USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=19 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= 0.00276 USER MOD Set 1.2: A 90 SER OG : rot 82:sc= 0.00197 USER MOD Set 2.1: A 59 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 81 HIS : no HD1:sc= -2.54 K(o=-2.5,f=-0.81) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0522) USER MOD Single : A 19 LYS NZ :NH3+ 165:sc= 0.0527 (180deg=0.00431) USER MOD Single : A 20 GLN : amide:sc= -0.0737 K(o=-0.074,f=-0.63) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -156:sc= 0.264 (180deg=0.0863) USER MOD Single : A 39 CYS SG : rot 39:sc= 0.492 USER MOD Single : A 42 TYR OH : rot 165:sc= -0.739 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+ -166:sc= -0.0019 (180deg=-0.0997) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 123:sc= -0.0445 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.006) USER MOD Single : A 75 HIS : no HD1:sc= -2.72! C(o=-2.7!,f=-2.5!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 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= -2.43! C(o=-2.4!,f=-5!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 MET CE :methyl 179:sc= -2.21 (180deg=-2.25) USER MOD ----------------------------------------------------------------- ATOM 104 N VAL A 11 -0.518 -0.627 12.766 1.00 0.00 N ATOM 105 CA VAL A 11 -0.502 -1.561 11.646 1.00 0.00 C ATOM 106 C VAL A 11 -1.882 -1.679 11.010 1.00 0.00 C ATOM 107 O VAL A 11 -2.895 -1.759 11.705 1.00 0.00 O ATOM 108 CB VAL A 11 -0.031 -2.959 12.088 1.00 0.00 C ATOM 109 CG1 VAL A 11 -0.120 -3.943 10.932 1.00 0.00 C ATOM 110 CG2 VAL A 11 1.387 -2.894 12.636 1.00 0.00 C ATOM 0 HA VAL A 11 0.200 -1.164 10.913 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.688 -3.310 12.884 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.217 -4.925 11.263 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.153 -4.010 10.590 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.512 -3.600 10.113 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.704 -3.890 12.944 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.059 -2.522 11.863 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.415 -2.223 13.495 1.00 0.00 H new ATOM 120 N THR A 12 -1.916 -1.690 9.681 1.00 0.00 N ATOM 121 CA THR A 12 -3.171 -1.798 8.949 1.00 0.00 C ATOM 122 C THR A 12 -3.559 -3.257 8.735 1.00 0.00 C ATOM 123 O THR A 12 -4.652 -3.681 9.113 1.00 0.00 O ATOM 124 CB THR A 12 -3.086 -1.096 7.580 1.00 0.00 C ATOM 125 OG1 THR A 12 -2.459 0.184 7.724 1.00 0.00 O ATOM 126 CG2 THR A 12 -4.470 -0.922 6.974 1.00 0.00 C ATOM 0 H THR A 12 -1.087 -1.625 9.090 1.00 0.00 H new ATOM 0 HA THR A 12 -3.933 -1.307 9.554 1.00 0.00 H new ATOM 0 HB THR A 12 -2.490 -1.720 6.913 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.407 0.623 6.849 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.384 -0.424 6.008 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.933 -1.899 6.839 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.086 -0.318 7.640 1.00 0.00 H new ATOM 134 N LYS A 13 -2.658 -4.021 8.128 1.00 0.00 N ATOM 135 CA LYS A 13 -2.905 -5.434 7.866 1.00 0.00 C ATOM 136 C LYS A 13 -1.597 -6.217 7.826 1.00 0.00 C ATOM 137 O LYS A 13 -0.551 -5.678 7.464 1.00 0.00 O ATOM 138 CB LYS A 13 -3.654 -5.605 6.542 1.00 0.00 C ATOM 139 CG LYS A 13 -4.057 -7.040 6.252 1.00 0.00 C ATOM 140 CD LYS A 13 -5.069 -7.118 5.121 1.00 0.00 C ATOM 141 CE LYS A 13 -5.397 -8.560 4.765 1.00 0.00 C ATOM 142 NZ LYS A 13 -6.101 -9.259 5.876 1.00 0.00 N ATOM 0 H LYS A 13 -1.749 -3.685 7.808 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.518 -5.826 8.677 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.548 -4.981 6.557 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.025 -5.242 5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.173 -7.621 5.991 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.480 -7.489 7.151 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.981 -6.597 5.411 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.675 -6.606 4.243 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.020 -8.581 3.871 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.477 -9.093 4.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.412 -10.198 5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.454 -9.367 6.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.929 -8.701 6.168 1.00 0.00 H new ATOM 156 N ALA A 14 -1.662 -7.490 8.201 1.00 0.00 N ATOM 157 CA ALA A 14 -0.484 -8.347 8.205 1.00 0.00 C ATOM 158 C ALA A 14 -0.867 -9.809 8.004 1.00 0.00 C ATOM 159 O ALA A 14 -1.771 -10.321 8.664 1.00 0.00 O ATOM 160 CB ALA A 14 0.289 -8.176 9.505 1.00 0.00 C ATOM 0 H ALA A 14 -2.519 -7.951 8.506 1.00 0.00 H new ATOM 0 HA ALA A 14 0.154 -8.048 7.373 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.167 -8.822 9.494 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.604 -7.138 9.607 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.350 -8.445 10.346 1.00 0.00 H new ATOM 166 N GLY A 15 -0.174 -10.478 7.087 1.00 0.00 N ATOM 167 CA GLY A 15 -0.458 -11.875 6.815 1.00 0.00 C ATOM 168 C GLY A 15 0.550 -12.498 5.870 1.00 0.00 C ATOM 169 O GLY A 15 1.310 -11.790 5.208 1.00 0.00 O ATOM 0 H GLY A 15 0.579 -10.077 6.528 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.464 -12.431 7.753 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.456 -11.963 6.386 1.00 0.00 H new ATOM 173 N TRP A 16 0.559 -13.824 5.808 1.00 0.00 N ATOM 174 CA TRP A 16 1.483 -14.542 4.938 1.00 0.00 C ATOM 175 C TRP A 16 1.071 -14.407 3.476 1.00 0.00 C ATOM 176 O TRP A 16 0.028 -14.917 3.065 1.00 0.00 O ATOM 177 CB TRP A 16 1.541 -16.020 5.329 1.00 0.00 C ATOM 178 CG TRP A 16 2.313 -16.270 6.590 1.00 0.00 C ATOM 179 CD1 TRP A 16 1.798 -16.488 7.836 1.00 0.00 C ATOM 180 CD2 TRP A 16 3.737 -16.326 6.726 1.00 0.00 C ATOM 181 NE1 TRP A 16 2.817 -16.676 8.739 1.00 0.00 N ATOM 182 CE2 TRP A 16 4.016 -16.583 8.083 1.00 0.00 C ATOM 183 CE3 TRP A 16 4.803 -16.187 5.834 1.00 0.00 C ATOM 184 CZ2 TRP A 16 5.316 -16.701 8.566 1.00 0.00 C ATOM 185 CZ3 TRP A 16 6.094 -16.304 6.315 1.00 0.00 C ATOM 186 CH2 TRP A 16 6.341 -16.560 7.671 1.00 0.00 C ATOM 0 H TRP A 16 -0.063 -14.424 6.350 1.00 0.00 H new ATOM 0 HA TRP A 16 2.473 -14.102 5.060 1.00 0.00 H new ATOM 0 HB2 TRP A 16 0.525 -16.396 5.452 1.00 0.00 H new ATOM 0 HB3 TRP A 16 1.994 -16.586 4.515 1.00 0.00 H new ATOM 0 HD1 TRP A 16 0.745 -16.509 8.076 1.00 0.00 H new ATOM 0 HE1 TRP A 16 2.699 -16.856 9.736 1.00 0.00 H new ATOM 0 HE3 TRP A 16 4.622 -15.992 4.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.509 -16.897 9.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 6.926 -16.196 5.635 1.00 0.00 H new ATOM 0 HH2 TRP A 16 7.361 -16.648 8.016 1.00 0.00 H new ATOM 197 N LEU A 17 1.895 -13.718 2.695 1.00 0.00 N ATOM 198 CA LEU A 17 1.616 -13.516 1.277 1.00 0.00 C ATOM 199 C LEU A 17 2.800 -13.956 0.421 1.00 0.00 C ATOM 200 O LEU A 17 3.953 -13.677 0.748 1.00 0.00 O ATOM 201 CB LEU A 17 1.293 -12.046 1.005 1.00 0.00 C ATOM 202 CG LEU A 17 -0.133 -11.601 1.330 1.00 0.00 C ATOM 203 CD1 LEU A 17 -0.276 -10.097 1.156 1.00 0.00 C ATOM 204 CD2 LEU A 17 -1.135 -12.338 0.453 1.00 0.00 C ATOM 0 H LEU A 17 2.762 -13.290 3.019 1.00 0.00 H new ATOM 0 HA LEU A 17 0.753 -14.126 1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.984 -11.430 1.580 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.485 -11.841 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.341 -11.847 2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.298 -9.799 1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.415 -9.586 1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.048 -9.827 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.145 -12.009 0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.928 -12.123 -0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.051 -13.411 0.627 1.00 0.00 H new ATOM 216 N PHE A 18 2.506 -14.642 -0.678 1.00 0.00 N ATOM 217 CA PHE A 18 3.545 -15.119 -1.582 1.00 0.00 C ATOM 218 C PHE A 18 3.918 -14.043 -2.598 1.00 0.00 C ATOM 219 O PHE A 18 3.068 -13.556 -3.344 1.00 0.00 O ATOM 220 CB PHE A 18 3.079 -16.383 -2.309 1.00 0.00 C ATOM 221 CG PHE A 18 2.971 -17.584 -1.413 1.00 0.00 C ATOM 222 CD1 PHE A 18 2.120 -17.574 -0.319 1.00 0.00 C ATOM 223 CD2 PHE A 18 3.719 -18.722 -1.665 1.00 0.00 C ATOM 224 CE1 PHE A 18 2.020 -18.678 0.507 1.00 0.00 C ATOM 225 CE2 PHE A 18 3.622 -19.829 -0.843 1.00 0.00 C ATOM 226 CZ PHE A 18 2.771 -19.807 0.244 1.00 0.00 C ATOM 0 H PHE A 18 1.556 -14.880 -0.964 1.00 0.00 H new ATOM 0 HA PHE A 18 4.428 -15.355 -0.988 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.108 -16.192 -2.767 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.775 -16.605 -3.118 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.529 -16.695 -0.110 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.386 -18.745 -2.514 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.355 -18.658 1.358 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.211 -20.710 -1.051 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.693 -20.671 0.887 1.00 0.00 H new ATOM 236 N LYS A 19 5.195 -13.677 -2.621 1.00 0.00 N ATOM 237 CA LYS A 19 5.683 -12.660 -3.545 1.00 0.00 C ATOM 238 C LYS A 19 6.249 -13.299 -4.809 1.00 0.00 C ATOM 239 O LYS A 19 7.219 -14.054 -4.752 1.00 0.00 O ATOM 240 CB LYS A 19 6.756 -11.802 -2.870 1.00 0.00 C ATOM 241 CG LYS A 19 6.880 -10.408 -3.460 1.00 0.00 C ATOM 242 CD LYS A 19 8.137 -9.707 -2.975 1.00 0.00 C ATOM 243 CE LYS A 19 8.200 -8.269 -3.469 1.00 0.00 C ATOM 244 NZ LYS A 19 8.742 -8.181 -4.853 1.00 0.00 N ATOM 0 H LYS A 19 5.911 -14.070 -2.010 1.00 0.00 H new ATOM 0 HA LYS A 19 4.842 -12.026 -3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.527 -11.719 -1.807 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.718 -12.308 -2.950 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.895 -10.473 -4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.005 -9.818 -3.188 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.165 -9.720 -1.885 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.015 -10.251 -3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.202 -7.832 -3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.824 -7.681 -2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.537 -7.240 -5.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.771 -8.332 -4.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.297 -8.909 -5.447 1.00 0.00 H new ATOM 258 N GLN A 20 5.637 -12.990 -5.948 1.00 0.00 N ATOM 259 CA GLN A 20 6.081 -13.534 -7.225 1.00 0.00 C ATOM 260 C GLN A 20 7.604 -13.604 -7.287 1.00 0.00 C ATOM 261 O GLN A 20 8.298 -12.829 -6.630 1.00 0.00 O ATOM 262 CB GLN A 20 5.551 -12.681 -8.379 1.00 0.00 C ATOM 263 CG GLN A 20 5.825 -13.276 -9.751 1.00 0.00 C ATOM 264 CD GLN A 20 5.116 -12.528 -10.863 1.00 0.00 C ATOM 265 OE1 GLN A 20 5.282 -11.318 -11.017 1.00 0.00 O ATOM 266 NE2 GLN A 20 4.321 -13.246 -11.647 1.00 0.00 N ATOM 0 H GLN A 20 4.833 -12.366 -6.012 1.00 0.00 H new ATOM 0 HA GLN A 20 5.685 -14.545 -7.318 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.476 -12.548 -8.258 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.003 -11.690 -8.325 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.899 -13.267 -9.939 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.509 -14.319 -9.760 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.212 -14.247 -11.484 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.819 -12.797 -12.413 1.00 0.00 H new ATOM 275 N ALA A 21 8.116 -14.539 -8.081 1.00 0.00 N ATOM 276 CA ALA A 21 9.556 -14.709 -8.230 1.00 0.00 C ATOM 277 C ALA A 21 10.115 -13.762 -9.286 1.00 0.00 C ATOM 278 O ALA A 21 9.484 -13.524 -10.316 1.00 0.00 O ATOM 279 CB ALA A 21 9.883 -16.152 -8.586 1.00 0.00 C ATOM 0 H ALA A 21 7.555 -15.190 -8.631 1.00 0.00 H new ATOM 0 HA ALA A 21 10.026 -14.466 -7.277 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.962 -16.265 -8.694 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.527 -16.812 -7.795 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.395 -16.415 -9.524 1.00 0.00 H new ATOM 352 N GLN A 27 7.918 -19.395 -10.192 1.00 0.00 N ATOM 353 CA GLN A 27 7.616 -19.911 -8.863 1.00 0.00 C ATOM 354 C GLN A 27 7.302 -18.773 -7.896 1.00 0.00 C ATOM 355 O GLN A 27 7.707 -17.631 -8.114 1.00 0.00 O ATOM 356 CB GLN A 27 8.789 -20.737 -8.333 1.00 0.00 C ATOM 357 CG GLN A 27 9.967 -19.894 -7.870 1.00 0.00 C ATOM 358 CD GLN A 27 10.990 -20.698 -7.093 1.00 0.00 C ATOM 359 OE1 GLN A 27 12.091 -20.959 -7.580 1.00 0.00 O ATOM 360 NE2 GLN A 27 10.633 -21.094 -5.877 1.00 0.00 N ATOM 0 HA GLN A 27 6.737 -20.551 -8.941 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.444 -21.351 -7.502 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.125 -21.418 -9.115 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.448 -19.442 -8.737 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.602 -19.078 -7.246 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.710 -20.855 -5.513 1.00 0.00 H new ATOM 0 HE22 GLN A 27 11.281 -21.637 -5.307 1.00 0.00 H new ATOM 369 N TRP A 28 6.579 -19.093 -6.829 1.00 0.00 N ATOM 370 CA TRP A 28 6.211 -18.097 -5.829 1.00 0.00 C ATOM 371 C TRP A 28 6.833 -18.428 -4.477 1.00 0.00 C ATOM 372 O TRP A 28 6.793 -19.572 -4.028 1.00 0.00 O ATOM 373 CB TRP A 28 4.689 -18.015 -5.697 1.00 0.00 C ATOM 374 CG TRP A 28 4.027 -17.355 -6.869 1.00 0.00 C ATOM 375 CD1 TRP A 28 3.991 -17.812 -8.155 1.00 0.00 C ATOM 376 CD2 TRP A 28 3.308 -16.117 -6.861 1.00 0.00 C ATOM 377 NE1 TRP A 28 3.292 -16.933 -8.947 1.00 0.00 N ATOM 378 CE2 TRP A 28 2.862 -15.885 -8.177 1.00 0.00 C ATOM 379 CE3 TRP A 28 2.995 -15.183 -5.870 1.00 0.00 C ATOM 380 CZ2 TRP A 28 2.122 -14.758 -8.524 1.00 0.00 C ATOM 381 CZ3 TRP A 28 2.260 -14.064 -6.216 1.00 0.00 C ATOM 382 CH2 TRP A 28 1.830 -13.860 -7.534 1.00 0.00 C ATOM 0 H TRP A 28 6.236 -20.034 -6.634 1.00 0.00 H new ATOM 0 HA TRP A 28 6.593 -17.130 -6.157 1.00 0.00 H new ATOM 0 HB2 TRP A 28 4.287 -19.021 -5.580 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.439 -17.465 -4.790 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.445 -18.729 -8.499 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.121 -17.043 -9.947 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.321 -15.332 -4.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.790 -14.598 -9.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.013 -13.335 -5.458 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.257 -12.976 -7.773 1.00 0.00 H new ATOM 393 N ASN A 29 7.408 -17.418 -3.832 1.00 0.00 N ATOM 394 CA ASN A 29 8.040 -17.602 -2.530 1.00 0.00 C ATOM 395 C ASN A 29 7.183 -17.002 -1.420 1.00 0.00 C ATOM 396 O ASN A 29 6.601 -15.929 -1.581 1.00 0.00 O ATOM 397 CB ASN A 29 9.430 -16.964 -2.519 1.00 0.00 C ATOM 398 CG ASN A 29 10.393 -17.658 -3.463 1.00 0.00 C ATOM 399 OD1 ASN A 29 10.731 -18.826 -3.273 1.00 0.00 O ATOM 400 ND2 ASN A 29 10.839 -16.939 -4.487 1.00 0.00 N ATOM 0 H ASN A 29 7.449 -16.464 -4.190 1.00 0.00 H new ATOM 0 HA ASN A 29 8.139 -18.673 -2.350 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.347 -15.913 -2.797 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.833 -16.995 -1.507 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.489 -17.352 -5.156 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.531 -15.974 -4.605 1.00 0.00 H new ATOM 407 N LYS A 30 7.110 -17.701 -0.292 1.00 0.00 N ATOM 408 CA LYS A 30 6.327 -17.237 0.846 1.00 0.00 C ATOM 409 C LYS A 30 7.124 -16.247 1.689 1.00 0.00 C ATOM 410 O LYS A 30 8.282 -16.496 2.026 1.00 0.00 O ATOM 411 CB LYS A 30 5.893 -18.424 1.710 1.00 0.00 C ATOM 412 CG LYS A 30 4.958 -18.041 2.845 1.00 0.00 C ATOM 413 CD LYS A 30 4.780 -19.183 3.830 1.00 0.00 C ATOM 414 CE LYS A 30 3.515 -19.014 4.658 1.00 0.00 C ATOM 415 NZ LYS A 30 2.301 -19.441 3.909 1.00 0.00 N ATOM 0 H LYS A 30 7.584 -18.592 -0.142 1.00 0.00 H new ATOM 0 HA LYS A 30 5.442 -16.730 0.463 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.400 -19.162 1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.779 -18.903 2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.354 -17.169 3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.988 -17.756 2.438 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.738 -20.128 3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.645 -19.232 4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.600 -19.598 5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.411 -17.970 4.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.465 -18.960 4.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.407 -19.192 2.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.181 -20.470 3.999 1.00 0.00 H new ATOM 429 N ARG A 31 6.498 -15.124 2.026 1.00 0.00 N ATOM 430 CA ARG A 31 7.150 -14.097 2.829 1.00 0.00 C ATOM 431 C ARG A 31 6.128 -13.326 3.659 1.00 0.00 C ATOM 432 O ARG A 31 5.012 -13.070 3.207 1.00 0.00 O ATOM 433 CB ARG A 31 7.924 -13.131 1.930 1.00 0.00 C ATOM 434 CG ARG A 31 9.158 -12.540 2.592 1.00 0.00 C ATOM 435 CD ARG A 31 10.367 -13.447 2.428 1.00 0.00 C ATOM 436 NE ARG A 31 11.113 -13.151 1.208 1.00 0.00 N ATOM 437 CZ ARG A 31 12.045 -12.208 1.126 1.00 0.00 C ATOM 438 NH1 ARG A 31 12.345 -11.475 2.189 1.00 0.00 N ATOM 439 NH2 ARG A 31 12.680 -11.999 -0.020 1.00 0.00 N ATOM 0 H ARG A 31 5.540 -14.902 1.755 1.00 0.00 H new ATOM 0 HA ARG A 31 7.847 -14.590 3.507 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.224 -13.654 1.022 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.261 -12.321 1.626 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.373 -11.564 2.158 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.962 -12.381 3.652 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.024 -13.335 3.291 1.00 0.00 H new ATOM 0 HD3 ARG A 31 10.040 -14.487 2.410 1.00 0.00 H new ATOM 0 HE ARG A 31 10.907 -13.699 0.373 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.860 -11.635 3.072 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.061 -10.751 2.124 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.453 -12.563 -0.839 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.395 -11.275 -0.082 1.00 0.00 H new ATOM 453 N TRP A 32 6.516 -12.960 4.875 1.00 0.00 N ATOM 454 CA TRP A 32 5.634 -12.219 5.769 1.00 0.00 C ATOM 455 C TRP A 32 5.407 -10.801 5.258 1.00 0.00 C ATOM 456 O TRP A 32 6.356 -10.042 5.060 1.00 0.00 O ATOM 457 CB TRP A 32 6.222 -12.177 7.181 1.00 0.00 C ATOM 458 CG TRP A 32 5.288 -11.591 8.196 1.00 0.00 C ATOM 459 CD1 TRP A 32 5.521 -10.509 8.996 1.00 0.00 C ATOM 460 CD2 TRP A 32 3.974 -12.057 8.521 1.00 0.00 C ATOM 461 NE1 TRP A 32 4.431 -10.274 9.799 1.00 0.00 N ATOM 462 CE2 TRP A 32 3.468 -11.209 9.526 1.00 0.00 C ATOM 463 CE3 TRP A 32 3.174 -13.106 8.060 1.00 0.00 C ATOM 464 CZ2 TRP A 32 2.201 -11.380 10.076 1.00 0.00 C ATOM 465 CZ3 TRP A 32 1.916 -13.275 8.607 1.00 0.00 C ATOM 466 CH2 TRP A 32 1.439 -12.416 9.606 1.00 0.00 C ATOM 0 H TRP A 32 7.436 -13.164 5.265 1.00 0.00 H new ATOM 0 HA TRP A 32 4.673 -12.733 5.798 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.490 -13.189 7.486 1.00 0.00 H new ATOM 0 HB3 TRP A 32 7.143 -11.594 7.166 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.429 -9.924 8.997 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.352 -9.525 10.487 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.532 -13.773 7.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 1.832 -10.719 10.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.290 -14.083 8.258 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.451 -12.574 10.013 1.00 0.00 H new ATOM 477 N PHE A 33 4.143 -10.448 5.044 1.00 0.00 N ATOM 478 CA PHE A 33 3.792 -9.120 4.555 1.00 0.00 C ATOM 479 C PHE A 33 2.972 -8.358 5.591 1.00 0.00 C ATOM 480 O PHE A 33 2.120 -8.931 6.270 1.00 0.00 O ATOM 481 CB PHE A 33 3.007 -9.228 3.245 1.00 0.00 C ATOM 482 CG PHE A 33 3.882 -9.351 2.031 1.00 0.00 C ATOM 483 CD1 PHE A 33 4.323 -8.221 1.361 1.00 0.00 C ATOM 484 CD2 PHE A 33 4.264 -10.596 1.559 1.00 0.00 C ATOM 485 CE1 PHE A 33 5.127 -8.331 0.242 1.00 0.00 C ATOM 486 CE2 PHE A 33 5.068 -10.713 0.441 1.00 0.00 C ATOM 487 CZ PHE A 33 5.501 -9.579 -0.218 1.00 0.00 C ATOM 0 H PHE A 33 3.345 -11.064 5.202 1.00 0.00 H new ATOM 0 HA PHE A 33 4.716 -8.570 4.374 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.347 -10.094 3.297 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.372 -8.349 3.138 1.00 0.00 H new ATOM 0 HD1 PHE A 33 4.035 -7.243 1.717 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.929 -11.486 2.071 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.462 -7.442 -0.272 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.357 -11.690 0.083 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.131 -9.668 -1.091 1.00 0.00 H new ATOM 497 N VAL A 34 3.237 -7.060 5.708 1.00 0.00 N ATOM 498 CA VAL A 34 2.525 -6.217 6.661 1.00 0.00 C ATOM 499 C VAL A 34 2.219 -4.849 6.063 1.00 0.00 C ATOM 500 O VAL A 34 3.107 -4.008 5.921 1.00 0.00 O ATOM 501 CB VAL A 34 3.334 -6.029 7.958 1.00 0.00 C ATOM 502 CG1 VAL A 34 2.592 -5.116 8.922 1.00 0.00 C ATOM 503 CG2 VAL A 34 3.625 -7.375 8.604 1.00 0.00 C ATOM 0 H VAL A 34 3.940 -6.570 5.154 1.00 0.00 H new ATOM 0 HA VAL A 34 1.590 -6.725 6.896 1.00 0.00 H new ATOM 0 HB VAL A 34 4.285 -5.558 7.708 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.179 -4.995 9.833 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.439 -4.142 8.456 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.626 -5.556 9.169 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.197 -7.223 9.519 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.686 -7.875 8.842 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.200 -7.993 7.914 1.00 0.00 H new ATOM 513 N LEU A 35 0.956 -4.631 5.713 1.00 0.00 N ATOM 514 CA LEU A 35 0.531 -3.364 5.130 1.00 0.00 C ATOM 515 C LEU A 35 0.612 -2.238 6.156 1.00 0.00 C ATOM 516 O LEU A 35 0.047 -2.335 7.245 1.00 0.00 O ATOM 517 CB LEU A 35 -0.898 -3.479 4.595 1.00 0.00 C ATOM 518 CG LEU A 35 -1.589 -2.163 4.236 1.00 0.00 C ATOM 519 CD1 LEU A 35 -0.852 -1.466 3.102 1.00 0.00 C ATOM 520 CD2 LEU A 35 -3.042 -2.409 3.858 1.00 0.00 C ATOM 0 H LEU A 35 0.208 -5.316 5.823 1.00 0.00 H new ATOM 0 HA LEU A 35 1.204 -3.129 4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.882 -4.112 3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.504 -3.992 5.342 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.567 -1.513 5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.358 -0.531 2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.172 -1.255 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.842 -2.111 2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.518 -1.461 3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.086 -3.077 2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.565 -2.865 4.699 1.00 0.00 H new ATOM 532 N VAL A 36 1.317 -1.169 5.799 1.00 0.00 N ATOM 533 CA VAL A 36 1.469 -0.022 6.687 1.00 0.00 C ATOM 534 C VAL A 36 0.944 1.251 6.035 1.00 0.00 C ATOM 535 O VAL A 36 0.443 1.225 4.910 1.00 0.00 O ATOM 536 CB VAL A 36 2.943 0.188 7.084 1.00 0.00 C ATOM 537 CG1 VAL A 36 3.668 1.009 6.029 1.00 0.00 C ATOM 538 CG2 VAL A 36 3.036 0.854 8.448 1.00 0.00 C ATOM 0 H VAL A 36 1.792 -1.073 4.901 1.00 0.00 H new ATOM 0 HA VAL A 36 0.885 -0.235 7.583 1.00 0.00 H new ATOM 0 HB VAL A 36 3.428 -0.786 7.147 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.708 1.147 6.326 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.630 0.487 5.073 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.186 1.982 5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.084 0.995 8.713 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.537 1.822 8.415 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.554 0.223 9.195 1.00 0.00 H new ATOM 548 N ASP A 37 1.060 2.366 6.748 1.00 0.00 N ATOM 549 CA ASP A 37 0.598 3.652 6.239 1.00 0.00 C ATOM 550 C ASP A 37 1.185 3.932 4.859 1.00 0.00 C ATOM 551 O ASP A 37 2.398 4.085 4.709 1.00 0.00 O ATOM 552 CB ASP A 37 0.978 4.774 7.206 1.00 0.00 C ATOM 553 CG ASP A 37 -0.081 5.009 8.265 1.00 0.00 C ATOM 554 OD1 ASP A 37 -1.247 5.258 7.893 1.00 0.00 O ATOM 555 OD2 ASP A 37 0.256 4.944 9.466 1.00 0.00 O ATOM 0 H ASP A 37 1.470 2.405 7.681 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.488 3.612 6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.923 4.528 7.690 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.137 5.695 6.645 1.00 0.00 H new ATOM 560 N ARG A 38 0.318 3.998 3.855 1.00 0.00 N ATOM 561 CA ARG A 38 0.750 4.258 2.487 1.00 0.00 C ATOM 562 C ARG A 38 2.046 3.514 2.176 1.00 0.00 C ATOM 563 O ARG A 38 2.925 4.038 1.491 1.00 0.00 O ATOM 564 CB ARG A 38 0.947 5.759 2.268 1.00 0.00 C ATOM 565 CG ARG A 38 -0.330 6.492 1.891 1.00 0.00 C ATOM 566 CD ARG A 38 -0.034 7.756 1.099 1.00 0.00 C ATOM 567 NE ARG A 38 0.659 8.757 1.906 1.00 0.00 N ATOM 568 CZ ARG A 38 0.759 10.036 1.563 1.00 0.00 C ATOM 569 NH1 ARG A 38 0.213 10.468 0.435 1.00 0.00 N ATOM 570 NH2 ARG A 38 1.407 10.887 2.349 1.00 0.00 N ATOM 0 H ARG A 38 -0.689 3.875 3.963 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.027 3.898 1.813 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.354 6.200 3.178 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.687 5.909 1.482 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -0.968 5.833 1.302 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.884 6.749 2.794 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.575 7.505 0.230 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.967 8.176 0.724 1.00 0.00 H new ATOM 0 HE ARG A 38 1.090 8.457 2.781 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.286 9.817 -0.172 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.291 11.451 0.174 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.829 10.559 3.218 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.483 11.869 2.084 1.00 0.00 H new ATOM 584 N CYS A 39 2.156 2.291 2.684 1.00 0.00 N ATOM 585 CA CYS A 39 3.345 1.476 2.462 1.00 0.00 C ATOM 586 C CYS A 39 3.080 0.018 2.825 1.00 0.00 C ATOM 587 O CYS A 39 2.017 -0.319 3.348 1.00 0.00 O ATOM 588 CB CYS A 39 4.518 2.013 3.282 1.00 0.00 C ATOM 589 SG CYS A 39 5.519 3.247 2.418 1.00 0.00 S ATOM 0 H CYS A 39 1.437 1.843 3.252 1.00 0.00 H new ATOM 0 HA CYS A 39 3.598 1.528 1.403 1.00 0.00 H new ATOM 0 HB2 CYS A 39 4.133 2.453 4.202 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.158 1.179 3.570 1.00 0.00 H new ATOM 0 HG CYS A 39 4.743 4.031 1.731 1.00 0.00 H new ATOM 595 N LEU A 40 4.052 -0.842 2.544 1.00 0.00 N ATOM 596 CA LEU A 40 3.923 -2.265 2.840 1.00 0.00 C ATOM 597 C LEU A 40 5.290 -2.894 3.093 1.00 0.00 C ATOM 598 O LEU A 40 6.108 -3.014 2.182 1.00 0.00 O ATOM 599 CB LEU A 40 3.224 -2.985 1.686 1.00 0.00 C ATOM 600 CG LEU A 40 3.283 -4.513 1.713 1.00 0.00 C ATOM 601 CD1 LEU A 40 2.567 -5.053 2.941 1.00 0.00 C ATOM 602 CD2 LEU A 40 2.679 -5.093 0.443 1.00 0.00 C ATOM 0 H LEU A 40 4.938 -0.580 2.112 1.00 0.00 H new ATOM 0 HA LEU A 40 3.322 -2.370 3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.177 -2.682 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.664 -2.641 0.750 1.00 0.00 H new ATOM 0 HG LEU A 40 4.329 -4.816 1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.619 -6.142 2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.045 -4.665 3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.523 -4.740 2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.730 -6.181 0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.638 -4.781 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.236 -4.733 -0.422 1.00 0.00 H new ATOM 614 N PHE A 41 5.529 -3.296 4.337 1.00 0.00 N ATOM 615 CA PHE A 41 6.795 -3.914 4.711 1.00 0.00 C ATOM 616 C PHE A 41 6.674 -5.435 4.728 1.00 0.00 C ATOM 617 O PHE A 41 5.586 -5.980 4.915 1.00 0.00 O ATOM 618 CB PHE A 41 7.247 -3.412 6.084 1.00 0.00 C ATOM 619 CG PHE A 41 7.650 -1.965 6.090 1.00 0.00 C ATOM 620 CD1 PHE A 41 8.882 -1.573 5.591 1.00 0.00 C ATOM 621 CD2 PHE A 41 6.796 -0.997 6.593 1.00 0.00 C ATOM 622 CE1 PHE A 41 9.255 -0.242 5.597 1.00 0.00 C ATOM 623 CE2 PHE A 41 7.164 0.336 6.601 1.00 0.00 C ATOM 624 CZ PHE A 41 8.395 0.713 6.101 1.00 0.00 C ATOM 0 H PHE A 41 4.862 -3.205 5.103 1.00 0.00 H new ATOM 0 HA PHE A 41 7.540 -3.634 3.966 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.438 -3.559 6.800 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.088 -4.017 6.424 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.558 -2.315 5.193 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.832 -1.287 6.983 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.219 0.051 5.208 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.490 1.081 6.998 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.684 1.754 6.104 1.00 0.00 H new ATOM 634 N TYR A 42 7.799 -6.114 4.530 1.00 0.00 N ATOM 635 CA TYR A 42 7.819 -7.572 4.520 1.00 0.00 C ATOM 636 C TYR A 42 9.069 -8.105 5.214 1.00 0.00 C ATOM 637 O TYR A 42 10.143 -7.509 5.127 1.00 0.00 O ATOM 638 CB TYR A 42 7.759 -8.094 3.083 1.00 0.00 C ATOM 639 CG TYR A 42 9.023 -7.840 2.294 1.00 0.00 C ATOM 640 CD1 TYR A 42 10.097 -8.719 2.362 1.00 0.00 C ATOM 641 CD2 TYR A 42 9.144 -6.721 1.479 1.00 0.00 C ATOM 642 CE1 TYR A 42 11.254 -8.490 1.643 1.00 0.00 C ATOM 643 CE2 TYR A 42 10.296 -6.485 0.755 1.00 0.00 C ATOM 644 CZ TYR A 42 11.349 -7.372 0.841 1.00 0.00 C ATOM 645 OH TYR A 42 12.499 -7.141 0.122 1.00 0.00 O ATOM 0 H TYR A 42 8.708 -5.678 4.374 1.00 0.00 H new ATOM 0 HA TYR A 42 6.944 -7.925 5.065 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.562 -9.166 3.103 1.00 0.00 H new ATOM 0 HB3 TYR A 42 6.920 -7.625 2.570 1.00 0.00 H new ATOM 0 HD1 TYR A 42 10.026 -9.596 2.988 1.00 0.00 H new ATOM 0 HD2 TYR A 42 8.322 -6.023 1.411 1.00 0.00 H new ATOM 0 HE1 TYR A 42 12.080 -9.183 1.709 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.372 -5.611 0.125 1.00 0.00 H new ATOM 0 HH TYR A 42 12.325 -6.463 -0.564 1.00 0.00 H new ATOM 655 N TYR A 43 8.920 -9.231 5.903 1.00 0.00 N ATOM 656 CA TYR A 43 10.035 -9.844 6.615 1.00 0.00 C ATOM 657 C TYR A 43 10.141 -11.330 6.285 1.00 0.00 C ATOM 658 O TYR A 43 9.186 -11.942 5.807 1.00 0.00 O ATOM 659 CB TYR A 43 9.870 -9.656 8.124 1.00 0.00 C ATOM 660 CG TYR A 43 9.377 -8.280 8.512 1.00 0.00 C ATOM 661 CD1 TYR A 43 8.102 -7.853 8.162 1.00 0.00 C ATOM 662 CD2 TYR A 43 10.187 -7.408 9.230 1.00 0.00 C ATOM 663 CE1 TYR A 43 7.649 -6.596 8.514 1.00 0.00 C ATOM 664 CE2 TYR A 43 9.741 -6.150 9.587 1.00 0.00 C ATOM 665 CZ TYR A 43 8.471 -5.749 9.227 1.00 0.00 C ATOM 666 OH TYR A 43 8.022 -4.497 9.581 1.00 0.00 O ATOM 0 H TYR A 43 8.038 -9.738 5.984 1.00 0.00 H new ATOM 0 HA TYR A 43 10.953 -9.352 6.293 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.171 -10.403 8.501 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.827 -9.841 8.612 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.454 -8.514 7.606 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.182 -7.719 9.514 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.656 -6.278 8.232 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.383 -5.484 10.145 1.00 0.00 H new ATOM 0 HH TYR A 43 8.722 -4.027 10.080 1.00 0.00 H new ATOM 676 N LYS A 44 11.310 -11.905 6.545 1.00 0.00 N ATOM 677 CA LYS A 44 11.544 -13.319 6.279 1.00 0.00 C ATOM 678 C LYS A 44 10.467 -14.181 6.931 1.00 0.00 C ATOM 679 O LYS A 44 9.990 -15.149 6.338 1.00 0.00 O ATOM 680 CB LYS A 44 12.924 -13.735 6.792 1.00 0.00 C ATOM 681 CG LYS A 44 13.524 -14.911 6.040 1.00 0.00 C ATOM 682 CD LYS A 44 15.041 -14.903 6.111 1.00 0.00 C ATOM 683 CE LYS A 44 15.643 -13.974 5.068 1.00 0.00 C ATOM 684 NZ LYS A 44 17.094 -13.736 5.307 1.00 0.00 N ATOM 0 H LYS A 44 12.111 -11.413 6.940 1.00 0.00 H new ATOM 0 HA LYS A 44 11.503 -13.471 5.200 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.601 -12.884 6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.847 -13.991 7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.144 -15.843 6.458 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.208 -14.877 4.998 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.358 -14.589 7.106 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.419 -15.914 5.960 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.504 -14.404 4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.112 -13.022 5.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.466 -13.098 4.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.225 -13.302 6.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.605 -14.641 5.270 1.00 0.00 H new ATOM 698 N ASP A 45 10.087 -13.821 8.152 1.00 0.00 N ATOM 699 CA ASP A 45 9.064 -14.560 8.883 1.00 0.00 C ATOM 700 C ASP A 45 8.399 -13.673 9.932 1.00 0.00 C ATOM 701 O ASP A 45 8.714 -12.490 10.047 1.00 0.00 O ATOM 702 CB ASP A 45 9.675 -15.792 9.552 1.00 0.00 C ATOM 703 CG ASP A 45 10.720 -15.430 10.589 1.00 0.00 C ATOM 704 OD1 ASP A 45 11.746 -14.825 10.211 1.00 0.00 O ATOM 705 OD2 ASP A 45 10.512 -15.750 11.777 1.00 0.00 O ATOM 0 H ASP A 45 10.472 -13.022 8.656 1.00 0.00 H new ATOM 0 HA ASP A 45 8.304 -14.882 8.171 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.884 -16.374 10.025 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.128 -16.428 8.791 1.00 0.00 H new ATOM 710 N GLU A 46 7.477 -14.255 10.693 1.00 0.00 N ATOM 711 CA GLU A 46 6.767 -13.517 11.730 1.00 0.00 C ATOM 712 C GLU A 46 7.747 -12.814 12.665 1.00 0.00 C ATOM 713 O GLU A 46 7.516 -11.681 13.089 1.00 0.00 O ATOM 714 CB GLU A 46 5.866 -14.459 12.532 1.00 0.00 C ATOM 715 CG GLU A 46 6.587 -15.687 13.062 1.00 0.00 C ATOM 716 CD GLU A 46 7.227 -15.448 14.416 1.00 0.00 C ATOM 717 OE1 GLU A 46 6.952 -14.394 15.025 1.00 0.00 O ATOM 718 OE2 GLU A 46 8.003 -16.317 14.866 1.00 0.00 O ATOM 0 H GLU A 46 7.205 -15.235 10.610 1.00 0.00 H new ATOM 0 HA GLU A 46 6.149 -12.762 11.244 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.436 -13.911 13.370 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.037 -14.779 11.901 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.881 -16.514 13.139 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.355 -15.989 12.350 1.00 0.00 H new ATOM 725 N LYS A 47 8.842 -13.495 12.985 1.00 0.00 N ATOM 726 CA LYS A 47 9.859 -12.938 13.869 1.00 0.00 C ATOM 727 C LYS A 47 10.138 -11.478 13.527 1.00 0.00 C ATOM 728 O LYS A 47 10.528 -10.693 14.390 1.00 0.00 O ATOM 729 CB LYS A 47 11.151 -13.752 13.771 1.00 0.00 C ATOM 730 CG LYS A 47 11.019 -15.170 14.299 1.00 0.00 C ATOM 731 CD LYS A 47 11.200 -15.222 15.807 1.00 0.00 C ATOM 732 CE LYS A 47 12.669 -15.155 16.194 1.00 0.00 C ATOM 733 NZ LYS A 47 13.379 -16.431 15.900 1.00 0.00 N ATOM 0 H LYS A 47 9.048 -14.434 12.645 1.00 0.00 H new ATOM 0 HA LYS A 47 9.482 -12.987 14.891 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.469 -13.790 12.729 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.937 -13.239 14.325 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.039 -15.568 14.035 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.762 -15.808 13.820 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.663 -14.393 16.268 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.762 -16.141 16.196 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.150 -14.339 15.654 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.755 -14.928 17.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.299 -16.436 16.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.807 -17.232 16.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.528 -16.517 14.874 1.00 0.00 H new ATOM 747 N GLU A 48 9.934 -11.122 12.262 1.00 0.00 N ATOM 748 CA GLU A 48 10.163 -9.756 11.807 1.00 0.00 C ATOM 749 C GLU A 48 11.345 -9.130 12.541 1.00 0.00 C ATOM 750 O GLU A 48 11.259 -8.003 13.028 1.00 0.00 O ATOM 751 CB GLU A 48 8.908 -8.907 12.019 1.00 0.00 C ATOM 752 CG GLU A 48 8.499 -8.779 13.477 1.00 0.00 C ATOM 753 CD GLU A 48 7.107 -8.203 13.643 1.00 0.00 C ATOM 754 OE1 GLU A 48 6.208 -8.585 12.865 1.00 0.00 O ATOM 755 OE2 GLU A 48 6.915 -7.369 14.553 1.00 0.00 O ATOM 0 H GLU A 48 9.611 -11.760 11.535 1.00 0.00 H new ATOM 0 HA GLU A 48 10.395 -9.788 10.742 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.080 -7.911 11.610 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.084 -9.345 11.456 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.541 -9.760 13.950 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.216 -8.143 13.997 1.00 0.00 H new ATOM 762 N GLU A 49 12.447 -9.869 12.616 1.00 0.00 N ATOM 763 CA GLU A 49 13.646 -9.386 13.293 1.00 0.00 C ATOM 764 C GLU A 49 14.102 -8.054 12.705 1.00 0.00 C ATOM 765 O GLU A 49 14.320 -7.085 13.433 1.00 0.00 O ATOM 766 CB GLU A 49 14.771 -10.417 13.181 1.00 0.00 C ATOM 767 CG GLU A 49 14.414 -11.774 13.765 1.00 0.00 C ATOM 768 CD GLU A 49 13.781 -12.700 12.745 1.00 0.00 C ATOM 769 OE1 GLU A 49 13.390 -12.212 11.664 1.00 0.00 O ATOM 770 OE2 GLU A 49 13.678 -13.912 13.026 1.00 0.00 O ATOM 0 H GLU A 49 12.535 -10.804 12.217 1.00 0.00 H new ATOM 0 HA GLU A 49 13.404 -9.236 14.345 1.00 0.00 H new ATOM 0 HB2 GLU A 49 15.035 -10.541 12.131 1.00 0.00 H new ATOM 0 HB3 GLU A 49 15.656 -10.034 13.689 1.00 0.00 H new ATOM 0 HG2 GLU A 49 15.314 -12.241 14.165 1.00 0.00 H new ATOM 0 HG3 GLU A 49 13.728 -11.637 14.601 1.00 0.00 H new ATOM 777 N SER A 50 14.244 -8.013 11.385 1.00 0.00 N ATOM 778 CA SER A 50 14.679 -6.802 10.699 1.00 0.00 C ATOM 779 C SER A 50 14.059 -6.713 9.308 1.00 0.00 C ATOM 780 O SER A 50 13.982 -7.707 8.586 1.00 0.00 O ATOM 781 CB SER A 50 16.205 -6.770 10.593 1.00 0.00 C ATOM 782 OG SER A 50 16.667 -7.678 9.609 1.00 0.00 O ATOM 0 H SER A 50 14.064 -8.805 10.768 1.00 0.00 H new ATOM 0 HA SER A 50 14.345 -5.944 11.282 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.534 -5.761 10.344 1.00 0.00 H new ATOM 0 HB3 SER A 50 16.645 -7.020 11.558 1.00 0.00 H new ATOM 0 HG SER A 50 17.645 -7.637 9.560 1.00 0.00 H new ATOM 788 N ILE A 51 13.619 -5.514 8.939 1.00 0.00 N ATOM 789 CA ILE A 51 13.007 -5.294 7.634 1.00 0.00 C ATOM 790 C ILE A 51 14.019 -5.497 6.511 1.00 0.00 C ATOM 791 O ILE A 51 15.109 -4.924 6.532 1.00 0.00 O ATOM 792 CB ILE A 51 12.411 -3.879 7.524 1.00 0.00 C ATOM 793 CG1 ILE A 51 11.335 -3.670 8.591 1.00 0.00 C ATOM 794 CG2 ILE A 51 11.836 -3.653 6.133 1.00 0.00 C ATOM 795 CD1 ILE A 51 10.920 -2.225 8.757 1.00 0.00 C ATOM 0 H ILE A 51 13.675 -4.681 9.525 1.00 0.00 H new ATOM 0 HA ILE A 51 12.205 -6.026 7.533 1.00 0.00 H new ATOM 0 HB ILE A 51 13.206 -3.152 7.690 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.458 -4.264 8.332 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.704 -4.045 9.546 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.418 -2.648 6.071 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.626 -3.764 5.390 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.051 -4.385 5.940 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.155 -2.153 9.530 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.785 -1.629 9.047 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.520 -1.851 7.814 1.00 0.00 H new ATOM 807 N LEU A 52 13.650 -6.314 5.531 1.00 0.00 N ATOM 808 CA LEU A 52 14.525 -6.591 4.397 1.00 0.00 C ATOM 809 C LEU A 52 14.231 -5.643 3.238 1.00 0.00 C ATOM 810 O LEU A 52 15.145 -5.145 2.583 1.00 0.00 O ATOM 811 CB LEU A 52 14.356 -8.041 3.940 1.00 0.00 C ATOM 812 CG LEU A 52 14.652 -9.114 4.988 1.00 0.00 C ATOM 813 CD1 LEU A 52 13.823 -10.361 4.724 1.00 0.00 C ATOM 814 CD2 LEU A 52 16.136 -9.450 5.003 1.00 0.00 C ATOM 0 H LEU A 52 12.752 -6.796 5.498 1.00 0.00 H new ATOM 0 HA LEU A 52 15.555 -6.435 4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 52 13.332 -8.174 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 52 15.008 -8.209 3.083 1.00 0.00 H new ATOM 0 HG LEU A 52 14.379 -8.723 5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.047 -11.114 5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.763 -10.109 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 52 14.063 -10.755 3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 52 16.328 -10.215 5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.435 -9.821 4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 52 16.709 -8.554 5.242 1.00 0.00 H new ATOM 826 N GLY A 53 12.947 -5.397 2.992 1.00 0.00 N ATOM 827 CA GLY A 53 12.556 -4.508 1.914 1.00 0.00 C ATOM 828 C GLY A 53 11.192 -3.887 2.142 1.00 0.00 C ATOM 829 O GLY A 53 10.361 -4.442 2.861 1.00 0.00 O ATOM 0 H GLY A 53 12.172 -5.798 3.520 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.299 -3.717 1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.548 -5.062 0.975 1.00 0.00 H new ATOM 833 N SER A 54 10.960 -2.730 1.528 1.00 0.00 N ATOM 834 CA SER A 54 9.690 -2.030 1.672 1.00 0.00 C ATOM 835 C SER A 54 9.046 -1.787 0.310 1.00 0.00 C ATOM 836 O SER A 54 9.729 -1.756 -0.714 1.00 0.00 O ATOM 837 CB SER A 54 9.896 -0.698 2.396 1.00 0.00 C ATOM 838 OG SER A 54 8.760 0.138 2.261 1.00 0.00 O ATOM 0 H SER A 54 11.636 -2.259 0.926 1.00 0.00 H new ATOM 0 HA SER A 54 9.023 -2.657 2.263 1.00 0.00 H new ATOM 0 HB2 SER A 54 10.093 -0.882 3.452 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.773 -0.193 1.992 1.00 0.00 H new ATOM 0 HG SER A 54 8.424 0.379 3.149 1.00 0.00 H new ATOM 844 N ILE A 55 7.728 -1.617 0.308 1.00 0.00 N ATOM 845 CA ILE A 55 6.992 -1.376 -0.927 1.00 0.00 C ATOM 846 C ILE A 55 6.114 -0.135 -0.810 1.00 0.00 C ATOM 847 O ILE A 55 5.067 -0.143 -0.163 1.00 0.00 O ATOM 848 CB ILE A 55 6.110 -2.582 -1.301 1.00 0.00 C ATOM 849 CG1 ILE A 55 6.957 -3.853 -1.389 1.00 0.00 C ATOM 850 CG2 ILE A 55 5.392 -2.325 -2.617 1.00 0.00 C ATOM 851 CD1 ILE A 55 6.163 -5.124 -1.179 1.00 0.00 C ATOM 0 H ILE A 55 7.148 -1.642 1.147 1.00 0.00 H new ATOM 0 HA ILE A 55 7.733 -1.221 -1.711 1.00 0.00 H new ATOM 0 HB ILE A 55 5.360 -2.721 -0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.438 -3.892 -2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.751 -3.803 -0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.773 -3.186 -2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.762 -1.441 -2.521 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.126 -2.164 -3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.827 -5.985 -1.255 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.703 -5.107 -0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.386 -5.197 -1.940 1.00 0.00 H new ATOM 863 N PRO A 56 6.548 0.960 -1.453 1.00 0.00 N ATOM 864 CA PRO A 56 5.815 2.229 -1.439 1.00 0.00 C ATOM 865 C PRO A 56 4.516 2.157 -2.234 1.00 0.00 C ATOM 866 O PRO A 56 4.531 2.119 -3.465 1.00 0.00 O ATOM 867 CB PRO A 56 6.790 3.209 -2.095 1.00 0.00 C ATOM 868 CG PRO A 56 7.659 2.359 -2.957 1.00 0.00 C ATOM 869 CD PRO A 56 7.787 1.042 -2.244 1.00 0.00 C ATOM 0 HA PRO A 56 5.515 2.515 -0.431 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.261 3.959 -2.683 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.376 3.744 -1.348 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.219 2.227 -3.945 1.00 0.00 H new ATOM 0 HG3 PRO A 56 8.636 2.821 -3.102 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.871 0.212 -2.945 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.672 1.014 -1.608 1.00 0.00 H new ATOM 877 N LEU A 57 3.393 2.140 -1.524 1.00 0.00 N ATOM 878 CA LEU A 57 2.084 2.073 -2.164 1.00 0.00 C ATOM 879 C LEU A 57 1.437 3.453 -2.224 1.00 0.00 C ATOM 880 O LEU A 57 0.329 3.653 -1.723 1.00 0.00 O ATOM 881 CB LEU A 57 1.174 1.102 -1.409 1.00 0.00 C ATOM 882 CG LEU A 57 1.582 -0.371 -1.452 1.00 0.00 C ATOM 883 CD1 LEU A 57 0.660 -1.205 -0.577 1.00 0.00 C ATOM 884 CD2 LEU A 57 1.572 -0.886 -2.884 1.00 0.00 C ATOM 0 H LEU A 57 3.363 2.172 -0.505 1.00 0.00 H new ATOM 0 HA LEU A 57 2.223 1.712 -3.183 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.128 1.415 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.166 1.191 -1.814 1.00 0.00 H new ATOM 0 HG LEU A 57 2.596 -0.459 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.965 -2.251 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.718 -0.852 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.365 -1.111 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.865 -1.936 -2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.570 -0.784 -3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.274 -0.307 -3.484 1.00 0.00 H new ATOM 896 N LEU A 58 2.132 4.401 -2.842 1.00 0.00 N ATOM 897 CA LEU A 58 1.624 5.762 -2.970 1.00 0.00 C ATOM 898 C LEU A 58 0.339 5.789 -3.791 1.00 0.00 C ATOM 899 O LEU A 58 -0.740 6.059 -3.264 1.00 0.00 O ATOM 900 CB LEU A 58 2.677 6.661 -3.621 1.00 0.00 C ATOM 901 CG LEU A 58 2.210 8.061 -4.022 1.00 0.00 C ATOM 902 CD1 LEU A 58 1.294 8.643 -2.956 1.00 0.00 C ATOM 903 CD2 LEU A 58 3.403 8.975 -4.258 1.00 0.00 C ATOM 0 H LEU A 58 3.049 4.252 -3.263 1.00 0.00 H new ATOM 0 HA LEU A 58 1.403 6.136 -1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.515 6.763 -2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.056 6.158 -4.511 1.00 0.00 H new ATOM 0 HG LEU A 58 1.648 7.983 -4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.971 9.639 -3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.422 8.000 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.831 8.707 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.051 9.967 -4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.992 9.047 -3.344 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.022 8.567 -5.057 1.00 0.00 H new ATOM 915 N SER A 59 0.462 5.505 -5.084 1.00 0.00 N ATOM 916 CA SER A 59 -0.690 5.498 -5.978 1.00 0.00 C ATOM 917 C SER A 59 -0.712 4.229 -6.825 1.00 0.00 C ATOM 918 O SER A 59 -1.168 4.240 -7.969 1.00 0.00 O ATOM 919 CB SER A 59 -0.666 6.730 -6.884 1.00 0.00 C ATOM 920 OG SER A 59 0.335 6.611 -7.880 1.00 0.00 O ATOM 0 H SER A 59 1.348 5.277 -5.536 1.00 0.00 H new ATOM 0 HA SER A 59 -1.593 5.522 -5.368 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.640 6.857 -7.356 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.483 7.622 -6.285 1.00 0.00 H new ATOM 0 HG SER A 59 0.329 7.410 -8.447 1.00 0.00 H new ATOM 926 N PHE A 60 -0.216 3.136 -6.255 1.00 0.00 N ATOM 927 CA PHE A 60 -0.177 1.858 -6.957 1.00 0.00 C ATOM 928 C PHE A 60 -1.588 1.337 -7.217 1.00 0.00 C ATOM 929 O PHE A 60 -2.540 1.730 -6.542 1.00 0.00 O ATOM 930 CB PHE A 60 0.617 0.831 -6.147 1.00 0.00 C ATOM 931 CG PHE A 60 2.094 0.871 -6.412 1.00 0.00 C ATOM 932 CD1 PHE A 60 2.833 2.008 -6.122 1.00 0.00 C ATOM 933 CD2 PHE A 60 2.745 -0.227 -6.951 1.00 0.00 C ATOM 934 CE1 PHE A 60 4.193 2.048 -6.366 1.00 0.00 C ATOM 935 CE2 PHE A 60 4.105 -0.193 -7.196 1.00 0.00 C ATOM 936 CZ PHE A 60 4.830 0.946 -6.903 1.00 0.00 C ATOM 0 H PHE A 60 0.165 3.109 -5.309 1.00 0.00 H new ATOM 0 HA PHE A 60 0.316 2.014 -7.916 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.442 1.004 -5.085 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.242 -0.167 -6.374 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.340 2.872 -5.701 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.183 -1.120 -7.182 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.757 2.940 -6.137 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.600 -1.056 -7.616 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.893 0.975 -7.093 1.00 0.00 H new ATOM 946 N ARG A 61 -1.713 0.451 -8.199 1.00 0.00 N ATOM 947 CA ARG A 61 -3.007 -0.123 -8.550 1.00 0.00 C ATOM 948 C ARG A 61 -3.061 -1.604 -8.189 1.00 0.00 C ATOM 949 O ARG A 61 -2.558 -2.452 -8.926 1.00 0.00 O ATOM 950 CB ARG A 61 -3.281 0.059 -10.044 1.00 0.00 C ATOM 951 CG ARG A 61 -4.729 -0.191 -10.432 1.00 0.00 C ATOM 952 CD ARG A 61 -5.032 0.337 -11.825 1.00 0.00 C ATOM 953 NE ARG A 61 -4.234 -0.332 -12.850 1.00 0.00 N ATOM 954 CZ ARG A 61 -4.472 -0.226 -14.152 1.00 0.00 C ATOM 955 NH1 ARG A 61 -5.479 0.518 -14.587 1.00 0.00 N ATOM 956 NH2 ARG A 61 -3.701 -0.865 -15.023 1.00 0.00 N ATOM 0 H ARG A 61 -0.935 0.115 -8.766 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.775 0.400 -7.980 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.006 1.073 -10.334 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.640 -0.619 -10.608 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.938 -1.260 -10.394 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.389 0.288 -9.709 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.091 0.199 -12.043 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.837 1.409 -11.857 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.451 -0.912 -12.549 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.074 1.011 -13.921 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.659 0.597 -15.588 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.925 -1.438 -14.692 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.885 -0.783 -16.023 1.00 0.00 H new ATOM 970 N VAL A 62 -3.673 -1.909 -7.049 1.00 0.00 N ATOM 971 CA VAL A 62 -3.793 -3.287 -6.590 1.00 0.00 C ATOM 972 C VAL A 62 -5.120 -3.898 -7.025 1.00 0.00 C ATOM 973 O VAL A 62 -6.184 -3.328 -6.789 1.00 0.00 O ATOM 974 CB VAL A 62 -3.675 -3.381 -5.057 1.00 0.00 C ATOM 975 CG1 VAL A 62 -3.563 -4.832 -4.617 1.00 0.00 C ATOM 976 CG2 VAL A 62 -2.485 -2.571 -4.563 1.00 0.00 C ATOM 0 H VAL A 62 -4.094 -1.219 -6.426 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.974 -3.844 -7.045 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.579 -2.962 -4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.481 -4.878 -3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.450 -5.379 -4.937 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.678 -5.281 -5.067 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.417 -2.649 -3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.570 -2.957 -5.012 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.614 -1.526 -4.844 1.00 0.00 H new ATOM 986 N ALA A 63 -5.048 -5.062 -7.662 1.00 0.00 N ATOM 987 CA ALA A 63 -6.245 -5.752 -8.129 1.00 0.00 C ATOM 988 C ALA A 63 -5.918 -7.171 -8.583 1.00 0.00 C ATOM 989 O ALA A 63 -4.754 -7.566 -8.625 1.00 0.00 O ATOM 990 CB ALA A 63 -6.897 -4.971 -9.260 1.00 0.00 C ATOM 0 H ALA A 63 -4.174 -5.547 -7.867 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.946 -5.817 -7.296 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.789 -5.498 -9.599 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.174 -3.979 -8.904 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.195 -4.876 -10.089 1.00 0.00 H new ATOM 996 N ALA A 64 -6.954 -7.932 -8.921 1.00 0.00 N ATOM 997 CA ALA A 64 -6.776 -9.306 -9.374 1.00 0.00 C ATOM 998 C ALA A 64 -5.940 -9.361 -10.647 1.00 0.00 C ATOM 999 O ALA A 64 -6.168 -8.597 -11.585 1.00 0.00 O ATOM 1000 CB ALA A 64 -8.128 -9.966 -9.599 1.00 0.00 C ATOM 0 H ALA A 64 -7.925 -7.620 -8.890 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.242 -9.852 -8.597 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.980 -10.992 -9.937 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.691 -9.969 -8.666 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.682 -9.411 -10.356 1.00 0.00 H new ATOM 1006 N VAL A 65 -4.970 -10.270 -10.674 1.00 0.00 N ATOM 1007 CA VAL A 65 -4.099 -10.425 -11.833 1.00 0.00 C ATOM 1008 C VAL A 65 -4.898 -10.812 -13.073 1.00 0.00 C ATOM 1009 O VAL A 65 -6.034 -11.275 -12.971 1.00 0.00 O ATOM 1010 CB VAL A 65 -3.014 -11.488 -11.582 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -2.021 -11.003 -10.537 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -3.647 -12.805 -11.157 1.00 0.00 C ATOM 0 H VAL A 65 -4.768 -10.910 -9.906 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.620 -9.460 -12.000 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.472 -11.655 -12.513 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.262 -11.768 -10.373 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.544 -10.087 -10.886 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.545 -10.806 -9.602 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.866 -13.545 -10.984 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.216 -12.656 -10.239 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.314 -13.159 -11.943 1.00 0.00 H new ATOM 1022 N GLN A 66 -4.296 -10.620 -14.242 1.00 0.00 N ATOM 1023 CA GLN A 66 -4.952 -10.949 -15.502 1.00 0.00 C ATOM 1024 C GLN A 66 -4.465 -12.292 -16.034 1.00 0.00 C ATOM 1025 O GLN A 66 -3.376 -12.762 -15.702 1.00 0.00 O ATOM 1026 CB GLN A 66 -4.695 -9.853 -16.537 1.00 0.00 C ATOM 1027 CG GLN A 66 -5.730 -8.739 -16.514 1.00 0.00 C ATOM 1028 CD GLN A 66 -5.609 -7.805 -17.702 1.00 0.00 C ATOM 1029 OE1 GLN A 66 -6.487 -7.763 -18.564 1.00 0.00 O ATOM 1030 NE2 GLN A 66 -4.518 -7.050 -17.753 1.00 0.00 N ATOM 0 H GLN A 66 -3.355 -10.238 -14.343 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.024 -11.019 -15.317 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.708 -9.424 -16.362 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.677 -10.300 -17.531 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.728 -9.176 -16.501 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.621 -8.166 -15.593 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.816 -7.118 -17.016 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.382 -6.402 -18.529 1.00 0.00 H new ATOM 1039 N PRO A 67 -5.289 -12.928 -16.881 1.00 0.00 N ATOM 1040 CA PRO A 67 -4.962 -14.226 -17.478 1.00 0.00 C ATOM 1041 C PRO A 67 -3.832 -14.128 -18.497 1.00 0.00 C ATOM 1042 O PRO A 67 -3.430 -15.129 -19.091 1.00 0.00 O ATOM 1043 CB PRO A 67 -6.266 -14.639 -18.165 1.00 0.00 C ATOM 1044 CG PRO A 67 -6.969 -13.355 -18.446 1.00 0.00 C ATOM 1045 CD PRO A 67 -6.601 -12.427 -17.322 1.00 0.00 C ATOM 0 HA PRO A 67 -4.611 -14.940 -16.733 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.071 -15.193 -19.083 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.864 -15.286 -17.523 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.662 -12.944 -19.408 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.048 -13.503 -18.493 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.543 -11.392 -17.658 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.335 -12.460 -16.517 1.00 0.00 H new ATOM 1053 N SER A 68 -3.321 -12.917 -18.693 1.00 0.00 N ATOM 1054 CA SER A 68 -2.239 -12.688 -19.643 1.00 0.00 C ATOM 1055 C SER A 68 -1.019 -12.095 -18.944 1.00 0.00 C ATOM 1056 O SER A 68 -0.259 -11.332 -19.539 1.00 0.00 O ATOM 1057 CB SER A 68 -2.703 -11.755 -20.763 1.00 0.00 C ATOM 1058 OG SER A 68 -3.176 -10.526 -20.239 1.00 0.00 O ATOM 0 H SER A 68 -3.639 -12.079 -18.206 1.00 0.00 H new ATOM 0 HA SER A 68 -1.958 -13.649 -20.074 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.878 -11.568 -21.450 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.493 -12.237 -21.338 1.00 0.00 H new ATOM 0 HG SER A 68 -3.465 -9.946 -20.974 1.00 0.00 H new ATOM 1144 N LYS A 74 -4.597 -18.891 -8.676 1.00 0.00 N ATOM 1145 CA LYS A 74 -5.884 -18.413 -8.183 1.00 0.00 C ATOM 1146 C LYS A 74 -5.704 -17.557 -6.933 1.00 0.00 C ATOM 1147 O LYS A 74 -4.729 -17.713 -6.197 1.00 0.00 O ATOM 1148 CB LYS A 74 -6.807 -19.595 -7.877 1.00 0.00 C ATOM 1149 CG LYS A 74 -7.490 -20.168 -9.106 1.00 0.00 C ATOM 1150 CD LYS A 74 -8.832 -20.790 -8.759 1.00 0.00 C ATOM 1151 CE LYS A 74 -9.726 -20.906 -9.984 1.00 0.00 C ATOM 1152 NZ LYS A 74 -9.150 -21.824 -11.006 1.00 0.00 N ATOM 0 HA LYS A 74 -6.337 -17.798 -8.960 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.228 -20.382 -7.394 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.568 -19.276 -7.165 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.634 -19.379 -9.845 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.847 -20.920 -9.563 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.675 -21.778 -8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.329 -20.185 -8.000 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.709 -21.268 -9.683 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.871 -19.919 -10.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.812 -21.916 -11.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.247 -21.439 -11.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.988 -22.759 -10.581 1.00 0.00 H new ATOM 1166 N HIS A 75 -6.650 -16.654 -6.699 1.00 0.00 N ATOM 1167 CA HIS A 75 -6.597 -15.775 -5.536 1.00 0.00 C ATOM 1168 C HIS A 75 -5.293 -14.983 -5.514 1.00 0.00 C ATOM 1169 O HIS A 75 -4.665 -14.828 -4.465 1.00 0.00 O ATOM 1170 CB HIS A 75 -6.736 -16.588 -4.249 1.00 0.00 C ATOM 1171 CG HIS A 75 -7.657 -17.761 -4.378 1.00 0.00 C ATOM 1172 ND1 HIS A 75 -8.905 -17.678 -4.958 1.00 0.00 N ATOM 1173 CD2 HIS A 75 -7.505 -19.052 -3.999 1.00 0.00 C ATOM 1174 CE1 HIS A 75 -9.482 -18.866 -4.929 1.00 0.00 C ATOM 1175 NE2 HIS A 75 -8.653 -19.718 -4.353 1.00 0.00 N ATOM 0 H HIS A 75 -7.463 -16.511 -7.299 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.428 -15.072 -5.603 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.751 -16.942 -3.944 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.100 -15.936 -3.455 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.642 -19.479 -3.510 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.464 -19.101 -5.311 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.836 -20.709 -4.197 1.00 0.00 H new ATOM 1184 N THR A 76 -4.890 -14.482 -6.678 1.00 0.00 N ATOM 1185 CA THR A 76 -3.660 -13.708 -6.792 1.00 0.00 C ATOM 1186 C THR A 76 -3.942 -12.303 -7.313 1.00 0.00 C ATOM 1187 O THR A 76 -4.772 -12.115 -8.203 1.00 0.00 O ATOM 1188 CB THR A 76 -2.648 -14.397 -7.726 1.00 0.00 C ATOM 1189 OG1 THR A 76 -2.518 -15.779 -7.374 1.00 0.00 O ATOM 1190 CG2 THR A 76 -1.289 -13.718 -7.646 1.00 0.00 C ATOM 0 H THR A 76 -5.398 -14.599 -7.555 1.00 0.00 H new ATOM 0 HA THR A 76 -3.233 -13.642 -5.791 1.00 0.00 H new ATOM 0 HB THR A 76 -3.017 -14.316 -8.748 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.874 -16.210 -7.974 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.591 -14.222 -8.314 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.386 -12.674 -7.943 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.915 -13.771 -6.623 1.00 0.00 H new ATOM 1198 N PHE A 77 -3.245 -11.319 -6.754 1.00 0.00 N ATOM 1199 CA PHE A 77 -3.420 -9.931 -7.162 1.00 0.00 C ATOM 1200 C PHE A 77 -2.077 -9.288 -7.494 1.00 0.00 C ATOM 1201 O PHE A 77 -1.027 -9.749 -7.045 1.00 0.00 O ATOM 1202 CB PHE A 77 -4.120 -9.136 -6.057 1.00 0.00 C ATOM 1203 CG PHE A 77 -3.598 -9.437 -4.681 1.00 0.00 C ATOM 1204 CD1 PHE A 77 -3.855 -10.659 -4.080 1.00 0.00 C ATOM 1205 CD2 PHE A 77 -2.852 -8.497 -3.988 1.00 0.00 C ATOM 1206 CE1 PHE A 77 -3.376 -10.939 -2.814 1.00 0.00 C ATOM 1207 CE2 PHE A 77 -2.371 -8.771 -2.722 1.00 0.00 C ATOM 1208 CZ PHE A 77 -2.634 -9.993 -2.134 1.00 0.00 C ATOM 0 H PHE A 77 -2.554 -11.458 -6.017 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.041 -9.918 -8.058 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.003 -8.071 -6.257 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.188 -9.350 -6.087 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.436 -11.401 -4.607 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.644 -7.540 -4.443 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.582 -11.896 -2.357 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.790 -8.030 -2.193 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.260 -10.208 -1.144 1.00 0.00 H new ATOM 1218 N LYS A 78 -2.118 -8.219 -8.283 1.00 0.00 N ATOM 1219 CA LYS A 78 -0.905 -7.511 -8.676 1.00 0.00 C ATOM 1220 C LYS A 78 -1.052 -6.011 -8.441 1.00 0.00 C ATOM 1221 O LYS A 78 -2.137 -5.452 -8.595 1.00 0.00 O ATOM 1222 CB LYS A 78 -0.588 -7.778 -10.149 1.00 0.00 C ATOM 1223 CG LYS A 78 -1.671 -7.302 -11.101 1.00 0.00 C ATOM 1224 CD LYS A 78 -1.118 -7.047 -12.493 1.00 0.00 C ATOM 1225 CE LYS A 78 -1.999 -6.087 -13.276 1.00 0.00 C ATOM 1226 NZ LYS A 78 -1.364 -5.671 -14.557 1.00 0.00 N ATOM 0 H LYS A 78 -2.978 -7.824 -8.663 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.083 -7.880 -8.062 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.350 -7.286 -10.405 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.436 -8.848 -10.291 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.463 -8.049 -11.155 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.120 -6.387 -10.714 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.111 -6.637 -12.416 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.038 -7.991 -13.032 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.958 -6.561 -13.483 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.204 -5.205 -12.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.996 -5.017 -15.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.461 -5.196 -14.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.191 -6.510 -15.147 1.00 0.00 H new ATOM 1240 N ALA A 79 0.048 -5.365 -8.069 1.00 0.00 N ATOM 1241 CA ALA A 79 0.043 -3.929 -7.816 1.00 0.00 C ATOM 1242 C ALA A 79 0.885 -3.187 -8.848 1.00 0.00 C ATOM 1243 O ALA A 79 2.114 -3.186 -8.774 1.00 0.00 O ATOM 1244 CB ALA A 79 0.548 -3.638 -6.411 1.00 0.00 C ATOM 0 H ALA A 79 0.954 -5.813 -7.936 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.984 -3.574 -7.901 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.539 -2.562 -6.237 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.098 -4.129 -5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.566 -4.014 -6.305 1.00 0.00 H new ATOM 1250 N GLU A 80 0.217 -2.557 -9.809 1.00 0.00 N ATOM 1251 CA GLU A 80 0.906 -1.813 -10.856 1.00 0.00 C ATOM 1252 C GLU A 80 0.869 -0.314 -10.573 1.00 0.00 C ATOM 1253 O GLU A 80 -0.197 0.260 -10.345 1.00 0.00 O ATOM 1254 CB GLU A 80 0.273 -2.101 -12.219 1.00 0.00 C ATOM 1255 CG GLU A 80 0.360 -0.936 -13.190 1.00 0.00 C ATOM 1256 CD GLU A 80 0.359 -1.382 -14.639 1.00 0.00 C ATOM 1257 OE1 GLU A 80 -0.663 -1.946 -15.084 1.00 0.00 O ATOM 1258 OE2 GLU A 80 1.378 -1.168 -15.327 1.00 0.00 O ATOM 0 H GLU A 80 -0.800 -2.547 -9.884 1.00 0.00 H new ATOM 0 HA GLU A 80 1.947 -2.137 -10.871 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.763 -2.969 -12.661 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.775 -2.365 -12.075 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.481 -0.263 -13.020 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.268 -0.368 -12.989 1.00 0.00 H new ATOM 1265 N HIS A 81 2.040 0.315 -10.588 1.00 0.00 N ATOM 1266 CA HIS A 81 2.142 1.748 -10.333 1.00 0.00 C ATOM 1267 C HIS A 81 2.254 2.526 -11.641 1.00 0.00 C ATOM 1268 O HIS A 81 2.437 1.941 -12.708 1.00 0.00 O ATOM 1269 CB HIS A 81 3.351 2.044 -9.445 1.00 0.00 C ATOM 1270 CG HIS A 81 3.560 3.504 -9.186 1.00 0.00 C ATOM 1271 ND1 HIS A 81 4.393 4.292 -9.952 1.00 0.00 N ATOM 1272 CD2 HIS A 81 3.038 4.319 -8.240 1.00 0.00 C ATOM 1273 CE1 HIS A 81 4.375 5.529 -9.487 1.00 0.00 C ATOM 1274 NE2 HIS A 81 3.560 5.572 -8.449 1.00 0.00 N ATOM 0 H HIS A 81 2.931 -0.145 -10.774 1.00 0.00 H new ATOM 0 HA HIS A 81 1.235 2.066 -9.818 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.227 1.528 -8.493 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.245 1.635 -9.915 1.00 0.00 H new ATOM 0 HD2 HIS A 81 2.341 4.037 -7.465 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.932 6.363 -9.888 1.00 0.00 H new ATOM 0 HE2 HIS A 81 3.352 6.401 -7.893 1.00 0.00 H new ATOM 1316 N ARG A 85 7.164 0.430 -11.142 1.00 0.00 N ATOM 1317 CA ARG A 85 7.275 -1.011 -10.952 1.00 0.00 C ATOM 1318 C ARG A 85 5.905 -1.633 -10.700 1.00 0.00 C ATOM 1319 O ARG A 85 4.946 -0.936 -10.364 1.00 0.00 O ATOM 1320 CB ARG A 85 8.212 -1.323 -9.784 1.00 0.00 C ATOM 1321 CG ARG A 85 8.850 -2.700 -9.865 1.00 0.00 C ATOM 1322 CD ARG A 85 10.174 -2.745 -9.119 1.00 0.00 C ATOM 1323 NE ARG A 85 10.998 -3.877 -9.535 1.00 0.00 N ATOM 1324 CZ ARG A 85 12.273 -4.023 -9.192 1.00 0.00 C ATOM 1325 NH1 ARG A 85 12.866 -3.114 -8.430 1.00 0.00 N ATOM 1326 NH2 ARG A 85 12.957 -5.080 -9.610 1.00 0.00 N ATOM 0 HA ARG A 85 7.688 -1.442 -11.864 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.999 -0.569 -9.749 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.654 -1.245 -8.851 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.170 -3.442 -9.447 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.010 -2.967 -10.910 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.719 -1.817 -9.292 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.984 -2.809 -8.048 1.00 0.00 H new ATOM 0 HE ARG A 85 10.571 -4.595 -10.121 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.343 -2.300 -8.106 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.845 -3.228 -8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.504 -5.782 -10.195 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.936 -5.191 -9.346 1.00 0.00 H new ATOM 1340 N THR A 86 5.818 -2.950 -10.863 1.00 0.00 N ATOM 1341 CA THR A 86 4.566 -3.665 -10.655 1.00 0.00 C ATOM 1342 C THR A 86 4.786 -4.932 -9.836 1.00 0.00 C ATOM 1343 O THR A 86 5.246 -5.948 -10.358 1.00 0.00 O ATOM 1344 CB THR A 86 3.904 -4.042 -11.994 1.00 0.00 C ATOM 1345 OG1 THR A 86 3.585 -2.857 -12.733 1.00 0.00 O ATOM 1346 CG2 THR A 86 2.641 -4.857 -11.764 1.00 0.00 C ATOM 0 H THR A 86 6.601 -3.543 -11.139 1.00 0.00 H new ATOM 0 HA THR A 86 3.905 -2.992 -10.109 1.00 0.00 H new ATOM 0 HB THR A 86 4.609 -4.648 -12.564 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.166 -3.105 -13.584 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.192 -5.111 -12.724 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.891 -5.772 -11.227 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.933 -4.273 -11.176 1.00 0.00 H new ATOM 1354 N TYR A 87 4.455 -4.866 -8.552 1.00 0.00 N ATOM 1355 CA TYR A 87 4.618 -6.008 -7.660 1.00 0.00 C ATOM 1356 C TYR A 87 3.458 -6.987 -7.811 1.00 0.00 C ATOM 1357 O TYR A 87 2.430 -6.663 -8.406 1.00 0.00 O ATOM 1358 CB TYR A 87 4.719 -5.538 -6.208 1.00 0.00 C ATOM 1359 CG TYR A 87 5.912 -4.648 -5.941 1.00 0.00 C ATOM 1360 CD1 TYR A 87 5.940 -3.336 -6.396 1.00 0.00 C ATOM 1361 CD2 TYR A 87 7.011 -5.120 -5.234 1.00 0.00 C ATOM 1362 CE1 TYR A 87 7.028 -2.519 -6.154 1.00 0.00 C ATOM 1363 CE2 TYR A 87 8.102 -4.311 -4.987 1.00 0.00 C ATOM 1364 CZ TYR A 87 8.106 -3.011 -5.449 1.00 0.00 C ATOM 1365 OH TYR A 87 9.193 -2.202 -5.206 1.00 0.00 O ATOM 0 H TYR A 87 4.072 -4.033 -8.105 1.00 0.00 H new ATOM 0 HA TYR A 87 5.540 -6.521 -7.933 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.809 -4.999 -5.945 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.773 -6.410 -5.556 1.00 0.00 H new ATOM 0 HD1 TYR A 87 5.097 -2.948 -6.948 1.00 0.00 H new ATOM 0 HD2 TYR A 87 7.012 -6.137 -4.871 1.00 0.00 H new ATOM 0 HE1 TYR A 87 7.034 -1.501 -6.515 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.948 -4.694 -4.435 1.00 0.00 H new ATOM 0 HH TYR A 87 9.865 -2.701 -4.696 1.00 0.00 H new ATOM 1375 N PHE A 88 3.631 -8.187 -7.266 1.00 0.00 N ATOM 1376 CA PHE A 88 2.599 -9.215 -7.339 1.00 0.00 C ATOM 1377 C PHE A 88 2.463 -9.945 -6.006 1.00 0.00 C ATOM 1378 O PHE A 88 3.423 -10.047 -5.241 1.00 0.00 O ATOM 1379 CB PHE A 88 2.924 -10.216 -8.450 1.00 0.00 C ATOM 1380 CG PHE A 88 2.692 -9.674 -9.832 1.00 0.00 C ATOM 1381 CD1 PHE A 88 3.610 -8.817 -10.418 1.00 0.00 C ATOM 1382 CD2 PHE A 88 1.556 -10.022 -10.545 1.00 0.00 C ATOM 1383 CE1 PHE A 88 3.398 -8.317 -11.688 1.00 0.00 C ATOM 1384 CE2 PHE A 88 1.339 -9.525 -11.816 1.00 0.00 C ATOM 1385 CZ PHE A 88 2.262 -8.672 -12.389 1.00 0.00 C ATOM 0 H PHE A 88 4.475 -8.471 -6.769 1.00 0.00 H new ATOM 0 HA PHE A 88 1.651 -8.727 -7.565 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.966 -10.522 -8.359 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.316 -11.110 -8.312 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.501 -8.537 -9.876 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.832 -10.690 -10.102 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.120 -7.649 -12.133 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.449 -9.803 -12.361 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.096 -8.283 -13.383 1.00 0.00 H new ATOM 1395 N PHE A 89 1.264 -10.449 -5.734 1.00 0.00 N ATOM 1396 CA PHE A 89 1.001 -11.168 -4.493 1.00 0.00 C ATOM 1397 C PHE A 89 -0.021 -12.280 -4.715 1.00 0.00 C ATOM 1398 O PHE A 89 -1.005 -12.099 -5.432 1.00 0.00 O ATOM 1399 CB PHE A 89 0.497 -10.204 -3.417 1.00 0.00 C ATOM 1400 CG PHE A 89 1.342 -8.970 -3.275 1.00 0.00 C ATOM 1401 CD1 PHE A 89 2.657 -9.060 -2.848 1.00 0.00 C ATOM 1402 CD2 PHE A 89 0.822 -7.720 -3.569 1.00 0.00 C ATOM 1403 CE1 PHE A 89 3.436 -7.927 -2.716 1.00 0.00 C ATOM 1404 CE2 PHE A 89 1.596 -6.583 -3.439 1.00 0.00 C ATOM 1405 CZ PHE A 89 2.906 -6.686 -3.013 1.00 0.00 C ATOM 0 H PHE A 89 0.459 -10.373 -6.356 1.00 0.00 H new ATOM 0 HA PHE A 89 1.935 -11.619 -4.158 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.525 -9.909 -3.654 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.465 -10.725 -2.460 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.078 -10.027 -2.616 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.201 -7.633 -3.904 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.459 -8.011 -2.381 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.177 -5.615 -3.670 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.514 -5.799 -2.912 1.00 0.00 H new ATOM 1415 N SER A 90 0.221 -13.430 -4.094 1.00 0.00 N ATOM 1416 CA SER A 90 -0.675 -14.573 -4.226 1.00 0.00 C ATOM 1417 C SER A 90 -1.182 -15.026 -2.861 1.00 0.00 C ATOM 1418 O SER A 90 -0.401 -15.425 -1.997 1.00 0.00 O ATOM 1419 CB SER A 90 0.040 -15.730 -4.927 1.00 0.00 C ATOM 1420 OG SER A 90 -0.739 -16.913 -4.882 1.00 0.00 O ATOM 0 H SER A 90 1.030 -13.595 -3.495 1.00 0.00 H new ATOM 0 HA SER A 90 -1.530 -14.266 -4.828 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.241 -15.462 -5.964 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.004 -15.908 -4.451 1.00 0.00 H new ATOM 0 HG SER A 90 -1.410 -16.890 -5.596 1.00 0.00 H new ATOM 1426 N ALA A 91 -2.497 -14.961 -2.673 1.00 0.00 N ATOM 1427 CA ALA A 91 -3.110 -15.367 -1.414 1.00 0.00 C ATOM 1428 C ALA A 91 -3.479 -16.846 -1.435 1.00 0.00 C ATOM 1429 O ALA A 91 -3.948 -17.363 -2.448 1.00 0.00 O ATOM 1430 CB ALA A 91 -4.339 -14.517 -1.129 1.00 0.00 C ATOM 0 H ALA A 91 -3.158 -14.631 -3.377 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.383 -15.213 -0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.787 -14.830 -0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.049 -13.469 -1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.063 -14.642 -1.934 1.00 0.00 H new ATOM 1436 N GLU A 92 -3.263 -17.521 -0.310 1.00 0.00 N ATOM 1437 CA GLU A 92 -3.573 -18.941 -0.201 1.00 0.00 C ATOM 1438 C GLU A 92 -5.074 -19.183 -0.336 1.00 0.00 C ATOM 1439 O GLU A 92 -5.503 -20.152 -0.962 1.00 0.00 O ATOM 1440 CB GLU A 92 -3.074 -19.493 1.136 1.00 0.00 C ATOM 1441 CG GLU A 92 -1.569 -19.390 1.315 1.00 0.00 C ATOM 1442 CD GLU A 92 -1.014 -20.469 2.224 1.00 0.00 C ATOM 1443 OE1 GLU A 92 -1.349 -20.460 3.427 1.00 0.00 O ATOM 1444 OE2 GLU A 92 -0.244 -21.320 1.734 1.00 0.00 O ATOM 0 H GLU A 92 -2.875 -17.107 0.538 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.065 -19.461 -1.013 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.565 -18.955 1.947 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.371 -20.538 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.086 -19.457 0.340 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.322 -18.411 1.726 1.00 0.00 H new ATOM 1451 N SER A 93 -5.866 -18.296 0.257 1.00 0.00 N ATOM 1452 CA SER A 93 -7.318 -18.414 0.207 1.00 0.00 C ATOM 1453 C SER A 93 -7.932 -17.254 -0.570 1.00 0.00 C ATOM 1454 O SER A 93 -7.347 -16.178 -0.694 1.00 0.00 O ATOM 1455 CB SER A 93 -7.896 -18.456 1.623 1.00 0.00 C ATOM 1456 OG SER A 93 -7.888 -19.776 2.139 1.00 0.00 O ATOM 0 H SER A 93 -5.526 -17.487 0.778 1.00 0.00 H new ATOM 0 HA SER A 93 -7.564 -19.343 -0.307 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.315 -17.804 2.275 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.916 -18.072 1.614 1.00 0.00 H new ATOM 0 HG SER A 93 -8.261 -19.775 3.045 1.00 0.00 H new ATOM 1462 N PRO A 94 -9.140 -17.476 -1.108 1.00 0.00 N ATOM 1463 CA PRO A 94 -9.861 -16.462 -1.883 1.00 0.00 C ATOM 1464 C PRO A 94 -10.352 -15.309 -1.014 1.00 0.00 C ATOM 1465 O PRO A 94 -10.458 -14.174 -1.476 1.00 0.00 O ATOM 1466 CB PRO A 94 -11.046 -17.236 -2.465 1.00 0.00 C ATOM 1467 CG PRO A 94 -11.259 -18.369 -1.521 1.00 0.00 C ATOM 1468 CD PRO A 94 -9.896 -18.735 -1.001 1.00 0.00 C ATOM 0 HA PRO A 94 -9.226 -15.998 -2.638 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.933 -16.607 -2.535 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.829 -17.595 -3.471 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -11.923 -18.079 -0.706 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.725 -19.215 -2.026 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -9.941 -19.090 0.028 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -9.440 -19.529 -1.593 1.00 0.00 H new ATOM 1476 N GLU A 95 -10.648 -15.609 0.247 1.00 0.00 N ATOM 1477 CA GLU A 95 -11.128 -14.596 1.179 1.00 0.00 C ATOM 1478 C GLU A 95 -10.042 -13.564 1.468 1.00 0.00 C ATOM 1479 O GLU A 95 -10.327 -12.379 1.636 1.00 0.00 O ATOM 1480 CB GLU A 95 -11.587 -15.250 2.485 1.00 0.00 C ATOM 1481 CG GLU A 95 -10.475 -15.973 3.226 1.00 0.00 C ATOM 1482 CD GLU A 95 -10.994 -16.827 4.367 1.00 0.00 C ATOM 1483 OE1 GLU A 95 -11.922 -16.377 5.071 1.00 0.00 O ATOM 1484 OE2 GLU A 95 -10.471 -17.945 4.556 1.00 0.00 O ATOM 0 H GLU A 95 -10.564 -16.544 0.646 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.975 -14.087 0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.009 -14.485 3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.386 -15.958 2.266 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.927 -16.603 2.526 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.768 -15.241 3.617 1.00 0.00 H new ATOM 1491 N GLU A 96 -8.796 -14.025 1.526 1.00 0.00 N ATOM 1492 CA GLU A 96 -7.668 -13.142 1.796 1.00 0.00 C ATOM 1493 C GLU A 96 -7.364 -12.261 0.587 1.00 0.00 C ATOM 1494 O GLU A 96 -7.207 -11.048 0.715 1.00 0.00 O ATOM 1495 CB GLU A 96 -6.429 -13.960 2.168 1.00 0.00 C ATOM 1496 CG GLU A 96 -6.383 -14.360 3.633 1.00 0.00 C ATOM 1497 CD GLU A 96 -5.385 -15.470 3.903 1.00 0.00 C ATOM 1498 OE1 GLU A 96 -5.614 -16.603 3.431 1.00 0.00 O ATOM 1499 OE2 GLU A 96 -4.374 -15.204 4.587 1.00 0.00 O ATOM 0 H GLU A 96 -8.543 -15.004 1.390 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.936 -12.499 2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.399 -14.860 1.553 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.537 -13.381 1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.124 -13.489 4.236 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.375 -14.683 3.949 1.00 0.00 H new ATOM 1506 N GLN A 97 -7.284 -12.883 -0.585 1.00 0.00 N ATOM 1507 CA GLN A 97 -6.998 -12.156 -1.817 1.00 0.00 C ATOM 1508 C GLN A 97 -7.766 -10.839 -1.862 1.00 0.00 C ATOM 1509 O GLN A 97 -7.170 -9.763 -1.846 1.00 0.00 O ATOM 1510 CB GLN A 97 -7.356 -13.012 -3.033 1.00 0.00 C ATOM 1511 CG GLN A 97 -7.096 -12.319 -4.361 1.00 0.00 C ATOM 1512 CD GLN A 97 -8.045 -12.774 -5.452 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -9.055 -13.424 -5.181 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -7.725 -12.434 -6.696 1.00 0.00 N ATOM 0 H GLN A 97 -7.413 -13.887 -0.708 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.931 -11.934 -1.840 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.782 -13.938 -2.997 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -8.409 -13.287 -2.976 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.190 -11.241 -4.229 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.070 -12.513 -4.673 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.878 -11.895 -6.875 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.326 -12.712 -7.471 1.00 0.00 H new ATOM 1523 N GLU A 98 -9.090 -10.934 -1.919 1.00 0.00 N ATOM 1524 CA GLU A 98 -9.939 -9.749 -1.968 1.00 0.00 C ATOM 1525 C GLU A 98 -9.613 -8.799 -0.820 1.00 0.00 C ATOM 1526 O GLU A 98 -9.386 -7.608 -1.031 1.00 0.00 O ATOM 1527 CB GLU A 98 -11.415 -10.149 -1.912 1.00 0.00 C ATOM 1528 CG GLU A 98 -11.891 -10.894 -3.147 1.00 0.00 C ATOM 1529 CD GLU A 98 -13.387 -11.143 -3.137 1.00 0.00 C ATOM 1530 OE1 GLU A 98 -13.832 -12.050 -2.403 1.00 0.00 O ATOM 1531 OE2 GLU A 98 -14.112 -10.431 -3.863 1.00 0.00 O ATOM 0 H GLU A 98 -9.598 -11.818 -1.932 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.746 -9.233 -2.909 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.580 -10.774 -1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.021 -9.252 -1.783 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.628 -10.321 -4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.368 -11.848 -3.216 1.00 0.00 H new ATOM 1538 N ALA A 99 -9.593 -9.335 0.396 1.00 0.00 N ATOM 1539 CA ALA A 99 -9.294 -8.536 1.578 1.00 0.00 C ATOM 1540 C ALA A 99 -8.065 -7.662 1.354 1.00 0.00 C ATOM 1541 O ALA A 99 -8.066 -6.476 1.683 1.00 0.00 O ATOM 1542 CB ALA A 99 -9.090 -9.438 2.787 1.00 0.00 C ATOM 0 H ALA A 99 -9.780 -10.319 0.588 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.144 -7.880 1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.867 -8.828 3.663 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -9.997 -10.015 2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.259 -10.118 2.598 1.00 0.00 H new ATOM 1548 N TRP A 100 -7.017 -8.256 0.794 1.00 0.00 N ATOM 1549 CA TRP A 100 -5.780 -7.531 0.526 1.00 0.00 C ATOM 1550 C TRP A 100 -5.991 -6.473 -0.552 1.00 0.00 C ATOM 1551 O TRP A 100 -5.716 -5.292 -0.337 1.00 0.00 O ATOM 1552 CB TRP A 100 -4.678 -8.501 0.098 1.00 0.00 C ATOM 1553 CG TRP A 100 -3.945 -9.114 1.252 1.00 0.00 C ATOM 1554 CD1 TRP A 100 -4.101 -10.379 1.744 1.00 0.00 C ATOM 1555 CD2 TRP A 100 -2.942 -8.489 2.059 1.00 0.00 C ATOM 1556 NE1 TRP A 100 -3.255 -10.577 2.808 1.00 0.00 N ATOM 1557 CE2 TRP A 100 -2.533 -9.433 3.022 1.00 0.00 C ATOM 1558 CE3 TRP A 100 -2.348 -7.224 2.062 1.00 0.00 C ATOM 1559 CZ2 TRP A 100 -1.559 -9.149 3.975 1.00 0.00 C ATOM 1560 CZ3 TRP A 100 -1.382 -6.944 3.010 1.00 0.00 C ATOM 1561 CH2 TRP A 100 -0.994 -7.903 3.955 1.00 0.00 C ATOM 0 H TRP A 100 -6.999 -9.237 0.517 1.00 0.00 H new ATOM 0 HA TRP A 100 -5.476 -7.030 1.445 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -5.117 -9.294 -0.507 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.966 -7.973 -0.536 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -4.788 -11.115 1.354 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.177 -11.437 3.351 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -2.639 -6.479 1.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -1.260 -9.887 4.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.918 -5.969 3.023 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.235 -7.654 4.681 1.00 0.00 H new ATOM 1572 N ILE A 101 -6.481 -6.904 -1.709 1.00 0.00 N ATOM 1573 CA ILE A 101 -6.730 -5.993 -2.819 1.00 0.00 C ATOM 1574 C ILE A 101 -7.354 -4.690 -2.332 1.00 0.00 C ATOM 1575 O ILE A 101 -7.082 -3.620 -2.875 1.00 0.00 O ATOM 1576 CB ILE A 101 -7.655 -6.629 -3.873 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -6.917 -7.735 -4.631 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -8.166 -5.570 -4.838 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -7.800 -8.506 -5.586 1.00 0.00 C ATOM 0 H ILE A 101 -6.713 -7.878 -1.902 1.00 0.00 H new ATOM 0 HA ILE A 101 -5.763 -5.782 -3.276 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.511 -7.072 -3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.091 -7.293 -5.189 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.481 -8.428 -3.912 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.818 -6.035 -5.577 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.724 -4.814 -4.286 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.322 -5.101 -5.344 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.210 -9.273 -6.088 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.611 -8.977 -5.031 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.216 -7.824 -6.328 1.00 0.00 H new ATOM 1591 N GLN A 102 -8.190 -4.789 -1.303 1.00 0.00 N ATOM 1592 CA GLN A 102 -8.852 -3.617 -0.742 1.00 0.00 C ATOM 1593 C GLN A 102 -7.973 -2.948 0.310 1.00 0.00 C ATOM 1594 O GLN A 102 -7.731 -1.743 0.254 1.00 0.00 O ATOM 1595 CB GLN A 102 -10.195 -4.010 -0.126 1.00 0.00 C ATOM 1596 CG GLN A 102 -11.102 -4.773 -1.079 1.00 0.00 C ATOM 1597 CD GLN A 102 -12.573 -4.562 -0.780 1.00 0.00 C ATOM 1598 OE1 GLN A 102 -13.219 -3.694 -1.368 1.00 0.00 O ATOM 1599 NE2 GLN A 102 -13.110 -5.355 0.139 1.00 0.00 N ATOM 0 H GLN A 102 -8.425 -5.668 -0.841 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.025 -2.907 -1.550 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -10.015 -4.621 0.758 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -10.709 -3.109 0.209 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -10.894 -4.459 -2.102 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -10.872 -5.837 -1.020 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -12.537 -6.061 0.601 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -14.096 -5.258 0.383 1.00 0.00 H new ATOM 1608 N ALA A 103 -7.499 -3.738 1.268 1.00 0.00 N ATOM 1609 CA ALA A 103 -6.646 -3.221 2.331 1.00 0.00 C ATOM 1610 C ALA A 103 -5.513 -2.374 1.763 1.00 0.00 C ATOM 1611 O ALA A 103 -5.465 -1.163 1.976 1.00 0.00 O ATOM 1612 CB ALA A 103 -6.086 -4.367 3.161 1.00 0.00 C ATOM 0 H ALA A 103 -7.691 -4.738 1.330 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.253 -2.584 2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.451 -3.967 3.951 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.907 -4.930 3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.499 -5.026 2.522 1.00 0.00 H new ATOM 1618 N MET A 104 -4.603 -3.019 1.041 1.00 0.00 N ATOM 1619 CA MET A 104 -3.470 -2.323 0.442 1.00 0.00 C ATOM 1620 C MET A 104 -3.929 -1.408 -0.689 1.00 0.00 C ATOM 1621 O MET A 104 -3.268 -0.422 -1.010 1.00 0.00 O ATOM 1622 CB MET A 104 -2.446 -3.330 -0.085 1.00 0.00 C ATOM 1623 CG MET A 104 -2.847 -3.971 -1.404 1.00 0.00 C ATOM 1624 SD MET A 104 -1.458 -4.753 -2.246 1.00 0.00 S ATOM 1625 CE MET A 104 -0.642 -5.565 -0.874 1.00 0.00 C ATOM 0 H MET A 104 -4.628 -4.022 0.856 1.00 0.00 H new ATOM 0 HA MET A 104 -3.003 -1.711 1.214 1.00 0.00 H new ATOM 0 HB2 MET A 104 -1.487 -2.828 -0.211 1.00 0.00 H new ATOM 0 HB3 MET A 104 -2.301 -4.112 0.660 1.00 0.00 H new ATOM 0 HG2 MET A 104 -3.622 -4.715 -1.221 1.00 0.00 H new ATOM 0 HG3 MET A 104 -3.281 -3.212 -2.055 1.00 0.00 H new ATOM 0 HE1 MET A 104 0.230 -6.108 -1.239 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.325 -4.819 -0.146 1.00 0.00 H new ATOM 0 HE3 MET A 104 -1.333 -6.263 -0.401 1.00 0.00 H new ATOM 1635 N GLY A 105 -5.067 -1.743 -1.290 1.00 0.00 N ATOM 1636 CA GLY A 105 -5.595 -0.942 -2.379 1.00 0.00 C ATOM 1637 C GLY A 105 -5.930 0.472 -1.948 1.00 0.00 C ATOM 1638 O GLY A 105 -5.665 1.428 -2.677 1.00 0.00 O ATOM 0 H GLY A 105 -5.633 -2.555 -1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.866 -0.909 -3.188 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.491 -1.419 -2.776 1.00 0.00 H new ATOM 1642 N GLU A 106 -6.515 0.606 -0.762 1.00 0.00 N ATOM 1643 CA GLU A 106 -6.889 1.914 -0.238 1.00 0.00 C ATOM 1644 C GLU A 106 -5.652 2.766 0.029 1.00 0.00 C ATOM 1645 O GLU A 106 -5.632 3.960 -0.267 1.00 0.00 O ATOM 1646 CB GLU A 106 -7.703 1.760 1.048 1.00 0.00 C ATOM 1647 CG GLU A 106 -6.853 1.734 2.307 1.00 0.00 C ATOM 1648 CD GLU A 106 -7.660 1.409 3.549 1.00 0.00 C ATOM 1649 OE1 GLU A 106 -8.745 2.002 3.722 1.00 0.00 O ATOM 1650 OE2 GLU A 106 -7.207 0.563 4.348 1.00 0.00 O ATOM 0 H GLU A 106 -6.740 -0.175 -0.146 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.501 2.416 -0.988 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -8.415 2.582 1.118 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.283 0.839 0.993 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.060 0.996 2.190 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.370 2.703 2.435 1.00 0.00 H new ATOM 1657 N ALA A 107 -4.622 2.143 0.593 1.00 0.00 N ATOM 1658 CA ALA A 107 -3.381 2.843 0.900 1.00 0.00 C ATOM 1659 C ALA A 107 -2.842 3.570 -0.328 1.00 0.00 C ATOM 1660 O ALA A 107 -2.118 4.558 -0.209 1.00 0.00 O ATOM 1661 CB ALA A 107 -2.343 1.868 1.435 1.00 0.00 C ATOM 0 H ALA A 107 -4.623 1.155 0.846 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.594 3.588 1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.421 2.405 1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.720 1.398 2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.143 1.102 0.686 1.00 0.00 H new ATOM 1667 N ALA A 108 -3.201 3.074 -1.508 1.00 0.00 N ATOM 1668 CA ALA A 108 -2.754 3.677 -2.758 1.00 0.00 C ATOM 1669 C ALA A 108 -3.632 4.865 -3.138 1.00 0.00 C ATOM 1670 O ALA A 108 -3.198 5.764 -3.859 1.00 0.00 O ATOM 1671 CB ALA A 108 -2.752 2.642 -3.872 1.00 0.00 C ATOM 0 H ALA A 108 -3.800 2.257 -1.624 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.737 4.041 -2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.416 3.106 -4.799 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.078 1.826 -3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.760 2.250 -4.007 1.00 0.00 H new ATOM 1677 N ARG A 109 -4.868 4.862 -2.650 1.00 0.00 N ATOM 1678 CA ARG A 109 -5.807 5.938 -2.941 1.00 0.00 C ATOM 1679 C ARG A 109 -5.353 7.245 -2.295 1.00 0.00 C ATOM 1680 O ARG A 109 -4.699 7.240 -1.253 1.00 0.00 O ATOM 1681 CB ARG A 109 -7.207 5.571 -2.445 1.00 0.00 C ATOM 1682 CG ARG A 109 -7.477 6.000 -1.012 1.00 0.00 C ATOM 1683 CD ARG A 109 -8.484 5.082 -0.336 1.00 0.00 C ATOM 1684 NE ARG A 109 -9.195 5.753 0.749 1.00 0.00 N ATOM 1685 CZ ARG A 109 -8.710 5.877 1.979 1.00 0.00 C ATOM 1686 NH1 ARG A 109 -7.519 5.377 2.279 1.00 0.00 N ATOM 1687 NH2 ARG A 109 -9.417 6.501 2.912 1.00 0.00 N ATOM 0 H ARG A 109 -5.242 4.126 -2.051 1.00 0.00 H new ATOM 0 HA ARG A 109 -5.837 6.077 -4.022 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.947 6.032 -3.099 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -7.340 4.492 -2.524 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -6.544 5.997 -0.448 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -7.852 7.023 -1.002 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -9.202 4.726 -1.074 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -7.969 4.205 0.056 1.00 0.00 H new ATOM 0 HE ARG A 109 -10.114 6.148 0.551 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -6.973 4.896 1.564 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -7.149 5.474 3.225 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -10.334 6.886 2.685 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -9.044 6.596 3.857 1.00 0.00 H new