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 103 SER OG : rot -83:sc= 1.08 USER MOD Set 1.2: A 104 HIS : no HD1:sc= -1.07 K(o=0.015,f=0.93) USER MOD Single : A 16 CYS SG : rot 75:sc= 1.17 USER MOD Single : A 17 GLN : amide:sc= -0.177 K(o=-0.18,f=-2.9!) USER MOD Single : A 19 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.63) USER MOD Single : A 20 THR OG1 : rot -79:sc= 1.27 USER MOD Single : A 23 TYR OH : rot 30:sc= -1.08 USER MOD Single : A 27 HIS : no HD1:sc= -0.517 X(o=-0.52,f=-0.46) USER MOD Single : A 29 SER OG : rot 180:sc= 0 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 120:sc= -1 USER MOD Single : A 42 CYS SG : rot 56:sc= -5.47! USER MOD Single : A 46 TYR OH : rot 79:sc= 0.99 USER MOD Single : A 49 GLN : amide:sc= -4.2! C(o=-4.2!,f=-4.3!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.31) USER MOD Single : A 67 THR OG1 : rot -130:sc= -1.06 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.008) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.0213 K(o=-0.021,f=-1.1) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 15:sc= -1.39! USER MOD Single : A 106 HIS : no HD1:sc= -12! C(o=-12!,f=-6.7!) USER MOD Single : A 107 SER OG : rot 89:sc= 0.124 USER MOD Single : A 110 LYS NZ :NH3+ 174:sc= -0.0089 (180deg=-0.0882) USER MOD ----------------------------------------------------------------- ATOM 112 N GLU A 11 -1.224 -13.997 -3.085 1.00 0.00 N ATOM 113 CA GLU A 11 0.135 -13.645 -3.481 1.00 0.00 C ATOM 114 C GLU A 11 0.396 -12.157 -3.265 1.00 0.00 C ATOM 115 O GLU A 11 1.502 -11.756 -2.899 1.00 0.00 O ATOM 116 CB GLU A 11 0.373 -14.007 -4.948 1.00 0.00 C ATOM 117 CG GLU A 11 1.817 -14.362 -5.261 1.00 0.00 C ATOM 118 CD GLU A 11 2.135 -14.262 -6.741 1.00 0.00 C ATOM 119 OE1 GLU A 11 1.718 -15.162 -7.499 1.00 0.00 O ATOM 120 OE2 GLU A 11 2.800 -13.283 -7.139 1.00 0.00 O ATOM 0 HA GLU A 11 0.826 -14.213 -2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.265 -14.850 -5.214 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.070 -13.168 -5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.479 -13.698 -4.705 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.021 -15.376 -4.917 1.00 0.00 H new ATOM 127 N LEU A 12 -0.629 -11.343 -3.493 1.00 0.00 N ATOM 128 CA LEU A 12 -0.511 -9.899 -3.325 1.00 0.00 C ATOM 129 C LEU A 12 -0.536 -9.519 -1.848 1.00 0.00 C ATOM 130 O LEU A 12 0.275 -8.714 -1.389 1.00 0.00 O ATOM 131 CB LEU A 12 -1.644 -9.186 -4.065 1.00 0.00 C ATOM 132 CG LEU A 12 -1.760 -7.680 -3.825 1.00 0.00 C ATOM 133 CD1 LEU A 12 -0.658 -6.935 -4.562 1.00 0.00 C ATOM 134 CD2 LEU A 12 -3.129 -7.175 -4.255 1.00 0.00 C ATOM 0 H LEU A 12 -1.551 -11.658 -3.795 1.00 0.00 H new ATOM 0 HA LEU A 12 0.444 -9.586 -3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.515 -9.354 -5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.587 -9.653 -3.780 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.645 -7.492 -2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.757 -5.865 -4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.314 -7.276 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.740 -7.129 -5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.193 -6.102 -4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.274 -7.376 -5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.902 -7.685 -3.680 1.00 0.00 H new ATOM 146 N LEU A 13 -1.470 -10.107 -1.107 1.00 0.00 N ATOM 147 CA LEU A 13 -1.599 -9.833 0.320 1.00 0.00 C ATOM 148 C LEU A 13 -0.295 -10.133 1.052 1.00 0.00 C ATOM 149 O LEU A 13 0.345 -9.232 1.594 1.00 0.00 O ATOM 150 CB LEU A 13 -2.736 -10.663 0.918 1.00 0.00 C ATOM 151 CG LEU A 13 -2.786 -10.732 2.445 1.00 0.00 C ATOM 152 CD1 LEU A 13 -3.279 -9.415 3.024 1.00 0.00 C ATOM 153 CD2 LEU A 13 -3.673 -11.882 2.898 1.00 0.00 C ATOM 0 H LEU A 13 -2.148 -10.776 -1.471 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.827 -8.774 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.682 -10.256 0.562 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.660 -11.679 0.531 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.776 -10.911 2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.308 -9.484 4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.603 -8.612 2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.280 -9.204 2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.697 -11.916 3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.684 -11.734 2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.275 -12.821 2.514 1.00 0.00 H new ATOM 165 N ARG A 14 0.093 -11.405 1.062 1.00 0.00 N ATOM 166 CA ARG A 14 1.321 -11.823 1.727 1.00 0.00 C ATOM 167 C ARG A 14 2.458 -10.849 1.432 1.00 0.00 C ATOM 168 O ARG A 14 3.158 -10.403 2.341 1.00 0.00 O ATOM 169 CB ARG A 14 1.713 -13.233 1.280 1.00 0.00 C ATOM 170 CG ARG A 14 0.652 -14.281 1.571 1.00 0.00 C ATOM 171 CD ARG A 14 1.092 -15.662 1.109 1.00 0.00 C ATOM 172 NE ARG A 14 1.412 -15.686 -0.315 1.00 0.00 N ATOM 173 CZ ARG A 14 2.180 -16.612 -0.879 1.00 0.00 C ATOM 174 NH1 ARG A 14 2.703 -17.583 -0.145 1.00 0.00 N ATOM 175 NH2 ARG A 14 2.425 -16.567 -2.183 1.00 0.00 N ATOM 0 H ARG A 14 -0.425 -12.163 0.617 1.00 0.00 H new ATOM 0 HA ARG A 14 1.140 -11.827 2.802 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.917 -13.222 0.209 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.640 -13.518 1.778 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.444 -14.303 2.641 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.278 -14.008 1.071 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.965 -15.975 1.682 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.300 -16.382 1.315 1.00 0.00 H new ATOM 0 HE ARG A 14 1.025 -14.953 -0.909 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.517 -17.622 0.857 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.292 -18.292 -0.582 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.024 -15.822 -2.752 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.015 -17.278 -2.616 1.00 0.00 H new ATOM 189 N TRP A 15 2.636 -10.525 0.157 1.00 0.00 N ATOM 190 CA TRP A 15 3.688 -9.605 -0.258 1.00 0.00 C ATOM 191 C TRP A 15 3.587 -8.285 0.499 1.00 0.00 C ATOM 192 O TRP A 15 4.598 -7.723 0.923 1.00 0.00 O ATOM 193 CB TRP A 15 3.608 -9.350 -1.764 1.00 0.00 C ATOM 194 CG TRP A 15 4.629 -8.368 -2.256 1.00 0.00 C ATOM 195 CD1 TRP A 15 5.932 -8.630 -2.571 1.00 0.00 C ATOM 196 CD2 TRP A 15 4.431 -6.970 -2.487 1.00 0.00 C ATOM 197 NE1 TRP A 15 6.556 -7.477 -2.984 1.00 0.00 N ATOM 198 CE2 TRP A 15 5.655 -6.445 -2.942 1.00 0.00 C ATOM 199 CE3 TRP A 15 3.337 -6.110 -2.356 1.00 0.00 C ATOM 200 CZ2 TRP A 15 5.815 -5.100 -3.265 1.00 0.00 C ATOM 201 CZ3 TRP A 15 3.497 -4.776 -2.676 1.00 0.00 C ATOM 202 CH2 TRP A 15 4.727 -4.281 -3.127 1.00 0.00 C ATOM 0 H TRP A 15 2.065 -10.886 -0.608 1.00 0.00 H new ATOM 0 HA TRP A 15 4.649 -10.064 -0.025 1.00 0.00 H new ATOM 0 HB2 TRP A 15 3.739 -10.294 -2.292 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.612 -8.982 -2.010 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.403 -9.600 -2.505 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.531 -7.402 -3.274 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.384 -6.482 -2.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 6.763 -4.717 -3.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 2.659 -4.103 -2.577 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.819 -3.233 -3.371 1.00 0.00 H new ATOM 213 N CYS A 16 2.363 -7.796 0.665 1.00 0.00 N ATOM 214 CA CYS A 16 2.130 -6.541 1.370 1.00 0.00 C ATOM 215 C CYS A 16 2.451 -6.684 2.855 1.00 0.00 C ATOM 216 O CYS A 16 2.981 -5.764 3.476 1.00 0.00 O ATOM 217 CB CYS A 16 0.680 -6.091 1.190 1.00 0.00 C ATOM 218 SG CYS A 16 0.200 -5.818 -0.531 1.00 0.00 S ATOM 0 H CYS A 16 1.517 -8.250 0.321 1.00 0.00 H new ATOM 0 HA CYS A 16 2.791 -5.786 0.945 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.021 -6.842 1.625 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.525 -5.169 1.750 1.00 0.00 H new ATOM 0 HG CYS A 16 0.032 -6.964 -1.122 1.00 0.00 H new ATOM 224 N GLN A 17 2.123 -7.844 3.416 1.00 0.00 N ATOM 225 CA GLN A 17 2.375 -8.107 4.828 1.00 0.00 C ATOM 226 C GLN A 17 3.869 -8.080 5.129 1.00 0.00 C ATOM 227 O GLN A 17 4.285 -7.692 6.221 1.00 0.00 O ATOM 228 CB GLN A 17 1.785 -9.459 5.230 1.00 0.00 C ATOM 229 CG GLN A 17 0.266 -9.465 5.300 1.00 0.00 C ATOM 230 CD GLN A 17 -0.304 -10.857 5.482 1.00 0.00 C ATOM 231 OE1 GLN A 17 0.273 -11.843 5.024 1.00 0.00 O ATOM 232 NE2 GLN A 17 -1.446 -10.945 6.156 1.00 0.00 N ATOM 0 H GLN A 17 1.683 -8.616 2.915 1.00 0.00 H new ATOM 0 HA GLN A 17 1.893 -7.321 5.409 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.110 -10.215 4.515 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.186 -9.746 6.202 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.058 -8.833 6.127 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.138 -9.028 4.387 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.891 -10.102 6.518 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.878 -11.856 6.311 1.00 0.00 H new ATOM 241 N GLU A 18 4.672 -8.496 4.155 1.00 0.00 N ATOM 242 CA GLU A 18 6.121 -8.521 4.318 1.00 0.00 C ATOM 243 C GLU A 18 6.702 -7.112 4.240 1.00 0.00 C ATOM 244 O GLU A 18 7.595 -6.755 5.008 1.00 0.00 O ATOM 245 CB GLU A 18 6.762 -9.408 3.248 1.00 0.00 C ATOM 246 CG GLU A 18 6.743 -10.887 3.592 1.00 0.00 C ATOM 247 CD GLU A 18 7.896 -11.647 2.966 1.00 0.00 C ATOM 248 OE1 GLU A 18 8.405 -11.196 1.918 1.00 0.00 O ATOM 249 OE2 GLU A 18 8.288 -12.694 3.522 1.00 0.00 O ATOM 0 H GLU A 18 4.344 -8.820 3.245 1.00 0.00 H new ATOM 0 HA GLU A 18 6.343 -8.933 5.302 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.241 -9.257 2.303 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.794 -9.092 3.097 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.781 -11.005 4.675 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.801 -11.322 3.257 1.00 0.00 H new ATOM 256 N GLN A 19 6.187 -6.316 3.309 1.00 0.00 N ATOM 257 CA GLN A 19 6.655 -4.946 3.130 1.00 0.00 C ATOM 258 C GLN A 19 6.181 -4.056 4.274 1.00 0.00 C ATOM 259 O GLN A 19 6.980 -3.372 4.915 1.00 0.00 O ATOM 260 CB GLN A 19 6.161 -4.386 1.795 1.00 0.00 C ATOM 261 CG GLN A 19 6.658 -5.166 0.587 1.00 0.00 C ATOM 262 CD GLN A 19 8.112 -5.579 0.718 1.00 0.00 C ATOM 263 OE1 GLN A 19 8.973 -4.763 1.046 1.00 0.00 O ATOM 264 NE2 GLN A 19 8.391 -6.852 0.460 1.00 0.00 N ATOM 0 H GLN A 19 5.446 -6.596 2.667 1.00 0.00 H new ATOM 0 HA GLN A 19 7.745 -4.958 3.130 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.071 -4.384 1.792 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.482 -3.348 1.704 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.042 -6.055 0.455 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.536 -4.558 -0.309 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.645 -7.493 0.191 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.351 -7.188 0.531 1.00 0.00 H new ATOM 273 N THR A 20 4.876 -4.069 4.526 1.00 0.00 N ATOM 274 CA THR A 20 4.296 -3.261 5.592 1.00 0.00 C ATOM 275 C THR A 20 4.868 -3.650 6.950 1.00 0.00 C ATOM 276 O THR A 20 4.957 -2.823 7.857 1.00 0.00 O ATOM 277 CB THR A 20 2.763 -3.404 5.634 1.00 0.00 C ATOM 278 OG1 THR A 20 2.404 -4.773 5.857 1.00 0.00 O ATOM 279 CG2 THR A 20 2.138 -2.916 4.335 1.00 0.00 C ATOM 0 H THR A 20 4.201 -4.630 4.007 1.00 0.00 H new ATOM 0 HA THR A 20 4.551 -2.223 5.377 1.00 0.00 H new ATOM 0 HB THR A 20 2.386 -2.792 6.453 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.488 -5.274 5.019 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.055 -3.027 4.388 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.388 -1.866 4.183 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.523 -3.505 3.502 1.00 0.00 H new ATOM 287 N ALA A 21 5.256 -4.914 7.084 1.00 0.00 N ATOM 288 CA ALA A 21 5.822 -5.413 8.331 1.00 0.00 C ATOM 289 C ALA A 21 6.789 -4.400 8.937 1.00 0.00 C ATOM 290 O ALA A 21 7.415 -3.620 8.222 1.00 0.00 O ATOM 291 CB ALA A 21 6.524 -6.742 8.098 1.00 0.00 C ATOM 0 H ALA A 21 5.188 -5.612 6.343 1.00 0.00 H new ATOM 0 HA ALA A 21 5.006 -5.566 9.037 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.942 -7.103 9.038 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.808 -7.470 7.716 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.326 -6.607 7.372 1.00 0.00 H new ATOM 297 N GLY A 22 6.904 -4.419 10.262 1.00 0.00 N ATOM 298 CA GLY A 22 7.797 -3.498 10.942 1.00 0.00 C ATOM 299 C GLY A 22 7.088 -2.239 11.402 1.00 0.00 C ATOM 300 O GLY A 22 7.230 -1.825 12.553 1.00 0.00 O ATOM 0 H GLY A 22 6.395 -5.055 10.876 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.242 -3.997 11.803 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.614 -3.228 10.273 1.00 0.00 H new ATOM 304 N TYR A 23 6.327 -1.628 10.501 1.00 0.00 N ATOM 305 CA TYR A 23 5.598 -0.406 10.820 1.00 0.00 C ATOM 306 C TYR A 23 4.672 -0.619 12.014 1.00 0.00 C ATOM 307 O TYR A 23 3.856 -1.542 12.042 1.00 0.00 O ATOM 308 CB TYR A 23 4.788 0.060 9.609 1.00 0.00 C ATOM 309 CG TYR A 23 4.405 1.522 9.664 1.00 0.00 C ATOM 310 CD1 TYR A 23 3.691 2.034 10.739 1.00 0.00 C ATOM 311 CD2 TYR A 23 4.759 2.391 8.638 1.00 0.00 C ATOM 312 CE1 TYR A 23 3.337 3.367 10.792 1.00 0.00 C ATOM 313 CE2 TYR A 23 4.412 3.727 8.683 1.00 0.00 C ATOM 314 CZ TYR A 23 3.700 4.211 9.762 1.00 0.00 C ATOM 315 OH TYR A 23 3.352 5.541 9.811 1.00 0.00 O ATOM 0 H TYR A 23 6.199 -1.958 9.545 1.00 0.00 H new ATOM 0 HA TYR A 23 6.325 0.363 11.081 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.367 -0.122 8.703 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.882 -0.542 9.535 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.407 1.377 11.548 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.315 2.015 7.792 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.779 3.748 11.635 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.696 4.389 7.879 1.00 0.00 H new ATOM 0 HH TYR A 23 3.305 5.833 10.745 1.00 0.00 H new ATOM 325 N PRO A 24 4.800 0.253 13.024 1.00 0.00 N ATOM 326 CA PRO A 24 3.984 0.182 14.239 1.00 0.00 C ATOM 327 C PRO A 24 2.525 0.547 13.979 1.00 0.00 C ATOM 328 O PRO A 24 2.225 1.634 13.487 1.00 0.00 O ATOM 329 CB PRO A 24 4.635 1.212 15.165 1.00 0.00 C ATOM 330 CG PRO A 24 5.302 2.178 14.248 1.00 0.00 C ATOM 331 CD PRO A 24 5.752 1.376 13.058 1.00 0.00 C ATOM 0 HA PRO A 24 3.956 -0.826 14.653 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.892 1.708 15.790 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.354 0.742 15.836 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.615 2.969 13.948 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.149 2.659 14.737 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.714 1.963 12.140 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.779 1.029 13.172 1.00 0.00 H new ATOM 339 N GLY A 25 1.622 -0.369 14.314 1.00 0.00 N ATOM 340 CA GLY A 25 0.206 -0.125 14.109 1.00 0.00 C ATOM 341 C GLY A 25 -0.322 -0.791 12.854 1.00 0.00 C ATOM 342 O GLY A 25 -1.432 -1.322 12.845 1.00 0.00 O ATOM 0 H GLY A 25 1.846 -1.276 14.724 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.351 -0.490 14.972 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.031 0.949 14.048 1.00 0.00 H new ATOM 346 N VAL A 26 0.475 -0.760 11.790 1.00 0.00 N ATOM 347 CA VAL A 26 0.081 -1.365 10.523 1.00 0.00 C ATOM 348 C VAL A 26 0.126 -2.886 10.603 1.00 0.00 C ATOM 349 O VAL A 26 1.200 -3.485 10.669 1.00 0.00 O ATOM 350 CB VAL A 26 0.989 -0.895 9.372 1.00 0.00 C ATOM 351 CG1 VAL A 26 0.565 -1.540 8.060 1.00 0.00 C ATOM 352 CG2 VAL A 26 0.966 0.622 9.260 1.00 0.00 C ATOM 0 H VAL A 26 1.396 -0.323 11.780 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.942 -1.045 10.323 1.00 0.00 H new ATOM 0 HB VAL A 26 2.011 -1.205 9.589 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.218 -1.196 7.258 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.637 -2.624 8.147 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.465 -1.262 7.834 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.613 0.936 8.441 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.053 0.957 9.066 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.321 1.061 10.192 1.00 0.00 H new ATOM 362 N HIS A 27 -1.049 -3.509 10.596 1.00 0.00 N ATOM 363 CA HIS A 27 -1.144 -4.963 10.667 1.00 0.00 C ATOM 364 C HIS A 27 -2.051 -5.501 9.565 1.00 0.00 C ATOM 365 O HIS A 27 -3.073 -6.131 9.840 1.00 0.00 O ATOM 366 CB HIS A 27 -1.671 -5.394 12.035 1.00 0.00 C ATOM 367 CG HIS A 27 -2.841 -4.587 12.508 1.00 0.00 C ATOM 368 ND1 HIS A 27 -2.789 -3.760 13.609 1.00 0.00 N ATOM 369 CD2 HIS A 27 -4.100 -4.484 12.021 1.00 0.00 C ATOM 370 CE1 HIS A 27 -3.965 -3.183 13.781 1.00 0.00 C ATOM 371 NE2 HIS A 27 -4.778 -3.605 12.829 1.00 0.00 N ATOM 0 H HIS A 27 -1.948 -3.030 10.542 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.145 -5.376 10.525 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.959 -6.444 11.990 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -0.867 -5.315 12.766 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.497 -4.998 11.158 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.218 -2.486 14.566 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.751 -3.323 12.713 1.00 0.00 H new ATOM 380 N VAL A 28 -1.672 -5.249 8.315 1.00 0.00 N ATOM 381 CA VAL A 28 -2.452 -5.710 7.173 1.00 0.00 C ATOM 382 C VAL A 28 -2.835 -7.178 7.324 1.00 0.00 C ATOM 383 O VAL A 28 -1.974 -8.058 7.329 1.00 0.00 O ATOM 384 CB VAL A 28 -1.677 -5.526 5.854 1.00 0.00 C ATOM 385 CG1 VAL A 28 -2.505 -6.012 4.675 1.00 0.00 C ATOM 386 CG2 VAL A 28 -1.276 -4.070 5.671 1.00 0.00 C ATOM 0 H VAL A 28 -0.830 -4.728 8.069 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.357 -5.104 7.143 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.768 -6.126 5.900 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.941 -5.874 3.753 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.736 -7.069 4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.432 -5.442 4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.730 -3.958 4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.170 -3.447 5.646 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.641 -3.760 6.501 1.00 0.00 H new ATOM 396 N SER A 29 -4.133 -7.434 7.447 1.00 0.00 N ATOM 397 CA SER A 29 -4.632 -8.796 7.601 1.00 0.00 C ATOM 398 C SER A 29 -5.540 -9.178 6.436 1.00 0.00 C ATOM 399 O SER A 29 -5.701 -10.357 6.121 1.00 0.00 O ATOM 400 CB SER A 29 -5.391 -8.937 8.922 1.00 0.00 C ATOM 401 OG SER A 29 -6.489 -8.044 8.977 1.00 0.00 O ATOM 0 H SER A 29 -4.858 -6.717 7.443 1.00 0.00 H new ATOM 0 HA SER A 29 -3.776 -9.471 7.608 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.746 -9.962 9.034 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.716 -8.741 9.755 1.00 0.00 H new ATOM 0 HG SER A 29 -6.958 -8.155 9.830 1.00 0.00 H new ATOM 407 N ASP A 30 -6.131 -8.172 5.801 1.00 0.00 N ATOM 408 CA ASP A 30 -7.023 -8.401 4.670 1.00 0.00 C ATOM 409 C ASP A 30 -7.268 -7.106 3.901 1.00 0.00 C ATOM 410 O ASP A 30 -7.332 -6.025 4.488 1.00 0.00 O ATOM 411 CB ASP A 30 -8.353 -8.982 5.151 1.00 0.00 C ATOM 412 CG ASP A 30 -8.210 -10.398 5.673 1.00 0.00 C ATOM 413 OD1 ASP A 30 -7.838 -11.288 4.881 1.00 0.00 O ATOM 414 OD2 ASP A 30 -8.474 -10.617 6.875 1.00 0.00 O ATOM 0 H ASP A 30 -6.009 -7.190 6.050 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.545 -9.116 4.000 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.760 -8.347 5.938 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.069 -8.971 4.330 1.00 0.00 H new ATOM 419 N LEU A 31 -7.404 -7.222 2.585 1.00 0.00 N ATOM 420 CA LEU A 31 -7.642 -6.060 1.735 1.00 0.00 C ATOM 421 C LEU A 31 -9.101 -5.623 1.805 1.00 0.00 C ATOM 422 O LEU A 31 -9.768 -5.486 0.780 1.00 0.00 O ATOM 423 CB LEU A 31 -7.261 -6.377 0.287 1.00 0.00 C ATOM 424 CG LEU A 31 -5.764 -6.412 -0.021 1.00 0.00 C ATOM 425 CD1 LEU A 31 -5.069 -7.466 0.827 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.531 -6.678 -1.501 1.00 0.00 C ATOM 0 H LEU A 31 -7.354 -8.108 2.083 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.020 -5.242 2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.688 -7.344 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.728 -5.635 -0.361 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.339 -5.439 0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.004 -7.476 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.207 -7.233 1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.497 -8.445 0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.460 -6.700 -1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.971 -7.638 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.995 -5.887 -2.090 1.00 0.00 H new ATOM 438 N SER A 32 -9.591 -5.405 3.021 1.00 0.00 N ATOM 439 CA SER A 32 -10.971 -4.984 3.226 1.00 0.00 C ATOM 440 C SER A 32 -11.029 -3.634 3.934 1.00 0.00 C ATOM 441 O SER A 32 -11.457 -2.635 3.356 1.00 0.00 O ATOM 442 CB SER A 32 -11.731 -6.034 4.040 1.00 0.00 C ATOM 443 OG SER A 32 -13.121 -5.757 4.058 1.00 0.00 O ATOM 0 H SER A 32 -9.052 -5.513 3.880 1.00 0.00 H new ATOM 0 HA SER A 32 -11.442 -4.881 2.249 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.559 -7.023 3.615 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.348 -6.055 5.060 1.00 0.00 H new ATOM 0 HG SER A 32 -13.584 -6.443 4.583 1.00 0.00 H new ATOM 449 N SER A 33 -10.596 -3.614 5.191 1.00 0.00 N ATOM 450 CA SER A 33 -10.601 -2.388 5.982 1.00 0.00 C ATOM 451 C SER A 33 -9.201 -2.067 6.494 1.00 0.00 C ATOM 452 O SER A 33 -8.868 -0.907 6.739 1.00 0.00 O ATOM 453 CB SER A 33 -11.569 -2.520 7.159 1.00 0.00 C ATOM 454 OG SER A 33 -12.914 -2.416 6.726 1.00 0.00 O ATOM 0 H SER A 33 -10.238 -4.432 5.683 1.00 0.00 H new ATOM 0 HA SER A 33 -10.930 -1.571 5.340 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.416 -3.479 7.654 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.359 -1.744 7.895 1.00 0.00 H new ATOM 0 HG SER A 33 -13.513 -2.505 7.496 1.00 0.00 H new ATOM 460 N SER A 34 -8.383 -3.102 6.654 1.00 0.00 N ATOM 461 CA SER A 34 -7.019 -2.932 7.141 1.00 0.00 C ATOM 462 C SER A 34 -6.299 -1.833 6.367 1.00 0.00 C ATOM 463 O SER A 34 -5.344 -1.234 6.861 1.00 0.00 O ATOM 464 CB SER A 34 -6.245 -4.246 7.022 1.00 0.00 C ATOM 465 OG SER A 34 -5.260 -4.351 8.037 1.00 0.00 O ATOM 0 H SER A 34 -8.641 -4.068 6.453 1.00 0.00 H new ATOM 0 HA SER A 34 -7.068 -2.641 8.190 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.936 -5.086 7.093 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.770 -4.305 6.043 1.00 0.00 H new ATOM 0 HG SER A 34 -5.439 -5.143 8.586 1.00 0.00 H new ATOM 471 N TRP A 35 -6.765 -1.572 5.151 1.00 0.00 N ATOM 472 CA TRP A 35 -6.166 -0.544 4.306 1.00 0.00 C ATOM 473 C TRP A 35 -7.002 0.731 4.324 1.00 0.00 C ATOM 474 O TRP A 35 -6.515 1.808 3.983 1.00 0.00 O ATOM 475 CB TRP A 35 -6.023 -1.055 2.871 1.00 0.00 C ATOM 476 CG TRP A 35 -5.158 -2.273 2.758 1.00 0.00 C ATOM 477 CD1 TRP A 35 -5.481 -3.545 3.137 1.00 0.00 C ATOM 478 CD2 TRP A 35 -3.829 -2.334 2.230 1.00 0.00 C ATOM 479 NE1 TRP A 35 -4.432 -4.394 2.878 1.00 0.00 N ATOM 480 CE2 TRP A 35 -3.406 -3.676 2.320 1.00 0.00 C ATOM 481 CE3 TRP A 35 -2.955 -1.389 1.688 1.00 0.00 C ATOM 482 CZ2 TRP A 35 -2.149 -4.090 1.891 1.00 0.00 C ATOM 483 CZ3 TRP A 35 -1.706 -1.802 1.263 1.00 0.00 C ATOM 484 CH2 TRP A 35 -1.313 -3.143 1.365 1.00 0.00 C ATOM 0 H TRP A 35 -7.556 -2.058 4.728 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.177 -0.313 4.703 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.012 -1.282 2.474 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.605 -0.262 2.251 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.423 -3.840 3.576 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.419 -5.396 3.070 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.250 -0.354 1.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.844 -5.123 1.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.021 -1.079 0.845 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.331 -3.435 1.022 1.00 0.00 H new ATOM 495 N ALA A 36 -8.263 0.601 4.726 1.00 0.00 N ATOM 496 CA ALA A 36 -9.165 1.743 4.791 1.00 0.00 C ATOM 497 C ALA A 36 -8.631 2.812 5.739 1.00 0.00 C ATOM 498 O ALA A 36 -8.811 4.007 5.507 1.00 0.00 O ATOM 499 CB ALA A 36 -10.552 1.296 5.224 1.00 0.00 C ATOM 0 H ALA A 36 -8.682 -0.284 5.011 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.231 2.179 3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.215 2.160 5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.943 0.575 4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.494 0.832 6.209 1.00 0.00 H new ATOM 505 N ASP A 37 -7.974 2.373 6.807 1.00 0.00 N ATOM 506 CA ASP A 37 -7.414 3.292 7.791 1.00 0.00 C ATOM 507 C ASP A 37 -6.538 4.343 7.116 1.00 0.00 C ATOM 508 O ASP A 37 -6.759 5.542 7.271 1.00 0.00 O ATOM 509 CB ASP A 37 -6.598 2.523 8.832 1.00 0.00 C ATOM 510 CG ASP A 37 -5.637 3.416 9.590 1.00 0.00 C ATOM 511 OD1 ASP A 37 -5.932 4.621 9.731 1.00 0.00 O ATOM 512 OD2 ASP A 37 -4.587 2.911 10.041 1.00 0.00 O ATOM 0 H ASP A 37 -7.816 1.387 7.013 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.240 3.799 8.290 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.276 2.042 9.537 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.038 1.730 8.337 1.00 0.00 H new ATOM 517 N GLY A 38 -5.541 3.882 6.365 1.00 0.00 N ATOM 518 CA GLY A 38 -4.647 4.794 5.679 1.00 0.00 C ATOM 519 C GLY A 38 -3.187 4.440 5.884 1.00 0.00 C ATOM 520 O GLY A 38 -2.429 4.315 4.922 1.00 0.00 O ATOM 0 H GLY A 38 -5.338 2.893 6.220 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.873 4.786 4.613 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.825 5.809 6.035 1.00 0.00 H new ATOM 524 N LEU A 39 -2.791 4.279 7.142 1.00 0.00 N ATOM 525 CA LEU A 39 -1.410 3.939 7.471 1.00 0.00 C ATOM 526 C LEU A 39 -0.905 2.801 6.591 1.00 0.00 C ATOM 527 O LEU A 39 0.200 2.863 6.053 1.00 0.00 O ATOM 528 CB LEU A 39 -1.300 3.545 8.946 1.00 0.00 C ATOM 529 CG LEU A 39 -1.010 4.683 9.924 1.00 0.00 C ATOM 530 CD1 LEU A 39 -1.167 4.206 11.359 1.00 0.00 C ATOM 531 CD2 LEU A 39 0.388 5.239 9.696 1.00 0.00 C ATOM 0 H LEU A 39 -3.405 4.378 7.950 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.791 4.817 7.287 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.232 3.065 9.244 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.512 2.798 9.044 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.731 5.481 9.746 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.957 5.030 12.041 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.187 3.856 11.516 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.470 3.390 11.549 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.577 6.048 10.401 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.123 4.448 9.846 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.467 5.619 8.678 1.00 0.00 H new ATOM 543 N ALA A 40 -1.723 1.764 6.445 1.00 0.00 N ATOM 544 CA ALA A 40 -1.361 0.614 5.625 1.00 0.00 C ATOM 545 C ALA A 40 -0.595 1.047 4.381 1.00 0.00 C ATOM 546 O ALA A 40 0.571 0.693 4.201 1.00 0.00 O ATOM 547 CB ALA A 40 -2.606 -0.170 5.236 1.00 0.00 C ATOM 0 H ALA A 40 -2.641 1.696 6.884 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.709 -0.031 6.214 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.321 -1.026 4.624 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.112 -0.520 6.136 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.279 0.473 4.669 1.00 0.00 H new ATOM 553 N LEU A 41 -1.257 1.814 3.522 1.00 0.00 N ATOM 554 CA LEU A 41 -0.638 2.295 2.291 1.00 0.00 C ATOM 555 C LEU A 41 0.637 3.076 2.593 1.00 0.00 C ATOM 556 O LEU A 41 1.608 3.014 1.836 1.00 0.00 O ATOM 557 CB LEU A 41 -1.619 3.177 1.515 1.00 0.00 C ATOM 558 CG LEU A 41 -2.532 2.455 0.525 1.00 0.00 C ATOM 559 CD1 LEU A 41 -3.499 3.433 -0.122 1.00 0.00 C ATOM 560 CD2 LEU A 41 -1.709 1.736 -0.534 1.00 0.00 C ATOM 0 H LEU A 41 -2.222 2.116 3.655 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.377 1.430 1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.243 3.709 2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.048 3.929 0.970 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.112 1.712 1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.141 2.900 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.113 3.901 0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.938 4.201 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.376 1.228 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.102 2.460 -1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.059 1.004 -0.055 1.00 0.00 H new ATOM 572 N CYS A 42 0.628 3.808 3.700 1.00 0.00 N ATOM 573 CA CYS A 42 1.785 4.600 4.103 1.00 0.00 C ATOM 574 C CYS A 42 3.003 3.709 4.325 1.00 0.00 C ATOM 575 O CYS A 42 4.089 3.987 3.816 1.00 0.00 O ATOM 576 CB CYS A 42 1.474 5.386 5.377 1.00 0.00 C ATOM 577 SG CYS A 42 -0.071 6.323 5.307 1.00 0.00 S ATOM 0 H CYS A 42 -0.167 3.870 4.335 1.00 0.00 H new ATOM 0 HA CYS A 42 2.011 5.301 3.300 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.428 4.693 6.217 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.295 6.074 5.576 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.052 5.521 5.018 1.00 0.00 H new ATOM 583 N ALA A 43 2.815 2.639 5.091 1.00 0.00 N ATOM 584 CA ALA A 43 3.898 1.707 5.380 1.00 0.00 C ATOM 585 C ALA A 43 4.492 1.140 4.095 1.00 0.00 C ATOM 586 O ALA A 43 5.710 1.129 3.914 1.00 0.00 O ATOM 587 CB ALA A 43 3.401 0.583 6.276 1.00 0.00 C ATOM 0 H ALA A 43 1.923 2.396 5.522 1.00 0.00 H new ATOM 0 HA ALA A 43 4.684 2.252 5.902 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.220 -0.106 6.484 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.031 1.001 7.213 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.595 0.047 5.775 1.00 0.00 H new ATOM 593 N LEU A 44 3.625 0.667 3.206 1.00 0.00 N ATOM 594 CA LEU A 44 4.064 0.096 1.938 1.00 0.00 C ATOM 595 C LEU A 44 4.920 1.091 1.160 1.00 0.00 C ATOM 596 O LEU A 44 5.993 0.748 0.664 1.00 0.00 O ATOM 597 CB LEU A 44 2.855 -0.320 1.097 1.00 0.00 C ATOM 598 CG LEU A 44 3.142 -0.678 -0.361 1.00 0.00 C ATOM 599 CD1 LEU A 44 3.826 -2.033 -0.454 1.00 0.00 C ATOM 600 CD2 LEU A 44 1.857 -0.670 -1.175 1.00 0.00 C ATOM 0 H LEU A 44 2.614 0.668 3.340 1.00 0.00 H new ATOM 0 HA LEU A 44 4.669 -0.785 2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.384 -1.179 1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.129 0.493 1.114 1.00 0.00 H new ATOM 0 HG LEU A 44 3.815 0.074 -0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.022 -2.271 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.768 -2.004 0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.179 -2.797 -0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.081 -0.927 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.160 -1.400 -0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.408 0.322 -1.136 1.00 0.00 H new ATOM 612 N VAL A 45 4.438 2.326 1.058 1.00 0.00 N ATOM 613 CA VAL A 45 5.161 3.371 0.345 1.00 0.00 C ATOM 614 C VAL A 45 6.466 3.719 1.052 1.00 0.00 C ATOM 615 O VAL A 45 7.552 3.507 0.511 1.00 0.00 O ATOM 616 CB VAL A 45 4.309 4.647 0.207 1.00 0.00 C ATOM 617 CG1 VAL A 45 5.087 5.732 -0.523 1.00 0.00 C ATOM 618 CG2 VAL A 45 3.003 4.341 -0.511 1.00 0.00 C ATOM 0 H VAL A 45 3.550 2.626 1.460 1.00 0.00 H new ATOM 0 HA VAL A 45 5.383 2.981 -0.648 1.00 0.00 H new ATOM 0 HB VAL A 45 4.070 5.013 1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.469 6.626 -0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.992 5.970 0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.358 5.379 -1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.414 5.254 -0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.218 3.950 -1.505 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.441 3.600 0.057 1.00 0.00 H new ATOM 628 N TYR A 46 6.352 4.252 2.263 1.00 0.00 N ATOM 629 CA TYR A 46 7.525 4.632 3.044 1.00 0.00 C ATOM 630 C TYR A 46 8.602 3.553 2.968 1.00 0.00 C ATOM 631 O TYR A 46 9.773 3.846 2.730 1.00 0.00 O ATOM 632 CB TYR A 46 7.134 4.875 4.502 1.00 0.00 C ATOM 633 CG TYR A 46 6.478 6.218 4.736 1.00 0.00 C ATOM 634 CD1 TYR A 46 7.148 7.400 4.450 1.00 0.00 C ATOM 635 CD2 TYR A 46 5.188 6.303 5.245 1.00 0.00 C ATOM 636 CE1 TYR A 46 6.553 8.629 4.662 1.00 0.00 C ATOM 637 CE2 TYR A 46 4.584 7.526 5.459 1.00 0.00 C ATOM 638 CZ TYR A 46 5.271 8.686 5.167 1.00 0.00 C ATOM 639 OH TYR A 46 4.673 9.908 5.381 1.00 0.00 O ATOM 0 H TYR A 46 5.461 4.431 2.726 1.00 0.00 H new ATOM 0 HA TYR A 46 7.928 5.553 2.624 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.454 4.086 4.823 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.025 4.801 5.126 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.152 7.358 4.055 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.648 5.397 5.477 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.088 9.539 4.434 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.579 7.574 5.853 1.00 0.00 H new ATOM 0 HH TYR A 46 4.349 10.268 4.529 1.00 0.00 H new ATOM 649 N ARG A 47 8.194 2.304 3.171 1.00 0.00 N ATOM 650 CA ARG A 47 9.123 1.181 3.126 1.00 0.00 C ATOM 651 C ARG A 47 9.787 1.079 1.757 1.00 0.00 C ATOM 652 O ARG A 47 11.008 1.194 1.636 1.00 0.00 O ATOM 653 CB ARG A 47 8.394 -0.125 3.450 1.00 0.00 C ATOM 654 CG ARG A 47 9.306 -1.340 3.481 1.00 0.00 C ATOM 655 CD ARG A 47 10.070 -1.431 4.794 1.00 0.00 C ATOM 656 NE ARG A 47 11.284 -2.231 4.667 1.00 0.00 N ATOM 657 CZ ARG A 47 11.281 -3.549 4.495 1.00 0.00 C ATOM 658 NH1 ARG A 47 10.134 -4.209 4.429 1.00 0.00 N ATOM 659 NH2 ARG A 47 12.428 -4.207 4.387 1.00 0.00 N ATOM 0 H ARG A 47 7.227 2.045 3.368 1.00 0.00 H new ATOM 0 HA ARG A 47 9.897 1.352 3.874 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.902 -0.026 4.417 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.611 -0.288 2.709 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.714 -2.244 3.340 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.011 -1.288 2.651 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.331 -0.428 5.132 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.427 -1.867 5.558 1.00 0.00 H new ATOM 0 HE ARG A 47 12.184 -1.753 4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.251 -3.706 4.510 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.134 -5.220 4.297 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.313 -3.701 4.436 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.425 -5.218 4.255 1.00 0.00 H new ATOM 673 N LEU A 48 8.977 0.861 0.727 1.00 0.00 N ATOM 674 CA LEU A 48 9.484 0.743 -0.636 1.00 0.00 C ATOM 675 C LEU A 48 10.627 1.725 -0.878 1.00 0.00 C ATOM 676 O LEU A 48 11.577 1.420 -1.596 1.00 0.00 O ATOM 677 CB LEU A 48 8.361 0.990 -1.644 1.00 0.00 C ATOM 678 CG LEU A 48 7.465 -0.208 -1.957 1.00 0.00 C ATOM 679 CD1 LEU A 48 6.204 0.242 -2.678 1.00 0.00 C ATOM 680 CD2 LEU A 48 8.219 -1.236 -2.789 1.00 0.00 C ATOM 0 H LEU A 48 7.965 0.762 0.810 1.00 0.00 H new ATOM 0 HA LEU A 48 9.865 -0.270 -0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.734 1.799 -1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.806 1.338 -2.576 1.00 0.00 H new ATOM 0 HG LEU A 48 7.174 -0.675 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.579 -0.625 -2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.653 0.940 -2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.475 0.734 -3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.565 -2.082 -3.002 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.541 -0.781 -3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.092 -1.582 -2.236 1.00 0.00 H new ATOM 692 N GLN A 49 10.525 2.904 -0.272 1.00 0.00 N ATOM 693 CA GLN A 49 11.549 3.930 -0.421 1.00 0.00 C ATOM 694 C GLN A 49 11.903 4.547 0.927 1.00 0.00 C ATOM 695 O GLN A 49 11.210 5.429 1.434 1.00 0.00 O ATOM 696 CB GLN A 49 11.074 5.019 -1.385 1.00 0.00 C ATOM 697 CG GLN A 49 11.440 4.750 -2.836 1.00 0.00 C ATOM 698 CD GLN A 49 11.024 5.876 -3.761 1.00 0.00 C ATOM 699 OE1 GLN A 49 10.460 5.640 -4.830 1.00 0.00 O ATOM 700 NE2 GLN A 49 11.300 7.110 -3.355 1.00 0.00 N ATOM 0 H GLN A 49 9.744 3.172 0.326 1.00 0.00 H new ATOM 0 HA GLN A 49 12.443 3.458 -0.829 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.991 5.117 -1.304 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.504 5.974 -1.082 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.517 4.600 -2.913 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.965 3.824 -3.161 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.769 7.260 -2.462 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.043 7.908 -3.937 1.00 0.00 H new ATOM 709 N PRO A 50 13.007 4.073 1.524 1.00 0.00 N ATOM 710 CA PRO A 50 13.478 4.564 2.823 1.00 0.00 C ATOM 711 C PRO A 50 14.014 5.989 2.744 1.00 0.00 C ATOM 712 O PRO A 50 14.180 6.658 3.763 1.00 0.00 O ATOM 713 CB PRO A 50 14.601 3.590 3.184 1.00 0.00 C ATOM 714 CG PRO A 50 15.085 3.067 1.876 1.00 0.00 C ATOM 715 CD PRO A 50 13.881 3.022 0.977 1.00 0.00 C ATOM 0 HA PRO A 50 12.675 4.603 3.560 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.400 4.092 3.730 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.237 2.785 3.822 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.859 3.712 1.460 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.524 2.076 1.990 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.147 3.221 -0.061 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.398 2.045 1.001 1.00 0.00 H new ATOM 723 N GLY A 51 14.283 6.449 1.525 1.00 0.00 N ATOM 724 CA GLY A 51 14.797 7.793 1.336 1.00 0.00 C ATOM 725 C GLY A 51 13.759 8.858 1.629 1.00 0.00 C ATOM 726 O GLY A 51 14.049 9.850 2.300 1.00 0.00 O ATOM 0 H GLY A 51 14.154 5.915 0.666 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.660 7.943 1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.147 7.904 0.310 1.00 0.00 H new ATOM 730 N LEU A 52 12.546 8.654 1.127 1.00 0.00 N ATOM 731 CA LEU A 52 11.461 9.605 1.338 1.00 0.00 C ATOM 732 C LEU A 52 11.283 9.909 2.821 1.00 0.00 C ATOM 733 O LEU A 52 11.729 9.147 3.680 1.00 0.00 O ATOM 734 CB LEU A 52 10.156 9.057 0.757 1.00 0.00 C ATOM 735 CG LEU A 52 9.988 9.186 -0.757 1.00 0.00 C ATOM 736 CD1 LEU A 52 9.154 8.037 -1.301 1.00 0.00 C ATOM 737 CD2 LEU A 52 9.353 10.524 -1.111 1.00 0.00 C ATOM 0 H LEU A 52 12.289 7.838 0.571 1.00 0.00 H new ATOM 0 HA LEU A 52 11.719 10.532 0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.078 8.003 1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.324 9.569 1.240 1.00 0.00 H new ATOM 0 HG LEU A 52 10.975 9.142 -1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.045 8.146 -2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.649 7.091 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.169 8.049 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.241 10.599 -2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.373 10.598 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.989 11.334 -0.755 1.00 0.00 H new ATOM 749 N LEU A 53 10.627 11.026 3.117 1.00 0.00 N ATOM 750 CA LEU A 53 10.387 11.430 4.498 1.00 0.00 C ATOM 751 C LEU A 53 9.704 10.313 5.282 1.00 0.00 C ATOM 752 O LEU A 53 9.424 9.244 4.740 1.00 0.00 O ATOM 753 CB LEU A 53 9.529 12.695 4.539 1.00 0.00 C ATOM 754 CG LEU A 53 8.064 12.525 4.133 1.00 0.00 C ATOM 755 CD1 LEU A 53 7.934 11.504 3.015 1.00 0.00 C ATOM 756 CD2 LEU A 53 7.223 12.115 5.333 1.00 0.00 C ATOM 0 H LEU A 53 10.252 11.668 2.419 1.00 0.00 H new ATOM 0 HA LEU A 53 11.351 11.637 4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.560 13.099 5.551 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.983 13.439 3.885 1.00 0.00 H new ATOM 0 HG LEU A 53 7.695 13.483 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.885 11.397 2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.504 11.839 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.320 10.543 3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.184 11.999 5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.592 11.169 5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.290 12.883 6.104 1.00 0.00 H new ATOM 768 N GLU A 54 9.438 10.571 6.559 1.00 0.00 N ATOM 769 CA GLU A 54 8.787 9.587 7.415 1.00 0.00 C ATOM 770 C GLU A 54 7.387 10.049 7.809 1.00 0.00 C ATOM 771 O GLU A 54 7.065 11.237 7.772 1.00 0.00 O ATOM 772 CB GLU A 54 9.625 9.336 8.671 1.00 0.00 C ATOM 773 CG GLU A 54 10.777 8.370 8.451 1.00 0.00 C ATOM 774 CD GLU A 54 12.001 9.046 7.866 1.00 0.00 C ATOM 775 OE1 GLU A 54 12.288 10.196 8.260 1.00 0.00 O ATOM 776 OE2 GLU A 54 12.671 8.426 7.014 1.00 0.00 O ATOM 0 H GLU A 54 9.663 11.451 7.022 1.00 0.00 H new ATOM 0 HA GLU A 54 8.699 8.657 6.853 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.022 10.286 9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.979 8.945 9.457 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.042 7.905 9.400 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.454 7.571 7.784 1.00 0.00 H new ATOM 783 N PRO A 55 6.532 9.089 8.193 1.00 0.00 N ATOM 784 CA PRO A 55 5.154 9.374 8.600 1.00 0.00 C ATOM 785 C PRO A 55 5.083 10.107 9.935 1.00 0.00 C ATOM 786 O PRO A 55 4.000 10.318 10.482 1.00 0.00 O ATOM 787 CB PRO A 55 4.526 7.982 8.721 1.00 0.00 C ATOM 788 CG PRO A 55 5.672 7.073 8.997 1.00 0.00 C ATOM 789 CD PRO A 55 6.849 7.653 8.261 1.00 0.00 C ATOM 0 HA PRO A 55 4.646 10.027 7.890 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.791 7.948 9.525 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.009 7.700 7.804 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.872 7.012 10.067 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.458 6.061 8.654 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.784 7.472 8.791 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.957 7.217 7.268 1.00 0.00 H new ATOM 797 N SER A 56 6.243 10.495 10.454 1.00 0.00 N ATOM 798 CA SER A 56 6.313 11.204 11.727 1.00 0.00 C ATOM 799 C SER A 56 5.067 12.058 11.941 1.00 0.00 C ATOM 800 O SER A 56 4.559 12.163 13.058 1.00 0.00 O ATOM 801 CB SER A 56 7.564 12.083 11.777 1.00 0.00 C ATOM 802 OG SER A 56 8.742 11.295 11.773 1.00 0.00 O ATOM 0 H SER A 56 7.148 10.331 10.013 1.00 0.00 H new ATOM 0 HA SER A 56 6.367 10.464 12.526 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.572 12.759 10.922 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.541 12.703 12.673 1.00 0.00 H new ATOM 0 HG SER A 56 9.527 11.880 11.804 1.00 0.00 H new ATOM 808 N GLU A 57 4.582 12.668 10.864 1.00 0.00 N ATOM 809 CA GLU A 57 3.397 13.514 10.935 1.00 0.00 C ATOM 810 C GLU A 57 2.125 12.682 10.794 1.00 0.00 C ATOM 811 O GLU A 57 1.158 12.876 11.531 1.00 0.00 O ATOM 812 CB GLU A 57 3.442 14.586 9.844 1.00 0.00 C ATOM 813 CG GLU A 57 4.743 15.370 9.815 1.00 0.00 C ATOM 814 CD GLU A 57 4.639 16.643 8.999 1.00 0.00 C ATOM 815 OE1 GLU A 57 4.130 16.579 7.860 1.00 0.00 O ATOM 816 OE2 GLU A 57 5.066 17.705 9.499 1.00 0.00 O ATOM 0 H GLU A 57 4.991 12.592 9.933 1.00 0.00 H new ATOM 0 HA GLU A 57 3.387 13.999 11.911 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.292 14.112 8.874 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.613 15.279 9.992 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.035 15.620 10.835 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.532 14.742 9.402 1.00 0.00 H new ATOM 823 N LEU A 58 2.134 11.756 9.841 1.00 0.00 N ATOM 824 CA LEU A 58 0.982 10.894 9.601 1.00 0.00 C ATOM 825 C LEU A 58 0.520 10.229 10.895 1.00 0.00 C ATOM 826 O LEU A 58 -0.643 9.853 11.028 1.00 0.00 O ATOM 827 CB LEU A 58 1.326 9.827 8.561 1.00 0.00 C ATOM 828 CG LEU A 58 1.093 10.214 7.100 1.00 0.00 C ATOM 829 CD1 LEU A 58 2.018 11.350 6.695 1.00 0.00 C ATOM 830 CD2 LEU A 58 1.293 9.010 6.191 1.00 0.00 C ATOM 0 H LEU A 58 2.926 11.583 9.222 1.00 0.00 H new ATOM 0 HA LEU A 58 0.169 11.513 9.222 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.375 9.556 8.681 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.739 8.934 8.778 1.00 0.00 H new ATOM 0 HG LEU A 58 0.064 10.556 6.994 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.838 11.612 5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.826 12.218 7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.055 11.036 6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.123 9.304 5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.311 8.637 6.300 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.588 8.226 6.466 1.00 0.00 H new ATOM 842 N GLN A 59 1.440 10.092 11.844 1.00 0.00 N ATOM 843 CA GLN A 59 1.127 9.475 13.127 1.00 0.00 C ATOM 844 C GLN A 59 -0.053 10.174 13.794 1.00 0.00 C ATOM 845 O GLN A 59 -0.975 9.525 14.286 1.00 0.00 O ATOM 846 CB GLN A 59 2.347 9.517 14.049 1.00 0.00 C ATOM 847 CG GLN A 59 3.247 8.298 13.922 1.00 0.00 C ATOM 848 CD GLN A 59 4.544 8.448 14.693 1.00 0.00 C ATOM 849 OE1 GLN A 59 4.889 7.603 15.519 1.00 0.00 O ATOM 850 NE2 GLN A 59 5.271 9.527 14.426 1.00 0.00 N ATOM 0 H GLN A 59 2.408 10.400 11.749 1.00 0.00 H new ATOM 0 HA GLN A 59 0.854 8.436 12.944 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.928 10.412 13.828 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.009 9.603 15.082 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.714 7.418 14.283 1.00 0.00 H new ATOM 0 HG3 GLN A 59 3.472 8.125 12.870 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.947 10.202 13.733 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.154 9.681 14.914 1.00 0.00 H new ATOM 859 N GLY A 60 -0.017 11.504 13.806 1.00 0.00 N ATOM 860 CA GLY A 60 -1.089 12.268 14.416 1.00 0.00 C ATOM 861 C GLY A 60 -2.045 12.846 13.390 1.00 0.00 C ATOM 862 O GLY A 60 -2.595 13.930 13.585 1.00 0.00 O ATOM 0 H GLY A 60 0.735 12.065 13.405 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.642 11.628 15.103 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.663 13.078 15.008 1.00 0.00 H new ATOM 866 N LEU A 61 -2.241 12.123 12.294 1.00 0.00 N ATOM 867 CA LEU A 61 -3.136 12.571 11.232 1.00 0.00 C ATOM 868 C LEU A 61 -4.406 11.728 11.198 1.00 0.00 C ATOM 869 O LEU A 61 -4.516 10.724 11.901 1.00 0.00 O ATOM 870 CB LEU A 61 -2.427 12.501 9.878 1.00 0.00 C ATOM 871 CG LEU A 61 -1.663 13.756 9.454 1.00 0.00 C ATOM 872 CD1 LEU A 61 -0.876 13.497 8.179 1.00 0.00 C ATOM 873 CD2 LEU A 61 -2.619 14.925 9.266 1.00 0.00 C ATOM 0 H LEU A 61 -1.793 11.224 12.117 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.414 13.605 11.437 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.728 11.665 9.899 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.170 12.276 9.113 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.958 14.013 10.245 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.339 14.401 7.893 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.163 12.690 8.349 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.561 13.214 7.380 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.058 15.809 8.964 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.349 14.678 8.495 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.137 15.126 10.204 1.00 0.00 H new ATOM 885 N GLY A 62 -5.364 12.141 10.374 1.00 0.00 N ATOM 886 CA GLY A 62 -6.613 11.412 10.261 1.00 0.00 C ATOM 887 C GLY A 62 -6.519 10.246 9.297 1.00 0.00 C ATOM 888 O GLY A 62 -5.733 10.277 8.351 1.00 0.00 O ATOM 0 H GLY A 62 -5.297 12.969 9.782 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.905 11.044 11.244 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.398 12.092 9.929 1.00 0.00 H new ATOM 892 N ALA A 63 -7.320 9.214 9.538 1.00 0.00 N ATOM 893 CA ALA A 63 -7.325 8.033 8.684 1.00 0.00 C ATOM 894 C ALA A 63 -7.186 8.418 7.215 1.00 0.00 C ATOM 895 O ALA A 63 -6.448 7.781 6.462 1.00 0.00 O ATOM 896 CB ALA A 63 -8.597 7.228 8.903 1.00 0.00 C ATOM 0 H ALA A 63 -7.975 9.172 10.319 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.468 7.416 8.954 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.587 6.349 8.259 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.654 6.913 9.945 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.463 7.844 8.663 1.00 0.00 H new ATOM 902 N LEU A 64 -7.899 9.465 6.813 1.00 0.00 N ATOM 903 CA LEU A 64 -7.856 9.935 5.432 1.00 0.00 C ATOM 904 C LEU A 64 -6.580 10.727 5.166 1.00 0.00 C ATOM 905 O LEU A 64 -5.838 10.430 4.230 1.00 0.00 O ATOM 906 CB LEU A 64 -9.079 10.800 5.129 1.00 0.00 C ATOM 907 CG LEU A 64 -9.603 10.743 3.693 1.00 0.00 C ATOM 908 CD1 LEU A 64 -9.774 9.300 3.245 1.00 0.00 C ATOM 909 CD2 LEU A 64 -10.919 11.499 3.575 1.00 0.00 C ATOM 0 H LEU A 64 -8.513 10.004 7.423 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.864 9.064 4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.885 10.503 5.800 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.834 11.836 5.364 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.872 11.221 3.040 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.148 9.279 2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.813 8.788 3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.485 8.797 3.901 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.277 11.448 2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.657 11.050 4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.766 12.541 3.855 1.00 0.00 H new ATOM 921 N GLU A 65 -6.331 11.734 5.997 1.00 0.00 N ATOM 922 CA GLU A 65 -5.143 12.566 5.852 1.00 0.00 C ATOM 923 C GLU A 65 -3.931 11.725 5.465 1.00 0.00 C ATOM 924 O GLU A 65 -3.080 12.163 4.691 1.00 0.00 O ATOM 925 CB GLU A 65 -4.859 13.320 7.154 1.00 0.00 C ATOM 926 CG GLU A 65 -5.915 14.356 7.501 1.00 0.00 C ATOM 927 CD GLU A 65 -5.811 15.604 6.646 1.00 0.00 C ATOM 928 OE1 GLU A 65 -4.703 15.889 6.144 1.00 0.00 O ATOM 929 OE2 GLU A 65 -6.838 16.295 6.481 1.00 0.00 O ATOM 0 H GLU A 65 -6.935 11.993 6.777 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.332 13.286 5.056 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.784 12.602 7.971 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.890 13.814 7.074 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.905 13.916 7.377 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.818 14.631 8.551 1.00 0.00 H new ATOM 936 N ALA A 66 -3.862 10.514 6.007 1.00 0.00 N ATOM 937 CA ALA A 66 -2.756 9.609 5.717 1.00 0.00 C ATOM 938 C ALA A 66 -2.822 9.106 4.279 1.00 0.00 C ATOM 939 O ALA A 66 -1.960 9.426 3.458 1.00 0.00 O ATOM 940 CB ALA A 66 -2.764 8.438 6.688 1.00 0.00 C ATOM 0 H ALA A 66 -4.559 10.137 6.649 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.825 10.162 5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.933 7.770 6.460 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.661 8.810 7.707 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.703 7.893 6.593 1.00 0.00 H new ATOM 946 N THR A 67 -3.847 8.316 3.978 1.00 0.00 N ATOM 947 CA THR A 67 -4.023 7.767 2.640 1.00 0.00 C ATOM 948 C THR A 67 -3.645 8.787 1.573 1.00 0.00 C ATOM 949 O THR A 67 -3.027 8.446 0.565 1.00 0.00 O ATOM 950 CB THR A 67 -5.476 7.311 2.407 1.00 0.00 C ATOM 951 OG1 THR A 67 -5.870 6.386 3.426 1.00 0.00 O ATOM 952 CG2 THR A 67 -5.626 6.661 1.039 1.00 0.00 C ATOM 0 H THR A 67 -4.569 8.042 4.644 1.00 0.00 H new ATOM 0 HA THR A 67 -3.362 6.904 2.563 1.00 0.00 H new ATOM 0 HB THR A 67 -6.120 8.190 2.447 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.266 5.591 3.011 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.660 6.347 0.897 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.354 7.378 0.264 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.971 5.792 0.975 1.00 0.00 H new ATOM 960 N ALA A 68 -4.020 10.042 1.801 1.00 0.00 N ATOM 961 CA ALA A 68 -3.717 11.114 0.860 1.00 0.00 C ATOM 962 C ALA A 68 -2.238 11.117 0.490 1.00 0.00 C ATOM 963 O ALA A 68 -1.884 11.104 -0.689 1.00 0.00 O ATOM 964 CB ALA A 68 -4.119 12.459 1.446 1.00 0.00 C ATOM 0 H ALA A 68 -4.534 10.341 2.629 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.292 10.940 -0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.887 13.250 0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.189 12.460 1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.569 12.632 2.371 1.00 0.00 H new ATOM 970 N TRP A 69 -1.379 11.134 1.502 1.00 0.00 N ATOM 971 CA TRP A 69 0.062 11.140 1.282 1.00 0.00 C ATOM 972 C TRP A 69 0.493 9.926 0.466 1.00 0.00 C ATOM 973 O TRP A 69 1.024 10.064 -0.635 1.00 0.00 O ATOM 974 CB TRP A 69 0.804 11.159 2.620 1.00 0.00 C ATOM 975 CG TRP A 69 2.290 11.030 2.477 1.00 0.00 C ATOM 976 CD1 TRP A 69 3.189 12.045 2.308 1.00 0.00 C ATOM 977 CD2 TRP A 69 3.050 9.817 2.489 1.00 0.00 C ATOM 978 NE1 TRP A 69 4.461 11.535 2.215 1.00 0.00 N ATOM 979 CE2 TRP A 69 4.403 10.171 2.323 1.00 0.00 C ATOM 980 CE3 TRP A 69 2.720 8.466 2.624 1.00 0.00 C ATOM 981 CZ2 TRP A 69 5.422 9.222 2.288 1.00 0.00 C ATOM 982 CZ3 TRP A 69 3.732 7.526 2.589 1.00 0.00 C ATOM 983 CH2 TRP A 69 5.069 7.907 2.423 1.00 0.00 C ATOM 0 H TRP A 69 -1.656 11.144 2.484 1.00 0.00 H new ATOM 0 HA TRP A 69 0.315 12.040 0.722 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.576 12.089 3.141 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.434 10.345 3.244 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.937 13.094 2.255 1.00 0.00 H new ATOM 0 HE1 TRP A 69 5.311 12.084 2.086 1.00 0.00 H new ATOM 0 HE3 TRP A 69 1.692 8.162 2.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.454 9.514 2.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.487 6.479 2.691 1.00 0.00 H new ATOM 0 HH2 TRP A 69 5.837 7.148 2.401 1.00 0.00 H new ATOM 994 N ALA A 70 0.260 8.738 1.013 1.00 0.00 N ATOM 995 CA ALA A 70 0.623 7.500 0.334 1.00 0.00 C ATOM 996 C ALA A 70 0.377 7.605 -1.168 1.00 0.00 C ATOM 997 O ALA A 70 1.290 7.410 -1.971 1.00 0.00 O ATOM 998 CB ALA A 70 -0.156 6.331 0.917 1.00 0.00 C ATOM 0 H ALA A 70 -0.179 8.606 1.924 1.00 0.00 H new ATOM 0 HA ALA A 70 1.688 7.328 0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.125 5.413 0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.072 6.235 1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.224 6.506 0.790 1.00 0.00 H new ATOM 1004 N LEU A 71 -0.860 7.915 -1.539 1.00 0.00 N ATOM 1005 CA LEU A 71 -1.225 8.046 -2.946 1.00 0.00 C ATOM 1006 C LEU A 71 -0.354 9.087 -3.641 1.00 0.00 C ATOM 1007 O LEU A 71 -0.038 8.958 -4.824 1.00 0.00 O ATOM 1008 CB LEU A 71 -2.700 8.430 -3.076 1.00 0.00 C ATOM 1009 CG LEU A 71 -3.710 7.307 -2.840 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -5.025 7.871 -2.323 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -3.935 6.515 -4.121 1.00 0.00 C ATOM 0 H LEU A 71 -1.627 8.080 -0.887 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.062 7.083 -3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.909 9.234 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.863 8.834 -4.075 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.305 6.633 -2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.731 7.057 -2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.852 8.394 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.435 8.567 -3.055 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.657 5.720 -3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.318 7.178 -4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.992 6.079 -4.450 1.00 0.00 H new ATOM 1023 N LYS A 72 0.035 10.116 -2.897 1.00 0.00 N ATOM 1024 CA LYS A 72 0.874 11.179 -3.440 1.00 0.00 C ATOM 1025 C LYS A 72 2.302 10.687 -3.655 1.00 0.00 C ATOM 1026 O LYS A 72 2.781 10.620 -4.787 1.00 0.00 O ATOM 1027 CB LYS A 72 0.875 12.386 -2.499 1.00 0.00 C ATOM 1028 CG LYS A 72 1.209 13.696 -3.190 1.00 0.00 C ATOM 1029 CD LYS A 72 1.100 14.874 -2.237 1.00 0.00 C ATOM 1030 CE LYS A 72 1.573 16.164 -2.889 1.00 0.00 C ATOM 1031 NZ LYS A 72 0.592 16.673 -3.889 1.00 0.00 N ATOM 0 H LYS A 72 -0.217 10.237 -1.916 1.00 0.00 H new ATOM 0 HA LYS A 72 0.462 11.478 -4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.106 12.472 -2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.596 12.212 -1.700 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.220 13.647 -3.595 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.535 13.846 -4.033 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.065 14.987 -1.913 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.694 14.677 -1.344 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.735 16.921 -2.121 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.533 15.994 -3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.951 17.553 -4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.456 15.962 -4.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.317 16.860 -3.420 1.00 0.00 H new ATOM 1045 N VAL A 73 2.977 10.345 -2.564 1.00 0.00 N ATOM 1046 CA VAL A 73 4.349 9.856 -2.634 1.00 0.00 C ATOM 1047 C VAL A 73 4.453 8.640 -3.547 1.00 0.00 C ATOM 1048 O VAL A 73 5.522 8.339 -4.075 1.00 0.00 O ATOM 1049 CB VAL A 73 4.885 9.485 -1.238 1.00 0.00 C ATOM 1050 CG1 VAL A 73 6.188 8.709 -1.357 1.00 0.00 C ATOM 1051 CG2 VAL A 73 5.074 10.734 -0.391 1.00 0.00 C ATOM 0 H VAL A 73 2.596 10.397 -1.619 1.00 0.00 H new ATOM 0 HA VAL A 73 4.953 10.666 -3.043 1.00 0.00 H new ATOM 0 HB VAL A 73 4.153 8.847 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.552 8.455 -0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.016 7.795 -1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.930 9.321 -1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.453 10.453 0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.786 11.400 -0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.118 11.245 -0.279 1.00 0.00 H new ATOM 1061 N ALA A 74 3.335 7.946 -3.728 1.00 0.00 N ATOM 1062 CA ALA A 74 3.300 6.762 -4.579 1.00 0.00 C ATOM 1063 C ALA A 74 3.145 7.148 -6.047 1.00 0.00 C ATOM 1064 O ALA A 74 3.610 6.436 -6.936 1.00 0.00 O ATOM 1065 CB ALA A 74 2.170 5.839 -4.152 1.00 0.00 C ATOM 0 H ALA A 74 2.441 8.183 -3.297 1.00 0.00 H new ATOM 0 HA ALA A 74 4.247 6.234 -4.466 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.156 4.959 -4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.324 5.530 -3.118 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.219 6.365 -4.235 1.00 0.00 H new ATOM 1071 N GLU A 75 2.488 8.277 -6.292 1.00 0.00 N ATOM 1072 CA GLU A 75 2.272 8.753 -7.652 1.00 0.00 C ATOM 1073 C GLU A 75 3.435 9.627 -8.115 1.00 0.00 C ATOM 1074 O GLU A 75 3.652 9.806 -9.312 1.00 0.00 O ATOM 1075 CB GLU A 75 0.963 9.542 -7.737 1.00 0.00 C ATOM 1076 CG GLU A 75 0.640 10.036 -9.138 1.00 0.00 C ATOM 1077 CD GLU A 75 1.339 11.340 -9.472 1.00 0.00 C ATOM 1078 OE1 GLU A 75 1.514 12.172 -8.558 1.00 0.00 O ATOM 1079 OE2 GLU A 75 1.712 11.527 -10.649 1.00 0.00 O ATOM 0 H GLU A 75 2.097 8.878 -5.567 1.00 0.00 H new ATOM 0 HA GLU A 75 2.209 7.884 -8.308 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.146 8.912 -7.385 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.019 10.397 -7.063 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.931 9.276 -9.863 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.437 10.171 -9.232 1.00 0.00 H new ATOM 1086 N ASN A 76 4.180 10.167 -7.155 1.00 0.00 N ATOM 1087 CA ASN A 76 5.320 11.022 -7.463 1.00 0.00 C ATOM 1088 C ASN A 76 6.605 10.204 -7.551 1.00 0.00 C ATOM 1089 O ASN A 76 7.244 10.144 -8.601 1.00 0.00 O ATOM 1090 CB ASN A 76 5.468 12.112 -6.401 1.00 0.00 C ATOM 1091 CG ASN A 76 4.559 13.299 -6.659 1.00 0.00 C ATOM 1092 OD1 ASN A 76 4.694 13.990 -7.668 1.00 0.00 O ATOM 1093 ND2 ASN A 76 3.626 13.539 -5.745 1.00 0.00 N ATOM 0 H ASN A 76 4.014 10.027 -6.158 1.00 0.00 H new ATOM 0 HA ASN A 76 5.141 11.490 -8.431 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.244 11.693 -5.420 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.504 12.450 -6.374 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.985 14.323 -5.865 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.551 12.939 -4.923 1.00 0.00 H new ATOM 1100 N GLU A 77 6.977 9.575 -6.441 1.00 0.00 N ATOM 1101 CA GLU A 77 8.186 8.762 -6.393 1.00 0.00 C ATOM 1102 C GLU A 77 7.967 7.421 -7.088 1.00 0.00 C ATOM 1103 O GLU A 77 8.485 7.184 -8.181 1.00 0.00 O ATOM 1104 CB GLU A 77 8.615 8.531 -4.942 1.00 0.00 C ATOM 1105 CG GLU A 77 9.560 9.596 -4.410 1.00 0.00 C ATOM 1106 CD GLU A 77 10.761 9.812 -5.311 1.00 0.00 C ATOM 1107 OE1 GLU A 77 11.359 8.808 -5.750 1.00 0.00 O ATOM 1108 OE2 GLU A 77 11.103 10.983 -5.574 1.00 0.00 O ATOM 0 H GLU A 77 6.459 9.613 -5.563 1.00 0.00 H new ATOM 0 HA GLU A 77 8.976 9.300 -6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.727 8.497 -4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.098 7.557 -4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.018 10.536 -4.301 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.903 9.309 -3.416 1.00 0.00 H new ATOM 1115 N LEU A 78 7.197 6.548 -6.448 1.00 0.00 N ATOM 1116 CA LEU A 78 6.909 5.231 -7.004 1.00 0.00 C ATOM 1117 C LEU A 78 6.297 5.349 -8.397 1.00 0.00 C ATOM 1118 O LEU A 78 6.515 4.496 -9.256 1.00 0.00 O ATOM 1119 CB LEU A 78 5.961 4.462 -6.082 1.00 0.00 C ATOM 1120 CG LEU A 78 6.281 4.524 -4.588 1.00 0.00 C ATOM 1121 CD1 LEU A 78 5.391 3.567 -3.811 1.00 0.00 C ATOM 1122 CD2 LEU A 78 7.750 4.209 -4.343 1.00 0.00 C ATOM 0 H LEU A 78 6.761 6.729 -5.544 1.00 0.00 H new ATOM 0 HA LEU A 78 7.849 4.685 -7.085 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.951 4.843 -6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.956 3.416 -6.389 1.00 0.00 H new ATOM 0 HG LEU A 78 6.084 5.537 -4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.633 3.625 -2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.346 3.840 -3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.555 2.549 -4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.959 4.258 -3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.974 3.208 -4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.370 4.936 -4.868 1.00 0.00 H new ATOM 1134 N GLY A 79 5.532 6.413 -8.613 1.00 0.00 N ATOM 1135 CA GLY A 79 4.902 6.625 -9.903 1.00 0.00 C ATOM 1136 C GLY A 79 3.615 5.840 -10.055 1.00 0.00 C ATOM 1137 O GLY A 79 2.959 5.906 -11.096 1.00 0.00 O ATOM 0 H GLY A 79 5.337 7.133 -7.917 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.694 7.687 -10.032 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.595 6.338 -10.694 1.00 0.00 H new ATOM 1141 N ILE A 80 3.253 5.093 -9.018 1.00 0.00 N ATOM 1142 CA ILE A 80 2.036 4.291 -9.043 1.00 0.00 C ATOM 1143 C ILE A 80 0.795 5.176 -9.073 1.00 0.00 C ATOM 1144 O ILE A 80 0.233 5.514 -8.030 1.00 0.00 O ATOM 1145 CB ILE A 80 1.954 3.354 -7.823 1.00 0.00 C ATOM 1146 CG1 ILE A 80 3.212 2.487 -7.734 1.00 0.00 C ATOM 1147 CG2 ILE A 80 0.709 2.484 -7.904 1.00 0.00 C ATOM 1148 CD1 ILE A 80 3.322 1.467 -8.846 1.00 0.00 C ATOM 0 H ILE A 80 3.785 5.026 -8.150 1.00 0.00 H new ATOM 0 HA ILE A 80 2.073 3.690 -9.951 1.00 0.00 H new ATOM 0 HB ILE A 80 1.889 3.962 -6.921 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.090 3.132 -7.755 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.220 1.969 -6.775 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.666 1.828 -7.035 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.177 3.118 -7.924 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.745 1.882 -8.812 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.237 0.888 -8.720 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.462 0.798 -8.813 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.346 1.979 -9.808 1.00 0.00 H new ATOM 1160 N THR A 81 0.369 5.548 -10.276 1.00 0.00 N ATOM 1161 CA THR A 81 -0.807 6.393 -10.443 1.00 0.00 C ATOM 1162 C THR A 81 -1.946 5.935 -9.541 1.00 0.00 C ATOM 1163 O THR A 81 -2.208 4.742 -9.387 1.00 0.00 O ATOM 1164 CB THR A 81 -1.294 6.394 -11.904 1.00 0.00 C ATOM 1165 OG1 THR A 81 -0.253 6.865 -12.768 1.00 0.00 O ATOM 1166 CG2 THR A 81 -2.527 7.271 -12.063 1.00 0.00 C ATOM 0 H THR A 81 0.821 5.277 -11.149 1.00 0.00 H new ATOM 0 HA THR A 81 -0.511 7.405 -10.165 1.00 0.00 H new ATOM 0 HB THR A 81 -1.557 5.372 -12.176 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.570 6.861 -13.695 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.853 7.256 -13.103 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.327 6.893 -11.427 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.286 8.294 -11.773 1.00 0.00 H new ATOM 1174 N PRO A 82 -2.642 6.904 -8.926 1.00 0.00 N ATOM 1175 CA PRO A 82 -3.766 6.625 -8.029 1.00 0.00 C ATOM 1176 C PRO A 82 -4.983 6.087 -8.773 1.00 0.00 C ATOM 1177 O PRO A 82 -5.803 6.854 -9.279 1.00 0.00 O ATOM 1178 CB PRO A 82 -4.076 7.991 -7.413 1.00 0.00 C ATOM 1179 CG PRO A 82 -3.586 8.978 -8.415 1.00 0.00 C ATOM 1180 CD PRO A 82 -2.384 8.348 -9.064 1.00 0.00 C ATOM 0 HA PRO A 82 -3.520 5.857 -7.295 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.144 8.110 -7.230 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.572 8.117 -6.454 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.357 9.200 -9.153 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.322 9.921 -7.937 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.291 8.642 -10.110 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.459 8.641 -8.567 1.00 0.00 H new ATOM 1188 N VAL A 83 -5.095 4.764 -8.837 1.00 0.00 N ATOM 1189 CA VAL A 83 -6.214 4.124 -9.518 1.00 0.00 C ATOM 1190 C VAL A 83 -7.513 4.320 -8.746 1.00 0.00 C ATOM 1191 O VAL A 83 -8.602 4.278 -9.320 1.00 0.00 O ATOM 1192 CB VAL A 83 -5.965 2.615 -9.709 1.00 0.00 C ATOM 1193 CG1 VAL A 83 -6.349 1.848 -8.454 1.00 0.00 C ATOM 1194 CG2 VAL A 83 -6.734 2.098 -10.916 1.00 0.00 C ATOM 0 H VAL A 83 -4.425 4.115 -8.426 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.302 4.597 -10.496 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.901 2.459 -9.890 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.166 0.784 -8.607 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.751 2.201 -7.614 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.406 2.007 -8.239 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.547 1.031 -11.037 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -7.801 2.265 -10.767 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.406 2.627 -11.811 1.00 0.00 H new ATOM 1204 N VAL A 84 -7.393 4.535 -7.440 1.00 0.00 N ATOM 1205 CA VAL A 84 -8.558 4.740 -6.588 1.00 0.00 C ATOM 1206 C VAL A 84 -8.494 6.092 -5.887 1.00 0.00 C ATOM 1207 O VAL A 84 -7.417 6.655 -5.696 1.00 0.00 O ATOM 1208 CB VAL A 84 -8.680 3.629 -5.527 1.00 0.00 C ATOM 1209 CG1 VAL A 84 -9.743 3.986 -4.500 1.00 0.00 C ATOM 1210 CG2 VAL A 84 -8.990 2.295 -6.188 1.00 0.00 C ATOM 0 H VAL A 84 -6.500 4.572 -6.949 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.434 4.711 -7.236 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.726 3.538 -5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.815 3.190 -3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.472 4.919 -4.005 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.705 4.106 -4.999 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.073 1.521 -5.425 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.931 2.369 -6.733 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.189 2.037 -6.880 1.00 0.00 H new ATOM 1220 N SER A 85 -9.658 6.609 -5.505 1.00 0.00 N ATOM 1221 CA SER A 85 -9.737 7.898 -4.826 1.00 0.00 C ATOM 1222 C SER A 85 -9.455 7.745 -3.334 1.00 0.00 C ATOM 1223 O SER A 85 -10.033 6.887 -2.668 1.00 0.00 O ATOM 1224 CB SER A 85 -11.116 8.524 -5.036 1.00 0.00 C ATOM 1225 OG SER A 85 -11.221 9.110 -6.321 1.00 0.00 O ATOM 0 H SER A 85 -10.559 6.155 -5.654 1.00 0.00 H new ATOM 0 HA SER A 85 -8.979 8.554 -5.254 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.886 7.762 -4.917 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.295 9.281 -4.272 1.00 0.00 H new ATOM 0 HG SER A 85 -12.113 9.501 -6.430 1.00 0.00 H new ATOM 1231 N ALA A 86 -8.564 8.584 -2.818 1.00 0.00 N ATOM 1232 CA ALA A 86 -8.207 8.544 -1.405 1.00 0.00 C ATOM 1233 C ALA A 86 -9.429 8.265 -0.538 1.00 0.00 C ATOM 1234 O ALA A 86 -9.375 7.446 0.379 1.00 0.00 O ATOM 1235 CB ALA A 86 -7.549 9.853 -0.991 1.00 0.00 C ATOM 0 H ALA A 86 -8.076 9.300 -3.357 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.497 7.730 -1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.287 9.810 0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.647 10.010 -1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.241 10.678 -1.160 1.00 0.00 H new ATOM 1241 N GLN A 87 -10.528 8.952 -0.833 1.00 0.00 N ATOM 1242 CA GLN A 87 -11.763 8.778 -0.078 1.00 0.00 C ATOM 1243 C GLN A 87 -12.312 7.365 -0.249 1.00 0.00 C ATOM 1244 O GLN A 87 -12.686 6.712 0.724 1.00 0.00 O ATOM 1245 CB GLN A 87 -12.808 9.801 -0.526 1.00 0.00 C ATOM 1246 CG GLN A 87 -14.153 9.639 0.163 1.00 0.00 C ATOM 1247 CD GLN A 87 -15.229 10.518 -0.442 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -15.147 10.907 -1.608 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -16.247 10.838 0.348 1.00 0.00 N ATOM 0 H GLN A 87 -10.588 9.634 -1.589 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.539 8.936 0.977 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.428 10.804 -0.332 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.949 9.716 -1.604 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.465 8.596 0.102 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.046 9.879 1.221 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -16.275 10.494 1.308 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -17.001 11.428 -0.005 1.00 0.00 H new ATOM 1258 N ALA A 88 -12.356 6.900 -1.494 1.00 0.00 N ATOM 1259 CA ALA A 88 -12.857 5.564 -1.793 1.00 0.00 C ATOM 1260 C ALA A 88 -12.108 4.505 -0.991 1.00 0.00 C ATOM 1261 O ALA A 88 -12.717 3.605 -0.410 1.00 0.00 O ATOM 1262 CB ALA A 88 -12.744 5.280 -3.283 1.00 0.00 C ATOM 0 H ALA A 88 -12.051 7.429 -2.311 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.908 5.523 -1.506 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.122 4.279 -3.492 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.330 6.012 -3.838 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.699 5.345 -3.588 1.00 0.00 H new ATOM 1268 N VAL A 89 -10.783 4.616 -0.964 1.00 0.00 N ATOM 1269 CA VAL A 89 -9.952 3.668 -0.234 1.00 0.00 C ATOM 1270 C VAL A 89 -10.370 3.583 1.230 1.00 0.00 C ATOM 1271 O VAL A 89 -10.634 2.499 1.749 1.00 0.00 O ATOM 1272 CB VAL A 89 -8.463 4.054 -0.309 1.00 0.00 C ATOM 1273 CG1 VAL A 89 -7.620 3.099 0.523 1.00 0.00 C ATOM 1274 CG2 VAL A 89 -7.990 4.073 -1.755 1.00 0.00 C ATOM 0 H VAL A 89 -10.263 5.353 -1.440 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.093 2.696 -0.706 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.345 5.057 0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.571 3.388 0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.943 3.140 1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.741 2.084 0.145 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.936 4.348 -1.789 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.122 3.084 -2.194 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.573 4.801 -2.319 1.00 0.00 H new ATOM 1284 N VAL A 90 -10.431 4.735 1.890 1.00 0.00 N ATOM 1285 CA VAL A 90 -10.818 4.791 3.294 1.00 0.00 C ATOM 1286 C VAL A 90 -12.324 4.617 3.455 1.00 0.00 C ATOM 1287 O VAL A 90 -12.787 3.636 4.038 1.00 0.00 O ATOM 1288 CB VAL A 90 -10.396 6.124 3.940 1.00 0.00 C ATOM 1289 CG1 VAL A 90 -10.787 6.153 5.410 1.00 0.00 C ATOM 1290 CG2 VAL A 90 -8.900 6.346 3.773 1.00 0.00 C ATOM 0 H VAL A 90 -10.217 5.642 1.475 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.303 3.973 3.797 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.920 6.935 3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.481 7.102 5.849 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -11.868 6.043 5.501 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.293 5.335 5.934 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.619 7.292 4.235 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.356 5.532 4.252 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.652 6.373 2.712 1.00 0.00 H new ATOM 1300 N ALA A 91 -13.085 5.574 2.934 1.00 0.00 N ATOM 1301 CA ALA A 91 -14.539 5.525 3.018 1.00 0.00 C ATOM 1302 C ALA A 91 -15.048 4.093 2.883 1.00 0.00 C ATOM 1303 O ALA A 91 -16.029 3.710 3.520 1.00 0.00 O ATOM 1304 CB ALA A 91 -15.160 6.410 1.948 1.00 0.00 C ATOM 0 H ALA A 91 -12.718 6.393 2.449 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.834 5.898 3.999 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.246 6.363 2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -14.830 7.439 2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -14.849 6.062 0.963 1.00 0.00 H new ATOM 1310 N GLY A 92 -14.376 3.306 2.049 1.00 0.00 N ATOM 1311 CA GLY A 92 -14.776 1.926 1.846 1.00 0.00 C ATOM 1312 C GLY A 92 -15.923 1.794 0.864 1.00 0.00 C ATOM 1313 O GLY A 92 -16.888 1.074 1.119 1.00 0.00 O ATOM 0 H GLY A 92 -13.561 3.600 1.510 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.923 1.353 1.483 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -15.068 1.491 2.802 1.00 0.00 H new ATOM 1317 N SER A 93 -15.819 2.491 -0.263 1.00 0.00 N ATOM 1318 CA SER A 93 -16.858 2.454 -1.285 1.00 0.00 C ATOM 1319 C SER A 93 -16.446 1.552 -2.446 1.00 0.00 C ATOM 1320 O SER A 93 -17.244 0.757 -2.942 1.00 0.00 O ATOM 1321 CB SER A 93 -17.149 3.865 -1.800 1.00 0.00 C ATOM 1322 OG SER A 93 -18.180 3.850 -2.772 1.00 0.00 O ATOM 0 H SER A 93 -15.025 3.089 -0.491 1.00 0.00 H new ATOM 0 HA SER A 93 -17.762 2.047 -0.833 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.439 4.507 -0.968 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.244 4.292 -2.232 1.00 0.00 H new ATOM 0 HG SER A 93 -18.348 4.763 -3.085 1.00 0.00 H new ATOM 1328 N ASP A 94 -15.195 1.683 -2.872 1.00 0.00 N ATOM 1329 CA ASP A 94 -14.675 0.882 -3.974 1.00 0.00 C ATOM 1330 C ASP A 94 -13.648 -0.129 -3.472 1.00 0.00 C ATOM 1331 O ASP A 94 -12.444 0.128 -3.456 1.00 0.00 O ATOM 1332 CB ASP A 94 -14.045 1.782 -5.036 1.00 0.00 C ATOM 1333 CG ASP A 94 -14.963 2.914 -5.454 1.00 0.00 C ATOM 1334 OD1 ASP A 94 -15.437 3.653 -4.565 1.00 0.00 O ATOM 1335 OD2 ASP A 94 -15.207 3.062 -6.670 1.00 0.00 O ATOM 0 H ASP A 94 -14.522 2.336 -2.471 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.508 0.338 -4.419 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.114 2.197 -4.651 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -13.790 1.183 -5.910 1.00 0.00 H new ATOM 1340 N PRO A 95 -14.133 -1.307 -3.051 1.00 0.00 N ATOM 1341 CA PRO A 95 -13.273 -2.380 -2.540 1.00 0.00 C ATOM 1342 C PRO A 95 -12.422 -3.011 -3.636 1.00 0.00 C ATOM 1343 O PRO A 95 -11.336 -3.529 -3.372 1.00 0.00 O ATOM 1344 CB PRO A 95 -14.272 -3.399 -1.985 1.00 0.00 C ATOM 1345 CG PRO A 95 -15.527 -3.157 -2.751 1.00 0.00 C ATOM 1346 CD PRO A 95 -15.556 -1.682 -3.042 1.00 0.00 C ATOM 0 HA PRO A 95 -12.560 -2.015 -1.801 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.915 -4.419 -2.123 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.428 -3.258 -0.915 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.539 -3.737 -3.674 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -16.401 -3.458 -2.174 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -16.033 -1.471 -3.999 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -16.111 -1.133 -2.281 1.00 0.00 H new ATOM 1354 N LEU A 96 -12.920 -2.964 -4.867 1.00 0.00 N ATOM 1355 CA LEU A 96 -12.203 -3.533 -6.004 1.00 0.00 C ATOM 1356 C LEU A 96 -11.030 -2.645 -6.406 1.00 0.00 C ATOM 1357 O LEU A 96 -9.921 -3.127 -6.628 1.00 0.00 O ATOM 1358 CB LEU A 96 -13.152 -3.713 -7.190 1.00 0.00 C ATOM 1359 CG LEU A 96 -14.118 -4.895 -7.104 1.00 0.00 C ATOM 1360 CD1 LEU A 96 -15.400 -4.484 -6.398 1.00 0.00 C ATOM 1361 CD2 LEU A 96 -14.421 -5.439 -8.492 1.00 0.00 C ATOM 0 H LEU A 96 -13.816 -2.538 -5.103 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.813 -4.507 -5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.736 -2.800 -7.304 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.554 -3.824 -8.095 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.644 -5.686 -6.523 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.076 -5.337 -6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.167 -4.143 -5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.878 -3.676 -6.952 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.110 -6.280 -8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.875 -4.655 -9.099 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.496 -5.772 -8.962 1.00 0.00 H new ATOM 1373 N GLY A 97 -11.284 -1.342 -6.496 1.00 0.00 N ATOM 1374 CA GLY A 97 -10.239 -0.407 -6.870 1.00 0.00 C ATOM 1375 C GLY A 97 -8.973 -0.597 -6.057 1.00 0.00 C ATOM 1376 O GLY A 97 -7.879 -0.698 -6.613 1.00 0.00 O ATOM 0 H GLY A 97 -12.194 -0.918 -6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -10.009 -0.528 -7.929 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.603 0.612 -6.737 1.00 0.00 H new ATOM 1380 N LEU A 98 -9.121 -0.644 -4.738 1.00 0.00 N ATOM 1381 CA LEU A 98 -7.980 -0.821 -3.846 1.00 0.00 C ATOM 1382 C LEU A 98 -7.106 -1.983 -4.305 1.00 0.00 C ATOM 1383 O LEU A 98 -5.897 -1.830 -4.487 1.00 0.00 O ATOM 1384 CB LEU A 98 -8.460 -1.063 -2.414 1.00 0.00 C ATOM 1385 CG LEU A 98 -7.385 -1.472 -1.406 1.00 0.00 C ATOM 1386 CD1 LEU A 98 -6.320 -0.393 -1.293 1.00 0.00 C ATOM 1387 CD2 LEU A 98 -8.009 -1.755 -0.047 1.00 0.00 C ATOM 0 H LEU A 98 -10.019 -0.562 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.384 0.091 -3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.940 -0.153 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.225 -1.840 -2.435 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.909 -2.386 -1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.564 -0.702 -0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.852 -0.240 -2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.779 0.538 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.230 -2.045 0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.512 -0.859 0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.733 -2.565 -0.140 1.00 0.00 H new ATOM 1399 N ILE A 99 -7.724 -3.144 -4.493 1.00 0.00 N ATOM 1400 CA ILE A 99 -7.003 -4.331 -4.935 1.00 0.00 C ATOM 1401 C ILE A 99 -6.152 -4.032 -6.164 1.00 0.00 C ATOM 1402 O ILE A 99 -4.944 -4.264 -6.167 1.00 0.00 O ATOM 1403 CB ILE A 99 -7.966 -5.488 -5.260 1.00 0.00 C ATOM 1404 CG1 ILE A 99 -8.822 -5.825 -4.037 1.00 0.00 C ATOM 1405 CG2 ILE A 99 -7.189 -6.711 -5.723 1.00 0.00 C ATOM 1406 CD1 ILE A 99 -10.030 -6.676 -4.363 1.00 0.00 C ATOM 0 H ILE A 99 -8.723 -3.288 -4.346 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.355 -4.630 -4.111 1.00 0.00 H new ATOM 0 HB ILE A 99 -8.627 -5.175 -6.069 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -8.206 -6.347 -3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.155 -4.898 -3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.884 -7.520 -5.949 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.619 -6.462 -6.618 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.507 -7.029 -4.935 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -10.591 -6.876 -3.450 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -10.667 -6.147 -5.072 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -9.703 -7.618 -4.802 1.00 0.00 H new ATOM 1418 N ALA A 100 -6.792 -3.514 -7.208 1.00 0.00 N ATOM 1419 CA ALA A 100 -6.094 -3.178 -8.443 1.00 0.00 C ATOM 1420 C ALA A 100 -4.964 -2.188 -8.183 1.00 0.00 C ATOM 1421 O ALA A 100 -3.929 -2.224 -8.848 1.00 0.00 O ATOM 1422 CB ALA A 100 -7.069 -2.612 -9.464 1.00 0.00 C ATOM 0 H ALA A 100 -7.793 -3.318 -7.223 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.656 -4.092 -8.843 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.533 -2.366 -10.381 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.839 -3.352 -9.681 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.534 -1.712 -9.063 1.00 0.00 H new ATOM 1428 N TYR A 101 -5.169 -1.304 -7.212 1.00 0.00 N ATOM 1429 CA TYR A 101 -4.169 -0.301 -6.867 1.00 0.00 C ATOM 1430 C TYR A 101 -2.918 -0.957 -6.290 1.00 0.00 C ATOM 1431 O TYR A 101 -1.804 -0.719 -6.759 1.00 0.00 O ATOM 1432 CB TYR A 101 -4.744 0.700 -5.864 1.00 0.00 C ATOM 1433 CG TYR A 101 -3.804 1.839 -5.538 1.00 0.00 C ATOM 1434 CD1 TYR A 101 -3.194 2.572 -6.548 1.00 0.00 C ATOM 1435 CD2 TYR A 101 -3.525 2.181 -4.221 1.00 0.00 C ATOM 1436 CE1 TYR A 101 -2.335 3.614 -6.256 1.00 0.00 C ATOM 1437 CE2 TYR A 101 -2.669 3.221 -3.919 1.00 0.00 C ATOM 1438 CZ TYR A 101 -2.076 3.934 -4.940 1.00 0.00 C ATOM 1439 OH TYR A 101 -1.220 4.970 -4.643 1.00 0.00 O ATOM 0 H TYR A 101 -6.019 -1.262 -6.650 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.892 0.229 -7.779 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.672 1.109 -6.263 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.997 0.174 -4.943 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.395 2.323 -7.580 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -3.986 1.623 -3.419 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.869 4.174 -7.053 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.465 3.475 -2.889 1.00 0.00 H new ATOM 0 HH TYR A 101 -1.075 5.515 -5.445 1.00 0.00 H new ATOM 1449 N LEU A 102 -3.110 -1.784 -5.267 1.00 0.00 N ATOM 1450 CA LEU A 102 -1.998 -2.475 -4.623 1.00 0.00 C ATOM 1451 C LEU A 102 -1.208 -3.297 -5.636 1.00 0.00 C ATOM 1452 O LEU A 102 0.022 -3.311 -5.615 1.00 0.00 O ATOM 1453 CB LEU A 102 -2.515 -3.380 -3.505 1.00 0.00 C ATOM 1454 CG LEU A 102 -3.286 -2.688 -2.381 1.00 0.00 C ATOM 1455 CD1 LEU A 102 -3.921 -3.715 -1.456 1.00 0.00 C ATOM 1456 CD2 LEU A 102 -2.369 -1.758 -1.600 1.00 0.00 C ATOM 0 H LEU A 102 -4.025 -1.992 -4.866 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.333 -1.724 -4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.161 -4.138 -3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.665 -3.903 -3.066 1.00 0.00 H new ATOM 0 HG LEU A 102 -4.082 -2.091 -2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.465 -3.203 -0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.610 -4.339 -2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -3.143 -4.340 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.934 -1.274 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.551 -2.333 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -1.964 -1.000 -2.270 1.00 0.00 H new ATOM 1468 N SER A 103 -1.925 -3.980 -6.523 1.00 0.00 N ATOM 1469 CA SER A 103 -1.292 -4.807 -7.544 1.00 0.00 C ATOM 1470 C SER A 103 -0.219 -4.021 -8.291 1.00 0.00 C ATOM 1471 O SER A 103 0.860 -4.539 -8.578 1.00 0.00 O ATOM 1472 CB SER A 103 -2.339 -5.328 -8.531 1.00 0.00 C ATOM 1473 OG SER A 103 -2.536 -4.413 -9.595 1.00 0.00 O ATOM 0 H SER A 103 -2.944 -3.977 -6.555 1.00 0.00 H new ATOM 0 HA SER A 103 -0.818 -5.654 -7.048 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.020 -6.291 -8.930 1.00 0.00 H new ATOM 0 HB3 SER A 103 -3.282 -5.495 -8.011 1.00 0.00 H new ATOM 0 HG SER A 103 -3.163 -3.714 -9.314 1.00 0.00 H new ATOM 1479 N HIS A 104 -0.525 -2.766 -8.604 1.00 0.00 N ATOM 1480 CA HIS A 104 0.412 -1.905 -9.318 1.00 0.00 C ATOM 1481 C HIS A 104 1.754 -1.843 -8.592 1.00 0.00 C ATOM 1482 O HIS A 104 2.811 -1.828 -9.222 1.00 0.00 O ATOM 1483 CB HIS A 104 -0.166 -0.497 -9.467 1.00 0.00 C ATOM 1484 CG HIS A 104 -1.255 -0.404 -10.490 1.00 0.00 C ATOM 1485 ND1 HIS A 104 -1.471 0.721 -11.260 1.00 0.00 N ATOM 1486 CD2 HIS A 104 -2.194 -1.302 -10.869 1.00 0.00 C ATOM 1487 CE1 HIS A 104 -2.495 0.509 -12.066 1.00 0.00 C ATOM 1488 NE2 HIS A 104 -2.951 -0.711 -11.850 1.00 0.00 N ATOM 0 H HIS A 104 -1.414 -2.322 -8.375 1.00 0.00 H new ATOM 0 HA HIS A 104 0.573 -2.329 -10.309 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.555 -0.168 -8.503 1.00 0.00 H new ATOM 0 HB3 HIS A 104 0.636 0.190 -9.738 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -2.324 -2.298 -10.473 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -2.892 1.214 -12.781 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -3.738 -1.144 -12.333 1.00 0.00 H new ATOM 1497 N PHE A 105 1.701 -1.806 -7.265 1.00 0.00 N ATOM 1498 CA PHE A 105 2.911 -1.743 -6.453 1.00 0.00 C ATOM 1499 C PHE A 105 3.741 -3.013 -6.615 1.00 0.00 C ATOM 1500 O PHE A 105 4.846 -2.981 -7.157 1.00 0.00 O ATOM 1501 CB PHE A 105 2.553 -1.538 -4.980 1.00 0.00 C ATOM 1502 CG PHE A 105 2.193 -0.120 -4.641 1.00 0.00 C ATOM 1503 CD1 PHE A 105 1.051 0.463 -5.163 1.00 0.00 C ATOM 1504 CD2 PHE A 105 3.001 0.631 -3.801 1.00 0.00 C ATOM 1505 CE1 PHE A 105 0.718 1.769 -4.853 1.00 0.00 C ATOM 1506 CE2 PHE A 105 2.673 1.936 -3.487 1.00 0.00 C ATOM 1507 CZ PHE A 105 1.531 2.506 -4.015 1.00 0.00 C ATOM 0 H PHE A 105 0.833 -1.819 -6.729 1.00 0.00 H new ATOM 0 HA PHE A 105 3.505 -0.896 -6.796 1.00 0.00 H new ATOM 0 HB2 PHE A 105 1.716 -2.188 -4.724 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.397 -1.847 -4.363 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.413 -0.109 -5.820 1.00 0.00 H new ATOM 0 HD2 PHE A 105 3.897 0.191 -3.388 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.176 2.212 -5.266 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.309 2.510 -2.829 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.274 3.527 -3.773 1.00 0.00 H new ATOM 1517 N HIS A 106 3.200 -4.130 -6.140 1.00 0.00 N ATOM 1518 CA HIS A 106 3.889 -5.413 -6.232 1.00 0.00 C ATOM 1519 C HIS A 106 4.380 -5.665 -7.654 1.00 0.00 C ATOM 1520 O HIS A 106 5.580 -5.798 -7.894 1.00 0.00 O ATOM 1521 CB HIS A 106 2.964 -6.547 -5.790 1.00 0.00 C ATOM 1522 CG HIS A 106 3.622 -7.892 -5.793 1.00 0.00 C ATOM 1523 ND1 HIS A 106 2.982 -9.041 -6.206 1.00 0.00 N ATOM 1524 CD2 HIS A 106 4.871 -8.267 -5.431 1.00 0.00 C ATOM 1525 CE1 HIS A 106 3.808 -10.067 -6.097 1.00 0.00 C ATOM 1526 NE2 HIS A 106 4.961 -9.624 -5.630 1.00 0.00 N ATOM 0 H HIS A 106 2.287 -4.173 -5.688 1.00 0.00 H new ATOM 0 HA HIS A 106 4.753 -5.381 -5.568 1.00 0.00 H new ATOM 0 HB2 HIS A 106 2.596 -6.334 -4.786 1.00 0.00 H new ATOM 0 HB3 HIS A 106 2.096 -6.575 -6.449 1.00 0.00 H new ATOM 0 HD2 HIS A 106 5.651 -7.621 -5.056 1.00 0.00 H new ATOM 0 HE1 HIS A 106 3.579 -11.092 -6.347 1.00 0.00 H new ATOM 0 HE2 HIS A 106 5.785 -10.196 -5.447 1.00 0.00 H new ATOM 1535 N SER A 107 3.443 -5.732 -8.595 1.00 0.00 N ATOM 1536 CA SER A 107 3.780 -5.973 -9.993 1.00 0.00 C ATOM 1537 C SER A 107 5.087 -5.282 -10.365 1.00 0.00 C ATOM 1538 O SER A 107 5.832 -5.757 -11.222 1.00 0.00 O ATOM 1539 CB SER A 107 2.653 -5.481 -10.904 1.00 0.00 C ATOM 1540 OG SER A 107 1.544 -6.362 -10.865 1.00 0.00 O ATOM 0 H SER A 107 2.445 -5.623 -8.414 1.00 0.00 H new ATOM 0 HA SER A 107 3.906 -7.047 -10.130 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.340 -4.484 -10.594 1.00 0.00 H new ATOM 0 HB3 SER A 107 3.019 -5.397 -11.927 1.00 0.00 H new ATOM 0 HG SER A 107 0.936 -6.091 -10.146 1.00 0.00 H new ATOM 1546 N ALA A 108 5.361 -4.157 -9.713 1.00 0.00 N ATOM 1547 CA ALA A 108 6.579 -3.400 -9.972 1.00 0.00 C ATOM 1548 C ALA A 108 7.703 -3.831 -9.035 1.00 0.00 C ATOM 1549 O ALA A 108 8.836 -4.042 -9.465 1.00 0.00 O ATOM 1550 CB ALA A 108 6.314 -1.909 -9.830 1.00 0.00 C ATOM 0 H ALA A 108 4.755 -3.750 -9.001 1.00 0.00 H new ATOM 0 HA ALA A 108 6.895 -3.606 -10.995 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.233 -1.356 -10.026 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.548 -1.606 -10.544 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.971 -1.695 -8.818 1.00 0.00 H new ATOM 1556 N PHE A 109 7.380 -3.958 -7.752 1.00 0.00 N ATOM 1557 CA PHE A 109 8.363 -4.362 -6.754 1.00 0.00 C ATOM 1558 C PHE A 109 8.228 -5.846 -6.425 1.00 0.00 C ATOM 1559 O PHE A 109 8.428 -6.262 -5.284 1.00 0.00 O ATOM 1560 CB PHE A 109 8.200 -3.529 -5.480 1.00 0.00 C ATOM 1561 CG PHE A 109 8.681 -2.114 -5.623 1.00 0.00 C ATOM 1562 CD1 PHE A 109 10.020 -1.802 -5.451 1.00 0.00 C ATOM 1563 CD2 PHE A 109 7.794 -1.094 -5.931 1.00 0.00 C ATOM 1564 CE1 PHE A 109 10.464 -0.500 -5.582 1.00 0.00 C ATOM 1565 CE2 PHE A 109 8.232 0.209 -6.064 1.00 0.00 C ATOM 1566 CZ PHE A 109 9.570 0.507 -5.889 1.00 0.00 C ATOM 0 H PHE A 109 6.446 -3.787 -7.380 1.00 0.00 H new ATOM 0 HA PHE A 109 9.356 -4.189 -7.169 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.148 -3.519 -5.194 1.00 0.00 H new ATOM 0 HB3 PHE A 109 8.747 -4.010 -4.669 1.00 0.00 H new ATOM 0 HD1 PHE A 109 10.724 -2.585 -5.212 1.00 0.00 H new ATOM 0 HD2 PHE A 109 6.747 -1.321 -6.069 1.00 0.00 H new ATOM 0 HE1 PHE A 109 11.510 -0.270 -5.444 1.00 0.00 H new ATOM 0 HE2 PHE A 109 7.530 0.994 -6.304 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.916 1.525 -5.992 1.00 0.00 H new ATOM 1576 N LYS A 110 7.885 -6.640 -7.435 1.00 0.00 N ATOM 1577 CA LYS A 110 7.722 -8.077 -7.257 1.00 0.00 C ATOM 1578 C LYS A 110 9.015 -8.714 -6.755 1.00 0.00 C ATOM 1579 O LYS A 110 10.043 -8.668 -7.430 1.00 0.00 O ATOM 1580 CB LYS A 110 7.298 -8.731 -8.574 1.00 0.00 C ATOM 1581 CG LYS A 110 5.792 -8.802 -8.760 1.00 0.00 C ATOM 1582 CD LYS A 110 5.401 -9.908 -9.726 1.00 0.00 C ATOM 1583 CE LYS A 110 4.033 -10.482 -9.392 1.00 0.00 C ATOM 1584 NZ LYS A 110 2.938 -9.519 -9.694 1.00 0.00 N ATOM 0 H LYS A 110 7.715 -6.311 -8.385 1.00 0.00 H new ATOM 0 HA LYS A 110 6.944 -8.238 -6.511 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.732 -8.173 -9.404 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.709 -9.739 -8.618 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.313 -8.974 -7.796 1.00 0.00 H new ATOM 0 HG3 LYS A 110 5.425 -7.846 -9.133 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.394 -9.518 -10.744 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.148 -10.702 -9.694 1.00 0.00 H new ATOM 0 HE2 LYS A 110 3.876 -11.400 -9.959 1.00 0.00 H new ATOM 0 HE3 LYS A 110 4.000 -10.750 -8.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 2.018 -9.982 -9.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 3.015 -8.697 -9.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 3.015 -9.204 -10.682 1.00 0.00 H new