USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 740 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 LYS NZ :NH3+ 152:sc= 0 (180deg=0) USER MOD Set 1.2: A 76 ASN : amide:sc= -1.15 X(o=-1.1,f=-1.3) USER MOD Set 2.1: A 29 SER OG : rot -45:sc= 0.139 USER MOD Set 2.2: A 34 SER OG : rot 85:sc= 1.66 USER MOD Single : A 16 CYS SG : rot -27:sc= 0.229 USER MOD Single : A 17 GLN : amide:sc= -0.0179 K(o=-0.018,f=-0.83) USER MOD Single : A 19 GLN : amide:sc= -0.344 K(o=-0.34,f=-1) USER MOD Single : A 20 THR OG1 : rot -71:sc= 0.234 USER MOD Single : A 23 TYR OH : rot 30:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -1.09 K(o=-1.1,f=-2.6!) 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 42 CYS SG : rot 52:sc= -4.41! USER MOD Single : A 46 TYR OH : rot 80:sc= -0.0133 USER MOD Single : A 49 GLN : amide:sc= -7! C(o=-7!,f=-8.4!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 67 THR OG1 : rot -131:sc= -1.2 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= -2.47 K(o=-2.5,f=-6.1!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 30:sc= -0.999 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= -2.81! K(o=-2.8!,f=-0.76) USER MOD Single : A 106 HIS : no HD1:sc= -7.64! K(o=-7.6!,f=-3.1) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ -163:sc= 0.167 (180deg=-0.236) USER MOD ----------------------------------------------------------------- ATOM 112 N GLU A 11 -1.313 -13.722 -3.285 1.00 0.00 N ATOM 113 CA GLU A 11 0.091 -13.358 -3.437 1.00 0.00 C ATOM 114 C GLU A 11 0.309 -11.882 -3.112 1.00 0.00 C ATOM 115 O GLU A 11 1.246 -11.525 -2.397 1.00 0.00 O ATOM 116 CB GLU A 11 0.566 -13.653 -4.862 1.00 0.00 C ATOM 117 CG GLU A 11 2.078 -13.682 -5.006 1.00 0.00 C ATOM 118 CD GLU A 11 2.681 -15.001 -4.566 1.00 0.00 C ATOM 119 OE1 GLU A 11 2.287 -15.506 -3.493 1.00 0.00 O ATOM 120 OE2 GLU A 11 3.548 -15.529 -5.293 1.00 0.00 O ATOM 0 HA GLU A 11 0.673 -13.957 -2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.161 -14.614 -5.179 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.160 -12.898 -5.535 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.344 -13.495 -6.046 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.511 -12.874 -4.416 1.00 0.00 H new ATOM 127 N LEU A 12 -0.561 -11.031 -3.643 1.00 0.00 N ATOM 128 CA LEU A 12 -0.465 -9.594 -3.410 1.00 0.00 C ATOM 129 C LEU A 12 -0.583 -9.274 -1.924 1.00 0.00 C ATOM 130 O LEU A 12 0.227 -8.528 -1.372 1.00 0.00 O ATOM 131 CB LEU A 12 -1.555 -8.857 -4.191 1.00 0.00 C ATOM 132 CG LEU A 12 -1.709 -7.368 -3.883 1.00 0.00 C ATOM 133 CD1 LEU A 12 -0.438 -6.614 -4.237 1.00 0.00 C ATOM 134 CD2 LEU A 12 -2.901 -6.789 -4.632 1.00 0.00 C ATOM 0 H LEU A 12 -1.341 -11.311 -4.238 1.00 0.00 H new ATOM 0 HA LEU A 12 0.512 -9.259 -3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.350 -8.968 -5.256 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.508 -9.348 -3.997 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.887 -7.255 -2.814 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.568 -5.556 -4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.394 -7.010 -3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.228 -6.734 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.996 -5.728 -4.401 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.753 -6.915 -5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.809 -7.309 -4.328 1.00 0.00 H new ATOM 146 N LEU A 13 -1.596 -9.843 -1.280 1.00 0.00 N ATOM 147 CA LEU A 13 -1.820 -9.621 0.144 1.00 0.00 C ATOM 148 C LEU A 13 -0.575 -9.970 0.952 1.00 0.00 C ATOM 149 O LEU A 13 -0.133 -9.192 1.798 1.00 0.00 O ATOM 150 CB LEU A 13 -3.008 -10.454 0.630 1.00 0.00 C ATOM 151 CG LEU A 13 -3.127 -10.632 2.145 1.00 0.00 C ATOM 152 CD1 LEU A 13 -3.427 -9.302 2.816 1.00 0.00 C ATOM 153 CD2 LEU A 13 -4.204 -11.654 2.478 1.00 0.00 C ATOM 0 H LEU A 13 -2.276 -10.462 -1.722 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.041 -8.564 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.925 -9.990 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.946 -11.441 0.172 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.174 -11.000 2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.508 -9.448 3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.622 -8.598 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.366 -8.904 2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.275 -11.768 3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.162 -11.314 2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.947 -12.613 2.028 1.00 0.00 H new ATOM 165 N ARG A 14 -0.012 -11.144 0.685 1.00 0.00 N ATOM 166 CA ARG A 14 1.184 -11.596 1.387 1.00 0.00 C ATOM 167 C ARG A 14 2.355 -10.652 1.128 1.00 0.00 C ATOM 168 O ARG A 14 3.000 -10.178 2.064 1.00 0.00 O ATOM 169 CB ARG A 14 1.552 -13.015 0.949 1.00 0.00 C ATOM 170 CG ARG A 14 0.534 -14.064 1.364 1.00 0.00 C ATOM 171 CD ARG A 14 1.154 -15.451 1.421 1.00 0.00 C ATOM 172 NE ARG A 14 1.878 -15.677 2.668 1.00 0.00 N ATOM 173 CZ ARG A 14 2.854 -16.568 2.801 1.00 0.00 C ATOM 174 NH1 ARG A 14 3.222 -17.313 1.768 1.00 0.00 N ATOM 175 NH2 ARG A 14 3.465 -16.715 3.970 1.00 0.00 N ATOM 0 H ARG A 14 -0.365 -11.800 -0.012 1.00 0.00 H new ATOM 0 HA ARG A 14 0.970 -11.597 2.456 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.660 -13.035 -0.135 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.523 -13.276 1.371 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.123 -13.808 2.341 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.297 -14.065 0.659 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.371 -16.202 1.315 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.834 -15.579 0.579 1.00 0.00 H new ATOM 0 HE ARG A 14 1.620 -15.120 3.483 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.755 -17.203 0.868 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.972 -17.996 1.873 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.185 -16.144 4.767 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.214 -17.400 4.071 1.00 0.00 H new ATOM 189 N TRP A 15 2.623 -10.386 -0.145 1.00 0.00 N ATOM 190 CA TRP A 15 3.717 -9.498 -0.526 1.00 0.00 C ATOM 191 C TRP A 15 3.622 -8.169 0.214 1.00 0.00 C ATOM 192 O TRP A 15 4.635 -7.606 0.630 1.00 0.00 O ATOM 193 CB TRP A 15 3.704 -9.259 -2.036 1.00 0.00 C ATOM 194 CG TRP A 15 4.753 -8.292 -2.493 1.00 0.00 C ATOM 195 CD1 TRP A 15 6.073 -8.562 -2.719 1.00 0.00 C ATOM 196 CD2 TRP A 15 4.572 -6.900 -2.777 1.00 0.00 C ATOM 197 NE1 TRP A 15 6.723 -7.421 -3.127 1.00 0.00 N ATOM 198 CE2 TRP A 15 5.824 -6.389 -3.171 1.00 0.00 C ATOM 199 CE3 TRP A 15 3.473 -6.038 -2.739 1.00 0.00 C ATOM 200 CZ2 TRP A 15 6.004 -5.054 -3.523 1.00 0.00 C ATOM 201 CZ3 TRP A 15 3.654 -4.713 -3.087 1.00 0.00 C ATOM 202 CH2 TRP A 15 4.911 -4.232 -3.476 1.00 0.00 C ATOM 0 H TRP A 15 2.099 -10.772 -0.931 1.00 0.00 H new ATOM 0 HA TRP A 15 4.656 -9.979 -0.250 1.00 0.00 H new ATOM 0 HB2 TRP A 15 3.849 -10.210 -2.548 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.723 -8.885 -2.329 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.538 -9.529 -2.595 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.714 -7.354 -3.359 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.500 -6.401 -2.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 6.972 -4.680 -3.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 2.812 -4.037 -3.059 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.020 -3.191 -3.744 1.00 0.00 H new ATOM 213 N CYS A 16 2.401 -7.672 0.374 1.00 0.00 N ATOM 214 CA CYS A 16 2.174 -6.406 1.063 1.00 0.00 C ATOM 215 C CYS A 16 2.334 -6.572 2.570 1.00 0.00 C ATOM 216 O CYS A 16 2.827 -5.676 3.254 1.00 0.00 O ATOM 217 CB CYS A 16 0.779 -5.868 0.741 1.00 0.00 C ATOM 218 SG CYS A 16 0.529 -5.461 -1.002 1.00 0.00 S ATOM 0 H CYS A 16 1.552 -8.126 0.036 1.00 0.00 H new ATOM 0 HA CYS A 16 2.919 -5.691 0.713 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.038 -6.609 1.040 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.598 -4.976 1.341 1.00 0.00 H new ATOM 0 HG CYS A 16 1.670 -5.152 -1.543 1.00 0.00 H new ATOM 224 N GLN A 17 1.912 -7.724 3.082 1.00 0.00 N ATOM 225 CA GLN A 17 2.006 -8.006 4.509 1.00 0.00 C ATOM 226 C GLN A 17 3.450 -7.911 4.988 1.00 0.00 C ATOM 227 O GLN A 17 3.721 -7.403 6.076 1.00 0.00 O ATOM 228 CB GLN A 17 1.444 -9.396 4.814 1.00 0.00 C ATOM 229 CG GLN A 17 -0.068 -9.421 4.971 1.00 0.00 C ATOM 230 CD GLN A 17 -0.601 -10.809 5.265 1.00 0.00 C ATOM 231 OE1 GLN A 17 0.133 -11.796 5.202 1.00 0.00 O ATOM 232 NE2 GLN A 17 -1.886 -10.892 5.589 1.00 0.00 N ATOM 0 H GLN A 17 1.502 -8.477 2.529 1.00 0.00 H new ATOM 0 HA GLN A 17 1.416 -7.260 5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.729 -10.078 4.013 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.902 -9.771 5.729 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.357 -8.747 5.777 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.531 -9.044 4.059 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.457 -10.048 5.629 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.302 -11.800 5.798 1.00 0.00 H new ATOM 241 N GLU A 18 4.374 -8.405 4.170 1.00 0.00 N ATOM 242 CA GLU A 18 5.791 -8.377 4.512 1.00 0.00 C ATOM 243 C GLU A 18 6.310 -6.943 4.562 1.00 0.00 C ATOM 244 O GLU A 18 7.077 -6.581 5.454 1.00 0.00 O ATOM 245 CB GLU A 18 6.600 -9.189 3.498 1.00 0.00 C ATOM 246 CG GLU A 18 6.314 -10.680 3.546 1.00 0.00 C ATOM 247 CD GLU A 18 6.732 -11.312 4.859 1.00 0.00 C ATOM 248 OE1 GLU A 18 5.982 -11.175 5.849 1.00 0.00 O ATOM 249 OE2 GLU A 18 7.808 -11.944 4.899 1.00 0.00 O ATOM 0 H GLU A 18 4.167 -8.829 3.266 1.00 0.00 H new ATOM 0 HA GLU A 18 5.909 -8.823 5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.386 -8.819 2.495 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.662 -9.025 3.679 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.248 -10.847 3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.837 -11.173 2.727 1.00 0.00 H new ATOM 256 N GLN A 19 5.887 -6.133 3.597 1.00 0.00 N ATOM 257 CA GLN A 19 6.310 -4.739 3.530 1.00 0.00 C ATOM 258 C GLN A 19 5.728 -3.938 4.690 1.00 0.00 C ATOM 259 O GLN A 19 6.452 -3.243 5.406 1.00 0.00 O ATOM 260 CB GLN A 19 5.882 -4.118 2.200 1.00 0.00 C ATOM 261 CG GLN A 19 6.454 -4.830 0.984 1.00 0.00 C ATOM 262 CD GLN A 19 7.935 -5.120 1.122 1.00 0.00 C ATOM 263 OE1 GLN A 19 8.694 -4.304 1.646 1.00 0.00 O ATOM 264 NE2 GLN A 19 8.356 -6.288 0.650 1.00 0.00 N ATOM 0 H GLN A 19 5.252 -6.418 2.851 1.00 0.00 H new ATOM 0 HA GLN A 19 7.397 -4.711 3.602 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.794 -4.127 2.138 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.194 -3.074 2.179 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.917 -5.766 0.830 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.288 -4.218 0.098 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.693 -6.935 0.223 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.343 -6.538 0.714 1.00 0.00 H new ATOM 273 N THR A 20 4.414 -4.036 4.872 1.00 0.00 N ATOM 274 CA THR A 20 3.734 -3.319 5.943 1.00 0.00 C ATOM 275 C THR A 20 4.143 -3.857 7.309 1.00 0.00 C ATOM 276 O THR A 20 3.891 -3.227 8.336 1.00 0.00 O ATOM 277 CB THR A 20 2.205 -3.417 5.802 1.00 0.00 C ATOM 278 OG1 THR A 20 1.785 -4.778 5.952 1.00 0.00 O ATOM 279 CG2 THR A 20 1.751 -2.887 4.450 1.00 0.00 C ATOM 0 H THR A 20 3.800 -4.606 4.290 1.00 0.00 H new ATOM 0 HA THR A 20 4.032 -2.274 5.863 1.00 0.00 H new ATOM 0 HB THR A 20 1.751 -2.809 6.584 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.059 -5.294 5.165 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.667 -2.967 4.373 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.046 -1.842 4.351 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.215 -3.472 3.656 1.00 0.00 H new ATOM 287 N ALA A 21 4.775 -5.026 7.315 1.00 0.00 N ATOM 288 CA ALA A 21 5.222 -5.647 8.557 1.00 0.00 C ATOM 289 C ALA A 21 6.230 -4.763 9.282 1.00 0.00 C ATOM 290 O ALA A 21 6.563 -5.006 10.441 1.00 0.00 O ATOM 291 CB ALA A 21 5.822 -7.016 8.276 1.00 0.00 C ATOM 0 H ALA A 21 4.989 -5.562 6.474 1.00 0.00 H new ATOM 0 HA ALA A 21 4.355 -5.769 9.206 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.151 -7.468 9.212 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.071 -7.654 7.810 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.674 -6.909 7.605 1.00 0.00 H new ATOM 297 N GLY A 22 6.713 -3.735 8.591 1.00 0.00 N ATOM 298 CA GLY A 22 7.680 -2.830 9.186 1.00 0.00 C ATOM 299 C GLY A 22 7.067 -1.498 9.571 1.00 0.00 C ATOM 300 O GLY A 22 7.564 -0.442 9.179 1.00 0.00 O ATOM 0 H GLY A 22 6.452 -3.513 7.630 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.113 -3.296 10.071 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.496 -2.661 8.483 1.00 0.00 H new ATOM 304 N TYR A 23 5.985 -1.547 10.338 1.00 0.00 N ATOM 305 CA TYR A 23 5.300 -0.335 10.773 1.00 0.00 C ATOM 306 C TYR A 23 4.389 -0.620 11.963 1.00 0.00 C ATOM 307 O TYR A 23 3.562 -1.533 11.940 1.00 0.00 O ATOM 308 CB TYR A 23 4.485 0.257 9.622 1.00 0.00 C ATOM 309 CG TYR A 23 4.165 1.723 9.798 1.00 0.00 C ATOM 310 CD1 TYR A 23 3.518 2.182 10.939 1.00 0.00 C ATOM 311 CD2 TYR A 23 4.510 2.652 8.824 1.00 0.00 C ATOM 312 CE1 TYR A 23 3.224 3.522 11.103 1.00 0.00 C ATOM 313 CE2 TYR A 23 4.221 3.993 8.980 1.00 0.00 C ATOM 314 CZ TYR A 23 3.577 4.423 10.121 1.00 0.00 C ATOM 315 OH TYR A 23 3.286 5.759 10.282 1.00 0.00 O ATOM 0 H TYR A 23 5.562 -2.413 10.672 1.00 0.00 H new ATOM 0 HA TYR A 23 6.056 0.387 11.083 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.036 0.123 8.691 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.553 -0.300 9.523 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.240 1.479 11.711 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.013 2.319 7.928 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.720 3.862 11.996 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.498 4.701 8.213 1.00 0.00 H new ATOM 0 HH TYR A 23 3.291 5.982 11.236 1.00 0.00 H new ATOM 325 N PRO A 24 4.543 0.178 13.029 1.00 0.00 N ATOM 326 CA PRO A 24 3.742 0.032 14.249 1.00 0.00 C ATOM 327 C PRO A 24 2.286 0.431 14.038 1.00 0.00 C ATOM 328 O PRO A 24 1.995 1.515 13.533 1.00 0.00 O ATOM 329 CB PRO A 24 4.420 0.988 15.235 1.00 0.00 C ATOM 330 CG PRO A 24 5.086 2.008 14.376 1.00 0.00 C ATOM 331 CD PRO A 24 5.509 1.285 13.127 1.00 0.00 C ATOM 0 HA PRO A 24 3.707 -1.002 14.592 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.693 1.448 15.904 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.143 0.464 15.861 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.405 2.826 14.142 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.946 2.445 14.884 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.466 1.934 12.253 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.533 0.919 13.202 1.00 0.00 H new ATOM 339 N GLY A 25 1.372 -0.453 14.428 1.00 0.00 N ATOM 340 CA GLY A 25 -0.043 -0.175 14.272 1.00 0.00 C ATOM 341 C GLY A 25 -0.604 -0.727 12.977 1.00 0.00 C ATOM 342 O GLY A 25 -1.794 -1.031 12.886 1.00 0.00 O ATOM 0 H GLY A 25 1.587 -1.357 14.849 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.589 -0.604 15.112 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.204 0.903 14.304 1.00 0.00 H new ATOM 346 N VAL A 26 0.254 -0.853 11.969 1.00 0.00 N ATOM 347 CA VAL A 26 -0.163 -1.371 10.672 1.00 0.00 C ATOM 348 C VAL A 26 -0.251 -2.893 10.690 1.00 0.00 C ATOM 349 O VAL A 26 0.766 -3.584 10.781 1.00 0.00 O ATOM 350 CB VAL A 26 0.808 -0.937 9.557 1.00 0.00 C ATOM 351 CG1 VAL A 26 0.279 -1.361 8.195 1.00 0.00 C ATOM 352 CG2 VAL A 26 1.036 0.565 9.605 1.00 0.00 C ATOM 0 H VAL A 26 1.241 -0.603 12.026 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.150 -0.956 10.467 1.00 0.00 H new ATOM 0 HB VAL A 26 1.766 -1.432 9.719 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.977 -1.046 7.419 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.171 -2.445 8.168 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.691 -0.895 8.020 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.724 0.854 8.811 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.086 1.082 9.468 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.461 0.838 10.571 1.00 0.00 H new ATOM 362 N HIS A 27 -1.472 -3.412 10.602 1.00 0.00 N ATOM 363 CA HIS A 27 -1.693 -4.853 10.607 1.00 0.00 C ATOM 364 C HIS A 27 -2.549 -5.275 9.417 1.00 0.00 C ATOM 365 O HIS A 27 -3.724 -5.609 9.572 1.00 0.00 O ATOM 366 CB HIS A 27 -2.364 -5.283 11.912 1.00 0.00 C ATOM 367 CG HIS A 27 -3.390 -4.310 12.406 1.00 0.00 C ATOM 368 ND1 HIS A 27 -3.091 -3.269 13.259 1.00 0.00 N ATOM 369 CD2 HIS A 27 -4.719 -4.224 12.161 1.00 0.00 C ATOM 370 CE1 HIS A 27 -4.191 -2.585 13.519 1.00 0.00 C ATOM 371 NE2 HIS A 27 -5.193 -3.143 12.864 1.00 0.00 N ATOM 0 H HIS A 27 -2.323 -2.855 10.526 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.724 -5.345 10.527 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -2.837 -6.254 11.765 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.600 -5.413 12.678 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -2.165 -3.060 13.631 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.298 -4.882 11.531 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.259 -1.717 14.158 1.00 0.00 H new ATOM 380 N VAL A 28 -1.954 -5.258 8.230 1.00 0.00 N ATOM 381 CA VAL A 28 -2.661 -5.639 7.013 1.00 0.00 C ATOM 382 C VAL A 28 -3.032 -7.118 7.034 1.00 0.00 C ATOM 383 O VAL A 28 -2.194 -7.983 6.777 1.00 0.00 O ATOM 384 CB VAL A 28 -1.817 -5.351 5.758 1.00 0.00 C ATOM 385 CG1 VAL A 28 -2.489 -5.923 4.519 1.00 0.00 C ATOM 386 CG2 VAL A 28 -1.582 -3.855 5.606 1.00 0.00 C ATOM 0 H VAL A 28 -0.982 -4.984 8.084 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.570 -5.039 6.975 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.848 -5.838 5.873 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.878 -5.709 3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.600 -7.002 4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.472 -5.468 4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.984 -3.669 4.714 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.540 -3.344 5.513 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.053 -3.479 6.482 1.00 0.00 H new ATOM 396 N SER A 29 -4.294 -7.402 7.340 1.00 0.00 N ATOM 397 CA SER A 29 -4.776 -8.777 7.398 1.00 0.00 C ATOM 398 C SER A 29 -5.688 -9.083 6.213 1.00 0.00 C ATOM 399 O SER A 29 -6.118 -10.221 6.026 1.00 0.00 O ATOM 400 CB SER A 29 -5.523 -9.023 8.709 1.00 0.00 C ATOM 401 OG SER A 29 -6.807 -8.424 8.684 1.00 0.00 O ATOM 0 H SER A 29 -5.001 -6.698 7.552 1.00 0.00 H new ATOM 0 HA SER A 29 -3.913 -9.441 7.351 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.622 -10.095 8.879 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.946 -8.620 9.541 1.00 0.00 H new ATOM 0 HG SER A 29 -6.737 -7.515 8.325 1.00 0.00 H new ATOM 407 N ASP A 30 -5.978 -8.059 5.419 1.00 0.00 N ATOM 408 CA ASP A 30 -6.838 -8.217 4.252 1.00 0.00 C ATOM 409 C ASP A 30 -6.790 -6.974 3.369 1.00 0.00 C ATOM 410 O ASP A 30 -6.037 -6.037 3.639 1.00 0.00 O ATOM 411 CB ASP A 30 -8.279 -8.494 4.686 1.00 0.00 C ATOM 412 CG ASP A 30 -8.658 -7.738 5.945 1.00 0.00 C ATOM 413 OD1 ASP A 30 -8.485 -6.501 5.971 1.00 0.00 O ATOM 414 OD2 ASP A 30 -9.128 -8.383 6.905 1.00 0.00 O ATOM 0 H ASP A 30 -5.630 -7.111 5.562 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.472 -9.066 3.674 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.958 -8.216 3.880 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.406 -9.563 4.855 1.00 0.00 H new ATOM 419 N LEU A 31 -7.596 -6.974 2.313 1.00 0.00 N ATOM 420 CA LEU A 31 -7.644 -5.845 1.389 1.00 0.00 C ATOM 421 C LEU A 31 -9.022 -5.190 1.402 1.00 0.00 C ATOM 422 O LEU A 31 -9.450 -4.602 0.409 1.00 0.00 O ATOM 423 CB LEU A 31 -7.300 -6.307 -0.028 1.00 0.00 C ATOM 424 CG LEU A 31 -5.825 -6.612 -0.295 1.00 0.00 C ATOM 425 CD1 LEU A 31 -5.434 -7.942 0.330 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.545 -6.619 -1.791 1.00 0.00 C ATOM 0 H LEU A 31 -8.224 -7.741 2.075 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.909 -5.109 1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.881 -7.203 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.624 -5.537 -0.728 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.222 -5.828 0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.381 -8.143 0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.597 -7.900 1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.043 -8.738 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.491 -6.838 -1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.157 -7.382 -2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.786 -5.642 -2.211 1.00 0.00 H new ATOM 438 N SER A 32 -9.711 -5.294 2.534 1.00 0.00 N ATOM 439 CA SER A 32 -11.040 -4.712 2.675 1.00 0.00 C ATOM 440 C SER A 32 -10.976 -3.388 3.431 1.00 0.00 C ATOM 441 O SER A 32 -11.176 -2.320 2.852 1.00 0.00 O ATOM 442 CB SER A 32 -11.970 -5.683 3.405 1.00 0.00 C ATOM 443 OG SER A 32 -13.316 -5.245 3.343 1.00 0.00 O ATOM 0 H SER A 32 -9.371 -5.776 3.366 1.00 0.00 H new ATOM 0 HA SER A 32 -11.434 -4.522 1.677 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.886 -6.675 2.961 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.661 -5.773 4.447 1.00 0.00 H new ATOM 0 HG SER A 32 -13.890 -5.884 3.815 1.00 0.00 H new ATOM 449 N SER A 33 -10.698 -3.467 4.728 1.00 0.00 N ATOM 450 CA SER A 33 -10.611 -2.276 5.565 1.00 0.00 C ATOM 451 C SER A 33 -9.203 -2.109 6.128 1.00 0.00 C ATOM 452 O SER A 33 -8.766 -0.994 6.417 1.00 0.00 O ATOM 453 CB SER A 33 -11.624 -2.356 6.708 1.00 0.00 C ATOM 454 OG SER A 33 -11.949 -1.064 7.194 1.00 0.00 O ATOM 0 H SER A 33 -10.529 -4.343 5.222 1.00 0.00 H new ATOM 0 HA SER A 33 -10.840 -1.409 4.946 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.529 -2.856 6.362 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.216 -2.961 7.518 1.00 0.00 H new ATOM 0 HG SER A 33 -12.599 -1.143 7.923 1.00 0.00 H new ATOM 460 N SER A 34 -8.497 -3.224 6.281 1.00 0.00 N ATOM 461 CA SER A 34 -7.140 -3.203 6.813 1.00 0.00 C ATOM 462 C SER A 34 -6.348 -2.034 6.235 1.00 0.00 C ATOM 463 O SER A 34 -5.394 -1.554 6.849 1.00 0.00 O ATOM 464 CB SER A 34 -6.427 -4.520 6.500 1.00 0.00 C ATOM 465 OG SER A 34 -6.645 -5.474 7.525 1.00 0.00 O ATOM 0 H SER A 34 -8.842 -4.154 6.044 1.00 0.00 H new ATOM 0 HA SER A 34 -7.202 -3.079 7.894 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.786 -4.914 5.549 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.358 -4.341 6.387 1.00 0.00 H new ATOM 0 HG SER A 34 -7.488 -5.945 7.359 1.00 0.00 H new ATOM 471 N TRP A 35 -6.751 -1.581 5.055 1.00 0.00 N ATOM 472 CA TRP A 35 -6.080 -0.468 4.393 1.00 0.00 C ATOM 473 C TRP A 35 -6.870 0.824 4.565 1.00 0.00 C ATOM 474 O TRP A 35 -6.304 1.916 4.548 1.00 0.00 O ATOM 475 CB TRP A 35 -5.890 -0.770 2.906 1.00 0.00 C ATOM 476 CG TRP A 35 -5.077 -2.003 2.650 1.00 0.00 C ATOM 477 CD1 TRP A 35 -5.491 -3.298 2.770 1.00 0.00 C ATOM 478 CD2 TRP A 35 -3.708 -2.055 2.233 1.00 0.00 C ATOM 479 NE1 TRP A 35 -4.463 -4.153 2.452 1.00 0.00 N ATOM 480 CE2 TRP A 35 -3.358 -3.415 2.117 1.00 0.00 C ATOM 481 CE3 TRP A 35 -2.744 -1.085 1.942 1.00 0.00 C ATOM 482 CZ2 TRP A 35 -2.087 -3.827 1.727 1.00 0.00 C ATOM 483 CZ3 TRP A 35 -1.482 -1.496 1.555 1.00 0.00 C ATOM 484 CH2 TRP A 35 -1.163 -2.857 1.449 1.00 0.00 C ATOM 0 H TRP A 35 -7.540 -1.967 4.536 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.102 -0.339 4.857 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -6.868 -0.884 2.438 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.406 0.082 2.428 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.482 -3.606 3.071 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.514 -5.172 2.463 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.981 -0.034 2.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.839 -4.875 1.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.729 -0.756 1.330 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.169 -3.145 1.142 1.00 0.00 H new ATOM 495 N ALA A 36 -8.183 0.692 4.730 1.00 0.00 N ATOM 496 CA ALA A 36 -9.051 1.849 4.907 1.00 0.00 C ATOM 497 C ALA A 36 -8.388 2.904 5.788 1.00 0.00 C ATOM 498 O ALA A 36 -8.255 4.062 5.393 1.00 0.00 O ATOM 499 CB ALA A 36 -10.384 1.423 5.503 1.00 0.00 C ATOM 0 H ALA A 36 -8.668 -0.205 4.745 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.229 2.292 3.927 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.022 2.298 5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.871 0.712 4.835 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.216 0.953 6.472 1.00 0.00 H new ATOM 505 N ASP A 37 -7.975 2.494 6.982 1.00 0.00 N ATOM 506 CA ASP A 37 -7.326 3.403 7.920 1.00 0.00 C ATOM 507 C ASP A 37 -6.441 4.403 7.181 1.00 0.00 C ATOM 508 O ASP A 37 -6.466 5.600 7.470 1.00 0.00 O ATOM 509 CB ASP A 37 -6.491 2.617 8.932 1.00 0.00 C ATOM 510 CG ASP A 37 -7.275 1.491 9.577 1.00 0.00 C ATOM 511 OD1 ASP A 37 -8.293 1.780 10.240 1.00 0.00 O ATOM 512 OD2 ASP A 37 -6.872 0.320 9.417 1.00 0.00 O ATOM 0 H ASP A 37 -8.078 1.538 7.323 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.103 3.953 8.451 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.613 2.206 8.434 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.130 3.295 9.706 1.00 0.00 H new ATOM 517 N GLY A 38 -5.661 3.905 6.228 1.00 0.00 N ATOM 518 CA GLY A 38 -4.779 4.769 5.464 1.00 0.00 C ATOM 519 C GLY A 38 -3.313 4.482 5.729 1.00 0.00 C ATOM 520 O GLY A 38 -2.489 4.533 4.817 1.00 0.00 O ATOM 0 H GLY A 38 -5.623 2.919 5.971 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.984 4.644 4.401 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.993 5.809 5.709 1.00 0.00 H new ATOM 524 N LEU A 39 -2.989 4.182 6.982 1.00 0.00 N ATOM 525 CA LEU A 39 -1.613 3.887 7.366 1.00 0.00 C ATOM 526 C LEU A 39 -1.019 2.800 6.475 1.00 0.00 C ATOM 527 O LEU A 39 0.066 2.963 5.920 1.00 0.00 O ATOM 528 CB LEU A 39 -1.553 3.451 8.830 1.00 0.00 C ATOM 529 CG LEU A 39 -1.351 4.567 9.856 1.00 0.00 C ATOM 530 CD1 LEU A 39 -1.424 4.012 11.270 1.00 0.00 C ATOM 531 CD2 LEU A 39 -0.022 5.270 9.624 1.00 0.00 C ATOM 0 H LEU A 39 -3.660 4.137 7.749 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.025 4.796 7.240 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.478 2.927 9.070 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.742 2.732 8.941 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.151 5.297 9.733 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.278 4.821 11.986 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.401 3.556 11.432 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.646 3.261 11.407 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.105 6.061 10.363 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.792 4.551 9.719 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.009 5.703 8.624 1.00 0.00 H new ATOM 543 N ALA A 40 -1.742 1.692 6.342 1.00 0.00 N ATOM 544 CA ALA A 40 -1.289 0.580 5.515 1.00 0.00 C ATOM 545 C ALA A 40 -0.517 1.080 4.299 1.00 0.00 C ATOM 546 O ALA A 40 0.668 0.782 4.137 1.00 0.00 O ATOM 547 CB ALA A 40 -2.473 -0.270 5.079 1.00 0.00 C ATOM 0 H ALA A 40 -2.643 1.541 6.796 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.616 -0.035 6.112 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.120 -1.096 4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.981 -0.665 5.959 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.168 0.342 4.503 1.00 0.00 H new ATOM 553 N LEU A 41 -1.195 1.839 3.445 1.00 0.00 N ATOM 554 CA LEU A 41 -0.572 2.379 2.241 1.00 0.00 C ATOM 555 C LEU A 41 0.690 3.162 2.586 1.00 0.00 C ATOM 556 O LEU A 41 1.685 3.104 1.862 1.00 0.00 O ATOM 557 CB LEU A 41 -1.558 3.281 1.495 1.00 0.00 C ATOM 558 CG LEU A 41 -2.464 2.587 0.477 1.00 0.00 C ATOM 559 CD1 LEU A 41 -3.733 3.394 0.255 1.00 0.00 C ATOM 560 CD2 LEU A 41 -1.726 2.375 -0.837 1.00 0.00 C ATOM 0 H LEU A 41 -2.175 2.094 3.564 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.294 1.544 1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.188 3.783 2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.992 4.056 0.979 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.744 1.611 0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.365 2.885 -0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.271 3.493 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.474 4.384 -0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.386 1.880 -1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.415 3.339 -1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.847 1.754 -0.665 1.00 0.00 H new ATOM 572 N CYS A 42 0.643 3.892 3.694 1.00 0.00 N ATOM 573 CA CYS A 42 1.785 4.686 4.136 1.00 0.00 C ATOM 574 C CYS A 42 3.009 3.803 4.358 1.00 0.00 C ATOM 575 O CYS A 42 4.094 4.094 3.860 1.00 0.00 O ATOM 576 CB CYS A 42 1.442 5.437 5.424 1.00 0.00 C ATOM 577 SG CYS A 42 -0.124 6.338 5.359 1.00 0.00 S ATOM 0 H CYS A 42 -0.173 3.951 4.303 1.00 0.00 H new ATOM 0 HA CYS A 42 2.019 5.408 3.354 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.405 4.725 6.248 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.244 6.140 5.646 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.068 5.540 4.956 1.00 0.00 H new ATOM 583 N ALA A 43 2.823 2.723 5.111 1.00 0.00 N ATOM 584 CA ALA A 43 3.911 1.797 5.399 1.00 0.00 C ATOM 585 C ALA A 43 4.492 1.216 4.114 1.00 0.00 C ATOM 586 O ALA A 43 5.708 1.214 3.914 1.00 0.00 O ATOM 587 CB ALA A 43 3.428 0.683 6.314 1.00 0.00 C ATOM 0 H ALA A 43 1.930 2.468 5.532 1.00 0.00 H new ATOM 0 HA ALA A 43 4.701 2.350 5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.251 -0.001 6.520 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.068 1.111 7.250 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.618 0.139 5.829 1.00 0.00 H new ATOM 593 N LEU A 44 3.617 0.721 3.246 1.00 0.00 N ATOM 594 CA LEU A 44 4.042 0.136 1.980 1.00 0.00 C ATOM 595 C LEU A 44 4.893 1.119 1.184 1.00 0.00 C ATOM 596 O LEU A 44 5.915 0.746 0.605 1.00 0.00 O ATOM 597 CB LEU A 44 2.825 -0.285 1.155 1.00 0.00 C ATOM 598 CG LEU A 44 3.088 -0.606 -0.316 1.00 0.00 C ATOM 599 CD1 LEU A 44 3.793 -1.946 -0.453 1.00 0.00 C ATOM 600 CD2 LEU A 44 1.787 -0.603 -1.104 1.00 0.00 C ATOM 0 H LEU A 44 2.608 0.713 3.396 1.00 0.00 H new ATOM 0 HA LEU A 44 4.646 -0.744 2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.380 -1.163 1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.084 0.513 1.205 1.00 0.00 H new ATOM 0 HG LEU A 44 3.739 0.167 -0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.972 -2.157 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.745 -1.912 0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.168 -2.731 -0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.994 -0.833 -2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.111 -1.354 -0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.322 0.380 -1.035 1.00 0.00 H new ATOM 612 N VAL A 45 4.469 2.378 1.160 1.00 0.00 N ATOM 613 CA VAL A 45 5.194 3.416 0.439 1.00 0.00 C ATOM 614 C VAL A 45 6.503 3.763 1.141 1.00 0.00 C ATOM 615 O VAL A 45 7.584 3.604 0.574 1.00 0.00 O ATOM 616 CB VAL A 45 4.348 4.696 0.295 1.00 0.00 C ATOM 617 CG1 VAL A 45 5.133 5.777 -0.430 1.00 0.00 C ATOM 618 CG2 VAL A 45 3.045 4.394 -0.430 1.00 0.00 C ATOM 0 H VAL A 45 3.626 2.704 1.632 1.00 0.00 H new ATOM 0 HA VAL A 45 5.411 3.018 -0.552 1.00 0.00 H new ATOM 0 HB VAL A 45 4.106 5.064 1.292 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.519 6.673 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.035 6.012 0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.408 5.422 -1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.460 5.309 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.264 4.001 -1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.477 3.656 0.136 1.00 0.00 H new ATOM 628 N TYR A 46 6.397 4.235 2.378 1.00 0.00 N ATOM 629 CA TYR A 46 7.572 4.605 3.157 1.00 0.00 C ATOM 630 C TYR A 46 8.633 3.510 3.098 1.00 0.00 C ATOM 631 O TYR A 46 9.788 3.766 2.757 1.00 0.00 O ATOM 632 CB TYR A 46 7.181 4.875 4.611 1.00 0.00 C ATOM 633 CG TYR A 46 6.520 6.218 4.822 1.00 0.00 C ATOM 634 CD1 TYR A 46 7.186 7.398 4.515 1.00 0.00 C ATOM 635 CD2 TYR A 46 5.229 6.307 5.327 1.00 0.00 C ATOM 636 CE1 TYR A 46 6.586 8.627 4.705 1.00 0.00 C ATOM 637 CE2 TYR A 46 4.621 7.532 5.522 1.00 0.00 C ATOM 638 CZ TYR A 46 5.303 8.689 5.209 1.00 0.00 C ATOM 639 OH TYR A 46 4.701 9.912 5.400 1.00 0.00 O ATOM 0 H TYR A 46 5.510 4.370 2.862 1.00 0.00 H new ATOM 0 HA TYR A 46 7.991 5.514 2.725 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.504 4.090 4.948 1.00 0.00 H new ATOM 0 HB3 TYR A 46 8.073 4.817 5.235 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.191 7.353 4.121 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.691 5.403 5.571 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.118 9.535 4.461 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.617 7.583 5.917 1.00 0.00 H new ATOM 0 HH TYR A 46 4.362 10.247 4.544 1.00 0.00 H new ATOM 649 N ARG A 47 8.230 2.288 3.434 1.00 0.00 N ATOM 650 CA ARG A 47 9.145 1.153 3.420 1.00 0.00 C ATOM 651 C ARG A 47 9.807 1.004 2.053 1.00 0.00 C ATOM 652 O ARG A 47 11.024 1.145 1.923 1.00 0.00 O ATOM 653 CB ARG A 47 8.399 -0.134 3.780 1.00 0.00 C ATOM 654 CG ARG A 47 9.318 -1.310 4.069 1.00 0.00 C ATOM 655 CD ARG A 47 9.644 -1.411 5.550 1.00 0.00 C ATOM 656 NE ARG A 47 10.801 -0.599 5.912 1.00 0.00 N ATOM 657 CZ ARG A 47 10.716 0.664 6.316 1.00 0.00 C ATOM 658 NH1 ARG A 47 9.534 1.256 6.408 1.00 0.00 N ATOM 659 NH2 ARG A 47 11.816 1.338 6.628 1.00 0.00 N ATOM 0 H ARG A 47 7.278 2.059 3.719 1.00 0.00 H new ATOM 0 HA ARG A 47 9.922 1.336 4.162 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.774 0.051 4.653 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.731 -0.398 2.960 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.845 -2.234 3.736 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.241 -1.201 3.499 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.780 -1.092 6.134 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.837 -2.452 5.809 1.00 0.00 H new ATOM 0 HE ARG A 47 11.726 -1.024 5.852 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.686 0.742 6.168 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.472 2.226 6.718 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.728 0.886 6.558 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.749 2.307 6.938 1.00 0.00 H new ATOM 673 N LEU A 48 8.999 0.719 1.038 1.00 0.00 N ATOM 674 CA LEU A 48 9.507 0.552 -0.320 1.00 0.00 C ATOM 675 C LEU A 48 10.681 1.488 -0.581 1.00 0.00 C ATOM 676 O LEU A 48 11.688 1.088 -1.166 1.00 0.00 O ATOM 677 CB LEU A 48 8.394 0.813 -1.337 1.00 0.00 C ATOM 678 CG LEU A 48 7.479 -0.371 -1.650 1.00 0.00 C ATOM 679 CD1 LEU A 48 6.240 0.095 -2.399 1.00 0.00 C ATOM 680 CD2 LEU A 48 8.225 -1.425 -2.453 1.00 0.00 C ATOM 0 H LEU A 48 7.990 0.599 1.129 1.00 0.00 H new ATOM 0 HA LEU A 48 9.856 -0.475 -0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.779 1.634 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.851 1.149 -2.268 1.00 0.00 H new ATOM 0 HG LEU A 48 7.162 -0.819 -0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.601 -0.761 -2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.693 0.812 -1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.537 0.569 -3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.558 -2.260 -2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.573 -0.990 -3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.080 -1.782 -1.879 1.00 0.00 H new ATOM 692 N GLN A 49 10.545 2.736 -0.144 1.00 0.00 N ATOM 693 CA GLN A 49 11.597 3.729 -0.331 1.00 0.00 C ATOM 694 C GLN A 49 11.944 4.408 0.989 1.00 0.00 C ATOM 695 O GLN A 49 11.255 5.320 1.447 1.00 0.00 O ATOM 696 CB GLN A 49 11.163 4.776 -1.358 1.00 0.00 C ATOM 697 CG GLN A 49 11.536 4.417 -2.788 1.00 0.00 C ATOM 698 CD GLN A 49 10.967 5.390 -3.800 1.00 0.00 C ATOM 699 OE1 GLN A 49 10.262 4.996 -4.730 1.00 0.00 O ATOM 700 NE2 GLN A 49 11.269 6.672 -3.627 1.00 0.00 N ATOM 0 H GLN A 49 9.718 3.083 0.341 1.00 0.00 H new ATOM 0 HA GLN A 49 12.485 3.216 -0.700 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.083 4.908 -1.295 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.617 5.734 -1.102 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.622 4.395 -2.882 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.176 3.413 -3.012 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.856 6.956 -2.843 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.913 7.372 -4.278 1.00 0.00 H new ATOM 709 N PRO A 50 13.039 3.956 1.619 1.00 0.00 N ATOM 710 CA PRO A 50 13.503 4.505 2.895 1.00 0.00 C ATOM 711 C PRO A 50 14.052 5.921 2.752 1.00 0.00 C ATOM 712 O PRO A 50 14.171 6.654 3.732 1.00 0.00 O ATOM 713 CB PRO A 50 14.615 3.540 3.315 1.00 0.00 C ATOM 714 CG PRO A 50 15.105 2.950 2.038 1.00 0.00 C ATOM 715 CD PRO A 50 13.909 2.871 1.132 1.00 0.00 C ATOM 0 HA PRO A 50 12.694 4.586 3.621 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.414 4.061 3.843 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.238 2.770 3.988 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.888 3.568 1.598 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.534 1.962 2.204 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.186 3.016 0.088 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.417 1.901 1.200 1.00 0.00 H new ATOM 723 N GLY A 51 14.386 6.299 1.522 1.00 0.00 N ATOM 724 CA GLY A 51 14.918 7.626 1.272 1.00 0.00 C ATOM 725 C GLY A 51 13.888 8.715 1.494 1.00 0.00 C ATOM 726 O GLY A 51 14.200 9.773 2.044 1.00 0.00 O ATOM 0 H GLY A 51 14.298 5.710 0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.773 7.800 1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.284 7.680 0.247 1.00 0.00 H new ATOM 730 N LEU A 52 12.656 8.459 1.066 1.00 0.00 N ATOM 731 CA LEU A 52 11.576 9.426 1.220 1.00 0.00 C ATOM 732 C LEU A 52 11.394 9.812 2.685 1.00 0.00 C ATOM 733 O LEU A 52 11.762 9.058 3.587 1.00 0.00 O ATOM 734 CB LEU A 52 10.270 8.855 0.666 1.00 0.00 C ATOM 735 CG LEU A 52 10.112 8.895 -0.854 1.00 0.00 C ATOM 736 CD1 LEU A 52 9.273 7.721 -1.334 1.00 0.00 C ATOM 737 CD2 LEU A 52 9.488 10.213 -1.291 1.00 0.00 C ATOM 0 H LEU A 52 12.381 7.589 0.610 1.00 0.00 H new ATOM 0 HA LEU A 52 11.842 10.321 0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.182 7.819 0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.439 9.402 1.112 1.00 0.00 H new ATOM 0 HG LEU A 52 11.101 8.817 -1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.171 7.766 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.760 6.787 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.286 7.767 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.383 10.224 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.506 10.321 -0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.127 11.039 -0.980 1.00 0.00 H new ATOM 749 N LEU A 53 10.824 10.989 2.916 1.00 0.00 N ATOM 750 CA LEU A 53 10.591 11.474 4.271 1.00 0.00 C ATOM 751 C LEU A 53 9.910 10.407 5.122 1.00 0.00 C ATOM 752 O LEU A 53 9.628 9.308 4.646 1.00 0.00 O ATOM 753 CB LEU A 53 9.734 12.741 4.241 1.00 0.00 C ATOM 754 CG LEU A 53 8.275 12.555 3.821 1.00 0.00 C ATOM 755 CD1 LEU A 53 8.161 11.488 2.744 1.00 0.00 C ATOM 756 CD2 LEU A 53 7.416 12.196 5.025 1.00 0.00 C ATOM 0 H LEU A 53 10.514 11.626 2.182 1.00 0.00 H new ATOM 0 HA LEU A 53 11.558 11.707 4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.751 13.191 5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.199 13.454 3.560 1.00 0.00 H new ATOM 0 HG LEU A 53 7.912 13.497 3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.116 11.370 2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.744 11.787 1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.541 10.541 3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.381 12.067 4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.778 11.268 5.467 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.473 12.996 5.764 1.00 0.00 H new ATOM 768 N GLU A 54 9.647 10.740 6.382 1.00 0.00 N ATOM 769 CA GLU A 54 8.997 9.810 7.298 1.00 0.00 C ATOM 770 C GLU A 54 7.590 10.286 7.650 1.00 0.00 C ATOM 771 O GLU A 54 7.255 11.464 7.521 1.00 0.00 O ATOM 772 CB GLU A 54 9.828 9.652 8.573 1.00 0.00 C ATOM 773 CG GLU A 54 10.967 8.655 8.437 1.00 0.00 C ATOM 774 CD GLU A 54 12.252 9.301 7.960 1.00 0.00 C ATOM 775 OE1 GLU A 54 12.651 10.332 8.542 1.00 0.00 O ATOM 776 OE2 GLU A 54 12.862 8.776 7.005 1.00 0.00 O ATOM 0 H GLU A 54 9.874 11.646 6.791 1.00 0.00 H new ATOM 0 HA GLU A 54 8.920 8.843 6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.237 10.623 8.853 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.174 9.336 9.386 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.142 8.175 9.400 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.677 7.871 7.737 1.00 0.00 H new ATOM 783 N PRO A 55 6.745 9.348 8.104 1.00 0.00 N ATOM 784 CA PRO A 55 5.362 9.647 8.484 1.00 0.00 C ATOM 785 C PRO A 55 5.277 10.481 9.758 1.00 0.00 C ATOM 786 O PRO A 55 4.191 10.708 10.292 1.00 0.00 O ATOM 787 CB PRO A 55 4.749 8.263 8.710 1.00 0.00 C ATOM 788 CG PRO A 55 5.905 7.389 9.058 1.00 0.00 C ATOM 789 CD PRO A 55 7.077 7.925 8.284 1.00 0.00 C ATOM 0 HA PRO A 55 4.850 10.237 7.724 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.012 8.283 9.513 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.237 7.906 7.816 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.102 7.411 10.130 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.704 6.351 8.792 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.012 7.796 8.830 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.194 7.416 7.328 1.00 0.00 H new ATOM 797 N SER A 56 6.430 10.935 10.241 1.00 0.00 N ATOM 798 CA SER A 56 6.486 11.740 11.454 1.00 0.00 C ATOM 799 C SER A 56 5.234 12.601 11.594 1.00 0.00 C ATOM 800 O SER A 56 4.738 12.818 12.698 1.00 0.00 O ATOM 801 CB SER A 56 7.731 12.629 11.445 1.00 0.00 C ATOM 802 OG SER A 56 7.626 13.644 10.461 1.00 0.00 O ATOM 0 H SER A 56 7.337 10.758 9.810 1.00 0.00 H new ATOM 0 HA SER A 56 6.538 11.063 12.307 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.865 13.083 12.427 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.615 12.021 11.252 1.00 0.00 H new ATOM 0 HG SER A 56 8.433 14.200 10.477 1.00 0.00 H new ATOM 808 N GLU A 57 4.729 13.087 10.464 1.00 0.00 N ATOM 809 CA GLU A 57 3.536 13.925 10.459 1.00 0.00 C ATOM 810 C GLU A 57 2.272 13.072 10.394 1.00 0.00 C ATOM 811 O GLU A 57 1.295 13.334 11.097 1.00 0.00 O ATOM 812 CB GLU A 57 3.571 14.895 9.277 1.00 0.00 C ATOM 813 CG GLU A 57 4.810 15.773 9.247 1.00 0.00 C ATOM 814 CD GLU A 57 5.075 16.363 7.875 1.00 0.00 C ATOM 815 OE1 GLU A 57 4.499 17.427 7.567 1.00 0.00 O ATOM 816 OE2 GLU A 57 5.856 15.760 7.110 1.00 0.00 O ATOM 0 H GLU A 57 5.128 12.915 9.541 1.00 0.00 H new ATOM 0 HA GLU A 57 3.521 14.496 11.387 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.517 14.326 8.349 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.686 15.531 9.313 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.696 16.581 9.970 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.674 15.186 9.559 1.00 0.00 H new ATOM 823 N LEU A 58 2.299 12.051 9.544 1.00 0.00 N ATOM 824 CA LEU A 58 1.156 11.157 9.387 1.00 0.00 C ATOM 825 C LEU A 58 0.722 10.585 10.731 1.00 0.00 C ATOM 826 O LEU A 58 -0.440 10.223 10.916 1.00 0.00 O ATOM 827 CB LEU A 58 1.501 10.021 8.422 1.00 0.00 C ATOM 828 CG LEU A 58 1.259 10.302 6.939 1.00 0.00 C ATOM 829 CD1 LEU A 58 2.145 11.440 6.459 1.00 0.00 C ATOM 830 CD2 LEU A 58 1.501 9.049 6.111 1.00 0.00 C ATOM 0 H LEU A 58 3.099 11.822 8.954 1.00 0.00 H new ATOM 0 HA LEU A 58 0.328 11.735 8.977 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.552 9.765 8.556 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.920 9.143 8.704 1.00 0.00 H new ATOM 0 HG LEU A 58 0.219 10.601 6.812 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.958 11.625 5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.921 12.341 7.030 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.192 11.171 6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.324 9.269 5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.531 8.718 6.244 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.822 8.261 6.436 1.00 0.00 H new ATOM 842 N GLN A 59 1.663 10.506 11.667 1.00 0.00 N ATOM 843 CA GLN A 59 1.375 9.978 12.995 1.00 0.00 C ATOM 844 C GLN A 59 0.178 10.688 13.616 1.00 0.00 C ATOM 845 O GLN A 59 -0.678 10.058 14.235 1.00 0.00 O ATOM 846 CB GLN A 59 2.599 10.128 13.902 1.00 0.00 C ATOM 847 CG GLN A 59 3.734 9.178 13.553 1.00 0.00 C ATOM 848 CD GLN A 59 4.751 9.051 14.670 1.00 0.00 C ATOM 849 OE1 GLN A 59 4.780 9.864 15.596 1.00 0.00 O ATOM 850 NE2 GLN A 59 5.595 8.029 14.589 1.00 0.00 N ATOM 0 H GLN A 59 2.630 10.801 11.530 1.00 0.00 H new ATOM 0 HA GLN A 59 1.133 8.920 12.893 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.963 11.154 13.841 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.298 9.957 14.936 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.323 8.194 13.327 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.233 9.530 12.650 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.536 7.379 13.805 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.303 7.893 15.311 1.00 0.00 H new ATOM 859 N GLY A 60 0.125 12.007 13.448 1.00 0.00 N ATOM 860 CA GLY A 60 -0.972 12.781 13.999 1.00 0.00 C ATOM 861 C GLY A 60 -1.902 13.313 12.927 1.00 0.00 C ATOM 862 O GLY A 60 -2.291 14.482 12.956 1.00 0.00 O ATOM 0 H GLY A 60 0.822 12.552 12.941 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.539 12.159 14.692 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.571 13.615 14.574 1.00 0.00 H new ATOM 866 N LEU A 61 -2.258 12.455 11.977 1.00 0.00 N ATOM 867 CA LEU A 61 -3.147 12.846 10.889 1.00 0.00 C ATOM 868 C LEU A 61 -4.394 11.967 10.862 1.00 0.00 C ATOM 869 O LEU A 61 -4.389 10.849 11.376 1.00 0.00 O ATOM 870 CB LEU A 61 -2.416 12.754 9.549 1.00 0.00 C ATOM 871 CG LEU A 61 -1.575 13.971 9.158 1.00 0.00 C ATOM 872 CD1 LEU A 61 -0.851 13.719 7.844 1.00 0.00 C ATOM 873 CD2 LEU A 61 -2.449 15.213 9.060 1.00 0.00 C ATOM 0 H LEU A 61 -1.945 11.485 11.938 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.455 13.878 11.058 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.765 11.880 9.572 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.154 12.581 8.766 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.828 14.138 9.934 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.258 14.595 7.582 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.195 12.855 7.950 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.581 13.526 7.058 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.835 16.069 8.781 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.219 15.057 8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.920 15.403 10.024 1.00 0.00 H new ATOM 885 N GLY A 62 -5.461 12.480 10.257 1.00 0.00 N ATOM 886 CA GLY A 62 -6.700 11.728 10.173 1.00 0.00 C ATOM 887 C GLY A 62 -6.572 10.498 9.296 1.00 0.00 C ATOM 888 O GLY A 62 -5.653 10.399 8.484 1.00 0.00 O ATOM 0 H GLY A 62 -5.490 13.403 9.824 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.007 11.426 11.174 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.486 12.372 9.779 1.00 0.00 H new ATOM 892 N ALA A 63 -7.495 9.556 9.463 1.00 0.00 N ATOM 893 CA ALA A 63 -7.482 8.327 8.681 1.00 0.00 C ATOM 894 C ALA A 63 -7.319 8.624 7.194 1.00 0.00 C ATOM 895 O ALA A 63 -6.734 7.834 6.452 1.00 0.00 O ATOM 896 CB ALA A 63 -8.755 7.531 8.927 1.00 0.00 C ATOM 0 H ALA A 63 -8.261 9.621 10.133 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.627 7.731 9.001 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.731 6.615 8.336 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.828 7.279 9.985 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.619 8.128 8.636 1.00 0.00 H new ATOM 902 N LEU A 64 -7.843 9.767 6.764 1.00 0.00 N ATOM 903 CA LEU A 64 -7.758 10.168 5.364 1.00 0.00 C ATOM 904 C LEU A 64 -6.439 10.879 5.082 1.00 0.00 C ATOM 905 O LEU A 64 -5.702 10.501 4.171 1.00 0.00 O ATOM 906 CB LEU A 64 -8.930 11.081 5.001 1.00 0.00 C ATOM 907 CG LEU A 64 -9.425 10.999 3.557 1.00 0.00 C ATOM 908 CD1 LEU A 64 -9.789 9.566 3.198 1.00 0.00 C ATOM 909 CD2 LEU A 64 -10.615 11.922 3.348 1.00 0.00 C ATOM 0 H LEU A 64 -8.331 10.432 7.364 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.804 9.268 4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.764 10.848 5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.638 12.111 5.206 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.620 11.323 2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.139 9.527 2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.911 8.929 3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.578 9.214 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.954 11.850 2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.425 11.629 4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.321 12.949 3.563 1.00 0.00 H new ATOM 921 N GLU A 65 -6.146 11.909 5.869 1.00 0.00 N ATOM 922 CA GLU A 65 -4.915 12.672 5.704 1.00 0.00 C ATOM 923 C GLU A 65 -3.745 11.750 5.375 1.00 0.00 C ATOM 924 O GLU A 65 -2.820 12.135 4.659 1.00 0.00 O ATOM 925 CB GLU A 65 -4.609 13.470 6.972 1.00 0.00 C ATOM 926 CG GLU A 65 -5.334 14.804 7.042 1.00 0.00 C ATOM 927 CD GLU A 65 -4.843 15.790 6.000 1.00 0.00 C ATOM 928 OE1 GLU A 65 -3.623 16.054 5.960 1.00 0.00 O ATOM 929 OE2 GLU A 65 -5.679 16.297 5.222 1.00 0.00 O ATOM 0 H GLU A 65 -6.745 12.234 6.628 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.055 13.364 4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.881 12.872 7.842 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.535 13.646 7.030 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.403 14.640 6.906 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.201 15.234 8.035 1.00 0.00 H new ATOM 936 N ALA A 66 -3.791 10.532 5.904 1.00 0.00 N ATOM 937 CA ALA A 66 -2.737 9.555 5.667 1.00 0.00 C ATOM 938 C ALA A 66 -2.746 9.077 4.219 1.00 0.00 C ATOM 939 O ALA A 66 -1.853 9.411 3.438 1.00 0.00 O ATOM 940 CB ALA A 66 -2.888 8.374 6.614 1.00 0.00 C ATOM 0 H ALA A 66 -4.548 10.198 6.500 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.779 10.039 5.857 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.093 7.652 6.425 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.823 8.723 7.644 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.856 7.899 6.452 1.00 0.00 H new ATOM 946 N THR A 67 -3.760 8.295 3.864 1.00 0.00 N ATOM 947 CA THR A 67 -3.884 7.771 2.510 1.00 0.00 C ATOM 948 C THR A 67 -3.519 8.829 1.475 1.00 0.00 C ATOM 949 O THR A 67 -2.940 8.519 0.435 1.00 0.00 O ATOM 950 CB THR A 67 -5.313 7.268 2.232 1.00 0.00 C ATOM 951 OG1 THR A 67 -5.753 6.424 3.302 1.00 0.00 O ATOM 952 CG2 THR A 67 -5.371 6.501 0.918 1.00 0.00 C ATOM 0 H THR A 67 -4.508 8.010 4.496 1.00 0.00 H new ATOM 0 HA THR A 67 -3.190 6.934 2.430 1.00 0.00 H new ATOM 0 HB THR A 67 -5.971 8.134 2.159 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.126 5.596 2.933 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.390 6.156 0.743 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.064 7.154 0.101 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.701 5.643 0.968 1.00 0.00 H new ATOM 960 N ALA A 68 -3.862 10.079 1.768 1.00 0.00 N ATOM 961 CA ALA A 68 -3.567 11.183 0.864 1.00 0.00 C ATOM 962 C ALA A 68 -2.091 11.198 0.478 1.00 0.00 C ATOM 963 O ALA A 68 -1.750 11.227 -0.705 1.00 0.00 O ATOM 964 CB ALA A 68 -3.961 12.507 1.501 1.00 0.00 C ATOM 0 H ALA A 68 -4.344 10.352 2.624 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.152 11.041 -0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.735 13.323 0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.029 12.502 1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.402 12.646 2.426 1.00 0.00 H new ATOM 970 N TRP A 69 -1.223 11.179 1.482 1.00 0.00 N ATOM 971 CA TRP A 69 0.217 11.191 1.247 1.00 0.00 C ATOM 972 C TRP A 69 0.643 9.990 0.410 1.00 0.00 C ATOM 973 O TRP A 69 1.268 10.143 -0.639 1.00 0.00 O ATOM 974 CB TRP A 69 0.972 11.194 2.576 1.00 0.00 C ATOM 975 CG TRP A 69 2.455 11.041 2.418 1.00 0.00 C ATOM 976 CD1 TRP A 69 3.361 12.034 2.183 1.00 0.00 C ATOM 977 CD2 TRP A 69 3.201 9.820 2.483 1.00 0.00 C ATOM 978 NE1 TRP A 69 4.627 11.506 2.097 1.00 0.00 N ATOM 979 CE2 TRP A 69 4.556 10.150 2.279 1.00 0.00 C ATOM 980 CE3 TRP A 69 2.858 8.483 2.696 1.00 0.00 C ATOM 981 CZ2 TRP A 69 5.563 9.189 2.279 1.00 0.00 C ATOM 982 CZ3 TRP A 69 3.858 7.530 2.696 1.00 0.00 C ATOM 983 CH2 TRP A 69 5.198 7.887 2.490 1.00 0.00 C ATOM 0 H TRP A 69 -1.490 11.155 2.466 1.00 0.00 H new ATOM 0 HA TRP A 69 0.461 12.099 0.696 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.764 12.126 3.101 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.595 10.385 3.201 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.119 13.081 2.080 1.00 0.00 H new ATOM 0 HE1 TRP A 69 5.481 12.037 1.926 1.00 0.00 H new ATOM 0 HE3 TRP A 69 1.829 8.199 2.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.596 9.461 2.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.603 6.493 2.857 1.00 0.00 H new ATOM 0 HH2 TRP A 69 5.957 7.119 2.498 1.00 0.00 H new ATOM 994 N ALA A 70 0.299 8.795 0.880 1.00 0.00 N ATOM 995 CA ALA A 70 0.644 7.568 0.173 1.00 0.00 C ATOM 996 C ALA A 70 0.375 7.702 -1.322 1.00 0.00 C ATOM 997 O ALA A 70 1.277 7.530 -2.143 1.00 0.00 O ATOM 998 CB ALA A 70 -0.133 6.392 0.748 1.00 0.00 C ATOM 0 H ALA A 70 -0.218 8.651 1.747 1.00 0.00 H new ATOM 0 HA ALA A 70 1.710 7.387 0.309 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.134 5.482 0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.112 6.275 1.804 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.202 6.575 0.642 1.00 0.00 H new ATOM 1004 N LEU A 71 -0.870 8.008 -1.669 1.00 0.00 N ATOM 1005 CA LEU A 71 -1.258 8.165 -3.067 1.00 0.00 C ATOM 1006 C LEU A 71 -0.354 9.171 -3.774 1.00 0.00 C ATOM 1007 O LEU A 71 -0.169 9.109 -4.990 1.00 0.00 O ATOM 1008 CB LEU A 71 -2.717 8.615 -3.165 1.00 0.00 C ATOM 1009 CG LEU A 71 -3.769 7.560 -2.828 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -5.115 8.214 -2.555 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -3.887 6.545 -3.958 1.00 0.00 C ATOM 0 H LEU A 71 -1.628 8.152 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.149 7.199 -3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.859 9.466 -2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.899 8.970 -4.179 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.454 7.036 -1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.851 7.446 -2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.022 8.901 -1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.438 8.765 -3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.641 5.801 -3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.179 7.055 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.926 6.052 -4.106 1.00 0.00 H new ATOM 1023 N LYS A 72 0.207 10.096 -3.004 1.00 0.00 N ATOM 1024 CA LYS A 72 1.095 11.114 -3.554 1.00 0.00 C ATOM 1025 C LYS A 72 2.502 10.560 -3.749 1.00 0.00 C ATOM 1026 O LYS A 72 2.963 10.392 -4.879 1.00 0.00 O ATOM 1027 CB LYS A 72 1.138 12.335 -2.631 1.00 0.00 C ATOM 1028 CG LYS A 72 1.638 13.595 -3.314 1.00 0.00 C ATOM 1029 CD LYS A 72 2.059 14.648 -2.303 1.00 0.00 C ATOM 1030 CE LYS A 72 2.117 16.033 -2.930 1.00 0.00 C ATOM 1031 NZ LYS A 72 3.435 16.297 -3.571 1.00 0.00 N ATOM 0 H LYS A 72 0.063 10.162 -1.996 1.00 0.00 H new ATOM 0 HA LYS A 72 0.705 11.415 -4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.138 12.518 -2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.781 12.114 -1.779 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.482 13.350 -3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.854 13.998 -3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.357 14.654 -1.469 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.036 14.391 -1.895 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.326 16.128 -3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.928 16.786 -2.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.312 16.973 -4.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.090 16.695 -2.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.825 15.407 -3.942 1.00 0.00 H new ATOM 1045 N VAL A 73 3.181 10.279 -2.641 1.00 0.00 N ATOM 1046 CA VAL A 73 4.536 9.741 -2.691 1.00 0.00 C ATOM 1047 C VAL A 73 4.601 8.494 -3.566 1.00 0.00 C ATOM 1048 O VAL A 73 5.676 8.085 -4.002 1.00 0.00 O ATOM 1049 CB VAL A 73 5.054 9.394 -1.282 1.00 0.00 C ATOM 1050 CG1 VAL A 73 6.342 8.589 -1.370 1.00 0.00 C ATOM 1051 CG2 VAL A 73 5.263 10.661 -0.466 1.00 0.00 C ATOM 0 H VAL A 73 2.815 10.415 -1.698 1.00 0.00 H new ATOM 0 HA VAL A 73 5.169 10.517 -3.122 1.00 0.00 H new ATOM 0 HB VAL A 73 4.305 8.783 -0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.693 8.353 -0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.156 7.664 -1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.101 9.172 -1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.629 10.398 0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.993 11.299 -0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.317 11.195 -0.374 1.00 0.00 H new ATOM 1061 N ALA A 74 3.442 7.895 -3.820 1.00 0.00 N ATOM 1062 CA ALA A 74 3.367 6.696 -4.645 1.00 0.00 C ATOM 1063 C ALA A 74 3.241 7.053 -6.121 1.00 0.00 C ATOM 1064 O ALA A 74 3.793 6.370 -6.984 1.00 0.00 O ATOM 1065 CB ALA A 74 2.197 5.828 -4.207 1.00 0.00 C ATOM 0 H ALA A 74 2.542 8.221 -3.466 1.00 0.00 H new ATOM 0 HA ALA A 74 4.292 6.134 -4.513 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.152 4.936 -4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.331 5.536 -3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.269 6.390 -4.310 1.00 0.00 H new ATOM 1071 N GLU A 75 2.509 8.125 -6.406 1.00 0.00 N ATOM 1072 CA GLU A 75 2.310 8.572 -7.780 1.00 0.00 C ATOM 1073 C GLU A 75 3.485 9.424 -8.251 1.00 0.00 C ATOM 1074 O GLU A 75 3.672 9.632 -9.449 1.00 0.00 O ATOM 1075 CB GLU A 75 1.008 9.367 -7.898 1.00 0.00 C ATOM 1076 CG GLU A 75 0.754 9.915 -9.292 1.00 0.00 C ATOM 1077 CD GLU A 75 1.416 11.260 -9.520 1.00 0.00 C ATOM 1078 OE1 GLU A 75 1.514 12.045 -8.554 1.00 0.00 O ATOM 1079 OE2 GLU A 75 1.837 11.527 -10.665 1.00 0.00 O ATOM 0 H GLU A 75 2.044 8.700 -5.704 1.00 0.00 H new ATOM 0 HA GLU A 75 2.246 7.689 -8.416 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.174 8.727 -7.611 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.032 10.195 -7.190 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.122 9.203 -10.031 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.320 10.012 -9.450 1.00 0.00 H new ATOM 1086 N ASN A 76 4.272 9.914 -7.300 1.00 0.00 N ATOM 1087 CA ASN A 76 5.428 10.745 -7.617 1.00 0.00 C ATOM 1088 C ASN A 76 6.694 9.899 -7.714 1.00 0.00 C ATOM 1089 O ASN A 76 7.287 9.772 -8.784 1.00 0.00 O ATOM 1090 CB ASN A 76 5.606 11.832 -6.556 1.00 0.00 C ATOM 1091 CG ASN A 76 4.634 12.982 -6.737 1.00 0.00 C ATOM 1092 OD1 ASN A 76 4.318 13.371 -7.862 1.00 0.00 O ATOM 1093 ND2 ASN A 76 4.152 13.530 -5.627 1.00 0.00 N ATOM 0 H ASN A 76 4.131 9.750 -6.303 1.00 0.00 H new ATOM 0 HA ASN A 76 5.253 11.217 -8.584 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.468 11.396 -5.567 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.627 12.213 -6.597 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.492 14.306 -5.686 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.442 13.175 -4.716 1.00 0.00 H new ATOM 1100 N GLU A 77 7.103 9.325 -6.586 1.00 0.00 N ATOM 1101 CA GLU A 77 8.300 8.492 -6.544 1.00 0.00 C ATOM 1102 C GLU A 77 8.072 7.174 -7.280 1.00 0.00 C ATOM 1103 O GLU A 77 8.688 6.912 -8.314 1.00 0.00 O ATOM 1104 CB GLU A 77 8.706 8.217 -5.096 1.00 0.00 C ATOM 1105 CG GLU A 77 9.668 9.246 -4.526 1.00 0.00 C ATOM 1106 CD GLU A 77 10.969 9.319 -5.300 1.00 0.00 C ATOM 1107 OE1 GLU A 77 11.000 9.997 -6.348 1.00 0.00 O ATOM 1108 OE2 GLU A 77 11.958 8.697 -4.857 1.00 0.00 O ATOM 0 H GLU A 77 6.624 9.421 -5.691 1.00 0.00 H new ATOM 0 HA GLU A 77 9.105 9.032 -7.043 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.810 8.188 -4.476 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.166 7.231 -5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.191 10.226 -4.531 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.882 9.001 -3.486 1.00 0.00 H new ATOM 1115 N LEU A 78 7.183 6.348 -6.739 1.00 0.00 N ATOM 1116 CA LEU A 78 6.873 5.056 -7.343 1.00 0.00 C ATOM 1117 C LEU A 78 6.183 5.237 -8.691 1.00 0.00 C ATOM 1118 O LEU A 78 6.200 4.341 -9.534 1.00 0.00 O ATOM 1119 CB LEU A 78 5.984 4.235 -6.408 1.00 0.00 C ATOM 1120 CG LEU A 78 6.308 4.331 -4.917 1.00 0.00 C ATOM 1121 CD1 LEU A 78 5.348 3.475 -4.106 1.00 0.00 C ATOM 1122 CD2 LEU A 78 7.747 3.916 -4.656 1.00 0.00 C ATOM 0 H LEU A 78 6.664 6.549 -5.884 1.00 0.00 H new ATOM 0 HA LEU A 78 7.810 4.523 -7.504 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.950 4.547 -6.555 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.046 3.188 -6.706 1.00 0.00 H new ATOM 0 HG LEU A 78 6.189 5.369 -4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.594 3.556 -3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.327 3.820 -4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.434 2.435 -4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.959 3.991 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.894 2.887 -4.984 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.421 4.572 -5.207 1.00 0.00 H new ATOM 1134 N GLY A 79 5.579 6.404 -8.889 1.00 0.00 N ATOM 1135 CA GLY A 79 4.894 6.682 -10.138 1.00 0.00 C ATOM 1136 C GLY A 79 3.647 5.838 -10.315 1.00 0.00 C ATOM 1137 O GLY A 79 3.079 5.782 -11.406 1.00 0.00 O ATOM 0 H GLY A 79 5.552 7.162 -8.207 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.623 7.737 -10.173 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.574 6.500 -10.970 1.00 0.00 H new ATOM 1141 N ILE A 80 3.221 5.181 -9.242 1.00 0.00 N ATOM 1142 CA ILE A 80 2.035 4.337 -9.285 1.00 0.00 C ATOM 1143 C ILE A 80 0.763 5.176 -9.338 1.00 0.00 C ATOM 1144 O ILE A 80 0.201 5.541 -8.304 1.00 0.00 O ATOM 1145 CB ILE A 80 1.966 3.400 -8.065 1.00 0.00 C ATOM 1146 CG1 ILE A 80 3.194 2.487 -8.026 1.00 0.00 C ATOM 1147 CG2 ILE A 80 0.688 2.575 -8.101 1.00 0.00 C ATOM 1148 CD1 ILE A 80 3.219 1.460 -9.136 1.00 0.00 C ATOM 0 H ILE A 80 3.680 5.217 -8.332 1.00 0.00 H new ATOM 0 HA ILE A 80 2.109 3.736 -10.192 1.00 0.00 H new ATOM 0 HB ILE A 80 1.958 4.007 -7.160 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.094 3.099 -8.088 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.224 1.973 -7.065 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.654 1.918 -7.232 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.175 3.240 -8.086 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.668 1.975 -9.011 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.117 0.849 -9.046 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.337 0.823 -9.062 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.221 1.967 -10.101 1.00 0.00 H new ATOM 1160 N THR A 81 0.311 5.481 -10.551 1.00 0.00 N ATOM 1161 CA THR A 81 -0.894 6.278 -10.740 1.00 0.00 C ATOM 1162 C THR A 81 -2.001 5.833 -9.791 1.00 0.00 C ATOM 1163 O THR A 81 -2.282 4.645 -9.639 1.00 0.00 O ATOM 1164 CB THR A 81 -1.408 6.184 -12.189 1.00 0.00 C ATOM 1165 OG1 THR A 81 -0.607 7.005 -13.047 1.00 0.00 O ATOM 1166 CG2 THR A 81 -2.864 6.620 -12.276 1.00 0.00 C ATOM 0 H THR A 81 0.762 5.187 -11.417 1.00 0.00 H new ATOM 0 HA THR A 81 -0.626 7.312 -10.523 1.00 0.00 H new ATOM 0 HB THR A 81 -1.336 5.145 -12.510 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.939 6.939 -13.967 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.205 6.545 -13.309 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.475 5.975 -11.644 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.956 7.652 -11.937 1.00 0.00 H new ATOM 1174 N PRO A 82 -2.648 6.810 -9.136 1.00 0.00 N ATOM 1175 CA PRO A 82 -3.736 6.543 -8.190 1.00 0.00 C ATOM 1176 C PRO A 82 -4.997 6.040 -8.885 1.00 0.00 C ATOM 1177 O PRO A 82 -5.738 6.817 -9.488 1.00 0.00 O ATOM 1178 CB PRO A 82 -3.989 7.908 -7.546 1.00 0.00 C ATOM 1179 CG PRO A 82 -3.522 8.897 -8.558 1.00 0.00 C ATOM 1180 CD PRO A 82 -2.366 8.250 -9.268 1.00 0.00 C ATOM 0 HA PRO A 82 -3.474 5.762 -7.476 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.045 8.047 -7.315 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.441 8.011 -6.609 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.320 9.145 -9.258 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.215 9.828 -8.081 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.314 8.555 -10.313 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.413 8.517 -8.811 1.00 0.00 H new ATOM 1188 N VAL A 83 -5.235 4.736 -8.797 1.00 0.00 N ATOM 1189 CA VAL A 83 -6.408 4.129 -9.415 1.00 0.00 C ATOM 1190 C VAL A 83 -7.657 4.368 -8.576 1.00 0.00 C ATOM 1191 O VAL A 83 -8.764 4.469 -9.106 1.00 0.00 O ATOM 1192 CB VAL A 83 -6.217 2.614 -9.614 1.00 0.00 C ATOM 1193 CG1 VAL A 83 -6.540 1.863 -8.332 1.00 0.00 C ATOM 1194 CG2 VAL A 83 -7.078 2.115 -10.765 1.00 0.00 C ATOM 0 H VAL A 83 -4.631 4.079 -8.303 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.533 4.602 -10.389 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.173 2.427 -9.864 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.400 0.794 -8.491 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.877 2.201 -7.535 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.575 2.055 -8.049 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.930 1.042 -10.891 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.127 2.314 -10.547 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.794 2.631 -11.682 1.00 0.00 H new ATOM 1204 N VAL A 84 -7.473 4.458 -7.262 1.00 0.00 N ATOM 1205 CA VAL A 84 -8.585 4.687 -6.348 1.00 0.00 C ATOM 1206 C VAL A 84 -8.458 6.039 -5.655 1.00 0.00 C ATOM 1207 O VAL A 84 -7.352 6.525 -5.419 1.00 0.00 O ATOM 1208 CB VAL A 84 -8.671 3.580 -5.281 1.00 0.00 C ATOM 1209 CG1 VAL A 84 -9.704 3.937 -4.223 1.00 0.00 C ATOM 1210 CG2 VAL A 84 -8.997 2.242 -5.926 1.00 0.00 C ATOM 0 H VAL A 84 -6.564 4.376 -6.807 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.495 4.675 -6.947 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.700 3.495 -4.793 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.751 3.143 -3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.422 4.872 -3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.681 4.052 -4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.054 1.472 -5.157 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.955 2.311 -6.442 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.217 1.983 -6.642 1.00 0.00 H new ATOM 1220 N SER A 85 -9.597 6.641 -5.330 1.00 0.00 N ATOM 1221 CA SER A 85 -9.613 7.939 -4.665 1.00 0.00 C ATOM 1222 C SER A 85 -9.395 7.783 -3.164 1.00 0.00 C ATOM 1223 O SER A 85 -10.100 7.025 -2.499 1.00 0.00 O ATOM 1224 CB SER A 85 -10.941 8.654 -4.929 1.00 0.00 C ATOM 1225 OG SER A 85 -10.951 9.255 -6.212 1.00 0.00 O ATOM 0 H SER A 85 -10.521 6.251 -5.516 1.00 0.00 H new ATOM 0 HA SER A 85 -8.799 8.539 -5.071 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.763 7.942 -4.851 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.106 9.415 -4.166 1.00 0.00 H new ATOM 0 HG SER A 85 -11.810 9.703 -6.357 1.00 0.00 H new ATOM 1231 N ALA A 86 -8.414 8.507 -2.637 1.00 0.00 N ATOM 1232 CA ALA A 86 -8.103 8.452 -1.214 1.00 0.00 C ATOM 1233 C ALA A 86 -9.366 8.256 -0.383 1.00 0.00 C ATOM 1234 O ALA A 86 -9.340 7.601 0.658 1.00 0.00 O ATOM 1235 CB ALA A 86 -7.376 9.718 -0.782 1.00 0.00 C ATOM 0 H ALA A 86 -7.820 9.139 -3.174 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.451 7.596 -1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.150 9.663 0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.448 9.815 -1.345 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.009 10.584 -0.974 1.00 0.00 H new ATOM 1241 N GLN A 87 -10.471 8.830 -0.850 1.00 0.00 N ATOM 1242 CA GLN A 87 -11.744 8.718 -0.148 1.00 0.00 C ATOM 1243 C GLN A 87 -12.259 7.284 -0.178 1.00 0.00 C ATOM 1244 O GLN A 87 -12.567 6.702 0.862 1.00 0.00 O ATOM 1245 CB GLN A 87 -12.779 9.658 -0.772 1.00 0.00 C ATOM 1246 CG GLN A 87 -14.190 9.437 -0.253 1.00 0.00 C ATOM 1247 CD GLN A 87 -14.959 8.415 -1.066 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -15.014 7.237 -0.712 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -15.559 8.861 -2.163 1.00 0.00 N ATOM 0 H GLN A 87 -10.510 9.376 -1.710 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.583 9.004 0.891 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.486 10.689 -0.576 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.773 9.525 -1.854 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.143 9.109 0.785 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.729 10.384 -0.264 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.487 9.846 -2.419 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -16.092 8.219 -2.750 1.00 0.00 H new ATOM 1258 N ALA A 88 -12.349 6.718 -1.378 1.00 0.00 N ATOM 1259 CA ALA A 88 -12.825 5.350 -1.542 1.00 0.00 C ATOM 1260 C ALA A 88 -12.003 4.377 -0.704 1.00 0.00 C ATOM 1261 O ALA A 88 -12.551 3.497 -0.041 1.00 0.00 O ATOM 1262 CB ALA A 88 -12.783 4.950 -3.010 1.00 0.00 C ATOM 0 H ALA A 88 -12.099 7.185 -2.249 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.857 5.307 -1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.141 3.926 -3.119 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.419 5.620 -3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.759 5.017 -3.376 1.00 0.00 H new ATOM 1268 N VAL A 89 -10.684 4.541 -0.738 1.00 0.00 N ATOM 1269 CA VAL A 89 -9.787 3.679 0.020 1.00 0.00 C ATOM 1270 C VAL A 89 -10.248 3.541 1.466 1.00 0.00 C ATOM 1271 O VAL A 89 -10.412 2.432 1.974 1.00 0.00 O ATOM 1272 CB VAL A 89 -8.343 4.216 0.001 1.00 0.00 C ATOM 1273 CG1 VAL A 89 -7.438 3.348 0.863 1.00 0.00 C ATOM 1274 CG2 VAL A 89 -7.822 4.293 -1.426 1.00 0.00 C ATOM 0 H VAL A 89 -10.214 5.264 -1.283 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.809 2.700 -0.459 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.343 5.223 0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.422 3.743 0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.802 3.351 1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.440 2.328 0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.801 4.674 -1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.836 3.299 -1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.456 4.961 -2.009 1.00 0.00 H new ATOM 1284 N VAL A 90 -10.455 4.676 2.127 1.00 0.00 N ATOM 1285 CA VAL A 90 -10.898 4.683 3.515 1.00 0.00 C ATOM 1286 C VAL A 90 -12.361 4.267 3.627 1.00 0.00 C ATOM 1287 O VAL A 90 -12.702 3.352 4.375 1.00 0.00 O ATOM 1288 CB VAL A 90 -10.720 6.072 4.155 1.00 0.00 C ATOM 1289 CG1 VAL A 90 -11.169 6.053 5.609 1.00 0.00 C ATOM 1290 CG2 VAL A 90 -9.273 6.529 4.041 1.00 0.00 C ATOM 0 H VAL A 90 -10.323 5.603 1.722 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.277 3.964 4.049 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.346 6.784 3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.036 7.043 6.044 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.221 5.772 5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.573 5.329 6.165 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.165 7.512 4.498 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.625 5.817 4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.991 6.585 2.990 1.00 0.00 H new ATOM 1300 N ALA A 91 -13.221 4.947 2.876 1.00 0.00 N ATOM 1301 CA ALA A 91 -14.648 4.648 2.888 1.00 0.00 C ATOM 1302 C ALA A 91 -14.898 3.155 2.701 1.00 0.00 C ATOM 1303 O ALA A 91 -15.979 2.654 3.004 1.00 0.00 O ATOM 1304 CB ALA A 91 -15.364 5.444 1.807 1.00 0.00 C ATOM 0 H ALA A 91 -12.955 5.708 2.252 1.00 0.00 H new ATOM 0 HA ALA A 91 -15.046 4.938 3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.428 5.210 1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -15.223 6.510 1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -14.954 5.183 0.831 1.00 0.00 H new ATOM 1310 N GLY A 92 -13.888 2.450 2.199 1.00 0.00 N ATOM 1311 CA GLY A 92 -14.019 1.021 1.979 1.00 0.00 C ATOM 1312 C GLY A 92 -15.211 0.675 1.109 1.00 0.00 C ATOM 1313 O GLY A 92 -15.650 -0.474 1.075 1.00 0.00 O ATOM 0 H GLY A 92 -12.983 2.842 1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.110 0.644 1.511 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.116 0.516 2.940 1.00 0.00 H new ATOM 1317 N SER A 93 -15.738 1.672 0.406 1.00 0.00 N ATOM 1318 CA SER A 93 -16.890 1.468 -0.465 1.00 0.00 C ATOM 1319 C SER A 93 -16.458 0.904 -1.815 1.00 0.00 C ATOM 1320 O SER A 93 -17.292 0.502 -2.627 1.00 0.00 O ATOM 1321 CB SER A 93 -17.642 2.785 -0.667 1.00 0.00 C ATOM 1322 OG SER A 93 -18.647 2.955 0.318 1.00 0.00 O ATOM 0 H SER A 93 -15.386 2.629 0.422 1.00 0.00 H new ATOM 0 HA SER A 93 -17.554 0.748 0.014 1.00 0.00 H new ATOM 0 HB2 SER A 93 -16.941 3.618 -0.623 1.00 0.00 H new ATOM 0 HB3 SER A 93 -18.094 2.801 -1.659 1.00 0.00 H new ATOM 0 HG SER A 93 -19.112 3.805 0.168 1.00 0.00 H new ATOM 1328 N ASP A 94 -15.150 0.879 -2.047 1.00 0.00 N ATOM 1329 CA ASP A 94 -14.606 0.362 -3.298 1.00 0.00 C ATOM 1330 C ASP A 94 -13.425 -0.566 -3.034 1.00 0.00 C ATOM 1331 O ASP A 94 -12.265 -0.154 -3.041 1.00 0.00 O ATOM 1332 CB ASP A 94 -14.171 1.516 -4.204 1.00 0.00 C ATOM 1333 CG ASP A 94 -15.193 2.636 -4.245 1.00 0.00 C ATOM 1334 OD1 ASP A 94 -15.292 3.386 -3.251 1.00 0.00 O ATOM 1335 OD2 ASP A 94 -15.891 2.764 -5.272 1.00 0.00 O ATOM 0 H ASP A 94 -14.447 1.210 -1.386 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.388 -0.208 -3.798 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.218 1.911 -3.853 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -14.008 1.140 -5.214 1.00 0.00 H new ATOM 1340 N PRO A 95 -13.725 -1.851 -2.796 1.00 0.00 N ATOM 1341 CA PRO A 95 -12.702 -2.866 -2.525 1.00 0.00 C ATOM 1342 C PRO A 95 -11.865 -3.189 -3.758 1.00 0.00 C ATOM 1343 O PRO A 95 -10.634 -3.174 -3.706 1.00 0.00 O ATOM 1344 CB PRO A 95 -13.519 -4.089 -2.099 1.00 0.00 C ATOM 1345 CG PRO A 95 -14.849 -3.899 -2.742 1.00 0.00 C ATOM 1346 CD PRO A 95 -15.086 -2.414 -2.772 1.00 0.00 C ATOM 0 HA PRO A 95 -11.986 -2.532 -1.774 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.048 -5.015 -2.430 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.608 -4.147 -1.014 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.859 -4.316 -3.749 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.631 -4.408 -2.179 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.659 -2.116 -3.650 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -15.644 -2.079 -1.898 1.00 0.00 H new ATOM 1354 N LEU A 96 -12.538 -3.480 -4.864 1.00 0.00 N ATOM 1355 CA LEU A 96 -11.856 -3.805 -6.112 1.00 0.00 C ATOM 1356 C LEU A 96 -10.766 -2.783 -6.420 1.00 0.00 C ATOM 1357 O LEU A 96 -9.617 -3.142 -6.673 1.00 0.00 O ATOM 1358 CB LEU A 96 -12.858 -3.862 -7.266 1.00 0.00 C ATOM 1359 CG LEU A 96 -13.776 -5.084 -7.299 1.00 0.00 C ATOM 1360 CD1 LEU A 96 -15.025 -4.838 -6.465 1.00 0.00 C ATOM 1361 CD2 LEU A 96 -14.150 -5.432 -8.733 1.00 0.00 C ATOM 0 H LEU A 96 -13.556 -3.498 -4.923 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.389 -4.783 -5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.479 -2.967 -7.226 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.304 -3.824 -8.204 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.238 -5.929 -6.869 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.666 -5.719 -6.501 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -14.739 -4.639 -5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.566 -3.980 -6.864 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -14.804 -6.304 -8.737 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -14.668 -4.588 -9.189 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.246 -5.653 -9.301 1.00 0.00 H new ATOM 1373 N GLY A 97 -11.135 -1.506 -6.394 1.00 0.00 N ATOM 1374 CA GLY A 97 -10.177 -0.452 -6.670 1.00 0.00 C ATOM 1375 C GLY A 97 -8.900 -0.603 -5.866 1.00 0.00 C ATOM 1376 O GLY A 97 -7.807 -0.662 -6.430 1.00 0.00 O ATOM 0 H GLY A 97 -12.080 -1.183 -6.187 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -9.936 -0.454 -7.733 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.630 0.514 -6.448 1.00 0.00 H new ATOM 1380 N LEU A 98 -9.038 -0.665 -4.546 1.00 0.00 N ATOM 1381 CA LEU A 98 -7.886 -0.808 -3.663 1.00 0.00 C ATOM 1382 C LEU A 98 -7.059 -2.033 -4.043 1.00 0.00 C ATOM 1383 O LEU A 98 -5.843 -1.941 -4.219 1.00 0.00 O ATOM 1384 CB LEU A 98 -8.346 -0.919 -2.208 1.00 0.00 C ATOM 1385 CG LEU A 98 -7.250 -1.205 -1.179 1.00 0.00 C ATOM 1386 CD1 LEU A 98 -6.133 -0.180 -1.291 1.00 0.00 C ATOM 1387 CD2 LEU A 98 -7.830 -1.214 0.228 1.00 0.00 C ATOM 0 H LEU A 98 -9.936 -0.619 -4.064 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.261 0.078 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.842 0.012 -1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.093 -1.710 -2.143 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.832 -2.191 -1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.363 -0.399 -0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.699 -0.222 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.535 0.817 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.037 -1.419 0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.274 -0.242 0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.595 -1.987 0.301 1.00 0.00 H new ATOM 1399 N ILE A 99 -7.725 -3.175 -4.168 1.00 0.00 N ATOM 1400 CA ILE A 99 -7.052 -4.416 -4.530 1.00 0.00 C ATOM 1401 C ILE A 99 -6.206 -4.237 -5.785 1.00 0.00 C ATOM 1402 O ILE A 99 -5.062 -4.686 -5.846 1.00 0.00 O ATOM 1403 CB ILE A 99 -8.059 -5.557 -4.760 1.00 0.00 C ATOM 1404 CG1 ILE A 99 -8.919 -5.768 -3.513 1.00 0.00 C ATOM 1405 CG2 ILE A 99 -7.331 -6.840 -5.133 1.00 0.00 C ATOM 1406 CD1 ILE A 99 -10.130 -6.641 -3.753 1.00 0.00 C ATOM 0 H ILE A 99 -8.731 -3.267 -4.024 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.404 -4.679 -3.694 1.00 0.00 H new ATOM 0 HB ILE A 99 -8.714 -5.282 -5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -8.307 -6.218 -2.731 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.249 -4.798 -3.141 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.057 -7.637 -5.292 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.760 -6.681 -6.048 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.654 -7.122 -4.327 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -10.692 -6.746 -2.825 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -10.764 -6.183 -4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -9.808 -7.624 -4.096 1.00 0.00 H new ATOM 1418 N ALA A 100 -6.777 -3.574 -6.787 1.00 0.00 N ATOM 1419 CA ALA A 100 -6.075 -3.332 -8.041 1.00 0.00 C ATOM 1420 C ALA A 100 -4.918 -2.360 -7.843 1.00 0.00 C ATOM 1421 O ALA A 100 -3.822 -2.569 -8.365 1.00 0.00 O ATOM 1422 CB ALA A 100 -7.040 -2.800 -9.091 1.00 0.00 C ATOM 0 H ALA A 100 -7.724 -3.195 -6.754 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.664 -4.280 -8.388 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.503 -2.623 -10.023 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.831 -3.530 -9.261 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.478 -1.865 -8.742 1.00 0.00 H new ATOM 1428 N TYR A 101 -5.166 -1.297 -7.085 1.00 0.00 N ATOM 1429 CA TYR A 101 -4.145 -0.291 -6.821 1.00 0.00 C ATOM 1430 C TYR A 101 -2.873 -0.935 -6.280 1.00 0.00 C ATOM 1431 O TYR A 101 -1.771 -0.668 -6.764 1.00 0.00 O ATOM 1432 CB TYR A 101 -4.667 0.748 -5.827 1.00 0.00 C ATOM 1433 CG TYR A 101 -3.768 1.955 -5.683 1.00 0.00 C ATOM 1434 CD1 TYR A 101 -3.176 2.541 -6.796 1.00 0.00 C ATOM 1435 CD2 TYR A 101 -3.508 2.508 -4.435 1.00 0.00 C ATOM 1436 CE1 TYR A 101 -2.352 3.643 -6.669 1.00 0.00 C ATOM 1437 CE2 TYR A 101 -2.687 3.610 -4.300 1.00 0.00 C ATOM 1438 CZ TYR A 101 -2.112 4.174 -5.419 1.00 0.00 C ATOM 1439 OH TYR A 101 -1.292 5.271 -5.288 1.00 0.00 O ATOM 0 H TYR A 101 -6.066 -1.110 -6.643 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.908 0.204 -7.762 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.656 1.078 -6.145 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.787 0.277 -4.852 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.363 2.128 -7.776 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -3.956 2.068 -3.556 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.899 4.086 -7.543 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.496 4.028 -3.323 1.00 0.00 H new ATOM 0 HH TYR A 101 -1.349 5.820 -6.098 1.00 0.00 H new ATOM 1449 N LEU A 102 -3.032 -1.786 -5.272 1.00 0.00 N ATOM 1450 CA LEU A 102 -1.897 -2.471 -4.662 1.00 0.00 C ATOM 1451 C LEU A 102 -1.146 -3.305 -5.695 1.00 0.00 C ATOM 1452 O LEU A 102 0.080 -3.403 -5.656 1.00 0.00 O ATOM 1453 CB LEU A 102 -2.371 -3.364 -3.515 1.00 0.00 C ATOM 1454 CG LEU A 102 -3.156 -2.668 -2.402 1.00 0.00 C ATOM 1455 CD1 LEU A 102 -3.616 -3.677 -1.361 1.00 0.00 C ATOM 1456 CD2 LEU A 102 -2.313 -1.579 -1.756 1.00 0.00 C ATOM 0 H LEU A 102 -3.936 -2.018 -4.860 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.217 -1.716 -4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.994 -4.156 -3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.499 -3.845 -3.071 1.00 0.00 H new ATOM 0 HG LEU A 102 -4.039 -2.204 -2.842 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.173 -3.163 -0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.258 -4.421 -1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.748 -4.171 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.887 -1.094 -0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.412 -2.021 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.035 -0.840 -2.508 1.00 0.00 H new ATOM 1468 N SER A 103 -1.891 -3.904 -6.619 1.00 0.00 N ATOM 1469 CA SER A 103 -1.295 -4.731 -7.662 1.00 0.00 C ATOM 1470 C SER A 103 -0.180 -3.979 -8.381 1.00 0.00 C ATOM 1471 O SER A 103 0.847 -4.560 -8.737 1.00 0.00 O ATOM 1472 CB SER A 103 -2.362 -5.167 -8.667 1.00 0.00 C ATOM 1473 OG SER A 103 -1.896 -6.233 -9.477 1.00 0.00 O ATOM 0 H SER A 103 -2.907 -3.832 -6.667 1.00 0.00 H new ATOM 0 HA SER A 103 -0.867 -5.615 -7.190 1.00 0.00 H new ATOM 0 HB2 SER A 103 -3.262 -5.477 -8.135 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.639 -4.322 -9.297 1.00 0.00 H new ATOM 0 HG SER A 103 -2.597 -6.494 -10.110 1.00 0.00 H new ATOM 1479 N HIS A 104 -0.388 -2.684 -8.592 1.00 0.00 N ATOM 1480 CA HIS A 104 0.600 -1.851 -9.269 1.00 0.00 C ATOM 1481 C HIS A 104 1.895 -1.782 -8.465 1.00 0.00 C ATOM 1482 O HIS A 104 2.990 -1.845 -9.025 1.00 0.00 O ATOM 1483 CB HIS A 104 0.047 -0.442 -9.488 1.00 0.00 C ATOM 1484 CG HIS A 104 -1.289 -0.422 -10.165 1.00 0.00 C ATOM 1485 ND1 HIS A 104 -1.812 0.705 -10.763 1.00 0.00 N ATOM 1486 CD2 HIS A 104 -2.208 -1.400 -10.338 1.00 0.00 C ATOM 1487 CE1 HIS A 104 -2.996 0.420 -11.275 1.00 0.00 C ATOM 1488 NE2 HIS A 104 -3.260 -0.851 -11.030 1.00 0.00 N ATOM 0 H HIS A 104 -1.232 -2.188 -8.304 1.00 0.00 H new ATOM 0 HA HIS A 104 0.817 -2.303 -10.237 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.035 0.061 -8.525 1.00 0.00 H new ATOM 0 HB3 HIS A 104 0.757 0.129 -10.086 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -2.129 -2.421 -9.996 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -3.638 1.109 -11.804 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -4.108 -1.345 -11.309 1.00 0.00 H new ATOM 1497 N PHE A 105 1.763 -1.651 -7.149 1.00 0.00 N ATOM 1498 CA PHE A 105 2.922 -1.572 -6.268 1.00 0.00 C ATOM 1499 C PHE A 105 3.782 -2.826 -6.388 1.00 0.00 C ATOM 1500 O PHE A 105 4.997 -2.744 -6.574 1.00 0.00 O ATOM 1501 CB PHE A 105 2.474 -1.384 -4.817 1.00 0.00 C ATOM 1502 CG PHE A 105 2.013 0.012 -4.509 1.00 0.00 C ATOM 1503 CD1 PHE A 105 0.714 0.405 -4.791 1.00 0.00 C ATOM 1504 CD2 PHE A 105 2.877 0.931 -3.936 1.00 0.00 C ATOM 1505 CE1 PHE A 105 0.286 1.688 -4.508 1.00 0.00 C ATOM 1506 CE2 PHE A 105 2.454 2.215 -3.651 1.00 0.00 C ATOM 1507 CZ PHE A 105 1.157 2.595 -3.938 1.00 0.00 C ATOM 0 H PHE A 105 0.864 -1.597 -6.669 1.00 0.00 H new ATOM 0 HA PHE A 105 3.520 -0.712 -6.571 1.00 0.00 H new ATOM 0 HB2 PHE A 105 1.664 -2.081 -4.602 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.300 -1.640 -4.154 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.028 -0.300 -5.237 1.00 0.00 H new ATOM 0 HD2 PHE A 105 3.892 0.641 -3.710 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.729 1.981 -4.732 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.137 2.922 -3.204 1.00 0.00 H new ATOM 0 HZ PHE A 105 0.825 3.599 -3.717 1.00 0.00 H new ATOM 1517 N HIS A 106 3.144 -3.987 -6.279 1.00 0.00 N ATOM 1518 CA HIS A 106 3.851 -5.260 -6.375 1.00 0.00 C ATOM 1519 C HIS A 106 4.344 -5.501 -7.799 1.00 0.00 C ATOM 1520 O HIS A 106 5.548 -5.547 -8.049 1.00 0.00 O ATOM 1521 CB HIS A 106 2.940 -6.407 -5.937 1.00 0.00 C ATOM 1522 CG HIS A 106 3.627 -7.737 -5.903 1.00 0.00 C ATOM 1523 ND1 HIS A 106 2.983 -8.925 -6.180 1.00 0.00 N ATOM 1524 CD2 HIS A 106 4.911 -8.064 -5.623 1.00 0.00 C ATOM 1525 CE1 HIS A 106 3.840 -9.924 -6.070 1.00 0.00 C ATOM 1526 NE2 HIS A 106 5.016 -9.429 -5.734 1.00 0.00 N ATOM 0 H HIS A 106 2.139 -4.073 -6.124 1.00 0.00 H new ATOM 0 HA HIS A 106 4.715 -5.219 -5.712 1.00 0.00 H new ATOM 0 HB2 HIS A 106 2.543 -6.187 -4.946 1.00 0.00 H new ATOM 0 HB3 HIS A 106 2.089 -6.464 -6.616 1.00 0.00 H new ATOM 0 HD2 HIS A 106 5.704 -7.379 -5.361 1.00 0.00 H new ATOM 0 HE1 HIS A 106 3.616 -10.969 -6.228 1.00 0.00 H new ATOM 0 HE2 HIS A 106 5.866 -9.972 -5.581 1.00 0.00 H new ATOM 1535 N SER A 107 3.406 -5.655 -8.727 1.00 0.00 N ATOM 1536 CA SER A 107 3.744 -5.897 -10.124 1.00 0.00 C ATOM 1537 C SER A 107 5.008 -5.136 -10.516 1.00 0.00 C ATOM 1538 O SER A 107 5.802 -5.605 -11.330 1.00 0.00 O ATOM 1539 CB SER A 107 2.585 -5.484 -11.032 1.00 0.00 C ATOM 1540 OG SER A 107 1.628 -6.523 -11.140 1.00 0.00 O ATOM 0 H SER A 107 2.405 -5.616 -8.536 1.00 0.00 H new ATOM 0 HA SER A 107 3.929 -6.964 -10.247 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.110 -4.587 -10.635 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.966 -5.232 -12.022 1.00 0.00 H new ATOM 0 HG SER A 107 0.896 -6.234 -11.724 1.00 0.00 H new ATOM 1546 N ALA A 108 5.185 -3.955 -9.930 1.00 0.00 N ATOM 1547 CA ALA A 108 6.351 -3.129 -10.216 1.00 0.00 C ATOM 1548 C ALA A 108 7.517 -3.489 -9.300 1.00 0.00 C ATOM 1549 O ALA A 108 8.600 -3.841 -9.767 1.00 0.00 O ATOM 1550 CB ALA A 108 6.001 -1.656 -10.073 1.00 0.00 C ATOM 0 H ALA A 108 4.536 -3.550 -9.255 1.00 0.00 H new ATOM 0 HA ALA A 108 6.658 -3.320 -11.244 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.881 -1.050 -10.289 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.205 -1.402 -10.772 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.666 -1.459 -9.055 1.00 0.00 H new ATOM 1556 N PHE A 109 7.287 -3.397 -7.994 1.00 0.00 N ATOM 1557 CA PHE A 109 8.319 -3.711 -7.013 1.00 0.00 C ATOM 1558 C PHE A 109 8.314 -5.200 -6.676 1.00 0.00 C ATOM 1559 O PHE A 109 8.499 -5.588 -5.522 1.00 0.00 O ATOM 1560 CB PHE A 109 8.110 -2.888 -5.740 1.00 0.00 C ATOM 1561 CG PHE A 109 8.538 -1.456 -5.876 1.00 0.00 C ATOM 1562 CD1 PHE A 109 7.717 -0.529 -6.498 1.00 0.00 C ATOM 1563 CD2 PHE A 109 9.762 -1.035 -5.381 1.00 0.00 C ATOM 1564 CE1 PHE A 109 8.109 0.792 -6.624 1.00 0.00 C ATOM 1565 CE2 PHE A 109 10.158 0.284 -5.504 1.00 0.00 C ATOM 1566 CZ PHE A 109 9.331 1.197 -6.127 1.00 0.00 C ATOM 0 H PHE A 109 6.396 -3.108 -7.591 1.00 0.00 H new ATOM 0 HA PHE A 109 9.286 -3.457 -7.447 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.056 -2.919 -5.466 1.00 0.00 H new ATOM 0 HB3 PHE A 109 8.666 -3.349 -4.923 1.00 0.00 H new ATOM 0 HD1 PHE A 109 6.760 -0.841 -6.889 1.00 0.00 H new ATOM 0 HD2 PHE A 109 10.414 -1.745 -4.894 1.00 0.00 H new ATOM 0 HE1 PHE A 109 7.460 1.505 -7.110 1.00 0.00 H new ATOM 0 HE2 PHE A 109 11.114 0.600 -5.113 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.640 2.227 -6.225 1.00 0.00 H new ATOM 1576 N LYS A 110 8.100 -6.029 -7.692 1.00 0.00 N ATOM 1577 CA LYS A 110 8.072 -7.475 -7.506 1.00 0.00 C ATOM 1578 C LYS A 110 9.460 -8.007 -7.164 1.00 0.00 C ATOM 1579 O LYS A 110 10.455 -7.294 -7.285 1.00 0.00 O ATOM 1580 CB LYS A 110 7.548 -8.162 -8.770 1.00 0.00 C ATOM 1581 CG LYS A 110 6.032 -8.206 -8.854 1.00 0.00 C ATOM 1582 CD LYS A 110 5.552 -9.426 -9.622 1.00 0.00 C ATOM 1583 CE LYS A 110 6.072 -9.426 -11.051 1.00 0.00 C ATOM 1584 NZ LYS A 110 5.166 -8.683 -11.970 1.00 0.00 N ATOM 0 H LYS A 110 7.943 -5.724 -8.653 1.00 0.00 H new ATOM 0 HA LYS A 110 7.403 -7.696 -6.675 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.937 -7.641 -9.645 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.935 -9.180 -8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.611 -8.219 -7.849 1.00 0.00 H new ATOM 0 HG3 LYS A 110 5.667 -7.302 -9.341 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.884 -10.331 -9.113 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.462 -9.446 -9.630 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.064 -8.976 -11.077 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.179 -10.454 -11.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.384 -8.939 -12.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 4.178 -8.930 -11.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.302 -7.660 -11.840 1.00 0.00 H new