USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=17 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 Single : A 16 CYS SG : rot -18:sc= 0.688 USER MOD Single : A 17 GLN : amide:sc= 0.0793 K(o=0.079,f=-1.2) USER MOD Single : A 19 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.15) USER MOD Single : A 20 THR OG1 : rot -83:sc= 1.29 USER MOD Single : A 23 TYR OH : rot 30:sc= -3.92! USER MOD Single : A 27 HIS : no HD1:sc= -2.75! C(o=-2.8!,f=-3.7!) USER MOD Single : A 29 SER OG : rot -87:sc= 0.129 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 80:sc= -0.3 USER MOD Single : A 42 CYS SG : rot 58:sc= -1.82 USER MOD Single : A 46 TYR OH : rot 75:sc= 0.935 USER MOD Single : A 49 GLN : amide:sc= 0.781 K(o=0.78,f=-0.27) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -1.52 K(o=-1.5,f=-0.68) USER MOD Single : A 67 THR OG1 : rot -132:sc= -1.4 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.854 K(o=-0.85,f=-0.23) 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 X(o=0,f=-0.41) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 39:sc= -1.73! USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -3.41! K(o=-3.4!,f=-1.3) USER MOD Single : A 106 HIS : no HD1:sc= -9! C(o=-9!,f=-4.8!) USER MOD Single : A 107 SER OG : rot -62:sc= 0.305 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N GLU A 11 -1.463 -14.036 -2.863 1.00 0.00 N ATOM 113 CA GLU A 11 -0.053 -13.667 -2.895 1.00 0.00 C ATOM 114 C GLU A 11 0.120 -12.159 -2.748 1.00 0.00 C ATOM 115 O GLU A 11 1.027 -11.689 -2.060 1.00 0.00 O ATOM 116 CB GLU A 11 0.592 -14.140 -4.199 1.00 0.00 C ATOM 117 CG GLU A 11 2.101 -14.290 -4.115 1.00 0.00 C ATOM 118 CD GLU A 11 2.771 -14.229 -5.474 1.00 0.00 C ATOM 119 OE1 GLU A 11 2.366 -13.381 -6.296 1.00 0.00 O ATOM 120 OE2 GLU A 11 3.700 -15.027 -5.714 1.00 0.00 O ATOM 0 HA GLU A 11 0.441 -14.155 -2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.156 -15.098 -4.483 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.350 -13.432 -4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.506 -13.502 -3.479 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.342 -15.240 -3.638 1.00 0.00 H new ATOM 127 N LEU A 12 -0.758 -11.403 -3.399 1.00 0.00 N ATOM 128 CA LEU A 12 -0.705 -9.946 -3.343 1.00 0.00 C ATOM 129 C LEU A 12 -0.745 -9.456 -1.899 1.00 0.00 C ATOM 130 O LEU A 12 -0.019 -8.534 -1.525 1.00 0.00 O ATOM 131 CB LEU A 12 -1.867 -9.342 -4.132 1.00 0.00 C ATOM 132 CG LEU A 12 -2.007 -7.821 -4.064 1.00 0.00 C ATOM 133 CD1 LEU A 12 -0.828 -7.147 -4.750 1.00 0.00 C ATOM 134 CD2 LEU A 12 -3.318 -7.376 -4.694 1.00 0.00 C ATOM 0 H LEU A 12 -1.515 -11.775 -3.972 1.00 0.00 H new ATOM 0 HA LEU A 12 0.235 -9.623 -3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.758 -9.630 -5.178 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.794 -9.788 -3.773 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.012 -7.522 -3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.944 -6.065 -4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.097 -7.440 -4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.792 -7.453 -5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.400 -6.291 -4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.344 -7.687 -5.738 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.152 -7.832 -4.159 1.00 0.00 H new ATOM 146 N LEU A 13 -1.597 -10.079 -1.092 1.00 0.00 N ATOM 147 CA LEU A 13 -1.731 -9.707 0.312 1.00 0.00 C ATOM 148 C LEU A 13 -0.482 -10.093 1.099 1.00 0.00 C ATOM 149 O LEU A 13 0.047 -9.294 1.873 1.00 0.00 O ATOM 150 CB LEU A 13 -2.961 -10.382 0.924 1.00 0.00 C ATOM 151 CG LEU A 13 -2.954 -10.537 2.445 1.00 0.00 C ATOM 152 CD1 LEU A 13 -3.271 -9.211 3.119 1.00 0.00 C ATOM 153 CD2 LEU A 13 -3.946 -11.607 2.875 1.00 0.00 C ATOM 0 H LEU A 13 -2.205 -10.844 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.853 -8.625 0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.844 -9.809 0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.067 -11.371 0.478 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.956 -10.848 2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.261 -9.341 4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.522 -8.471 2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.257 -8.869 2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.928 -11.704 3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.948 -11.325 2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.673 -12.560 2.421 1.00 0.00 H new ATOM 165 N ARG A 14 -0.014 -11.319 0.894 1.00 0.00 N ATOM 166 CA ARG A 14 1.173 -11.809 1.583 1.00 0.00 C ATOM 167 C ARG A 14 2.368 -10.898 1.322 1.00 0.00 C ATOM 168 O ARG A 14 3.095 -10.530 2.246 1.00 0.00 O ATOM 169 CB ARG A 14 1.498 -13.235 1.133 1.00 0.00 C ATOM 170 CG ARG A 14 0.334 -14.201 1.283 1.00 0.00 C ATOM 171 CD ARG A 14 0.339 -14.870 2.648 1.00 0.00 C ATOM 172 NE ARG A 14 1.334 -15.935 2.733 1.00 0.00 N ATOM 173 CZ ARG A 14 1.781 -16.436 3.880 1.00 0.00 C ATOM 174 NH1 ARG A 14 1.320 -15.970 5.034 1.00 0.00 N ATOM 175 NH2 ARG A 14 2.688 -17.403 3.875 1.00 0.00 N ATOM 0 H ARG A 14 -0.439 -11.992 0.256 1.00 0.00 H new ATOM 0 HA ARG A 14 0.966 -11.811 2.653 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.810 -13.215 0.089 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.344 -13.606 1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.605 -13.666 1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.388 -14.961 0.504 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.541 -14.124 3.416 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.650 -15.281 2.854 1.00 0.00 H new ATOM 0 HE ARG A 14 1.707 -16.316 1.863 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.622 -15.226 5.041 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.664 -16.355 5.914 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.044 -17.764 2.990 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.030 -17.786 4.756 1.00 0.00 H new ATOM 189 N TRP A 15 2.566 -10.537 0.059 1.00 0.00 N ATOM 190 CA TRP A 15 3.674 -9.668 -0.323 1.00 0.00 C ATOM 191 C TRP A 15 3.605 -8.339 0.421 1.00 0.00 C ATOM 192 O TRP A 15 4.586 -7.906 1.026 1.00 0.00 O ATOM 193 CB TRP A 15 3.659 -9.424 -1.833 1.00 0.00 C ATOM 194 CG TRP A 15 4.697 -8.442 -2.285 1.00 0.00 C ATOM 195 CD1 TRP A 15 6.025 -8.689 -2.491 1.00 0.00 C ATOM 196 CD2 TRP A 15 4.493 -7.057 -2.585 1.00 0.00 C ATOM 197 NE1 TRP A 15 6.658 -7.541 -2.901 1.00 0.00 N ATOM 198 CE2 TRP A 15 5.741 -6.526 -2.968 1.00 0.00 C ATOM 199 CE3 TRP A 15 3.379 -6.214 -2.570 1.00 0.00 C ATOM 200 CZ2 TRP A 15 5.902 -5.191 -3.330 1.00 0.00 C ATOM 201 CZ3 TRP A 15 3.540 -4.891 -2.929 1.00 0.00 C ATOM 202 CH2 TRP A 15 4.793 -4.389 -3.306 1.00 0.00 C ATOM 0 H TRP A 15 1.974 -10.832 -0.718 1.00 0.00 H new ATOM 0 HA TRP A 15 4.605 -10.166 -0.052 1.00 0.00 H new ATOM 0 HB2 TRP A 15 3.816 -10.371 -2.349 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.674 -9.061 -2.126 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.506 -9.646 -2.352 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.651 -7.458 -3.120 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.409 -6.591 -2.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 6.867 -4.802 -3.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 2.685 -4.231 -2.919 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.885 -3.349 -3.583 1.00 0.00 H new ATOM 213 N CYS A 16 2.443 -7.698 0.372 1.00 0.00 N ATOM 214 CA CYS A 16 2.248 -6.418 1.041 1.00 0.00 C ATOM 215 C CYS A 16 2.536 -6.535 2.535 1.00 0.00 C ATOM 216 O CYS A 16 3.070 -5.611 3.147 1.00 0.00 O ATOM 217 CB CYS A 16 0.818 -5.918 0.824 1.00 0.00 C ATOM 218 SG CYS A 16 0.456 -5.439 -0.882 1.00 0.00 S ATOM 0 H CYS A 16 1.622 -8.044 -0.124 1.00 0.00 H new ATOM 0 HA CYS A 16 2.946 -5.701 0.609 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.121 -6.700 1.127 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.640 -5.063 1.476 1.00 0.00 H new ATOM 0 HG CYS A 16 1.570 -5.244 -1.524 1.00 0.00 H new ATOM 224 N GLN A 17 2.177 -7.676 3.114 1.00 0.00 N ATOM 225 CA GLN A 17 2.395 -7.912 4.536 1.00 0.00 C ATOM 226 C GLN A 17 3.881 -7.862 4.874 1.00 0.00 C ATOM 227 O GLN A 17 4.270 -7.367 5.931 1.00 0.00 O ATOM 228 CB GLN A 17 1.813 -9.266 4.945 1.00 0.00 C ATOM 229 CG GLN A 17 0.311 -9.237 5.177 1.00 0.00 C ATOM 230 CD GLN A 17 -0.193 -10.476 5.891 1.00 0.00 C ATOM 231 OE1 GLN A 17 0.562 -11.416 6.136 1.00 0.00 O ATOM 232 NE2 GLN A 17 -1.477 -10.483 6.228 1.00 0.00 N ATOM 0 H GLN A 17 1.734 -8.451 2.621 1.00 0.00 H new ATOM 0 HA GLN A 17 1.887 -7.123 5.091 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.039 -9.998 4.170 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.307 -9.604 5.856 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.055 -8.355 5.764 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.199 -9.142 4.218 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.067 -9.681 6.005 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.873 -11.290 6.710 1.00 0.00 H new ATOM 241 N GLU A 18 4.708 -8.378 3.969 1.00 0.00 N ATOM 242 CA GLU A 18 6.151 -8.392 4.173 1.00 0.00 C ATOM 243 C GLU A 18 6.720 -6.977 4.131 1.00 0.00 C ATOM 244 O GLU A 18 7.654 -6.652 4.864 1.00 0.00 O ATOM 245 CB GLU A 18 6.831 -9.258 3.110 1.00 0.00 C ATOM 246 CG GLU A 18 6.658 -10.750 3.339 1.00 0.00 C ATOM 247 CD GLU A 18 7.548 -11.277 4.448 1.00 0.00 C ATOM 248 OE1 GLU A 18 7.767 -10.539 5.433 1.00 0.00 O ATOM 249 OE2 GLU A 18 8.024 -12.425 4.334 1.00 0.00 O ATOM 0 H GLU A 18 4.403 -8.791 3.088 1.00 0.00 H new ATOM 0 HA GLU A 18 6.348 -8.816 5.158 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.428 -9.000 2.131 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.895 -9.023 3.088 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.616 -10.958 3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.880 -11.284 2.415 1.00 0.00 H new ATOM 256 N GLN A 19 6.150 -6.141 3.270 1.00 0.00 N ATOM 257 CA GLN A 19 6.603 -4.762 3.132 1.00 0.00 C ATOM 258 C GLN A 19 6.072 -3.899 4.273 1.00 0.00 C ATOM 259 O GLN A 19 6.844 -3.304 5.026 1.00 0.00 O ATOM 260 CB GLN A 19 6.149 -4.186 1.789 1.00 0.00 C ATOM 261 CG GLN A 19 6.652 -4.973 0.589 1.00 0.00 C ATOM 262 CD GLN A 19 8.138 -5.258 0.660 1.00 0.00 C ATOM 263 OE1 GLN A 19 8.961 -4.342 0.627 1.00 0.00 O ATOM 264 NE2 GLN A 19 8.494 -6.535 0.756 1.00 0.00 N ATOM 0 H GLN A 19 5.374 -6.394 2.658 1.00 0.00 H new ATOM 0 HA GLN A 19 7.692 -4.758 3.172 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.060 -4.158 1.764 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.496 -3.156 1.709 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.108 -5.915 0.523 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.436 -4.416 -0.323 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.780 -7.263 0.780 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.481 -6.787 0.805 1.00 0.00 H new ATOM 273 N THR A 20 4.750 -3.834 4.394 1.00 0.00 N ATOM 274 CA THR A 20 4.116 -3.043 5.441 1.00 0.00 C ATOM 275 C THR A 20 4.586 -3.483 6.823 1.00 0.00 C ATOM 276 O THR A 20 4.481 -2.733 7.793 1.00 0.00 O ATOM 277 CB THR A 20 2.581 -3.149 5.375 1.00 0.00 C ATOM 278 OG1 THR A 20 2.184 -4.525 5.406 1.00 0.00 O ATOM 279 CG2 THR A 20 2.046 -2.490 4.113 1.00 0.00 C ATOM 0 H THR A 20 4.097 -4.320 3.779 1.00 0.00 H new ATOM 0 HA THR A 20 4.408 -2.006 5.274 1.00 0.00 H new ATOM 0 HB THR A 20 2.166 -2.631 6.239 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.239 -4.902 4.503 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.960 -2.578 4.089 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.325 -1.436 4.106 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.469 -2.983 3.238 1.00 0.00 H new ATOM 287 N ALA A 21 5.105 -4.704 6.905 1.00 0.00 N ATOM 288 CA ALA A 21 5.595 -5.242 8.168 1.00 0.00 C ATOM 289 C ALA A 21 6.555 -4.271 8.845 1.00 0.00 C ATOM 290 O ALA A 21 7.193 -3.452 8.184 1.00 0.00 O ATOM 291 CB ALA A 21 6.271 -6.585 7.942 1.00 0.00 C ATOM 0 H ALA A 21 5.197 -5.339 6.112 1.00 0.00 H new ATOM 0 HA ALA A 21 4.740 -5.384 8.829 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.632 -6.975 8.894 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.555 -7.285 7.511 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.111 -6.459 7.259 1.00 0.00 H new ATOM 297 N GLY A 22 6.651 -4.365 10.168 1.00 0.00 N ATOM 298 CA GLY A 22 7.535 -3.487 10.911 1.00 0.00 C ATOM 299 C GLY A 22 6.840 -2.222 11.377 1.00 0.00 C ATOM 300 O GLY A 22 6.801 -1.931 12.572 1.00 0.00 O ATOM 0 H GLY A 22 6.132 -5.033 10.738 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.929 -4.021 11.776 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.387 -3.220 10.285 1.00 0.00 H new ATOM 304 N TYR A 23 6.292 -1.469 10.430 1.00 0.00 N ATOM 305 CA TYR A 23 5.598 -0.226 10.748 1.00 0.00 C ATOM 306 C TYR A 23 4.678 -0.409 11.950 1.00 0.00 C ATOM 307 O TYR A 23 3.856 -1.324 12.002 1.00 0.00 O ATOM 308 CB TYR A 23 4.792 0.255 9.542 1.00 0.00 C ATOM 309 CG TYR A 23 4.463 1.731 9.584 1.00 0.00 C ATOM 310 CD1 TYR A 23 3.768 2.278 10.656 1.00 0.00 C ATOM 311 CD2 TYR A 23 4.847 2.578 8.551 1.00 0.00 C ATOM 312 CE1 TYR A 23 3.465 3.625 10.697 1.00 0.00 C ATOM 313 CE2 TYR A 23 4.548 3.926 8.585 1.00 0.00 C ATOM 314 CZ TYR A 23 3.857 4.445 9.660 1.00 0.00 C ATOM 315 OH TYR A 23 3.558 5.787 9.699 1.00 0.00 O ATOM 0 H TYR A 23 6.315 -1.697 9.436 1.00 0.00 H new ATOM 0 HA TYR A 23 6.347 0.526 10.998 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.353 0.042 8.632 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.864 -0.314 9.485 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.460 1.639 11.471 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.388 2.175 7.708 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.924 4.034 11.537 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.854 4.570 7.774 1.00 0.00 H new ATOM 0 HH TYR A 23 3.524 6.088 10.631 1.00 0.00 H new ATOM 325 N PRO A 24 4.816 0.484 12.942 1.00 0.00 N ATOM 326 CA PRO A 24 4.005 0.444 14.162 1.00 0.00 C ATOM 327 C PRO A 24 2.548 0.813 13.902 1.00 0.00 C ATOM 328 O PRO A 24 2.247 1.924 13.469 1.00 0.00 O ATOM 329 CB PRO A 24 4.668 1.489 15.063 1.00 0.00 C ATOM 330 CG PRO A 24 5.337 2.431 14.123 1.00 0.00 C ATOM 331 CD PRO A 24 5.776 1.601 12.948 1.00 0.00 C ATOM 0 HA PRO A 24 3.972 -0.555 14.597 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.932 2.003 15.681 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.387 1.028 15.740 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.654 3.221 13.810 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.189 2.917 14.598 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.738 2.169 12.018 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.801 1.249 13.065 1.00 0.00 H new ATOM 339 N GLY A 25 1.648 -0.128 14.169 1.00 0.00 N ATOM 340 CA GLY A 25 0.233 0.119 13.958 1.00 0.00 C ATOM 341 C GLY A 25 -0.298 -0.577 12.719 1.00 0.00 C ATOM 342 O GLY A 25 -1.393 -1.139 12.736 1.00 0.00 O ATOM 0 H GLY A 25 1.873 -1.056 14.527 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.326 -0.221 14.830 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.064 1.192 13.869 1.00 0.00 H new ATOM 346 N VAL A 26 0.479 -0.537 11.642 1.00 0.00 N ATOM 347 CA VAL A 26 0.081 -1.167 10.389 1.00 0.00 C ATOM 348 C VAL A 26 0.046 -2.686 10.524 1.00 0.00 C ATOM 349 O VAL A 26 1.087 -3.334 10.630 1.00 0.00 O ATOM 350 CB VAL A 26 1.035 -0.787 9.241 1.00 0.00 C ATOM 351 CG1 VAL A 26 0.641 -1.507 7.959 1.00 0.00 C ATOM 352 CG2 VAL A 26 1.045 0.720 9.035 1.00 0.00 C ATOM 0 H VAL A 26 1.388 -0.075 11.612 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.919 -0.802 10.156 1.00 0.00 H new ATOM 0 HB VAL A 26 2.044 -1.101 9.510 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.326 -1.226 7.159 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.690 -2.584 8.117 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.375 -1.226 7.682 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.724 0.971 8.220 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.039 1.060 8.787 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.379 1.210 9.950 1.00 0.00 H new ATOM 362 N HIS A 27 -1.160 -3.247 10.520 1.00 0.00 N ATOM 363 CA HIS A 27 -1.330 -4.691 10.642 1.00 0.00 C ATOM 364 C HIS A 27 -2.209 -5.230 9.517 1.00 0.00 C ATOM 365 O HIS A 27 -3.332 -5.677 9.752 1.00 0.00 O ATOM 366 CB HIS A 27 -1.945 -5.040 11.997 1.00 0.00 C ATOM 367 CG HIS A 27 -2.889 -3.998 12.513 1.00 0.00 C ATOM 368 ND1 HIS A 27 -2.589 -3.167 13.571 1.00 0.00 N ATOM 369 CD2 HIS A 27 -4.135 -3.655 12.110 1.00 0.00 C ATOM 370 CE1 HIS A 27 -3.608 -2.358 13.798 1.00 0.00 C ATOM 371 NE2 HIS A 27 -4.560 -2.634 12.923 1.00 0.00 N ATOM 0 H HIS A 27 -2.032 -2.725 10.434 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.347 -5.156 10.567 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -2.475 -5.989 11.913 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.145 -5.185 12.723 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.691 -4.102 11.299 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.655 -1.601 14.567 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.463 -2.164 12.862 1.00 0.00 H new ATOM 380 N VAL A 28 -1.690 -5.184 8.293 1.00 0.00 N ATOM 381 CA VAL A 28 -2.427 -5.668 7.133 1.00 0.00 C ATOM 382 C VAL A 28 -2.910 -7.099 7.346 1.00 0.00 C ATOM 383 O VAL A 28 -2.151 -8.052 7.181 1.00 0.00 O ATOM 384 CB VAL A 28 -1.566 -5.614 5.858 1.00 0.00 C ATOM 385 CG1 VAL A 28 -2.318 -6.210 4.678 1.00 0.00 C ATOM 386 CG2 VAL A 28 -1.141 -4.183 5.562 1.00 0.00 C ATOM 0 H VAL A 28 -0.763 -4.817 8.080 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.288 -5.011 7.009 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.668 -6.209 6.023 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.693 -6.162 3.787 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.566 -7.250 4.892 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.235 -5.646 4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.533 -4.164 4.657 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.026 -3.563 5.418 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.559 -3.796 6.398 1.00 0.00 H new ATOM 396 N SER A 29 -4.181 -7.240 7.713 1.00 0.00 N ATOM 397 CA SER A 29 -4.765 -8.554 7.952 1.00 0.00 C ATOM 398 C SER A 29 -5.599 -9.004 6.756 1.00 0.00 C ATOM 399 O SER A 29 -5.684 -10.195 6.457 1.00 0.00 O ATOM 400 CB SER A 29 -5.633 -8.529 9.212 1.00 0.00 C ATOM 401 OG SER A 29 -5.991 -9.840 9.611 1.00 0.00 O ATOM 0 H SER A 29 -4.824 -6.461 7.851 1.00 0.00 H new ATOM 0 HA SER A 29 -3.951 -9.265 8.094 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.093 -8.035 10.019 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.533 -7.944 9.025 1.00 0.00 H new ATOM 0 HG SER A 29 -6.812 -10.110 9.149 1.00 0.00 H new ATOM 407 N ASP A 30 -6.213 -8.041 6.075 1.00 0.00 N ATOM 408 CA ASP A 30 -7.039 -8.336 4.911 1.00 0.00 C ATOM 409 C ASP A 30 -7.275 -7.079 4.079 1.00 0.00 C ATOM 410 O ASP A 30 -7.385 -5.976 4.618 1.00 0.00 O ATOM 411 CB ASP A 30 -8.379 -8.932 5.347 1.00 0.00 C ATOM 412 CG ASP A 30 -8.231 -9.910 6.496 1.00 0.00 C ATOM 413 OD1 ASP A 30 -8.037 -11.114 6.228 1.00 0.00 O ATOM 414 OD2 ASP A 30 -8.308 -9.472 7.663 1.00 0.00 O ATOM 0 H ASP A 30 -6.154 -7.050 6.310 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.509 -9.063 4.296 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.052 -8.127 5.643 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.841 -9.439 4.500 1.00 0.00 H new ATOM 419 N LEU A 31 -7.350 -7.251 2.765 1.00 0.00 N ATOM 420 CA LEU A 31 -7.572 -6.131 1.858 1.00 0.00 C ATOM 421 C LEU A 31 -9.033 -5.697 1.874 1.00 0.00 C ATOM 422 O LEU A 31 -9.681 -5.620 0.830 1.00 0.00 O ATOM 423 CB LEU A 31 -7.157 -6.511 0.435 1.00 0.00 C ATOM 424 CG LEU A 31 -5.654 -6.502 0.149 1.00 0.00 C ATOM 425 CD1 LEU A 31 -4.919 -7.405 1.127 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.383 -6.931 -1.286 1.00 0.00 C ATOM 0 H LEU A 31 -7.260 -8.156 2.303 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.961 -5.295 2.198 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.542 -7.508 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.643 -5.825 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.284 -5.485 0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.851 -7.386 0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.087 -7.052 2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.291 -8.425 1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.309 -6.919 -1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.767 -7.939 -1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.878 -6.243 -1.971 1.00 0.00 H new ATOM 438 N SER A 32 -9.547 -5.412 3.067 1.00 0.00 N ATOM 439 CA SER A 32 -10.933 -4.988 3.220 1.00 0.00 C ATOM 440 C SER A 32 -11.019 -3.687 4.014 1.00 0.00 C ATOM 441 O SER A 32 -11.422 -2.651 3.488 1.00 0.00 O ATOM 442 CB SER A 32 -11.750 -6.078 3.916 1.00 0.00 C ATOM 443 OG SER A 32 -13.116 -6.008 3.545 1.00 0.00 O ATOM 0 H SER A 32 -9.024 -5.467 3.941 1.00 0.00 H new ATOM 0 HA SER A 32 -11.345 -4.815 2.226 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.350 -7.058 3.657 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.658 -5.972 4.997 1.00 0.00 H new ATOM 0 HG SER A 32 -13.616 -6.716 4.002 1.00 0.00 H new ATOM 449 N SER A 33 -10.637 -3.752 5.285 1.00 0.00 N ATOM 450 CA SER A 33 -10.673 -2.581 6.154 1.00 0.00 C ATOM 451 C SER A 33 -9.293 -2.297 6.741 1.00 0.00 C ATOM 452 O SER A 33 -9.046 -1.219 7.281 1.00 0.00 O ATOM 453 CB SER A 33 -11.686 -2.789 7.282 1.00 0.00 C ATOM 454 OG SER A 33 -13.009 -2.828 6.779 1.00 0.00 O ATOM 0 H SER A 33 -10.299 -4.602 5.736 1.00 0.00 H new ATOM 0 HA SER A 33 -10.977 -1.723 5.554 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.465 -3.719 7.806 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.594 -1.983 8.010 1.00 0.00 H new ATOM 0 HG SER A 33 -13.637 -2.964 7.519 1.00 0.00 H new ATOM 460 N SER A 34 -8.397 -3.273 6.630 1.00 0.00 N ATOM 461 CA SER A 34 -7.044 -3.131 7.152 1.00 0.00 C ATOM 462 C SER A 34 -6.326 -1.958 6.489 1.00 0.00 C ATOM 463 O SER A 34 -5.368 -1.414 7.037 1.00 0.00 O ATOM 464 CB SER A 34 -6.250 -4.420 6.929 1.00 0.00 C ATOM 465 OG SER A 34 -5.277 -4.601 7.943 1.00 0.00 O ATOM 0 H SER A 34 -8.585 -4.170 6.183 1.00 0.00 H new ATOM 0 HA SER A 34 -7.113 -2.935 8.222 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.930 -5.272 6.917 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.763 -4.387 5.955 1.00 0.00 H new ATOM 0 HG SER A 34 -5.705 -4.964 8.746 1.00 0.00 H new ATOM 471 N TRP A 35 -6.798 -1.575 5.308 1.00 0.00 N ATOM 472 CA TRP A 35 -6.202 -0.468 4.570 1.00 0.00 C ATOM 473 C TRP A 35 -7.091 0.770 4.634 1.00 0.00 C ATOM 474 O TRP A 35 -6.640 1.883 4.369 1.00 0.00 O ATOM 475 CB TRP A 35 -5.968 -0.867 3.112 1.00 0.00 C ATOM 476 CG TRP A 35 -5.085 -2.068 2.960 1.00 0.00 C ATOM 477 CD1 TRP A 35 -5.398 -3.361 3.268 1.00 0.00 C ATOM 478 CD2 TRP A 35 -3.741 -2.087 2.465 1.00 0.00 C ATOM 479 NE1 TRP A 35 -4.331 -4.182 2.994 1.00 0.00 N ATOM 480 CE2 TRP A 35 -3.302 -3.424 2.499 1.00 0.00 C ATOM 481 CE3 TRP A 35 -2.867 -1.103 1.994 1.00 0.00 C ATOM 482 CZ2 TRP A 35 -2.029 -3.801 2.081 1.00 0.00 C ATOM 483 CZ3 TRP A 35 -1.603 -1.478 1.580 1.00 0.00 C ATOM 484 CH2 TRP A 35 -1.194 -2.818 1.625 1.00 0.00 C ATOM 0 H TRP A 35 -7.591 -2.015 4.841 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.244 -0.230 5.033 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -6.929 -1.069 2.639 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.522 -0.027 2.580 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.346 -3.690 3.668 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.308 -5.192 3.136 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.174 -0.068 1.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.712 -4.833 2.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.919 -0.726 1.216 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.200 -3.080 1.293 1.00 0.00 H new ATOM 495 N ALA A 36 -8.356 0.567 4.989 1.00 0.00 N ATOM 496 CA ALA A 36 -9.307 1.666 5.091 1.00 0.00 C ATOM 497 C ALA A 36 -8.741 2.805 5.933 1.00 0.00 C ATOM 498 O ALA A 36 -9.007 3.977 5.667 1.00 0.00 O ATOM 499 CB ALA A 36 -10.621 1.175 5.679 1.00 0.00 C ATOM 0 H ALA A 36 -8.745 -0.349 5.211 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.492 2.048 4.087 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.322 2.007 5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.040 0.401 5.037 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.444 0.765 6.673 1.00 0.00 H new ATOM 505 N ASP A 37 -7.961 2.453 6.949 1.00 0.00 N ATOM 506 CA ASP A 37 -7.359 3.446 7.830 1.00 0.00 C ATOM 507 C ASP A 37 -6.522 4.442 7.034 1.00 0.00 C ATOM 508 O ASP A 37 -6.770 5.646 7.072 1.00 0.00 O ATOM 509 CB ASP A 37 -6.489 2.760 8.886 1.00 0.00 C ATOM 510 CG ASP A 37 -5.579 3.735 9.608 1.00 0.00 C ATOM 511 OD1 ASP A 37 -5.771 4.957 9.445 1.00 0.00 O ATOM 512 OD2 ASP A 37 -4.674 3.274 10.335 1.00 0.00 O ATOM 0 H ASP A 37 -7.731 1.487 7.183 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.162 3.989 8.328 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.130 2.260 9.612 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.885 1.988 8.409 1.00 0.00 H new ATOM 517 N GLY A 38 -5.529 3.930 6.313 1.00 0.00 N ATOM 518 CA GLY A 38 -4.669 4.789 5.519 1.00 0.00 C ATOM 519 C GLY A 38 -3.198 4.491 5.729 1.00 0.00 C ATOM 520 O GLY A 38 -2.412 4.508 4.781 1.00 0.00 O ATOM 0 H GLY A 38 -5.305 2.936 6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.914 4.668 4.464 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.866 5.830 5.774 1.00 0.00 H new ATOM 524 N LEU A 39 -2.823 4.220 6.974 1.00 0.00 N ATOM 525 CA LEU A 39 -1.434 3.919 7.307 1.00 0.00 C ATOM 526 C LEU A 39 -0.890 2.806 6.417 1.00 0.00 C ATOM 527 O LEU A 39 0.211 2.911 5.879 1.00 0.00 O ATOM 528 CB LEU A 39 -1.319 3.514 8.777 1.00 0.00 C ATOM 529 CG LEU A 39 -1.081 4.651 9.771 1.00 0.00 C ATOM 530 CD1 LEU A 39 -1.252 4.159 11.199 1.00 0.00 C ATOM 531 CD2 LEU A 39 0.303 5.251 9.573 1.00 0.00 C ATOM 0 H LEU A 39 -3.461 4.202 7.770 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.841 4.818 7.136 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.234 2.995 9.062 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.503 2.798 8.873 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.822 5.429 9.587 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.078 4.983 11.891 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.265 3.779 11.334 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.536 3.362 11.397 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.455 6.059 10.289 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.059 4.481 9.728 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.388 5.643 8.560 1.00 0.00 H new ATOM 543 N ALA A 40 -1.672 1.742 6.264 1.00 0.00 N ATOM 544 CA ALA A 40 -1.270 0.612 5.435 1.00 0.00 C ATOM 545 C ALA A 40 -0.499 1.079 4.206 1.00 0.00 C ATOM 546 O ALA A 40 0.678 0.757 4.039 1.00 0.00 O ATOM 547 CB ALA A 40 -2.489 -0.198 5.020 1.00 0.00 C ATOM 0 H ALA A 40 -2.587 1.639 6.703 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.609 -0.023 6.025 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.174 -1.038 4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.997 -0.572 5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.170 0.435 4.452 1.00 0.00 H new ATOM 553 N LEU A 41 -1.168 1.840 3.347 1.00 0.00 N ATOM 554 CA LEU A 41 -0.546 2.352 2.132 1.00 0.00 C ATOM 555 C LEU A 41 0.705 3.162 2.459 1.00 0.00 C ATOM 556 O LEU A 41 1.688 3.131 1.718 1.00 0.00 O ATOM 557 CB LEU A 41 -1.538 3.217 1.352 1.00 0.00 C ATOM 558 CG LEU A 41 -2.406 2.486 0.327 1.00 0.00 C ATOM 559 CD1 LEU A 41 -3.582 3.353 -0.092 1.00 0.00 C ATOM 560 CD2 LEU A 41 -1.577 2.087 -0.885 1.00 0.00 C ATOM 0 H LEU A 41 -2.142 2.116 3.470 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.254 1.500 1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.195 3.714 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.980 3.998 0.835 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.796 1.580 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.188 2.816 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.190 3.589 0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.213 4.277 -0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.211 1.568 -1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.158 2.980 -1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.768 1.427 -0.571 1.00 0.00 H new ATOM 572 N CYS A 42 0.660 3.882 3.574 1.00 0.00 N ATOM 573 CA CYS A 42 1.791 4.700 4.001 1.00 0.00 C ATOM 574 C CYS A 42 3.012 3.831 4.285 1.00 0.00 C ATOM 575 O CYS A 42 4.124 4.152 3.865 1.00 0.00 O ATOM 576 CB CYS A 42 1.422 5.505 5.247 1.00 0.00 C ATOM 577 SG CYS A 42 -0.178 6.340 5.141 1.00 0.00 S ATOM 0 H CYS A 42 -0.146 3.917 4.198 1.00 0.00 H new ATOM 0 HA CYS A 42 2.037 5.388 3.193 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.415 4.837 6.109 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.197 6.250 5.428 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.111 5.463 4.916 1.00 0.00 H new ATOM 583 N ALA A 43 2.798 2.733 5.001 1.00 0.00 N ATOM 584 CA ALA A 43 3.882 1.819 5.341 1.00 0.00 C ATOM 585 C ALA A 43 4.496 1.206 4.087 1.00 0.00 C ATOM 586 O ALA A 43 5.717 1.175 3.932 1.00 0.00 O ATOM 587 CB ALA A 43 3.379 0.727 6.273 1.00 0.00 C ATOM 0 H ALA A 43 1.884 2.454 5.357 1.00 0.00 H new ATOM 0 HA ALA A 43 4.658 2.389 5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.199 0.052 6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.994 1.178 7.188 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.583 0.167 5.782 1.00 0.00 H new ATOM 593 N LEU A 44 3.642 0.717 3.195 1.00 0.00 N ATOM 594 CA LEU A 44 4.100 0.102 1.954 1.00 0.00 C ATOM 595 C LEU A 44 4.959 1.074 1.150 1.00 0.00 C ATOM 596 O LEU A 44 5.985 0.692 0.588 1.00 0.00 O ATOM 597 CB LEU A 44 2.905 -0.353 1.115 1.00 0.00 C ATOM 598 CG LEU A 44 3.202 -0.700 -0.344 1.00 0.00 C ATOM 599 CD1 LEU A 44 3.959 -2.016 -0.436 1.00 0.00 C ATOM 600 CD2 LEU A 44 1.913 -0.767 -1.150 1.00 0.00 C ATOM 0 H LEU A 44 2.628 0.734 3.308 1.00 0.00 H new ATOM 0 HA LEU A 44 4.707 -0.766 2.210 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.463 -1.227 1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.152 0.435 1.134 1.00 0.00 H new ATOM 0 HG LEU A 44 3.829 0.087 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.162 -2.247 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.901 -1.933 0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.358 -2.813 0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.144 -1.015 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.261 -1.533 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.409 0.199 -1.112 1.00 0.00 H new ATOM 612 N VAL A 45 4.534 2.332 1.103 1.00 0.00 N ATOM 613 CA VAL A 45 5.265 3.360 0.372 1.00 0.00 C ATOM 614 C VAL A 45 6.571 3.711 1.076 1.00 0.00 C ATOM 615 O VAL A 45 7.654 3.573 0.505 1.00 0.00 O ATOM 616 CB VAL A 45 4.423 4.638 0.207 1.00 0.00 C ATOM 617 CG1 VAL A 45 5.230 5.723 -0.491 1.00 0.00 C ATOM 618 CG2 VAL A 45 3.143 4.339 -0.558 1.00 0.00 C ATOM 0 H VAL A 45 3.686 2.664 1.563 1.00 0.00 H new ATOM 0 HA VAL A 45 5.486 2.951 -0.614 1.00 0.00 H new ATOM 0 HB VAL A 45 4.150 5.002 1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.618 6.619 -0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.115 5.957 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.536 5.372 -1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.561 5.254 -0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.392 3.950 -1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.558 3.598 -0.013 1.00 0.00 H new ATOM 628 N TYR A 46 6.463 4.165 2.320 1.00 0.00 N ATOM 629 CA TYR A 46 7.635 4.538 3.102 1.00 0.00 C ATOM 630 C TYR A 46 8.706 3.454 3.030 1.00 0.00 C ATOM 631 O TYR A 46 9.865 3.730 2.726 1.00 0.00 O ATOM 632 CB TYR A 46 7.243 4.788 4.559 1.00 0.00 C ATOM 633 CG TYR A 46 6.562 6.119 4.783 1.00 0.00 C ATOM 634 CD1 TYR A 46 7.186 7.309 4.428 1.00 0.00 C ATOM 635 CD2 TYR A 46 5.296 6.188 5.352 1.00 0.00 C ATOM 636 CE1 TYR A 46 6.568 8.528 4.632 1.00 0.00 C ATOM 637 CE2 TYR A 46 4.669 7.402 5.558 1.00 0.00 C ATOM 638 CZ TYR A 46 5.310 8.569 5.197 1.00 0.00 C ATOM 639 OH TYR A 46 4.690 9.781 5.401 1.00 0.00 O ATOM 0 H TYR A 46 5.575 4.283 2.808 1.00 0.00 H new ATOM 0 HA TYR A 46 8.045 5.456 2.680 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.579 3.989 4.890 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.137 4.738 5.181 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.171 7.281 3.985 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.793 5.276 5.638 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.067 9.444 4.351 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.684 7.437 5.999 1.00 0.00 H new ATOM 0 HH TYR A 46 4.365 10.130 4.545 1.00 0.00 H new ATOM 649 N ARG A 47 8.306 2.218 3.313 1.00 0.00 N ATOM 650 CA ARG A 47 9.231 1.091 3.282 1.00 0.00 C ATOM 651 C ARG A 47 9.892 0.967 1.912 1.00 0.00 C ATOM 652 O ARG A 47 11.105 1.124 1.780 1.00 0.00 O ATOM 653 CB ARG A 47 8.497 -0.207 3.625 1.00 0.00 C ATOM 654 CG ARG A 47 8.497 -0.532 5.110 1.00 0.00 C ATOM 655 CD ARG A 47 9.883 -0.933 5.592 1.00 0.00 C ATOM 656 NE ARG A 47 10.658 0.219 6.047 1.00 0.00 N ATOM 657 CZ ARG A 47 11.985 0.243 6.088 1.00 0.00 C ATOM 658 NH1 ARG A 47 12.682 -0.816 5.701 1.00 0.00 N ATOM 659 NH2 ARG A 47 12.618 1.329 6.515 1.00 0.00 N ATOM 0 H ARG A 47 7.349 1.972 3.566 1.00 0.00 H new ATOM 0 HA ARG A 47 10.007 1.270 4.026 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.466 -0.135 3.277 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.960 -1.031 3.081 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.151 0.335 5.673 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.794 -1.341 5.307 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.790 -1.652 6.406 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.417 -1.433 4.784 1.00 0.00 H new ATOM 0 HE ARG A 47 10.152 1.051 6.350 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.199 -1.652 5.371 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.701 -0.795 5.733 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.085 2.146 6.812 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.637 1.346 6.546 1.00 0.00 H new ATOM 673 N LEU A 48 9.084 0.685 0.895 1.00 0.00 N ATOM 674 CA LEU A 48 9.590 0.540 -0.465 1.00 0.00 C ATOM 675 C LEU A 48 10.730 1.518 -0.730 1.00 0.00 C ATOM 676 O LEU A 48 11.734 1.162 -1.346 1.00 0.00 O ATOM 677 CB LEU A 48 8.464 0.767 -1.476 1.00 0.00 C ATOM 678 CG LEU A 48 7.472 -0.385 -1.645 1.00 0.00 C ATOM 679 CD1 LEU A 48 6.229 0.086 -2.386 1.00 0.00 C ATOM 680 CD2 LEU A 48 8.124 -1.547 -2.378 1.00 0.00 C ATOM 0 H LEU A 48 8.077 0.552 0.987 1.00 0.00 H new ATOM 0 HA LEU A 48 9.973 -0.474 -0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.909 1.657 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.912 0.980 -2.447 1.00 0.00 H new ATOM 0 HG LEU A 48 7.172 -0.729 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.534 -0.747 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.750 0.886 -1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.511 0.457 -3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.404 -2.357 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.454 -1.217 -3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.983 -1.901 -1.808 1.00 0.00 H new ATOM 692 N GLN A 49 10.568 2.750 -0.258 1.00 0.00 N ATOM 693 CA GLN A 49 11.585 3.778 -0.442 1.00 0.00 C ATOM 694 C GLN A 49 11.924 4.452 0.883 1.00 0.00 C ATOM 695 O GLN A 49 11.203 5.326 1.365 1.00 0.00 O ATOM 696 CB GLN A 49 11.108 4.823 -1.452 1.00 0.00 C ATOM 697 CG GLN A 49 12.238 5.483 -2.224 1.00 0.00 C ATOM 698 CD GLN A 49 11.737 6.367 -3.350 1.00 0.00 C ATOM 699 OE1 GLN A 49 11.026 5.909 -4.244 1.00 0.00 O ATOM 700 NE2 GLN A 49 12.106 7.642 -3.311 1.00 0.00 N ATOM 0 H GLN A 49 9.742 3.060 0.254 1.00 0.00 H new ATOM 0 HA GLN A 49 12.485 3.298 -0.825 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.425 4.349 -2.157 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.541 5.591 -0.927 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.841 6.080 -1.539 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.891 4.713 -2.635 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.697 7.979 -2.551 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.799 8.284 -4.041 1.00 0.00 H new ATOM 709 N PRO A 50 13.047 4.038 1.489 1.00 0.00 N ATOM 710 CA PRO A 50 13.507 4.589 2.767 1.00 0.00 C ATOM 711 C PRO A 50 13.993 6.029 2.636 1.00 0.00 C ATOM 712 O PRO A 50 14.016 6.777 3.612 1.00 0.00 O ATOM 713 CB PRO A 50 14.667 3.667 3.154 1.00 0.00 C ATOM 714 CG PRO A 50 15.161 3.118 1.861 1.00 0.00 C ATOM 715 CD PRO A 50 13.954 2.999 0.972 1.00 0.00 C ATOM 0 HA PRO A 50 12.707 4.625 3.507 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.451 4.215 3.677 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.335 2.871 3.821 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.908 3.776 1.418 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.636 2.148 2.005 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.207 3.170 -0.074 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.506 2.007 1.033 1.00 0.00 H new ATOM 723 N GLY A 51 14.379 6.410 1.422 1.00 0.00 N ATOM 724 CA GLY A 51 14.859 7.760 1.186 1.00 0.00 C ATOM 725 C GLY A 51 13.807 8.810 1.491 1.00 0.00 C ATOM 726 O GLY A 51 14.091 9.810 2.151 1.00 0.00 O ATOM 0 H GLY A 51 14.368 5.809 0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.740 7.942 1.802 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.172 7.855 0.146 1.00 0.00 H new ATOM 730 N LEU A 52 12.591 8.584 1.007 1.00 0.00 N ATOM 731 CA LEU A 52 11.494 9.519 1.229 1.00 0.00 C ATOM 732 C LEU A 52 11.324 9.816 2.715 1.00 0.00 C ATOM 733 O LEU A 52 11.707 9.013 3.567 1.00 0.00 O ATOM 734 CB LEU A 52 10.192 8.954 0.657 1.00 0.00 C ATOM 735 CG LEU A 52 9.943 9.216 -0.828 1.00 0.00 C ATOM 736 CD1 LEU A 52 9.136 8.081 -1.441 1.00 0.00 C ATOM 737 CD2 LEU A 52 9.230 10.545 -1.023 1.00 0.00 C ATOM 0 H LEU A 52 12.340 7.762 0.458 1.00 0.00 H new ATOM 0 HA LEU A 52 11.734 10.451 0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.183 7.877 0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.359 9.370 1.224 1.00 0.00 H new ATOM 0 HG LEU A 52 10.906 9.266 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.968 8.284 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.685 7.145 -1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.177 8.000 -0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.061 10.715 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.273 10.524 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.845 11.350 -0.620 1.00 0.00 H new ATOM 749 N LEU A 53 10.744 10.971 3.020 1.00 0.00 N ATOM 750 CA LEU A 53 10.519 11.373 4.404 1.00 0.00 C ATOM 751 C LEU A 53 9.832 10.262 5.190 1.00 0.00 C ATOM 752 O LEU A 53 9.542 9.195 4.649 1.00 0.00 O ATOM 753 CB LEU A 53 9.675 12.647 4.456 1.00 0.00 C ATOM 754 CG LEU A 53 8.213 12.500 4.036 1.00 0.00 C ATOM 755 CD1 LEU A 53 8.086 11.534 2.868 1.00 0.00 C ATOM 756 CD2 LEU A 53 7.365 12.032 5.211 1.00 0.00 C ATOM 0 H LEU A 53 10.421 11.646 2.327 1.00 0.00 H new ATOM 0 HA LEU A 53 11.489 11.569 4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.703 13.036 5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.143 13.395 3.816 1.00 0.00 H new ATOM 0 HG LEU A 53 7.848 13.476 3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.038 11.443 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.660 11.910 2.021 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.469 10.556 3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.327 11.933 4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.731 11.067 5.562 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.429 12.761 6.019 1.00 0.00 H new ATOM 768 N GLU A 54 9.573 10.520 6.469 1.00 0.00 N ATOM 769 CA GLU A 54 8.918 9.540 7.328 1.00 0.00 C ATOM 770 C GLU A 54 7.539 10.030 7.757 1.00 0.00 C ATOM 771 O GLU A 54 7.226 11.219 7.691 1.00 0.00 O ATOM 772 CB GLU A 54 9.778 9.254 8.560 1.00 0.00 C ATOM 773 CG GLU A 54 10.767 8.118 8.363 1.00 0.00 C ATOM 774 CD GLU A 54 10.145 6.755 8.597 1.00 0.00 C ATOM 775 OE1 GLU A 54 9.901 6.408 9.772 1.00 0.00 O ATOM 776 OE2 GLU A 54 9.901 6.036 7.605 1.00 0.00 O ATOM 0 H GLU A 54 9.807 11.398 6.932 1.00 0.00 H new ATOM 0 HA GLU A 54 8.796 8.618 6.759 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.325 10.158 8.828 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.126 9.015 9.400 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.167 8.161 7.350 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.608 8.251 9.044 1.00 0.00 H new ATOM 783 N PRO A 55 6.694 9.093 8.211 1.00 0.00 N ATOM 784 CA PRO A 55 5.333 9.405 8.662 1.00 0.00 C ATOM 785 C PRO A 55 5.322 10.187 9.970 1.00 0.00 C ATOM 786 O PRO A 55 4.261 10.458 10.533 1.00 0.00 O ATOM 787 CB PRO A 55 4.700 8.026 8.858 1.00 0.00 C ATOM 788 CG PRO A 55 5.849 7.114 9.121 1.00 0.00 C ATOM 789 CD PRO A 55 6.999 7.657 8.318 1.00 0.00 C ATOM 0 HA PRO A 55 4.801 10.036 7.949 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.998 8.028 9.692 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.144 7.717 7.973 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.092 7.088 10.183 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.613 6.092 8.823 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.953 7.485 8.816 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.062 7.186 7.337 1.00 0.00 H new ATOM 797 N SER A 56 6.508 10.550 10.449 1.00 0.00 N ATOM 798 CA SER A 56 6.634 11.299 11.693 1.00 0.00 C ATOM 799 C SER A 56 5.457 12.253 11.874 1.00 0.00 C ATOM 800 O SER A 56 5.012 12.499 12.994 1.00 0.00 O ATOM 801 CB SER A 56 7.948 12.083 11.711 1.00 0.00 C ATOM 802 OG SER A 56 9.063 11.211 11.645 1.00 0.00 O ATOM 0 H SER A 56 7.396 10.337 9.994 1.00 0.00 H new ATOM 0 HA SER A 56 6.633 10.587 12.518 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.974 12.775 10.870 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.005 12.683 12.619 1.00 0.00 H new ATOM 0 HG SER A 56 9.890 11.736 11.656 1.00 0.00 H new ATOM 808 N GLU A 57 4.959 12.787 10.763 1.00 0.00 N ATOM 809 CA GLU A 57 3.835 13.714 10.799 1.00 0.00 C ATOM 810 C GLU A 57 2.508 12.965 10.716 1.00 0.00 C ATOM 811 O GLU A 57 1.587 13.220 11.492 1.00 0.00 O ATOM 812 CB GLU A 57 3.938 14.720 9.652 1.00 0.00 C ATOM 813 CG GLU A 57 5.215 15.543 9.676 1.00 0.00 C ATOM 814 CD GLU A 57 6.419 14.765 9.181 1.00 0.00 C ATOM 815 OE1 GLU A 57 6.263 13.976 8.226 1.00 0.00 O ATOM 816 OE2 GLU A 57 7.517 14.947 9.747 1.00 0.00 O ATOM 0 H GLU A 57 5.316 12.593 9.828 1.00 0.00 H new ATOM 0 HA GLU A 57 3.870 14.250 11.747 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.879 14.185 8.704 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.081 15.393 9.692 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.082 16.431 9.059 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.402 15.887 10.693 1.00 0.00 H new ATOM 823 N LEU A 58 2.418 12.039 9.767 1.00 0.00 N ATOM 824 CA LEU A 58 1.204 11.252 9.579 1.00 0.00 C ATOM 825 C LEU A 58 0.673 10.742 10.917 1.00 0.00 C ATOM 826 O LEU A 58 -0.537 10.660 11.123 1.00 0.00 O ATOM 827 CB LEU A 58 1.476 10.073 8.643 1.00 0.00 C ATOM 828 CG LEU A 58 1.260 10.335 7.153 1.00 0.00 C ATOM 829 CD1 LEU A 58 2.225 11.398 6.652 1.00 0.00 C ATOM 830 CD2 LEU A 58 1.419 9.049 6.356 1.00 0.00 C ATOM 0 H LEU A 58 3.171 11.815 9.116 1.00 0.00 H new ATOM 0 HA LEU A 58 0.448 11.897 9.130 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.507 9.750 8.789 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.836 9.243 8.942 1.00 0.00 H new ATOM 0 HG LEU A 58 0.243 10.702 7.013 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.056 11.571 5.589 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.062 12.325 7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.250 11.061 6.806 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.262 9.255 5.297 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.423 8.652 6.503 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.686 8.317 6.696 1.00 0.00 H new ATOM 842 N GLN A 59 1.588 10.404 11.820 1.00 0.00 N ATOM 843 CA GLN A 59 1.212 9.905 13.137 1.00 0.00 C ATOM 844 C GLN A 59 0.011 10.669 13.686 1.00 0.00 C ATOM 845 O GLN A 59 -0.949 10.071 14.172 1.00 0.00 O ATOM 846 CB GLN A 59 2.390 10.019 14.105 1.00 0.00 C ATOM 847 CG GLN A 59 2.721 11.452 14.494 1.00 0.00 C ATOM 848 CD GLN A 59 3.902 11.540 15.440 1.00 0.00 C ATOM 849 OE1 GLN A 59 3.850 12.240 16.452 1.00 0.00 O ATOM 850 NE2 GLN A 59 4.977 10.831 15.116 1.00 0.00 N ATOM 0 H GLN A 59 2.594 10.467 11.664 1.00 0.00 H new ATOM 0 HA GLN A 59 0.936 8.855 13.035 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.165 9.449 15.007 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.269 9.562 13.650 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.937 12.028 13.594 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.849 11.908 14.963 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.978 10.264 14.268 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.802 10.853 15.715 1.00 0.00 H new ATOM 859 N GLY A 60 0.072 11.994 13.606 1.00 0.00 N ATOM 860 CA GLY A 60 -1.016 12.818 14.099 1.00 0.00 C ATOM 861 C GLY A 60 -2.156 12.928 13.106 1.00 0.00 C ATOM 862 O GLY A 60 -3.327 12.924 13.490 1.00 0.00 O ATOM 0 H GLY A 60 0.856 12.512 13.208 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.391 12.399 15.033 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.639 13.815 14.326 1.00 0.00 H new ATOM 866 N LEU A 61 -1.816 13.031 11.826 1.00 0.00 N ATOM 867 CA LEU A 61 -2.820 13.145 10.774 1.00 0.00 C ATOM 868 C LEU A 61 -3.954 12.148 10.994 1.00 0.00 C ATOM 869 O LEU A 61 -3.792 11.153 11.698 1.00 0.00 O ATOM 870 CB LEU A 61 -2.180 12.914 9.404 1.00 0.00 C ATOM 871 CG LEU A 61 -1.359 14.075 8.842 1.00 0.00 C ATOM 872 CD1 LEU A 61 -0.539 13.618 7.645 1.00 0.00 C ATOM 873 CD2 LEU A 61 -2.268 15.233 8.457 1.00 0.00 C ATOM 0 H LEU A 61 -0.852 13.038 11.491 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.235 14.152 10.809 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.535 12.038 9.470 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.970 12.676 8.692 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.673 14.419 9.616 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.039 14.457 7.258 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.139 12.821 7.951 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.206 13.248 6.867 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.667 16.051 8.059 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.978 14.902 7.699 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.811 15.577 9.337 1.00 0.00 H new ATOM 885 N GLY A 62 -5.103 12.422 10.381 1.00 0.00 N ATOM 886 CA GLY A 62 -6.245 11.539 10.520 1.00 0.00 C ATOM 887 C GLY A 62 -6.159 10.330 9.610 1.00 0.00 C ATOM 888 O GLY A 62 -5.209 10.192 8.840 1.00 0.00 O ATOM 0 H GLY A 62 -5.262 13.239 9.792 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.318 11.206 11.555 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.157 12.093 10.298 1.00 0.00 H new ATOM 892 N ALA A 63 -7.152 9.452 9.700 1.00 0.00 N ATOM 893 CA ALA A 63 -7.183 8.248 8.878 1.00 0.00 C ATOM 894 C ALA A 63 -7.079 8.593 7.396 1.00 0.00 C ATOM 895 O ALA A 63 -6.323 7.964 6.654 1.00 0.00 O ATOM 896 CB ALA A 63 -8.453 7.456 9.150 1.00 0.00 C ATOM 0 H ALA A 63 -7.945 9.551 10.333 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.322 7.634 9.143 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.463 6.560 8.530 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.485 7.170 10.201 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.322 8.070 8.914 1.00 0.00 H new ATOM 902 N LEU A 64 -7.842 9.593 6.971 1.00 0.00 N ATOM 903 CA LEU A 64 -7.836 10.021 5.577 1.00 0.00 C ATOM 904 C LEU A 64 -6.565 10.798 5.251 1.00 0.00 C ATOM 905 O LEU A 64 -5.852 10.471 4.304 1.00 0.00 O ATOM 906 CB LEU A 64 -9.065 10.884 5.282 1.00 0.00 C ATOM 907 CG LEU A 64 -9.636 10.777 3.867 1.00 0.00 C ATOM 908 CD1 LEU A 64 -9.796 9.320 3.465 1.00 0.00 C ATOM 909 CD2 LEU A 64 -10.968 11.508 3.774 1.00 0.00 C ATOM 0 H LEU A 64 -8.473 10.123 7.572 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.866 9.130 4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.850 10.618 5.990 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.806 11.926 5.470 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.937 11.248 3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.203 9.264 2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.825 8.826 3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.475 8.824 4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.360 11.422 2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.675 11.066 4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.823 12.560 4.019 1.00 0.00 H new ATOM 921 N GLU A 65 -6.289 11.830 6.044 1.00 0.00 N ATOM 922 CA GLU A 65 -5.102 12.652 5.840 1.00 0.00 C ATOM 923 C GLU A 65 -3.897 11.788 5.479 1.00 0.00 C ATOM 924 O GLU A 65 -3.033 12.202 4.705 1.00 0.00 O ATOM 925 CB GLU A 65 -4.799 13.470 7.098 1.00 0.00 C ATOM 926 CG GLU A 65 -5.782 14.604 7.337 1.00 0.00 C ATOM 927 CD GLU A 65 -5.878 15.552 6.157 1.00 0.00 C ATOM 928 OE1 GLU A 65 -4.835 16.111 5.758 1.00 0.00 O ATOM 929 OE2 GLU A 65 -6.997 15.734 5.633 1.00 0.00 O ATOM 0 H GLU A 65 -6.870 12.116 6.832 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.300 13.332 5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.805 12.807 7.963 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.793 13.883 7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.768 14.188 7.545 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.479 15.162 8.223 1.00 0.00 H new ATOM 936 N ALA A 66 -3.845 10.588 6.047 1.00 0.00 N ATOM 937 CA ALA A 66 -2.747 9.665 5.784 1.00 0.00 C ATOM 938 C ALA A 66 -2.797 9.147 4.351 1.00 0.00 C ATOM 939 O ALA A 66 -1.934 9.468 3.533 1.00 0.00 O ATOM 940 CB ALA A 66 -2.785 8.507 6.768 1.00 0.00 C ATOM 0 H ALA A 66 -4.550 10.232 6.692 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.810 10.207 5.914 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.960 7.826 6.560 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.692 8.890 7.784 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.730 7.974 6.666 1.00 0.00 H new ATOM 946 N THR A 67 -3.812 8.342 4.052 1.00 0.00 N ATOM 947 CA THR A 67 -3.973 7.778 2.719 1.00 0.00 C ATOM 948 C THR A 67 -3.595 8.790 1.643 1.00 0.00 C ATOM 949 O THR A 67 -2.981 8.439 0.636 1.00 0.00 O ATOM 950 CB THR A 67 -5.420 7.306 2.479 1.00 0.00 C ATOM 951 OG1 THR A 67 -5.855 6.485 3.567 1.00 0.00 O ATOM 952 CG2 THR A 67 -5.527 6.530 1.175 1.00 0.00 C ATOM 0 H THR A 67 -4.535 8.066 4.716 1.00 0.00 H new ATOM 0 HA THR A 67 -3.304 6.920 2.657 1.00 0.00 H new ATOM 0 HB THR A 67 -6.059 8.186 2.412 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.270 5.669 3.216 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.558 6.207 1.027 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.224 7.169 0.345 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.876 5.657 1.217 1.00 0.00 H new ATOM 960 N ALA A 68 -3.965 10.047 1.864 1.00 0.00 N ATOM 961 CA ALA A 68 -3.662 11.111 0.915 1.00 0.00 C ATOM 962 C ALA A 68 -2.183 11.110 0.544 1.00 0.00 C ATOM 963 O ALA A 68 -1.830 11.077 -0.634 1.00 0.00 O ATOM 964 CB ALA A 68 -4.064 12.461 1.490 1.00 0.00 C ATOM 0 H ALA A 68 -4.475 10.353 2.692 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.237 10.930 0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.832 13.246 0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.134 12.464 1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.514 12.641 2.414 1.00 0.00 H new ATOM 970 N TRP A 69 -1.324 11.149 1.556 1.00 0.00 N ATOM 971 CA TRP A 69 0.118 11.154 1.335 1.00 0.00 C ATOM 972 C TRP A 69 0.544 9.955 0.495 1.00 0.00 C ATOM 973 O TRP A 69 1.055 10.111 -0.613 1.00 0.00 O ATOM 974 CB TRP A 69 0.860 11.145 2.672 1.00 0.00 C ATOM 975 CG TRP A 69 2.347 11.029 2.526 1.00 0.00 C ATOM 976 CD1 TRP A 69 3.239 12.055 2.398 1.00 0.00 C ATOM 977 CD2 TRP A 69 3.113 9.821 2.491 1.00 0.00 C ATOM 978 NE1 TRP A 69 4.515 11.556 2.285 1.00 0.00 N ATOM 979 CE2 TRP A 69 4.464 10.189 2.340 1.00 0.00 C ATOM 980 CE3 TRP A 69 2.790 8.464 2.574 1.00 0.00 C ATOM 981 CZ2 TRP A 69 5.488 9.248 2.270 1.00 0.00 C ATOM 982 CZ3 TRP A 69 3.807 7.531 2.505 1.00 0.00 C ATOM 983 CH2 TRP A 69 5.143 7.926 2.354 1.00 0.00 C ATOM 0 H TRP A 69 -1.600 11.178 2.537 1.00 0.00 H new ATOM 0 HA TRP A 69 0.374 12.064 0.792 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.626 12.061 3.215 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.496 10.314 3.276 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.980 13.103 2.387 1.00 0.00 H new ATOM 0 HE1 TRP A 69 5.362 12.114 2.178 1.00 0.00 H new ATOM 0 HE3 TRP A 69 1.763 8.150 2.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.518 9.551 2.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.568 6.480 2.569 1.00 0.00 H new ATOM 0 HH2 TRP A 69 5.915 7.173 2.303 1.00 0.00 H new ATOM 994 N ALA A 70 0.330 8.757 1.030 1.00 0.00 N ATOM 995 CA ALA A 70 0.690 7.531 0.328 1.00 0.00 C ATOM 996 C ALA A 70 0.418 7.655 -1.168 1.00 0.00 C ATOM 997 O ALA A 70 1.327 7.524 -1.987 1.00 0.00 O ATOM 998 CB ALA A 70 -0.071 6.348 0.909 1.00 0.00 C ATOM 0 H ALA A 70 -0.091 8.610 1.947 1.00 0.00 H new ATOM 0 HA ALA A 70 1.759 7.364 0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.207 5.439 0.376 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.176 6.239 1.965 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.143 6.517 0.803 1.00 0.00 H new ATOM 1004 N LEU A 71 -0.839 7.907 -1.516 1.00 0.00 N ATOM 1005 CA LEU A 71 -1.232 8.046 -2.914 1.00 0.00 C ATOM 1006 C LEU A 71 -0.378 9.098 -3.616 1.00 0.00 C ATOM 1007 O LEU A 71 -0.099 8.990 -4.811 1.00 0.00 O ATOM 1008 CB LEU A 71 -2.711 8.426 -3.014 1.00 0.00 C ATOM 1009 CG LEU A 71 -3.711 7.297 -2.767 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -5.028 7.854 -2.249 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -3.933 6.492 -4.039 1.00 0.00 C ATOM 0 H LEU A 71 -1.603 8.019 -0.850 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.075 7.087 -3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.910 9.224 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.894 8.836 -4.007 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.298 6.632 -2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.727 7.035 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.856 8.384 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.446 8.542 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.648 5.693 -3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.323 7.145 -4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.987 6.061 -4.366 1.00 0.00 H new ATOM 1023 N LYS A 72 0.039 10.112 -2.866 1.00 0.00 N ATOM 1024 CA LYS A 72 0.865 11.181 -3.415 1.00 0.00 C ATOM 1025 C LYS A 72 2.297 10.705 -3.634 1.00 0.00 C ATOM 1026 O LYS A 72 2.744 10.551 -4.770 1.00 0.00 O ATOM 1027 CB LYS A 72 0.856 12.391 -2.477 1.00 0.00 C ATOM 1028 CG LYS A 72 1.197 13.699 -3.171 1.00 0.00 C ATOM 1029 CD LYS A 72 1.577 14.778 -2.170 1.00 0.00 C ATOM 1030 CE LYS A 72 2.106 16.022 -2.866 1.00 0.00 C ATOM 1031 NZ LYS A 72 1.033 16.743 -3.606 1.00 0.00 N ATOM 0 H LYS A 72 -0.182 10.216 -1.876 1.00 0.00 H new ATOM 0 HA LYS A 72 0.447 11.472 -4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.129 12.478 -2.019 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.569 12.220 -1.670 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.021 13.539 -3.866 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.343 14.033 -3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.707 15.039 -1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.334 14.392 -1.487 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.550 16.690 -2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.899 15.741 -3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.434 17.585 -4.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.626 16.114 -4.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.288 17.034 -2.941 1.00 0.00 H new ATOM 1045 N VAL A 73 3.013 10.470 -2.538 1.00 0.00 N ATOM 1046 CA VAL A 73 4.393 10.008 -2.610 1.00 0.00 C ATOM 1047 C VAL A 73 4.524 8.814 -3.549 1.00 0.00 C ATOM 1048 O VAL A 73 5.595 8.560 -4.101 1.00 0.00 O ATOM 1049 CB VAL A 73 4.927 9.614 -1.220 1.00 0.00 C ATOM 1050 CG1 VAL A 73 6.241 8.858 -1.347 1.00 0.00 C ATOM 1051 CG2 VAL A 73 5.095 10.848 -0.345 1.00 0.00 C ATOM 0 H VAL A 73 2.659 10.592 -1.589 1.00 0.00 H new ATOM 0 HA VAL A 73 4.985 10.838 -2.996 1.00 0.00 H new ATOM 0 HB VAL A 73 4.201 8.955 -0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.603 8.588 -0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.085 7.953 -1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.978 9.490 -1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.473 10.552 0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.801 11.533 -0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.132 11.344 -0.227 1.00 0.00 H new ATOM 1061 N ALA A 74 3.427 8.085 -3.728 1.00 0.00 N ATOM 1062 CA ALA A 74 3.419 6.918 -4.602 1.00 0.00 C ATOM 1063 C ALA A 74 3.264 7.330 -6.062 1.00 0.00 C ATOM 1064 O ALA A 74 3.745 6.642 -6.963 1.00 0.00 O ATOM 1065 CB ALA A 74 2.305 5.965 -4.198 1.00 0.00 C ATOM 0 H ALA A 74 2.532 8.282 -3.279 1.00 0.00 H new ATOM 0 HA ALA A 74 4.375 6.406 -4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.310 5.098 -4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.461 5.639 -3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.344 6.474 -4.276 1.00 0.00 H new ATOM 1071 N GLU A 75 2.591 8.453 -6.288 1.00 0.00 N ATOM 1072 CA GLU A 75 2.372 8.953 -7.641 1.00 0.00 C ATOM 1073 C GLU A 75 3.477 9.923 -8.047 1.00 0.00 C ATOM 1074 O GLU A 75 3.622 10.259 -9.222 1.00 0.00 O ATOM 1075 CB GLU A 75 1.010 9.643 -7.739 1.00 0.00 C ATOM 1076 CG GLU A 75 0.647 10.075 -9.150 1.00 0.00 C ATOM 1077 CD GLU A 75 1.304 11.383 -9.547 1.00 0.00 C ATOM 1078 OE1 GLU A 75 1.875 12.053 -8.662 1.00 0.00 O ATOM 1079 OE2 GLU A 75 1.247 11.736 -10.744 1.00 0.00 O ATOM 0 H GLU A 75 2.188 9.034 -5.553 1.00 0.00 H new ATOM 0 HA GLU A 75 2.390 8.103 -8.323 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.241 8.966 -7.366 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.007 10.517 -7.088 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.944 9.296 -9.852 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.435 10.178 -9.227 1.00 0.00 H new ATOM 1086 N ASN A 76 4.254 10.370 -7.066 1.00 0.00 N ATOM 1087 CA ASN A 76 5.346 11.303 -7.321 1.00 0.00 C ATOM 1088 C ASN A 76 6.681 10.570 -7.403 1.00 0.00 C ATOM 1089 O ASN A 76 7.420 10.713 -8.375 1.00 0.00 O ATOM 1090 CB ASN A 76 5.402 12.367 -6.222 1.00 0.00 C ATOM 1091 CG ASN A 76 4.470 13.531 -6.497 1.00 0.00 C ATOM 1092 OD1 ASN A 76 4.825 14.471 -7.209 1.00 0.00 O ATOM 1093 ND2 ASN A 76 3.269 13.474 -5.932 1.00 0.00 N ATOM 0 H ASN A 76 4.148 10.102 -6.088 1.00 0.00 H new ATOM 0 HA ASN A 76 5.160 11.788 -8.279 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.140 11.913 -5.267 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.423 12.737 -6.129 1.00 0.00 H new ATOM 0 HD21 ASN A 76 2.599 14.228 -6.081 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.017 12.676 -5.349 1.00 0.00 H new ATOM 1100 N GLU A 77 6.982 9.783 -6.374 1.00 0.00 N ATOM 1101 CA GLU A 77 8.227 9.027 -6.329 1.00 0.00 C ATOM 1102 C GLU A 77 8.075 7.684 -7.038 1.00 0.00 C ATOM 1103 O GLU A 77 8.679 7.449 -8.085 1.00 0.00 O ATOM 1104 CB GLU A 77 8.664 8.805 -4.880 1.00 0.00 C ATOM 1105 CG GLU A 77 9.417 9.981 -4.283 1.00 0.00 C ATOM 1106 CD GLU A 77 10.565 10.444 -5.160 1.00 0.00 C ATOM 1107 OE1 GLU A 77 11.536 9.675 -5.319 1.00 0.00 O ATOM 1108 OE2 GLU A 77 10.492 11.573 -5.687 1.00 0.00 O ATOM 0 H GLU A 77 6.380 9.653 -5.561 1.00 0.00 H new ATOM 0 HA GLU A 77 8.992 9.606 -6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.783 8.602 -4.271 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.296 7.918 -4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.726 10.809 -4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.803 9.701 -3.303 1.00 0.00 H new ATOM 1115 N LEU A 78 7.263 6.806 -6.460 1.00 0.00 N ATOM 1116 CA LEU A 78 7.029 5.485 -7.034 1.00 0.00 C ATOM 1117 C LEU A 78 6.430 5.598 -8.432 1.00 0.00 C ATOM 1118 O LEU A 78 6.699 4.771 -9.302 1.00 0.00 O ATOM 1119 CB LEU A 78 6.099 4.672 -6.132 1.00 0.00 C ATOM 1120 CG LEU A 78 6.406 4.720 -4.634 1.00 0.00 C ATOM 1121 CD1 LEU A 78 5.397 3.889 -3.857 1.00 0.00 C ATOM 1122 CD2 LEU A 78 7.821 4.234 -4.364 1.00 0.00 C ATOM 0 H LEU A 78 6.755 6.985 -5.594 1.00 0.00 H new ATOM 0 HA LEU A 78 7.989 4.974 -7.110 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.079 5.023 -6.285 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.130 3.632 -6.456 1.00 0.00 H new ATOM 0 HG LEU A 78 6.329 5.754 -4.299 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.630 3.934 -2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.395 4.283 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.442 2.853 -4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.022 4.275 -3.293 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.926 3.207 -4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.531 4.871 -4.891 1.00 0.00 H new ATOM 1134 N GLY A 79 5.618 6.630 -8.641 1.00 0.00 N ATOM 1135 CA GLY A 79 4.995 6.832 -9.936 1.00 0.00 C ATOM 1136 C GLY A 79 3.697 6.064 -10.081 1.00 0.00 C ATOM 1137 O GLY A 79 3.006 6.185 -11.094 1.00 0.00 O ATOM 0 H GLY A 79 5.381 7.329 -7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.803 7.895 -10.081 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.686 6.523 -10.720 1.00 0.00 H new ATOM 1141 N ILE A 80 3.364 5.270 -9.070 1.00 0.00 N ATOM 1142 CA ILE A 80 2.140 4.479 -9.090 1.00 0.00 C ATOM 1143 C ILE A 80 0.905 5.374 -9.073 1.00 0.00 C ATOM 1144 O ILE A 80 0.423 5.764 -8.010 1.00 0.00 O ATOM 1145 CB ILE A 80 2.075 3.511 -7.894 1.00 0.00 C ATOM 1146 CG1 ILE A 80 3.329 2.635 -7.850 1.00 0.00 C ATOM 1147 CG2 ILE A 80 0.823 2.650 -7.978 1.00 0.00 C ATOM 1148 CD1 ILE A 80 3.351 1.557 -8.911 1.00 0.00 C ATOM 0 H ILE A 80 3.925 5.157 -8.226 1.00 0.00 H new ATOM 0 HA ILE A 80 2.154 3.901 -10.014 1.00 0.00 H new ATOM 0 HB ILE A 80 2.030 4.095 -6.974 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.209 3.268 -7.968 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.402 2.168 -6.868 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.791 1.971 -7.126 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.060 3.289 -7.966 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.840 2.072 -8.902 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.268 0.975 -8.820 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.491 0.901 -8.781 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.310 2.017 -9.898 1.00 0.00 H new ATOM 1160 N THR A 81 0.398 5.696 -10.259 1.00 0.00 N ATOM 1161 CA THR A 81 -0.780 6.545 -10.381 1.00 0.00 C ATOM 1162 C THR A 81 -1.914 6.042 -9.495 1.00 0.00 C ATOM 1163 O THR A 81 -2.167 4.841 -9.392 1.00 0.00 O ATOM 1164 CB THR A 81 -1.275 6.614 -11.839 1.00 0.00 C ATOM 1165 OG1 THR A 81 -0.253 7.168 -12.677 1.00 0.00 O ATOM 1166 CG2 THR A 81 -2.536 7.458 -11.942 1.00 0.00 C ATOM 0 H THR A 81 0.785 5.381 -11.149 1.00 0.00 H new ATOM 0 HA THR A 81 -0.485 7.543 -10.058 1.00 0.00 H new ATOM 0 HB THR A 81 -1.507 5.602 -12.170 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.574 7.207 -13.602 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.867 7.492 -12.980 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.320 7.018 -11.326 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.326 8.470 -11.594 1.00 0.00 H new ATOM 1174 N PRO A 82 -2.615 6.980 -8.840 1.00 0.00 N ATOM 1175 CA PRO A 82 -3.735 6.654 -7.953 1.00 0.00 C ATOM 1176 C PRO A 82 -4.950 6.140 -8.716 1.00 0.00 C ATOM 1177 O PRO A 82 -5.774 6.922 -9.191 1.00 0.00 O ATOM 1178 CB PRO A 82 -4.053 7.991 -7.278 1.00 0.00 C ATOM 1179 CG PRO A 82 -3.571 9.024 -8.239 1.00 0.00 C ATOM 1180 CD PRO A 82 -2.368 8.429 -8.917 1.00 0.00 C ATOM 0 HA PRO A 82 -3.482 5.857 -7.254 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.121 8.095 -7.088 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.548 8.079 -6.316 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.345 9.273 -8.965 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.311 9.947 -7.721 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.280 8.767 -9.949 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.443 8.706 -8.411 1.00 0.00 H new ATOM 1188 N VAL A 83 -5.057 4.820 -8.831 1.00 0.00 N ATOM 1189 CA VAL A 83 -6.173 4.201 -9.536 1.00 0.00 C ATOM 1190 C VAL A 83 -7.475 4.376 -8.765 1.00 0.00 C ATOM 1191 O VAL A 83 -8.555 4.434 -9.352 1.00 0.00 O ATOM 1192 CB VAL A 83 -5.925 2.699 -9.770 1.00 0.00 C ATOM 1193 CG1 VAL A 83 -6.320 1.895 -8.541 1.00 0.00 C ATOM 1194 CG2 VAL A 83 -6.685 2.219 -10.997 1.00 0.00 C ATOM 0 H VAL A 83 -4.384 4.158 -8.445 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.256 4.703 -10.500 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.860 2.548 -9.947 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.138 0.836 -8.725 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.728 2.222 -7.686 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.378 2.050 -8.330 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.498 1.156 -11.148 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -7.753 2.383 -10.851 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.349 2.774 -11.873 1.00 0.00 H new ATOM 1204 N VAL A 84 -7.366 4.461 -7.442 1.00 0.00 N ATOM 1205 CA VAL A 84 -8.537 4.631 -6.589 1.00 0.00 C ATOM 1206 C VAL A 84 -8.472 5.950 -5.825 1.00 0.00 C ATOM 1207 O VAL A 84 -7.390 6.452 -5.524 1.00 0.00 O ATOM 1208 CB VAL A 84 -8.670 3.474 -5.581 1.00 0.00 C ATOM 1209 CG1 VAL A 84 -9.716 3.801 -4.526 1.00 0.00 C ATOM 1210 CG2 VAL A 84 -9.012 2.178 -6.301 1.00 0.00 C ATOM 0 H VAL A 84 -6.480 4.415 -6.939 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.408 4.635 -7.244 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.712 3.341 -5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.795 2.972 -3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.423 4.704 -3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.680 3.962 -5.008 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.102 1.371 -5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.957 2.295 -6.832 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.222 1.938 -7.013 1.00 0.00 H new ATOM 1220 N SER A 85 -9.640 6.505 -5.515 1.00 0.00 N ATOM 1221 CA SER A 85 -9.716 7.767 -4.789 1.00 0.00 C ATOM 1222 C SER A 85 -9.448 7.557 -3.302 1.00 0.00 C ATOM 1223 O SER A 85 -10.053 6.693 -2.667 1.00 0.00 O ATOM 1224 CB SER A 85 -11.092 8.408 -4.985 1.00 0.00 C ATOM 1225 OG SER A 85 -11.184 9.044 -6.249 1.00 0.00 O ATOM 0 H SER A 85 -10.545 6.101 -5.755 1.00 0.00 H new ATOM 0 HA SER A 85 -8.951 8.433 -5.187 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.867 7.646 -4.901 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.273 9.136 -4.194 1.00 0.00 H new ATOM 0 HG SER A 85 -12.073 9.444 -6.350 1.00 0.00 H new ATOM 1231 N ALA A 86 -8.535 8.352 -2.754 1.00 0.00 N ATOM 1232 CA ALA A 86 -8.187 8.255 -1.342 1.00 0.00 C ATOM 1233 C ALA A 86 -9.421 7.977 -0.490 1.00 0.00 C ATOM 1234 O ALA A 86 -9.404 7.102 0.375 1.00 0.00 O ATOM 1235 CB ALA A 86 -7.500 9.531 -0.880 1.00 0.00 C ATOM 0 H ALA A 86 -8.023 9.070 -3.266 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.498 7.419 -1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.245 9.445 0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.591 9.686 -1.461 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.171 10.378 -1.024 1.00 0.00 H new ATOM 1241 N GLN A 87 -10.488 8.729 -0.739 1.00 0.00 N ATOM 1242 CA GLN A 87 -11.730 8.563 0.007 1.00 0.00 C ATOM 1243 C GLN A 87 -12.300 7.162 -0.188 1.00 0.00 C ATOM 1244 O GLN A 87 -12.698 6.504 0.772 1.00 0.00 O ATOM 1245 CB GLN A 87 -12.756 9.609 -0.431 1.00 0.00 C ATOM 1246 CG GLN A 87 -13.775 9.949 0.644 1.00 0.00 C ATOM 1247 CD GLN A 87 -14.704 11.074 0.233 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -14.275 12.062 -0.364 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -15.986 10.930 0.552 1.00 0.00 N ATOM 0 H GLN A 87 -10.518 9.459 -1.451 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.509 8.701 1.065 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.232 10.519 -0.724 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.280 9.244 -1.314 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.365 9.062 0.874 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.253 10.230 1.558 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -16.298 10.094 1.047 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -16.658 11.655 0.302 1.00 0.00 H new ATOM 1258 N ALA A 88 -12.335 6.712 -1.438 1.00 0.00 N ATOM 1259 CA ALA A 88 -12.854 5.388 -1.759 1.00 0.00 C ATOM 1260 C ALA A 88 -12.134 4.308 -0.959 1.00 0.00 C ATOM 1261 O ALA A 88 -12.766 3.412 -0.398 1.00 0.00 O ATOM 1262 CB ALA A 88 -12.724 5.117 -3.251 1.00 0.00 C ATOM 0 H ALA A 88 -12.010 7.245 -2.245 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.909 5.363 -1.487 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.115 4.125 -3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.289 5.865 -3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.674 5.167 -3.540 1.00 0.00 H new ATOM 1268 N VAL A 89 -10.809 4.397 -0.910 1.00 0.00 N ATOM 1269 CA VAL A 89 -10.003 3.427 -0.179 1.00 0.00 C ATOM 1270 C VAL A 89 -10.384 3.398 1.297 1.00 0.00 C ATOM 1271 O VAL A 89 -10.574 2.331 1.880 1.00 0.00 O ATOM 1272 CB VAL A 89 -8.500 3.736 -0.304 1.00 0.00 C ATOM 1273 CG1 VAL A 89 -7.680 2.733 0.493 1.00 0.00 C ATOM 1274 CG2 VAL A 89 -8.078 3.742 -1.765 1.00 0.00 C ATOM 0 H VAL A 89 -10.270 5.132 -1.369 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.203 2.452 -0.623 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.315 4.728 0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.620 2.968 0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.965 2.784 1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.867 1.728 0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.013 3.962 -1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.276 2.765 -2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.642 4.504 -2.304 1.00 0.00 H new ATOM 1284 N VAL A 90 -10.495 4.579 1.897 1.00 0.00 N ATOM 1285 CA VAL A 90 -10.855 4.691 3.305 1.00 0.00 C ATOM 1286 C VAL A 90 -12.345 4.443 3.513 1.00 0.00 C ATOM 1287 O VAL A 90 -12.741 3.446 4.114 1.00 0.00 O ATOM 1288 CB VAL A 90 -10.493 6.078 3.869 1.00 0.00 C ATOM 1289 CG1 VAL A 90 -11.065 6.252 5.268 1.00 0.00 C ATOM 1290 CG2 VAL A 90 -8.985 6.273 3.874 1.00 0.00 C ATOM 0 H VAL A 90 -10.341 5.472 1.429 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.285 3.930 3.838 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.934 6.839 3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.799 7.238 5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.150 6.158 5.232 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.656 5.485 5.926 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -8.747 7.258 4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.521 5.506 4.495 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.605 6.195 2.856 1.00 0.00 H new ATOM 1300 N ALA A 91 -13.167 5.359 3.010 1.00 0.00 N ATOM 1301 CA ALA A 91 -14.614 5.239 3.138 1.00 0.00 C ATOM 1302 C ALA A 91 -15.065 3.794 2.946 1.00 0.00 C ATOM 1303 O ALA A 91 -15.961 3.317 3.639 1.00 0.00 O ATOM 1304 CB ALA A 91 -15.310 6.148 2.136 1.00 0.00 C ATOM 0 H ALA A 91 -12.855 6.192 2.510 1.00 0.00 H new ATOM 0 HA ALA A 91 -14.891 5.548 4.146 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.390 6.048 2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -15.021 7.183 2.322 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -15.018 5.866 1.125 1.00 0.00 H new ATOM 1310 N GLY A 92 -14.436 3.104 1.999 1.00 0.00 N ATOM 1311 CA GLY A 92 -14.787 1.722 1.732 1.00 0.00 C ATOM 1312 C GLY A 92 -15.948 1.595 0.765 1.00 0.00 C ATOM 1313 O GLY A 92 -16.912 0.878 1.033 1.00 0.00 O ATOM 0 H GLY A 92 -13.690 3.478 1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.920 1.202 1.324 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -15.043 1.228 2.669 1.00 0.00 H new ATOM 1317 N SER A 93 -15.856 2.293 -0.362 1.00 0.00 N ATOM 1318 CA SER A 93 -16.908 2.258 -1.371 1.00 0.00 C ATOM 1319 C SER A 93 -16.511 1.365 -2.542 1.00 0.00 C ATOM 1320 O SER A 93 -17.316 0.577 -3.037 1.00 0.00 O ATOM 1321 CB SER A 93 -17.210 3.672 -1.872 1.00 0.00 C ATOM 1322 OG SER A 93 -18.079 3.642 -2.990 1.00 0.00 O ATOM 0 H SER A 93 -15.064 2.890 -0.599 1.00 0.00 H new ATOM 0 HA SER A 93 -17.805 1.844 -0.910 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.663 4.256 -1.071 1.00 0.00 H new ATOM 0 HB3 SER A 93 -16.280 4.171 -2.144 1.00 0.00 H new ATOM 0 HG SER A 93 -18.258 4.558 -3.290 1.00 0.00 H new ATOM 1328 N ASP A 94 -15.263 1.494 -2.979 1.00 0.00 N ATOM 1329 CA ASP A 94 -14.757 0.699 -4.092 1.00 0.00 C ATOM 1330 C ASP A 94 -13.637 -0.230 -3.630 1.00 0.00 C ATOM 1331 O ASP A 94 -12.457 0.121 -3.653 1.00 0.00 O ATOM 1332 CB ASP A 94 -14.250 1.612 -5.210 1.00 0.00 C ATOM 1333 CG ASP A 94 -15.354 2.459 -5.810 1.00 0.00 C ATOM 1334 OD1 ASP A 94 -16.034 1.976 -6.740 1.00 0.00 O ATOM 1335 OD2 ASP A 94 -15.539 3.606 -5.351 1.00 0.00 O ATOM 0 H ASP A 94 -14.583 2.141 -2.580 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.576 0.090 -4.474 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.469 2.263 -4.817 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -13.795 1.005 -5.993 1.00 0.00 H new ATOM 1340 N PRO A 95 -14.014 -1.442 -3.199 1.00 0.00 N ATOM 1341 CA PRO A 95 -13.058 -2.447 -2.723 1.00 0.00 C ATOM 1342 C PRO A 95 -12.196 -3.006 -3.850 1.00 0.00 C ATOM 1343 O PRO A 95 -10.992 -3.206 -3.685 1.00 0.00 O ATOM 1344 CB PRO A 95 -13.954 -3.542 -2.141 1.00 0.00 C ATOM 1345 CG PRO A 95 -15.249 -3.397 -2.864 1.00 0.00 C ATOM 1346 CD PRO A 95 -15.404 -1.928 -3.145 1.00 0.00 C ATOM 0 HA PRO A 95 -12.352 -2.030 -2.005 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.522 -4.531 -2.297 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.085 -3.417 -1.066 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.246 -3.973 -3.789 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -16.077 -3.768 -2.260 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.928 -1.752 -4.084 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -15.975 -1.427 -2.363 1.00 0.00 H new ATOM 1354 N LEU A 96 -12.820 -3.257 -4.996 1.00 0.00 N ATOM 1355 CA LEU A 96 -12.110 -3.794 -6.152 1.00 0.00 C ATOM 1356 C LEU A 96 -10.966 -2.872 -6.566 1.00 0.00 C ATOM 1357 O LEU A 96 -9.864 -3.328 -6.864 1.00 0.00 O ATOM 1358 CB LEU A 96 -13.074 -3.987 -7.324 1.00 0.00 C ATOM 1359 CG LEU A 96 -14.048 -5.160 -7.205 1.00 0.00 C ATOM 1360 CD1 LEU A 96 -15.334 -4.717 -6.523 1.00 0.00 C ATOM 1361 CD2 LEU A 96 -14.346 -5.747 -8.577 1.00 0.00 C ATOM 0 H LEU A 96 -13.816 -3.097 -5.149 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.690 -4.760 -5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.652 -3.071 -7.447 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.487 -4.118 -8.233 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.583 -5.934 -6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.016 -5.564 -6.447 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.106 -4.343 -5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.802 -3.926 -7.108 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.041 -6.581 -8.473 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.791 -4.981 -9.212 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.420 -6.101 -9.030 1.00 0.00 H new ATOM 1373 N GLY A 97 -11.239 -1.570 -6.578 1.00 0.00 N ATOM 1374 CA GLY A 97 -10.224 -0.604 -6.955 1.00 0.00 C ATOM 1375 C GLY A 97 -8.948 -0.760 -6.149 1.00 0.00 C ATOM 1376 O GLY A 97 -7.856 -0.845 -6.713 1.00 0.00 O ATOM 0 H GLY A 97 -12.144 -1.168 -6.334 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -9.997 -0.715 -8.015 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.616 0.404 -6.817 1.00 0.00 H new ATOM 1380 N LEU A 98 -9.085 -0.798 -4.829 1.00 0.00 N ATOM 1381 CA LEU A 98 -7.934 -0.943 -3.944 1.00 0.00 C ATOM 1382 C LEU A 98 -7.050 -2.104 -4.387 1.00 0.00 C ATOM 1383 O LEU A 98 -5.840 -1.947 -4.554 1.00 0.00 O ATOM 1384 CB LEU A 98 -8.398 -1.161 -2.503 1.00 0.00 C ATOM 1385 CG LEU A 98 -7.324 -1.615 -1.514 1.00 0.00 C ATOM 1386 CD1 LEU A 98 -6.183 -0.610 -1.466 1.00 0.00 C ATOM 1387 CD2 LEU A 98 -7.923 -1.811 -0.129 1.00 0.00 C ATOM 0 H LEU A 98 -9.981 -0.730 -4.347 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.349 -0.025 -3.996 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.831 -0.230 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.196 -1.903 -2.508 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.925 -2.571 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.428 -0.950 -0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.736 -0.519 -2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.566 0.361 -1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.144 -2.134 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.350 -0.870 0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.705 -2.569 -0.175 1.00 0.00 H new ATOM 1399 N ILE A 99 -7.662 -3.267 -4.579 1.00 0.00 N ATOM 1400 CA ILE A 99 -6.931 -4.453 -5.007 1.00 0.00 C ATOM 1401 C ILE A 99 -6.092 -4.166 -6.247 1.00 0.00 C ATOM 1402 O ILE A 99 -4.889 -4.419 -6.269 1.00 0.00 O ATOM 1403 CB ILE A 99 -7.884 -5.625 -5.306 1.00 0.00 C ATOM 1404 CG1 ILE A 99 -8.681 -5.996 -4.054 1.00 0.00 C ATOM 1405 CG2 ILE A 99 -7.103 -6.826 -5.817 1.00 0.00 C ATOM 1406 CD1 ILE A 99 -9.945 -6.772 -4.349 1.00 0.00 C ATOM 0 H ILE A 99 -8.662 -3.414 -4.445 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.273 -4.731 -4.183 1.00 0.00 H new ATOM 0 HB ILE A 99 -8.584 -5.314 -6.081 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -8.048 -6.587 -3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.941 -5.085 -3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.791 -7.646 -6.024 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.576 -6.555 -6.732 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.382 -7.139 -5.062 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -10.458 -7.000 -3.415 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -10.598 -6.175 -4.985 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -9.691 -7.701 -4.860 1.00 0.00 H new ATOM 1418 N ALA A 100 -6.738 -3.631 -7.280 1.00 0.00 N ATOM 1419 CA ALA A 100 -6.051 -3.304 -8.524 1.00 0.00 C ATOM 1420 C ALA A 100 -4.929 -2.301 -8.283 1.00 0.00 C ATOM 1421 O ALA A 100 -3.884 -2.355 -8.934 1.00 0.00 O ATOM 1422 CB ALA A 100 -7.040 -2.759 -9.544 1.00 0.00 C ATOM 0 H ALA A 100 -7.735 -3.415 -7.279 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.607 -4.218 -8.918 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.514 -2.519 -10.468 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.805 -3.509 -9.746 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.510 -1.858 -9.150 1.00 0.00 H new ATOM 1428 N TYR A 101 -5.150 -1.385 -7.347 1.00 0.00 N ATOM 1429 CA TYR A 101 -4.158 -0.367 -7.023 1.00 0.00 C ATOM 1430 C TYR A 101 -2.873 -1.004 -6.503 1.00 0.00 C ATOM 1431 O TYR A 101 -1.792 -0.788 -7.052 1.00 0.00 O ATOM 1432 CB TYR A 101 -4.715 0.606 -5.982 1.00 0.00 C ATOM 1433 CG TYR A 101 -3.815 1.792 -5.719 1.00 0.00 C ATOM 1434 CD1 TYR A 101 -3.194 2.462 -6.766 1.00 0.00 C ATOM 1435 CD2 TYR A 101 -3.586 2.241 -4.425 1.00 0.00 C ATOM 1436 CE1 TYR A 101 -2.370 3.546 -6.530 1.00 0.00 C ATOM 1437 CE2 TYR A 101 -2.765 3.325 -4.181 1.00 0.00 C ATOM 1438 CZ TYR A 101 -2.159 3.974 -5.236 1.00 0.00 C ATOM 1439 OH TYR A 101 -1.339 5.053 -4.996 1.00 0.00 O ATOM 0 H TYR A 101 -6.008 -1.327 -6.799 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.927 0.181 -7.936 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.688 0.966 -6.317 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.878 0.070 -5.047 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.358 2.130 -7.781 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.057 1.734 -3.596 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.894 4.055 -7.355 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.599 3.663 -3.169 1.00 0.00 H new ATOM 0 HH TYR A 101 -1.481 5.732 -5.688 1.00 0.00 H new ATOM 1449 N LEU A 102 -2.999 -1.792 -5.440 1.00 0.00 N ATOM 1450 CA LEU A 102 -1.849 -2.462 -4.844 1.00 0.00 C ATOM 1451 C LEU A 102 -1.092 -3.276 -5.889 1.00 0.00 C ATOM 1452 O LEU A 102 0.139 -3.299 -5.899 1.00 0.00 O ATOM 1453 CB LEU A 102 -2.301 -3.373 -3.701 1.00 0.00 C ATOM 1454 CG LEU A 102 -2.995 -2.683 -2.527 1.00 0.00 C ATOM 1455 CD1 LEU A 102 -3.541 -3.712 -1.550 1.00 0.00 C ATOM 1456 CD2 LEU A 102 -2.035 -1.734 -1.823 1.00 0.00 C ATOM 0 H LEU A 102 -3.886 -1.982 -4.974 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.179 -1.699 -4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.979 -4.123 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.429 -3.904 -3.320 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.831 -2.101 -2.915 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.032 -3.202 -0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.261 -4.352 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.722 -4.321 -1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.546 -1.251 -0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.179 -2.295 -1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -1.692 -0.975 -2.527 1.00 0.00 H new ATOM 1468 N SER A 103 -1.835 -3.941 -6.767 1.00 0.00 N ATOM 1469 CA SER A 103 -1.234 -4.757 -7.816 1.00 0.00 C ATOM 1470 C SER A 103 -0.091 -4.010 -8.496 1.00 0.00 C ATOM 1471 O SER A 103 0.911 -4.609 -8.888 1.00 0.00 O ATOM 1472 CB SER A 103 -2.288 -5.151 -8.852 1.00 0.00 C ATOM 1473 OG SER A 103 -1.897 -6.315 -9.560 1.00 0.00 O ATOM 0 H SER A 103 -2.855 -3.931 -6.773 1.00 0.00 H new ATOM 0 HA SER A 103 -0.833 -5.660 -7.355 1.00 0.00 H new ATOM 0 HB2 SER A 103 -3.242 -5.327 -8.356 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.439 -4.329 -9.552 1.00 0.00 H new ATOM 0 HG SER A 103 -2.588 -6.547 -10.215 1.00 0.00 H new ATOM 1479 N HIS A 104 -0.248 -2.698 -8.634 1.00 0.00 N ATOM 1480 CA HIS A 104 0.772 -1.867 -9.267 1.00 0.00 C ATOM 1481 C HIS A 104 2.064 -1.881 -8.456 1.00 0.00 C ATOM 1482 O HIS A 104 3.151 -2.063 -9.004 1.00 0.00 O ATOM 1483 CB HIS A 104 0.268 -0.433 -9.420 1.00 0.00 C ATOM 1484 CG HIS A 104 -1.013 -0.326 -10.189 1.00 0.00 C ATOM 1485 ND1 HIS A 104 -1.413 0.828 -10.829 1.00 0.00 N ATOM 1486 CD2 HIS A 104 -1.984 -1.239 -10.422 1.00 0.00 C ATOM 1487 CE1 HIS A 104 -2.576 0.621 -11.420 1.00 0.00 C ATOM 1488 NE2 HIS A 104 -2.945 -0.626 -11.188 1.00 0.00 N ATOM 0 H HIS A 104 -1.071 -2.186 -8.316 1.00 0.00 H new ATOM 0 HA HIS A 104 0.979 -2.278 -10.255 1.00 0.00 H new ATOM 0 HB2 HIS A 104 0.125 0.000 -8.430 1.00 0.00 H new ATOM 0 HB3 HIS A 104 1.033 0.161 -9.920 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -2.000 -2.260 -10.071 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -3.131 1.348 -11.995 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -3.804 -1.062 -11.523 1.00 0.00 H new ATOM 1497 N PHE A 105 1.938 -1.689 -7.147 1.00 0.00 N ATOM 1498 CA PHE A 105 3.095 -1.677 -6.261 1.00 0.00 C ATOM 1499 C PHE A 105 3.845 -3.006 -6.328 1.00 0.00 C ATOM 1500 O PHE A 105 5.067 -3.034 -6.477 1.00 0.00 O ATOM 1501 CB PHE A 105 2.660 -1.397 -4.821 1.00 0.00 C ATOM 1502 CG PHE A 105 2.307 0.041 -4.572 1.00 0.00 C ATOM 1503 CD1 PHE A 105 1.162 0.593 -5.125 1.00 0.00 C ATOM 1504 CD2 PHE A 105 3.118 0.841 -3.783 1.00 0.00 C ATOM 1505 CE1 PHE A 105 0.834 1.917 -4.897 1.00 0.00 C ATOM 1506 CE2 PHE A 105 2.794 2.165 -3.551 1.00 0.00 C ATOM 1507 CZ PHE A 105 1.652 2.704 -4.109 1.00 0.00 C ATOM 0 H PHE A 105 1.045 -1.540 -6.677 1.00 0.00 H new ATOM 0 HA PHE A 105 3.765 -0.883 -6.591 1.00 0.00 H new ATOM 0 HB2 PHE A 105 1.799 -2.021 -4.582 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.463 -1.689 -4.144 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.519 -0.018 -5.741 1.00 0.00 H new ATOM 0 HD2 PHE A 105 4.013 0.426 -3.344 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.060 2.335 -5.334 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.434 2.777 -2.933 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.399 3.738 -3.930 1.00 0.00 H new ATOM 1517 N HIS A 106 3.104 -4.102 -6.215 1.00 0.00 N ATOM 1518 CA HIS A 106 3.697 -5.434 -6.264 1.00 0.00 C ATOM 1519 C HIS A 106 4.209 -5.751 -7.665 1.00 0.00 C ATOM 1520 O HIS A 106 5.409 -5.937 -7.871 1.00 0.00 O ATOM 1521 CB HIS A 106 2.675 -6.486 -5.832 1.00 0.00 C ATOM 1522 CG HIS A 106 3.256 -7.858 -5.679 1.00 0.00 C ATOM 1523 ND1 HIS A 106 2.534 -9.011 -5.907 1.00 0.00 N ATOM 1524 CD2 HIS A 106 4.498 -8.259 -5.321 1.00 0.00 C ATOM 1525 CE1 HIS A 106 3.307 -10.061 -5.694 1.00 0.00 C ATOM 1526 NE2 HIS A 106 4.503 -9.632 -5.338 1.00 0.00 N ATOM 0 H HIS A 106 2.092 -4.095 -6.089 1.00 0.00 H new ATOM 0 HA HIS A 106 4.542 -5.454 -5.575 1.00 0.00 H new ATOM 0 HB2 HIS A 106 2.230 -6.181 -4.885 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.870 -6.521 -6.566 1.00 0.00 H new ATOM 0 HD2 HIS A 106 5.330 -7.618 -5.069 1.00 0.00 H new ATOM 0 HE1 HIS A 106 3.010 -11.095 -5.794 1.00 0.00 H new ATOM 0 HE2 HIS A 106 5.302 -10.224 -5.112 1.00 0.00 H new ATOM 1535 N SER A 107 3.293 -5.811 -8.625 1.00 0.00 N ATOM 1536 CA SER A 107 3.652 -6.109 -10.007 1.00 0.00 C ATOM 1537 C SER A 107 4.995 -5.481 -10.368 1.00 0.00 C ATOM 1538 O SER A 107 5.783 -6.063 -11.112 1.00 0.00 O ATOM 1539 CB SER A 107 2.567 -5.601 -10.959 1.00 0.00 C ATOM 1540 OG SER A 107 2.536 -4.184 -10.987 1.00 0.00 O ATOM 0 H SER A 107 2.296 -5.657 -8.472 1.00 0.00 H new ATOM 0 HA SER A 107 3.738 -7.191 -10.108 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.751 -5.984 -11.963 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.596 -5.983 -10.645 1.00 0.00 H new ATOM 0 HG SER A 107 2.320 -3.844 -10.094 1.00 0.00 H new ATOM 1546 N ALA A 108 5.247 -4.292 -9.832 1.00 0.00 N ATOM 1547 CA ALA A 108 6.495 -3.586 -10.094 1.00 0.00 C ATOM 1548 C ALA A 108 7.575 -3.989 -9.096 1.00 0.00 C ATOM 1549 O ALA A 108 8.707 -4.285 -9.478 1.00 0.00 O ATOM 1550 CB ALA A 108 6.270 -2.082 -10.051 1.00 0.00 C ATOM 0 H ALA A 108 4.604 -3.797 -9.214 1.00 0.00 H new ATOM 0 HA ALA A 108 6.837 -3.863 -11.091 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.211 -1.568 -10.248 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.537 -1.802 -10.808 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.901 -1.797 -9.066 1.00 0.00 H new ATOM 1556 N PHE A 109 7.217 -3.999 -7.817 1.00 0.00 N ATOM 1557 CA PHE A 109 8.156 -4.365 -6.763 1.00 0.00 C ATOM 1558 C PHE A 109 7.996 -5.833 -6.377 1.00 0.00 C ATOM 1559 O PHE A 109 8.061 -6.189 -5.200 1.00 0.00 O ATOM 1560 CB PHE A 109 7.948 -3.478 -5.534 1.00 0.00 C ATOM 1561 CG PHE A 109 8.439 -2.071 -5.720 1.00 0.00 C ATOM 1562 CD1 PHE A 109 9.784 -1.767 -5.579 1.00 0.00 C ATOM 1563 CD2 PHE A 109 7.556 -1.051 -6.037 1.00 0.00 C ATOM 1564 CE1 PHE A 109 10.238 -0.474 -5.750 1.00 0.00 C ATOM 1565 CE2 PHE A 109 8.004 0.246 -6.210 1.00 0.00 C ATOM 1566 CZ PHE A 109 9.348 0.534 -6.066 1.00 0.00 C ATOM 0 H PHE A 109 6.283 -3.758 -7.485 1.00 0.00 H new ATOM 0 HA PHE A 109 9.166 -4.215 -7.144 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.886 -3.454 -5.289 1.00 0.00 H new ATOM 0 HB3 PHE A 109 8.462 -3.924 -4.683 1.00 0.00 H new ATOM 0 HD1 PHE A 109 10.485 -2.551 -5.333 1.00 0.00 H new ATOM 0 HD2 PHE A 109 6.505 -1.272 -6.150 1.00 0.00 H new ATOM 0 HE1 PHE A 109 11.289 -0.251 -5.637 1.00 0.00 H new ATOM 0 HE2 PHE A 109 7.305 1.032 -6.457 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.702 1.546 -6.200 1.00 0.00 H new ATOM 1576 N LYS A 110 7.787 -6.682 -7.378 1.00 0.00 N ATOM 1577 CA LYS A 110 7.618 -8.111 -7.146 1.00 0.00 C ATOM 1578 C LYS A 110 8.935 -8.754 -6.723 1.00 0.00 C ATOM 1579 O LYS A 110 9.931 -8.681 -7.444 1.00 0.00 O ATOM 1580 CB LYS A 110 7.087 -8.794 -8.408 1.00 0.00 C ATOM 1581 CG LYS A 110 5.571 -8.842 -8.483 1.00 0.00 C ATOM 1582 CD LYS A 110 5.088 -10.049 -9.269 1.00 0.00 C ATOM 1583 CE LYS A 110 4.966 -9.737 -10.752 1.00 0.00 C ATOM 1584 NZ LYS A 110 4.599 -10.943 -11.544 1.00 0.00 N ATOM 0 H LYS A 110 7.731 -6.404 -8.358 1.00 0.00 H new ATOM 0 HA LYS A 110 6.896 -8.239 -6.339 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.469 -8.268 -9.283 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.477 -9.811 -8.452 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.157 -8.874 -7.475 1.00 0.00 H new ATOM 0 HG3 LYS A 110 5.200 -7.930 -8.951 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.781 -10.878 -9.127 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.121 -10.372 -8.884 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.213 -8.963 -10.899 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.911 -9.336 -11.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 4.526 -10.689 -12.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 5.330 -11.673 -11.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 3.685 -11.311 -11.212 1.00 0.00 H new