USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 604 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 87 LYS NZ :NH3+ 161:sc= 1.34 (180deg=0.938) USER MOD Set 1.2: A 89 HIS : no HD1:sc= 0.116 K(o=1.5,f=0.17) USER MOD Set 2.1: A 44 HIS : no HE2:sc= -0.32 K(o=-1.3,f=-3!) USER MOD Set 2.2: A 93 MET CE :methyl -157:sc= -0.94 (180deg=-2.45!) USER MOD Set 3.1: A 34 CYS SG : rot -28:sc= -0.192 USER MOD Set 3.2: A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 175:sc= 1.07 (180deg=0.974) USER MOD Single : A 21 SER OG : rot 10:sc= 0.365 USER MOD Single : A 22 CYS SG : rot 33:sc= 0.69 USER MOD Single : A 23 SER OG : rot 125:sc= 1.05 USER MOD Single : A 28 GLN : amide:sc= 0.511 K(o=0.51,f=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 32 SER OG : rot -85:sc= 0.367 USER MOD Single : A 35 THR OG1 : rot 74:sc= 0.507 USER MOD Single : A 37 HIS : no HD1:sc= -0.0663 X(o=-0.066,f=-0.51) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc=-0.00233 USER MOD Single : A 63 SER OG : rot -82:sc= 1.64 USER MOD Single : A 68 LYS NZ :NH3+ -177:sc= 1.91 (180deg=1.89) USER MOD Single : A 72 LYS NZ :NH3+ 143:sc= 2.04 (180deg=1.16) USER MOD Single : A 73 LYS NZ :NH3+ 140:sc= 1.78 (180deg=0.337) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 70:sc= 1.16 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.0586 USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 11 -11.829 -0.123 0.659 1.00 0.00 N ATOM 127 CA PHE A 11 -10.710 0.753 1.007 1.00 0.00 C ATOM 128 C PHE A 11 -9.374 0.264 0.460 1.00 0.00 C ATOM 129 O PHE A 11 -8.324 0.457 1.069 1.00 0.00 O ATOM 130 CB PHE A 11 -10.645 0.890 2.530 1.00 0.00 C ATOM 131 CG PHE A 11 -11.985 1.208 3.149 1.00 0.00 C ATOM 132 CD1 PHE A 11 -12.729 2.268 2.609 1.00 0.00 C ATOM 133 CD2 PHE A 11 -12.504 0.455 4.214 1.00 0.00 C ATOM 134 CE1 PHE A 11 -13.956 2.629 3.180 1.00 0.00 C ATOM 135 CE2 PHE A 11 -13.747 0.801 4.774 1.00 0.00 C ATOM 136 CZ PHE A 11 -14.467 1.900 4.268 1.00 0.00 C ATOM 0 HA PHE A 11 -10.890 1.722 0.542 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.264 -0.038 2.957 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -9.935 1.675 2.789 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.355 2.807 1.751 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.951 -0.387 4.602 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -14.510 3.468 2.784 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -14.149 0.223 5.593 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.409 2.182 4.714 1.00 0.00 H new ATOM 146 N VAL A 12 -9.403 -0.438 -0.665 1.00 0.00 N ATOM 147 CA VAL A 12 -8.164 -0.907 -1.273 1.00 0.00 C ATOM 148 C VAL A 12 -7.330 0.291 -1.683 1.00 0.00 C ATOM 149 O VAL A 12 -7.814 1.236 -2.313 1.00 0.00 O ATOM 150 CB VAL A 12 -8.334 -1.888 -2.442 1.00 0.00 C ATOM 151 CG1 VAL A 12 -6.960 -2.467 -2.836 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.219 -3.054 -2.008 1.00 0.00 C ATOM 0 H VAL A 12 -10.253 -0.692 -1.168 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.654 -1.495 -0.510 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.782 -1.357 -3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.083 -3.163 -3.666 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.296 -1.656 -3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.528 -2.991 -1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.338 -3.749 -2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.755 -3.570 -1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.196 -2.677 -1.707 1.00 0.00 H new ATOM 162 N VAL A 13 -6.045 0.189 -1.387 1.00 0.00 N ATOM 163 CA VAL A 13 -5.011 0.926 -2.075 1.00 0.00 C ATOM 164 C VAL A 13 -4.071 -0.032 -2.783 1.00 0.00 C ATOM 165 O VAL A 13 -3.609 -1.023 -2.228 1.00 0.00 O ATOM 166 CB VAL A 13 -4.251 1.872 -1.144 1.00 0.00 C ATOM 167 CG1 VAL A 13 -5.187 2.978 -0.662 1.00 0.00 C ATOM 168 CG2 VAL A 13 -3.572 1.213 0.060 1.00 0.00 C ATOM 0 H VAL A 13 -5.691 -0.419 -0.649 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.494 1.557 -2.821 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.435 2.269 -1.748 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.644 3.651 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.561 3.537 -1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.025 2.536 -0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.063 1.974 0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.323 0.717 0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.846 0.479 -0.289 1.00 0.00 H new ATOM 178 N LYS A 14 -3.828 0.258 -4.048 1.00 0.00 N ATOM 179 CA LYS A 14 -2.826 -0.375 -4.900 1.00 0.00 C ATOM 180 C LYS A 14 -1.501 0.302 -4.589 1.00 0.00 C ATOM 181 O LYS A 14 -1.460 1.505 -4.348 1.00 0.00 O ATOM 182 CB LYS A 14 -3.258 -0.073 -6.333 1.00 0.00 C ATOM 183 CG LYS A 14 -2.233 -0.170 -7.475 1.00 0.00 C ATOM 184 CD LYS A 14 -2.919 0.251 -8.784 1.00 0.00 C ATOM 185 CE LYS A 14 -1.951 0.334 -9.966 1.00 0.00 C ATOM 186 NZ LYS A 14 -1.804 -0.955 -10.678 1.00 0.00 N ATOM 0 H LYS A 14 -4.352 0.982 -4.540 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.728 -1.450 -4.750 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.079 -0.748 -6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.663 0.939 -6.344 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.378 0.474 -7.272 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.853 -1.188 -7.557 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.710 -0.461 -9.019 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.395 1.221 -8.643 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.303 1.092 -10.666 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.974 0.660 -9.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.205 -0.822 -11.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.363 -1.653 -10.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.741 -1.298 -10.972 1.00 0.00 H new ATOM 200 N LEU A 15 -0.416 -0.442 -4.639 1.00 0.00 N ATOM 201 CA LEU A 15 0.935 0.006 -4.370 1.00 0.00 C ATOM 202 C LEU A 15 1.810 -0.449 -5.516 1.00 0.00 C ATOM 203 O LEU A 15 1.799 -1.626 -5.870 1.00 0.00 O ATOM 204 CB LEU A 15 1.408 -0.583 -3.033 1.00 0.00 C ATOM 205 CG LEU A 15 0.541 -0.090 -1.882 1.00 0.00 C ATOM 206 CD1 LEU A 15 -0.304 -1.185 -1.255 1.00 0.00 C ATOM 207 CD2 LEU A 15 1.326 0.657 -0.836 1.00 0.00 C ATOM 0 H LEU A 15 -0.455 -1.432 -4.882 1.00 0.00 H new ATOM 0 HA LEU A 15 0.985 1.092 -4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.373 -1.671 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.447 -0.304 -2.856 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.150 0.620 -2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.897 -0.766 -0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.968 -1.608 -2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.346 -1.968 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.655 0.983 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.091 0.002 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.801 1.527 -1.290 1.00 0.00 H new ATOM 219 N ARG A 16 2.576 0.482 -6.072 1.00 0.00 N ATOM 220 CA ARG A 16 3.465 0.236 -7.213 1.00 0.00 C ATOM 221 C ARG A 16 4.837 0.854 -6.981 1.00 0.00 C ATOM 222 O ARG A 16 4.947 1.981 -6.520 1.00 0.00 O ATOM 223 CB ARG A 16 2.773 0.759 -8.481 1.00 0.00 C ATOM 224 CG ARG A 16 3.636 0.628 -9.751 1.00 0.00 C ATOM 225 CD ARG A 16 4.253 1.984 -10.095 1.00 0.00 C ATOM 226 NE ARG A 16 5.058 1.951 -11.327 1.00 0.00 N ATOM 227 CZ ARG A 16 5.339 2.991 -12.096 1.00 0.00 C ATOM 228 NH1 ARG A 16 4.864 4.185 -11.873 1.00 0.00 N ATOM 229 NH2 ARG A 16 6.122 2.850 -13.128 1.00 0.00 N ATOM 0 H ARG A 16 2.601 1.446 -5.741 1.00 0.00 H new ATOM 0 HA ARG A 16 3.646 -0.832 -7.335 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.840 0.214 -8.627 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.511 1.807 -8.336 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.422 -0.111 -9.594 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.026 0.273 -10.582 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.458 2.722 -10.206 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.880 2.313 -9.266 1.00 0.00 H new ATOM 0 HE ARG A 16 5.432 1.046 -11.613 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.247 4.348 -11.077 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.109 4.956 -12.494 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.520 1.936 -13.345 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.337 3.653 -13.719 1.00 0.00 H new ATOM 243 N GLY A 17 5.887 0.114 -7.304 1.00 0.00 N ATOM 244 CA GLY A 17 7.277 0.547 -7.182 1.00 0.00 C ATOM 245 C GLY A 17 8.128 -0.377 -6.298 1.00 0.00 C ATOM 246 O GLY A 17 9.328 -0.526 -6.537 1.00 0.00 O ATOM 0 H GLY A 17 5.796 -0.834 -7.670 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.722 0.598 -8.176 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.301 1.556 -6.769 1.00 0.00 H new ATOM 250 N LEU A 18 7.482 -0.983 -5.290 1.00 0.00 N ATOM 251 CA LEU A 18 8.025 -1.850 -4.234 1.00 0.00 C ATOM 252 C LEU A 18 9.141 -2.826 -4.671 1.00 0.00 C ATOM 253 O LEU A 18 9.187 -3.226 -5.837 1.00 0.00 O ATOM 254 CB LEU A 18 6.903 -2.641 -3.514 1.00 0.00 C ATOM 255 CG LEU A 18 5.482 -2.668 -4.113 1.00 0.00 C ATOM 256 CD1 LEU A 18 4.824 -3.997 -3.765 1.00 0.00 C ATOM 257 CD2 LEU A 18 4.569 -1.550 -3.593 1.00 0.00 C ATOM 0 H LEU A 18 6.474 -0.868 -5.184 1.00 0.00 H new ATOM 0 HA LEU A 18 8.498 -1.146 -3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.239 -3.674 -3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.822 -2.244 -2.502 1.00 0.00 H new ATOM 0 HG LEU A 18 5.601 -2.526 -5.187 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.818 -4.026 -4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.414 -4.815 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.769 -4.103 -2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.588 -1.635 -4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.465 -1.638 -2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.004 -0.581 -3.838 1.00 0.00 H new ATOM 269 N PRO A 19 10.019 -3.267 -3.746 1.00 0.00 N ATOM 270 CA PRO A 19 11.078 -4.239 -4.039 1.00 0.00 C ATOM 271 C PRO A 19 10.561 -5.564 -4.614 1.00 0.00 C ATOM 272 O PRO A 19 9.440 -5.986 -4.321 1.00 0.00 O ATOM 273 CB PRO A 19 11.801 -4.481 -2.704 1.00 0.00 C ATOM 274 CG PRO A 19 11.477 -3.233 -1.893 1.00 0.00 C ATOM 275 CD PRO A 19 10.057 -2.907 -2.334 1.00 0.00 C ATOM 0 HA PRO A 19 11.734 -3.839 -4.812 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.442 -5.384 -2.211 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.875 -4.600 -2.845 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.535 -3.420 -0.821 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.166 -2.418 -2.112 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.324 -3.474 -1.760 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.829 -1.851 -2.188 1.00 0.00 H new ATOM 283 N TRP A 20 11.422 -6.289 -5.339 1.00 0.00 N ATOM 284 CA TRP A 20 11.137 -7.616 -5.914 1.00 0.00 C ATOM 285 C TRP A 20 10.898 -8.745 -4.881 1.00 0.00 C ATOM 286 O TRP A 20 10.846 -9.922 -5.233 1.00 0.00 O ATOM 287 CB TRP A 20 12.245 -7.996 -6.901 1.00 0.00 C ATOM 288 CG TRP A 20 12.450 -7.072 -8.065 1.00 0.00 C ATOM 289 CD1 TRP A 20 13.618 -6.461 -8.337 1.00 0.00 C ATOM 290 CD2 TRP A 20 11.540 -6.677 -9.144 1.00 0.00 C ATOM 291 NE1 TRP A 20 13.525 -5.752 -9.520 1.00 0.00 N ATOM 292 CE2 TRP A 20 12.254 -5.827 -10.047 1.00 0.00 C ATOM 293 CE3 TRP A 20 10.187 -6.936 -9.456 1.00 0.00 C ATOM 294 CZ2 TRP A 20 11.658 -5.256 -11.180 1.00 0.00 C ATOM 295 CZ3 TRP A 20 9.577 -6.370 -10.595 1.00 0.00 C ATOM 296 CH2 TRP A 20 10.307 -5.527 -11.452 1.00 0.00 C ATOM 0 H TRP A 20 12.365 -5.962 -5.550 1.00 0.00 H new ATOM 0 HA TRP A 20 10.182 -7.520 -6.431 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.183 -8.065 -6.351 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.029 -8.991 -7.289 1.00 0.00 H new ATOM 0 HD1 TRP A 20 14.502 -6.517 -7.719 1.00 0.00 H new ATOM 0 HE1 TRP A 20 14.297 -5.240 -9.947 1.00 0.00 H new ATOM 0 HE3 TRP A 20 9.608 -7.580 -8.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 12.230 -4.616 -11.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 8.541 -6.586 -10.811 1.00 0.00 H new ATOM 0 HH2 TRP A 20 9.830 -5.089 -12.317 1.00 0.00 H new ATOM 307 N SER A 21 10.794 -8.428 -3.583 1.00 0.00 N ATOM 308 CA SER A 21 10.564 -9.352 -2.460 1.00 0.00 C ATOM 309 C SER A 21 9.790 -8.684 -1.299 1.00 0.00 C ATOM 310 O SER A 21 9.957 -9.054 -0.134 1.00 0.00 O ATOM 311 CB SER A 21 11.908 -9.924 -1.970 1.00 0.00 C ATOM 312 OG SER A 21 12.470 -10.805 -2.932 1.00 0.00 O ATOM 0 H SER A 21 10.873 -7.461 -3.268 1.00 0.00 H new ATOM 0 HA SER A 21 9.938 -10.167 -2.822 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.603 -9.108 -1.770 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.760 -10.454 -1.029 1.00 0.00 H new ATOM 0 HG SER A 21 11.966 -10.738 -3.770 1.00 0.00 H new ATOM 318 N CYS A 22 8.971 -7.665 -1.595 1.00 0.00 N ATOM 319 CA CYS A 22 8.163 -6.930 -0.607 1.00 0.00 C ATOM 320 C CYS A 22 7.227 -7.853 0.210 1.00 0.00 C ATOM 321 O CYS A 22 6.826 -8.925 -0.258 1.00 0.00 O ATOM 322 CB CYS A 22 7.383 -5.835 -1.352 1.00 0.00 C ATOM 323 SG CYS A 22 6.825 -4.532 -0.216 1.00 0.00 S ATOM 0 H CYS A 22 8.848 -7.320 -2.547 1.00 0.00 H new ATOM 0 HA CYS A 22 8.826 -6.479 0.131 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.014 -5.399 -2.127 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.522 -6.276 -1.853 1.00 0.00 H new ATOM 0 HG CYS A 22 7.701 -4.379 0.733 1.00 0.00 H new ATOM 329 N SER A 23 6.860 -7.431 1.422 1.00 0.00 N ATOM 330 CA SER A 23 6.009 -8.189 2.352 1.00 0.00 C ATOM 331 C SER A 23 5.010 -7.305 3.081 1.00 0.00 C ATOM 332 O SER A 23 5.004 -6.084 2.976 1.00 0.00 O ATOM 333 CB SER A 23 6.853 -8.974 3.372 1.00 0.00 C ATOM 334 OG SER A 23 7.391 -8.134 4.380 1.00 0.00 O ATOM 0 H SER A 23 7.153 -6.529 1.797 1.00 0.00 H new ATOM 0 HA SER A 23 5.445 -8.893 1.740 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.237 -9.745 3.834 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.665 -9.483 2.854 1.00 0.00 H new ATOM 0 HG SER A 23 7.130 -8.473 5.262 1.00 0.00 H new ATOM 340 N VAL A 24 4.113 -7.926 3.830 1.00 0.00 N ATOM 341 CA VAL A 24 3.073 -7.238 4.575 1.00 0.00 C ATOM 342 C VAL A 24 3.494 -6.587 5.880 1.00 0.00 C ATOM 343 O VAL A 24 2.789 -5.719 6.395 1.00 0.00 O ATOM 344 CB VAL A 24 1.856 -8.140 4.697 1.00 0.00 C ATOM 345 CG1 VAL A 24 1.918 -9.562 4.119 1.00 0.00 C ATOM 346 CG2 VAL A 24 1.247 -8.245 6.094 1.00 0.00 C ATOM 0 H VAL A 24 4.088 -8.940 3.939 1.00 0.00 H new ATOM 0 HA VAL A 24 2.808 -6.359 3.987 1.00 0.00 H new ATOM 0 HB VAL A 24 1.215 -7.559 4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.968 -10.067 4.292 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.112 -9.511 3.048 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.718 -10.118 4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.386 -8.913 6.066 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.990 -8.640 6.786 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.929 -7.257 6.428 1.00 0.00 H new ATOM 356 N GLU A 25 4.660 -6.914 6.409 1.00 0.00 N ATOM 357 CA GLU A 25 5.190 -6.116 7.502 1.00 0.00 C ATOM 358 C GLU A 25 5.751 -4.823 6.913 1.00 0.00 C ATOM 359 O GLU A 25 5.527 -3.747 7.446 1.00 0.00 O ATOM 360 CB GLU A 25 6.276 -6.904 8.229 1.00 0.00 C ATOM 361 CG GLU A 25 5.767 -8.241 8.789 1.00 0.00 C ATOM 362 CD GLU A 25 5.772 -9.410 7.780 1.00 0.00 C ATOM 363 OE1 GLU A 25 6.441 -9.338 6.720 1.00 0.00 O ATOM 364 OE2 GLU A 25 5.103 -10.441 8.053 1.00 0.00 O ATOM 0 H GLU A 25 5.241 -7.698 6.113 1.00 0.00 H new ATOM 0 HA GLU A 25 4.410 -5.877 8.224 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.102 -7.093 7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.672 -6.300 9.046 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.381 -8.517 9.646 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.750 -8.101 9.157 1.00 0.00 H new ATOM 371 N ASP A 26 6.361 -4.919 5.735 1.00 0.00 N ATOM 372 CA ASP A 26 6.779 -3.808 4.891 1.00 0.00 C ATOM 373 C ASP A 26 5.619 -2.884 4.505 1.00 0.00 C ATOM 374 O ASP A 26 5.730 -1.669 4.643 1.00 0.00 O ATOM 375 CB ASP A 26 7.333 -4.426 3.596 1.00 0.00 C ATOM 376 CG ASP A 26 8.725 -3.955 3.150 1.00 0.00 C ATOM 377 OD1 ASP A 26 9.425 -3.245 3.907 1.00 0.00 O ATOM 378 OD2 ASP A 26 9.140 -4.334 2.026 1.00 0.00 O ATOM 0 H ASP A 26 6.588 -5.824 5.323 1.00 0.00 H new ATOM 0 HA ASP A 26 7.507 -3.210 5.439 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.363 -5.508 3.721 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.629 -4.218 2.791 1.00 0.00 H new ATOM 383 N VAL A 27 4.501 -3.455 4.029 1.00 0.00 N ATOM 384 CA VAL A 27 3.335 -2.715 3.530 1.00 0.00 C ATOM 385 C VAL A 27 2.747 -1.841 4.654 1.00 0.00 C ATOM 386 O VAL A 27 2.320 -0.705 4.438 1.00 0.00 O ATOM 387 CB VAL A 27 2.331 -3.745 2.939 1.00 0.00 C ATOM 388 CG1 VAL A 27 1.244 -4.147 3.897 1.00 0.00 C ATOM 389 CG2 VAL A 27 1.736 -3.385 1.589 1.00 0.00 C ATOM 0 H VAL A 27 4.382 -4.467 3.980 1.00 0.00 H new ATOM 0 HA VAL A 27 3.605 -2.022 2.733 1.00 0.00 H new ATOM 0 HB VAL A 27 2.972 -4.609 2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.582 -4.867 3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.689 -4.600 4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.671 -3.266 4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.051 -4.171 1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.194 -2.443 1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.535 -3.282 0.855 1.00 0.00 H new ATOM 399 N GLN A 28 2.798 -2.356 5.888 1.00 0.00 N ATOM 400 CA GLN A 28 2.140 -1.779 7.056 1.00 0.00 C ATOM 401 C GLN A 28 3.080 -0.943 7.941 1.00 0.00 C ATOM 402 O GLN A 28 2.639 -0.056 8.662 1.00 0.00 O ATOM 403 CB GLN A 28 1.474 -2.934 7.809 1.00 0.00 C ATOM 404 CG GLN A 28 2.307 -3.636 8.862 1.00 0.00 C ATOM 405 CD GLN A 28 1.526 -4.762 9.535 1.00 0.00 C ATOM 406 OE1 GLN A 28 1.206 -4.726 10.717 1.00 0.00 O ATOM 407 NE2 GLN A 28 1.172 -5.792 8.800 1.00 0.00 N ATOM 0 H GLN A 28 3.314 -3.209 6.103 1.00 0.00 H new ATOM 0 HA GLN A 28 1.391 -1.055 6.737 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.573 -2.552 8.289 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.155 -3.677 7.078 1.00 0.00 H new ATOM 0 HG2 GLN A 28 3.209 -4.041 8.403 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.628 -2.915 9.614 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.434 -5.830 7.815 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.635 -6.554 9.214 1.00 0.00 H new ATOM 416 N ASN A 29 4.379 -1.210 7.855 1.00 0.00 N ATOM 417 CA ASN A 29 5.479 -0.346 8.316 1.00 0.00 C ATOM 418 C ASN A 29 5.640 0.899 7.418 1.00 0.00 C ATOM 419 O ASN A 29 5.824 2.007 7.925 1.00 0.00 O ATOM 420 CB ASN A 29 6.792 -1.156 8.343 1.00 0.00 C ATOM 421 CG ASN A 29 7.950 -0.475 9.061 1.00 0.00 C ATOM 422 OD1 ASN A 29 7.826 0.552 9.713 1.00 0.00 O ATOM 423 ND2 ASN A 29 9.126 -1.055 8.988 1.00 0.00 N ATOM 0 H ASN A 29 4.719 -2.078 7.441 1.00 0.00 H new ATOM 0 HA ASN A 29 5.240 0.003 9.321 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.600 -2.116 8.823 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.093 -1.367 7.317 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.926 -0.649 9.473 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.239 -1.912 8.447 1.00 0.00 H new ATOM 430 N PHE A 30 5.487 0.748 6.093 1.00 0.00 N ATOM 431 CA PHE A 30 5.355 1.861 5.156 1.00 0.00 C ATOM 432 C PHE A 30 4.202 2.772 5.556 1.00 0.00 C ATOM 433 O PHE A 30 4.330 3.998 5.508 1.00 0.00 O ATOM 434 CB PHE A 30 5.225 1.323 3.727 1.00 0.00 C ATOM 435 CG PHE A 30 4.830 2.369 2.722 1.00 0.00 C ATOM 436 CD1 PHE A 30 5.700 3.436 2.475 1.00 0.00 C ATOM 437 CD2 PHE A 30 3.594 2.297 2.061 1.00 0.00 C ATOM 438 CE1 PHE A 30 5.353 4.411 1.539 1.00 0.00 C ATOM 439 CE2 PHE A 30 3.216 3.317 1.170 1.00 0.00 C ATOM 440 CZ PHE A 30 4.103 4.374 0.893 1.00 0.00 C ATOM 0 H PHE A 30 5.452 -0.166 5.642 1.00 0.00 H new ATOM 0 HA PHE A 30 6.254 2.477 5.190 1.00 0.00 H new ATOM 0 HB2 PHE A 30 6.176 0.883 3.426 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.485 0.523 3.715 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.637 3.505 3.007 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.935 1.460 2.236 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.051 5.202 1.308 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.245 3.289 0.698 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.828 5.148 0.192 1.00 0.00 H new ATOM 450 N LEU A 31 3.123 2.161 6.054 1.00 0.00 N ATOM 451 CA LEU A 31 1.936 2.861 6.547 1.00 0.00 C ATOM 452 C LEU A 31 1.703 2.686 8.041 1.00 0.00 C ATOM 453 O LEU A 31 0.597 2.442 8.522 1.00 0.00 O ATOM 454 CB LEU A 31 0.766 2.515 5.674 1.00 0.00 C ATOM 455 CG LEU A 31 1.024 3.270 4.363 1.00 0.00 C ATOM 456 CD1 LEU A 31 0.439 2.376 3.342 1.00 0.00 C ATOM 457 CD2 LEU A 31 0.401 4.658 4.322 1.00 0.00 C ATOM 0 H LEU A 31 3.050 1.146 6.127 1.00 0.00 H new ATOM 0 HA LEU A 31 2.095 3.936 6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.701 1.440 5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.174 2.824 6.131 1.00 0.00 H new ATOM 0 HG LEU A 31 2.085 3.472 4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.567 2.819 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.942 1.409 3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.623 2.239 3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.626 5.130 3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.679 4.576 4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.810 5.264 5.130 1.00 0.00 H new ATOM 469 N SER A 32 2.794 2.875 8.768 1.00 0.00 N ATOM 470 CA SER A 32 2.815 3.071 10.221 1.00 0.00 C ATOM 471 C SER A 32 1.964 4.274 10.678 1.00 0.00 C ATOM 472 O SER A 32 1.593 4.375 11.848 1.00 0.00 O ATOM 473 CB SER A 32 4.261 3.170 10.716 1.00 0.00 C ATOM 474 OG SER A 32 5.036 4.071 9.945 1.00 0.00 O ATOM 0 H SER A 32 3.726 2.898 8.353 1.00 0.00 H new ATOM 0 HA SER A 32 2.350 2.197 10.678 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.264 3.492 11.757 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.721 2.182 10.686 1.00 0.00 H new ATOM 0 HG SER A 32 5.397 3.605 9.162 1.00 0.00 H new ATOM 480 N ASP A 33 1.578 5.151 9.742 1.00 0.00 N ATOM 481 CA ASP A 33 0.544 6.185 9.873 1.00 0.00 C ATOM 482 C ASP A 33 -0.865 5.626 10.154 1.00 0.00 C ATOM 483 O ASP A 33 -1.727 6.341 10.671 1.00 0.00 O ATOM 484 CB ASP A 33 0.407 6.968 8.547 1.00 0.00 C ATOM 485 CG ASP A 33 1.690 7.230 7.764 1.00 0.00 C ATOM 486 OD1 ASP A 33 2.301 6.262 7.253 1.00 0.00 O ATOM 487 OD2 ASP A 33 2.021 8.414 7.536 1.00 0.00 O ATOM 0 H ASP A 33 2.006 5.157 8.816 1.00 0.00 H new ATOM 0 HA ASP A 33 0.871 6.800 10.712 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.280 6.422 7.900 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.058 7.929 8.767 1.00 0.00 H new ATOM 492 N CYS A 34 -1.139 4.391 9.718 1.00 0.00 N ATOM 493 CA CYS A 34 -2.417 4.034 9.099 1.00 0.00 C ATOM 494 C CYS A 34 -3.052 2.767 9.692 1.00 0.00 C ATOM 495 O CYS A 34 -2.361 1.844 10.132 1.00 0.00 O ATOM 496 CB CYS A 34 -2.162 3.857 7.585 1.00 0.00 C ATOM 497 SG CYS A 34 -3.487 4.638 6.648 1.00 0.00 S ATOM 0 H CYS A 34 -0.482 3.614 9.785 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.133 4.832 9.295 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.203 4.299 7.314 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.105 2.797 7.338 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.580 4.629 7.352 1.00 0.00 H new ATOM 503 N THR A 35 -4.384 2.699 9.649 1.00 0.00 N ATOM 504 CA THR A 35 -5.170 1.508 10.011 1.00 0.00 C ATOM 505 C THR A 35 -5.454 0.691 8.756 1.00 0.00 C ATOM 506 O THR A 35 -5.964 1.215 7.765 1.00 0.00 O ATOM 507 CB THR A 35 -6.532 1.862 10.649 1.00 0.00 C ATOM 508 OG1 THR A 35 -6.503 3.084 11.356 1.00 0.00 O ATOM 509 CG2 THR A 35 -7.008 0.777 11.613 1.00 0.00 C ATOM 0 H THR A 35 -4.963 3.486 9.356 1.00 0.00 H new ATOM 0 HA THR A 35 -4.578 0.952 10.738 1.00 0.00 H new ATOM 0 HB THR A 35 -7.222 1.948 9.809 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.480 3.829 10.720 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.969 1.065 12.039 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.118 -0.165 11.075 1.00 0.00 H new ATOM 0 HG23 THR A 35 -6.278 0.655 12.413 1.00 0.00 H new ATOM 517 N ILE A 36 -5.195 -0.614 8.801 1.00 0.00 N ATOM 518 CA ILE A 36 -5.550 -1.565 7.739 1.00 0.00 C ATOM 519 C ILE A 36 -6.723 -2.424 8.228 1.00 0.00 C ATOM 520 O ILE A 36 -6.906 -2.643 9.426 1.00 0.00 O ATOM 521 CB ILE A 36 -4.350 -2.515 7.433 1.00 0.00 C ATOM 522 CG1 ILE A 36 -2.909 -1.961 7.557 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.494 -3.237 6.085 1.00 0.00 C ATOM 524 CD1 ILE A 36 -2.450 -0.853 6.602 1.00 0.00 C ATOM 0 H ILE A 36 -4.723 -1.053 9.591 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.812 -1.010 6.838 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.444 -3.206 8.271 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.787 -1.589 8.574 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.223 -2.800 7.440 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.631 -3.884 5.925 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.403 -3.839 6.090 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.550 -2.502 5.282 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.418 -0.583 6.827 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.517 -1.208 5.574 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.089 0.022 6.726 1.00 0.00 H new ATOM 536 N HIS A 37 -7.491 -2.955 7.286 1.00 0.00 N ATOM 537 CA HIS A 37 -8.563 -3.911 7.528 1.00 0.00 C ATOM 538 C HIS A 37 -8.001 -5.333 7.433 1.00 0.00 C ATOM 539 O HIS A 37 -7.541 -5.752 6.379 1.00 0.00 O ATOM 540 CB HIS A 37 -9.645 -3.607 6.492 1.00 0.00 C ATOM 541 CG HIS A 37 -10.620 -4.696 6.147 1.00 0.00 C ATOM 542 ND1 HIS A 37 -11.103 -5.666 6.990 1.00 0.00 N ATOM 543 CD2 HIS A 37 -11.285 -4.826 4.956 1.00 0.00 C ATOM 544 CE1 HIS A 37 -12.026 -6.364 6.325 1.00 0.00 C ATOM 545 NE2 HIS A 37 -12.169 -5.908 5.070 1.00 0.00 N ATOM 0 H HIS A 37 -7.381 -2.724 6.299 1.00 0.00 H new ATOM 0 HA HIS A 37 -8.997 -3.831 8.524 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.216 -2.749 6.848 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -9.148 -3.300 5.571 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -11.152 -4.204 4.083 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -12.585 -7.188 6.742 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -12.792 -6.273 4.349 1.00 0.00 H new ATOM 553 N ASP A 38 -7.993 -6.057 8.557 1.00 0.00 N ATOM 554 CA ASP A 38 -7.512 -7.444 8.726 1.00 0.00 C ATOM 555 C ASP A 38 -5.972 -7.590 8.729 1.00 0.00 C ATOM 556 O ASP A 38 -5.454 -8.670 9.018 1.00 0.00 O ATOM 557 CB ASP A 38 -8.208 -8.424 7.755 1.00 0.00 C ATOM 558 CG ASP A 38 -9.731 -8.545 7.934 1.00 0.00 C ATOM 559 OD1 ASP A 38 -10.299 -8.065 8.943 1.00 0.00 O ATOM 560 OD2 ASP A 38 -10.377 -9.135 7.034 1.00 0.00 O ATOM 0 H ASP A 38 -8.344 -5.670 9.433 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.811 -7.730 9.734 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -8.002 -8.107 6.733 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.763 -9.411 7.878 1.00 0.00 H new ATOM 565 N GLY A 39 -5.232 -6.501 8.483 1.00 0.00 N ATOM 566 CA GLY A 39 -3.836 -6.272 8.901 1.00 0.00 C ATOM 567 C GLY A 39 -2.761 -6.999 8.084 1.00 0.00 C ATOM 568 O GLY A 39 -1.864 -6.372 7.519 1.00 0.00 O ATOM 0 H GLY A 39 -5.608 -5.711 7.959 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.636 -5.202 8.857 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.736 -6.572 9.944 1.00 0.00 H new ATOM 572 N ALA A 40 -2.897 -8.316 7.971 1.00 0.00 N ATOM 573 CA ALA A 40 -2.110 -9.217 7.124 1.00 0.00 C ATOM 574 C ALA A 40 -2.995 -10.221 6.355 1.00 0.00 C ATOM 575 O ALA A 40 -2.522 -10.916 5.456 1.00 0.00 O ATOM 576 CB ALA A 40 -1.096 -9.937 8.027 1.00 0.00 C ATOM 0 H ALA A 40 -3.607 -8.820 8.503 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.593 -8.638 6.358 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.492 -10.617 7.426 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.448 -9.202 8.504 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.628 -10.503 8.792 1.00 0.00 H new ATOM 582 N ALA A 41 -4.302 -10.214 6.637 1.00 0.00 N ATOM 583 CA ALA A 41 -5.368 -10.738 5.787 1.00 0.00 C ATOM 584 C ALA A 41 -6.106 -9.590 5.054 1.00 0.00 C ATOM 585 O ALA A 41 -7.258 -9.748 4.651 1.00 0.00 O ATOM 586 CB ALA A 41 -6.258 -11.636 6.656 1.00 0.00 C ATOM 0 H ALA A 41 -4.659 -9.822 7.508 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.977 -11.355 4.978 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.066 -12.044 6.049 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.663 -12.453 7.064 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.678 -11.050 7.473 1.00 0.00 H new ATOM 592 N GLY A 42 -5.446 -8.431 4.881 1.00 0.00 N ATOM 593 CA GLY A 42 -5.950 -7.256 4.156 1.00 0.00 C ATOM 594 C GLY A 42 -5.097 -6.907 2.940 1.00 0.00 C ATOM 595 O GLY A 42 -5.436 -6.035 2.160 1.00 0.00 O ATOM 0 H GLY A 42 -4.510 -8.284 5.258 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.975 -7.444 3.835 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.979 -6.401 4.832 1.00 0.00 H new ATOM 599 N VAL A 43 -3.958 -7.566 2.787 1.00 0.00 N ATOM 600 CA VAL A 43 -2.783 -7.154 2.047 1.00 0.00 C ATOM 601 C VAL A 43 -2.385 -8.303 1.117 1.00 0.00 C ATOM 602 O VAL A 43 -2.479 -9.482 1.474 1.00 0.00 O ATOM 603 CB VAL A 43 -1.705 -6.843 3.100 1.00 0.00 C ATOM 604 CG1 VAL A 43 -2.095 -5.815 4.167 1.00 0.00 C ATOM 605 CG2 VAL A 43 -1.233 -8.068 3.789 1.00 0.00 C ATOM 0 H VAL A 43 -3.825 -8.482 3.216 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.941 -6.273 1.425 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.909 -6.396 2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.263 -5.672 4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.336 -4.866 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.965 -6.174 4.718 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.473 -7.802 4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.072 -8.548 4.292 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.807 -8.755 3.058 1.00 0.00 H new ATOM 615 N HIS A 44 -1.984 -7.970 -0.101 1.00 0.00 N ATOM 616 CA HIS A 44 -1.878 -8.930 -1.189 1.00 0.00 C ATOM 617 C HIS A 44 -0.770 -8.500 -2.130 1.00 0.00 C ATOM 618 O HIS A 44 -0.689 -7.334 -2.510 1.00 0.00 O ATOM 619 CB HIS A 44 -3.189 -8.991 -1.986 1.00 0.00 C ATOM 620 CG HIS A 44 -4.462 -8.741 -1.222 1.00 0.00 C ATOM 621 ND1 HIS A 44 -4.940 -7.496 -0.904 1.00 0.00 N ATOM 622 CD2 HIS A 44 -5.383 -9.657 -0.788 1.00 0.00 C ATOM 623 CE1 HIS A 44 -6.118 -7.647 -0.292 1.00 0.00 C ATOM 624 NE2 HIS A 44 -6.436 -8.951 -0.187 1.00 0.00 N ATOM 0 H HIS A 44 -1.721 -7.020 -0.364 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.666 -9.911 -0.764 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.129 -8.262 -2.794 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.259 -9.975 -2.449 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.477 -6.609 -1.100 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.312 -10.730 -0.890 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.731 -6.834 0.069 1.00 0.00 H new ATOM 632 N PHE A 45 0.048 -9.451 -2.549 1.00 0.00 N ATOM 633 CA PHE A 45 1.202 -9.181 -3.392 1.00 0.00 C ATOM 634 C PHE A 45 0.979 -9.781 -4.769 1.00 0.00 C ATOM 635 O PHE A 45 0.298 -10.797 -4.928 1.00 0.00 O ATOM 636 CB PHE A 45 2.464 -9.675 -2.682 1.00 0.00 C ATOM 637 CG PHE A 45 2.790 -8.769 -1.512 1.00 0.00 C ATOM 638 CD1 PHE A 45 2.092 -8.911 -0.295 1.00 0.00 C ATOM 639 CD2 PHE A 45 3.646 -7.669 -1.706 1.00 0.00 C ATOM 640 CE1 PHE A 45 2.195 -7.921 0.692 1.00 0.00 C ATOM 641 CE2 PHE A 45 3.766 -6.692 -0.705 1.00 0.00 C ATOM 642 CZ PHE A 45 3.028 -6.815 0.481 1.00 0.00 C ATOM 0 H PHE A 45 -0.070 -10.436 -2.313 1.00 0.00 H new ATOM 0 HA PHE A 45 1.339 -8.112 -3.554 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.317 -10.697 -2.331 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.300 -9.695 -3.381 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.478 -9.783 -0.123 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.209 -7.577 -2.623 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.635 -8.011 1.611 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.425 -5.848 -0.848 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.103 -6.049 1.239 1.00 0.00 H new ATOM 652 N ILE A 46 1.532 -9.109 -5.772 1.00 0.00 N ATOM 653 CA ILE A 46 1.488 -9.557 -7.163 1.00 0.00 C ATOM 654 C ILE A 46 2.834 -10.160 -7.494 1.00 0.00 C ATOM 655 O ILE A 46 3.868 -9.848 -6.906 1.00 0.00 O ATOM 656 CB ILE A 46 1.083 -8.403 -8.113 1.00 0.00 C ATOM 657 CG1 ILE A 46 -0.122 -7.598 -7.532 1.00 0.00 C ATOM 658 CG2 ILE A 46 0.875 -8.907 -9.563 1.00 0.00 C ATOM 659 CD1 ILE A 46 -1.317 -7.402 -8.458 1.00 0.00 C ATOM 0 H ILE A 46 2.029 -8.228 -5.643 1.00 0.00 H new ATOM 0 HA ILE A 46 0.720 -10.318 -7.302 1.00 0.00 H new ATOM 0 HB ILE A 46 1.908 -7.693 -8.176 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.468 -8.104 -6.631 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.239 -6.616 -7.227 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.592 -8.071 -10.202 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.801 -9.347 -9.932 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.085 -9.658 -9.577 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.087 -6.829 -7.942 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.001 -6.862 -9.351 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.718 -8.374 -8.745 1.00 0.00 H new ATOM 671 N TYR A 47 2.767 -11.106 -8.409 1.00 0.00 N ATOM 672 CA TYR A 47 3.678 -12.216 -8.508 1.00 0.00 C ATOM 673 C TYR A 47 3.901 -12.463 -9.995 1.00 0.00 C ATOM 674 O TYR A 47 2.945 -12.702 -10.734 1.00 0.00 O ATOM 675 CB TYR A 47 3.003 -13.391 -7.781 1.00 0.00 C ATOM 676 CG TYR A 47 3.220 -13.418 -6.276 1.00 0.00 C ATOM 677 CD1 TYR A 47 4.503 -13.664 -5.752 1.00 0.00 C ATOM 678 CD2 TYR A 47 2.138 -13.214 -5.399 1.00 0.00 C ATOM 679 CE1 TYR A 47 4.714 -13.663 -4.359 1.00 0.00 C ATOM 680 CE2 TYR A 47 2.342 -13.210 -4.004 1.00 0.00 C ATOM 681 CZ TYR A 47 3.637 -13.422 -3.481 1.00 0.00 C ATOM 682 OH TYR A 47 3.852 -13.406 -2.136 1.00 0.00 O ATOM 0 H TYR A 47 2.046 -11.118 -9.130 1.00 0.00 H new ATOM 0 HA TYR A 47 4.654 -12.053 -8.050 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.932 -13.356 -7.979 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.375 -14.324 -8.205 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.329 -13.854 -6.421 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.146 -13.060 -5.797 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.702 -13.847 -3.963 1.00 0.00 H new ATOM 0 HE2 TYR A 47 1.509 -13.045 -3.336 1.00 0.00 H new ATOM 0 HH TYR A 47 3.008 -13.225 -1.672 1.00 0.00 H new ATOM 793 N SER A 54 6.387 -9.088 -7.867 1.00 0.00 N ATOM 794 CA SER A 54 6.530 -7.877 -8.664 1.00 0.00 C ATOM 795 C SER A 54 6.747 -6.674 -7.735 1.00 0.00 C ATOM 796 O SER A 54 6.522 -6.751 -6.525 1.00 0.00 O ATOM 797 CB SER A 54 5.258 -7.683 -9.502 1.00 0.00 C ATOM 798 OG SER A 54 5.472 -6.679 -10.479 1.00 0.00 O ATOM 0 HA SER A 54 7.390 -7.963 -9.328 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.984 -8.621 -9.986 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.426 -7.403 -8.856 1.00 0.00 H new ATOM 0 HG SER A 54 4.657 -6.561 -11.011 1.00 0.00 H new ATOM 804 N GLY A 55 7.074 -5.520 -8.311 1.00 0.00 N ATOM 805 CA GLY A 55 6.910 -4.224 -7.642 1.00 0.00 C ATOM 806 C GLY A 55 5.482 -3.698 -7.767 1.00 0.00 C ATOM 807 O GLY A 55 5.283 -2.516 -8.031 1.00 0.00 O ATOM 0 H GLY A 55 7.460 -5.453 -9.253 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.170 -4.324 -6.588 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.603 -3.502 -8.074 1.00 0.00 H new ATOM 811 N GLU A 56 4.485 -4.563 -7.579 1.00 0.00 N ATOM 812 CA GLU A 56 3.090 -4.186 -7.364 1.00 0.00 C ATOM 813 C GLU A 56 2.412 -5.082 -6.317 1.00 0.00 C ATOM 814 O GLU A 56 2.721 -6.269 -6.179 1.00 0.00 O ATOM 815 CB GLU A 56 2.280 -4.180 -8.677 1.00 0.00 C ATOM 816 CG GLU A 56 2.088 -2.750 -9.203 1.00 0.00 C ATOM 817 CD GLU A 56 0.937 -2.630 -10.211 1.00 0.00 C ATOM 818 OE1 GLU A 56 -0.205 -3.050 -9.899 1.00 0.00 O ATOM 819 OE2 GLU A 56 1.118 -2.020 -11.290 1.00 0.00 O ATOM 0 H GLU A 56 4.631 -5.573 -7.572 1.00 0.00 H new ATOM 0 HA GLU A 56 3.104 -3.166 -6.979 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.794 -4.781 -9.427 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.307 -4.643 -8.510 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.898 -2.082 -8.363 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.012 -2.415 -9.674 1.00 0.00 H new ATOM 826 N ALA A 57 1.480 -4.484 -5.573 1.00 0.00 N ATOM 827 CA ALA A 57 0.699 -5.096 -4.503 1.00 0.00 C ATOM 828 C ALA A 57 -0.551 -4.249 -4.198 1.00 0.00 C ATOM 829 O ALA A 57 -0.719 -3.166 -4.748 1.00 0.00 O ATOM 830 CB ALA A 57 1.614 -5.211 -3.285 1.00 0.00 C ATOM 0 H ALA A 57 1.238 -3.503 -5.711 1.00 0.00 H new ATOM 0 HA ALA A 57 0.342 -6.084 -4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.066 -5.666 -2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.475 -5.831 -3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.955 -4.218 -2.991 1.00 0.00 H new ATOM 836 N PHE A 58 -1.449 -4.733 -3.343 1.00 0.00 N ATOM 837 CA PHE A 58 -2.756 -4.121 -3.035 1.00 0.00 C ATOM 838 C PHE A 58 -3.113 -4.371 -1.554 1.00 0.00 C ATOM 839 O PHE A 58 -2.854 -5.454 -1.024 1.00 0.00 O ATOM 840 CB PHE A 58 -3.814 -4.766 -3.937 1.00 0.00 C ATOM 841 CG PHE A 58 -3.767 -4.307 -5.390 1.00 0.00 C ATOM 842 CD1 PHE A 58 -2.782 -4.824 -6.253 1.00 0.00 C ATOM 843 CD2 PHE A 58 -4.653 -3.328 -5.881 1.00 0.00 C ATOM 844 CE1 PHE A 58 -2.613 -4.298 -7.546 1.00 0.00 C ATOM 845 CE2 PHE A 58 -4.575 -2.916 -7.224 1.00 0.00 C ATOM 846 CZ PHE A 58 -3.531 -3.365 -8.043 1.00 0.00 C ATOM 0 H PHE A 58 -1.288 -5.595 -2.822 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.717 -3.046 -3.210 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.689 -5.848 -3.906 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.802 -4.548 -3.531 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.150 -5.633 -5.918 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.393 -2.893 -5.226 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.778 -4.613 -8.154 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.324 -2.250 -7.626 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.435 -2.993 -9.052 1.00 0.00 H new ATOM 856 N VAL A 59 -3.758 -3.427 -0.862 1.00 0.00 N ATOM 857 CA VAL A 59 -4.019 -3.422 0.593 1.00 0.00 C ATOM 858 C VAL A 59 -5.395 -2.809 0.877 1.00 0.00 C ATOM 859 O VAL A 59 -5.593 -1.616 0.676 1.00 0.00 O ATOM 860 CB VAL A 59 -2.951 -2.573 1.317 1.00 0.00 C ATOM 861 CG1 VAL A 59 -3.307 -2.261 2.778 1.00 0.00 C ATOM 862 CG2 VAL A 59 -1.624 -3.330 1.325 1.00 0.00 C ATOM 0 H VAL A 59 -4.135 -2.598 -1.321 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.987 -4.451 0.952 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.890 -1.631 0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.514 -1.662 3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.245 -1.706 2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.415 -3.193 3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.868 -2.733 1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.750 -4.279 1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.306 -3.518 0.299 1.00 0.00 H new ATOM 872 N GLU A 60 -6.350 -3.590 1.369 1.00 0.00 N ATOM 873 CA GLU A 60 -7.595 -3.120 1.991 1.00 0.00 C ATOM 874 C GLU A 60 -7.299 -2.353 3.290 1.00 0.00 C ATOM 875 O GLU A 60 -6.989 -2.954 4.320 1.00 0.00 O ATOM 876 CB GLU A 60 -8.490 -4.320 2.333 1.00 0.00 C ATOM 877 CG GLU A 60 -9.047 -5.063 1.112 1.00 0.00 C ATOM 878 CD GLU A 60 -9.681 -6.408 1.490 1.00 0.00 C ATOM 879 OE1 GLU A 60 -9.224 -7.059 2.457 1.00 0.00 O ATOM 880 OE2 GLU A 60 -10.619 -6.859 0.794 1.00 0.00 O ATOM 0 H GLU A 60 -6.281 -4.607 1.348 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.097 -2.459 1.284 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.919 -5.022 2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.324 -3.974 2.944 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.791 -4.439 0.618 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.244 -5.231 0.394 1.00 0.00 H new ATOM 887 N LEU A 61 -7.391 -1.023 3.270 1.00 0.00 N ATOM 888 CA LEU A 61 -7.272 -0.226 4.499 1.00 0.00 C ATOM 889 C LEU A 61 -8.509 -0.321 5.400 1.00 0.00 C ATOM 890 O LEU A 61 -9.542 -0.873 5.032 1.00 0.00 O ATOM 891 CB LEU A 61 -6.882 1.232 4.210 1.00 0.00 C ATOM 892 CG LEU A 61 -5.422 1.376 3.809 1.00 0.00 C ATOM 893 CD1 LEU A 61 -5.050 2.541 2.947 1.00 0.00 C ATOM 894 CD2 LEU A 61 -4.446 1.327 4.976 1.00 0.00 C ATOM 0 H LEU A 61 -7.546 -0.475 2.424 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.453 -0.671 5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.515 1.623 3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.074 1.838 5.095 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.326 0.485 3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.980 2.515 2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.601 2.489 2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.298 3.469 3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.428 1.437 4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.668 2.138 5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.543 0.371 5.491 1.00 0.00 H new ATOM 906 N GLY A 62 -8.402 0.204 6.616 1.00 0.00 N ATOM 907 CA GLY A 62 -9.430 0.073 7.645 1.00 0.00 C ATOM 908 C GLY A 62 -10.536 1.144 7.597 1.00 0.00 C ATOM 909 O GLY A 62 -11.554 1.000 8.276 1.00 0.00 O ATOM 0 H GLY A 62 -7.589 0.740 6.920 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.892 -0.910 7.553 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.951 0.110 8.623 1.00 0.00 H new ATOM 913 N SER A 63 -10.380 2.159 6.741 1.00 0.00 N ATOM 914 CA SER A 63 -11.399 3.133 6.320 1.00 0.00 C ATOM 915 C SER A 63 -10.928 3.886 5.061 1.00 0.00 C ATOM 916 O SER A 63 -9.778 3.737 4.647 1.00 0.00 O ATOM 917 CB SER A 63 -11.698 4.116 7.458 1.00 0.00 C ATOM 918 OG SER A 63 -10.626 5.014 7.662 1.00 0.00 O ATOM 0 H SER A 63 -9.481 2.336 6.293 1.00 0.00 H new ATOM 0 HA SER A 63 -12.318 2.598 6.078 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.604 4.676 7.228 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.890 3.563 8.377 1.00 0.00 H new ATOM 0 HG SER A 63 -9.943 4.586 8.219 1.00 0.00 H new ATOM 924 N GLU A 64 -11.755 4.733 4.442 1.00 0.00 N ATOM 925 CA GLU A 64 -11.301 5.599 3.333 1.00 0.00 C ATOM 926 C GLU A 64 -10.590 6.870 3.820 1.00 0.00 C ATOM 927 O GLU A 64 -9.969 7.577 3.033 1.00 0.00 O ATOM 928 CB GLU A 64 -12.449 5.924 2.370 1.00 0.00 C ATOM 929 CG GLU A 64 -11.956 5.915 0.906 1.00 0.00 C ATOM 930 CD GLU A 64 -13.085 5.652 -0.106 1.00 0.00 C ATOM 931 OE1 GLU A 64 -14.092 6.399 -0.118 1.00 0.00 O ATOM 932 OE2 GLU A 64 -12.944 4.703 -0.920 1.00 0.00 O ATOM 0 H GLU A 64 -12.740 4.843 4.683 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.555 5.028 2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -13.250 5.195 2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -12.867 6.901 2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.488 6.873 0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.187 5.151 0.792 1.00 0.00 H new ATOM 939 N ASP A 65 -10.629 7.193 5.110 1.00 0.00 N ATOM 940 CA ASP A 65 -9.680 8.123 5.711 1.00 0.00 C ATOM 941 C ASP A 65 -8.306 7.457 5.905 1.00 0.00 C ATOM 942 O ASP A 65 -7.287 8.108 5.700 1.00 0.00 O ATOM 943 CB ASP A 65 -10.286 8.622 7.019 1.00 0.00 C ATOM 944 CG ASP A 65 -11.503 9.536 6.797 1.00 0.00 C ATOM 945 OD1 ASP A 65 -11.573 10.237 5.752 1.00 0.00 O ATOM 946 OD2 ASP A 65 -12.406 9.564 7.667 1.00 0.00 O ATOM 0 H ASP A 65 -11.316 6.819 5.765 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.502 8.976 5.056 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.584 7.767 7.626 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.527 9.164 7.583 1.00 0.00 H new ATOM 951 N ASP A 66 -8.249 6.145 6.171 1.00 0.00 N ATOM 952 CA ASP A 66 -7.035 5.341 5.971 1.00 0.00 C ATOM 953 C ASP A 66 -6.574 5.368 4.518 1.00 0.00 C ATOM 954 O ASP A 66 -5.408 5.691 4.297 1.00 0.00 O ATOM 955 CB ASP A 66 -7.143 3.959 6.599 1.00 0.00 C ATOM 956 CG ASP A 66 -7.356 4.080 8.112 1.00 0.00 C ATOM 957 OD1 ASP A 66 -6.407 4.491 8.823 1.00 0.00 O ATOM 958 OD2 ASP A 66 -8.475 3.779 8.589 1.00 0.00 O ATOM 0 H ASP A 66 -9.041 5.612 6.530 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.222 5.811 6.524 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.972 3.412 6.150 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.237 3.388 6.397 1.00 0.00 H new ATOM 963 N VAL A 67 -7.446 5.170 3.516 1.00 0.00 N ATOM 964 CA VAL A 67 -6.995 5.278 2.126 1.00 0.00 C ATOM 965 C VAL A 67 -6.328 6.616 1.834 1.00 0.00 C ATOM 966 O VAL A 67 -5.200 6.640 1.363 1.00 0.00 O ATOM 967 CB VAL A 67 -8.064 4.956 1.079 1.00 0.00 C ATOM 968 CG1 VAL A 67 -8.787 3.644 1.316 1.00 0.00 C ATOM 969 CG2 VAL A 67 -8.757 6.079 0.300 1.00 0.00 C ATOM 0 H VAL A 67 -8.433 4.942 3.638 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.245 4.493 2.030 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.454 4.749 0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.528 3.490 0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.068 2.825 1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.286 3.673 2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.480 5.649 -0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.271 6.741 0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.013 6.647 -0.259 1.00 0.00 H new ATOM 979 N LYS A 68 -6.974 7.722 2.206 1.00 0.00 N ATOM 980 CA LYS A 68 -6.456 9.096 2.182 1.00 0.00 C ATOM 981 C LYS A 68 -5.110 9.269 2.907 1.00 0.00 C ATOM 982 O LYS A 68 -4.203 9.898 2.365 1.00 0.00 O ATOM 983 CB LYS A 68 -7.536 9.985 2.808 1.00 0.00 C ATOM 984 CG LYS A 68 -8.672 10.360 1.848 1.00 0.00 C ATOM 985 CD LYS A 68 -9.644 11.337 2.537 1.00 0.00 C ATOM 986 CE LYS A 68 -11.110 11.077 2.174 1.00 0.00 C ATOM 987 NZ LYS A 68 -11.655 9.932 2.946 1.00 0.00 N ATOM 0 H LYS A 68 -7.932 7.683 2.554 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.246 9.376 1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.959 9.471 3.671 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.070 10.899 3.177 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.262 10.817 0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.206 9.463 1.535 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.524 11.259 3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.382 12.358 2.259 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.702 11.970 2.375 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.193 10.873 1.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.633 9.744 2.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.072 9.088 2.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.643 10.160 3.961 1.00 0.00 H new ATOM 1001 N MET A 69 -4.941 8.679 4.091 1.00 0.00 N ATOM 1002 CA MET A 69 -3.668 8.652 4.837 1.00 0.00 C ATOM 1003 C MET A 69 -2.561 7.830 4.169 1.00 0.00 C ATOM 1004 O MET A 69 -1.379 8.053 4.438 1.00 0.00 O ATOM 1005 CB MET A 69 -3.913 8.143 6.259 1.00 0.00 C ATOM 1006 CG MET A 69 -4.613 9.226 7.078 1.00 0.00 C ATOM 1007 SD MET A 69 -3.879 9.545 8.702 1.00 0.00 S ATOM 1008 CE MET A 69 -4.347 7.984 9.496 1.00 0.00 C ATOM 0 H MET A 69 -5.697 8.194 4.574 1.00 0.00 H new ATOM 0 HA MET A 69 -3.305 9.680 4.852 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.524 7.241 6.233 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.967 7.873 6.728 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.610 10.153 6.505 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.656 8.940 7.216 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.984 7.975 10.524 1.00 0.00 H new ATOM 0 HE2 MET A 69 -5.433 7.886 9.494 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.906 7.151 8.948 1.00 0.00 H new ATOM 1018 N ALA A 70 -2.943 6.934 3.270 1.00 0.00 N ATOM 1019 CA ALA A 70 -2.048 6.255 2.331 1.00 0.00 C ATOM 1020 C ALA A 70 -1.824 7.041 1.015 1.00 0.00 C ATOM 1021 O ALA A 70 -0.702 7.083 0.513 1.00 0.00 O ATOM 1022 CB ALA A 70 -2.553 4.820 2.119 1.00 0.00 C ATOM 0 H ALA A 70 -3.916 6.647 3.167 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.049 6.209 2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.895 4.302 1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.559 4.292 3.072 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.564 4.846 1.713 1.00 0.00 H new ATOM 1028 N LEU A 71 -2.826 7.757 0.492 1.00 0.00 N ATOM 1029 CA LEU A 71 -2.694 8.673 -0.650 1.00 0.00 C ATOM 1030 C LEU A 71 -1.817 9.896 -0.351 1.00 0.00 C ATOM 1031 O LEU A 71 -1.179 10.419 -1.259 1.00 0.00 O ATOM 1032 CB LEU A 71 -4.058 9.186 -1.139 1.00 0.00 C ATOM 1033 CG LEU A 71 -5.129 8.157 -1.538 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -6.188 8.854 -2.385 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -4.606 6.928 -2.280 1.00 0.00 C ATOM 0 H LEU A 71 -3.776 7.715 0.860 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.214 8.073 -1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.478 9.813 -0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.881 9.831 -2.000 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.540 7.773 -0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.954 8.134 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.645 9.658 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.723 9.269 -3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.438 6.264 -2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.118 7.241 -3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.889 6.401 -1.651 1.00 0.00 H new ATOM 1047 N LYS A 72 -1.720 10.361 0.900 1.00 0.00 N ATOM 1048 CA LYS A 72 -0.727 11.393 1.263 1.00 0.00 C ATOM 1049 C LYS A 72 0.735 10.918 1.105 1.00 0.00 C ATOM 1050 O LYS A 72 1.650 11.740 1.023 1.00 0.00 O ATOM 1051 CB LYS A 72 -1.076 12.053 2.601 1.00 0.00 C ATOM 1052 CG LYS A 72 -0.451 11.268 3.732 1.00 0.00 C ATOM 1053 CD LYS A 72 -0.854 11.772 5.124 1.00 0.00 C ATOM 1054 CE LYS A 72 0.063 11.179 6.202 1.00 0.00 C ATOM 1055 NZ LYS A 72 -0.181 9.736 6.431 1.00 0.00 N ATOM 0 H LYS A 72 -2.307 10.047 1.673 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.792 12.196 0.529 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.715 13.081 2.616 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.158 12.093 2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.736 10.220 3.637 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.634 11.313 3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.800 12.860 5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.889 11.499 5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.103 11.325 5.909 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.084 11.721 7.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.723 9.256 6.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.812 9.616 7.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.626 9.321 5.587 1.00 0.00 H new ATOM 1069 N LYS A 73 0.937 9.595 1.028 1.00 0.00 N ATOM 1070 CA LYS A 73 2.209 8.890 0.775 1.00 0.00 C ATOM 1071 C LYS A 73 2.347 8.403 -0.674 1.00 0.00 C ATOM 1072 O LYS A 73 3.231 7.602 -0.963 1.00 0.00 O ATOM 1073 CB LYS A 73 2.363 7.707 1.760 1.00 0.00 C ATOM 1074 CG LYS A 73 2.239 8.041 3.257 1.00 0.00 C ATOM 1075 CD LYS A 73 3.500 8.590 3.938 1.00 0.00 C ATOM 1076 CE LYS A 73 4.515 7.462 4.206 1.00 0.00 C ATOM 1077 NZ LYS A 73 4.350 6.836 5.539 1.00 0.00 N ATOM 0 H LYS A 73 0.164 8.940 1.149 1.00 0.00 H new ATOM 0 HA LYS A 73 3.011 9.611 0.937 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.611 6.958 1.514 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.337 7.248 1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.439 8.771 3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.931 7.138 3.785 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.956 9.353 3.307 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.230 9.073 4.877 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.411 6.697 3.437 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.525 7.863 4.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.484 5.808 5.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.055 7.227 6.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.395 7.033 5.899 1.00 0.00 H new ATOM 1091 N ASP A 74 1.503 8.877 -1.593 1.00 0.00 N ATOM 1092 CA ASP A 74 1.348 8.370 -2.964 1.00 0.00 C ATOM 1093 C ASP A 74 2.556 8.311 -3.906 1.00 0.00 C ATOM 1094 O ASP A 74 2.373 7.904 -5.047 1.00 0.00 O ATOM 1095 CB ASP A 74 0.236 9.118 -3.707 1.00 0.00 C ATOM 1096 CG ASP A 74 0.616 10.572 -4.054 1.00 0.00 C ATOM 1097 OD1 ASP A 74 1.031 11.359 -3.165 1.00 0.00 O ATOM 1098 OD2 ASP A 74 0.556 10.937 -5.250 1.00 0.00 O ATOM 0 H ASP A 74 0.880 9.660 -1.396 1.00 0.00 H new ATOM 0 HA ASP A 74 1.127 7.325 -2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.004 8.582 -4.625 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.665 9.120 -3.094 1.00 0.00 H new ATOM 1103 N ARG A 75 3.754 8.708 -3.483 1.00 0.00 N ATOM 1104 CA ARG A 75 5.025 8.612 -4.211 1.00 0.00 C ATOM 1105 C ARG A 75 6.237 8.639 -3.261 1.00 0.00 C ATOM 1106 O ARG A 75 7.330 9.073 -3.624 1.00 0.00 O ATOM 1107 CB ARG A 75 5.016 9.696 -5.315 1.00 0.00 C ATOM 1108 CG ARG A 75 4.802 9.050 -6.693 1.00 0.00 C ATOM 1109 CD ARG A 75 4.054 9.937 -7.700 1.00 0.00 C ATOM 1110 NE ARG A 75 2.604 10.024 -7.403 1.00 0.00 N ATOM 1111 CZ ARG A 75 1.588 9.656 -8.164 1.00 0.00 C ATOM 1112 NH1 ARG A 75 1.724 9.021 -9.293 1.00 0.00 N ATOM 1113 NH2 ARG A 75 0.376 9.931 -7.788 1.00 0.00 N ATOM 0 H ARG A 75 3.875 9.133 -2.564 1.00 0.00 H new ATOM 0 HA ARG A 75 5.130 7.645 -4.704 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.225 10.419 -5.118 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.958 10.244 -5.305 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.773 8.785 -7.111 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.247 8.121 -6.563 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.486 10.938 -7.690 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.194 9.539 -8.705 1.00 0.00 H new ATOM 0 HE ARG A 75 2.359 10.418 -6.495 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.655 8.781 -9.634 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.900 8.764 -9.836 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.214 10.427 -6.912 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.414 9.651 -8.369 1.00 0.00 H new ATOM 1127 N GLU A 76 6.029 8.167 -2.029 1.00 0.00 N ATOM 1128 CA GLU A 76 7.080 7.843 -1.057 1.00 0.00 C ATOM 1129 C GLU A 76 7.950 6.641 -1.502 1.00 0.00 C ATOM 1130 O GLU A 76 7.867 6.147 -2.627 1.00 0.00 O ATOM 1131 CB GLU A 76 6.425 7.536 0.301 1.00 0.00 C ATOM 1132 CG GLU A 76 5.927 8.710 1.127 1.00 0.00 C ATOM 1133 CD GLU A 76 7.020 9.613 1.745 1.00 0.00 C ATOM 1134 OE1 GLU A 76 8.151 9.706 1.212 1.00 0.00 O ATOM 1135 OE2 GLU A 76 6.750 10.229 2.804 1.00 0.00 O ATOM 0 H GLU A 76 5.091 7.993 -1.667 1.00 0.00 H new ATOM 0 HA GLU A 76 7.743 8.705 -0.981 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.581 6.869 0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.146 6.984 0.904 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.287 9.327 0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.304 8.324 1.933 1.00 0.00 H new ATOM 1142 N SER A 77 8.760 6.135 -0.572 1.00 0.00 N ATOM 1143 CA SER A 77 9.553 4.901 -0.676 1.00 0.00 C ATOM 1144 C SER A 77 9.529 4.065 0.619 1.00 0.00 C ATOM 1145 O SER A 77 9.235 4.582 1.701 1.00 0.00 O ATOM 1146 CB SER A 77 11.000 5.237 -1.078 1.00 0.00 C ATOM 1147 OG SER A 77 11.645 6.051 -0.114 1.00 0.00 O ATOM 0 H SER A 77 8.891 6.599 0.327 1.00 0.00 H new ATOM 0 HA SER A 77 9.093 4.287 -1.450 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.564 4.313 -1.208 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.999 5.748 -2.041 1.00 0.00 H new ATOM 0 HG SER A 77 12.561 6.240 -0.406 1.00 0.00 H new ATOM 1194 N ARG A 81 13.124 1.267 -2.281 1.00 0.00 N ATOM 1195 CA ARG A 81 12.319 1.310 -3.523 1.00 0.00 C ATOM 1196 C ARG A 81 11.057 2.153 -3.349 1.00 0.00 C ATOM 1197 O ARG A 81 10.552 2.308 -2.240 1.00 0.00 O ATOM 1198 CB ARG A 81 11.930 -0.146 -3.830 1.00 0.00 C ATOM 1199 CG ARG A 81 13.038 -0.957 -4.532 1.00 0.00 C ATOM 1200 CD ARG A 81 12.968 -0.831 -6.060 1.00 0.00 C ATOM 1201 NE ARG A 81 11.939 -1.717 -6.645 1.00 0.00 N ATOM 1202 CZ ARG A 81 12.132 -2.798 -7.377 1.00 0.00 C ATOM 1203 NH1 ARG A 81 13.319 -3.228 -7.690 1.00 0.00 N ATOM 1204 NH2 ARG A 81 11.120 -3.497 -7.791 1.00 0.00 N ATOM 0 HA ARG A 81 12.893 1.764 -4.330 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.664 -0.645 -2.898 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.039 -0.148 -4.458 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.013 -0.614 -4.185 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.951 -2.007 -4.251 1.00 0.00 H new ATOM 0 HD2 ARG A 81 12.751 0.203 -6.328 1.00 0.00 H new ATOM 0 HD3 ARG A 81 13.941 -1.074 -6.488 1.00 0.00 H new ATOM 0 HE ARG A 81 10.968 -1.464 -6.462 1.00 0.00 H new ATOM 0 HH11 ARG A 81 14.145 -2.725 -7.367 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.423 -4.069 -8.258 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.171 -3.212 -7.551 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.274 -4.332 -8.357 1.00 0.00 H new ATOM 1218 N TYR A 82 10.546 2.693 -4.450 1.00 0.00 N ATOM 1219 CA TYR A 82 9.389 3.599 -4.443 1.00 0.00 C ATOM 1220 C TYR A 82 8.069 2.875 -4.164 1.00 0.00 C ATOM 1221 O TYR A 82 7.904 1.699 -4.476 1.00 0.00 O ATOM 1222 CB TYR A 82 9.312 4.400 -5.753 1.00 0.00 C ATOM 1223 CG TYR A 82 10.366 5.487 -5.850 1.00 0.00 C ATOM 1224 CD1 TYR A 82 10.142 6.729 -5.222 1.00 0.00 C ATOM 1225 CD2 TYR A 82 11.572 5.259 -6.541 1.00 0.00 C ATOM 1226 CE1 TYR A 82 11.121 7.739 -5.273 1.00 0.00 C ATOM 1227 CE2 TYR A 82 12.556 6.268 -6.596 1.00 0.00 C ATOM 1228 CZ TYR A 82 12.335 7.510 -5.960 1.00 0.00 C ATOM 1229 OH TYR A 82 13.292 8.477 -6.013 1.00 0.00 O ATOM 0 H TYR A 82 10.921 2.517 -5.382 1.00 0.00 H new ATOM 0 HA TYR A 82 9.542 4.294 -3.618 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.424 3.718 -6.596 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.324 4.852 -5.838 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.214 6.907 -4.699 1.00 0.00 H new ATOM 0 HD2 TYR A 82 11.743 4.311 -7.029 1.00 0.00 H new ATOM 0 HE1 TYR A 82 10.945 8.688 -4.788 1.00 0.00 H new ATOM 0 HE2 TYR A 82 13.480 6.091 -7.125 1.00 0.00 H new ATOM 0 HH TYR A 82 14.061 8.149 -6.525 1.00 0.00 H new ATOM 1239 N ILE A 83 7.110 3.595 -3.589 1.00 0.00 N ATOM 1240 CA ILE A 83 5.802 3.070 -3.198 1.00 0.00 C ATOM 1241 C ILE A 83 4.722 4.087 -3.595 1.00 0.00 C ATOM 1242 O ILE A 83 4.206 4.860 -2.788 1.00 0.00 O ATOM 1243 CB ILE A 83 5.759 2.695 -1.700 1.00 0.00 C ATOM 1244 CG1 ILE A 83 6.972 1.921 -1.146 1.00 0.00 C ATOM 1245 CG2 ILE A 83 4.479 1.888 -1.459 1.00 0.00 C ATOM 1246 CD1 ILE A 83 7.141 0.480 -1.631 1.00 0.00 C ATOM 0 H ILE A 83 7.222 4.586 -3.376 1.00 0.00 H new ATOM 0 HA ILE A 83 5.607 2.138 -3.729 1.00 0.00 H new ATOM 0 HB ILE A 83 5.784 3.639 -1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 83 7.876 2.475 -1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.901 1.909 -0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.419 1.607 -0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.612 2.493 -1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.495 0.989 -2.075 1.00 0.00 H new ATOM 0 HD11 ILE A 83 8.028 0.043 -1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 83 6.263 -0.103 -1.352 1.00 0.00 H new ATOM 0 HD13 ILE A 83 7.253 0.472 -2.715 1.00 0.00 H new ATOM 1258 N GLU A 84 4.425 4.130 -4.889 1.00 0.00 N ATOM 1259 CA GLU A 84 3.321 4.891 -5.460 1.00 0.00 C ATOM 1260 C GLU A 84 1.982 4.258 -5.073 1.00 0.00 C ATOM 1261 O GLU A 84 1.674 3.130 -5.465 1.00 0.00 O ATOM 1262 CB GLU A 84 3.542 4.941 -6.975 1.00 0.00 C ATOM 1263 CG GLU A 84 2.593 5.836 -7.753 1.00 0.00 C ATOM 1264 CD GLU A 84 3.098 5.998 -9.199 1.00 0.00 C ATOM 1265 OE1 GLU A 84 2.992 5.045 -10.006 1.00 0.00 O ATOM 1266 OE2 GLU A 84 3.642 7.078 -9.540 1.00 0.00 O ATOM 0 H GLU A 84 4.962 3.621 -5.590 1.00 0.00 H new ATOM 0 HA GLU A 84 3.290 5.909 -5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.562 5.275 -7.163 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.460 3.928 -7.369 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.591 5.406 -7.754 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.521 6.811 -7.272 1.00 0.00 H new ATOM 1273 N VAL A 85 1.199 4.977 -4.269 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.090 4.499 -3.733 1.00 0.00 C ATOM 1275 C VAL A 85 -1.232 5.046 -4.577 1.00 0.00 C ATOM 1276 O VAL A 85 -1.390 6.257 -4.736 1.00 0.00 O ATOM 1277 CB VAL A 85 -0.357 4.858 -2.253 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -1.492 3.956 -1.741 1.00 0.00 C ATOM 1279 CG2 VAL A 85 0.875 4.646 -1.371 1.00 0.00 C ATOM 0 H VAL A 85 1.439 5.920 -3.964 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.031 3.412 -3.780 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.621 5.914 -2.200 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.700 4.190 -0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.389 4.126 -2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.193 2.911 -1.826 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.636 4.912 -0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.178 3.600 -1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.691 5.275 -1.728 1.00 0.00 H new ATOM 1289 N PHE A 86 -2.063 4.139 -5.068 1.00 0.00 N ATOM 1290 CA PHE A 86 -3.298 4.424 -5.781 1.00 0.00 C ATOM 1291 C PHE A 86 -4.479 3.986 -4.934 1.00 0.00 C ATOM 1292 O PHE A 86 -4.439 2.978 -4.242 1.00 0.00 O ATOM 1293 CB PHE A 86 -3.258 3.599 -7.062 1.00 0.00 C ATOM 1294 CG PHE A 86 -2.271 4.020 -8.133 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -0.945 3.546 -8.075 1.00 0.00 C ATOM 1296 CD2 PHE A 86 -2.676 4.840 -9.202 1.00 0.00 C ATOM 1297 CE1 PHE A 86 -0.022 3.900 -9.074 1.00 0.00 C ATOM 1298 CE2 PHE A 86 -1.752 5.190 -10.206 1.00 0.00 C ATOM 1299 CZ PHE A 86 -0.427 4.721 -10.140 1.00 0.00 C ATOM 0 H PHE A 86 -1.886 3.139 -4.976 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.399 5.488 -5.997 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.040 2.566 -6.791 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.256 3.610 -7.501 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.637 2.908 -7.260 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.693 5.200 -9.253 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.996 3.542 -9.022 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.061 5.819 -11.028 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.280 4.993 -10.910 1.00 0.00 H new ATOM 1309 N LYS A 87 -5.567 4.727 -5.054 1.00 0.00 N ATOM 1310 CA LYS A 87 -6.898 4.389 -4.572 1.00 0.00 C ATOM 1311 C LYS A 87 -7.468 3.370 -5.548 1.00 0.00 C ATOM 1312 O LYS A 87 -7.412 3.549 -6.767 1.00 0.00 O ATOM 1313 CB LYS A 87 -7.696 5.692 -4.531 1.00 0.00 C ATOM 1314 CG LYS A 87 -8.867 5.759 -3.545 1.00 0.00 C ATOM 1315 CD LYS A 87 -10.089 4.852 -3.766 1.00 0.00 C ATOM 1316 CE LYS A 87 -10.093 3.656 -2.803 1.00 0.00 C ATOM 1317 NZ LYS A 87 -11.451 3.063 -2.657 1.00 0.00 N ATOM 0 H LYS A 87 -5.545 5.635 -5.518 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.917 3.951 -3.574 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.008 6.504 -4.295 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.084 5.883 -5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.473 5.541 -2.552 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.222 6.789 -3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.002 5.432 -3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.092 4.491 -4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.402 2.895 -3.167 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.730 3.976 -1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.370 2.098 -2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.016 3.645 -2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.917 3.031 -3.586 1.00 0.00 H new ATOM 1331 N SER A 88 -7.961 2.279 -4.996 1.00 0.00 N ATOM 1332 CA SER A 88 -8.256 1.042 -5.706 1.00 0.00 C ATOM 1333 C SER A 88 -9.598 0.489 -5.232 1.00 0.00 C ATOM 1334 O SER A 88 -10.240 1.074 -4.360 1.00 0.00 O ATOM 1335 CB SER A 88 -7.113 0.072 -5.424 1.00 0.00 C ATOM 1336 OG SER A 88 -7.184 -1.067 -6.253 1.00 0.00 O ATOM 0 H SER A 88 -8.177 2.224 -4.001 1.00 0.00 H new ATOM 0 HA SER A 88 -8.336 1.205 -6.781 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.160 0.577 -5.579 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.145 -0.235 -4.379 1.00 0.00 H new ATOM 0 HG SER A 88 -6.969 -0.814 -7.175 1.00 0.00 H new ATOM 1342 N HIS A 89 -10.030 -0.646 -5.766 1.00 0.00 N ATOM 1343 CA HIS A 89 -11.201 -1.353 -5.260 1.00 0.00 C ATOM 1344 C HIS A 89 -11.003 -2.863 -5.332 1.00 0.00 C ATOM 1345 O HIS A 89 -10.105 -3.337 -6.037 1.00 0.00 O ATOM 1346 CB HIS A 89 -12.451 -0.910 -6.042 1.00 0.00 C ATOM 1347 CG HIS A 89 -13.218 0.154 -5.308 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -14.116 -0.077 -4.295 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -13.078 1.509 -5.433 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -14.504 1.111 -3.803 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -13.890 2.114 -4.464 1.00 0.00 N ATOM 0 H HIS A 89 -9.581 -1.102 -6.560 1.00 0.00 H new ATOM 0 HA HIS A 89 -11.342 -1.099 -4.209 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.154 -0.534 -7.021 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -13.097 -1.771 -6.214 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.453 2.021 -6.150 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -15.207 1.244 -2.994 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.996 3.114 -4.293 1.00 0.00 H new ATOM 1359 N ARG A 90 -11.859 -3.641 -4.649 1.00 0.00 N ATOM 1360 CA ARG A 90 -11.838 -5.099 -4.821 1.00 0.00 C ATOM 1361 C ARG A 90 -12.050 -5.498 -6.283 1.00 0.00 C ATOM 1362 O ARG A 90 -11.410 -6.445 -6.714 1.00 0.00 O ATOM 1363 CB ARG A 90 -12.816 -5.828 -3.889 1.00 0.00 C ATOM 1364 CG ARG A 90 -12.304 -5.955 -2.440 1.00 0.00 C ATOM 1365 CD ARG A 90 -12.773 -7.265 -1.785 1.00 0.00 C ATOM 1366 NE ARG A 90 -12.187 -8.450 -2.446 1.00 0.00 N ATOM 1367 CZ ARG A 90 -11.168 -9.194 -2.059 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -10.497 -8.957 -0.970 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -10.774 -10.202 -2.782 1.00 0.00 N ATOM 0 H ARG A 90 -12.556 -3.295 -3.990 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.840 -5.424 -4.529 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.767 -5.296 -3.885 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.010 -6.824 -4.286 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.215 -5.914 -2.434 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.658 -5.107 -1.853 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.497 -7.263 -0.731 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -13.860 -7.325 -1.830 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.631 -8.731 -3.320 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -10.752 -8.168 -0.375 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.716 -9.560 -0.711 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.254 -10.422 -3.655 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.986 -10.772 -2.476 1.00 0.00 H new ATOM 1383 N THR A 91 -12.814 -4.749 -7.080 1.00 0.00 N ATOM 1384 CA THR A 91 -13.008 -5.053 -8.512 1.00 0.00 C ATOM 1385 C THR A 91 -11.718 -5.085 -9.310 1.00 0.00 C ATOM 1386 O THR A 91 -11.501 -6.006 -10.100 1.00 0.00 O ATOM 1387 CB THR A 91 -13.940 -4.052 -9.225 1.00 0.00 C ATOM 1388 OG1 THR A 91 -14.137 -2.845 -8.516 1.00 0.00 O ATOM 1389 CG2 THR A 91 -15.286 -4.687 -9.509 1.00 0.00 C ATOM 0 H THR A 91 -13.315 -3.920 -6.761 1.00 0.00 H new ATOM 0 HA THR A 91 -13.457 -6.046 -8.490 1.00 0.00 H new ATOM 0 HB THR A 91 -13.433 -3.795 -10.155 1.00 0.00 H new ATOM 0 HG1 THR A 91 -14.735 -2.260 -9.026 1.00 0.00 H new ATOM 0 HG21 THR A 91 -15.930 -3.966 -10.012 1.00 0.00 H new ATOM 0 HG22 THR A 91 -15.149 -5.559 -10.148 1.00 0.00 H new ATOM 0 HG23 THR A 91 -15.749 -4.994 -8.571 1.00 0.00 H new ATOM 1397 N GLU A 92 -10.844 -4.099 -9.104 1.00 0.00 N ATOM 1398 CA GLU A 92 -9.520 -4.110 -9.716 1.00 0.00 C ATOM 1399 C GLU A 92 -8.659 -5.206 -9.079 1.00 0.00 C ATOM 1400 O GLU A 92 -8.044 -6.009 -9.774 1.00 0.00 O ATOM 1401 CB GLU A 92 -8.861 -2.729 -9.533 1.00 0.00 C ATOM 1402 CG GLU A 92 -7.434 -2.649 -10.100 1.00 0.00 C ATOM 1403 CD GLU A 92 -6.800 -1.261 -9.940 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -7.044 -0.571 -8.910 1.00 0.00 O ATOM 1405 OE2 GLU A 92 -6.021 -0.844 -10.826 1.00 0.00 O ATOM 0 H GLU A 92 -11.031 -3.285 -8.519 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.611 -4.320 -10.782 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.479 -1.973 -10.018 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.835 -2.486 -8.471 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -6.808 -3.388 -9.599 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -7.454 -2.913 -11.157 1.00 0.00 H new ATOM 1412 N MET A 93 -8.638 -5.272 -7.749 1.00 0.00 N ATOM 1413 CA MET A 93 -7.759 -6.173 -7.015 1.00 0.00 C ATOM 1414 C MET A 93 -8.001 -7.666 -7.321 1.00 0.00 C ATOM 1415 O MET A 93 -7.068 -8.442 -7.525 1.00 0.00 O ATOM 1416 CB MET A 93 -7.926 -5.889 -5.532 1.00 0.00 C ATOM 1417 CG MET A 93 -6.784 -6.549 -4.769 1.00 0.00 C ATOM 1418 SD MET A 93 -7.278 -7.959 -3.752 1.00 0.00 S ATOM 1419 CE MET A 93 -8.354 -7.075 -2.596 1.00 0.00 C ATOM 0 H MET A 93 -9.233 -4.699 -7.151 1.00 0.00 H new ATOM 0 HA MET A 93 -6.735 -5.982 -7.338 1.00 0.00 H new ATOM 0 HB2 MET A 93 -7.927 -4.814 -5.352 1.00 0.00 H new ATOM 0 HB3 MET A 93 -8.884 -6.272 -5.181 1.00 0.00 H new ATOM 0 HG2 MET A 93 -6.030 -6.879 -5.483 1.00 0.00 H new ATOM 0 HG3 MET A 93 -6.313 -5.803 -4.129 1.00 0.00 H new ATOM 0 HE1 MET A 93 -8.438 -7.643 -1.670 1.00 0.00 H new ATOM 0 HE2 MET A 93 -7.930 -6.094 -2.382 1.00 0.00 H new ATOM 0 HE3 MET A 93 -9.343 -6.955 -3.039 1.00 0.00 H new ATOM 1429 N ASP A 94 -9.267 -8.067 -7.406 1.00 0.00 N ATOM 1430 CA ASP A 94 -9.673 -9.452 -7.656 1.00 0.00 C ATOM 1431 C ASP A 94 -9.307 -9.906 -9.082 1.00 0.00 C ATOM 1432 O ASP A 94 -9.063 -11.090 -9.316 1.00 0.00 O ATOM 1433 CB ASP A 94 -11.186 -9.644 -7.409 1.00 0.00 C ATOM 1434 CG ASP A 94 -11.461 -10.962 -6.680 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -11.308 -11.013 -5.436 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -11.809 -11.964 -7.354 1.00 0.00 O ATOM 0 H ASP A 94 -10.056 -7.429 -7.301 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.123 -10.076 -6.951 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.570 -8.811 -6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.718 -9.633 -8.361 1.00 0.00 H new ATOM 1441 N TRP A 95 -9.235 -8.961 -10.029 1.00 0.00 N ATOM 1442 CA TRP A 95 -8.655 -9.149 -11.360 1.00 0.00 C ATOM 1443 C TRP A 95 -7.140 -9.346 -11.245 1.00 0.00 C ATOM 1444 O TRP A 95 -6.623 -10.392 -11.634 1.00 0.00 O ATOM 1445 CB TRP A 95 -9.035 -7.936 -12.245 1.00 0.00 C ATOM 1446 CG TRP A 95 -8.112 -7.503 -13.357 1.00 0.00 C ATOM 1447 CD1 TRP A 95 -7.849 -6.211 -13.663 1.00 0.00 C ATOM 1448 CD2 TRP A 95 -7.347 -8.291 -14.329 1.00 0.00 C ATOM 1449 NE1 TRP A 95 -6.994 -6.143 -14.746 1.00 0.00 N ATOM 1450 CE2 TRP A 95 -6.665 -7.396 -15.210 1.00 0.00 C ATOM 1451 CE3 TRP A 95 -7.145 -9.668 -14.560 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 -5.866 -7.843 -16.274 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 -6.351 -10.132 -15.625 1.00 0.00 C ATOM 1454 CH2 TRP A 95 -5.728 -9.223 -16.496 1.00 0.00 C ATOM 0 H TRP A 95 -9.591 -8.016 -9.883 1.00 0.00 H new ATOM 0 HA TRP A 95 -9.053 -10.047 -11.833 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -10.005 -8.151 -12.693 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -9.171 -7.080 -11.584 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -8.249 -5.357 -13.137 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -6.650 -5.273 -15.151 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -7.612 -10.385 -13.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -5.363 -7.134 -16.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -6.220 -11.194 -15.774 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.146 -9.583 -17.332 1.00 0.00 H new ATOM 1465 N VAL A 96 -6.409 -8.379 -10.692 1.00 0.00 N ATOM 1466 CA VAL A 96 -4.950 -8.307 -10.883 1.00 0.00 C ATOM 1467 C VAL A 96 -4.155 -9.404 -10.154 1.00 0.00 C ATOM 1468 O VAL A 96 -3.082 -9.787 -10.616 1.00 0.00 O ATOM 1469 CB VAL A 96 -4.411 -6.917 -10.504 1.00 0.00 C ATOM 1470 CG1 VAL A 96 -5.032 -5.816 -11.360 1.00 0.00 C ATOM 1471 CG2 VAL A 96 -4.692 -6.597 -9.046 1.00 0.00 C ATOM 0 H VAL A 96 -6.795 -7.635 -10.110 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.796 -8.484 -11.947 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.336 -6.949 -10.678 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.625 -4.850 -11.061 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.802 -5.998 -12.410 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.113 -5.813 -11.221 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.299 -5.608 -8.808 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.768 -6.612 -8.871 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.211 -7.341 -8.411 1.00 0.00 H new ATOM 1481 N LEU A 97 -4.676 -9.954 -9.048 1.00 0.00 N ATOM 1482 CA LEU A 97 -4.149 -11.146 -8.371 1.00 0.00 C ATOM 1483 C LEU A 97 -4.458 -12.469 -9.114 1.00 0.00 C ATOM 1484 O LEU A 97 -3.863 -13.501 -8.794 1.00 0.00 O ATOM 1485 CB LEU A 97 -4.764 -11.196 -6.962 1.00 0.00 C ATOM 1486 CG LEU A 97 -4.092 -10.319 -5.886 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -3.929 -8.841 -6.204 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -4.936 -10.455 -4.617 1.00 0.00 C ATOM 0 H LEU A 97 -5.500 -9.570 -8.587 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.063 -11.061 -8.343 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.811 -10.902 -7.036 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.747 -12.230 -6.619 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.069 -10.684 -5.796 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.444 -8.340 -5.366 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.317 -8.727 -7.099 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.909 -8.395 -6.375 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.499 -9.850 -3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.951 -10.113 -4.817 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.960 -11.499 -4.306 1.00 0.00 H new