48 9.446 -0.848 -0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.536 1.401 -0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.570 0.828 -2.290 1.00 0.00 H new ATOM 0 HG LEU A 48 6.704 -0.959 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.234 -0.869 -2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.422 0.730 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.307 0.344 -3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.062 -2.522 -2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.207 -1.374 -3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.585 -2.130 -1.749 1.00 0.00 H new ATOM 692 N GLN A 49 10.438 2.277 -0.161 1.00 0.00 N ATOM 693 CA GLN A 49 11.572 3.169 -0.372 1.00 0.00 C ATOM 694 C GLN A 49 11.975 3.854 0.930 1.00 0.00 C ATOM 695 O GLN A 49 11.400 4.866 1.330 1.00 0.00 O ATOM 696 CB GLN A 49 11.232 4.220 -1.431 1.00 0.00 C ATOM 697 CG GLN A 49 11.581 3.790 -2.847 1.00 0.00 C ATOM 698 CD GLN A 49 11.166 4.815 -3.886 1.00 0.00 C ATOM 699 OE1 GLN A 49 10.429 4.503 -4.821 1.00 0.00 O ATOM 700 NE2 GLN A 49 11.640 6.045 -3.726 1.00 0.00 N ATOM 0 H GLN A 49 9.669 2.690 0.367 1.00 0.00 H new ATOM 0 HA GLN A 49 12.413 2.570 -0.722 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.166 4.444 -1.380 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.763 5.143 -1.199 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.656 3.621 -2.917 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.094 2.839 -3.065 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.248 6.258 -2.935 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.396 6.776 -4.394 1.00 0.00 H new ATOM 709 N PRO A 50 12.987 3.291 1.606 1.00 0.00 N ATOM 710 CA PRO A 50 13.490 3.831 2.873 1.00 0.00 C ATOM 711 C PRO A 50 14.222 5.156 2.688 1.00 0.00 C ATOM 712 O PRO A 50 14.624 5.795 3.659 1.00 0.00 O ATOM 713 CB PRO A 50 14.456 2.750 3.361 1.00 0.00 C ATOM 714 CG PRO A 50 14.895 2.046 2.123 1.00 0.00 C ATOM 715 CD PRO A 50 13.718 2.083 1.188 1.00 0.00 C ATOM 0 HA PRO A 50 12.683 4.047 3.573 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.303 3.186 3.890 1.00 0.00 H new ATOM 0 HB3 PRO A 50 13.966 2.065 4.053 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.761 2.538 1.680 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.189 1.019 2.341 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.034 2.145 0.147 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.102 1.188 1.282 1.00 0.00 H new ATOM 723 N GLY A 51 14.391 5.563 1.433 1.00 0.00 N ATOM 724 CA GLY A 51 15.075 6.810 1.145 1.00 0.00 C ATOM 725 C GLY A 51 14.153 8.011 1.234 1.00 0.00 C ATOM 726 O GLY A 51 14.590 9.117 1.557 1.00 0.00 O ATOM 0 H GLY A 51 14.067 5.052 0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.901 6.938 1.844 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.508 6.761 0.146 1.00 0.00 H new ATOM 730 N LEU A 52 12.874 7.796 0.944 1.00 0.00 N ATOM 731 CA LEU A 52 11.888 8.869 0.991 1.00 0.00 C ATOM 732 C LEU A 52 11.672 9.348 2.424 1.00 0.00 C ATOM 733 O LEU A 52 11.892 8.602 3.378 1.00 0.00 O ATOM 734 CB LEU A 52 10.561 8.397 0.394 1.00 0.00 C ATOM 735 CG LEU A 52 10.384 8.622 -1.109 1.00 0.00 C ATOM 736 CD1 LEU A 52 9.503 7.538 -1.709 1.00 0.00 C ATOM 737 CD2 LEU A 52 9.796 10.000 -1.376 1.00 0.00 C ATOM 0 H LEU A 52 12.496 6.888 0.674 1.00 0.00 H new ATOM 0 HA LEU A 52 12.268 9.703 0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.453 7.332 0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.750 8.905 0.915 1.00 0.00 H new ATOM 0 HG LEU A 52 11.364 8.570 -1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.388 7.714 -2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.965 6.564 -1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.524 7.558 -1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.677 10.143 -2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.824 10.081 -0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.465 10.764 -0.980 1.00 0.00 H new ATOM 749 N LEU A 53 11.238 10.596 2.566 1.00 0.00 N ATOM 750 CA LEU A 53 10.989 11.174 3.882 1.00 0.00 C ATOM 751 C LEU A 53 10.231 10.194 4.772 1.00 0.00 C ATOM 752 O LEU A 53 9.727 9.176 4.301 1.00 0.00 O ATOM 753 CB LEU A 53 10.198 12.476 3.748 1.00 0.00 C ATOM 754 CG LEU A 53 8.761 12.339 3.241 1.00 0.00 C ATOM 755 CD1 LEU A 53 8.672 11.263 2.170 1.00 0.00 C ATOM 756 CD2 LEU A 53 7.818 12.026 4.394 1.00 0.00 C ATOM 0 H LEU A 53 11.051 11.227 1.786 1.00 0.00 H new ATOM 0 HA LEU A 53 11.952 11.388 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.173 12.965 4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.739 13.139 3.072 1.00 0.00 H new ATOM 0 HG LEU A 53 8.460 13.288 2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.642 11.180 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.318 11.528 1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.992 10.308 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.800 11.932 4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.118 11.090 4.866 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.860 12.832 5.127 1.00 0.00 H new ATOM 768 N GLU A 54 10.154 10.512 6.061 1.00 0.00 N ATOM 769 CA GLU A 54 9.456 9.660 7.016 1.00 0.00 C ATOM 770 C GLU A 54 8.144 10.301 7.459 1.00 0.00 C ATOM 771 O GLU A 54 7.973 11.519 7.415 1.00 0.00 O ATOM 772 CB GLU A 54 10.341 9.390 8.234 1.00 0.00 C ATOM 773 CG GLU A 54 11.518 8.475 7.941 1.00 0.00 C ATOM 774 CD GLU A 54 12.666 8.670 8.913 1.00 0.00 C ATOM 775 OE1 GLU A 54 12.589 8.129 10.037 1.00 0.00 O ATOM 776 OE2 GLU A 54 13.640 9.361 8.551 1.00 0.00 O ATOM 0 H GLU A 54 10.566 11.352 6.467 1.00 0.00 H new ATOM 0 HA GLU A 54 9.230 8.714 6.523 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.716 10.339 8.617 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.734 8.945 9.022 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.186 7.438 7.981 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.871 8.658 6.926 1.00 0.00 H new ATOM 783 N PRO A 55 7.194 9.461 7.898 1.00 0.00 N ATOM 784 CA PRO A 55 5.881 9.923 8.358 1.00 0.00 C ATOM 785 C PRO A 55 5.962 10.677 9.680 1.00 0.00 C ATOM 786 O PRO A 55 5.700 10.115 10.744 1.00 0.00 O ATOM 787 CB PRO A 55 5.089 8.624 8.530 1.00 0.00 C ATOM 788 CG PRO A 55 6.124 7.579 8.774 1.00 0.00 C ATOM 789 CD PRO A 55 7.329 7.998 7.979 1.00 0.00 C ATOM 0 HA PRO A 55 5.428 10.625 7.659 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.392 8.693 9.365 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.500 8.398 7.641 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.362 7.506 9.835 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.770 6.598 8.458 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.256 7.707 8.472 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.337 7.540 6.990 1.00 0.00 H new ATOM 797 N SER A 56 6.325 11.954 9.606 1.00 0.00 N ATOM 798 CA SER A 56 6.443 12.784 10.799 1.00 0.00 C ATOM 799 C SER A 56 5.069 13.235 11.286 1.00 0.00 C ATOM 800 O SER A 56 4.827 13.331 12.489 1.00 0.00 O ATOM 801 CB SER A 56 7.319 14.005 10.511 1.00 0.00 C ATOM 802 OG SER A 56 7.697 14.657 11.712 1.00 0.00 O ATOM 0 H SER A 56 6.542 12.436 8.733 1.00 0.00 H new ATOM 0 HA SER A 56 6.909 12.186 11.582 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.211 13.696 9.965 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.778 14.701 9.870 1.00 0.00 H new ATOM 0 HG SER A 56 8.257 15.433 11.501 1.00 0.00 H new ATOM 808 N GLU A 57 4.174 13.507 10.343 1.00 0.00 N ATOM 809 CA GLU A 57 2.823 13.948 10.676 1.00 0.00 C ATOM 810 C GLU A 57 1.842 12.781 10.624 1.00 0.00 C ATOM 811 O GLU A 57 1.019 12.606 11.524 1.00 0.00 O ATOM 812 CB GLU A 57 2.373 15.051 9.716 1.00 0.00 C ATOM 813 CG GLU A 57 3.349 16.212 9.621 1.00 0.00 C ATOM 814 CD GLU A 57 2.939 17.235 8.580 1.00 0.00 C ATOM 815 OE1 GLU A 57 2.721 16.842 7.414 1.00 0.00 O ATOM 816 OE2 GLU A 57 2.835 18.429 8.931 1.00 0.00 O ATOM 0 H GLU A 57 4.358 13.430 9.343 1.00 0.00 H new ATOM 0 HA GLU A 57 2.836 14.343 11.692 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.234 14.622 8.723 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.403 15.429 10.039 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.424 16.699 10.593 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.340 15.829 9.378 1.00 0.00 H new ATOM 823 N LEU A 58 1.935 11.985 9.565 1.00 0.00 N ATOM 824 CA LEU A 58 1.055 10.833 9.393 1.00 0.00 C ATOM 825 C LEU A 58 0.880 10.082 10.709 1.00 0.00 C ATOM 826 O LEU A 58 -0.125 9.403 10.917 1.00 0.00 O ATOM 827 CB LEU A 58 1.616 9.892 8.326 1.00 0.00 C ATOM 828 CG LEU A 58 1.289 10.252 6.876 1.00 0.00 C ATOM 829 CD1 LEU A 58 2.051 11.497 6.449 1.00 0.00 C ATOM 830 CD2 LEU A 58 1.610 9.085 5.952 1.00 0.00 C ATOM 0 H LEU A 58 2.611 12.115 8.812 1.00 0.00 H new ATOM 0 HA LEU A 58 0.079 11.197 9.070 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.700 9.856 8.435 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.242 8.887 8.523 1.00 0.00 H new ATOM 0 HG LEU A 58 0.222 10.463 6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.805 11.737 5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.772 12.332 7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.122 11.315 6.534 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.371 9.358 4.924 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.670 8.843 6.026 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.019 8.217 6.243 1.00 0.00 H new ATOM 842 N GLN A 59 1.864 10.209 11.593 1.00 0.00 N ATOM 843 CA GLN A 59 1.817 9.542 12.889 1.00 0.00 C ATOM 844 C GLN A 59 0.493 9.817 13.595 1.00 0.00 C ATOM 845 O GLN A 59 -0.161 8.900 14.087 1.00 0.00 O ATOM 846 CB GLN A 59 2.982 10.005 13.766 1.00 0.00 C ATOM 847 CG GLN A 59 4.264 9.218 13.539 1.00 0.00 C ATOM 848 CD GLN A 59 5.332 9.534 14.568 1.00 0.00 C ATOM 849 OE1 GLN A 59 5.118 10.340 15.474 1.00 0.00 O ATOM 850 NE2 GLN A 59 6.491 8.900 14.432 1.00 0.00 N ATOM 0 H GLN A 59 2.703 10.767 11.436 1.00 0.00 H new ATOM 0 HA GLN A 59 1.902 8.468 12.721 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.174 11.060 13.573 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.694 9.920 14.814 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.041 8.151 13.568 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.649 9.436 12.543 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.624 8.240 13.666 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.248 9.073 15.094 1.00 0.00 H new ATOM 859 N GLY A 60 0.106 11.088 13.640 1.00 0.00 N ATOM 860 CA GLY A 60 -1.138 11.461 14.289 1.00 0.00 C ATOM 861 C GLY A 60 -2.083 12.189 13.354 1.00 0.00 C ATOM 862 O GLY A 60 -2.591 13.262 13.684 1.00 0.00 O ATOM 0 H GLY A 60 0.631 11.865 13.239 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.628 10.565 14.671 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.920 12.096 15.148 1.00 0.00 H new ATOM 866 N LEU A 61 -2.320 11.607 12.184 1.00 0.00 N ATOM 867 CA LEU A 61 -3.211 12.208 11.196 1.00 0.00 C ATOM 868 C LEU A 61 -4.522 11.432 11.102 1.00 0.00 C ATOM 869 O LEU A 61 -4.655 10.348 11.668 1.00 0.00 O ATOM 870 CB LEU A 61 -2.531 12.251 9.827 1.00 0.00 C ATOM 871 CG LEU A 61 -1.719 13.509 9.521 1.00 0.00 C ATOM 872 CD1 LEU A 61 -1.001 13.370 8.187 1.00 0.00 C ATOM 873 CD2 LEU A 61 -2.617 14.737 9.519 1.00 0.00 C ATOM 0 H LEU A 61 -1.908 10.720 11.895 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.435 13.226 11.516 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.871 11.388 9.744 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.297 12.141 9.059 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.970 13.633 10.303 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.428 14.275 7.986 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.327 12.515 8.224 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.733 13.220 7.394 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.021 15.623 9.299 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.390 14.622 8.759 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.084 14.848 10.497 1.00 0.00 H new ATOM 885 N GLY A 62 -5.487 11.996 10.382 1.00 0.00 N ATOM 886 CA GLY A 62 -6.773 11.343 10.224 1.00 0.00 C ATOM 887 C GLY A 62 -6.719 10.184 9.249 1.00 0.00 C ATOM 888 O GLY A 62 -5.947 10.206 8.290 1.00 0.00 O ATOM 0 H GLY A 62 -5.401 12.894 9.905 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.115 10.982 11.194 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.507 12.071 9.878 1.00 0.00 H new ATOM 892 N ALA A 63 -7.540 9.168 9.495 1.00 0.00 N ATOM 893 CA ALA A 63 -7.583 7.995 8.630 1.00 0.00 C ATOM 894 C ALA A 63 -7.385 8.382 7.169 1.00 0.00 C ATOM 895 O ALA A 63 -6.709 7.678 6.416 1.00 0.00 O ATOM 896 CB ALA A 63 -8.900 7.256 8.809 1.00 0.00 C ATOM 0 H ALA A 63 -8.184 9.134 10.285 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.766 7.333 8.916 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.919 6.382 8.157 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.000 6.937 9.846 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.727 7.918 8.552 1.00 0.00 H new ATOM 902 N LEU A 64 -7.977 9.503 6.774 1.00 0.00 N ATOM 903 CA LEU A 64 -7.865 9.983 5.400 1.00 0.00 C ATOM 904 C LEU A 64 -6.552 10.730 5.190 1.00 0.00 C ATOM 905 O LEU A 64 -5.805 10.440 4.255 1.00 0.00 O ATOM 906 CB LEU A 64 -9.045 10.897 5.062 1.00 0.00 C ATOM 907 CG LEU A 64 -9.515 10.875 3.607 1.00 0.00 C ATOM 908 CD1 LEU A 64 -9.816 9.452 3.165 1.00 0.00 C ATOM 909 CD2 LEU A 64 -10.739 11.761 3.429 1.00 0.00 C ATOM 0 H LEU A 64 -8.539 10.097 7.384 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.880 9.119 4.736 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.886 10.622 5.699 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.772 11.920 5.319 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.714 11.266 2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.149 9.456 2.127 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.915 8.845 3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.600 9.033 3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.060 11.733 2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.546 11.400 4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.490 12.786 3.705 1.00 0.00 H new ATOM 921 N GLU A 65 -6.277 11.691 6.066 1.00 0.00 N ATOM 922 CA GLU A 65 -5.052 12.478 5.975 1.00 0.00 C ATOM 923 C GLU A 65 -3.880 11.611 5.528 1.00 0.00 C ATOM 924 O GLU A 65 -3.091 12.009 4.670 1.00 0.00 O ATOM 925 CB GLU A 65 -4.736 13.127 7.324 1.00 0.00 C ATOM 926 CG GLU A 65 -5.386 14.486 7.515 1.00 0.00 C ATOM 927 CD GLU A 65 -4.850 15.529 6.553 1.00 0.00 C ATOM 928 OE1 GLU A 65 -3.729 16.029 6.784 1.00 0.00 O ATOM 929 OE2 GLU A 65 -5.552 15.845 5.570 1.00 0.00 O ATOM 0 H GLU A 65 -6.884 11.943 6.846 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.207 13.260 5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.064 12.462 8.123 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.656 13.234 7.422 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.463 14.392 7.379 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.222 14.823 8.539 1.00 0.00 H new ATOM 936 N ALA A 66 -3.772 10.424 6.114 1.00 0.00 N ATOM 937 CA ALA A 66 -2.697 9.498 5.775 1.00 0.00 C ATOM 938 C ALA A 66 -2.779 9.076 4.313 1.00 0.00 C ATOM 939 O ALA A 66 -1.944 9.464 3.495 1.00 0.00 O ATOM 940 CB ALA A 66 -2.745 8.279 6.684 1.00 0.00 C ATOM 0 H ALA A 66 -4.416 10.080 6.826 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.747 10.010 5.925 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.937 7.596 6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.630 8.594 7.721 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.702 7.772 6.563 1.00 0.00 H new ATOM 946 N THR A 67 -3.789 8.274 3.988 1.00 0.00 N ATOM 947 CA THR A 67 -3.978 7.796 2.625 1.00 0.00 C ATOM 948 C THR A 67 -3.577 8.858 1.608 1.00 0.00 C ATOM 949 O THR A 67 -2.955 8.555 0.591 1.00 0.00 O ATOM 950 CB THR A 67 -5.440 7.384 2.371 1.00 0.00 C ATOM 951 OG1 THR A 67 -5.869 6.452 3.371 1.00 0.00 O ATOM 952 CG2 THR A 67 -5.597 6.764 0.991 1.00 0.00 C ATOM 0 H THR A 67 -4.489 7.942 4.652 1.00 0.00 H new ATOM 0 HA THR A 67 -3.336 6.923 2.506 1.00 0.00 H new ATOM 0 HB THR A 67 -6.059 8.280 2.421 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.282 5.676 2.939 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.638 6.481 0.835 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.300 7.487 0.231 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.966 5.879 0.916 1.00 0.00 H new ATOM 960 N ALA A 68 -3.936 10.106 1.892 1.00 0.00 N ATOM 961 CA ALA A 68 -3.611 11.215 1.004 1.00 0.00 C ATOM 962 C ALA A 68 -2.139 11.187 0.608 1.00 0.00 C ATOM 963 O ALA A 68 -1.807 11.147 -0.577 1.00 0.00 O ATOM 964 CB ALA A 68 -3.957 12.541 1.666 1.00 0.00 C ATOM 0 H ALA A 68 -4.452 10.374 2.730 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.206 11.109 0.097 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.709 13.360 0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.023 12.567 1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.387 12.646 2.589 1.00 0.00 H new ATOM 970 N TRP A 69 -1.262 11.210 1.605 1.00 0.00 N ATOM 971 CA TRP A 69 0.176 11.188 1.359 1.00 0.00 C ATOM 972 C TRP A 69 0.564 9.983 0.508 1.00 0.00 C ATOM 973 O TRP A 69 1.114 10.133 -0.582 1.00 0.00 O ATOM 974 CB TRP A 69 0.940 11.160 2.683 1.00 0.00 C ATOM 975 CG TRP A 69 2.423 11.029 2.510 1.00 0.00 C ATOM 976 CD1 TRP A 69 3.318 12.042 2.315 1.00 0.00 C ATOM 977 CD2 TRP A 69 3.181 9.815 2.516 1.00 0.00 C ATOM 978 NE1 TRP A 69 4.588 11.531 2.199 1.00 0.00 N ATOM 979 CE2 TRP A 69 4.531 10.167 2.319 1.00 0.00 C ATOM 980 CE3 TRP A 69 2.854 8.466 2.671 1.00 0.00 C ATOM 981 CZ2 TRP A 69 5.549 9.218 2.273 1.00 0.00 C ATOM 982 CZ3 TRP A 69 3.863 7.525 2.623 1.00 0.00 C ATOM 983 CH2 TRP A 69 5.198 7.904 2.426 1.00 0.00 C ATOM 0 H TRP A 69 -1.521 11.244 2.591 1.00 0.00 H new ATOM 0 HA TRP A 69 0.441 12.094 0.814 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.725 12.074 3.238 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.577 10.328 3.286 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.065 13.090 2.260 1.00 0.00 H new ATOM 0 HE1 TRP A 69 5.436 12.078 2.048 1.00 0.00 H new ATOM 0 HE3 TRP A 69 1.829 8.164 2.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.578 9.508 2.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.620 6.479 2.739 1.00 0.00 H new ATOM 0 HH2 TRP A 69 5.965 7.144 2.394 1.00 0.00 H new ATOM 994 N ALA A 70 0.274 8.789 1.015 1.00 0.00 N ATOM 995 CA ALA A 70 0.592 7.559 0.299 1.00 0.00 C ATOM 996 C ALA A 70 0.352 7.718 -1.198 1.00 0.00 C ATOM 997 O ALA A 70 1.270 7.563 -2.004 1.00 0.00 O ATOM 998 CB ALA A 70 -0.230 6.403 0.849 1.00 0.00 C ATOM 0 H ALA A 70 -0.180 8.647 1.917 1.00 0.00 H new ATOM 0 HA ALA A 70 1.650 7.342 0.449 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.017 5.491 0.306 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.005 6.268 1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.291 6.621 0.728 1.00 0.00 H new ATOM 1004 N LEU A 71 -0.887 8.025 -1.565 1.00 0.00 N ATOM 1005 CA LEU A 71 -1.248 8.203 -2.968 1.00 0.00 C ATOM 1006 C LEU A 71 -0.340 9.230 -3.637 1.00 0.00 C ATOM 1007 O LEU A 71 -0.078 9.153 -4.838 1.00 0.00 O ATOM 1008 CB LEU A 71 -2.708 8.644 -3.087 1.00 0.00 C ATOM 1009 CG LEU A 71 -3.757 7.545 -2.911 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -5.099 8.145 -2.524 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -3.885 6.722 -4.185 1.00 0.00 C ATOM 0 H LEU A 71 -1.659 8.156 -0.911 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.121 7.246 -3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.894 9.419 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.850 9.101 -4.066 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.433 6.885 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.833 7.348 -2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.997 8.690 -1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.431 8.828 -3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.636 5.945 -4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.186 7.370 -5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.925 6.261 -4.418 1.00 0.00 H new ATOM 1023 N LYS A 72 0.141 10.188 -2.853 1.00 0.00 N ATOM 1024 CA LYS A 72 1.023 11.228 -3.368 1.00 0.00 C ATOM 1025 C LYS A 72 2.419 10.674 -3.634 1.00 0.00 C ATOM 1026 O LYS A 72 2.832 10.532 -4.786 1.00 0.00 O ATOM 1027 CB LYS A 72 1.106 12.392 -2.378 1.00 0.00 C ATOM 1028 CG LYS A 72 1.587 13.690 -3.003 1.00 0.00 C ATOM 1029 CD LYS A 72 1.878 14.744 -1.948 1.00 0.00 C ATOM 1030 CE LYS A 72 2.134 16.105 -2.576 1.00 0.00 C ATOM 1031 NZ LYS A 72 3.472 16.173 -3.225 1.00 0.00 N ATOM 0 H LYS A 72 -0.065 10.266 -1.857 1.00 0.00 H new ATOM 0 HA LYS A 72 0.608 11.588 -4.309 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.122 12.554 -1.937 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.779 12.119 -1.565 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.487 13.501 -3.588 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.831 14.064 -3.693 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.036 14.813 -1.259 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.746 14.443 -1.362 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.361 16.315 -3.315 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.062 16.878 -1.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.916 17.089 -3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.072 15.404 -2.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.364 16.074 -4.255 1.00 0.00 H new ATOM 1045 N VAL A 73 3.141 10.360 -2.564 1.00 0.00 N ATOM 1046 CA VAL A 73 4.491 9.820 -2.683 1.00 0.00 C ATOM 1047 C VAL A 73 4.519 8.619 -3.622 1.00 0.00 C ATOM 1048 O VAL A 73 5.559 8.290 -4.192 1.00 0.00 O ATOM 1049 CB VAL A 73 5.049 9.398 -1.310 1.00 0.00 C ATOM 1050 CG1 VAL A 73 6.314 8.571 -1.479 1.00 0.00 C ATOM 1051 CG2 VAL A 73 5.313 10.621 -0.444 1.00 0.00 C ATOM 0 H VAL A 73 2.814 10.470 -1.604 1.00 0.00 H new ATOM 0 HA VAL A 73 5.116 10.613 -3.092 1.00 0.00 H new ATOM 0 HB VAL A 73 4.304 8.780 -0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.694 8.282 -0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.089 7.676 -2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.068 9.161 -2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.707 10.305 0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.039 11.267 -0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.383 11.169 -0.295 1.00 0.00 H new ATOM 1061 N ALA A 74 3.372 7.968 -3.777 1.00 0.00 N ATOM 1062 CA ALA A 74 3.265 6.805 -4.650 1.00 0.00 C ATOM 1063 C ALA A 74 3.113 7.225 -6.108 1.00 0.00 C ATOM 1064 O ALA A 74 3.617 6.558 -7.010 1.00 0.00 O ATOM 1065 CB ALA A 74 2.094 5.933 -4.224 1.00 0.00 C ATOM 0 H ALA A 74 2.503 8.226 -3.309 1.00 0.00 H new ATOM 0 HA ALA A 74 4.185 6.228 -4.561 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.025 5.068 -4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.246 5.596 -3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.171 6.509 -4.284 1.00 0.00 H new ATOM 1071 N GLU A 75 2.413 8.333 -6.330 1.00 0.00 N ATOM 1072 CA GLU A 75 2.193 8.839 -7.680 1.00 0.00 C ATOM 1073 C GLU A 75 3.374 9.691 -8.140 1.00 0.00 C ATOM 1074 O GLU A 75 3.529 9.964 -9.329 1.00 0.00 O ATOM 1075 CB GLU A 75 0.905 9.662 -7.736 1.00 0.00 C ATOM 1076 CG GLU A 75 0.583 10.194 -9.122 1.00 0.00 C ATOM 1077 CD GLU A 75 1.269 11.515 -9.414 1.00 0.00 C ATOM 1078 OE1 GLU A 75 1.371 12.348 -8.491 1.00 0.00 O ATOM 1079 OE2 GLU A 75 1.706 11.713 -10.568 1.00 0.00 O ATOM 0 H GLU A 75 1.989 8.897 -5.593 1.00 0.00 H new ATOM 0 HA GLU A 75 2.099 7.985 -8.350 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.075 9.046 -7.390 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.989 10.500 -7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.885 9.459 -9.868 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.495 10.320 -9.217 1.00 0.00 H new ATOM 1086 N ASN A 76 4.203 10.106 -7.188 1.00 0.00 N ATOM 1087 CA ASN A 76 5.369 10.927 -7.495 1.00 0.00 C ATOM 1088 C ASN A 76 6.622 10.067 -7.621 1.00 0.00 C ATOM 1089 O ASN A 76 7.224 9.984 -8.691 1.00 0.00 O ATOM 1090 CB ASN A 76 5.571 11.988 -6.410 1.00 0.00 C ATOM 1091 CG ASN A 76 4.532 13.091 -6.479 1.00 0.00 C ATOM 1092 OD1 ASN A 76 4.081 13.466 -7.561 1.00 0.00 O ATOM 1093 ND2 ASN A 76 4.150 13.616 -5.321 1.00 0.00 N ATOM 0 H ASN A 76 4.089 9.888 -6.198 1.00 0.00 H new ATOM 0 HA ASN A 76 5.193 11.422 -8.450 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.529 11.514 -5.430 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.565 12.423 -6.511 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.455 14.362 -5.304 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.552 13.273 -4.448 1.00 0.00 H new ATOM 1100 N GLU A 77 7.008 9.428 -6.521 1.00 0.00 N ATOM 1101 CA GLU A 77 8.190 8.574 -6.509 1.00 0.00 C ATOM 1102 C GLU A 77 7.922 7.263 -7.244 1.00 0.00 C ATOM 1103 O GLU A 77 8.442 7.033 -8.335 1.00 0.00 O ATOM 1104 CB GLU A 77 8.623 8.285 -5.070 1.00 0.00 C ATOM 1105 CG GLU A 77 9.612 9.297 -4.517 1.00 0.00 C ATOM 1106 CD GLU A 77 10.715 9.633 -5.503 1.00 0.00 C ATOM 1107 OE1 GLU A 77 11.328 8.692 -6.050 1.00 0.00 O ATOM 1108 OE2 GLU A 77 10.964 10.835 -5.728 1.00 0.00 O ATOM 0 H GLU A 77 6.520 9.485 -5.627 1.00 0.00 H new ATOM 0 HA GLU A 77 8.993 9.102 -7.024 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.740 8.266 -4.431 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.070 7.292 -5.027 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.080 10.209 -4.247 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.055 8.904 -3.602 1.00 0.00 H new ATOM 1115 N LEU A 78 7.106 6.408 -6.637 1.00 0.00 N ATOM 1116 CA LEU A 78 6.769 5.120 -7.232 1.00 0.00 C ATOM 1117 C LEU A 78 6.157 5.304 -8.617 1.00 0.00 C ATOM 1118 O LEU A 78 6.363 4.485 -9.512 1.00 0.00 O ATOM 1119 CB LEU A 78 5.796 4.358 -6.330 1.00 0.00 C ATOM 1120 CG LEU A 78 6.138 4.339 -4.840 1.00 0.00 C ATOM 1121 CD1 LEU A 78 5.145 3.477 -4.075 1.00 0.00 C ATOM 1122 CD2 LEU A 78 7.558 3.836 -4.626 1.00 0.00 C ATOM 0 H LEU A 78 6.666 6.584 -5.734 1.00 0.00 H new ATOM 0 HA LEU A 78 7.688 4.543 -7.334 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.804 4.794 -6.449 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.736 3.328 -6.682 1.00 0.00 H new ATOM 0 HG LEU A 78 6.073 5.358 -4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.404 3.475 -3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.140 3.880 -4.202 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.178 2.457 -4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.785 3.829 -3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.650 2.825 -5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.258 4.493 -5.142 1.00 0.00 H new ATOM 1134 N GLY A 79 5.404 6.387 -8.788 1.00 0.00 N ATOM 1135 CA GLY A 79 4.776 6.660 -10.067 1.00 0.00 C ATOM 1136 C GLY A 79 3.496 5.872 -10.264 1.00 0.00 C ATOM 1137 O GLY A 79 2.952 5.827 -11.367 1.00 0.00 O ATOM 0 H GLY A 79 5.218 7.080 -8.063 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.558 7.725 -10.141 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.474 6.420 -10.869 1.00 0.00 H new ATOM 1141 N ILE A 80 3.016 5.248 -9.194 1.00 0.00 N ATOM 1142 CA ILE A 80 1.793 4.458 -9.256 1.00 0.00 C ATOM 1143 C ILE A 80 0.558 5.354 -9.238 1.00 0.00 C ATOM 1144 O ILE A 80 0.008 5.651 -8.177 1.00 0.00 O ATOM 1145 CB ILE A 80 1.707 3.461 -8.084 1.00 0.00 C ATOM 1146 CG1 ILE A 80 2.966 2.594 -8.031 1.00 0.00 C ATOM 1147 CG2 ILE A 80 0.464 2.595 -8.216 1.00 0.00 C ATOM 1148 CD1 ILE A 80 3.075 1.618 -9.183 1.00 0.00 C ATOM 0 H ILE A 80 3.455 5.274 -8.274 1.00 0.00 H new ATOM 0 HA ILE A 80 1.823 3.903 -10.194 1.00 0.00 H new ATOM 0 HB ILE A 80 1.636 4.022 -7.152 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.843 3.241 -8.029 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.977 2.039 -7.093 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.417 1.896 -7.381 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.423 3.228 -8.209 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.506 2.039 -9.153 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.991 1.036 -9.081 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.216 0.947 -9.174 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.096 2.167 -10.124 1.00 0.00 H new ATOM 1160 N THR A 81 0.127 5.780 -10.420 1.00 0.00 N ATOM 1161 CA THR A 81 -1.043 6.641 -10.542 1.00 0.00 C ATOM 1162 C THR A 81 -2.168 6.173 -9.626 1.00 0.00 C ATOM 1163 O THR A 81 -2.450 4.981 -9.510 1.00 0.00 O ATOM 1164 CB THR A 81 -1.561 6.683 -11.992 1.00 0.00 C ATOM 1165 OG1 THR A 81 -0.554 7.219 -12.857 1.00 0.00 O ATOM 1166 CG2 THR A 81 -2.824 7.527 -12.091 1.00 0.00 C ATOM 0 H THR A 81 0.571 5.543 -11.307 1.00 0.00 H new ATOM 0 HA THR A 81 -0.730 7.643 -10.247 1.00 0.00 H new ATOM 0 HB THR A 81 -1.798 5.665 -12.299 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.891 7.241 -13.777 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.171 7.542 -13.124 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.598 7.099 -11.454 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.608 8.545 -11.766 1.00 0.00 H new ATOM 1174 N PRO A 82 -2.827 7.132 -8.960 1.00 0.00 N ATOM 1175 CA PRO A 82 -3.933 6.842 -8.042 1.00 0.00 C ATOM 1176 C PRO A 82 -5.179 6.357 -8.773 1.00 0.00 C ATOM 1177 O PRO A 82 -6.001 7.158 -9.221 1.00 0.00 O ATOM 1178 CB PRO A 82 -4.198 8.191 -7.368 1.00 0.00 C ATOM 1179 CG PRO A 82 -3.714 9.205 -8.346 1.00 0.00 C ATOM 1180 CD PRO A 82 -2.543 8.574 -9.049 1.00 0.00 C ATOM 0 HA PRO A 82 -3.685 6.043 -7.343 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.258 8.324 -7.152 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.667 8.271 -6.420 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.499 9.470 -9.055 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.417 10.124 -7.841 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.470 8.906 -10.085 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.600 8.828 -8.566 1.00 0.00 H new ATOM 1188 N VAL A 83 -5.317 5.040 -8.890 1.00 0.00 N ATOM 1189 CA VAL A 83 -6.465 4.448 -9.566 1.00 0.00 C ATOM 1190 C VAL A 83 -7.732 4.602 -8.732 1.00 0.00 C ATOM 1191 O VAL A 83 -8.841 4.627 -9.266 1.00 0.00 O ATOM 1192 CB VAL A 83 -6.234 2.954 -9.859 1.00 0.00 C ATOM 1193 CG1 VAL A 83 -6.548 2.113 -8.631 1.00 0.00 C ATOM 1194 CG2 VAL A 83 -7.073 2.509 -11.048 1.00 0.00 C ATOM 0 H VAL A 83 -4.647 4.363 -8.525 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.587 4.980 -10.509 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.183 2.809 -10.109 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.379 1.060 -8.858 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.901 2.415 -7.808 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.590 2.260 -8.346 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.898 1.451 -11.241 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.129 2.668 -10.828 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.794 3.090 -11.927 1.00 0.00 H new ATOM 1204 N VAL A 84 -7.560 4.703 -7.417 1.00 0.00 N ATOM 1205 CA VAL A 84 -8.690 4.856 -6.509 1.00 0.00 C ATOM 1206 C VAL A 84 -8.591 6.157 -5.721 1.00 0.00 C ATOM 1207 O VAL A 84 -7.497 6.598 -5.365 1.00 0.00 O ATOM 1208 CB VAL A 84 -8.780 3.677 -5.522 1.00 0.00 C ATOM 1209 CG1 VAL A 84 -9.828 3.952 -4.455 1.00 0.00 C ATOM 1210 CG2 VAL A 84 -9.088 2.385 -6.263 1.00 0.00 C ATOM 0 H VAL A 84 -6.649 4.682 -6.958 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.589 4.875 -7.124 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.815 3.565 -5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.877 3.108 -3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.559 4.854 -3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.800 4.092 -4.927 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.148 1.562 -5.550 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.040 2.483 -6.785 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.297 2.182 -6.985 1.00 0.00 H new ATOM 1220 N SER A 85 -9.739 6.770 -5.451 1.00 0.00 N ATOM 1221 CA SER A 85 -9.781 8.024 -4.708 1.00 0.00 C ATOM 1222 C SER A 85 -9.540 7.782 -3.221 1.00 0.00 C ATOM 1223 O SER A 85 -10.249 7.002 -2.585 1.00 0.00 O ATOM 1224 CB SER A 85 -11.128 8.717 -4.912 1.00 0.00 C ATOM 1225 OG SER A 85 -12.183 7.962 -4.341 1.00 0.00 O ATOM 0 H SER A 85 -10.653 6.418 -5.736 1.00 0.00 H new ATOM 0 HA SER A 85 -8.988 8.669 -5.087 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.102 9.709 -4.461 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.311 8.856 -5.978 1.00 0.00 H new ATOM 0 HG SER A 85 -13.033 8.428 -4.484 1.00 0.00 H new ATOM 1231 N ALA A 86 -8.535 8.456 -2.673 1.00 0.00 N ATOM 1232 CA ALA A 86 -8.202 8.317 -1.260 1.00 0.00 C ATOM 1233 C ALA A 86 -9.454 8.088 -0.421 1.00 0.00 C ATOM 1234 O ALA A 86 -9.423 7.352 0.565 1.00 0.00 O ATOM 1235 CB ALA A 86 -7.454 9.549 -0.771 1.00 0.00 C ATOM 0 H ALA A 86 -7.937 9.104 -3.186 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.557 7.445 -1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.212 9.432 0.285 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.534 9.667 -1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.080 10.431 -0.904 1.00 0.00 H new ATOM 1241 N GLN A 87 -10.552 8.721 -0.819 1.00 0.00 N ATOM 1242 CA GLN A 87 -11.814 8.586 -0.101 1.00 0.00 C ATOM 1243 C GLN A 87 -12.381 7.179 -0.258 1.00 0.00 C ATOM 1244 O GLN A 87 -12.748 6.535 0.725 1.00 0.00 O ATOM 1245 CB GLN A 87 -12.826 9.615 -0.607 1.00 0.00 C ATOM 1246 CG GLN A 87 -13.972 9.868 0.359 1.00 0.00 C ATOM 1247 CD GLN A 87 -15.082 8.844 0.229 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -14.963 7.874 -0.521 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -16.170 9.055 0.959 1.00 0.00 N ATOM 0 H GLN A 87 -10.594 9.332 -1.634 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.622 8.766 0.957 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.310 10.556 -0.799 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.233 9.274 -1.559 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.591 9.857 1.380 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.379 10.864 0.181 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -16.226 9.872 1.567 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -16.951 8.400 0.912 1.00 0.00 H new ATOM 1258 N ALA A 88 -12.450 6.708 -1.498 1.00 0.00 N ATOM 1259 CA ALA A 88 -12.970 5.377 -1.783 1.00 0.00 C ATOM 1260 C ALA A 88 -12.227 4.314 -0.981 1.00 0.00 C ATOM 1261 O ALA A 88 -12.838 3.397 -0.430 1.00 0.00 O ATOM 1262 CB ALA A 88 -12.875 5.080 -3.272 1.00 0.00 C ATOM 0 H ALA A 88 -12.152 7.229 -2.322 1.00 0.00 H new ATOM 0 HA ALA A 88 -14.018 5.353 -1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.267 4.082 -3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.457 5.815 -3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.833 5.129 -3.587 1.00 0.00 H new ATOM 1268 N VAL A 89 -10.905 4.442 -0.920 1.00 0.00 N ATOM 1269 CA VAL A 89 -10.079 3.492 -0.185 1.00 0.00 C ATOM 1270 C VAL A 89 -10.464 3.454 1.290 1.00 0.00 C ATOM 1271 O VAL A 89 -10.851 2.409 1.815 1.00 0.00 O ATOM 1272 CB VAL A 89 -8.583 3.840 -0.305 1.00 0.00 C ATOM 1273 CG1 VAL A 89 -7.745 2.894 0.543 1.00 0.00 C ATOM 1274 CG2 VAL A 89 -8.141 3.796 -1.760 1.00 0.00 C ATOM 0 H VAL A 89 -10.384 5.194 -1.371 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.254 2.511 -0.628 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.433 4.854 0.067 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.691 3.155 0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.045 2.979 1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.898 1.869 0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.082 4.044 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.305 2.795 -2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.719 4.517 -2.338 1.00 0.00 H new ATOM 1284 N VAL A 90 -10.356 4.600 1.954 1.00 0.00 N ATOM 1285 CA VAL A 90 -10.694 4.699 3.368 1.00 0.00 C ATOM 1286 C VAL A 90 -12.187 4.488 3.592 1.00 0.00 C ATOM 1287 O VAL A 90 -12.597 3.557 4.284 1.00 0.00 O ATOM 1288 CB VAL A 90 -10.287 6.067 3.949 1.00 0.00 C ATOM 1289 CG1 VAL A 90 -10.696 6.169 5.410 1.00 0.00 C ATOM 1290 CG2 VAL A 90 -8.791 6.288 3.788 1.00 0.00 C ATOM 0 H VAL A 90 -10.037 5.473 1.535 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.138 3.915 3.882 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.808 6.848 3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.401 7.142 5.803 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -11.777 6.057 5.494 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.204 5.382 5.981 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.520 7.259 4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.248 5.503 4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.531 6.261 2.730 1.00 0.00 H new ATOM 1300 N ALA A 91 -12.997 5.361 3.001 1.00 0.00 N ATOM 1301 CA ALA A 91 -14.446 5.270 3.133 1.00 0.00 C ATOM 1302 C ALA A 91 -14.915 3.822 3.048 1.00 0.00 C ATOM 1303 O ALA A 91 -15.756 3.383 3.831 1.00 0.00 O ATOM 1304 CB ALA A 91 -15.128 6.111 2.065 1.00 0.00 C ATOM 0 H ALA A 91 -12.674 6.139 2.426 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.721 5.657 4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.210 6.033 2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.826 7.153 2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -14.838 5.751 1.078 1.00 0.00 H new ATOM 1310 N GLY A 92 -14.365 3.082 2.089 1.00 0.00 N ATOM 1311 CA GLY A 92 -14.741 1.690 1.918 1.00 0.00 C ATOM 1312 C GLY A 92 -15.948 1.522 1.016 1.00 0.00 C ATOM 1313 O GLY A 92 -16.911 0.847 1.378 1.00 0.00 O ATOM 0 H GLY A 92 -13.666 3.421 1.428 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.899 1.138 1.500 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.956 1.253 2.893 1.00 0.00 H new ATOM 1317 N SER A 93 -15.898 2.140 -0.159 1.00 0.00 N ATOM 1318 CA SER A 93 -16.997 2.059 -1.113 1.00 0.00 C ATOM 1319 C SER A 93 -16.618 1.192 -2.309 1.00 0.00 C ATOM 1320 O SER A 93 -17.427 0.404 -2.799 1.00 0.00 O ATOM 1321 CB SER A 93 -17.391 3.459 -1.589 1.00 0.00 C ATOM 1322 OG SER A 93 -18.462 3.401 -2.514 1.00 0.00 O ATOM 0 H SER A 93 -15.108 2.703 -0.473 1.00 0.00 H new ATOM 0 HA SER A 93 -17.848 1.600 -0.610 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.678 4.070 -0.733 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.532 3.944 -2.053 1.00 0.00 H new ATOM 0 HG SER A 93 -18.695 4.308 -2.801 1.00 0.00 H new ATOM 1328 N ASP A 94 -15.382 1.342 -2.772 1.00 0.00 N ATOM 1329 CA ASP A 94 -14.893 0.571 -3.909 1.00 0.00 C ATOM 1330 C ASP A 94 -13.755 -0.355 -3.490 1.00 0.00 C ATOM 1331 O ASP A 94 -12.578 -0.004 -3.562 1.00 0.00 O ATOM 1332 CB ASP A 94 -14.419 1.508 -5.021 1.00 0.00 C ATOM 1333 CG ASP A 94 -15.485 2.507 -5.429 1.00 0.00 C ATOM 1334 OD1 ASP A 94 -16.662 2.106 -5.538 1.00 0.00 O ATOM 1335 OD2 ASP A 94 -15.141 3.688 -5.643 1.00 0.00 O ATOM 0 H ASP A 94 -14.700 1.990 -2.378 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.715 -0.039 -4.283 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.531 2.045 -4.686 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -14.126 0.918 -5.890 1.00 0.00 H new ATOM 1340 N PRO A 95 -14.115 -1.566 -3.039 1.00 0.00 N ATOM 1341 CA PRO A 95 -13.139 -2.568 -2.598 1.00 0.00 C ATOM 1342 C PRO A 95 -12.324 -3.132 -3.758 1.00 0.00 C ATOM 1343 O PRO A 95 -11.239 -3.680 -3.557 1.00 0.00 O ATOM 1344 CB PRO A 95 -14.010 -3.662 -1.976 1.00 0.00 C ATOM 1345 CG PRO A 95 -15.334 -3.520 -2.647 1.00 0.00 C ATOM 1346 CD PRO A 95 -15.500 -2.052 -2.926 1.00 0.00 C ATOM 0 HA PRO A 95 -12.404 -2.147 -1.911 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.584 -4.651 -2.146 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.097 -3.533 -0.897 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.368 -4.099 -3.570 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -16.137 -3.889 -2.009 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -16.062 -1.879 -3.843 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -16.038 -1.549 -2.122 1.00 0.00 H new ATOM 1354 N LEU A 96 -12.853 -2.996 -4.969 1.00 0.00 N ATOM 1355 CA LEU A 96 -12.173 -3.491 -6.161 1.00 0.00 C ATOM 1356 C LEU A 96 -11.012 -2.580 -6.544 1.00 0.00 C ATOM 1357 O LEU A 96 -9.881 -3.035 -6.709 1.00 0.00 O ATOM 1358 CB LEU A 96 -13.159 -3.600 -7.325 1.00 0.00 C ATOM 1359 CG LEU A 96 -14.208 -4.707 -7.216 1.00 0.00 C ATOM 1360 CD1 LEU A 96 -15.456 -4.192 -6.516 1.00 0.00 C ATOM 1361 CD2 LEU A 96 -14.554 -5.251 -8.594 1.00 0.00 C ATOM 0 H LEU A 96 -13.751 -2.547 -5.151 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.774 -4.480 -5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.676 -2.646 -7.427 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.591 -3.754 -8.242 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.791 -5.519 -6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.192 -4.993 -6.447 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.196 -3.851 -5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.876 -3.362 -7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.302 -6.038 -8.497 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.951 -4.447 -9.213 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.657 -5.658 -9.060 1.00 0.00 H new ATOM 1373 N GLY A 97 -11.300 -1.290 -6.683 1.00 0.00 N ATOM 1374 CA GLY A 97 -10.270 -0.334 -7.043 1.00 0.00 C ATOM 1375 C GLY A 97 -8.995 -0.526 -6.245 1.00 0.00 C ATOM 1376 O GLY A 97 -7.908 -0.629 -6.814 1.00 0.00 O ATOM 0 H GLY A 97 -12.229 -0.890 -6.553 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -10.047 -0.428 -8.106 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.646 0.677 -6.884 1.00 0.00 H new ATOM 1380 N LEU A 98 -9.129 -0.571 -4.925 1.00 0.00 N ATOM 1381 CA LEU A 98 -7.978 -0.750 -4.046 1.00 0.00 C ATOM 1382 C LEU A 98 -7.107 -1.910 -4.518 1.00 0.00 C ATOM 1383 O LEU A 98 -5.907 -1.747 -4.740 1.00 0.00 O ATOM 1384 CB LEU A 98 -8.443 -0.999 -2.609 1.00 0.00 C ATOM 1385 CG LEU A 98 -7.353 -1.382 -1.608 1.00 0.00 C ATOM 1386 CD1 LEU A 98 -6.246 -0.338 -1.598 1.00 0.00 C ATOM 1387 CD2 LEU A 98 -7.943 -1.550 -0.215 1.00 0.00 C ATOM 0 H LEU A 98 -10.022 -0.486 -4.439 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.383 0.163 -4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.940 -0.098 -2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.191 -1.792 -2.623 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.923 -2.335 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.479 -0.628 -0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.804 -0.267 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.661 0.630 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.153 -1.823 0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.401 -0.613 0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.699 -2.335 -0.232 1.00 0.00 H new ATOM 1399 N ILE A 99 -7.720 -3.080 -4.670 1.00 0.00 N ATOM 1400 CA ILE A 99 -7.000 -4.265 -5.120 1.00 0.00 C ATOM 1401 C ILE A 99 -6.151 -3.960 -6.349 1.00 0.00 C ATOM 1402 O ILE A 99 -4.956 -4.252 -6.379 1.00 0.00 O ATOM 1403 CB ILE A 99 -7.966 -5.418 -5.450 1.00 0.00 C ATOM 1404 CG1 ILE A 99 -8.804 -5.778 -4.221 1.00 0.00 C ATOM 1405 CG2 ILE A 99 -7.193 -6.631 -5.944 1.00 0.00 C ATOM 1406 CD1 ILE A 99 -9.951 -6.716 -4.525 1.00 0.00 C ATOM 0 H ILE A 99 -8.712 -3.232 -4.488 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.350 -4.569 -4.300 1.00 0.00 H new ATOM 0 HB ILE A 99 -8.639 -5.093 -6.243 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -8.158 -6.238 -3.473 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.201 -4.863 -3.781 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.889 -7.438 -6.173 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.636 -6.366 -6.843 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.499 -6.960 -5.171 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -10.501 -6.927 -3.608 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -10.619 -6.251 -5.250 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -9.561 -7.647 -4.937 1.00 0.00 H new ATOM 1418 N ALA A 100 -6.778 -3.368 -7.361 1.00 0.00 N ATOM 1419 CA ALA A 100 -6.079 -3.019 -8.592 1.00 0.00 C ATOM 1420 C ALA A 100 -4.981 -1.995 -8.329 1.00 0.00 C ATOM 1421 O ALA A 100 -3.907 -2.053 -8.928 1.00 0.00 O ATOM 1422 CB ALA A 100 -7.062 -2.488 -9.625 1.00 0.00 C ATOM 0 H ALA A 100 -7.767 -3.120 -7.352 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.611 -3.922 -8.983 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.526 -2.231 -10.539 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.808 -3.252 -9.844 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.557 -1.600 -9.233 1.00 0.00 H new ATOM 1428 N TYR A 101 -5.256 -1.056 -7.429 1.00 0.00 N ATOM 1429 CA TYR A 101 -4.293 -0.017 -7.089 1.00 0.00 C ATOM 1430 C TYR A 101 -3.006 -0.625 -6.538 1.00 0.00 C ATOM 1431 O TYR A 101 -1.908 -0.303 -6.993 1.00 0.00 O ATOM 1432 CB TYR A 101 -4.892 0.948 -6.065 1.00 0.00 C ATOM 1433 CG TYR A 101 -3.969 2.087 -5.693 1.00 0.00 C ATOM 1434 CD1 TYR A 101 -3.364 2.865 -6.672 1.00 0.00 C ATOM 1435 CD2 TYR A 101 -3.701 2.382 -4.363 1.00 0.00 C ATOM 1436 CE1 TYR A 101 -2.520 3.906 -6.337 1.00 0.00 C ATOM 1437 CE2 TYR A 101 -2.858 3.422 -4.018 1.00 0.00 C ATOM 1438 CZ TYR A 101 -2.270 4.180 -5.009 1.00 0.00 C ATOM 1439 OH TYR A 101 -1.430 5.216 -4.670 1.00 0.00 O ATOM 0 H TYR A 101 -6.139 -0.994 -6.922 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.054 0.532 -8.000 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.819 1.359 -6.465 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.152 0.393 -5.164 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.557 2.652 -7.713 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.159 1.789 -3.585 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -2.059 4.502 -7.111 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.661 3.640 -2.979 1.00 0.00 H new ATOM 0 HH TYR A 101 -1.315 5.810 -5.441 1.00 0.00 H new ATOM 1449 N LEU A 102 -3.151 -1.508 -5.556 1.00 0.00 N ATOM 1450 CA LEU A 102 -2.002 -2.163 -4.942 1.00 0.00 C ATOM 1451 C LEU A 102 -1.274 -3.047 -5.951 1.00 0.00 C ATOM 1452 O LEU A 102 -0.045 -3.041 -6.024 1.00 0.00 O ATOM 1453 CB LEU A 102 -2.448 -3.002 -3.743 1.00 0.00 C ATOM 1454 CG LEU A 102 -3.196 -2.252 -2.641 1.00 0.00 C ATOM 1455 CD1 LEU A 102 -3.768 -3.228 -1.624 1.00 0.00 C ATOM 1456 CD2 LEU A 102 -2.279 -1.247 -1.961 1.00 0.00 C ATOM 0 H LEU A 102 -4.052 -1.787 -5.168 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.314 -1.389 -4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.087 -3.807 -4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.567 -3.469 -3.303 1.00 0.00 H new ATOM 0 HG LEU A 102 -4.023 -1.708 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.297 -2.676 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.460 -3.908 -2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.957 -3.801 -1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.829 -0.723 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.430 -1.769 -1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -1.919 -0.527 -2.696 1.00 0.00 H new ATOM 1468 N SER A 103 -2.042 -3.803 -6.730 1.00 0.00 N ATOM 1469 CA SER A 103 -1.471 -4.691 -7.735 1.00 0.00 C ATOM 1470 C SER A 103 -0.322 -4.010 -8.472 1.00 0.00 C ATOM 1471 O SER A 103 0.679 -4.645 -8.808 1.00 0.00 O ATOM 1472 CB SER A 103 -2.546 -5.127 -8.732 1.00 0.00 C ATOM 1473 OG SER A 103 -2.010 -5.998 -9.712 1.00 0.00 O ATOM 0 H SER A 103 -3.061 -3.818 -6.684 1.00 0.00 H new ATOM 0 HA SER A 103 -1.081 -5.572 -7.226 1.00 0.00 H new ATOM 0 HB2 SER A 103 -3.357 -5.626 -8.202 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.975 -4.250 -9.216 1.00 0.00 H new ATOM 0 HG SER A 103 -2.718 -6.263 -10.336 1.00 0.00 H new ATOM 1479 N HIS A 104 -0.474 -2.714 -8.722 1.00 0.00 N ATOM 1480 CA HIS A 104 0.550 -1.945 -9.421 1.00 0.00 C ATOM 1481 C HIS A 104 1.855 -1.932 -8.627 1.00 0.00 C ATOM 1482 O HIS A 104 2.930 -2.168 -9.177 1.00 0.00 O ATOM 1483 CB HIS A 104 0.070 -0.513 -9.658 1.00 0.00 C ATOM 1484 CG HIS A 104 -1.116 -0.423 -10.568 1.00 0.00 C ATOM 1485 ND1 HIS A 104 -1.420 0.706 -11.299 1.00 0.00 N ATOM 1486 CD2 HIS A 104 -2.076 -1.331 -10.864 1.00 0.00 C ATOM 1487 CE1 HIS A 104 -2.516 0.489 -12.005 1.00 0.00 C ATOM 1488 NE2 HIS A 104 -2.934 -0.740 -11.758 1.00 0.00 N ATOM 0 H HIS A 104 -1.296 -2.174 -8.451 1.00 0.00 H new ATOM 0 HA HIS A 104 0.734 -2.422 -10.384 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.182 -0.060 -8.699 1.00 0.00 H new ATOM 0 HB3 HIS A 104 0.888 0.070 -10.081 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -2.152 -2.334 -10.470 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -2.989 1.196 -12.670 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -3.760 -1.178 -12.165 1.00 0.00 H new ATOM 1497 N PHE A 105 1.750 -1.652 -7.332 1.00 0.00 N ATOM 1498 CA PHE A 105 2.921 -1.606 -6.463 1.00 0.00 C ATOM 1499 C PHE A 105 3.755 -2.876 -6.607 1.00 0.00 C ATOM 1500 O PHE A 105 4.951 -2.818 -6.894 1.00 0.00 O ATOM 1501 CB PHE A 105 2.494 -1.425 -5.006 1.00 0.00 C ATOM 1502 CG PHE A 105 2.031 -0.032 -4.686 1.00 0.00 C ATOM 1503 CD1 PHE A 105 0.786 0.412 -5.102 1.00 0.00 C ATOM 1504 CD2 PHE A 105 2.841 0.834 -3.969 1.00 0.00 C ATOM 1505 CE1 PHE A 105 0.357 1.693 -4.809 1.00 0.00 C ATOM 1506 CE2 PHE A 105 2.418 2.115 -3.672 1.00 0.00 C ATOM 1507 CZ PHE A 105 1.174 2.546 -4.094 1.00 0.00 C ATOM 0 H PHE A 105 0.867 -1.454 -6.861 1.00 0.00 H new ATOM 0 HA PHE A 105 3.532 -0.755 -6.763 1.00 0.00 H new ATOM 0 HB2 PHE A 105 1.691 -2.127 -4.781 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.331 -1.679 -4.356 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.143 -0.251 -5.662 1.00 0.00 H new ATOM 0 HD2 PHE A 105 3.815 0.503 -3.638 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.616 2.026 -5.139 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.058 2.779 -3.111 1.00 0.00 H new ATOM 0 HZ PHE A 105 0.842 3.548 -3.865 1.00 0.00 H new ATOM 1517 N HIS A 106 3.115 -4.023 -6.404 1.00 0.00 N ATOM 1518 CA HIS A 106 3.797 -5.308 -6.510 1.00 0.00 C ATOM 1519 C HIS A 106 4.317 -5.532 -7.926 1.00 0.00 C ATOM 1520 O HIS A 106 5.512 -5.747 -8.133 1.00 0.00 O ATOM 1521 CB HIS A 106 2.853 -6.444 -6.114 1.00 0.00 C ATOM 1522 CG HIS A 106 3.514 -7.788 -6.077 1.00 0.00 C ATOM 1523 ND1 HIS A 106 3.082 -8.861 -6.826 1.00 0.00 N ATOM 1524 CD2 HIS A 106 4.586 -8.227 -5.376 1.00 0.00 C ATOM 1525 CE1 HIS A 106 3.857 -9.904 -6.585 1.00 0.00 C ATOM 1526 NE2 HIS A 106 4.778 -9.545 -5.710 1.00 0.00 N ATOM 0 H HIS A 106 2.126 -4.089 -6.165 1.00 0.00 H new ATOM 0 HA HIS A 106 4.647 -5.298 -5.828 1.00 0.00 H new ATOM 0 HB2 HIS A 106 2.431 -6.229 -5.132 1.00 0.00 H new ATOM 0 HB3 HIS A 106 2.022 -6.477 -6.818 1.00 0.00 H new ATOM 0 HD2 HIS A 106 5.179 -7.648 -4.683 1.00 0.00 H new ATOM 0 HE1 HIS A 106 3.754 -10.883 -7.028 1.00 0.00 H new ATOM 0 HE2 HIS A 106 5.513 -10.149 -5.342 1.00 0.00 H new ATOM 1535 N SER A 107 3.412 -5.481 -8.899 1.00 0.00 N ATOM 1536 CA SER A 107 3.778 -5.683 -10.296 1.00 0.00 C ATOM 1537 C SER A 107 5.096 -4.984 -10.618 1.00 0.00 C ATOM 1538 O SER A 107 5.826 -5.396 -11.518 1.00 0.00 O ATOM 1539 CB SER A 107 2.673 -5.162 -11.215 1.00 0.00 C ATOM 1540 OG SER A 107 1.481 -5.911 -11.056 1.00 0.00 O ATOM 0 H SER A 107 2.420 -5.301 -8.745 1.00 0.00 H new ATOM 0 HA SER A 107 3.904 -6.753 -10.463 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.478 -4.112 -10.996 1.00 0.00 H new ATOM 0 HB3 SER A 107 3.004 -5.215 -12.252 1.00 0.00 H new ATOM 0 HG SER A 107 0.967 -5.551 -10.303 1.00 0.00 H new ATOM 1546 N ALA A 108 5.393 -3.922 -9.875 1.00 0.00 N ATOM 1547 CA ALA A 108 6.622 -3.166 -10.079 1.00 0.00 C ATOM 1548 C ALA A 108 7.688 -3.566 -9.064 1.00 0.00 C ATOM 1549 O ALA A 108 8.873 -3.636 -9.390 1.00 0.00 O ATOM 1550 CB ALA A 108 6.343 -1.672 -9.994 1.00 0.00 C ATOM 0 H ALA A 108 4.799 -3.566 -9.126 1.00 0.00 H new ATOM 0 HA ALA A 108 7.001 -3.398 -11.074 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.270 -1.119 -10.148 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.622 -1.392 -10.762 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.937 -1.433 -9.011 1.00 0.00 H new ATOM 1556 N PHE A 109 7.258 -3.828 -7.835 1.00 0.00 N ATOM 1557 CA PHE A 109 8.176 -4.220 -6.771 1.00 0.00 C ATOM 1558 C PHE A 109 8.000 -5.694 -6.417 1.00 0.00 C ATOM 1559 O PHE A 109 7.942 -6.060 -5.242 1.00 0.00 O ATOM 1560 CB PHE A 109 7.952 -3.355 -5.530 1.00 0.00 C ATOM 1561 CG PHE A 109 8.346 -1.918 -5.721 1.00 0.00 C ATOM 1562 CD1 PHE A 109 7.570 -1.070 -6.495 1.00 0.00 C ATOM 1563 CD2 PHE A 109 9.493 -1.416 -5.126 1.00 0.00 C ATOM 1564 CE1 PHE A 109 7.931 0.253 -6.672 1.00 0.00 C ATOM 1565 CE2 PHE A 109 9.857 -0.095 -5.300 1.00 0.00 C ATOM 1566 CZ PHE A 109 9.076 0.740 -6.074 1.00 0.00 C ATOM 0 H PHE A 109 6.280 -3.776 -7.550 1.00 0.00 H new ATOM 0 HA PHE A 109 9.194 -4.070 -7.130 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.899 -3.401 -5.250 1.00 0.00 H new ATOM 0 HB3 PHE A 109 8.521 -3.772 -4.699 1.00 0.00 H new ATOM 0 HD1 PHE A 109 6.674 -1.447 -6.965 1.00 0.00 H new ATOM 0 HD2 PHE A 109 10.108 -2.065 -4.520 1.00 0.00 H new ATOM 0 HE1 PHE A 109 7.318 0.904 -7.277 1.00 0.00 H new ATOM 0 HE2 PHE A 109 10.752 0.285 -4.831 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.360 1.773 -6.211 1.00 0.00 H new ATOM 1576 N LYS A 110 7.915 -6.536 -7.441 1.00 0.00 N ATOM 1577 CA LYS A 110 7.747 -7.971 -7.240 1.00 0.00 C ATOM 1578 C LYS A 110 8.998 -8.731 -7.669 1.00 0.00 C ATOM 1579 O LYS A 110 9.874 -8.179 -8.336 1.00 0.00 O ATOM 1580 CB LYS A 110 6.535 -8.478 -8.026 1.00 0.00 C ATOM 1581 CG LYS A 110 6.646 -8.257 -9.524 1.00 0.00 C ATOM 1582 CD LYS A 110 5.900 -9.327 -10.303 1.00 0.00 C ATOM 1583 CE LYS A 110 5.531 -8.846 -11.698 1.00 0.00 C ATOM 1584 NZ LYS A 110 5.151 -9.976 -12.591 1.00 0.00 N ATOM 0 H LYS A 110 7.960 -6.250 -8.419 1.00 0.00 H new ATOM 0 HA LYS A 110 7.583 -8.147 -6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.407 -9.543 -7.833 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.639 -7.977 -7.659 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.246 -7.275 -9.778 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.696 -8.259 -9.816 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.518 -10.222 -10.377 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.996 -9.608 -9.763 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.703 -8.141 -11.632 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.374 -8.308 -12.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 4.906 -9.608 -13.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 5.950 -10.636 -12.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 4.331 -10.474 -12.190 1.00 0.00 H new