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 Single : A 16 CYS SG : rot -133:sc= 0.31 USER MOD Single : A 17 GLN : amide:sc= 0.249 K(o=0.25,f=-1) USER MOD Single : A 19 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.29) USER MOD Single : A 20 THR OG1 : rot -66:sc= 0.281 USER MOD Single : A 23 TYR OH : rot 30:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.878 K(o=-0.88,f=-0.17) USER MOD Single : A 29 SER OG : rot -30:sc= 0.0952 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 86:sc= 0.939 USER MOD Single : A 42 CYS SG : rot 62:sc= -4.12! USER MOD Single : A 46 TYR OH : rot 114:sc= 1.59 USER MOD Single : A 49 GLN : amide:sc= -0.914 K(o=-0.91,f=-0.27) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot -130:sc= -1.04 USER MOD Single : A 72 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.758) USER MOD Single : A 76 ASN : amide:sc= -1.85! K(o=-1.9!,f=-0.99) 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 K(o=0,f=-0.63) USER MOD Single : A 93 SER OG : rot 180:sc= -0.0883 USER MOD Single : A 101 TYR OH : rot -10:sc= -0.385 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-0.33) USER MOD Single : A 106 HIS : no HD1:sc= -4.64 K(o=-4.6,f=-3!) USER MOD Single : A 107 SER OG : rot 81:sc= 1.14 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N GLU A 11 -0.898 -13.729 -3.470 1.00 0.00 N ATOM 113 CA GLU A 11 0.511 -13.355 -3.482 1.00 0.00 C ATOM 114 C GLU A 11 0.686 -11.878 -3.144 1.00 0.00 C ATOM 115 O GLU A 11 1.688 -11.479 -2.549 1.00 0.00 O ATOM 116 CB GLU A 11 1.129 -13.654 -4.849 1.00 0.00 C ATOM 117 CG GLU A 11 2.646 -13.731 -4.829 1.00 0.00 C ATOM 118 CD GLU A 11 3.157 -15.049 -4.278 1.00 0.00 C ATOM 119 OE1 GLU A 11 2.904 -15.332 -3.089 1.00 0.00 O ATOM 120 OE2 GLU A 11 3.808 -15.795 -5.037 1.00 0.00 O ATOM 0 HA GLU A 11 1.023 -13.946 -2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.731 -14.599 -5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.822 -12.881 -5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.026 -13.593 -5.841 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.040 -12.913 -4.226 1.00 0.00 H new ATOM 127 N LEU A 12 -0.295 -11.070 -3.529 1.00 0.00 N ATOM 128 CA LEU A 12 -0.251 -9.635 -3.269 1.00 0.00 C ATOM 129 C LEU A 12 -0.383 -9.348 -1.776 1.00 0.00 C ATOM 130 O LEU A 12 0.367 -8.546 -1.218 1.00 0.00 O ATOM 131 CB LEU A 12 -1.366 -8.922 -4.037 1.00 0.00 C ATOM 132 CG LEU A 12 -1.481 -7.415 -3.809 1.00 0.00 C ATOM 133 CD1 LEU A 12 -0.234 -6.702 -4.308 1.00 0.00 C ATOM 134 CD2 LEU A 12 -2.723 -6.865 -4.494 1.00 0.00 C ATOM 0 H LEU A 12 -1.131 -11.384 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 12 0.714 -9.259 -3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.216 -9.097 -5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.317 -9.383 -3.769 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.572 -7.235 -2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.335 -5.630 -4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.638 -7.075 -3.771 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.110 -6.889 -5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.788 -5.791 -4.321 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.663 -7.057 -5.565 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.609 -7.353 -4.087 1.00 0.00 H new ATOM 146 N LEU A 13 -1.340 -10.010 -1.134 1.00 0.00 N ATOM 147 CA LEU A 13 -1.569 -9.828 0.295 1.00 0.00 C ATOM 148 C LEU A 13 -0.292 -10.088 1.088 1.00 0.00 C ATOM 149 O LEU A 13 0.348 -9.156 1.575 1.00 0.00 O ATOM 150 CB LEU A 13 -2.681 -10.762 0.776 1.00 0.00 C ATOM 151 CG LEU A 13 -2.837 -10.895 2.291 1.00 0.00 C ATOM 152 CD1 LEU A 13 -3.250 -9.566 2.904 1.00 0.00 C ATOM 153 CD2 LEU A 13 -3.850 -11.978 2.630 1.00 0.00 C ATOM 0 H LEU A 13 -1.969 -10.677 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.874 -8.795 0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.627 -10.411 0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.500 -11.754 0.361 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.873 -11.182 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.356 -9.680 3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.489 -8.815 2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.202 -9.249 2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.948 -12.059 3.713 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.816 -11.721 2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.512 -12.932 2.224 1.00 0.00 H new ATOM 165 N ARG A 14 0.073 -11.359 1.213 1.00 0.00 N ATOM 166 CA ARG A 14 1.273 -11.741 1.947 1.00 0.00 C ATOM 167 C ARG A 14 2.413 -10.766 1.670 1.00 0.00 C ATOM 168 O ARG A 14 3.060 -10.273 2.593 1.00 0.00 O ATOM 169 CB ARG A 14 1.698 -13.161 1.566 1.00 0.00 C ATOM 170 CG ARG A 14 1.047 -14.240 2.417 1.00 0.00 C ATOM 171 CD ARG A 14 1.623 -15.614 2.110 1.00 0.00 C ATOM 172 NE ARG A 14 2.774 -15.925 2.953 1.00 0.00 N ATOM 173 CZ ARG A 14 2.673 -16.315 4.220 1.00 0.00 C ATOM 174 NH1 ARG A 14 1.481 -16.442 4.785 1.00 0.00 N ATOM 175 NH2 ARG A 14 3.767 -16.582 4.922 1.00 0.00 N ATOM 0 H ARG A 14 -0.445 -12.142 0.815 1.00 0.00 H new ATOM 0 HA ARG A 14 1.043 -11.711 3.012 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.450 -13.337 0.519 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.781 -13.244 1.656 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.193 -14.010 3.472 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.028 -14.247 2.238 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.852 -16.371 2.255 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.919 -15.657 1.062 1.00 0.00 H new ATOM 0 HE ARG A 14 3.706 -15.838 2.548 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.638 -16.240 4.248 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.407 -16.741 5.757 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.686 -16.488 4.490 1.00 0.00 H new ATOM 0 HH22 ARG A 14 3.689 -16.881 5.894 1.00 0.00 H new ATOM 189 N TRP A 15 2.653 -10.493 0.391 1.00 0.00 N ATOM 190 CA TRP A 15 3.716 -9.578 -0.008 1.00 0.00 C ATOM 191 C TRP A 15 3.592 -8.247 0.726 1.00 0.00 C ATOM 192 O TRP A 15 4.570 -7.734 1.270 1.00 0.00 O ATOM 193 CB TRP A 15 3.678 -9.346 -1.519 1.00 0.00 C ATOM 194 CG TRP A 15 4.737 -8.403 -2.003 1.00 0.00 C ATOM 195 CD1 TRP A 15 6.076 -8.655 -2.098 1.00 0.00 C ATOM 196 CD2 TRP A 15 4.545 -7.059 -2.455 1.00 0.00 C ATOM 197 NE1 TRP A 15 6.728 -7.546 -2.583 1.00 0.00 N ATOM 198 CE2 TRP A 15 5.812 -6.555 -2.811 1.00 0.00 C ATOM 199 CE3 TRP A 15 3.427 -6.232 -2.597 1.00 0.00 C ATOM 200 CZ2 TRP A 15 5.988 -5.262 -3.296 1.00 0.00 C ATOM 201 CZ3 TRP A 15 3.605 -4.949 -3.079 1.00 0.00 C ATOM 202 CH2 TRP A 15 4.877 -4.474 -3.425 1.00 0.00 C ATOM 0 H TRP A 15 2.126 -10.892 -0.386 1.00 0.00 H new ATOM 0 HA TRP A 15 4.671 -10.032 0.259 1.00 0.00 H new ATOM 0 HB2 TRP A 15 3.793 -10.302 -2.029 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.699 -8.954 -1.794 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.552 -9.587 -1.832 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.732 -7.474 -2.746 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.442 -6.589 -2.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 6.968 -4.894 -3.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 2.748 -4.301 -3.191 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.982 -3.467 -3.801 1.00 0.00 H new ATOM 213 N CYS A 16 2.384 -7.693 0.738 1.00 0.00 N ATOM 214 CA CYS A 16 2.133 -6.421 1.404 1.00 0.00 C ATOM 215 C CYS A 16 2.418 -6.525 2.900 1.00 0.00 C ATOM 216 O CYS A 16 3.022 -5.629 3.489 1.00 0.00 O ATOM 217 CB CYS A 16 0.686 -5.980 1.180 1.00 0.00 C ATOM 218 SG CYS A 16 0.374 -5.280 -0.458 1.00 0.00 S ATOM 0 H CYS A 16 1.564 -8.105 0.294 1.00 0.00 H new ATOM 0 HA CYS A 16 2.803 -5.677 0.974 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.029 -6.837 1.328 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.421 -5.241 1.936 1.00 0.00 H new ATOM 0 HG CYS A 16 -0.302 -4.176 -0.337 1.00 0.00 H new ATOM 224 N GLN A 17 1.978 -7.623 3.506 1.00 0.00 N ATOM 225 CA GLN A 17 2.185 -7.843 4.932 1.00 0.00 C ATOM 226 C GLN A 17 3.652 -7.652 5.306 1.00 0.00 C ATOM 227 O GLN A 17 3.968 -7.013 6.308 1.00 0.00 O ATOM 228 CB GLN A 17 1.724 -9.247 5.326 1.00 0.00 C ATOM 229 CG GLN A 17 0.212 -9.395 5.392 1.00 0.00 C ATOM 230 CD GLN A 17 -0.221 -10.801 5.759 1.00 0.00 C ATOM 231 OE1 GLN A 17 0.510 -11.766 5.535 1.00 0.00 O ATOM 232 NE2 GLN A 17 -1.415 -10.923 6.326 1.00 0.00 N ATOM 0 H GLN A 17 1.476 -8.374 3.032 1.00 0.00 H new ATOM 0 HA GLN A 17 1.592 -7.108 5.476 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.120 -9.965 4.608 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.148 -9.500 6.298 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.186 -8.693 6.125 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.218 -9.127 4.427 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.987 -10.095 6.493 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.760 -11.844 6.595 1.00 0.00 H new ATOM 241 N GLU A 18 4.541 -8.212 4.492 1.00 0.00 N ATOM 242 CA GLU A 18 5.974 -8.106 4.740 1.00 0.00 C ATOM 243 C GLU A 18 6.442 -6.658 4.614 1.00 0.00 C ATOM 244 O GLU A 18 7.280 -6.198 5.387 1.00 0.00 O ATOM 245 CB GLU A 18 6.750 -8.989 3.761 1.00 0.00 C ATOM 246 CG GLU A 18 6.534 -10.477 3.982 1.00 0.00 C ATOM 247 CD GLU A 18 7.291 -11.004 5.186 1.00 0.00 C ATOM 248 OE1 GLU A 18 8.342 -10.423 5.528 1.00 0.00 O ATOM 249 OE2 GLU A 18 6.831 -11.998 5.785 1.00 0.00 O ATOM 0 H GLU A 18 4.295 -8.743 3.657 1.00 0.00 H new ATOM 0 HA GLU A 18 6.167 -8.446 5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.455 -8.735 2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.814 -8.768 3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.469 -10.670 4.114 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.849 -11.022 3.092 1.00 0.00 H new ATOM 256 N GLN A 19 5.891 -5.947 3.635 1.00 0.00 N ATOM 257 CA GLN A 19 6.252 -4.553 3.407 1.00 0.00 C ATOM 258 C GLN A 19 5.783 -3.675 4.562 1.00 0.00 C ATOM 259 O GLN A 19 6.589 -3.032 5.236 1.00 0.00 O ATOM 260 CB GLN A 19 5.647 -4.056 2.093 1.00 0.00 C ATOM 261 CG GLN A 19 6.151 -4.804 0.870 1.00 0.00 C ATOM 262 CD GLN A 19 7.657 -4.977 0.871 1.00 0.00 C ATOM 263 OE1 GLN A 19 8.405 -4.006 0.995 1.00 0.00 O ATOM 264 NE2 GLN A 19 8.111 -6.217 0.734 1.00 0.00 N ATOM 0 H GLN A 19 5.193 -6.313 2.987 1.00 0.00 H new ATOM 0 HA GLN A 19 7.338 -4.490 3.344 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.562 -4.149 2.144 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.871 -2.995 1.978 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.677 -5.784 0.827 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.852 -4.266 -0.029 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.455 -6.992 0.634 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.115 -6.395 0.729 1.00 0.00 H new ATOM 273 N THR A 20 4.472 -3.649 4.785 1.00 0.00 N ATOM 274 CA THR A 20 3.895 -2.848 5.858 1.00 0.00 C ATOM 275 C THR A 20 4.488 -3.229 7.209 1.00 0.00 C ATOM 276 O THR A 20 4.718 -2.371 8.060 1.00 0.00 O ATOM 277 CB THR A 20 2.364 -3.008 5.917 1.00 0.00 C ATOM 278 OG1 THR A 20 2.023 -4.386 6.116 1.00 0.00 O ATOM 279 CG2 THR A 20 1.716 -2.500 4.638 1.00 0.00 C ATOM 0 H THR A 20 3.790 -4.173 4.237 1.00 0.00 H new ATOM 0 HA THR A 20 4.136 -1.807 5.640 1.00 0.00 H new ATOM 0 HB THR A 20 1.991 -2.417 6.753 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.293 -4.907 5.331 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.635 -2.624 4.704 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.953 -1.445 4.504 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.095 -3.067 3.788 1.00 0.00 H new ATOM 287 N ALA A 21 4.733 -4.521 7.399 1.00 0.00 N ATOM 288 CA ALA A 21 5.302 -5.016 8.647 1.00 0.00 C ATOM 289 C ALA A 21 6.338 -4.044 9.201 1.00 0.00 C ATOM 290 O ALA A 21 7.082 -3.417 8.447 1.00 0.00 O ATOM 291 CB ALA A 21 5.923 -6.388 8.437 1.00 0.00 C ATOM 0 H ALA A 21 4.546 -5.244 6.705 1.00 0.00 H new ATOM 0 HA ALA A 21 4.496 -5.102 9.376 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.344 -6.745 9.377 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.158 -7.085 8.094 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.713 -6.319 7.689 1.00 0.00 H new ATOM 297 N GLY A 22 6.381 -3.922 10.524 1.00 0.00 N ATOM 298 CA GLY A 22 7.329 -3.023 11.156 1.00 0.00 C ATOM 299 C GLY A 22 6.679 -1.743 11.642 1.00 0.00 C ATOM 300 O GLY A 22 6.819 -1.371 12.808 1.00 0.00 O ATOM 0 H GLY A 22 5.776 -4.430 11.170 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.800 -3.530 11.998 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.121 -2.779 10.448 1.00 0.00 H new ATOM 304 N TYR A 23 5.969 -1.065 10.748 1.00 0.00 N ATOM 305 CA TYR A 23 5.299 0.183 11.090 1.00 0.00 C ATOM 306 C TYR A 23 4.431 0.012 12.334 1.00 0.00 C ATOM 307 O TYR A 23 3.586 -0.879 12.414 1.00 0.00 O ATOM 308 CB TYR A 23 4.440 0.664 9.919 1.00 0.00 C ATOM 309 CG TYR A 23 4.093 2.134 9.985 1.00 0.00 C ATOM 310 CD1 TYR A 23 3.496 2.676 11.117 1.00 0.00 C ATOM 311 CD2 TYR A 23 4.361 2.981 8.918 1.00 0.00 C ATOM 312 CE1 TYR A 23 3.176 4.017 11.184 1.00 0.00 C ATOM 313 CE2 TYR A 23 4.046 4.325 8.975 1.00 0.00 C ATOM 314 CZ TYR A 23 3.453 4.839 10.109 1.00 0.00 C ATOM 315 OH TYR A 23 3.137 6.176 10.171 1.00 0.00 O ATOM 0 H TYR A 23 5.843 -1.359 9.780 1.00 0.00 H new ATOM 0 HA TYR A 23 6.064 0.930 11.301 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.968 0.466 8.986 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.518 0.083 9.893 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.279 2.036 11.960 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.824 2.582 8.028 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.712 4.421 12.072 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.263 4.970 8.136 1.00 0.00 H new ATOM 0 HH TYR A 23 3.188 6.481 11.101 1.00 0.00 H new ATOM 325 N PRO A 24 4.645 0.888 13.326 1.00 0.00 N ATOM 326 CA PRO A 24 3.893 0.857 14.585 1.00 0.00 C ATOM 327 C PRO A 24 2.437 1.272 14.400 1.00 0.00 C ATOM 328 O PRO A 24 2.139 2.444 14.174 1.00 0.00 O ATOM 329 CB PRO A 24 4.630 1.869 15.464 1.00 0.00 C ATOM 330 CG PRO A 24 5.280 2.803 14.503 1.00 0.00 C ATOM 331 CD PRO A 24 5.637 1.976 13.298 1.00 0.00 C ATOM 0 HA PRO A 24 3.851 -0.146 15.010 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.941 2.396 16.124 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.367 1.378 16.099 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.606 3.616 14.233 1.00 0.00 H new ATOM 0 HG3 PRO A 24 6.168 3.258 14.941 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.571 2.557 12.378 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.656 1.593 13.361 1.00 0.00 H new ATOM 339 N GLY A 25 1.533 0.301 14.499 1.00 0.00 N ATOM 340 CA GLY A 25 0.118 0.587 14.341 1.00 0.00 C ATOM 341 C GLY A 25 -0.392 0.236 12.958 1.00 0.00 C ATOM 342 O GLY A 25 -1.361 0.825 12.478 1.00 0.00 O ATOM 0 H GLY A 25 1.755 -0.677 14.685 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.448 0.028 15.086 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.060 1.645 14.533 1.00 0.00 H new ATOM 346 N VAL A 26 0.262 -0.725 12.313 1.00 0.00 N ATOM 347 CA VAL A 26 -0.131 -1.153 10.975 1.00 0.00 C ATOM 348 C VAL A 26 -0.249 -2.671 10.898 1.00 0.00 C ATOM 349 O VAL A 26 0.743 -3.389 11.022 1.00 0.00 O ATOM 350 CB VAL A 26 0.875 -0.672 9.914 1.00 0.00 C ATOM 351 CG1 VAL A 26 0.578 -1.313 8.567 1.00 0.00 C ATOM 352 CG2 VAL A 26 0.853 0.845 9.807 1.00 0.00 C ATOM 0 H VAL A 26 1.066 -1.222 12.695 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.103 -0.705 10.771 1.00 0.00 H new ATOM 0 HB VAL A 26 1.875 -0.977 10.223 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.299 -0.961 7.830 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.650 -2.397 8.656 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.428 -1.041 8.249 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.570 1.167 9.052 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.146 1.175 9.522 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.119 1.282 10.770 1.00 0.00 H new ATOM 362 N HIS A 27 -1.471 -3.155 10.691 1.00 0.00 N ATOM 363 CA HIS A 27 -1.719 -4.589 10.595 1.00 0.00 C ATOM 364 C HIS A 27 -2.556 -4.913 9.361 1.00 0.00 C ATOM 365 O HIS A 27 -3.782 -4.802 9.385 1.00 0.00 O ATOM 366 CB HIS A 27 -2.427 -5.090 11.853 1.00 0.00 C ATOM 367 CG HIS A 27 -2.479 -6.584 11.956 1.00 0.00 C ATOM 368 ND1 HIS A 27 -2.176 -7.269 13.114 1.00 0.00 N ATOM 369 CD2 HIS A 27 -2.802 -7.524 11.038 1.00 0.00 C ATOM 370 CE1 HIS A 27 -2.310 -8.566 12.903 1.00 0.00 C ATOM 371 NE2 HIS A 27 -2.690 -8.747 11.651 1.00 0.00 N ATOM 0 H HIS A 27 -2.304 -2.575 10.587 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.758 -5.095 10.503 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.918 -4.691 12.730 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.444 -4.697 11.869 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -3.094 -7.345 10.014 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.138 -9.346 13.630 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -2.871 -9.649 11.211 1.00 0.00 H new ATOM 380 N VAL A 28 -1.886 -5.315 8.286 1.00 0.00 N ATOM 381 CA VAL A 28 -2.569 -5.656 7.043 1.00 0.00 C ATOM 382 C VAL A 28 -2.968 -7.127 7.021 1.00 0.00 C ATOM 383 O VAL A 28 -2.213 -7.978 6.550 1.00 0.00 O ATOM 384 CB VAL A 28 -1.687 -5.356 5.817 1.00 0.00 C ATOM 385 CG1 VAL A 28 -2.369 -5.823 4.541 1.00 0.00 C ATOM 386 CG2 VAL A 28 -1.362 -3.871 5.745 1.00 0.00 C ATOM 0 H VAL A 28 -0.871 -5.413 8.250 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.466 -5.039 6.995 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.751 -5.905 5.922 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.731 -5.602 3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.545 -6.897 4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.321 -5.305 4.427 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.738 -3.677 4.873 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.287 -3.300 5.664 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.828 -3.571 6.647 1.00 0.00 H new ATOM 396 N SER A 29 -4.159 -7.420 7.534 1.00 0.00 N ATOM 397 CA SER A 29 -4.656 -8.790 7.577 1.00 0.00 C ATOM 398 C SER A 29 -5.468 -9.112 6.326 1.00 0.00 C ATOM 399 O SER A 29 -5.763 -10.273 6.046 1.00 0.00 O ATOM 400 CB SER A 29 -5.515 -9.004 8.825 1.00 0.00 C ATOM 401 OG SER A 29 -5.757 -10.382 9.047 1.00 0.00 O ATOM 0 H SER A 29 -4.797 -6.727 7.925 1.00 0.00 H new ATOM 0 HA SER A 29 -3.798 -9.461 7.615 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.014 -8.575 9.693 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.463 -8.479 8.712 1.00 0.00 H new ATOM 0 HG SER A 29 -5.768 -10.855 8.189 1.00 0.00 H new ATOM 407 N ASP A 30 -5.825 -8.074 5.577 1.00 0.00 N ATOM 408 CA ASP A 30 -6.602 -8.244 4.355 1.00 0.00 C ATOM 409 C ASP A 30 -6.555 -6.981 3.500 1.00 0.00 C ATOM 410 O ASP A 30 -5.852 -6.024 3.827 1.00 0.00 O ATOM 411 CB ASP A 30 -8.053 -8.594 4.691 1.00 0.00 C ATOM 412 CG ASP A 30 -8.514 -7.964 5.991 1.00 0.00 C ATOM 413 OD1 ASP A 30 -8.620 -6.720 6.043 1.00 0.00 O ATOM 414 OD2 ASP A 30 -8.769 -8.713 6.956 1.00 0.00 O ATOM 0 H ASP A 30 -5.588 -7.106 5.795 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.162 -9.063 3.786 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.701 -8.262 3.880 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.156 -9.677 4.759 1.00 0.00 H new ATOM 419 N LEU A 31 -7.308 -6.986 2.406 1.00 0.00 N ATOM 420 CA LEU A 31 -7.352 -5.841 1.503 1.00 0.00 C ATOM 421 C LEU A 31 -8.758 -5.254 1.437 1.00 0.00 C ATOM 422 O LEU A 31 -9.139 -4.639 0.440 1.00 0.00 O ATOM 423 CB LEU A 31 -6.892 -6.252 0.104 1.00 0.00 C ATOM 424 CG LEU A 31 -5.390 -6.482 -0.069 1.00 0.00 C ATOM 425 CD1 LEU A 31 -4.932 -7.666 0.769 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.049 -6.700 -1.536 1.00 0.00 C ATOM 0 H LEU A 31 -7.896 -7.770 2.123 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.677 -5.078 1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.414 -7.168 -0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.205 -5.481 -0.600 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.863 -5.593 0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.861 -7.815 0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.141 -7.470 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.466 -8.563 0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.976 -6.862 -1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.586 -7.573 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.341 -5.822 -2.112 1.00 0.00 H new ATOM 438 N SER A 32 -9.525 -5.445 2.505 1.00 0.00 N ATOM 439 CA SER A 32 -10.890 -4.936 2.568 1.00 0.00 C ATOM 440 C SER A 32 -10.953 -3.648 3.383 1.00 0.00 C ATOM 441 O SER A 32 -11.296 -2.587 2.862 1.00 0.00 O ATOM 442 CB SER A 32 -11.821 -5.985 3.179 1.00 0.00 C ATOM 443 OG SER A 32 -13.159 -5.521 3.215 1.00 0.00 O ATOM 0 H SER A 32 -9.224 -5.949 3.339 1.00 0.00 H new ATOM 0 HA SER A 32 -11.217 -4.719 1.551 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.768 -6.906 2.598 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.489 -6.226 4.189 1.00 0.00 H new ATOM 0 HG SER A 32 -13.734 -6.210 3.608 1.00 0.00 H new ATOM 449 N SER A 33 -10.619 -3.751 4.666 1.00 0.00 N ATOM 450 CA SER A 33 -10.640 -2.595 5.555 1.00 0.00 C ATOM 451 C SER A 33 -9.280 -2.392 6.215 1.00 0.00 C ATOM 452 O SER A 33 -8.958 -1.297 6.676 1.00 0.00 O ATOM 453 CB SER A 33 -11.718 -2.770 6.627 1.00 0.00 C ATOM 454 OG SER A 33 -11.860 -1.594 7.403 1.00 0.00 O ATOM 0 H SER A 33 -10.331 -4.622 5.112 1.00 0.00 H new ATOM 0 HA SER A 33 -10.870 -1.713 4.958 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.669 -3.015 6.154 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.459 -3.608 7.274 1.00 0.00 H new ATOM 0 HG SER A 33 -12.556 -1.731 8.080 1.00 0.00 H new ATOM 460 N SER A 34 -8.483 -3.456 6.255 1.00 0.00 N ATOM 461 CA SER A 34 -7.159 -3.397 6.861 1.00 0.00 C ATOM 462 C SER A 34 -6.366 -2.212 6.318 1.00 0.00 C ATOM 463 O SER A 34 -5.427 -1.735 6.957 1.00 0.00 O ATOM 464 CB SER A 34 -6.396 -4.698 6.599 1.00 0.00 C ATOM 465 OG SER A 34 -6.630 -5.642 7.630 1.00 0.00 O ATOM 0 H SER A 34 -8.732 -4.369 5.875 1.00 0.00 H new ATOM 0 HA SER A 34 -7.284 -3.267 7.936 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.703 -5.117 5.641 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.329 -4.489 6.528 1.00 0.00 H new ATOM 0 HG SER A 34 -7.445 -6.149 7.431 1.00 0.00 H new ATOM 471 N TRP A 35 -6.750 -1.741 5.137 1.00 0.00 N ATOM 472 CA TRP A 35 -6.076 -0.612 4.508 1.00 0.00 C ATOM 473 C TRP A 35 -6.896 0.665 4.660 1.00 0.00 C ATOM 474 O TRP A 35 -6.351 1.769 4.643 1.00 0.00 O ATOM 475 CB TRP A 35 -5.828 -0.900 3.027 1.00 0.00 C ATOM 476 CG TRP A 35 -4.982 -2.115 2.792 1.00 0.00 C ATOM 477 CD1 TRP A 35 -5.334 -3.415 3.017 1.00 0.00 C ATOM 478 CD2 TRP A 35 -3.641 -2.141 2.288 1.00 0.00 C ATOM 479 NE1 TRP A 35 -4.293 -4.248 2.684 1.00 0.00 N ATOM 480 CE2 TRP A 35 -3.245 -3.491 2.233 1.00 0.00 C ATOM 481 CE3 TRP A 35 -2.740 -1.156 1.876 1.00 0.00 C ATOM 482 CZ2 TRP A 35 -1.984 -3.878 1.784 1.00 0.00 C ATOM 483 CZ3 TRP A 35 -1.490 -1.542 1.431 1.00 0.00 C ATOM 484 CH2 TRP A 35 -1.121 -2.893 1.387 1.00 0.00 C ATOM 0 H TRP A 35 -7.525 -2.124 4.596 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.118 -0.468 5.008 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -6.786 -1.030 2.524 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.344 -0.036 2.572 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.290 -3.741 3.400 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.300 -5.265 2.760 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.015 -0.112 1.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.698 -4.919 1.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.785 -0.789 1.111 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.137 -3.162 1.033 1.00 0.00 H new ATOM 495 N ALA A 36 -8.207 0.507 4.808 1.00 0.00 N ATOM 496 CA ALA A 36 -9.101 1.648 4.966 1.00 0.00 C ATOM 497 C ALA A 36 -8.497 2.694 5.895 1.00 0.00 C ATOM 498 O ALA A 36 -8.512 3.888 5.595 1.00 0.00 O ATOM 499 CB ALA A 36 -10.453 1.190 5.491 1.00 0.00 C ATOM 0 H ALA A 36 -8.674 -0.400 4.822 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.240 2.107 3.987 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.110 2.052 5.604 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.897 0.485 4.788 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.322 0.704 6.458 1.00 0.00 H new ATOM 505 N ASP A 37 -7.967 2.240 7.025 1.00 0.00 N ATOM 506 CA ASP A 37 -7.357 3.138 8.000 1.00 0.00 C ATOM 507 C ASP A 37 -6.551 4.229 7.303 1.00 0.00 C ATOM 508 O ASP A 37 -6.641 5.404 7.658 1.00 0.00 O ATOM 509 CB ASP A 37 -6.457 2.353 8.955 1.00 0.00 C ATOM 510 CG ASP A 37 -7.091 1.053 9.412 1.00 0.00 C ATOM 511 OD1 ASP A 37 -8.240 1.094 9.901 1.00 0.00 O ATOM 512 OD2 ASP A 37 -6.438 -0.003 9.281 1.00 0.00 O ATOM 0 H ASP A 37 -7.947 1.255 7.289 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.156 3.610 8.572 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.509 2.138 8.462 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.231 2.969 9.825 1.00 0.00 H new ATOM 517 N GLY A 38 -5.762 3.832 6.308 1.00 0.00 N ATOM 518 CA GLY A 38 -4.951 4.789 5.579 1.00 0.00 C ATOM 519 C GLY A 38 -3.466 4.545 5.758 1.00 0.00 C ATOM 520 O GLY A 38 -2.695 4.630 4.801 1.00 0.00 O ATOM 0 H GLY A 38 -5.671 2.866 5.995 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.199 4.738 4.519 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.194 5.797 5.915 1.00 0.00 H new ATOM 524 N LEU A 39 -3.062 4.241 6.986 1.00 0.00 N ATOM 525 CA LEU A 39 -1.657 3.985 7.288 1.00 0.00 C ATOM 526 C LEU A 39 -1.101 2.879 6.397 1.00 0.00 C ATOM 527 O LEU A 39 -0.019 3.012 5.828 1.00 0.00 O ATOM 528 CB LEU A 39 -1.493 3.601 8.760 1.00 0.00 C ATOM 529 CG LEU A 39 -1.251 4.756 9.732 1.00 0.00 C ATOM 530 CD1 LEU A 39 -1.427 4.291 11.168 1.00 0.00 C ATOM 531 CD2 LEU A 39 0.139 5.343 9.526 1.00 0.00 C ATOM 0 H LEU A 39 -3.686 4.166 7.789 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.097 4.899 7.093 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.389 3.067 9.077 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.660 2.903 8.842 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.987 5.535 9.532 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.251 5.127 11.845 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.442 3.918 11.308 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.715 3.494 11.382 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.295 6.164 10.226 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.889 4.571 9.699 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.229 5.714 8.505 1.00 0.00 H new ATOM 543 N ALA A 40 -1.850 1.787 6.281 1.00 0.00 N ATOM 544 CA ALA A 40 -1.435 0.660 5.456 1.00 0.00 C ATOM 545 C ALA A 40 -0.662 1.133 4.229 1.00 0.00 C ATOM 546 O ALA A 40 0.504 0.781 4.044 1.00 0.00 O ATOM 547 CB ALA A 40 -2.645 -0.161 5.036 1.00 0.00 C ATOM 0 H ALA A 40 -2.748 1.659 6.748 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.772 0.031 6.050 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.320 -1.000 4.420 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.154 -0.538 5.923 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.329 0.466 4.464 1.00 0.00 H new ATOM 553 N LEU A 41 -1.318 1.930 3.394 1.00 0.00 N ATOM 554 CA LEU A 41 -0.693 2.449 2.182 1.00 0.00 C ATOM 555 C LEU A 41 0.597 3.195 2.513 1.00 0.00 C ATOM 556 O LEU A 41 1.593 3.076 1.800 1.00 0.00 O ATOM 557 CB LEU A 41 -1.658 3.380 1.446 1.00 0.00 C ATOM 558 CG LEU A 41 -2.566 2.720 0.407 1.00 0.00 C ATOM 559 CD1 LEU A 41 -3.855 3.510 0.246 1.00 0.00 C ATOM 560 CD2 LEU A 41 -1.845 2.593 -0.927 1.00 0.00 C ATOM 0 H LEU A 41 -2.282 2.231 3.533 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.449 1.605 1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.286 3.877 2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.075 4.156 0.949 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.819 1.719 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.488 3.025 -0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.380 3.548 1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.622 4.523 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.506 2.121 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.561 3.583 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.950 1.983 -0.801 1.00 0.00 H new ATOM 572 N CYS A 42 0.571 3.958 3.599 1.00 0.00 N ATOM 573 CA CYS A 42 1.738 4.721 4.025 1.00 0.00 C ATOM 574 C CYS A 42 2.919 3.797 4.307 1.00 0.00 C ATOM 575 O CYS A 42 3.999 3.964 3.743 1.00 0.00 O ATOM 576 CB CYS A 42 1.409 5.543 5.273 1.00 0.00 C ATOM 577 SG CYS A 42 -0.158 6.438 5.175 1.00 0.00 S ATOM 0 H CYS A 42 -0.246 4.065 4.201 1.00 0.00 H new ATOM 0 HA CYS A 42 2.014 5.397 3.216 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.382 4.878 6.136 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.213 6.258 5.447 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.134 5.590 5.040 1.00 0.00 H new ATOM 583 N ALA A 43 2.704 2.823 5.185 1.00 0.00 N ATOM 584 CA ALA A 43 3.749 1.871 5.542 1.00 0.00 C ATOM 585 C ALA A 43 4.329 1.202 4.300 1.00 0.00 C ATOM 586 O ALA A 43 5.542 1.022 4.188 1.00 0.00 O ATOM 587 CB ALA A 43 3.204 0.824 6.502 1.00 0.00 C ATOM 0 H ALA A 43 1.815 2.672 5.662 1.00 0.00 H new ATOM 0 HA ALA A 43 4.551 2.418 6.037 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.995 0.120 6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.844 1.313 7.407 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.382 0.288 6.028 1.00 0.00 H new ATOM 593 N LEU A 44 3.455 0.835 3.370 1.00 0.00 N ATOM 594 CA LEU A 44 3.881 0.184 2.134 1.00 0.00 C ATOM 595 C LEU A 44 4.783 1.103 1.317 1.00 0.00 C ATOM 596 O LEU A 44 5.793 0.669 0.765 1.00 0.00 O ATOM 597 CB LEU A 44 2.663 -0.225 1.304 1.00 0.00 C ATOM 598 CG LEU A 44 2.946 -0.650 -0.137 1.00 0.00 C ATOM 599 CD1 LEU A 44 3.580 -2.032 -0.171 1.00 0.00 C ATOM 600 CD2 LEU A 44 1.665 -0.627 -0.960 1.00 0.00 C ATOM 0 H LEU A 44 2.448 0.976 3.447 1.00 0.00 H new ATOM 0 HA LEU A 44 4.448 -0.708 2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.161 -1.048 1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.964 0.611 1.285 1.00 0.00 H new ATOM 0 HG LEU A 44 3.648 0.059 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.774 -2.318 -1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.518 -2.016 0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.902 -2.754 0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.884 -0.932 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.940 -1.314 -0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.252 0.382 -0.963 1.00 0.00 H new ATOM 612 N VAL A 45 4.412 2.378 1.247 1.00 0.00 N ATOM 613 CA VAL A 45 5.189 3.361 0.500 1.00 0.00 C ATOM 614 C VAL A 45 6.496 3.685 1.214 1.00 0.00 C ATOM 615 O VAL A 45 7.581 3.468 0.675 1.00 0.00 O ATOM 616 CB VAL A 45 4.394 4.662 0.290 1.00 0.00 C ATOM 617 CG1 VAL A 45 5.243 5.695 -0.435 1.00 0.00 C ATOM 618 CG2 VAL A 45 3.108 4.384 -0.475 1.00 0.00 C ATOM 0 H VAL A 45 3.578 2.754 1.698 1.00 0.00 H new ATOM 0 HA VAL A 45 5.410 2.919 -0.472 1.00 0.00 H new ATOM 0 HB VAL A 45 4.128 5.066 1.267 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.664 6.608 -0.575 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.132 5.915 0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.542 5.303 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.559 5.315 -0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.349 3.956 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.494 3.682 0.089 1.00 0.00 H new ATOM 628 N TYR A 46 6.385 4.206 2.431 1.00 0.00 N ATOM 629 CA TYR A 46 7.558 4.563 3.220 1.00 0.00 C ATOM 630 C TYR A 46 8.568 3.419 3.242 1.00 0.00 C ATOM 631 O TYR A 46 9.766 3.632 3.058 1.00 0.00 O ATOM 632 CB TYR A 46 7.148 4.924 4.649 1.00 0.00 C ATOM 633 CG TYR A 46 6.555 6.309 4.777 1.00 0.00 C ATOM 634 CD1 TYR A 46 7.355 7.441 4.671 1.00 0.00 C ATOM 635 CD2 TYR A 46 5.197 6.486 5.006 1.00 0.00 C ATOM 636 CE1 TYR A 46 6.817 8.707 4.788 1.00 0.00 C ATOM 637 CE2 TYR A 46 4.650 7.750 5.124 1.00 0.00 C ATOM 638 CZ TYR A 46 5.465 8.857 5.014 1.00 0.00 C ATOM 639 OH TYR A 46 4.926 10.118 5.131 1.00 0.00 O ATOM 0 H TYR A 46 5.494 4.391 2.893 1.00 0.00 H new ATOM 0 HA TYR A 46 8.027 5.430 2.755 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.422 4.193 5.006 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.021 4.850 5.298 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.414 7.328 4.494 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.557 5.621 5.093 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.452 9.576 4.703 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.591 7.870 5.301 1.00 0.00 H new ATOM 0 HH TYR A 46 4.326 10.289 4.375 1.00 0.00 H new ATOM 649 N ARG A 47 8.074 2.207 3.468 1.00 0.00 N ATOM 650 CA ARG A 47 8.932 1.029 3.515 1.00 0.00 C ATOM 651 C ARG A 47 9.564 0.762 2.152 1.00 0.00 C ATOM 652 O ARG A 47 10.788 0.767 2.011 1.00 0.00 O ATOM 653 CB ARG A 47 8.131 -0.194 3.966 1.00 0.00 C ATOM 654 CG ARG A 47 8.997 -1.334 4.477 1.00 0.00 C ATOM 655 CD ARG A 47 9.336 -1.159 5.950 1.00 0.00 C ATOM 656 NE ARG A 47 10.433 -0.215 6.150 1.00 0.00 N ATOM 657 CZ ARG A 47 10.687 0.381 7.310 1.00 0.00 C ATOM 658 NH1 ARG A 47 9.926 0.132 8.367 1.00 0.00 N ATOM 659 NH2 ARG A 47 11.703 1.226 7.414 1.00 0.00 N ATOM 0 H ARG A 47 7.084 2.014 3.621 1.00 0.00 H new ATOM 0 HA ARG A 47 9.728 1.219 4.235 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.438 0.106 4.752 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.529 -0.552 3.131 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.477 -2.281 4.332 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.917 -1.383 3.894 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.454 -0.809 6.486 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.606 -2.125 6.377 1.00 0.00 H new ATOM 0 HE ARG A 47 11.037 -0.002 5.356 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.144 -0.518 8.291 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.123 0.591 9.257 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.291 1.419 6.603 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.897 1.683 8.305 1.00 0.00 H new ATOM 673 N LEU A 48 8.723 0.530 1.151 1.00 0.00 N ATOM 674 CA LEU A 48 9.198 0.260 -0.202 1.00 0.00 C ATOM 675 C LEU A 48 10.446 1.080 -0.513 1.00 0.00 C ATOM 676 O LEU A 48 11.444 0.547 -0.998 1.00 0.00 O ATOM 677 CB LEU A 48 8.101 0.572 -1.220 1.00 0.00 C ATOM 678 CG LEU A 48 7.145 -0.575 -1.551 1.00 0.00 C ATOM 679 CD1 LEU A 48 5.994 -0.080 -2.413 1.00 0.00 C ATOM 680 CD2 LEU A 48 7.888 -1.705 -2.247 1.00 0.00 C ATOM 0 H LEU A 48 7.708 0.523 1.250 1.00 0.00 H new ATOM 0 HA LEU A 48 9.455 -0.797 -0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.514 1.411 -0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.575 0.902 -2.145 1.00 0.00 H new ATOM 0 HG LEU A 48 6.733 -0.959 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.325 -0.910 -2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.445 0.694 -1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.387 0.332 -3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.192 -2.512 -2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.329 -1.335 -3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.676 -2.079 -1.593 1.00 0.00 H new ATOM 692 N GLN A 49 10.382 2.376 -0.230 1.00 0.00 N ATOM 693 CA GLN A 49 11.508 3.269 -0.480 1.00 0.00 C ATOM 694 C GLN A 49 11.908 4.009 0.793 1.00 0.00 C ATOM 695 O GLN A 49 11.287 4.998 1.185 1.00 0.00 O ATOM 696 CB GLN A 49 11.157 4.273 -1.579 1.00 0.00 C ATOM 697 CG GLN A 49 12.362 4.760 -2.365 1.00 0.00 C ATOM 698 CD GLN A 49 12.028 5.912 -3.292 1.00 0.00 C ATOM 699 OE1 GLN A 49 11.626 5.706 -4.438 1.00 0.00 O ATOM 700 NE2 GLN A 49 12.193 7.135 -2.800 1.00 0.00 N ATOM 0 H GLN A 49 9.563 2.832 0.172 1.00 0.00 H new ATOM 0 HA GLN A 49 12.353 2.664 -0.808 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.447 3.813 -2.266 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.656 5.130 -1.130 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.142 5.072 -1.670 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.768 3.934 -2.950 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.528 7.259 -1.845 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.984 7.949 -3.377 1.00 0.00 H new ATOM 709 N PRO A 50 12.968 3.522 1.454 1.00 0.00 N ATOM 710 CA PRO A 50 13.474 4.122 2.691 1.00 0.00 C ATOM 711 C PRO A 50 14.123 5.482 2.453 1.00 0.00 C ATOM 712 O PRO A 50 14.479 6.186 3.397 1.00 0.00 O ATOM 713 CB PRO A 50 14.515 3.111 3.177 1.00 0.00 C ATOM 714 CG PRO A 50 14.957 2.401 1.944 1.00 0.00 C ATOM 715 CD PRO A 50 13.755 2.348 1.043 1.00 0.00 C ATOM 0 HA PRO A 50 12.675 4.310 3.408 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.351 3.609 3.669 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.086 2.418 3.901 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.781 2.929 1.464 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.314 1.398 2.178 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.038 2.402 -0.008 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.195 1.422 1.175 1.00 0.00 H new ATOM 723 N GLY A 51 14.275 5.845 1.182 1.00 0.00 N ATOM 724 CA GLY A 51 14.883 7.119 0.843 1.00 0.00 C ATOM 725 C GLY A 51 13.933 8.284 1.041 1.00 0.00 C ATOM 726 O GLY A 51 14.360 9.395 1.361 1.00 0.00 O ATOM 0 H GLY A 51 13.988 5.280 0.382 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.771 7.269 1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.214 7.096 -0.195 1.00 0.00 H new ATOM 730 N LEU A 52 12.643 8.033 0.849 1.00 0.00 N ATOM 731 CA LEU A 52 11.629 9.071 1.007 1.00 0.00 C ATOM 732 C LEU A 52 11.461 9.449 2.475 1.00 0.00 C ATOM 733 O LEU A 52 11.699 8.635 3.368 1.00 0.00 O ATOM 734 CB LEU A 52 10.293 8.598 0.433 1.00 0.00 C ATOM 735 CG LEU A 52 10.074 8.855 -1.058 1.00 0.00 C ATOM 736 CD1 LEU A 52 9.200 7.768 -1.665 1.00 0.00 C ATOM 737 CD2 LEU A 52 9.452 10.226 -1.277 1.00 0.00 C ATOM 0 H LEU A 52 12.274 7.120 0.584 1.00 0.00 H new ATOM 0 HA LEU A 52 11.959 9.954 0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.202 7.527 0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.490 9.084 0.987 1.00 0.00 H new ATOM 0 HG LEU A 52 11.043 8.834 -1.557 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.055 7.968 -2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.685 6.800 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.233 7.756 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.303 10.392 -2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.491 10.276 -0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.115 10.994 -0.879 1.00 0.00 H new ATOM 749 N LEU A 53 11.046 10.686 2.718 1.00 0.00 N ATOM 750 CA LEU A 53 10.842 11.172 4.078 1.00 0.00 C ATOM 751 C LEU A 53 10.095 10.142 4.919 1.00 0.00 C ATOM 752 O LEU A 53 9.583 9.153 4.394 1.00 0.00 O ATOM 753 CB LEU A 53 10.066 12.490 4.060 1.00 0.00 C ATOM 754 CG LEU A 53 8.616 12.409 3.582 1.00 0.00 C ATOM 755 CD1 LEU A 53 8.482 11.400 2.453 1.00 0.00 C ATOM 756 CD2 LEU A 53 7.693 12.046 4.737 1.00 0.00 C ATOM 0 H LEU A 53 10.844 11.372 1.991 1.00 0.00 H new ATOM 0 HA LEU A 53 11.821 11.340 4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.073 12.906 5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.599 13.194 3.421 1.00 0.00 H new ATOM 0 HG LEU A 53 8.323 13.388 3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.443 11.356 2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.113 11.703 1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.793 10.417 2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.665 11.993 4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.985 11.079 5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.767 12.806 5.515 1.00 0.00 H new ATOM 768 N GLU A 54 10.036 10.380 6.225 1.00 0.00 N ATOM 769 CA GLU A 54 9.350 9.472 7.137 1.00 0.00 C ATOM 770 C GLU A 54 8.063 10.100 7.663 1.00 0.00 C ATOM 771 O GLU A 54 7.916 11.321 7.721 1.00 0.00 O ATOM 772 CB GLU A 54 10.264 9.101 8.306 1.00 0.00 C ATOM 773 CG GLU A 54 10.851 10.303 9.027 1.00 0.00 C ATOM 774 CD GLU A 54 11.813 9.910 10.131 1.00 0.00 C ATOM 775 OE1 GLU A 54 11.799 8.730 10.538 1.00 0.00 O ATOM 776 OE2 GLU A 54 12.581 10.783 10.586 1.00 0.00 O ATOM 0 H GLU A 54 10.455 11.194 6.676 1.00 0.00 H new ATOM 0 HA GLU A 54 9.094 8.568 6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.701 8.500 9.020 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.078 8.477 7.936 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.370 10.936 8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.042 10.898 9.450 1.00 0.00 H new ATOM 783 N PRO A 55 7.106 9.246 8.058 1.00 0.00 N ATOM 784 CA PRO A 55 5.815 9.694 8.587 1.00 0.00 C ATOM 785 C PRO A 55 5.943 10.338 9.963 1.00 0.00 C ATOM 786 O PRO A 55 5.840 9.663 10.987 1.00 0.00 O ATOM 787 CB PRO A 55 5.001 8.400 8.677 1.00 0.00 C ATOM 788 CG PRO A 55 6.019 7.321 8.809 1.00 0.00 C ATOM 789 CD PRO A 55 7.214 7.778 8.019 1.00 0.00 C ATOM 0 HA PRO A 55 5.360 10.458 7.957 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.327 8.415 9.533 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.385 8.257 7.789 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.282 7.158 9.854 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.637 6.375 8.426 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.147 7.432 8.464 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.189 7.400 6.997 1.00 0.00 H new ATOM 797 N SER A 56 6.171 11.648 9.979 1.00 0.00 N ATOM 798 CA SER A 56 6.317 12.383 11.230 1.00 0.00 C ATOM 799 C SER A 56 4.978 12.958 11.682 1.00 0.00 C ATOM 800 O SER A 56 4.723 13.101 12.877 1.00 0.00 O ATOM 801 CB SER A 56 7.341 13.508 11.068 1.00 0.00 C ATOM 802 OG SER A 56 7.368 14.342 12.214 1.00 0.00 O ATOM 0 H SER A 56 6.259 12.222 9.140 1.00 0.00 H new ATOM 0 HA SER A 56 6.669 11.688 11.992 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.330 13.082 10.901 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.097 14.102 10.187 1.00 0.00 H new ATOM 0 HG SER A 56 8.031 15.052 12.086 1.00 0.00 H new ATOM 808 N GLU A 57 4.126 13.288 10.715 1.00 0.00 N ATOM 809 CA GLU A 57 2.814 13.849 11.013 1.00 0.00 C ATOM 810 C GLU A 57 1.729 12.779 10.914 1.00 0.00 C ATOM 811 O GLU A 57 0.780 12.768 11.699 1.00 0.00 O ATOM 812 CB GLU A 57 2.498 15.000 10.057 1.00 0.00 C ATOM 813 CG GLU A 57 3.580 16.067 10.011 1.00 0.00 C ATOM 814 CD GLU A 57 3.575 16.957 11.239 1.00 0.00 C ATOM 815 OE1 GLU A 57 3.655 16.416 12.362 1.00 0.00 O ATOM 816 OE2 GLU A 57 3.491 18.192 11.078 1.00 0.00 O ATOM 0 H GLU A 57 4.321 13.176 9.720 1.00 0.00 H new ATOM 0 HA GLU A 57 2.834 14.229 12.034 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.352 14.599 9.054 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.557 15.461 10.356 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.554 15.587 9.919 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.442 16.681 9.121 1.00 0.00 H new ATOM 823 N LEU A 58 1.878 11.884 9.946 1.00 0.00 N ATOM 824 CA LEU A 58 0.912 10.810 9.743 1.00 0.00 C ATOM 825 C LEU A 58 0.659 10.052 11.042 1.00 0.00 C ATOM 826 O LEU A 58 -0.410 9.472 11.235 1.00 0.00 O ATOM 827 CB LEU A 58 1.412 9.844 8.666 1.00 0.00 C ATOM 828 CG LEU A 58 1.074 10.216 7.222 1.00 0.00 C ATOM 829 CD1 LEU A 58 1.803 11.487 6.814 1.00 0.00 C ATOM 830 CD2 LEU A 58 1.423 9.073 6.281 1.00 0.00 C ATOM 0 H LEU A 58 2.658 11.880 9.289 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.027 11.257 9.415 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.495 9.761 8.755 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.999 8.856 8.872 1.00 0.00 H new ATOM 0 HG LEU A 58 0.002 10.399 7.156 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.550 11.736 5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.503 12.305 7.469 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.879 11.332 6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.176 9.356 5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.489 8.857 6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.855 8.186 6.560 1.00 0.00 H new ATOM 842 N GLN A 59 1.647 10.064 11.930 1.00 0.00 N ATOM 843 CA GLN A 59 1.529 9.380 13.213 1.00 0.00 C ATOM 844 C GLN A 59 0.195 9.697 13.879 1.00 0.00 C ATOM 845 O GLN A 59 -0.420 8.834 14.505 1.00 0.00 O ATOM 846 CB GLN A 59 2.682 9.779 14.136 1.00 0.00 C ATOM 847 CG GLN A 59 3.963 9.001 13.881 1.00 0.00 C ATOM 848 CD GLN A 59 4.907 9.028 15.068 1.00 0.00 C ATOM 849 OE1 GLN A 59 5.000 8.061 15.824 1.00 0.00 O ATOM 850 NE2 GLN A 59 5.615 10.139 15.236 1.00 0.00 N ATOM 0 H GLN A 59 2.538 10.539 11.785 1.00 0.00 H new ATOM 0 HA GLN A 59 1.575 8.307 13.029 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.883 10.843 14.014 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.376 9.629 15.171 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.714 7.967 13.642 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.469 9.416 13.009 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.506 10.916 14.585 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.268 10.215 16.016 1.00 0.00 H new ATOM 859 N GLY A 60 -0.249 10.943 13.740 1.00 0.00 N ATOM 860 CA GLY A 60 -1.507 11.353 14.336 1.00 0.00 C ATOM 861 C GLY A 60 -2.395 12.098 13.358 1.00 0.00 C ATOM 862 O GLY A 60 -2.876 13.193 13.656 1.00 0.00 O ATOM 0 H GLY A 60 0.240 11.675 13.225 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.035 10.473 14.704 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.307 11.989 15.198 1.00 0.00 H new ATOM 866 N LEU A 61 -2.611 11.507 12.189 1.00 0.00 N ATOM 867 CA LEU A 61 -3.446 12.123 11.163 1.00 0.00 C ATOM 868 C LEU A 61 -4.755 11.358 10.994 1.00 0.00 C ATOM 869 O LEU A 61 -4.888 10.227 11.458 1.00 0.00 O ATOM 870 CB LEU A 61 -2.696 12.176 9.831 1.00 0.00 C ATOM 871 CG LEU A 61 -1.776 13.379 9.625 1.00 0.00 C ATOM 872 CD1 LEU A 61 -0.957 13.214 8.355 1.00 0.00 C ATOM 873 CD2 LEU A 61 -2.586 14.667 9.577 1.00 0.00 C ATOM 0 H LEU A 61 -2.220 10.602 11.927 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.680 13.139 11.481 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.100 11.268 9.736 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.429 12.162 9.024 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.089 13.436 10.470 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.308 14.080 8.225 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.349 12.313 8.429 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.626 13.131 7.499 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.915 15.513 9.430 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.297 14.619 8.752 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.127 14.792 10.515 1.00 0.00 H new ATOM 885 N GLY A 62 -5.717 11.983 10.322 1.00 0.00 N ATOM 886 CA GLY A 62 -7.002 11.346 10.101 1.00 0.00 C ATOM 887 C GLY A 62 -6.909 10.170 9.150 1.00 0.00 C ATOM 888 O GLY A 62 -6.112 10.183 8.212 1.00 0.00 O ATOM 0 H GLY A 62 -5.629 12.919 9.927 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.405 11.007 11.055 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.703 12.078 9.701 1.00 0.00 H new ATOM 892 N ALA A 63 -7.725 9.149 9.392 1.00 0.00 N ATOM 893 CA ALA A 63 -7.731 7.959 8.549 1.00 0.00 C ATOM 894 C ALA A 63 -7.557 8.327 7.079 1.00 0.00 C ATOM 895 O ALA A 63 -7.007 7.552 6.296 1.00 0.00 O ATOM 896 CB ALA A 63 -9.021 7.177 8.750 1.00 0.00 C ATOM 0 H ALA A 63 -8.390 9.122 10.165 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.889 7.332 8.842 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.012 6.291 8.115 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.104 6.874 9.794 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.872 7.805 8.486 1.00 0.00 H new ATOM 902 N LEU A 64 -8.030 9.513 6.711 1.00 0.00 N ATOM 903 CA LEU A 64 -7.927 9.984 5.334 1.00 0.00 C ATOM 904 C LEU A 64 -6.608 10.715 5.106 1.00 0.00 C ATOM 905 O LEU A 64 -5.838 10.361 4.214 1.00 0.00 O ATOM 906 CB LEU A 64 -9.101 10.907 5.001 1.00 0.00 C ATOM 907 CG LEU A 64 -9.566 10.902 3.545 1.00 0.00 C ATOM 908 CD1 LEU A 64 -9.973 9.500 3.120 1.00 0.00 C ATOM 909 CD2 LEU A 64 -10.720 11.876 3.351 1.00 0.00 C ATOM 0 H LEU A 64 -8.488 10.166 7.347 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.958 9.116 4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.945 10.630 5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.823 11.926 5.269 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.735 11.223 2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.301 9.516 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.121 8.827 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.789 9.150 3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.039 11.860 2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.554 11.584 3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.395 12.882 3.615 1.00 0.00 H new ATOM 921 N GLU A 65 -6.355 11.737 5.919 1.00 0.00 N ATOM 922 CA GLU A 65 -5.128 12.516 5.805 1.00 0.00 C ATOM 923 C GLU A 65 -3.953 11.628 5.408 1.00 0.00 C ATOM 924 O GLU A 65 -3.140 11.996 4.561 1.00 0.00 O ATOM 925 CB GLU A 65 -4.823 13.224 7.127 1.00 0.00 C ATOM 926 CG GLU A 65 -5.582 14.527 7.309 1.00 0.00 C ATOM 927 CD GLU A 65 -4.994 15.663 6.494 1.00 0.00 C ATOM 928 OE1 GLU A 65 -4.982 15.555 5.249 1.00 0.00 O ATOM 929 OE2 GLU A 65 -4.547 16.659 7.100 1.00 0.00 O ATOM 0 H GLU A 65 -6.983 12.044 6.662 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.274 13.264 5.025 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.065 12.554 7.952 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.753 13.426 7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.623 14.380 7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.578 14.801 8.364 1.00 0.00 H new ATOM 936 N ALA A 66 -3.871 10.454 6.027 1.00 0.00 N ATOM 937 CA ALA A 66 -2.797 9.512 5.738 1.00 0.00 C ATOM 938 C ALA A 66 -2.814 9.094 4.271 1.00 0.00 C ATOM 939 O ALA A 66 -1.942 9.484 3.493 1.00 0.00 O ATOM 940 CB ALA A 66 -2.911 8.290 6.638 1.00 0.00 C ATOM 0 H ALA A 66 -4.535 10.133 6.731 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.847 10.009 5.937 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.103 7.595 6.412 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.843 8.599 7.681 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.870 7.800 6.467 1.00 0.00 H new ATOM 946 N THR A 67 -3.810 8.298 3.898 1.00 0.00 N ATOM 947 CA THR A 67 -3.938 7.825 2.526 1.00 0.00 C ATOM 948 C THR A 67 -3.563 8.918 1.530 1.00 0.00 C ATOM 949 O THR A 67 -2.974 8.644 0.486 1.00 0.00 O ATOM 950 CB THR A 67 -5.372 7.347 2.228 1.00 0.00 C ATOM 951 OG1 THR A 67 -5.825 6.476 3.270 1.00 0.00 O ATOM 952 CG2 THR A 67 -5.433 6.622 0.892 1.00 0.00 C ATOM 0 H THR A 67 -4.541 7.967 4.528 1.00 0.00 H new ATOM 0 HA THR A 67 -3.252 6.985 2.416 1.00 0.00 H new ATOM 0 HB THR A 67 -6.020 8.222 2.179 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.191 5.657 2.876 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.455 6.294 0.703 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.115 7.297 0.097 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.772 5.755 0.918 1.00 0.00 H new ATOM 960 N ALA A 68 -3.907 10.158 1.863 1.00 0.00 N ATOM 961 CA ALA A 68 -3.604 11.292 0.999 1.00 0.00 C ATOM 962 C ALA A 68 -2.129 11.307 0.611 1.00 0.00 C ATOM 963 O ALA A 68 -1.790 11.335 -0.573 1.00 0.00 O ATOM 964 CB ALA A 68 -3.982 12.595 1.688 1.00 0.00 C ATOM 0 H ALA A 68 -4.395 10.402 2.724 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.193 11.190 0.087 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.750 13.434 1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.049 12.592 1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.418 12.693 2.615 1.00 0.00 H new ATOM 970 N TRP A 69 -1.258 11.288 1.613 1.00 0.00 N ATOM 971 CA TRP A 69 0.182 11.299 1.375 1.00 0.00 C ATOM 972 C TRP A 69 0.604 10.101 0.532 1.00 0.00 C ATOM 973 O TRP A 69 1.190 10.259 -0.538 1.00 0.00 O ATOM 974 CB TRP A 69 0.939 11.296 2.703 1.00 0.00 C ATOM 975 CG TRP A 69 2.421 11.142 2.542 1.00 0.00 C ATOM 976 CD1 TRP A 69 3.337 12.142 2.384 1.00 0.00 C ATOM 977 CD2 TRP A 69 3.157 9.914 2.520 1.00 0.00 C ATOM 978 NE1 TRP A 69 4.599 11.609 2.267 1.00 0.00 N ATOM 979 CE2 TRP A 69 4.515 10.245 2.347 1.00 0.00 C ATOM 980 CE3 TRP A 69 2.801 8.566 2.631 1.00 0.00 C ATOM 981 CZ2 TRP A 69 5.514 9.277 2.282 1.00 0.00 C ATOM 982 CZ3 TRP A 69 3.794 7.608 2.567 1.00 0.00 C ATOM 983 CH2 TRP A 69 5.137 7.967 2.394 1.00 0.00 C ATOM 0 H TRP A 69 -1.523 11.265 2.598 1.00 0.00 H new ATOM 0 HA TRP A 69 0.427 12.209 0.827 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.733 12.226 3.232 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.562 10.485 3.326 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.105 13.196 2.355 1.00 0.00 H new ATOM 0 HE1 TRP A 69 5.459 12.143 2.141 1.00 0.00 H new ATOM 0 HE3 TRP A 69 1.768 8.279 2.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.550 9.551 2.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.530 6.564 2.652 1.00 0.00 H new ATOM 0 HH2 TRP A 69 5.890 7.194 2.348 1.00 0.00 H new ATOM 994 N ALA A 70 0.301 8.903 1.022 1.00 0.00 N ATOM 995 CA ALA A 70 0.647 7.678 0.312 1.00 0.00 C ATOM 996 C ALA A 70 0.357 7.807 -1.180 1.00 0.00 C ATOM 997 O ALA A 70 1.260 7.695 -2.010 1.00 0.00 O ATOM 998 CB ALA A 70 -0.110 6.495 0.899 1.00 0.00 C ATOM 0 H ALA A 70 -0.183 8.755 1.907 1.00 0.00 H new ATOM 0 HA ALA A 70 1.717 7.507 0.434 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.158 5.587 0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.151 6.382 1.951 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.182 6.668 0.808 1.00 0.00 H new ATOM 1004 N LEU A 71 -0.907 8.042 -1.513 1.00 0.00 N ATOM 1005 CA LEU A 71 -1.317 8.186 -2.906 1.00 0.00 C ATOM 1006 C LEU A 71 -0.486 9.252 -3.611 1.00 0.00 C ATOM 1007 O LEU A 71 -0.378 9.261 -4.838 1.00 0.00 O ATOM 1008 CB LEU A 71 -2.802 8.544 -2.987 1.00 0.00 C ATOM 1009 CG LEU A 71 -3.784 7.395 -2.754 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -5.085 7.915 -2.165 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -4.047 6.646 -4.054 1.00 0.00 C ATOM 0 H LEU A 71 -1.666 8.137 -0.838 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.152 7.233 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.007 9.325 -2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.999 8.970 -3.971 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.338 6.701 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.771 7.083 -2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.883 8.405 -1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.536 8.630 -2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.748 5.832 -3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.471 7.330 -4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.110 6.239 -4.435 1.00 0.00 H new ATOM 1023 N LYS A 72 0.103 10.149 -2.828 1.00 0.00 N ATOM 1024 CA LYS A 72 0.929 11.220 -3.376 1.00 0.00 C ATOM 1025 C LYS A 72 2.353 10.735 -3.623 1.00 0.00 C ATOM 1026 O LYS A 72 2.790 10.618 -4.768 1.00 0.00 O ATOM 1027 CB LYS A 72 0.945 12.417 -2.423 1.00 0.00 C ATOM 1028 CG LYS A 72 1.301 13.729 -3.100 1.00 0.00 C ATOM 1029 CD LYS A 72 1.469 14.851 -2.091 1.00 0.00 C ATOM 1030 CE LYS A 72 0.145 15.538 -1.795 1.00 0.00 C ATOM 1031 NZ LYS A 72 -0.599 14.862 -0.697 1.00 0.00 N ATOM 0 H LYS A 72 0.024 10.156 -1.811 1.00 0.00 H new ATOM 0 HA LYS A 72 0.498 11.527 -4.329 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.036 12.513 -1.957 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.660 12.225 -1.623 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.224 13.608 -3.667 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.521 13.994 -3.814 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.887 14.451 -1.167 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.182 15.582 -2.473 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.328 16.577 -1.523 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.468 15.548 -2.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.189 15.558 -0.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.205 14.117 -1.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.077 14.438 -0.030 1.00 0.00 H new ATOM 1045 N VAL A 73 3.074 10.453 -2.543 1.00 0.00 N ATOM 1046 CA VAL A 73 4.449 9.978 -2.643 1.00 0.00 C ATOM 1047 C VAL A 73 4.558 8.812 -3.620 1.00 0.00 C ATOM 1048 O VAL A 73 5.586 8.629 -4.271 1.00 0.00 O ATOM 1049 CB VAL A 73 4.992 9.535 -1.271 1.00 0.00 C ATOM 1050 CG1 VAL A 73 6.233 8.673 -1.440 1.00 0.00 C ATOM 1051 CG2 VAL A 73 5.291 10.747 -0.402 1.00 0.00 C ATOM 0 H VAL A 73 2.729 10.545 -1.588 1.00 0.00 H new ATOM 0 HA VAL A 73 5.046 10.813 -3.009 1.00 0.00 H new ATOM 0 HB VAL A 73 4.229 8.937 -0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.602 8.370 -0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.984 7.787 -2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.004 9.243 -1.957 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.674 10.417 0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.037 11.372 -0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.377 11.322 -0.253 1.00 0.00 H new ATOM 1061 N ALA A 74 3.491 8.027 -3.717 1.00 0.00 N ATOM 1062 CA ALA A 74 3.465 6.881 -4.617 1.00 0.00 C ATOM 1063 C ALA A 74 3.300 7.323 -6.066 1.00 0.00 C ATOM 1064 O ALA A 74 3.884 6.735 -6.975 1.00 0.00 O ATOM 1065 CB ALA A 74 2.346 5.927 -4.224 1.00 0.00 C ATOM 0 H ALA A 74 2.633 8.164 -3.183 1.00 0.00 H new ATOM 0 HA ALA A 74 4.419 6.361 -4.530 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.338 5.076 -4.904 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.508 5.576 -3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.389 6.446 -4.281 1.00 0.00 H new ATOM 1071 N GLU A 75 2.500 8.364 -6.275 1.00 0.00 N ATOM 1072 CA GLU A 75 2.258 8.885 -7.616 1.00 0.00 C ATOM 1073 C GLU A 75 3.387 9.815 -8.050 1.00 0.00 C ATOM 1074 O GLU A 75 3.553 10.095 -9.236 1.00 0.00 O ATOM 1075 CB GLU A 75 0.922 9.629 -7.665 1.00 0.00 C ATOM 1076 CG GLU A 75 0.597 10.205 -9.033 1.00 0.00 C ATOM 1077 CD GLU A 75 1.376 11.471 -9.333 1.00 0.00 C ATOM 1078 OE1 GLU A 75 1.819 12.138 -8.374 1.00 0.00 O ATOM 1079 OE2 GLU A 75 1.542 11.796 -10.527 1.00 0.00 O ATOM 0 H GLU A 75 2.009 8.863 -5.533 1.00 0.00 H new ATOM 0 HA GLU A 75 2.221 8.041 -8.305 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.125 8.947 -7.368 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.939 10.437 -6.934 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.814 9.459 -9.798 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.471 10.418 -9.089 1.00 0.00 H new ATOM 1086 N ASN A 76 4.161 10.289 -7.080 1.00 0.00 N ATOM 1087 CA ASN A 76 5.274 11.189 -7.362 1.00 0.00 C ATOM 1088 C ASN A 76 6.579 10.412 -7.502 1.00 0.00 C ATOM 1089 O ASN A 76 7.193 10.399 -8.568 1.00 0.00 O ATOM 1090 CB ASN A 76 5.407 12.234 -6.251 1.00 0.00 C ATOM 1091 CG ASN A 76 4.456 13.401 -6.438 1.00 0.00 C ATOM 1092 OD1 ASN A 76 4.367 13.975 -7.524 1.00 0.00 O ATOM 1093 ND2 ASN A 76 3.740 13.756 -5.378 1.00 0.00 N ATOM 0 H ASN A 76 4.039 10.065 -6.092 1.00 0.00 H new ATOM 0 HA ASN A 76 5.069 11.695 -8.305 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.214 11.762 -5.287 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.432 12.604 -6.225 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.083 14.533 -5.443 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.847 13.251 -4.498 1.00 0.00 H new ATOM 1100 N GLU A 77 6.997 9.765 -6.418 1.00 0.00 N ATOM 1101 CA GLU A 77 8.229 8.986 -6.421 1.00 0.00 C ATOM 1102 C GLU A 77 8.052 7.691 -7.209 1.00 0.00 C ATOM 1103 O GLU A 77 8.642 7.515 -8.275 1.00 0.00 O ATOM 1104 CB GLU A 77 8.661 8.668 -4.988 1.00 0.00 C ATOM 1105 CG GLU A 77 9.584 9.713 -4.384 1.00 0.00 C ATOM 1106 CD GLU A 77 10.706 10.111 -5.323 1.00 0.00 C ATOM 1107 OE1 GLU A 77 11.406 9.208 -5.828 1.00 0.00 O ATOM 1108 OE2 GLU A 77 10.886 11.325 -5.552 1.00 0.00 O ATOM 0 H GLU A 77 6.500 9.765 -5.527 1.00 0.00 H new ATOM 0 HA GLU A 77 9.004 9.582 -6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.773 8.574 -4.362 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.163 7.701 -4.975 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.003 10.597 -4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.010 9.325 -3.459 1.00 0.00 H new ATOM 1115 N LEU A 78 7.236 6.789 -6.677 1.00 0.00 N ATOM 1116 CA LEU A 78 6.981 5.508 -7.330 1.00 0.00 C ATOM 1117 C LEU A 78 6.293 5.712 -8.677 1.00 0.00 C ATOM 1118 O LEU A 78 6.452 4.908 -9.593 1.00 0.00 O ATOM 1119 CB LEU A 78 6.118 4.620 -6.433 1.00 0.00 C ATOM 1120 CG LEU A 78 6.485 4.605 -4.949 1.00 0.00 C ATOM 1121 CD1 LEU A 78 5.604 3.625 -4.190 1.00 0.00 C ATOM 1122 CD2 LEU A 78 7.955 4.256 -4.766 1.00 0.00 C ATOM 0 H LEU A 78 6.739 6.919 -5.796 1.00 0.00 H new ATOM 0 HA LEU A 78 7.939 5.018 -7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.081 4.942 -6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.170 3.598 -6.810 1.00 0.00 H new ATOM 0 HG LEU A 78 6.316 5.602 -4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.880 3.629 -3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.560 3.920 -4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.740 2.623 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.198 4.250 -3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.150 3.270 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.571 4.997 -5.275 1.00 0.00 H new ATOM 1134 N GLY A 79 5.531 6.796 -8.788 1.00 0.00 N ATOM 1135 CA GLY A 79 4.833 7.086 -10.027 1.00 0.00 C ATOM 1136 C GLY A 79 3.641 6.177 -10.248 1.00 0.00 C ATOM 1137 O GLY A 79 3.104 6.103 -11.354 1.00 0.00 O ATOM 0 H GLY A 79 5.385 7.477 -8.043 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.498 8.123 -10.017 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.525 6.982 -10.863 1.00 0.00 H new ATOM 1141 N ILE A 80 3.227 5.480 -9.194 1.00 0.00 N ATOM 1142 CA ILE A 80 2.091 4.570 -9.279 1.00 0.00 C ATOM 1143 C ILE A 80 0.774 5.338 -9.324 1.00 0.00 C ATOM 1144 O ILE A 80 0.113 5.519 -8.301 1.00 0.00 O ATOM 1145 CB ILE A 80 2.063 3.592 -8.089 1.00 0.00 C ATOM 1146 CG1 ILE A 80 3.313 2.710 -8.098 1.00 0.00 C ATOM 1147 CG2 ILE A 80 0.805 2.738 -8.136 1.00 0.00 C ATOM 1148 CD1 ILE A 80 3.409 1.808 -9.308 1.00 0.00 C ATOM 0 H ILE A 80 3.661 5.528 -8.272 1.00 0.00 H new ATOM 0 HA ILE A 80 2.209 4.002 -10.202 1.00 0.00 H new ATOM 0 HB ILE A 80 2.054 4.167 -7.163 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.197 3.347 -8.059 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.321 2.097 -7.197 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.799 2.052 -7.289 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.074 3.381 -8.088 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.787 2.168 -9.065 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.320 1.212 -9.246 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.544 1.146 -9.338 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.433 2.415 -10.213 1.00 0.00 H new ATOM 1160 N THR A 81 0.396 5.786 -10.517 1.00 0.00 N ATOM 1161 CA THR A 81 -0.842 6.533 -10.695 1.00 0.00 C ATOM 1162 C THR A 81 -1.922 6.046 -9.736 1.00 0.00 C ATOM 1163 O THR A 81 -2.175 4.848 -9.604 1.00 0.00 O ATOM 1164 CB THR A 81 -1.365 6.417 -12.140 1.00 0.00 C ATOM 1165 OG1 THR A 81 -0.663 7.330 -12.990 1.00 0.00 O ATOM 1166 CG2 THR A 81 -2.858 6.707 -12.200 1.00 0.00 C ATOM 0 H THR A 81 0.930 5.644 -11.374 1.00 0.00 H new ATOM 0 HA THR A 81 -0.614 7.577 -10.481 1.00 0.00 H new ATOM 0 HB THR A 81 -1.194 5.397 -12.484 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.000 7.249 -13.907 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.205 6.619 -13.230 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.393 5.992 -11.575 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.047 7.718 -11.839 1.00 0.00 H new ATOM 1174 N PRO A 82 -2.575 6.994 -9.048 1.00 0.00 N ATOM 1175 CA PRO A 82 -3.640 6.684 -8.088 1.00 0.00 C ATOM 1176 C PRO A 82 -4.903 6.170 -8.770 1.00 0.00 C ATOM 1177 O PRO A 82 -5.742 6.953 -9.216 1.00 0.00 O ATOM 1178 CB PRO A 82 -3.908 8.030 -7.410 1.00 0.00 C ATOM 1179 CG PRO A 82 -3.481 9.050 -8.409 1.00 0.00 C ATOM 1180 CD PRO A 82 -2.326 8.442 -9.154 1.00 0.00 C ATOM 0 HA PRO A 82 -3.349 5.893 -7.397 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.962 8.142 -7.156 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.344 8.125 -6.482 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.297 9.296 -9.088 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.184 9.977 -7.918 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.301 8.770 -10.193 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.370 8.719 -8.709 1.00 0.00 H new ATOM 1188 N VAL A 83 -5.033 4.850 -8.848 1.00 0.00 N ATOM 1189 CA VAL A 83 -6.194 4.231 -9.475 1.00 0.00 C ATOM 1190 C VAL A 83 -7.461 4.498 -8.668 1.00 0.00 C ATOM 1191 O VAL A 83 -8.522 4.766 -9.230 1.00 0.00 O ATOM 1192 CB VAL A 83 -6.007 2.710 -9.627 1.00 0.00 C ATOM 1193 CG1 VAL A 83 -6.299 2.002 -8.313 1.00 0.00 C ATOM 1194 CG2 VAL A 83 -6.894 2.173 -10.740 1.00 0.00 C ATOM 0 H VAL A 83 -4.348 4.188 -8.484 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.295 4.677 -10.464 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.969 2.514 -9.895 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.162 0.928 -8.440 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.618 2.367 -7.544 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.327 2.203 -8.012 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.749 1.097 -10.834 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -7.938 2.379 -10.505 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.631 2.658 -11.680 1.00 0.00 H new ATOM 1204 N VAL A 84 -7.341 4.423 -7.346 1.00 0.00 N ATOM 1205 CA VAL A 84 -8.475 4.659 -6.461 1.00 0.00 C ATOM 1206 C VAL A 84 -8.373 6.022 -5.787 1.00 0.00 C ATOM 1207 O VAL A 84 -7.281 6.568 -5.631 1.00 0.00 O ATOM 1208 CB VAL A 84 -8.576 3.568 -5.377 1.00 0.00 C ATOM 1209 CG1 VAL A 84 -9.657 3.919 -4.367 1.00 0.00 C ATOM 1210 CG2 VAL A 84 -8.846 2.212 -6.010 1.00 0.00 C ATOM 0 H VAL A 84 -6.470 4.201 -6.865 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.371 4.631 -7.080 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.623 3.514 -4.850 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.714 3.138 -3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.415 4.869 -3.891 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.617 4.002 -4.876 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.914 1.454 -5.230 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.784 2.249 -6.563 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.033 1.960 -6.691 1.00 0.00 H new ATOM 1220 N SER A 85 -9.518 6.566 -5.389 1.00 0.00 N ATOM 1221 CA SER A 85 -9.559 7.868 -4.734 1.00 0.00 C ATOM 1222 C SER A 85 -9.342 7.728 -3.231 1.00 0.00 C ATOM 1223 O SER A 85 -9.962 6.889 -2.578 1.00 0.00 O ATOM 1224 CB SER A 85 -10.897 8.558 -5.005 1.00 0.00 C ATOM 1225 OG SER A 85 -10.889 9.212 -6.262 1.00 0.00 O ATOM 0 H SER A 85 -10.430 6.125 -5.509 1.00 0.00 H new ATOM 0 HA SER A 85 -8.754 8.478 -5.144 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.701 7.822 -4.980 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.103 9.282 -4.216 1.00 0.00 H new ATOM 0 HG SER A 85 -11.756 9.644 -6.412 1.00 0.00 H new ATOM 1231 N ALA A 86 -8.455 8.555 -2.687 1.00 0.00 N ATOM 1232 CA ALA A 86 -8.157 8.526 -1.261 1.00 0.00 C ATOM 1233 C ALA A 86 -9.415 8.259 -0.441 1.00 0.00 C ATOM 1234 O ALA A 86 -9.382 7.519 0.541 1.00 0.00 O ATOM 1235 CB ALA A 86 -7.510 9.834 -0.829 1.00 0.00 C ATOM 0 H ALA A 86 -7.930 9.254 -3.213 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.457 7.710 -1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.293 9.797 0.239 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.583 9.982 -1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.190 10.661 -1.033 1.00 0.00 H new ATOM 1241 N GLN A 87 -10.523 8.868 -0.853 1.00 0.00 N ATOM 1242 CA GLN A 87 -11.792 8.698 -0.156 1.00 0.00 C ATOM 1243 C GLN A 87 -12.274 7.254 -0.248 1.00 0.00 C ATOM 1244 O GLN A 87 -12.548 6.614 0.767 1.00 0.00 O ATOM 1245 CB GLN A 87 -12.849 9.639 -0.737 1.00 0.00 C ATOM 1246 CG GLN A 87 -14.075 9.795 0.146 1.00 0.00 C ATOM 1247 CD GLN A 87 -15.302 10.229 -0.631 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -15.195 10.765 -1.734 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -16.478 9.994 -0.060 1.00 0.00 N ATOM 0 H GLN A 87 -10.567 9.483 -1.666 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.636 8.944 0.894 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.401 10.619 -0.899 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.159 9.265 -1.713 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.282 8.848 0.645 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.866 10.527 0.926 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -16.520 9.547 0.856 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -17.339 10.260 -0.537 1.00 0.00 H new ATOM 1258 N ALA A 88 -12.375 6.745 -1.472 1.00 0.00 N ATOM 1259 CA ALA A 88 -12.822 5.377 -1.697 1.00 0.00 C ATOM 1260 C ALA A 88 -12.025 4.393 -0.848 1.00 0.00 C ATOM 1261 O ALA A 88 -12.593 3.504 -0.212 1.00 0.00 O ATOM 1262 CB ALA A 88 -12.708 5.020 -3.171 1.00 0.00 C ATOM 0 H ALA A 88 -12.153 7.261 -2.323 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.868 5.309 -1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.045 3.995 -3.324 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.328 5.698 -3.758 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.669 5.111 -3.488 1.00 0.00 H new ATOM 1268 N VAL A 89 -10.706 4.556 -0.843 1.00 0.00 N ATOM 1269 CA VAL A 89 -9.831 3.682 -0.072 1.00 0.00 C ATOM 1270 C VAL A 89 -10.321 3.542 1.366 1.00 0.00 C ATOM 1271 O VAL A 89 -10.568 2.435 1.845 1.00 0.00 O ATOM 1272 CB VAL A 89 -8.382 4.205 -0.060 1.00 0.00 C ATOM 1273 CG1 VAL A 89 -7.490 3.289 0.762 1.00 0.00 C ATOM 1274 CG2 VAL A 89 -7.855 4.344 -1.481 1.00 0.00 C ATOM 0 H VAL A 89 -10.220 5.286 -1.365 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.853 2.706 -0.557 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.373 5.191 0.404 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.471 3.675 0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.858 3.246 1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.500 2.288 0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.830 4.715 -1.454 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.877 3.372 -1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.480 5.045 -2.034 1.00 0.00 H new ATOM 1284 N VAL A 90 -10.459 4.674 2.050 1.00 0.00 N ATOM 1285 CA VAL A 90 -10.921 4.679 3.432 1.00 0.00 C ATOM 1286 C VAL A 90 -12.385 4.263 3.525 1.00 0.00 C ATOM 1287 O VAL A 90 -12.719 3.266 4.163 1.00 0.00 O ATOM 1288 CB VAL A 90 -10.753 6.069 4.075 1.00 0.00 C ATOM 1289 CG1 VAL A 90 -11.326 6.079 5.484 1.00 0.00 C ATOM 1290 CG2 VAL A 90 -9.287 6.476 4.084 1.00 0.00 C ATOM 0 H VAL A 90 -10.257 5.598 1.669 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.307 3.959 3.973 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.306 6.796 3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.198 7.069 5.922 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.387 5.833 5.447 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.804 5.342 6.094 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.185 7.460 4.541 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.711 5.749 4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.913 6.511 3.061 1.00 0.00 H new ATOM 1300 N ALA A 91 -13.256 5.035 2.882 1.00 0.00 N ATOM 1301 CA ALA A 91 -14.684 4.746 2.889 1.00 0.00 C ATOM 1302 C ALA A 91 -14.945 3.265 2.633 1.00 0.00 C ATOM 1303 O ALA A 91 -16.007 2.745 2.973 1.00 0.00 O ATOM 1304 CB ALA A 91 -15.399 5.597 1.850 1.00 0.00 C ATOM 0 H ALA A 91 -12.997 5.866 2.350 1.00 0.00 H new ATOM 0 HA ALA A 91 -15.075 4.992 3.876 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.465 5.371 1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -15.248 6.652 2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -14.996 5.378 0.861 1.00 0.00 H new ATOM 1310 N GLY A 92 -13.969 2.591 2.032 1.00 0.00 N ATOM 1311 CA GLY A 92 -14.114 1.177 1.741 1.00 0.00 C ATOM 1312 C GLY A 92 -15.298 0.890 0.839 1.00 0.00 C ATOM 1313 O GLY A 92 -15.815 -0.228 0.818 1.00 0.00 O ATOM 0 H GLY A 92 -13.081 2.999 1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.203 0.811 1.267 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.231 0.627 2.675 1.00 0.00 H new ATOM 1317 N SER A 93 -15.731 1.901 0.093 1.00 0.00 N ATOM 1318 CA SER A 93 -16.866 1.752 -0.812 1.00 0.00 C ATOM 1319 C SER A 93 -16.479 0.935 -2.040 1.00 0.00 C ATOM 1320 O SER A 93 -17.244 0.090 -2.503 1.00 0.00 O ATOM 1321 CB SER A 93 -17.385 3.126 -1.241 1.00 0.00 C ATOM 1322 OG SER A 93 -16.736 3.570 -2.420 1.00 0.00 O ATOM 0 H SER A 93 -15.314 2.832 0.097 1.00 0.00 H new ATOM 0 HA SER A 93 -17.656 1.222 -0.281 1.00 0.00 H new ATOM 0 HB2 SER A 93 -18.460 3.075 -1.411 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.223 3.846 -0.439 1.00 0.00 H new ATOM 0 HG SER A 93 -17.086 4.449 -2.675 1.00 0.00 H new ATOM 1328 N ASP A 94 -15.285 1.194 -2.562 1.00 0.00 N ATOM 1329 CA ASP A 94 -14.794 0.483 -3.736 1.00 0.00 C ATOM 1330 C ASP A 94 -13.646 -0.452 -3.365 1.00 0.00 C ATOM 1331 O ASP A 94 -12.471 -0.089 -3.433 1.00 0.00 O ATOM 1332 CB ASP A 94 -14.335 1.475 -4.806 1.00 0.00 C ATOM 1333 CG ASP A 94 -15.421 2.463 -5.182 1.00 0.00 C ATOM 1334 OD1 ASP A 94 -16.484 2.020 -5.665 1.00 0.00 O ATOM 1335 OD2 ASP A 94 -15.207 3.679 -4.996 1.00 0.00 O ATOM 0 H ASP A 94 -14.640 1.891 -2.190 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.612 -0.116 -4.135 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.463 2.019 -4.443 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -14.022 0.927 -5.695 1.00 0.00 H new ATOM 1340 N PRO A 95 -13.992 -1.683 -2.962 1.00 0.00 N ATOM 1341 CA PRO A 95 -13.004 -2.694 -2.572 1.00 0.00 C ATOM 1342 C PRO A 95 -12.195 -3.203 -3.759 1.00 0.00 C ATOM 1343 O PRO A 95 -11.071 -3.681 -3.599 1.00 0.00 O ATOM 1344 CB PRO A 95 -13.861 -3.820 -1.987 1.00 0.00 C ATOM 1345 CG PRO A 95 -15.191 -3.661 -2.639 1.00 0.00 C ATOM 1346 CD PRO A 95 -15.372 -2.184 -2.857 1.00 0.00 C ATOM 0 HA PRO A 95 -12.266 -2.295 -1.876 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.430 -4.798 -2.201 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.939 -3.736 -0.903 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.229 -4.202 -3.584 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.985 -4.063 -2.009 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.944 -1.979 -3.762 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -15.907 -1.718 -2.029 1.00 0.00 H new ATOM 1354 N LEU A 96 -12.772 -3.097 -4.951 1.00 0.00 N ATOM 1355 CA LEU A 96 -12.103 -3.547 -6.167 1.00 0.00 C ATOM 1356 C LEU A 96 -10.942 -2.624 -6.524 1.00 0.00 C ATOM 1357 O LEU A 96 -9.826 -3.080 -6.771 1.00 0.00 O ATOM 1358 CB LEU A 96 -13.098 -3.606 -7.328 1.00 0.00 C ATOM 1359 CG LEU A 96 -14.129 -4.734 -7.272 1.00 0.00 C ATOM 1360 CD1 LEU A 96 -15.385 -4.273 -6.551 1.00 0.00 C ATOM 1361 CD2 LEU A 96 -14.465 -5.218 -8.675 1.00 0.00 C ATOM 0 H LEU A 96 -13.701 -2.704 -5.102 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.706 -4.546 -5.985 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.631 -2.656 -7.372 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.536 -3.700 -8.257 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.700 -5.566 -6.714 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.107 -5.089 -6.521 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.132 -3.975 -5.534 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.818 -3.424 -7.081 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.200 -6.021 -8.617 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.875 -4.392 -9.256 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.561 -5.588 -9.158 1.00 0.00 H new ATOM 1373 N GLY A 97 -11.213 -1.323 -6.546 1.00 0.00 N ATOM 1374 CA GLY A 97 -10.180 -0.356 -6.871 1.00 0.00 C ATOM 1375 C GLY A 97 -8.921 -0.554 -6.051 1.00 0.00 C ATOM 1376 O GLY A 97 -7.825 -0.668 -6.601 1.00 0.00 O ATOM 0 H GLY A 97 -12.129 -0.921 -6.345 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -9.935 -0.433 -7.930 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.564 0.651 -6.704 1.00 0.00 H new ATOM 1380 N LEU A 98 -9.075 -0.595 -4.732 1.00 0.00 N ATOM 1381 CA LEU A 98 -7.941 -0.781 -3.834 1.00 0.00 C ATOM 1382 C LEU A 98 -7.140 -2.020 -4.217 1.00 0.00 C ATOM 1383 O LEU A 98 -5.939 -1.939 -4.479 1.00 0.00 O ATOM 1384 CB LEU A 98 -8.425 -0.898 -2.388 1.00 0.00 C ATOM 1385 CG LEU A 98 -7.348 -1.186 -1.342 1.00 0.00 C ATOM 1386 CD1 LEU A 98 -6.284 -0.099 -1.358 1.00 0.00 C ATOM 1387 CD2 LEU A 98 -7.967 -1.306 0.044 1.00 0.00 C ATOM 0 H LEU A 98 -9.975 -0.502 -4.261 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.291 0.090 -3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.927 0.031 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.172 -1.690 -2.339 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.874 -2.136 -1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.526 -0.321 -0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.819 -0.060 -2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.744 0.864 -1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.185 -1.511 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.468 -0.373 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.692 -2.120 0.050 1.00 0.00 H new ATOM 1399 N ILE A 99 -7.812 -3.166 -4.250 1.00 0.00 N ATOM 1400 CA ILE A 99 -7.163 -4.422 -4.605 1.00 0.00 C ATOM 1401 C ILE A 99 -6.320 -4.268 -5.865 1.00 0.00 C ATOM 1402 O ILE A 99 -5.148 -4.642 -5.889 1.00 0.00 O ATOM 1403 CB ILE A 99 -8.193 -5.546 -4.824 1.00 0.00 C ATOM 1404 CG1 ILE A 99 -8.963 -5.821 -3.530 1.00 0.00 C ATOM 1405 CG2 ILE A 99 -7.502 -6.809 -5.314 1.00 0.00 C ATOM 1406 CD1 ILE A 99 -10.179 -6.700 -3.727 1.00 0.00 C ATOM 0 H ILE A 99 -8.806 -3.250 -4.035 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.517 -4.690 -3.769 1.00 0.00 H new ATOM 0 HB ILE A 99 -8.903 -5.225 -5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -8.294 -6.295 -2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.277 -4.872 -3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.243 -7.594 -5.464 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.995 -6.604 -6.257 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.772 -7.135 -4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -10.676 -6.853 -2.769 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -10.868 -6.218 -4.420 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -9.870 -7.663 -4.134 1.00 0.00 H new ATOM 1418 N ALA A 100 -6.923 -3.714 -6.911 1.00 0.00 N ATOM 1419 CA ALA A 100 -6.227 -3.505 -8.173 1.00 0.00 C ATOM 1420 C ALA A 100 -5.070 -2.526 -8.009 1.00 0.00 C ATOM 1421 O ALA A 100 -4.000 -2.709 -8.590 1.00 0.00 O ATOM 1422 CB ALA A 100 -7.196 -3.006 -9.235 1.00 0.00 C ATOM 0 H ALA A 100 -7.894 -3.401 -6.909 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.815 -4.462 -8.493 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.662 -2.854 -10.173 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.985 -3.743 -9.382 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.636 -2.063 -8.912 1.00 0.00 H new ATOM 1428 N TYR A 101 -5.292 -1.485 -7.214 1.00 0.00 N ATOM 1429 CA TYR A 101 -4.269 -0.474 -6.974 1.00 0.00 C ATOM 1430 C TYR A 101 -2.967 -1.117 -6.506 1.00 0.00 C ATOM 1431 O TYR A 101 -1.923 -0.971 -7.144 1.00 0.00 O ATOM 1432 CB TYR A 101 -4.754 0.538 -5.935 1.00 0.00 C ATOM 1433 CG TYR A 101 -3.839 1.730 -5.776 1.00 0.00 C ATOM 1434 CD1 TYR A 101 -3.245 2.326 -6.882 1.00 0.00 C ATOM 1435 CD2 TYR A 101 -3.565 2.258 -4.520 1.00 0.00 C ATOM 1436 CE1 TYR A 101 -2.407 3.416 -6.741 1.00 0.00 C ATOM 1437 CE2 TYR A 101 -2.729 3.349 -4.371 1.00 0.00 C ATOM 1438 CZ TYR A 101 -2.153 3.923 -5.484 1.00 0.00 C ATOM 1439 OH TYR A 101 -1.319 5.008 -5.339 1.00 0.00 O ATOM 0 H TYR A 101 -6.172 -1.319 -6.725 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.080 0.044 -7.914 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.747 0.888 -6.217 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.855 0.037 -4.972 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.441 1.931 -7.868 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.013 1.809 -3.646 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.954 3.868 -7.611 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.528 3.749 -3.388 1.00 0.00 H new ATOM 0 HH TYR A 101 -0.874 5.194 -6.192 1.00 0.00 H new ATOM 1449 N LEU A 102 -3.036 -1.829 -5.387 1.00 0.00 N ATOM 1450 CA LEU A 102 -1.864 -2.496 -4.831 1.00 0.00 C ATOM 1451 C LEU A 102 -1.128 -3.290 -5.907 1.00 0.00 C ATOM 1452 O LEU A 102 0.101 -3.258 -5.984 1.00 0.00 O ATOM 1453 CB LEU A 102 -2.275 -3.425 -3.688 1.00 0.00 C ATOM 1454 CG LEU A 102 -2.893 -2.749 -2.463 1.00 0.00 C ATOM 1455 CD1 LEU A 102 -3.280 -3.785 -1.420 1.00 0.00 C ATOM 1456 CD2 LEU A 102 -1.928 -1.730 -1.873 1.00 0.00 C ATOM 0 H LEU A 102 -3.891 -1.959 -4.847 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.191 -1.731 -4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.989 -4.152 -4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.396 -3.983 -3.366 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.796 -2.226 -2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -3.718 -3.285 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.007 -4.476 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.393 -4.337 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.384 -1.259 -1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.008 -2.231 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -1.701 -0.969 -2.620 1.00 0.00 H new ATOM 1468 N SER A 103 -1.888 -3.999 -6.735 1.00 0.00 N ATOM 1469 CA SER A 103 -1.308 -4.802 -7.805 1.00 0.00 C ATOM 1470 C SER A 103 -0.157 -4.060 -8.479 1.00 0.00 C ATOM 1471 O SER A 103 0.886 -4.646 -8.772 1.00 0.00 O ATOM 1472 CB SER A 103 -2.376 -5.158 -8.841 1.00 0.00 C ATOM 1473 OG SER A 103 -2.028 -6.336 -9.549 1.00 0.00 O ATOM 0 H SER A 103 -2.906 -4.034 -6.686 1.00 0.00 H new ATOM 0 HA SER A 103 -0.918 -5.720 -7.366 1.00 0.00 H new ATOM 0 HB2 SER A 103 -3.336 -5.299 -8.344 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.497 -4.332 -9.541 1.00 0.00 H new ATOM 0 HG SER A 103 -2.727 -6.543 -10.204 1.00 0.00 H new ATOM 1479 N HIS A 104 -0.356 -2.769 -8.722 1.00 0.00 N ATOM 1480 CA HIS A 104 0.665 -1.946 -9.360 1.00 0.00 C ATOM 1481 C HIS A 104 1.938 -1.912 -8.522 1.00 0.00 C ATOM 1482 O HIS A 104 3.043 -2.053 -9.046 1.00 0.00 O ATOM 1483 CB HIS A 104 0.143 -0.525 -9.574 1.00 0.00 C ATOM 1484 CG HIS A 104 -1.118 -0.465 -10.380 1.00 0.00 C ATOM 1485 ND1 HIS A 104 -1.531 0.669 -11.047 1.00 0.00 N ATOM 1486 CD2 HIS A 104 -2.059 -1.406 -10.623 1.00 0.00 C ATOM 1487 CE1 HIS A 104 -2.672 0.422 -11.667 1.00 0.00 C ATOM 1488 NE2 HIS A 104 -3.014 -0.831 -11.425 1.00 0.00 N ATOM 0 H HIS A 104 -1.214 -2.270 -8.487 1.00 0.00 H new ATOM 0 HA HIS A 104 0.901 -2.389 -10.328 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.034 -0.062 -8.603 1.00 0.00 H new ATOM 0 HB3 HIS A 104 0.912 0.064 -10.073 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -2.059 -2.421 -10.255 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -3.230 1.125 -12.269 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -3.851 -1.296 -11.777 1.00 0.00 H new ATOM 1497 N PHE A 105 1.777 -1.723 -7.217 1.00 0.00 N ATOM 1498 CA PHE A 105 2.914 -1.669 -6.306 1.00 0.00 C ATOM 1499 C PHE A 105 3.736 -2.953 -6.383 1.00 0.00 C ATOM 1500 O PHE A 105 4.956 -2.913 -6.539 1.00 0.00 O ATOM 1501 CB PHE A 105 2.435 -1.443 -4.870 1.00 0.00 C ATOM 1502 CG PHE A 105 2.090 -0.012 -4.571 1.00 0.00 C ATOM 1503 CD1 PHE A 105 0.915 0.545 -5.049 1.00 0.00 C ATOM 1504 CD2 PHE A 105 2.940 0.776 -3.814 1.00 0.00 C ATOM 1505 CE1 PHE A 105 0.594 1.862 -4.776 1.00 0.00 C ATOM 1506 CE2 PHE A 105 2.625 2.093 -3.537 1.00 0.00 C ATOM 1507 CZ PHE A 105 1.451 2.637 -4.019 1.00 0.00 C ATOM 0 H PHE A 105 0.870 -1.605 -6.766 1.00 0.00 H new ATOM 0 HA PHE A 105 3.547 -0.834 -6.606 1.00 0.00 H new ATOM 0 HB2 PHE A 105 1.560 -2.066 -4.685 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.212 -1.773 -4.180 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.242 -0.056 -5.642 1.00 0.00 H new ATOM 0 HD2 PHE A 105 3.860 0.357 -3.435 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.325 2.284 -5.154 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.297 2.696 -2.944 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.203 3.666 -3.805 1.00 0.00 H new ATOM 1517 N HIS A 106 3.056 -4.090 -6.272 1.00 0.00 N ATOM 1518 CA HIS A 106 3.722 -5.386 -6.330 1.00 0.00 C ATOM 1519 C HIS A 106 4.284 -5.646 -7.725 1.00 0.00 C ATOM 1520 O HIS A 106 5.497 -5.758 -7.905 1.00 0.00 O ATOM 1521 CB HIS A 106 2.749 -6.500 -5.944 1.00 0.00 C ATOM 1522 CG HIS A 106 3.369 -7.864 -5.942 1.00 0.00 C ATOM 1523 ND1 HIS A 106 2.787 -8.957 -6.548 1.00 0.00 N ATOM 1524 CD2 HIS A 106 4.529 -8.308 -5.404 1.00 0.00 C ATOM 1525 CE1 HIS A 106 3.560 -10.014 -6.382 1.00 0.00 C ATOM 1526 NE2 HIS A 106 4.625 -9.647 -5.691 1.00 0.00 N ATOM 0 H HIS A 106 2.046 -4.140 -6.142 1.00 0.00 H new ATOM 0 HA HIS A 106 4.549 -5.374 -5.620 1.00 0.00 H new ATOM 0 HB2 HIS A 106 2.346 -6.292 -4.953 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.908 -6.493 -6.638 1.00 0.00 H new ATOM 0 HD2 HIS A 106 5.246 -7.718 -4.852 1.00 0.00 H new ATOM 0 HE1 HIS A 106 3.357 -11.009 -6.749 1.00 0.00 H new ATOM 0 HE2 HIS A 106 5.393 -10.259 -5.416 1.00 0.00 H new ATOM 1535 N SER A 107 3.395 -5.743 -8.709 1.00 0.00 N ATOM 1536 CA SER A 107 3.802 -5.995 -10.085 1.00 0.00 C ATOM 1537 C SER A 107 5.088 -5.245 -10.417 1.00 0.00 C ATOM 1538 O SER A 107 5.878 -5.684 -11.253 1.00 0.00 O ATOM 1539 CB SER A 107 2.692 -5.578 -11.052 1.00 0.00 C ATOM 1540 OG SER A 107 1.502 -6.308 -10.809 1.00 0.00 O ATOM 0 H SER A 107 2.388 -5.651 -8.578 1.00 0.00 H new ATOM 0 HA SER A 107 3.986 -7.064 -10.193 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.496 -4.511 -10.947 1.00 0.00 H new ATOM 0 HB3 SER A 107 3.019 -5.742 -12.079 1.00 0.00 H new ATOM 0 HG SER A 107 1.020 -5.907 -10.056 1.00 0.00 H new ATOM 1546 N ALA A 108 5.292 -4.111 -9.756 1.00 0.00 N ATOM 1547 CA ALA A 108 6.483 -3.301 -9.978 1.00 0.00 C ATOM 1548 C ALA A 108 7.579 -3.648 -8.976 1.00 0.00 C ATOM 1549 O ALA A 108 8.763 -3.663 -9.314 1.00 0.00 O ATOM 1550 CB ALA A 108 6.139 -1.820 -9.893 1.00 0.00 C ATOM 0 H ALA A 108 4.648 -3.732 -9.062 1.00 0.00 H new ATOM 0 HA ALA A 108 6.858 -3.520 -10.978 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.038 -1.227 -10.061 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.396 -1.575 -10.652 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.736 -1.596 -8.905 1.00 0.00 H new ATOM 1556 N PHE A 109 7.177 -3.928 -7.740 1.00 0.00 N ATOM 1557 CA PHE A 109 8.126 -4.273 -6.687 1.00 0.00 C ATOM 1558 C PHE A 109 8.014 -5.750 -6.319 1.00 0.00 C ATOM 1559 O PHE A 109 8.075 -6.116 -5.145 1.00 0.00 O ATOM 1560 CB PHE A 109 7.885 -3.408 -5.450 1.00 0.00 C ATOM 1561 CG PHE A 109 8.288 -1.973 -5.633 1.00 0.00 C ATOM 1562 CD1 PHE A 109 7.529 -1.121 -6.419 1.00 0.00 C ATOM 1563 CD2 PHE A 109 9.428 -1.476 -5.021 1.00 0.00 C ATOM 1564 CE1 PHE A 109 7.899 0.200 -6.591 1.00 0.00 C ATOM 1565 CE2 PHE A 109 9.801 -0.157 -5.188 1.00 0.00 C ATOM 1566 CZ PHE A 109 9.037 0.683 -5.974 1.00 0.00 C ATOM 0 H PHE A 109 6.201 -3.923 -7.443 1.00 0.00 H new ATOM 0 HA PHE A 109 9.132 -4.084 -7.062 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.828 -3.449 -5.188 1.00 0.00 H new ATOM 0 HB3 PHE A 109 8.438 -3.828 -4.610 1.00 0.00 H new ATOM 0 HD1 PHE A 109 6.638 -1.493 -6.903 1.00 0.00 H new ATOM 0 HD2 PHE A 109 10.031 -2.128 -4.407 1.00 0.00 H new ATOM 0 HE1 PHE A 109 7.299 0.854 -7.207 1.00 0.00 H new ATOM 0 HE2 PHE A 109 10.691 0.218 -4.704 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.328 1.715 -6.106 1.00 0.00 H new ATOM 1576 N LYS A 110 7.850 -6.595 -7.331 1.00 0.00 N ATOM 1577 CA LYS A 110 7.730 -8.033 -7.116 1.00 0.00 C ATOM 1578 C LYS A 110 8.977 -8.762 -7.608 1.00 0.00 C ATOM 1579 O LYS A 110 9.535 -8.422 -8.651 1.00 0.00 O ATOM 1580 CB LYS A 110 6.493 -8.575 -7.835 1.00 0.00 C ATOM 1581 CG LYS A 110 6.642 -8.629 -9.346 1.00 0.00 C ATOM 1582 CD LYS A 110 5.593 -9.528 -9.978 1.00 0.00 C ATOM 1583 CE LYS A 110 6.056 -10.066 -11.324 1.00 0.00 C ATOM 1584 NZ LYS A 110 6.962 -11.238 -11.171 1.00 0.00 N ATOM 0 H LYS A 110 7.797 -6.309 -8.309 1.00 0.00 H new ATOM 0 HA LYS A 110 7.626 -8.208 -6.045 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.277 -9.577 -7.464 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.635 -7.951 -7.585 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.556 -7.623 -9.757 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.637 -8.994 -9.602 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.374 -10.360 -9.308 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.665 -8.971 -10.108 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.188 -10.353 -11.918 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.572 -9.278 -11.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.255 -11.575 -12.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.802 -10.958 -10.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.462 -12.000 -10.670 1.00 0.00 H new