USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 699 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 76 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 90 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 27 GLN : amide:sc= -0.474 K(o=-1.7,f=-0.97) USER MOD Set 2.2: A 29 ASN : amide:sc= -1.23 K(o=-1.7,f=-0.071) USER MOD Single : A 12 THR OG1 : rot 129:sc= 0.18 USER MOD Single : A 13 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0658) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 30 LYS NZ :NH3+ -124:sc= 0.967 (180deg=-1.74) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 150:sc= -0.647 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -117:sc= -1.34! (180deg=-1.91!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 108:sc= 0.324 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -3.03! C(o=-3!,f=-3.6!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -2.66! X(o=-2.7!,f=-2.2) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HE2:sc= -0.89 K(o=-0.89,f=-1.5) USER MOD Single : A 86 THR OG1 : rot -170:sc= -2.03 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -2.25! C(o=-2.3!,f=-4.2!) USER MOD Single : A 102 GLN : amide:sc= -0.038 X(o=-0.038,f=-0.22) USER MOD Single : A 104 MET CE :methyl -137:sc= -0.0211 (180deg=-0.214) USER MOD ----------------------------------------------------------------- ATOM 104 N VAL A 11 -0.723 -1.008 12.786 1.00 0.00 N ATOM 105 CA VAL A 11 -0.692 -1.799 11.561 1.00 0.00 C ATOM 106 C VAL A 11 -2.083 -1.920 10.949 1.00 0.00 C ATOM 107 O VAL A 11 -3.081 -2.027 11.663 1.00 0.00 O ATOM 108 CB VAL A 11 -0.132 -3.211 11.819 1.00 0.00 C ATOM 109 CG1 VAL A 11 -0.229 -4.062 10.562 1.00 0.00 C ATOM 110 CG2 VAL A 11 1.306 -3.132 12.309 1.00 0.00 C ATOM 0 HA VAL A 11 -0.036 -1.277 10.864 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.732 -3.684 12.597 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.171 -5.056 10.764 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.273 -4.146 10.259 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.345 -3.595 9.761 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.686 -4.138 12.486 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.921 -2.640 11.555 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.343 -2.561 13.237 1.00 0.00 H new ATOM 120 N THR A 12 -2.142 -1.903 9.621 1.00 0.00 N ATOM 121 CA THR A 12 -3.411 -2.009 8.911 1.00 0.00 C ATOM 122 C THR A 12 -3.768 -3.466 8.640 1.00 0.00 C ATOM 123 O THR A 12 -4.875 -3.912 8.943 1.00 0.00 O ATOM 124 CB THR A 12 -3.374 -1.244 7.575 1.00 0.00 C ATOM 125 OG1 THR A 12 -2.835 0.067 7.777 1.00 0.00 O ATOM 126 CG2 THR A 12 -4.766 -1.139 6.973 1.00 0.00 C ATOM 0 H THR A 12 -1.326 -1.817 9.015 1.00 0.00 H new ATOM 0 HA THR A 12 -4.171 -1.564 9.554 1.00 0.00 H new ATOM 0 HB THR A 12 -2.738 -1.795 6.883 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.118 0.229 7.129 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.714 -0.595 6.030 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.161 -2.139 6.794 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.422 -0.608 7.663 1.00 0.00 H new ATOM 134 N LYS A 13 -2.823 -4.205 8.067 1.00 0.00 N ATOM 135 CA LYS A 13 -3.036 -5.613 7.756 1.00 0.00 C ATOM 136 C LYS A 13 -1.714 -6.374 7.742 1.00 0.00 C ATOM 137 O LYS A 13 -0.669 -5.815 7.410 1.00 0.00 O ATOM 138 CB LYS A 13 -3.734 -5.758 6.401 1.00 0.00 C ATOM 139 CG LYS A 13 -4.295 -7.147 6.151 1.00 0.00 C ATOM 140 CD LYS A 13 -5.077 -7.206 4.849 1.00 0.00 C ATOM 141 CE LYS A 13 -5.676 -8.585 4.622 1.00 0.00 C ATOM 142 NZ LYS A 13 -6.780 -8.875 5.578 1.00 0.00 N ATOM 0 H LYS A 13 -1.902 -3.851 7.809 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.672 -6.038 8.533 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.544 -5.032 6.340 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.026 -5.513 5.609 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.480 -7.870 6.120 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.943 -7.433 6.979 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.872 -6.461 4.867 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.420 -6.952 4.017 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.052 -8.654 3.601 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.897 -9.341 4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.261 -9.753 5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.390 -8.985 6.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.461 -8.089 5.570 1.00 0.00 H new ATOM 156 N ALA A 14 -1.768 -7.652 8.103 1.00 0.00 N ATOM 157 CA ALA A 14 -0.575 -8.489 8.128 1.00 0.00 C ATOM 158 C ALA A 14 -0.915 -9.939 7.799 1.00 0.00 C ATOM 159 O ALA A 14 -1.822 -10.523 8.389 1.00 0.00 O ATOM 160 CB ALA A 14 0.104 -8.400 9.487 1.00 0.00 C ATOM 0 H ALA A 14 -2.625 -8.130 8.382 1.00 0.00 H new ATOM 0 HA ALA A 14 0.112 -8.122 7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.993 -9.030 9.491 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.390 -7.367 9.684 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.585 -8.739 10.261 1.00 0.00 H new ATOM 166 N GLY A 15 -0.180 -10.514 6.851 1.00 0.00 N ATOM 167 CA GLY A 15 -0.420 -11.890 6.459 1.00 0.00 C ATOM 168 C GLY A 15 0.659 -12.428 5.541 1.00 0.00 C ATOM 169 O GLY A 15 1.417 -11.661 4.947 1.00 0.00 O ATOM 0 H GLY A 15 0.577 -10.051 6.348 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.478 -12.514 7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.386 -11.959 5.959 1.00 0.00 H new ATOM 173 N TRP A 16 0.731 -13.749 5.426 1.00 0.00 N ATOM 174 CA TRP A 16 1.727 -14.389 4.574 1.00 0.00 C ATOM 175 C TRP A 16 1.348 -14.264 3.103 1.00 0.00 C ATOM 176 O TRP A 16 0.312 -14.772 2.673 1.00 0.00 O ATOM 177 CB TRP A 16 1.878 -15.864 4.951 1.00 0.00 C ATOM 178 CG TRP A 16 2.539 -16.073 6.280 1.00 0.00 C ATOM 179 CD1 TRP A 16 1.923 -16.164 7.496 1.00 0.00 C ATOM 180 CD2 TRP A 16 3.942 -16.215 6.527 1.00 0.00 C ATOM 181 NE1 TRP A 16 2.859 -16.354 8.483 1.00 0.00 N ATOM 182 CE2 TRP A 16 4.105 -16.390 7.915 1.00 0.00 C ATOM 183 CE3 TRP A 16 5.076 -16.214 5.710 1.00 0.00 C ATOM 184 CZ2 TRP A 16 5.356 -16.560 8.502 1.00 0.00 C ATOM 185 CZ3 TRP A 16 6.317 -16.383 6.294 1.00 0.00 C ATOM 186 CH2 TRP A 16 6.450 -16.555 7.678 1.00 0.00 C ATOM 0 H TRP A 16 0.112 -14.398 5.912 1.00 0.00 H new ATOM 0 HA TRP A 16 2.680 -13.882 4.728 1.00 0.00 H new ATOM 0 HB2 TRP A 16 0.893 -16.330 4.966 1.00 0.00 H new ATOM 0 HB3 TRP A 16 2.459 -16.371 4.181 1.00 0.00 H new ATOM 0 HD1 TRP A 16 0.857 -16.096 7.657 1.00 0.00 H new ATOM 0 HE1 TRP A 16 2.659 -16.452 9.478 1.00 0.00 H new ATOM 0 HE3 TRP A 16 4.984 -16.084 4.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.460 -16.691 9.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 7.200 -16.382 5.672 1.00 0.00 H new ATOM 0 HH2 TRP A 16 7.434 -16.686 8.103 1.00 0.00 H new ATOM 197 N LEU A 17 2.192 -13.584 2.335 1.00 0.00 N ATOM 198 CA LEU A 17 1.945 -13.392 0.910 1.00 0.00 C ATOM 199 C LEU A 17 3.121 -13.896 0.080 1.00 0.00 C ATOM 200 O LEU A 17 4.269 -13.521 0.319 1.00 0.00 O ATOM 201 CB LEU A 17 1.691 -11.913 0.611 1.00 0.00 C ATOM 202 CG LEU A 17 0.251 -11.430 0.785 1.00 0.00 C ATOM 203 CD1 LEU A 17 0.186 -9.912 0.721 1.00 0.00 C ATOM 204 CD2 LEU A 17 -0.651 -12.049 -0.273 1.00 0.00 C ATOM 0 H LEU A 17 3.053 -13.156 2.675 1.00 0.00 H new ATOM 0 HA LEU A 17 1.060 -13.968 0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.334 -11.317 1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.999 -11.713 -0.415 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.102 -11.748 1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.847 -9.586 0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.800 -9.488 1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.558 -9.572 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.672 -11.694 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.299 -11.762 -1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.629 -13.135 -0.180 1.00 0.00 H new ATOM 216 N PHE A 18 2.827 -14.748 -0.897 1.00 0.00 N ATOM 217 CA PHE A 18 3.860 -15.303 -1.764 1.00 0.00 C ATOM 218 C PHE A 18 4.367 -14.252 -2.748 1.00 0.00 C ATOM 219 O PHE A 18 3.607 -13.732 -3.565 1.00 0.00 O ATOM 220 CB PHE A 18 3.319 -16.514 -2.527 1.00 0.00 C ATOM 221 CG PHE A 18 3.106 -17.722 -1.660 1.00 0.00 C ATOM 222 CD1 PHE A 18 2.184 -17.695 -0.626 1.00 0.00 C ATOM 223 CD2 PHE A 18 3.827 -18.885 -1.880 1.00 0.00 C ATOM 224 CE1 PHE A 18 1.987 -18.805 0.173 1.00 0.00 C ATOM 225 CE2 PHE A 18 3.633 -19.998 -1.085 1.00 0.00 C ATOM 226 CZ PHE A 18 2.711 -19.959 -0.057 1.00 0.00 C ATOM 0 H PHE A 18 1.882 -15.069 -1.108 1.00 0.00 H new ATOM 0 HA PHE A 18 4.693 -15.620 -1.137 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.374 -16.244 -2.999 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.013 -16.769 -3.328 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.613 -16.797 -0.443 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.549 -18.922 -2.682 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.267 -18.770 0.977 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.202 -20.898 -1.267 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.557 -20.828 0.565 1.00 0.00 H new ATOM 236 N LYS A 19 5.657 -13.945 -2.663 1.00 0.00 N ATOM 237 CA LYS A 19 6.268 -12.957 -3.545 1.00 0.00 C ATOM 238 C LYS A 19 6.888 -13.628 -4.766 1.00 0.00 C ATOM 239 O LYS A 19 7.925 -14.283 -4.664 1.00 0.00 O ATOM 240 CB LYS A 19 7.334 -12.160 -2.790 1.00 0.00 C ATOM 241 CG LYS A 19 7.593 -10.783 -3.377 1.00 0.00 C ATOM 242 CD LYS A 19 8.637 -10.023 -2.576 1.00 0.00 C ATOM 243 CE LYS A 19 8.757 -8.581 -3.044 1.00 0.00 C ATOM 244 NZ LYS A 19 10.063 -7.979 -2.657 1.00 0.00 N ATOM 0 H LYS A 19 6.300 -14.366 -1.992 1.00 0.00 H new ATOM 0 HA LYS A 19 5.487 -12.276 -3.884 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.025 -12.050 -1.750 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.265 -12.726 -2.788 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.927 -10.884 -4.410 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.663 -10.214 -3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.372 -10.043 -1.519 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.603 -10.519 -2.671 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.645 -8.540 -4.127 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.945 -7.992 -2.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.106 -6.996 -2.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.159 -7.994 -1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.838 -8.526 -3.085 1.00 0.00 H new ATOM 258 N GLN A 20 6.247 -13.460 -5.918 1.00 0.00 N ATOM 259 CA GLN A 20 6.738 -14.049 -7.158 1.00 0.00 C ATOM 260 C GLN A 20 8.258 -13.949 -7.244 1.00 0.00 C ATOM 261 O GLN A 20 8.866 -13.062 -6.646 1.00 0.00 O ATOM 262 CB GLN A 20 6.101 -13.357 -8.364 1.00 0.00 C ATOM 263 CG GLN A 20 6.375 -14.059 -9.684 1.00 0.00 C ATOM 264 CD GLN A 20 5.596 -13.458 -10.837 1.00 0.00 C ATOM 265 OE1 GLN A 20 5.529 -12.238 -10.988 1.00 0.00 O ATOM 266 NE2 GLN A 20 5.001 -14.315 -11.659 1.00 0.00 N ATOM 0 H GLN A 20 5.387 -12.921 -6.018 1.00 0.00 H new ATOM 0 HA GLN A 20 6.460 -15.103 -7.164 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.023 -13.297 -8.211 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.472 -12.334 -8.423 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.441 -14.007 -9.904 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.120 -15.115 -9.590 1.00 0.00 H new ATOM 0 HE21 GLN A 20 5.083 -15.319 -11.496 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.462 -13.970 -12.453 1.00 0.00 H new ATOM 275 N ALA A 21 8.864 -14.865 -7.991 1.00 0.00 N ATOM 276 CA ALA A 21 10.313 -14.879 -8.157 1.00 0.00 C ATOM 277 C ALA A 21 10.745 -13.949 -9.285 1.00 0.00 C ATOM 278 O ALA A 21 10.784 -14.346 -10.450 1.00 0.00 O ATOM 279 CB ALA A 21 10.800 -16.296 -8.422 1.00 0.00 C ATOM 0 H ALA A 21 8.375 -15.607 -8.491 1.00 0.00 H new ATOM 0 HA ALA A 21 10.764 -14.519 -7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.883 -16.292 -8.544 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.532 -16.936 -7.581 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.334 -16.677 -9.331 1.00 0.00 H new ATOM 352 N GLN A 27 8.844 -18.879 -10.002 1.00 0.00 N ATOM 353 CA GLN A 27 8.332 -19.553 -8.815 1.00 0.00 C ATOM 354 C GLN A 27 7.739 -18.549 -7.831 1.00 0.00 C ATOM 355 O GLN A 27 7.778 -17.341 -8.064 1.00 0.00 O ATOM 356 CB GLN A 27 9.446 -20.352 -8.136 1.00 0.00 C ATOM 357 CG GLN A 27 10.642 -19.505 -7.731 1.00 0.00 C ATOM 358 CD GLN A 27 11.857 -20.342 -7.379 1.00 0.00 C ATOM 359 OE1 GLN A 27 12.098 -21.390 -7.977 1.00 0.00 O ATOM 360 NE2 GLN A 27 12.630 -19.881 -6.403 1.00 0.00 N ATOM 0 HA GLN A 27 7.543 -20.236 -9.129 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.042 -20.842 -7.250 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.781 -21.139 -8.812 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.896 -18.828 -8.547 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.371 -18.886 -6.875 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.392 -19.007 -5.934 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.461 -20.401 -6.122 1.00 0.00 H new ATOM 369 N TRP A 28 7.191 -19.057 -6.733 1.00 0.00 N ATOM 370 CA TRP A 28 6.590 -18.204 -5.715 1.00 0.00 C ATOM 371 C TRP A 28 7.142 -18.534 -4.332 1.00 0.00 C ATOM 372 O TRP A 28 7.107 -19.685 -3.899 1.00 0.00 O ATOM 373 CB TRP A 28 5.068 -18.363 -5.721 1.00 0.00 C ATOM 374 CG TRP A 28 4.411 -17.742 -6.916 1.00 0.00 C ATOM 375 CD1 TRP A 28 4.404 -18.228 -8.193 1.00 0.00 C ATOM 376 CD2 TRP A 28 3.668 -16.519 -6.947 1.00 0.00 C ATOM 377 NE1 TRP A 28 3.701 -17.381 -9.014 1.00 0.00 N ATOM 378 CE2 TRP A 28 3.238 -16.325 -8.274 1.00 0.00 C ATOM 379 CE3 TRP A 28 3.322 -15.569 -5.982 1.00 0.00 C ATOM 380 CZ2 TRP A 28 2.482 -15.221 -8.658 1.00 0.00 C ATOM 381 CZ3 TRP A 28 2.571 -14.474 -6.364 1.00 0.00 C ATOM 382 CH2 TRP A 28 2.158 -14.307 -7.693 1.00 0.00 C ATOM 0 H TRP A 28 7.151 -20.055 -6.525 1.00 0.00 H new ATOM 0 HA TRP A 28 6.842 -17.170 -5.949 1.00 0.00 H new ATOM 0 HB2 TRP A 28 4.821 -19.424 -5.690 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.659 -17.914 -4.816 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.881 -19.144 -8.510 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.548 -17.516 -10.013 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.636 -15.689 -4.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.163 -15.091 -9.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.298 -13.734 -5.626 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.573 -13.440 -7.960 1.00 0.00 H new ATOM 393 N ASN A 29 7.651 -17.517 -3.645 1.00 0.00 N ATOM 394 CA ASN A 29 8.211 -17.701 -2.311 1.00 0.00 C ATOM 395 C ASN A 29 7.313 -17.069 -1.252 1.00 0.00 C ATOM 396 O ASN A 29 6.965 -15.891 -1.339 1.00 0.00 O ATOM 397 CB ASN A 29 9.613 -17.093 -2.235 1.00 0.00 C ATOM 398 CG ASN A 29 10.619 -17.853 -3.078 1.00 0.00 C ATOM 399 OD1 ASN A 29 11.556 -18.456 -2.553 1.00 0.00 O ATOM 400 ND2 ASN A 29 10.429 -17.828 -4.392 1.00 0.00 N ATOM 0 H ASN A 29 7.687 -16.558 -3.989 1.00 0.00 H new ATOM 0 HA ASN A 29 8.275 -18.771 -2.116 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.575 -16.056 -2.567 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.946 -17.083 -1.197 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.073 -18.321 -5.010 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.639 -17.315 -4.783 1.00 0.00 H new ATOM 407 N LYS A 30 6.940 -17.860 -0.251 1.00 0.00 N ATOM 408 CA LYS A 30 6.084 -17.379 0.827 1.00 0.00 C ATOM 409 C LYS A 30 6.844 -16.421 1.739 1.00 0.00 C ATOM 410 O LYS A 30 7.959 -16.713 2.170 1.00 0.00 O ATOM 411 CB LYS A 30 5.546 -18.556 1.642 1.00 0.00 C ATOM 412 CG LYS A 30 4.511 -18.156 2.679 1.00 0.00 C ATOM 413 CD LYS A 30 3.582 -19.310 3.015 1.00 0.00 C ATOM 414 CE LYS A 30 3.082 -19.225 4.449 1.00 0.00 C ATOM 415 NZ LYS A 30 1.724 -19.817 4.599 1.00 0.00 N ATOM 0 H LYS A 30 7.218 -18.838 -0.164 1.00 0.00 H new ATOM 0 HA LYS A 30 5.248 -16.841 0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.104 -19.285 0.963 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.378 -19.050 2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.014 -17.818 3.585 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.927 -17.315 2.306 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.733 -19.305 2.332 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.105 -20.255 2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.779 -19.743 5.108 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.060 -18.182 4.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.081 -19.110 5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.368 -20.109 3.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.774 -20.645 5.226 1.00 0.00 H new ATOM 429 N ARG A 31 6.233 -15.277 2.029 1.00 0.00 N ATOM 430 CA ARG A 31 6.852 -14.277 2.890 1.00 0.00 C ATOM 431 C ARG A 31 5.803 -13.573 3.747 1.00 0.00 C ATOM 432 O ARG A 31 4.615 -13.587 3.427 1.00 0.00 O ATOM 433 CB ARG A 31 7.612 -13.249 2.049 1.00 0.00 C ATOM 434 CG ARG A 31 8.814 -12.649 2.761 1.00 0.00 C ATOM 435 CD ARG A 31 10.027 -13.562 2.671 1.00 0.00 C ATOM 436 NE ARG A 31 9.926 -14.698 3.583 1.00 0.00 N ATOM 437 CZ ARG A 31 10.646 -15.807 3.458 1.00 0.00 C ATOM 438 NH1 ARG A 31 11.514 -15.929 2.464 1.00 0.00 N ATOM 439 NH2 ARG A 31 10.497 -16.798 4.328 1.00 0.00 N ATOM 0 H ARG A 31 5.310 -15.020 1.680 1.00 0.00 H new ATOM 0 HA ARG A 31 7.554 -14.787 3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.946 -13.723 1.126 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.930 -12.447 1.767 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.053 -11.681 2.321 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.567 -12.472 3.808 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.132 -13.926 1.649 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.927 -12.992 2.900 1.00 0.00 H new ATOM 0 HE ARG A 31 9.266 -14.636 4.359 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.630 -15.170 1.793 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.066 -16.782 2.370 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.829 -16.708 5.094 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.050 -17.649 4.231 1.00 0.00 H new ATOM 453 N TRP A 32 6.252 -12.959 4.836 1.00 0.00 N ATOM 454 CA TRP A 32 5.352 -12.250 5.739 1.00 0.00 C ATOM 455 C TRP A 32 5.188 -10.796 5.313 1.00 0.00 C ATOM 456 O TRP A 32 6.114 -9.994 5.435 1.00 0.00 O ATOM 457 CB TRP A 32 5.879 -12.318 7.173 1.00 0.00 C ATOM 458 CG TRP A 32 4.935 -11.736 8.181 1.00 0.00 C ATOM 459 CD1 TRP A 32 5.178 -10.690 9.024 1.00 0.00 C ATOM 460 CD2 TRP A 32 3.598 -12.170 8.452 1.00 0.00 C ATOM 461 NE1 TRP A 32 4.073 -10.447 9.803 1.00 0.00 N ATOM 462 CE2 TRP A 32 3.089 -11.340 9.471 1.00 0.00 C ATOM 463 CE3 TRP A 32 2.780 -13.176 7.933 1.00 0.00 C ATOM 464 CZ2 TRP A 32 1.801 -11.489 9.979 1.00 0.00 C ATOM 465 CZ3 TRP A 32 1.502 -13.323 8.438 1.00 0.00 C ATOM 466 CH2 TRP A 32 1.022 -12.483 9.451 1.00 0.00 C ATOM 0 H TRP A 32 7.233 -12.938 5.115 1.00 0.00 H new ATOM 0 HA TRP A 32 4.376 -12.734 5.694 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.078 -13.358 7.430 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.830 -11.788 7.228 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.103 -10.135 9.071 1.00 0.00 H new ATOM 0 HE1 TRP A 32 3.998 -9.719 10.514 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.140 -13.828 7.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 1.430 -10.844 10.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.862 -14.099 8.045 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.018 -12.622 9.823 1.00 0.00 H new ATOM 477 N PHE A 33 4.003 -10.461 4.811 1.00 0.00 N ATOM 478 CA PHE A 33 3.718 -9.102 4.366 1.00 0.00 C ATOM 479 C PHE A 33 2.849 -8.368 5.383 1.00 0.00 C ATOM 480 O PHE A 33 1.805 -8.869 5.801 1.00 0.00 O ATOM 481 CB PHE A 33 3.021 -9.125 3.004 1.00 0.00 C ATOM 482 CG PHE A 33 3.968 -9.281 1.849 1.00 0.00 C ATOM 483 CD1 PHE A 33 4.512 -10.518 1.544 1.00 0.00 C ATOM 484 CD2 PHE A 33 4.314 -8.190 1.068 1.00 0.00 C ATOM 485 CE1 PHE A 33 5.383 -10.665 0.481 1.00 0.00 C ATOM 486 CE2 PHE A 33 5.185 -8.331 0.004 1.00 0.00 C ATOM 487 CZ PHE A 33 5.721 -9.570 -0.289 1.00 0.00 C ATOM 0 H PHE A 33 3.225 -11.112 4.702 1.00 0.00 H new ATOM 0 HA PHE A 33 4.665 -8.570 4.273 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.301 -9.944 2.987 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.456 -8.201 2.878 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.252 -11.378 2.144 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.899 -7.219 1.293 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.799 -11.635 0.253 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.446 -7.473 -0.598 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.403 -9.682 -1.119 1.00 0.00 H new ATOM 497 N VAL A 34 3.288 -7.177 5.777 1.00 0.00 N ATOM 498 CA VAL A 34 2.551 -6.372 6.744 1.00 0.00 C ATOM 499 C VAL A 34 2.309 -4.963 6.216 1.00 0.00 C ATOM 500 O VAL A 34 3.214 -4.126 6.212 1.00 0.00 O ATOM 501 CB VAL A 34 3.299 -6.284 8.088 1.00 0.00 C ATOM 502 CG1 VAL A 34 2.520 -5.432 9.078 1.00 0.00 C ATOM 503 CG2 VAL A 34 3.549 -7.675 8.650 1.00 0.00 C ATOM 0 H VAL A 34 4.150 -6.748 5.441 1.00 0.00 H new ATOM 0 HA VAL A 34 1.593 -6.867 6.902 1.00 0.00 H new ATOM 0 HB VAL A 34 4.264 -5.807 7.916 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.064 -5.381 10.021 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.398 -4.427 8.675 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.539 -5.877 9.248 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.078 -7.594 9.599 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.596 -8.180 8.808 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.152 -8.249 7.946 1.00 0.00 H new ATOM 513 N LEU A 35 1.084 -4.705 5.772 1.00 0.00 N ATOM 514 CA LEU A 35 0.722 -3.395 5.241 1.00 0.00 C ATOM 515 C LEU A 35 0.640 -2.359 6.358 1.00 0.00 C ATOM 516 O LEU A 35 -0.156 -2.495 7.287 1.00 0.00 O ATOM 517 CB LEU A 35 -0.615 -3.474 4.503 1.00 0.00 C ATOM 518 CG LEU A 35 -1.335 -2.144 4.275 1.00 0.00 C ATOM 519 CD1 LEU A 35 -0.556 -1.275 3.301 1.00 0.00 C ATOM 520 CD2 LEU A 35 -2.749 -2.384 3.766 1.00 0.00 C ATOM 0 H LEU A 35 0.324 -5.386 5.769 1.00 0.00 H new ATOM 0 HA LEU A 35 1.498 -3.086 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.445 -3.943 3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.279 -4.132 5.064 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.397 -1.618 5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.084 -0.333 3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.436 -1.075 3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.461 -1.793 2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.247 -1.427 3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.709 -2.931 2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.306 -2.967 4.500 1.00 0.00 H new ATOM 532 N VAL A 36 1.466 -1.322 6.258 1.00 0.00 N ATOM 533 CA VAL A 36 1.484 -0.261 7.258 1.00 0.00 C ATOM 534 C VAL A 36 0.452 0.814 6.937 1.00 0.00 C ATOM 535 O VAL A 36 -0.337 0.672 6.002 1.00 0.00 O ATOM 536 CB VAL A 36 2.875 0.392 7.358 1.00 0.00 C ATOM 537 CG1 VAL A 36 3.009 1.521 6.347 1.00 0.00 C ATOM 538 CG2 VAL A 36 3.126 0.897 8.770 1.00 0.00 C ATOM 0 H VAL A 36 2.131 -1.194 5.495 1.00 0.00 H new ATOM 0 HA VAL A 36 1.238 -0.723 8.214 1.00 0.00 H new ATOM 0 HB VAL A 36 3.628 -0.361 7.127 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.998 1.970 6.433 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.876 1.125 5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.249 2.277 6.543 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.114 1.355 8.822 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.369 1.636 9.032 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.076 0.062 9.469 1.00 0.00 H new ATOM 548 N ASP A 37 0.464 1.889 7.717 1.00 0.00 N ATOM 549 CA ASP A 37 -0.471 2.991 7.515 1.00 0.00 C ATOM 550 C ASP A 37 -0.841 3.126 6.041 1.00 0.00 C ATOM 551 O ASP A 37 -2.011 3.026 5.673 1.00 0.00 O ATOM 552 CB ASP A 37 0.134 4.300 8.024 1.00 0.00 C ATOM 553 CG ASP A 37 1.519 4.555 7.462 1.00 0.00 C ATOM 554 OD1 ASP A 37 1.615 5.004 6.301 1.00 0.00 O ATOM 555 OD2 ASP A 37 2.506 4.307 8.185 1.00 0.00 O ATOM 0 H ASP A 37 1.110 2.021 8.495 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.378 2.775 8.080 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.522 5.128 7.756 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.186 4.274 9.112 1.00 0.00 H new ATOM 560 N ARG A 38 0.164 3.355 5.202 1.00 0.00 N ATOM 561 CA ARG A 38 -0.056 3.507 3.769 1.00 0.00 C ATOM 562 C ARG A 38 0.914 2.637 2.975 1.00 0.00 C ATOM 563 O ARG A 38 0.583 2.147 1.894 1.00 0.00 O ATOM 564 CB ARG A 38 0.103 4.972 3.359 1.00 0.00 C ATOM 565 CG ARG A 38 -1.190 5.767 3.427 1.00 0.00 C ATOM 566 CD ARG A 38 -1.210 6.887 2.397 1.00 0.00 C ATOM 567 NE ARG A 38 -2.034 8.013 2.829 1.00 0.00 N ATOM 568 CZ ARG A 38 -1.690 8.841 3.809 1.00 0.00 C ATOM 569 NH1 ARG A 38 -0.545 8.671 4.455 1.00 0.00 N ATOM 570 NH2 ARG A 38 -2.493 9.843 4.145 1.00 0.00 N ATOM 0 H ARG A 38 1.139 3.439 5.490 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.073 3.183 3.547 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.844 5.443 4.005 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.493 5.016 2.342 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.037 5.102 3.259 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.308 6.187 4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.192 7.231 2.216 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.589 6.502 1.450 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.922 8.172 2.352 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.075 7.902 4.200 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.284 9.309 5.207 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.375 9.978 3.651 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.228 10.478 4.898 1.00 0.00 H new ATOM 584 N CYS A 39 2.112 2.449 3.517 1.00 0.00 N ATOM 585 CA CYS A 39 3.131 1.639 2.859 1.00 0.00 C ATOM 586 C CYS A 39 2.912 0.156 3.139 1.00 0.00 C ATOM 587 O CYS A 39 1.974 -0.222 3.843 1.00 0.00 O ATOM 588 CB CYS A 39 4.526 2.058 3.327 1.00 0.00 C ATOM 589 SG CYS A 39 5.086 3.640 2.654 1.00 0.00 S ATOM 0 H CYS A 39 2.402 2.847 4.411 1.00 0.00 H new ATOM 0 HA CYS A 39 3.051 1.803 1.784 1.00 0.00 H new ATOM 0 HB2 CYS A 39 4.530 2.117 4.415 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.240 1.283 3.047 1.00 0.00 H new ATOM 0 HG CYS A 39 6.274 3.909 3.109 1.00 0.00 H new ATOM 595 N LEU A 40 3.781 -0.680 2.582 1.00 0.00 N ATOM 596 CA LEU A 40 3.682 -2.123 2.770 1.00 0.00 C ATOM 597 C LEU A 40 5.062 -2.744 2.962 1.00 0.00 C ATOM 598 O LEU A 40 5.876 -2.771 2.039 1.00 0.00 O ATOM 599 CB LEU A 40 2.983 -2.767 1.571 1.00 0.00 C ATOM 600 CG LEU A 40 3.067 -4.291 1.484 1.00 0.00 C ATOM 601 CD1 LEU A 40 2.285 -4.934 2.620 1.00 0.00 C ATOM 602 CD2 LEU A 40 2.552 -4.778 0.138 1.00 0.00 C ATOM 0 H LEU A 40 4.562 -0.384 1.997 1.00 0.00 H new ATOM 0 HA LEU A 40 3.093 -2.307 3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.931 -2.482 1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.408 -2.347 0.659 1.00 0.00 H new ATOM 0 HG LEU A 40 4.113 -4.584 1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.356 -6.019 2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.699 -4.611 3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.239 -4.633 2.558 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.619 -5.865 0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.513 -4.474 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.154 -4.345 -0.660 1.00 0.00 H new ATOM 614 N PHE A 41 5.318 -3.243 4.167 1.00 0.00 N ATOM 615 CA PHE A 41 6.599 -3.865 4.480 1.00 0.00 C ATOM 616 C PHE A 41 6.483 -5.386 4.469 1.00 0.00 C ATOM 617 O PHE A 41 5.385 -5.935 4.376 1.00 0.00 O ATOM 618 CB PHE A 41 7.100 -3.390 5.846 1.00 0.00 C ATOM 619 CG PHE A 41 7.200 -1.896 5.962 1.00 0.00 C ATOM 620 CD1 PHE A 41 8.173 -1.198 5.264 1.00 0.00 C ATOM 621 CD2 PHE A 41 6.323 -1.190 6.768 1.00 0.00 C ATOM 622 CE1 PHE A 41 8.268 0.177 5.369 1.00 0.00 C ATOM 623 CE2 PHE A 41 6.413 0.185 6.877 1.00 0.00 C ATOM 624 CZ PHE A 41 7.386 0.869 6.176 1.00 0.00 C ATOM 0 H PHE A 41 4.655 -3.229 4.942 1.00 0.00 H new ATOM 0 HA PHE A 41 7.315 -3.568 3.714 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.429 -3.762 6.620 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.080 -3.828 6.037 1.00 0.00 H new ATOM 0 HD1 PHE A 41 8.865 -1.734 4.631 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.560 -1.720 7.318 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.031 0.710 4.821 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.723 0.724 7.510 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.457 1.943 6.258 1.00 0.00 H new ATOM 634 N TYR A 42 7.623 -6.061 4.564 1.00 0.00 N ATOM 635 CA TYR A 42 7.650 -7.519 4.562 1.00 0.00 C ATOM 636 C TYR A 42 8.892 -8.042 5.277 1.00 0.00 C ATOM 637 O TYR A 42 9.916 -7.361 5.345 1.00 0.00 O ATOM 638 CB TYR A 42 7.614 -8.048 3.127 1.00 0.00 C ATOM 639 CG TYR A 42 8.886 -7.788 2.353 1.00 0.00 C ATOM 640 CD1 TYR A 42 9.930 -8.704 2.365 1.00 0.00 C ATOM 641 CD2 TYR A 42 9.044 -6.625 1.609 1.00 0.00 C ATOM 642 CE1 TYR A 42 11.095 -8.470 1.660 1.00 0.00 C ATOM 643 CE2 TYR A 42 10.204 -6.383 0.900 1.00 0.00 C ATOM 644 CZ TYR A 42 11.227 -7.308 0.928 1.00 0.00 C ATOM 645 OH TYR A 42 12.384 -7.071 0.223 1.00 0.00 O ATOM 0 H TYR A 42 8.540 -5.622 4.643 1.00 0.00 H new ATOM 0 HA TYR A 42 6.769 -7.874 5.096 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.425 -9.121 3.149 1.00 0.00 H new ATOM 0 HB3 TYR A 42 6.778 -7.588 2.600 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.829 -9.615 2.936 1.00 0.00 H new ATOM 0 HD2 TYR A 42 8.246 -5.898 1.585 1.00 0.00 H new ATOM 0 HE1 TYR A 42 11.898 -9.192 1.682 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.310 -5.474 0.326 1.00 0.00 H new ATOM 0 HH TYR A 42 12.180 -6.529 -0.568 1.00 0.00 H new ATOM 655 N TYR A 43 8.794 -9.255 5.809 1.00 0.00 N ATOM 656 CA TYR A 43 9.908 -9.870 6.521 1.00 0.00 C ATOM 657 C TYR A 43 10.007 -11.357 6.197 1.00 0.00 C ATOM 658 O TYR A 43 8.999 -12.021 5.952 1.00 0.00 O ATOM 659 CB TYR A 43 9.746 -9.675 8.030 1.00 0.00 C ATOM 660 CG TYR A 43 9.231 -8.305 8.411 1.00 0.00 C ATOM 661 CD1 TYR A 43 7.927 -7.926 8.122 1.00 0.00 C ATOM 662 CD2 TYR A 43 10.050 -7.391 9.063 1.00 0.00 C ATOM 663 CE1 TYR A 43 7.453 -6.675 8.468 1.00 0.00 C ATOM 664 CE2 TYR A 43 9.584 -6.138 9.414 1.00 0.00 C ATOM 665 CZ TYR A 43 8.285 -5.785 9.114 1.00 0.00 C ATOM 666 OH TYR A 43 7.817 -4.539 9.462 1.00 0.00 O ATOM 0 H TYR A 43 7.954 -9.832 5.761 1.00 0.00 H new ATOM 0 HA TYR A 43 10.827 -9.384 6.195 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.061 -10.431 8.414 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.708 -9.840 8.515 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.272 -8.621 7.618 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.068 -7.664 9.299 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.436 -6.396 8.234 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.233 -5.439 9.920 1.00 0.00 H new ATOM 0 HH TYR A 43 8.528 -4.036 9.911 1.00 0.00 H new ATOM 676 N LYS A 44 11.230 -11.876 6.198 1.00 0.00 N ATOM 677 CA LYS A 44 11.464 -13.285 5.907 1.00 0.00 C ATOM 678 C LYS A 44 10.505 -14.171 6.696 1.00 0.00 C ATOM 679 O LYS A 44 10.063 -15.211 6.209 1.00 0.00 O ATOM 680 CB LYS A 44 12.911 -13.662 6.236 1.00 0.00 C ATOM 681 CG LYS A 44 13.893 -13.336 5.124 1.00 0.00 C ATOM 682 CD LYS A 44 14.013 -14.482 4.134 1.00 0.00 C ATOM 683 CE LYS A 44 14.819 -14.076 2.908 1.00 0.00 C ATOM 684 NZ LYS A 44 14.848 -15.155 1.882 1.00 0.00 N ATOM 0 H LYS A 44 12.075 -11.341 6.397 1.00 0.00 H new ATOM 0 HA LYS A 44 11.286 -13.444 4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.216 -13.140 7.143 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.960 -14.730 6.451 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.568 -12.436 4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.872 -13.120 5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.489 -15.335 4.618 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.018 -14.805 3.827 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.390 -13.173 2.474 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.838 -13.832 3.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.406 -14.840 1.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.281 -16.009 2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.877 -15.370 1.577 1.00 0.00 H new ATOM 698 N ASP A 45 10.186 -13.751 7.915 1.00 0.00 N ATOM 699 CA ASP A 45 9.277 -14.504 8.770 1.00 0.00 C ATOM 700 C ASP A 45 8.448 -13.566 9.642 1.00 0.00 C ATOM 701 O ASP A 45 8.548 -12.346 9.525 1.00 0.00 O ATOM 702 CB ASP A 45 10.061 -15.479 9.651 1.00 0.00 C ATOM 703 CG ASP A 45 11.361 -14.885 10.156 1.00 0.00 C ATOM 704 OD1 ASP A 45 12.156 -14.400 9.323 1.00 0.00 O ATOM 705 OD2 ASP A 45 11.584 -14.904 11.384 1.00 0.00 O ATOM 0 H ASP A 45 10.544 -12.892 8.333 1.00 0.00 H new ATOM 0 HA ASP A 45 8.600 -15.069 8.129 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.445 -15.773 10.501 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.275 -16.385 9.084 1.00 0.00 H new ATOM 710 N GLU A 46 7.629 -14.146 10.514 1.00 0.00 N ATOM 711 CA GLU A 46 6.781 -13.361 11.403 1.00 0.00 C ATOM 712 C GLU A 46 7.592 -12.786 12.561 1.00 0.00 C ATOM 713 O GLU A 46 7.195 -12.887 13.722 1.00 0.00 O ATOM 714 CB GLU A 46 5.637 -14.221 11.944 1.00 0.00 C ATOM 715 CG GLU A 46 6.106 -15.472 12.669 1.00 0.00 C ATOM 716 CD GLU A 46 5.041 -16.052 13.579 1.00 0.00 C ATOM 717 OE1 GLU A 46 4.463 -15.287 14.379 1.00 0.00 O ATOM 718 OE2 GLU A 46 4.787 -17.272 13.493 1.00 0.00 O ATOM 0 H GLU A 46 7.535 -15.156 10.624 1.00 0.00 H new ATOM 0 HA GLU A 46 6.364 -12.534 10.829 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.034 -13.621 12.625 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.990 -14.512 11.117 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.401 -16.223 11.936 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.992 -15.236 13.258 1.00 0.00 H new ATOM 725 N LYS A 47 8.731 -12.184 12.236 1.00 0.00 N ATOM 726 CA LYS A 47 9.599 -11.592 13.247 1.00 0.00 C ATOM 727 C LYS A 47 9.402 -10.081 13.316 1.00 0.00 C ATOM 728 O LYS A 47 9.594 -9.469 14.366 1.00 0.00 O ATOM 729 CB LYS A 47 11.064 -11.913 12.942 1.00 0.00 C ATOM 730 CG LYS A 47 11.431 -11.745 11.478 1.00 0.00 C ATOM 731 CD LYS A 47 12.936 -11.670 11.286 1.00 0.00 C ATOM 732 CE LYS A 47 13.301 -10.833 10.069 1.00 0.00 C ATOM 733 NZ LYS A 47 12.999 -11.544 8.796 1.00 0.00 N ATOM 0 H LYS A 47 9.075 -12.093 11.280 1.00 0.00 H new ATOM 0 HA LYS A 47 9.333 -12.020 14.214 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.702 -11.266 13.544 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.273 -12.939 13.245 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.031 -12.581 10.903 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.968 -10.839 11.087 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.397 -11.241 12.176 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.340 -12.676 11.172 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.753 -9.891 10.098 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.362 -10.585 10.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.882 -11.706 8.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.549 -12.457 9.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.355 -10.965 8.220 1.00 0.00 H new ATOM 747 N GLU A 48 9.017 -9.487 12.190 1.00 0.00 N ATOM 748 CA GLU A 48 8.794 -8.047 12.125 1.00 0.00 C ATOM 749 C GLU A 48 9.853 -7.296 12.928 1.00 0.00 C ATOM 750 O GLU A 48 9.541 -6.353 13.654 1.00 0.00 O ATOM 751 CB GLU A 48 7.399 -7.701 12.649 1.00 0.00 C ATOM 752 CG GLU A 48 6.964 -8.551 13.831 1.00 0.00 C ATOM 753 CD GLU A 48 5.550 -8.243 14.282 1.00 0.00 C ATOM 754 OE1 GLU A 48 5.152 -7.061 14.219 1.00 0.00 O ATOM 755 OE2 GLU A 48 4.841 -9.184 14.697 1.00 0.00 O ATOM 0 H GLU A 48 8.853 -9.980 11.312 1.00 0.00 H new ATOM 0 HA GLU A 48 8.869 -7.740 11.082 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.380 -6.651 12.941 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.677 -7.820 11.841 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.034 -9.605 13.561 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.650 -8.389 14.662 1.00 0.00 H new ATOM 762 N GLU A 49 11.105 -7.722 12.790 1.00 0.00 N ATOM 763 CA GLU A 49 12.208 -7.090 13.503 1.00 0.00 C ATOM 764 C GLU A 49 12.998 -6.169 12.578 1.00 0.00 C ATOM 765 O GLU A 49 12.999 -4.950 12.750 1.00 0.00 O ATOM 766 CB GLU A 49 13.136 -8.152 14.096 1.00 0.00 C ATOM 767 CG GLU A 49 12.598 -8.789 15.367 1.00 0.00 C ATOM 768 CD GLU A 49 12.997 -8.027 16.615 1.00 0.00 C ATOM 769 OE1 GLU A 49 12.611 -6.846 16.740 1.00 0.00 O ATOM 770 OE2 GLU A 49 13.697 -8.612 17.469 1.00 0.00 O ATOM 0 H GLU A 49 11.380 -8.501 12.192 1.00 0.00 H new ATOM 0 HA GLU A 49 11.788 -6.491 14.311 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.305 -8.931 13.353 1.00 0.00 H new ATOM 0 HB3 GLU A 49 14.104 -7.699 14.308 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.511 -8.842 15.310 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.964 -9.813 15.439 1.00 0.00 H new ATOM 777 N SER A 50 13.670 -6.761 11.595 1.00 0.00 N ATOM 778 CA SER A 50 14.467 -5.995 10.645 1.00 0.00 C ATOM 779 C SER A 50 13.868 -6.075 9.244 1.00 0.00 C ATOM 780 O SER A 50 13.984 -7.096 8.565 1.00 0.00 O ATOM 781 CB SER A 50 15.908 -6.509 10.625 1.00 0.00 C ATOM 782 OG SER A 50 16.451 -6.556 11.933 1.00 0.00 O ATOM 0 H SER A 50 13.678 -7.769 11.436 1.00 0.00 H new ATOM 0 HA SER A 50 14.464 -4.953 10.964 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.936 -7.504 10.180 1.00 0.00 H new ATOM 0 HB3 SER A 50 16.520 -5.861 9.997 1.00 0.00 H new ATOM 0 HG SER A 50 17.372 -6.889 11.893 1.00 0.00 H new ATOM 788 N ILE A 51 13.227 -4.992 8.819 1.00 0.00 N ATOM 789 CA ILE A 51 12.610 -4.938 7.500 1.00 0.00 C ATOM 790 C ILE A 51 13.645 -5.148 6.400 1.00 0.00 C ATOM 791 O ILE A 51 14.729 -4.563 6.432 1.00 0.00 O ATOM 792 CB ILE A 51 11.895 -3.594 7.267 1.00 0.00 C ATOM 793 CG1 ILE A 51 10.762 -3.412 8.279 1.00 0.00 C ATOM 794 CG2 ILE A 51 11.359 -3.518 5.845 1.00 0.00 C ATOM 795 CD1 ILE A 51 10.096 -2.056 8.203 1.00 0.00 C ATOM 0 H ILE A 51 13.121 -4.140 9.369 1.00 0.00 H new ATOM 0 HA ILE A 51 11.875 -5.742 7.463 1.00 0.00 H new ATOM 0 HB ILE A 51 12.615 -2.788 7.407 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.012 -4.186 8.116 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.157 -3.558 9.284 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.856 -2.562 5.696 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.185 -3.607 5.140 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.651 -4.330 5.679 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.303 -1.998 8.949 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.834 -1.277 8.396 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.671 -1.915 7.209 1.00 0.00 H new ATOM 807 N LEU A 52 13.304 -5.984 5.426 1.00 0.00 N ATOM 808 CA LEU A 52 14.203 -6.270 4.313 1.00 0.00 C ATOM 809 C LEU A 52 13.909 -5.358 3.127 1.00 0.00 C ATOM 810 O LEU A 52 14.823 -4.850 2.479 1.00 0.00 O ATOM 811 CB LEU A 52 14.073 -7.734 3.890 1.00 0.00 C ATOM 812 CG LEU A 52 14.336 -8.774 4.980 1.00 0.00 C ATOM 813 CD1 LEU A 52 13.538 -10.041 4.713 1.00 0.00 C ATOM 814 CD2 LEU A 52 15.823 -9.087 5.070 1.00 0.00 C ATOM 0 H LEU A 52 12.411 -6.476 5.384 1.00 0.00 H new ATOM 0 HA LEU A 52 15.224 -6.084 4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 52 13.067 -7.891 3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.765 -7.916 3.067 1.00 0.00 H new ATOM 0 HG LEU A 52 14.013 -8.361 5.936 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.738 -10.769 5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.474 -9.805 4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.829 -10.458 3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.992 -9.829 5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.171 -9.480 4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 52 16.373 -8.177 5.309 1.00 0.00 H new ATOM 826 N GLY A 53 12.625 -5.153 2.849 1.00 0.00 N ATOM 827 CA GLY A 53 12.233 -4.300 1.742 1.00 0.00 C ATOM 828 C GLY A 53 10.903 -3.612 1.982 1.00 0.00 C ATOM 829 O GLY A 53 9.997 -4.190 2.583 1.00 0.00 O ATOM 0 H GLY A 53 11.850 -5.562 3.370 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.004 -3.547 1.577 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.171 -4.897 0.832 1.00 0.00 H new ATOM 833 N SER A 54 10.786 -2.374 1.515 1.00 0.00 N ATOM 834 CA SER A 54 9.559 -1.604 1.687 1.00 0.00 C ATOM 835 C SER A 54 8.841 -1.421 0.354 1.00 0.00 C ATOM 836 O SER A 54 9.476 -1.296 -0.694 1.00 0.00 O ATOM 837 CB SER A 54 9.871 -0.239 2.303 1.00 0.00 C ATOM 838 OG SER A 54 8.786 0.657 2.134 1.00 0.00 O ATOM 0 H SER A 54 11.526 -1.882 1.014 1.00 0.00 H new ATOM 0 HA SER A 54 8.903 -2.157 2.360 1.00 0.00 H new ATOM 0 HB2 SER A 54 10.088 -0.357 3.365 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.766 0.177 1.839 1.00 0.00 H new ATOM 0 HG SER A 54 8.336 0.792 2.994 1.00 0.00 H new ATOM 844 N ILE A 55 7.513 -1.406 0.401 1.00 0.00 N ATOM 845 CA ILE A 55 6.708 -1.237 -0.802 1.00 0.00 C ATOM 846 C ILE A 55 5.719 -0.087 -0.644 1.00 0.00 C ATOM 847 O ILE A 55 4.703 -0.199 0.043 1.00 0.00 O ATOM 848 CB ILE A 55 5.934 -2.523 -1.146 1.00 0.00 C ATOM 849 CG1 ILE A 55 6.900 -3.697 -1.311 1.00 0.00 C ATOM 850 CG2 ILE A 55 5.113 -2.324 -2.412 1.00 0.00 C ATOM 851 CD1 ILE A 55 6.234 -5.050 -1.189 1.00 0.00 C ATOM 0 H ILE A 55 6.972 -1.509 1.260 1.00 0.00 H new ATOM 0 HA ILE A 55 7.398 -1.010 -1.615 1.00 0.00 H new ATOM 0 HB ILE A 55 5.253 -2.750 -0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.383 -3.625 -2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.686 -3.619 -0.560 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.572 -3.241 -2.642 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.402 -1.511 -2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.776 -2.076 -3.241 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.979 -5.835 -1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.775 -5.142 -0.205 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.467 -5.149 -1.958 1.00 0.00 H new ATOM 863 N PRO A 56 6.018 1.045 -1.297 1.00 0.00 N ATOM 864 CA PRO A 56 5.166 2.237 -1.247 1.00 0.00 C ATOM 865 C PRO A 56 3.850 2.041 -1.992 1.00 0.00 C ATOM 866 O PRO A 56 3.831 1.543 -3.118 1.00 0.00 O ATOM 867 CB PRO A 56 6.015 3.309 -1.934 1.00 0.00 C ATOM 868 CG PRO A 56 6.928 2.550 -2.834 1.00 0.00 C ATOM 869 CD PRO A 56 7.212 1.250 -2.135 1.00 0.00 C ATOM 0 HA PRO A 56 4.879 2.490 -0.226 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.394 4.006 -2.497 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.575 3.897 -1.207 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.464 2.378 -3.805 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.848 3.105 -3.014 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.350 0.434 -2.844 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.120 1.307 -1.534 1.00 0.00 H new ATOM 877 N LEU A 57 2.752 2.434 -1.356 1.00 0.00 N ATOM 878 CA LEU A 57 1.430 2.302 -1.960 1.00 0.00 C ATOM 879 C LEU A 57 0.670 3.623 -1.900 1.00 0.00 C ATOM 880 O LEU A 57 -0.446 3.686 -1.383 1.00 0.00 O ATOM 881 CB LEU A 57 0.631 1.208 -1.249 1.00 0.00 C ATOM 882 CG LEU A 57 1.095 -0.229 -1.494 1.00 0.00 C ATOM 883 CD1 LEU A 57 0.313 -1.198 -0.622 1.00 0.00 C ATOM 884 CD2 LEU A 57 0.948 -0.593 -2.964 1.00 0.00 C ATOM 0 H LEU A 57 2.750 2.846 -0.423 1.00 0.00 H new ATOM 0 HA LEU A 57 1.561 2.027 -3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.663 1.401 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.412 1.289 -1.556 1.00 0.00 H new ATOM 0 HG LEU A 57 2.149 -0.301 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.657 -2.215 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.469 -0.950 0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.749 -1.124 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.283 -1.619 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.098 -0.504 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.554 0.082 -3.568 1.00 0.00 H new ATOM 896 N LEU A 58 1.280 4.675 -2.434 1.00 0.00 N ATOM 897 CA LEU A 58 0.659 5.995 -2.445 1.00 0.00 C ATOM 898 C LEU A 58 -0.415 6.084 -3.524 1.00 0.00 C ATOM 899 O LEU A 58 -1.595 6.269 -3.226 1.00 0.00 O ATOM 900 CB LEU A 58 1.718 7.076 -2.673 1.00 0.00 C ATOM 901 CG LEU A 58 1.190 8.478 -2.979 1.00 0.00 C ATOM 902 CD1 LEU A 58 -0.008 8.801 -2.100 1.00 0.00 C ATOM 903 CD2 LEU A 58 2.288 9.514 -2.790 1.00 0.00 C ATOM 0 H LEU A 58 2.204 4.640 -2.865 1.00 0.00 H new ATOM 0 HA LEU A 58 0.187 6.155 -1.476 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.348 7.132 -1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.357 6.762 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 58 0.868 8.505 -4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.370 9.803 -2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.801 8.077 -2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.287 8.756 -1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.894 10.506 -3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.641 9.486 -1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.116 9.293 -3.463 1.00 0.00 H new ATOM 915 N SER A 59 0.001 5.947 -4.779 1.00 0.00 N ATOM 916 CA SER A 59 -0.925 6.014 -5.903 1.00 0.00 C ATOM 917 C SER A 59 -0.762 4.800 -6.814 1.00 0.00 C ATOM 918 O SER A 59 -0.803 4.919 -8.038 1.00 0.00 O ATOM 919 CB SER A 59 -0.700 7.299 -6.702 1.00 0.00 C ATOM 920 OG SER A 59 -1.464 8.369 -6.172 1.00 0.00 O ATOM 0 H SER A 59 0.974 5.789 -5.043 1.00 0.00 H new ATOM 0 HA SER A 59 -1.940 6.015 -5.506 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.358 7.560 -6.686 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.972 7.135 -7.745 1.00 0.00 H new ATOM 0 HG SER A 59 -1.302 9.179 -6.699 1.00 0.00 H new ATOM 926 N PHE A 60 -0.576 3.633 -6.206 1.00 0.00 N ATOM 927 CA PHE A 60 -0.405 2.397 -6.961 1.00 0.00 C ATOM 928 C PHE A 60 -1.748 1.877 -7.463 1.00 0.00 C ATOM 929 O PHE A 60 -2.791 2.485 -7.223 1.00 0.00 O ATOM 930 CB PHE A 60 0.274 1.335 -6.094 1.00 0.00 C ATOM 931 CG PHE A 60 1.774 1.369 -6.169 1.00 0.00 C ATOM 932 CD1 PHE A 60 2.480 2.462 -5.694 1.00 0.00 C ATOM 933 CD2 PHE A 60 2.477 0.307 -6.715 1.00 0.00 C ATOM 934 CE1 PHE A 60 3.860 2.495 -5.763 1.00 0.00 C ATOM 935 CE2 PHE A 60 3.857 0.335 -6.787 1.00 0.00 C ATOM 936 CZ PHE A 60 4.550 1.430 -6.309 1.00 0.00 C ATOM 0 H PHE A 60 -0.540 3.517 -5.193 1.00 0.00 H new ATOM 0 HA PHE A 60 0.227 2.611 -7.823 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.033 1.473 -5.057 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.075 0.349 -6.401 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.946 3.297 -5.265 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.940 -0.553 -7.089 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.399 3.353 -5.390 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.393 -0.498 -7.217 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.628 1.454 -6.362 1.00 0.00 H new ATOM 946 N ARG A 61 -1.714 0.748 -8.164 1.00 0.00 N ATOM 947 CA ARG A 61 -2.928 0.146 -8.702 1.00 0.00 C ATOM 948 C ARG A 61 -3.007 -1.335 -8.341 1.00 0.00 C ATOM 949 O ARG A 61 -2.487 -2.188 -9.060 1.00 0.00 O ATOM 950 CB ARG A 61 -2.975 0.314 -10.222 1.00 0.00 C ATOM 951 CG ARG A 61 -4.259 -0.199 -10.852 1.00 0.00 C ATOM 952 CD ARG A 61 -4.267 0.017 -12.357 1.00 0.00 C ATOM 953 NE ARG A 61 -4.572 1.401 -12.710 1.00 0.00 N ATOM 954 CZ ARG A 61 -4.202 1.967 -13.853 1.00 0.00 C ATOM 955 NH1 ARG A 61 -3.517 1.271 -14.750 1.00 0.00 N ATOM 956 NH2 ARG A 61 -4.518 3.232 -14.102 1.00 0.00 N ATOM 0 H ARG A 61 -0.859 0.232 -8.372 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.784 0.656 -8.260 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.857 1.370 -10.466 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.128 -0.212 -10.663 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.373 -1.261 -10.635 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.113 0.310 -10.406 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.295 -0.256 -12.767 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.003 -0.644 -12.814 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.098 1.964 -12.042 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.273 0.298 -14.563 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.234 1.708 -15.627 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.046 3.771 -13.415 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.233 3.665 -14.980 1.00 0.00 H new ATOM 970 N VAL A 62 -3.660 -1.632 -7.223 1.00 0.00 N ATOM 971 CA VAL A 62 -3.808 -3.009 -6.766 1.00 0.00 C ATOM 972 C VAL A 62 -5.173 -3.571 -7.149 1.00 0.00 C ATOM 973 O VAL A 62 -6.203 -2.939 -6.917 1.00 0.00 O ATOM 974 CB VAL A 62 -3.630 -3.116 -5.240 1.00 0.00 C ATOM 975 CG1 VAL A 62 -3.465 -4.569 -4.823 1.00 0.00 C ATOM 976 CG2 VAL A 62 -2.442 -2.283 -4.783 1.00 0.00 C ATOM 0 H VAL A 62 -4.096 -0.937 -6.616 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.028 -3.591 -7.257 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.526 -2.724 -4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.340 -4.625 -3.742 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.350 -5.134 -5.116 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.587 -4.990 -5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.331 -2.370 -3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.536 -2.643 -5.271 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.607 -1.239 -5.048 1.00 0.00 H new ATOM 986 N ALA A 63 -5.172 -4.763 -7.735 1.00 0.00 N ATOM 987 CA ALA A 63 -6.410 -5.413 -8.148 1.00 0.00 C ATOM 988 C ALA A 63 -6.145 -6.825 -8.660 1.00 0.00 C ATOM 989 O ALA A 63 -5.033 -7.145 -9.078 1.00 0.00 O ATOM 990 CB ALA A 63 -7.110 -4.585 -9.216 1.00 0.00 C ATOM 0 H ALA A 63 -4.327 -5.299 -7.935 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.060 -5.487 -7.277 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.033 -5.082 -9.515 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.343 -3.598 -8.817 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.457 -4.481 -10.082 1.00 0.00 H new ATOM 996 N ALA A 64 -7.174 -7.665 -8.623 1.00 0.00 N ATOM 997 CA ALA A 64 -7.052 -9.042 -9.085 1.00 0.00 C ATOM 998 C ALA A 64 -6.260 -9.117 -10.385 1.00 0.00 C ATOM 999 O ALA A 64 -6.457 -8.308 -11.292 1.00 0.00 O ATOM 1000 CB ALA A 64 -8.430 -9.661 -9.267 1.00 0.00 C ATOM 0 H ALA A 64 -8.101 -7.416 -8.278 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.509 -9.607 -8.327 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.324 -10.689 -9.612 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.962 -9.651 -8.316 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.992 -9.087 -10.004 1.00 0.00 H new ATOM 1006 N VAL A 65 -5.363 -10.094 -10.471 1.00 0.00 N ATOM 1007 CA VAL A 65 -4.541 -10.275 -11.661 1.00 0.00 C ATOM 1008 C VAL A 65 -5.396 -10.641 -12.869 1.00 0.00 C ATOM 1009 O VAL A 65 -6.619 -10.734 -12.770 1.00 0.00 O ATOM 1010 CB VAL A 65 -3.478 -11.369 -11.448 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -2.460 -10.930 -10.407 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -4.136 -12.679 -11.042 1.00 0.00 C ATOM 0 H VAL A 65 -5.187 -10.773 -9.730 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.041 -9.325 -11.848 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.953 -11.529 -12.390 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.717 -11.716 -10.270 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.966 -10.018 -10.743 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.966 -10.741 -9.460 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.370 -13.441 -10.896 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.688 -12.536 -10.113 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.822 -13.000 -11.826 1.00 0.00 H new ATOM 1022 N GLN A 66 -4.743 -10.849 -14.008 1.00 0.00 N ATOM 1023 CA GLN A 66 -5.444 -11.204 -15.236 1.00 0.00 C ATOM 1024 C GLN A 66 -4.793 -12.411 -15.905 1.00 0.00 C ATOM 1025 O GLN A 66 -3.647 -12.763 -15.625 1.00 0.00 O ATOM 1026 CB GLN A 66 -5.461 -10.018 -16.201 1.00 0.00 C ATOM 1027 CG GLN A 66 -6.680 -9.123 -16.046 1.00 0.00 C ATOM 1028 CD GLN A 66 -7.816 -9.520 -16.968 1.00 0.00 C ATOM 1029 OE1 GLN A 66 -8.630 -10.381 -16.634 1.00 0.00 O ATOM 1030 NE2 GLN A 66 -7.877 -8.891 -18.136 1.00 0.00 N ATOM 0 H GLN A 66 -3.730 -10.778 -14.106 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.470 -11.465 -14.976 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.561 -9.422 -16.047 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.424 -10.392 -17.224 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.025 -9.161 -15.013 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.396 -8.090 -16.249 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -7.181 -8.184 -18.371 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -8.620 -9.115 -18.798 1.00 0.00 H new ATOM 1039 N PRO A 67 -5.540 -13.061 -16.810 1.00 0.00 N ATOM 1040 CA PRO A 67 -5.056 -14.237 -17.537 1.00 0.00 C ATOM 1041 C PRO A 67 -3.964 -13.888 -18.544 1.00 0.00 C ATOM 1042 O PRO A 67 -3.331 -14.773 -19.120 1.00 0.00 O ATOM 1043 CB PRO A 67 -6.305 -14.748 -18.259 1.00 0.00 C ATOM 1044 CG PRO A 67 -7.175 -13.547 -18.406 1.00 0.00 C ATOM 1045 CD PRO A 67 -6.914 -12.697 -17.193 1.00 0.00 C ATOM 0 HA PRO A 67 -4.603 -14.970 -16.869 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.054 -15.176 -19.229 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.803 -15.529 -17.685 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.940 -13.004 -19.321 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.226 -13.831 -18.465 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.999 -11.635 -17.421 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.624 -12.909 -16.393 1.00 0.00 H new ATOM 1053 N SER A 68 -3.749 -12.593 -18.751 1.00 0.00 N ATOM 1054 CA SER A 68 -2.736 -12.127 -19.691 1.00 0.00 C ATOM 1055 C SER A 68 -1.383 -11.978 -19.002 1.00 0.00 C ATOM 1056 O SER A 68 -0.350 -11.852 -19.659 1.00 0.00 O ATOM 1057 CB SER A 68 -3.157 -10.791 -20.306 1.00 0.00 C ATOM 1058 OG SER A 68 -4.143 -10.978 -21.306 1.00 0.00 O ATOM 0 H SER A 68 -4.263 -11.848 -18.281 1.00 0.00 H new ATOM 0 HA SER A 68 -2.641 -12.870 -20.483 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.545 -10.135 -19.527 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.287 -10.295 -20.737 1.00 0.00 H new ATOM 0 HG SER A 68 -4.396 -10.109 -21.682 1.00 0.00 H new ATOM 1144 N LYS A 74 -4.696 -18.954 -8.231 1.00 0.00 N ATOM 1145 CA LYS A 74 -5.962 -18.397 -7.770 1.00 0.00 C ATOM 1146 C LYS A 74 -5.754 -17.509 -6.548 1.00 0.00 C ATOM 1147 O LYS A 74 -4.849 -17.742 -5.746 1.00 0.00 O ATOM 1148 CB LYS A 74 -6.945 -19.521 -7.435 1.00 0.00 C ATOM 1149 CG LYS A 74 -7.734 -20.017 -8.635 1.00 0.00 C ATOM 1150 CD LYS A 74 -8.896 -19.093 -8.959 1.00 0.00 C ATOM 1151 CE LYS A 74 -10.029 -19.842 -9.644 1.00 0.00 C ATOM 1152 NZ LYS A 74 -9.642 -20.310 -11.004 1.00 0.00 N ATOM 0 HA LYS A 74 -6.376 -17.787 -8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.395 -20.356 -7.002 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.641 -19.169 -6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.075 -20.091 -9.500 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.111 -21.020 -8.435 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.264 -18.634 -8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.551 -18.285 -9.603 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.319 -20.698 -9.034 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.901 -19.193 -9.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.441 -20.816 -11.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.389 -19.492 -11.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.825 -20.950 -10.932 1.00 0.00 H new ATOM 1166 N HIS A 75 -6.598 -16.491 -6.411 1.00 0.00 N ATOM 1167 CA HIS A 75 -6.507 -15.569 -5.284 1.00 0.00 C ATOM 1168 C HIS A 75 -5.205 -14.776 -5.335 1.00 0.00 C ATOM 1169 O HIS A 75 -4.549 -14.571 -4.313 1.00 0.00 O ATOM 1170 CB HIS A 75 -6.601 -16.334 -3.963 1.00 0.00 C ATOM 1171 CG HIS A 75 -7.487 -17.539 -4.031 1.00 0.00 C ATOM 1172 ND1 HIS A 75 -8.730 -17.527 -4.627 1.00 0.00 N ATOM 1173 CD2 HIS A 75 -7.302 -18.800 -3.574 1.00 0.00 C ATOM 1174 CE1 HIS A 75 -9.273 -18.728 -4.532 1.00 0.00 C ATOM 1175 NE2 HIS A 75 -8.426 -19.519 -3.897 1.00 0.00 N ATOM 0 H HIS A 75 -7.352 -16.284 -7.066 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.340 -14.870 -5.350 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.601 -16.645 -3.661 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -6.973 -15.662 -3.189 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.432 -19.171 -3.052 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.244 -19.014 -4.909 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.582 -20.504 -3.682 1.00 0.00 H new ATOM 1184 N THR A 76 -4.834 -14.332 -6.532 1.00 0.00 N ATOM 1185 CA THR A 76 -3.610 -13.563 -6.717 1.00 0.00 C ATOM 1186 C THR A 76 -3.908 -12.188 -7.305 1.00 0.00 C ATOM 1187 O THR A 76 -4.709 -12.058 -8.230 1.00 0.00 O ATOM 1188 CB THR A 76 -2.618 -14.299 -7.638 1.00 0.00 C ATOM 1189 OG1 THR A 76 -2.505 -15.670 -7.240 1.00 0.00 O ATOM 1190 CG2 THR A 76 -1.249 -13.638 -7.596 1.00 0.00 C ATOM 0 H THR A 76 -5.365 -14.492 -7.388 1.00 0.00 H new ATOM 0 HA THR A 76 -3.160 -13.444 -5.732 1.00 0.00 H new ATOM 0 HB THR A 76 -2.997 -14.248 -8.659 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.874 -16.131 -7.831 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.565 -14.175 -8.254 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.334 -12.603 -7.928 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.865 -13.662 -6.576 1.00 0.00 H new ATOM 1198 N PHE A 77 -3.257 -11.165 -6.762 1.00 0.00 N ATOM 1199 CA PHE A 77 -3.452 -9.798 -7.233 1.00 0.00 C ATOM 1200 C PHE A 77 -2.124 -9.169 -7.644 1.00 0.00 C ATOM 1201 O PHE A 77 -1.054 -9.658 -7.281 1.00 0.00 O ATOM 1202 CB PHE A 77 -4.116 -8.951 -6.146 1.00 0.00 C ATOM 1203 CG PHE A 77 -3.560 -9.196 -4.772 1.00 0.00 C ATOM 1204 CD1 PHE A 77 -4.035 -10.239 -3.993 1.00 0.00 C ATOM 1205 CD2 PHE A 77 -2.561 -8.384 -4.259 1.00 0.00 C ATOM 1206 CE1 PHE A 77 -3.525 -10.468 -2.729 1.00 0.00 C ATOM 1207 CE2 PHE A 77 -2.047 -8.608 -2.996 1.00 0.00 C ATOM 1208 CZ PHE A 77 -2.531 -9.650 -2.230 1.00 0.00 C ATOM 0 H PHE A 77 -2.590 -11.256 -5.996 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.103 -9.831 -8.106 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.997 -7.896 -6.395 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.186 -9.158 -6.138 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.813 -10.881 -4.378 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.180 -7.567 -4.853 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.903 -11.285 -2.133 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.268 -7.969 -2.608 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.132 -9.825 -1.242 1.00 0.00 H new ATOM 1218 N LYS A 78 -2.201 -8.082 -8.404 1.00 0.00 N ATOM 1219 CA LYS A 78 -1.007 -7.384 -8.865 1.00 0.00 C ATOM 1220 C LYS A 78 -1.105 -5.889 -8.578 1.00 0.00 C ATOM 1221 O LYS A 78 -2.184 -5.303 -8.656 1.00 0.00 O ATOM 1222 CB LYS A 78 -0.803 -7.614 -10.364 1.00 0.00 C ATOM 1223 CG LYS A 78 -1.972 -7.148 -11.215 1.00 0.00 C ATOM 1224 CD LYS A 78 -1.565 -6.964 -12.668 1.00 0.00 C ATOM 1225 CE LYS A 78 -2.588 -6.137 -13.432 1.00 0.00 C ATOM 1226 NZ LYS A 78 -2.387 -6.230 -14.904 1.00 0.00 N ATOM 0 H LYS A 78 -3.079 -7.665 -8.714 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.151 -7.785 -8.322 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.099 -7.092 -10.684 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.636 -8.677 -10.541 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.782 -7.875 -11.152 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.357 -6.207 -10.822 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.592 -6.475 -12.715 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.456 -7.939 -13.143 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.592 -6.478 -13.180 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.518 -5.095 -13.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.103 -5.653 -15.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.438 -5.881 -15.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.479 -7.221 -15.205 1.00 0.00 H new ATOM 1240 N ALA A 79 0.028 -5.279 -8.247 1.00 0.00 N ATOM 1241 CA ALA A 79 0.069 -3.852 -7.952 1.00 0.00 C ATOM 1242 C ALA A 79 1.104 -3.142 -8.818 1.00 0.00 C ATOM 1243 O ALA A 79 2.295 -3.440 -8.747 1.00 0.00 O ATOM 1244 CB ALA A 79 0.368 -3.626 -6.477 1.00 0.00 C ATOM 0 H ALA A 79 0.930 -5.751 -8.176 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.910 -3.431 -8.182 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.396 -2.556 -6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.410 -4.092 -5.872 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.333 -4.068 -6.229 1.00 0.00 H new ATOM 1250 N GLU A 80 0.639 -2.203 -9.636 1.00 0.00 N ATOM 1251 CA GLU A 80 1.526 -1.452 -10.517 1.00 0.00 C ATOM 1252 C GLU A 80 1.227 0.043 -10.445 1.00 0.00 C ATOM 1253 O GLU A 80 0.091 0.449 -10.197 1.00 0.00 O ATOM 1254 CB GLU A 80 1.383 -1.942 -11.960 1.00 0.00 C ATOM 1255 CG GLU A 80 2.622 -1.707 -12.808 1.00 0.00 C ATOM 1256 CD GLU A 80 2.461 -2.213 -14.228 1.00 0.00 C ATOM 1257 OE1 GLU A 80 1.413 -2.825 -14.524 1.00 0.00 O ATOM 1258 OE2 GLU A 80 3.382 -1.999 -15.043 1.00 0.00 O ATOM 0 H GLU A 80 -0.345 -1.944 -9.707 1.00 0.00 H new ATOM 0 HA GLU A 80 2.551 -1.617 -10.184 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.155 -3.008 -11.952 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.535 -1.438 -12.424 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.846 -0.641 -12.829 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.475 -2.203 -12.344 1.00 0.00 H new ATOM 1265 N HIS A 81 2.254 0.857 -10.664 1.00 0.00 N ATOM 1266 CA HIS A 81 2.102 2.307 -10.624 1.00 0.00 C ATOM 1267 C HIS A 81 2.082 2.891 -12.033 1.00 0.00 C ATOM 1268 O HIS A 81 2.298 4.087 -12.223 1.00 0.00 O ATOM 1269 CB HIS A 81 3.236 2.938 -9.814 1.00 0.00 C ATOM 1270 CG HIS A 81 2.846 4.210 -9.126 1.00 0.00 C ATOM 1271 ND1 HIS A 81 3.634 4.824 -8.176 1.00 0.00 N ATOM 1272 CD2 HIS A 81 1.743 4.984 -9.256 1.00 0.00 C ATOM 1273 CE1 HIS A 81 3.032 5.921 -7.750 1.00 0.00 C ATOM 1274 NE2 HIS A 81 1.883 6.040 -8.390 1.00 0.00 N ATOM 0 H HIS A 81 3.200 0.538 -10.871 1.00 0.00 H new ATOM 0 HA HIS A 81 1.151 2.534 -10.142 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.580 2.222 -9.068 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.078 3.137 -10.477 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.540 4.485 -7.852 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.909 4.804 -9.918 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.415 6.604 -7.006 1.00 0.00 H new ATOM 1316 N ARG A 85 6.763 -0.046 -11.298 1.00 0.00 N ATOM 1317 CA ARG A 85 7.030 -1.467 -11.107 1.00 0.00 C ATOM 1318 C ARG A 85 5.729 -2.251 -10.968 1.00 0.00 C ATOM 1319 O ARG A 85 4.714 -1.717 -10.519 1.00 0.00 O ATOM 1320 CB ARG A 85 7.903 -1.682 -9.870 1.00 0.00 C ATOM 1321 CG ARG A 85 8.701 -2.975 -9.904 1.00 0.00 C ATOM 1322 CD ARG A 85 10.060 -2.773 -10.557 1.00 0.00 C ATOM 1323 NE ARG A 85 10.830 -4.013 -10.612 1.00 0.00 N ATOM 1324 CZ ARG A 85 12.121 -4.063 -10.919 1.00 0.00 C ATOM 1325 NH1 ARG A 85 12.784 -2.948 -11.196 1.00 0.00 N ATOM 1326 NH2 ARG A 85 12.753 -5.229 -10.949 1.00 0.00 N ATOM 0 HA ARG A 85 7.561 -1.832 -11.986 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.592 -0.843 -9.772 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.269 -1.680 -8.983 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.836 -3.348 -8.889 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.142 -3.735 -10.451 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.923 -2.386 -11.567 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.621 -2.022 -10.001 1.00 0.00 H new ATOM 0 HE ARG A 85 10.350 -4.888 -10.403 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.302 -2.049 -11.173 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.776 -2.989 -11.431 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.247 -6.089 -10.736 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.745 -5.266 -11.185 1.00 0.00 H new ATOM 1340 N THR A 86 5.765 -3.522 -11.357 1.00 0.00 N ATOM 1341 CA THR A 86 4.589 -4.379 -11.277 1.00 0.00 C ATOM 1342 C THR A 86 4.811 -5.526 -10.297 1.00 0.00 C ATOM 1343 O THR A 86 5.449 -6.525 -10.630 1.00 0.00 O ATOM 1344 CB THR A 86 4.223 -4.960 -12.655 1.00 0.00 C ATOM 1345 OG1 THR A 86 4.439 -3.978 -13.674 1.00 0.00 O ATOM 1346 CG2 THR A 86 2.771 -5.415 -12.683 1.00 0.00 C ATOM 0 H THR A 86 6.596 -3.980 -11.731 1.00 0.00 H new ATOM 0 HA THR A 86 3.767 -3.756 -10.924 1.00 0.00 H new ATOM 0 HB THR A 86 4.862 -5.823 -12.841 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.059 -4.295 -14.520 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.536 -5.822 -13.667 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.616 -6.184 -11.926 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.120 -4.566 -12.476 1.00 0.00 H new ATOM 1354 N TYR A 87 4.279 -5.377 -9.089 1.00 0.00 N ATOM 1355 CA TYR A 87 4.420 -6.401 -8.060 1.00 0.00 C ATOM 1356 C TYR A 87 3.314 -7.445 -8.176 1.00 0.00 C ATOM 1357 O TYR A 87 2.261 -7.190 -8.761 1.00 0.00 O ATOM 1358 CB TYR A 87 4.392 -5.763 -6.670 1.00 0.00 C ATOM 1359 CG TYR A 87 5.605 -4.913 -6.370 1.00 0.00 C ATOM 1360 CD1 TYR A 87 5.725 -3.630 -6.891 1.00 0.00 C ATOM 1361 CD2 TYR A 87 6.632 -5.391 -5.566 1.00 0.00 C ATOM 1362 CE1 TYR A 87 6.832 -2.849 -6.619 1.00 0.00 C ATOM 1363 CE2 TYR A 87 7.742 -4.617 -5.288 1.00 0.00 C ATOM 1364 CZ TYR A 87 7.837 -3.347 -5.817 1.00 0.00 C ATOM 1365 OH TYR A 87 8.942 -2.573 -5.544 1.00 0.00 O ATOM 0 H TYR A 87 3.746 -4.557 -8.798 1.00 0.00 H new ATOM 0 HA TYR A 87 5.379 -6.897 -8.205 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.497 -5.148 -6.580 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.316 -6.550 -5.920 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.939 -3.237 -7.519 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.561 -6.386 -5.151 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.910 -1.854 -7.032 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.531 -5.004 -4.660 1.00 0.00 H new ATOM 0 HH TYR A 87 9.555 -3.071 -4.964 1.00 0.00 H new ATOM 1375 N PHE A 88 3.561 -8.623 -7.612 1.00 0.00 N ATOM 1376 CA PHE A 88 2.587 -9.708 -7.651 1.00 0.00 C ATOM 1377 C PHE A 88 2.561 -10.463 -6.325 1.00 0.00 C ATOM 1378 O PHE A 88 3.603 -10.866 -5.807 1.00 0.00 O ATOM 1379 CB PHE A 88 2.912 -10.673 -8.794 1.00 0.00 C ATOM 1380 CG PHE A 88 2.541 -10.142 -10.149 1.00 0.00 C ATOM 1381 CD1 PHE A 88 1.264 -10.325 -10.654 1.00 0.00 C ATOM 1382 CD2 PHE A 88 3.470 -9.462 -10.919 1.00 0.00 C ATOM 1383 CE1 PHE A 88 0.919 -9.838 -11.901 1.00 0.00 C ATOM 1384 CE2 PHE A 88 3.132 -8.972 -12.167 1.00 0.00 C ATOM 1385 CZ PHE A 88 1.855 -9.161 -12.658 1.00 0.00 C ATOM 0 H PHE A 88 4.427 -8.850 -7.123 1.00 0.00 H new ATOM 0 HA PHE A 88 1.602 -9.273 -7.821 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.979 -10.895 -8.779 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.388 -11.614 -8.625 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.529 -10.855 -10.066 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.470 -9.313 -10.540 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.080 -9.987 -12.282 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.865 -8.442 -12.757 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.589 -8.780 -13.633 1.00 0.00 H new ATOM 1395 N PHE A 89 1.363 -10.651 -5.782 1.00 0.00 N ATOM 1396 CA PHE A 89 1.200 -11.356 -4.516 1.00 0.00 C ATOM 1397 C PHE A 89 0.067 -12.374 -4.602 1.00 0.00 C ATOM 1398 O PHE A 89 -0.995 -12.091 -5.158 1.00 0.00 O ATOM 1399 CB PHE A 89 0.924 -10.362 -3.386 1.00 0.00 C ATOM 1400 CG PHE A 89 1.898 -9.220 -3.341 1.00 0.00 C ATOM 1401 CD1 PHE A 89 3.210 -9.426 -2.945 1.00 0.00 C ATOM 1402 CD2 PHE A 89 1.503 -7.940 -3.695 1.00 0.00 C ATOM 1403 CE1 PHE A 89 4.108 -8.376 -2.902 1.00 0.00 C ATOM 1404 CE2 PHE A 89 2.396 -6.886 -3.655 1.00 0.00 C ATOM 1405 CZ PHE A 89 3.701 -7.105 -3.258 1.00 0.00 C ATOM 0 H PHE A 89 0.491 -10.325 -6.199 1.00 0.00 H new ATOM 0 HA PHE A 89 2.127 -11.888 -4.303 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.084 -9.965 -3.501 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.952 -10.891 -2.433 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.534 -10.418 -2.667 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.484 -7.764 -4.006 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.127 -8.549 -2.590 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.074 -5.893 -3.933 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.402 -6.284 -3.226 1.00 0.00 H new ATOM 1415 N SER A 90 0.300 -13.559 -4.048 1.00 0.00 N ATOM 1416 CA SER A 90 -0.699 -14.621 -4.065 1.00 0.00 C ATOM 1417 C SER A 90 -1.180 -14.938 -2.652 1.00 0.00 C ATOM 1418 O SER A 90 -0.376 -15.148 -1.744 1.00 0.00 O ATOM 1419 CB SER A 90 -0.124 -15.881 -4.715 1.00 0.00 C ATOM 1420 OG SER A 90 -1.025 -16.969 -4.604 1.00 0.00 O ATOM 0 H SER A 90 1.172 -13.808 -3.582 1.00 0.00 H new ATOM 0 HA SER A 90 -1.551 -14.275 -4.651 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.089 -15.687 -5.766 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.823 -16.139 -4.241 1.00 0.00 H new ATOM 0 HG SER A 90 -0.635 -17.761 -5.029 1.00 0.00 H new ATOM 1426 N ALA A 91 -2.496 -14.971 -2.475 1.00 0.00 N ATOM 1427 CA ALA A 91 -3.085 -15.264 -1.174 1.00 0.00 C ATOM 1428 C ALA A 91 -3.461 -16.737 -1.061 1.00 0.00 C ATOM 1429 O ALA A 91 -3.981 -17.328 -2.007 1.00 0.00 O ATOM 1430 CB ALA A 91 -4.306 -14.386 -0.938 1.00 0.00 C ATOM 0 H ALA A 91 -3.175 -14.798 -3.216 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.341 -15.046 -0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.736 -14.615 0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.011 -13.337 -0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.047 -14.576 -1.715 1.00 0.00 H new ATOM 1436 N GLU A 92 -3.193 -17.324 0.101 1.00 0.00 N ATOM 1437 CA GLU A 92 -3.502 -18.730 0.335 1.00 0.00 C ATOM 1438 C GLU A 92 -4.992 -18.999 0.142 1.00 0.00 C ATOM 1439 O GLU A 92 -5.379 -19.989 -0.479 1.00 0.00 O ATOM 1440 CB GLU A 92 -3.078 -19.140 1.747 1.00 0.00 C ATOM 1441 CG GLU A 92 -1.618 -18.849 2.053 1.00 0.00 C ATOM 1442 CD GLU A 92 -1.069 -19.724 3.162 1.00 0.00 C ATOM 1443 OE1 GLU A 92 -1.601 -19.654 4.290 1.00 0.00 O ATOM 1444 OE2 GLU A 92 -0.107 -20.478 2.904 1.00 0.00 O ATOM 0 H GLU A 92 -2.763 -16.848 0.894 1.00 0.00 H new ATOM 0 HA GLU A 92 -2.946 -19.323 -0.391 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.703 -18.618 2.471 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.262 -20.206 1.877 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.025 -18.998 1.151 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.512 -17.802 2.335 1.00 0.00 H new ATOM 1451 N SER A 93 -5.822 -18.110 0.678 1.00 0.00 N ATOM 1452 CA SER A 93 -7.269 -18.253 0.569 1.00 0.00 C ATOM 1453 C SER A 93 -7.868 -17.111 -0.246 1.00 0.00 C ATOM 1454 O SER A 93 -7.264 -16.051 -0.415 1.00 0.00 O ATOM 1455 CB SER A 93 -7.906 -18.291 1.960 1.00 0.00 C ATOM 1456 OG SER A 93 -7.931 -19.611 2.474 1.00 0.00 O ATOM 0 H SER A 93 -5.517 -17.283 1.192 1.00 0.00 H new ATOM 0 HA SER A 93 -7.479 -19.192 0.056 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.347 -17.644 2.637 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.921 -17.898 1.909 1.00 0.00 H new ATOM 0 HG SER A 93 -8.341 -19.608 3.364 1.00 0.00 H new ATOM 1462 N PRO A 94 -9.086 -17.330 -0.764 1.00 0.00 N ATOM 1463 CA PRO A 94 -9.794 -16.331 -1.570 1.00 0.00 C ATOM 1464 C PRO A 94 -10.255 -15.137 -0.740 1.00 0.00 C ATOM 1465 O PRO A 94 -10.249 -14.002 -1.214 1.00 0.00 O ATOM 1466 CB PRO A 94 -11.000 -17.103 -2.112 1.00 0.00 C ATOM 1467 CG PRO A 94 -11.225 -18.196 -1.124 1.00 0.00 C ATOM 1468 CD PRO A 94 -9.864 -18.569 -0.603 1.00 0.00 C ATOM 0 HA PRO A 94 -9.157 -15.908 -2.347 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.876 -16.460 -2.197 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.800 -17.503 -3.106 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -11.875 -17.863 -0.315 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.712 -19.052 -1.592 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -9.905 -18.885 0.439 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -9.429 -19.393 -1.169 1.00 0.00 H new ATOM 1476 N GLU A 95 -10.652 -15.403 0.500 1.00 0.00 N ATOM 1477 CA GLU A 95 -11.116 -14.349 1.395 1.00 0.00 C ATOM 1478 C GLU A 95 -10.027 -13.303 1.614 1.00 0.00 C ATOM 1479 O GLU A 95 -10.305 -12.105 1.666 1.00 0.00 O ATOM 1480 CB GLU A 95 -11.546 -14.942 2.738 1.00 0.00 C ATOM 1481 CG GLU A 95 -10.443 -15.714 3.444 1.00 0.00 C ATOM 1482 CD GLU A 95 -10.908 -16.337 4.745 1.00 0.00 C ATOM 1483 OE1 GLU A 95 -11.590 -15.642 5.527 1.00 0.00 O ATOM 1484 OE2 GLU A 95 -10.590 -17.522 4.982 1.00 0.00 O ATOM 0 H GLU A 95 -10.662 -16.338 0.908 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.974 -13.864 0.929 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.888 -14.137 3.388 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.396 -15.605 2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.072 -16.497 2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.607 -15.044 3.645 1.00 0.00 H new ATOM 1491 N GLU A 96 -8.787 -13.765 1.742 1.00 0.00 N ATOM 1492 CA GLU A 96 -7.657 -12.870 1.957 1.00 0.00 C ATOM 1493 C GLU A 96 -7.406 -12.005 0.725 1.00 0.00 C ATOM 1494 O GLU A 96 -7.279 -10.785 0.826 1.00 0.00 O ATOM 1495 CB GLU A 96 -6.399 -13.672 2.296 1.00 0.00 C ATOM 1496 CG GLU A 96 -6.219 -13.924 3.783 1.00 0.00 C ATOM 1497 CD GLU A 96 -5.219 -15.026 4.072 1.00 0.00 C ATOM 1498 OE1 GLU A 96 -5.631 -16.204 4.120 1.00 0.00 O ATOM 1499 OE2 GLU A 96 -4.024 -14.711 4.250 1.00 0.00 O ATOM 0 H GLU A 96 -8.540 -14.754 1.700 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.899 -12.217 2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.438 -14.629 1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.526 -13.139 1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.890 -13.004 4.266 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.181 -14.188 4.222 1.00 0.00 H new ATOM 1506 N GLN A 97 -7.335 -12.647 -0.436 1.00 0.00 N ATOM 1507 CA GLN A 97 -7.098 -11.937 -1.688 1.00 0.00 C ATOM 1508 C GLN A 97 -7.910 -10.648 -1.745 1.00 0.00 C ATOM 1509 O GLN A 97 -7.351 -9.554 -1.812 1.00 0.00 O ATOM 1510 CB GLN A 97 -7.451 -12.829 -2.879 1.00 0.00 C ATOM 1511 CG GLN A 97 -7.415 -12.103 -4.215 1.00 0.00 C ATOM 1512 CD GLN A 97 -8.357 -12.711 -5.235 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -9.306 -13.412 -4.881 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -8.101 -12.445 -6.510 1.00 0.00 N ATOM 0 H GLN A 97 -7.438 -13.657 -0.536 1.00 0.00 H new ATOM 0 HA GLN A 97 -6.040 -11.680 -1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.756 -13.668 -2.912 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -8.447 -13.245 -2.728 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.677 -11.056 -4.062 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.398 -12.123 -4.608 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.304 -11.859 -6.759 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.701 -12.826 -7.241 1.00 0.00 H new ATOM 1523 N GLU A 98 -9.232 -10.785 -1.717 1.00 0.00 N ATOM 1524 CA GLU A 98 -10.121 -9.630 -1.767 1.00 0.00 C ATOM 1525 C GLU A 98 -9.811 -8.656 -0.634 1.00 0.00 C ATOM 1526 O GLU A 98 -9.650 -7.457 -0.860 1.00 0.00 O ATOM 1527 CB GLU A 98 -11.582 -10.078 -1.683 1.00 0.00 C ATOM 1528 CG GLU A 98 -12.077 -10.777 -2.938 1.00 0.00 C ATOM 1529 CD GLU A 98 -12.251 -9.825 -4.106 1.00 0.00 C ATOM 1530 OE1 GLU A 98 -11.274 -9.623 -4.857 1.00 0.00 O ATOM 1531 OE2 GLU A 98 -13.364 -9.282 -4.267 1.00 0.00 O ATOM 0 H GLU A 98 -9.711 -11.684 -1.660 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.959 -9.120 -2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.699 -10.750 -0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.210 -9.208 -1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.372 -11.561 -3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.029 -11.264 -2.727 1.00 0.00 H new ATOM 1538 N ALA A 99 -9.729 -9.181 0.584 1.00 0.00 N ATOM 1539 CA ALA A 99 -9.436 -8.359 1.752 1.00 0.00 C ATOM 1540 C ALA A 99 -8.238 -7.450 1.498 1.00 0.00 C ATOM 1541 O ALA A 99 -8.275 -6.258 1.802 1.00 0.00 O ATOM 1542 CB ALA A 99 -9.186 -9.239 2.967 1.00 0.00 C ATOM 0 H ALA A 99 -9.861 -10.172 0.788 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.302 -7.727 1.947 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.968 -8.612 3.832 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.072 -9.841 3.169 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.338 -9.896 2.772 1.00 0.00 H new ATOM 1548 N TRP A 100 -7.177 -8.021 0.939 1.00 0.00 N ATOM 1549 CA TRP A 100 -5.967 -7.262 0.645 1.00 0.00 C ATOM 1550 C TRP A 100 -6.234 -6.201 -0.416 1.00 0.00 C ATOM 1551 O TRP A 100 -6.109 -5.004 -0.155 1.00 0.00 O ATOM 1552 CB TRP A 100 -4.853 -8.200 0.177 1.00 0.00 C ATOM 1553 CG TRP A 100 -4.109 -8.848 1.305 1.00 0.00 C ATOM 1554 CD1 TRP A 100 -4.295 -10.111 1.791 1.00 0.00 C ATOM 1555 CD2 TRP A 100 -3.062 -8.265 2.088 1.00 0.00 C ATOM 1556 NE1 TRP A 100 -3.426 -10.347 2.830 1.00 0.00 N ATOM 1557 CE2 TRP A 100 -2.659 -9.231 3.031 1.00 0.00 C ATOM 1558 CE3 TRP A 100 -2.424 -7.021 2.083 1.00 0.00 C ATOM 1559 CZ2 TRP A 100 -1.649 -8.989 3.958 1.00 0.00 C ATOM 1560 CZ3 TRP A 100 -1.422 -6.783 3.005 1.00 0.00 C ATOM 1561 CH2 TRP A 100 -1.042 -7.763 3.931 1.00 0.00 C ATOM 0 H TRP A 100 -7.130 -9.007 0.680 1.00 0.00 H new ATOM 0 HA TRP A 100 -5.651 -6.762 1.560 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -5.283 -8.975 -0.458 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.149 -7.639 -0.438 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -5.018 -10.820 1.415 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.363 -11.213 3.365 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -2.709 -6.260 1.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -1.355 -9.743 4.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.923 -5.825 3.012 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.254 -7.547 4.638 1.00 0.00 H new ATOM 1572 N ILE A 101 -6.603 -6.646 -1.612 1.00 0.00 N ATOM 1573 CA ILE A 101 -6.889 -5.733 -2.712 1.00 0.00 C ATOM 1574 C ILE A 101 -7.532 -4.447 -2.205 1.00 0.00 C ATOM 1575 O ILE A 101 -7.301 -3.369 -2.753 1.00 0.00 O ATOM 1576 CB ILE A 101 -7.818 -6.382 -3.755 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -7.086 -7.504 -4.494 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -8.324 -5.336 -4.737 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -7.982 -8.307 -5.411 1.00 0.00 C ATOM 0 H ILE A 101 -6.711 -7.633 -1.844 1.00 0.00 H new ATOM 0 HA ILE A 101 -5.935 -5.498 -3.184 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.676 -6.812 -3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.273 -7.073 -5.079 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.633 -8.174 -3.764 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.979 -5.810 -5.468 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.878 -4.568 -4.197 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.478 -4.880 -5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.397 -9.085 -5.902 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.780 -8.767 -4.829 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.415 -7.649 -6.164 1.00 0.00 H new ATOM 1591 N GLN A 102 -8.337 -4.568 -1.155 1.00 0.00 N ATOM 1592 CA GLN A 102 -9.012 -3.414 -0.573 1.00 0.00 C ATOM 1593 C GLN A 102 -8.142 -2.754 0.491 1.00 0.00 C ATOM 1594 O GLN A 102 -7.879 -1.553 0.435 1.00 0.00 O ATOM 1595 CB GLN A 102 -10.352 -3.833 0.034 1.00 0.00 C ATOM 1596 CG GLN A 102 -11.265 -4.553 -0.945 1.00 0.00 C ATOM 1597 CD GLN A 102 -12.734 -4.328 -0.647 1.00 0.00 C ATOM 1598 OE1 GLN A 102 -13.177 -3.193 -0.468 1.00 0.00 O ATOM 1599 NE2 GLN A 102 -13.500 -5.411 -0.592 1.00 0.00 N ATOM 0 H GLN A 102 -8.538 -5.453 -0.690 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.192 -2.691 -1.368 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -10.167 -4.482 0.890 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -10.863 -2.947 0.411 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -11.047 -4.212 -1.957 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -11.052 -5.622 -0.916 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -13.092 -6.333 -0.747 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -14.497 -5.321 -0.395 1.00 0.00 H new ATOM 1608 N ALA A 103 -7.700 -3.547 1.462 1.00 0.00 N ATOM 1609 CA ALA A 103 -6.858 -3.039 2.539 1.00 0.00 C ATOM 1610 C ALA A 103 -5.677 -2.249 1.986 1.00 0.00 C ATOM 1611 O ALA A 103 -5.431 -1.115 2.395 1.00 0.00 O ATOM 1612 CB ALA A 103 -6.368 -4.186 3.410 1.00 0.00 C ATOM 0 H ALA A 103 -7.911 -4.543 1.525 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.458 -2.364 3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.741 -3.793 4.210 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.223 -4.706 3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.789 -4.882 2.803 1.00 0.00 H new ATOM 1618 N MET A 104 -4.947 -2.857 1.056 1.00 0.00 N ATOM 1619 CA MET A 104 -3.791 -2.209 0.448 1.00 0.00 C ATOM 1620 C MET A 104 -4.224 -1.251 -0.658 1.00 0.00 C ATOM 1621 O MET A 104 -3.655 -0.172 -0.816 1.00 0.00 O ATOM 1622 CB MET A 104 -2.831 -3.257 -0.117 1.00 0.00 C ATOM 1623 CG MET A 104 -3.382 -3.999 -1.323 1.00 0.00 C ATOM 1624 SD MET A 104 -2.750 -5.683 -1.451 1.00 0.00 S ATOM 1625 CE MET A 104 -0.984 -5.381 -1.471 1.00 0.00 C ATOM 0 H MET A 104 -5.136 -3.797 0.707 1.00 0.00 H new ATOM 0 HA MET A 104 -3.279 -1.636 1.221 1.00 0.00 H new ATOM 0 HB2 MET A 104 -1.897 -2.769 -0.397 1.00 0.00 H new ATOM 0 HB3 MET A 104 -2.592 -3.978 0.665 1.00 0.00 H new ATOM 0 HG2 MET A 104 -4.470 -4.027 -1.261 1.00 0.00 H new ATOM 0 HG3 MET A 104 -3.128 -3.450 -2.230 1.00 0.00 H new ATOM 0 HE1 MET A 104 -0.516 -6.011 -2.227 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.797 -4.333 -1.706 1.00 0.00 H new ATOM 0 HE3 MET A 104 -0.564 -5.614 -0.493 1.00 0.00 H new ATOM 1635 N GLY A 105 -5.236 -1.653 -1.421 1.00 0.00 N ATOM 1636 CA GLY A 105 -5.727 -0.819 -2.502 1.00 0.00 C ATOM 1637 C GLY A 105 -6.115 0.569 -2.033 1.00 0.00 C ATOM 1638 O GLY A 105 -5.720 1.567 -2.635 1.00 0.00 O ATOM 0 H GLY A 105 -5.724 -2.541 -1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.959 -0.738 -3.272 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.591 -1.298 -2.963 1.00 0.00 H new ATOM 1642 N GLU A 106 -6.892 0.633 -0.956 1.00 0.00 N ATOM 1643 CA GLU A 106 -7.335 1.910 -0.409 1.00 0.00 C ATOM 1644 C GLU A 106 -6.148 2.833 -0.152 1.00 0.00 C ATOM 1645 O GLU A 106 -6.199 4.025 -0.450 1.00 0.00 O ATOM 1646 CB GLU A 106 -8.116 1.690 0.889 1.00 0.00 C ATOM 1647 CG GLU A 106 -7.233 1.611 2.123 1.00 0.00 C ATOM 1648 CD GLU A 106 -8.033 1.470 3.404 1.00 0.00 C ATOM 1649 OE1 GLU A 106 -8.838 0.520 3.501 1.00 0.00 O ATOM 1650 OE2 GLU A 106 -7.854 2.312 4.310 1.00 0.00 O ATOM 0 H GLU A 106 -7.227 -0.184 -0.446 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.988 2.384 -1.142 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -8.831 2.503 1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.692 0.769 0.805 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.555 0.763 2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.615 2.507 2.181 1.00 0.00 H new ATOM 1657 N ALA A 107 -5.079 2.271 0.405 1.00 0.00 N ATOM 1658 CA ALA A 107 -3.879 3.043 0.702 1.00 0.00 C ATOM 1659 C ALA A 107 -3.327 3.705 -0.556 1.00 0.00 C ATOM 1660 O ALA A 107 -2.678 4.748 -0.486 1.00 0.00 O ATOM 1661 CB ALA A 107 -2.823 2.151 1.338 1.00 0.00 C ATOM 0 H ALA A 107 -5.020 1.285 0.659 1.00 0.00 H new ATOM 0 HA ALA A 107 -4.147 3.830 1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.932 2.740 1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -3.213 1.729 2.264 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.567 1.344 0.651 1.00 0.00 H new ATOM 1667 N ALA A 108 -3.588 3.091 -1.706 1.00 0.00 N ATOM 1668 CA ALA A 108 -3.119 3.622 -2.979 1.00 0.00 C ATOM 1669 C ALA A 108 -4.099 4.646 -3.542 1.00 0.00 C ATOM 1670 O ALA A 108 -3.698 5.611 -4.193 1.00 0.00 O ATOM 1671 CB ALA A 108 -2.903 2.492 -3.975 1.00 0.00 C ATOM 0 H ALA A 108 -4.122 2.225 -1.781 1.00 0.00 H new ATOM 0 HA ALA A 108 -2.168 4.126 -2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.553 2.903 -4.922 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.159 1.799 -3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.843 1.963 -4.135 1.00 0.00 H new ATOM 1677 N ARG A 109 -5.385 4.429 -3.288 1.00 0.00 N ATOM 1678 CA ARG A 109 -6.422 5.332 -3.771 1.00 0.00 C ATOM 1679 C ARG A 109 -6.624 6.495 -2.804 1.00 0.00 C ATOM 1680 O ARG A 109 -6.339 6.382 -1.612 1.00 0.00 O ATOM 1681 CB ARG A 109 -7.739 4.577 -3.959 1.00 0.00 C ATOM 1682 CG ARG A 109 -8.620 4.570 -2.720 1.00 0.00 C ATOM 1683 CD ARG A 109 -9.816 3.647 -2.892 1.00 0.00 C ATOM 1684 NE ARG A 109 -10.959 4.337 -3.484 1.00 0.00 N ATOM 1685 CZ ARG A 109 -11.705 5.220 -2.830 1.00 0.00 C ATOM 1686 NH1 ARG A 109 -11.429 5.520 -1.568 1.00 0.00 N ATOM 1687 NH2 ARG A 109 -12.728 5.807 -3.437 1.00 0.00 N ATOM 0 H ARG A 109 -5.734 3.635 -2.750 1.00 0.00 H new ATOM 0 HA ARG A 109 -6.100 5.733 -4.732 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -8.291 5.027 -4.784 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -7.520 3.548 -4.245 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -8.034 4.252 -1.858 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -8.967 5.582 -2.513 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.535 2.804 -3.523 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -10.101 3.239 -1.922 1.00 0.00 H new ATOM 0 HE ARG A 109 -11.198 4.129 -4.454 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -10.642 5.072 -1.098 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -12.003 6.198 -1.068 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -12.943 5.581 -4.408 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -13.300 6.485 -2.933 1.00 0.00 H new