USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 812 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 THR OG1 : rot 180:sc= 0.383 USER MOD Set 1.2: A 101 SER OG : rot 78:sc= 0.25 USER MOD Set 2.1: A 38 GLN : amide:sc= -0.0044 K(o=-0.12,f=-0.92) USER MOD Set 2.2: A 40 ASN : amide:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -155:sc= -0.124 (180deg=-0.636) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.588 K(o=-0.59,f=-2.9) USER MOD Single : A 23 THR OG1 : rot 88:sc= 0.0482 USER MOD Single : A 24 LYS NZ :NH3+ -175:sc=-0.00251 (180deg=-0.0497) USER MOD Single : A 30 LYS NZ :NH3+ -111:sc= -0.0157 (180deg=-0.148) USER MOD Single : A 31 GLN : amide:sc= 0.57 K(o=0.57,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -131:sc= 1.19 (180deg=-0.169) USER MOD Single : A 50 CYS SG : rot -125:sc= 1.32 USER MOD Single : A 53 TYR OH : rot 150:sc= -0.192 USER MOD Single : A 54 TYR OH : rot -15:sc= 0.467 USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0279) USER MOD Single : A 58 LYS NZ :NH3+ 169:sc= -0.0013 (180deg=-0.0956) USER MOD Single : A 61 SER OG : rot 29:sc= 0.216 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 79 SER OG : rot -52:sc= 0.333 USER MOD Single : A 81 ASN : amide:sc= -1.08! C(o=-1.1!,f=-1.2!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= -2.63! C(o=-2.6!,f=-4.2!) USER MOD Single : A 89 LYS NZ :NH3+ -143:sc= 1.02 (180deg=-1.53!) USER MOD Single : A 92 HIS : no HD1:sc= -6.65! C(o=-6.7!,f=-8!) USER MOD Single : A 97 THR OG1 : rot -170:sc= -0.875 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.3 K(o=-0.3,f=-3!) USER MOD Single : A 113 GLN : amide:sc= -0.0713 K(o=-0.071,f=-1.1) USER MOD Single : A 115 MET CE :methyl -178:sc= -0.371 (180deg=-0.382) USER MOD ----------------------------------------------------------------- ATOM 176 N LYS A 15 -11.988 4.086 -6.400 1.00 0.00 N ATOM 177 CA LYS A 15 -12.720 2.909 -5.951 1.00 0.00 C ATOM 178 C LYS A 15 -12.151 1.641 -6.579 1.00 0.00 C ATOM 179 O LYS A 15 -11.195 1.696 -7.354 1.00 0.00 O ATOM 180 CB LYS A 15 -14.204 3.041 -6.301 1.00 0.00 C ATOM 181 CG LYS A 15 -14.507 2.798 -7.769 1.00 0.00 C ATOM 182 CD LYS A 15 -14.423 4.083 -8.576 1.00 0.00 C ATOM 183 CE LYS A 15 -15.684 4.920 -8.425 1.00 0.00 C ATOM 184 NZ LYS A 15 -16.886 4.210 -8.944 1.00 0.00 N ATOM 0 HA LYS A 15 -12.613 2.837 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.775 2.334 -5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.545 4.040 -6.029 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.804 2.068 -8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.504 2.369 -7.869 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.559 4.663 -8.250 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.268 3.844 -9.628 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.833 5.166 -7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.560 5.863 -8.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.608 4.906 -9.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.621 3.638 -9.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.270 3.589 -8.203 1.00 0.00 H new ATOM 198 N ARG A 16 -12.744 0.500 -6.242 1.00 0.00 N ATOM 199 CA ARG A 16 -12.295 -0.781 -6.773 1.00 0.00 C ATOM 200 C ARG A 16 -13.394 -1.442 -7.600 1.00 0.00 C ATOM 201 O ARG A 16 -14.563 -1.434 -7.215 1.00 0.00 O ATOM 202 CB ARG A 16 -11.870 -1.709 -5.634 1.00 0.00 C ATOM 203 CG ARG A 16 -11.599 -3.137 -6.080 1.00 0.00 C ATOM 204 CD ARG A 16 -10.144 -3.330 -6.476 1.00 0.00 C ATOM 205 NE ARG A 16 -9.839 -4.726 -6.777 1.00 0.00 N ATOM 206 CZ ARG A 16 -9.752 -5.675 -5.851 1.00 0.00 C ATOM 207 NH1 ARG A 16 -9.947 -5.379 -4.573 1.00 0.00 N ATOM 208 NH2 ARG A 16 -9.471 -6.923 -6.203 1.00 0.00 N ATOM 0 H ARG A 16 -13.537 0.437 -5.603 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.438 -0.597 -7.421 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.972 -1.307 -5.165 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.650 -1.717 -4.873 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.852 -3.825 -5.274 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.243 -3.384 -6.924 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.921 -2.714 -7.347 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.499 -2.984 -5.668 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.684 -4.987 -7.751 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.164 -4.421 -4.299 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.880 -6.109 -3.864 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.322 -7.155 -7.185 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.404 -7.651 -5.492 1.00 0.00 H new ATOM 222 N ASN A 17 -13.010 -2.012 -8.737 1.00 0.00 N ATOM 223 CA ASN A 17 -13.964 -2.677 -9.618 1.00 0.00 C ATOM 224 C ASN A 17 -13.712 -4.181 -9.657 1.00 0.00 C ATOM 225 O ASN A 17 -12.572 -4.644 -9.699 1.00 0.00 O ATOM 226 CB ASN A 17 -13.873 -2.097 -11.032 1.00 0.00 C ATOM 227 CG ASN A 17 -14.282 -0.638 -11.085 1.00 0.00 C ATOM 228 OD1 ASN A 17 -15.450 -0.317 -11.307 1.00 0.00 O ATOM 229 ND2 ASN A 17 -13.320 0.254 -10.882 1.00 0.00 N ATOM 0 H ASN A 17 -12.046 -2.027 -9.070 1.00 0.00 H new ATOM 0 HA ASN A 17 -14.966 -2.505 -9.224 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.852 -2.199 -11.399 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -14.511 -2.675 -11.701 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.535 1.251 -10.907 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.366 -0.057 -10.701 1.00 0.00 H new ATOM 236 N PRO A 18 -14.801 -4.964 -9.642 1.00 0.00 N ATOM 237 CA PRO A 18 -14.725 -6.427 -9.675 1.00 0.00 C ATOM 238 C PRO A 18 -14.246 -6.952 -11.025 1.00 0.00 C ATOM 239 O PRO A 18 -13.554 -7.967 -11.096 1.00 0.00 O ATOM 240 CB PRO A 18 -16.169 -6.864 -9.414 1.00 0.00 C ATOM 241 CG PRO A 18 -17.001 -5.716 -9.872 1.00 0.00 C ATOM 242 CD PRO A 18 -16.191 -4.480 -9.592 1.00 0.00 C ATOM 0 HA PRO A 18 -14.010 -6.814 -8.949 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.413 -7.773 -9.963 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.334 -7.076 -8.358 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -17.231 -5.800 -10.934 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.953 -5.687 -9.341 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.373 -3.704 -10.335 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.433 -4.053 -8.619 1.00 0.00 H new ATOM 250 N ASN A 19 -14.619 -6.254 -12.092 1.00 0.00 N ATOM 251 CA ASN A 19 -14.227 -6.650 -13.440 1.00 0.00 C ATOM 252 C ASN A 19 -12.712 -6.592 -13.605 1.00 0.00 C ATOM 253 O ASN A 19 -12.112 -7.461 -14.236 1.00 0.00 O ATOM 254 CB ASN A 19 -14.899 -5.746 -14.475 1.00 0.00 C ATOM 255 CG ASN A 19 -15.040 -4.317 -13.990 1.00 0.00 C ATOM 256 OD1 ASN A 19 -14.055 -3.587 -13.880 1.00 0.00 O ATOM 257 ND2 ASN A 19 -16.270 -3.910 -13.697 1.00 0.00 N ATOM 0 H ASN A 19 -15.192 -5.411 -12.050 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.553 -7.678 -13.599 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.317 -5.758 -15.396 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -15.885 -6.144 -14.715 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -16.427 -2.958 -13.366 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -17.058 -4.549 -13.803 1.00 0.00 H new ATOM 264 N ALA A 20 -12.099 -5.561 -13.032 1.00 0.00 N ATOM 265 CA ALA A 20 -10.653 -5.390 -13.113 1.00 0.00 C ATOM 266 C ALA A 20 -9.925 -6.570 -12.478 1.00 0.00 C ATOM 267 O ALA A 20 -10.157 -6.925 -11.322 1.00 0.00 O ATOM 268 CB ALA A 20 -10.237 -4.088 -12.444 1.00 0.00 C ATOM 0 H ALA A 20 -12.581 -4.832 -12.507 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.375 -5.349 -14.166 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.155 -3.973 -12.512 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.723 -3.250 -12.945 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.535 -4.106 -11.396 1.00 0.00 H new ATOM 274 N PRO A 21 -9.022 -7.193 -13.250 1.00 0.00 N ATOM 275 CA PRO A 21 -8.241 -8.343 -12.783 1.00 0.00 C ATOM 276 C PRO A 21 -7.214 -7.955 -11.725 1.00 0.00 C ATOM 277 O PRO A 21 -6.449 -7.007 -11.906 1.00 0.00 O ATOM 278 CB PRO A 21 -7.542 -8.835 -14.053 1.00 0.00 C ATOM 279 CG PRO A 21 -7.462 -7.635 -14.931 1.00 0.00 C ATOM 280 CD PRO A 21 -8.694 -6.824 -14.637 1.00 0.00 C ATOM 0 HA PRO A 21 -8.868 -9.096 -12.306 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.551 -9.230 -13.831 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.106 -9.637 -14.529 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.559 -7.061 -14.726 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.425 -7.922 -15.982 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.504 -5.755 -14.734 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.508 -7.067 -15.321 1.00 0.00 H new ATOM 288 N VAL A 22 -7.201 -8.694 -10.620 1.00 0.00 N ATOM 289 CA VAL A 22 -6.266 -8.428 -9.534 1.00 0.00 C ATOM 290 C VAL A 22 -4.823 -8.590 -9.998 1.00 0.00 C ATOM 291 O VAL A 22 -4.403 -9.680 -10.388 1.00 0.00 O ATOM 292 CB VAL A 22 -6.516 -9.364 -8.336 1.00 0.00 C ATOM 293 CG1 VAL A 22 -6.501 -10.818 -8.782 1.00 0.00 C ATOM 294 CG2 VAL A 22 -5.484 -9.121 -7.246 1.00 0.00 C ATOM 0 H VAL A 22 -7.828 -9.481 -10.454 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.430 -7.397 -9.221 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.502 -9.145 -7.926 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.679 -11.464 -7.922 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.282 -10.979 -9.525 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.531 -11.055 -9.219 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.676 -9.791 -6.408 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.486 -9.311 -7.641 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.549 -8.087 -6.907 1.00 0.00 H new ATOM 304 N THR A 23 -4.066 -7.498 -9.953 1.00 0.00 N ATOM 305 CA THR A 23 -2.670 -7.518 -10.370 1.00 0.00 C ATOM 306 C THR A 23 -1.828 -8.374 -9.430 1.00 0.00 C ATOM 307 O THR A 23 -1.224 -9.362 -9.848 1.00 0.00 O ATOM 308 CB THR A 23 -2.078 -6.096 -10.420 1.00 0.00 C ATOM 309 OG1 THR A 23 -3.002 -5.203 -11.052 1.00 0.00 O ATOM 310 CG2 THR A 23 -0.758 -6.086 -11.175 1.00 0.00 C ATOM 0 H THR A 23 -4.397 -6.588 -9.632 1.00 0.00 H new ATOM 0 HA THR A 23 -2.645 -7.949 -11.371 1.00 0.00 H new ATOM 0 HB THR A 23 -1.896 -5.766 -9.397 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.618 -4.841 -10.381 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.359 -5.072 -11.197 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.048 -6.744 -10.675 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.920 -6.435 -12.195 1.00 0.00 H new ATOM 318 N LYS A 24 -1.793 -7.989 -8.159 1.00 0.00 N ATOM 319 CA LYS A 24 -1.026 -8.722 -7.158 1.00 0.00 C ATOM 320 C LYS A 24 -1.699 -8.641 -5.792 1.00 0.00 C ATOM 321 O LYS A 24 -2.136 -7.572 -5.367 1.00 0.00 O ATOM 322 CB LYS A 24 0.398 -8.169 -7.071 1.00 0.00 C ATOM 323 CG LYS A 24 1.423 -9.196 -6.622 1.00 0.00 C ATOM 324 CD LYS A 24 2.725 -8.537 -6.200 1.00 0.00 C ATOM 325 CE LYS A 24 3.642 -9.519 -5.487 1.00 0.00 C ATOM 326 NZ LYS A 24 4.201 -10.534 -6.422 1.00 0.00 N ATOM 0 H LYS A 24 -2.287 -7.173 -7.797 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.984 -9.768 -7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.688 -7.781 -8.047 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.411 -7.328 -6.377 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.020 -9.774 -5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.616 -9.898 -7.433 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.232 -8.136 -7.078 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.511 -7.694 -5.542 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.458 -8.975 -5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.089 -10.022 -4.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.752 -11.234 -5.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.424 -11.013 -6.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.819 -10.065 -7.115 1.00 0.00 H new ATOM 340 N ALA A 25 -1.776 -9.778 -5.107 1.00 0.00 N ATOM 341 CA ALA A 25 -2.392 -9.835 -3.788 1.00 0.00 C ATOM 342 C ALA A 25 -1.503 -10.582 -2.799 1.00 0.00 C ATOM 343 O ALA A 25 -1.019 -11.675 -3.088 1.00 0.00 O ATOM 344 CB ALA A 25 -3.761 -10.493 -3.872 1.00 0.00 C ATOM 0 H ALA A 25 -1.419 -10.672 -5.445 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.514 -8.814 -3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.209 -10.529 -2.879 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.402 -9.916 -4.539 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.654 -11.507 -4.258 1.00 0.00 H new ATOM 350 N GLY A 26 -1.292 -9.983 -1.630 1.00 0.00 N ATOM 351 CA GLY A 26 -0.461 -10.607 -0.617 1.00 0.00 C ATOM 352 C GLY A 26 -0.529 -9.884 0.714 1.00 0.00 C ATOM 353 O GLY A 26 -0.678 -8.663 0.758 1.00 0.00 O ATOM 0 H GLY A 26 -1.682 -9.078 -1.367 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.774 -11.642 -0.481 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.573 -10.630 -0.962 1.00 0.00 H new ATOM 357 N TRP A 27 -0.423 -10.640 1.801 1.00 0.00 N ATOM 358 CA TRP A 27 -0.475 -10.063 3.140 1.00 0.00 C ATOM 359 C TRP A 27 0.794 -9.275 3.443 1.00 0.00 C ATOM 360 O TRP A 27 1.851 -9.855 3.696 1.00 0.00 O ATOM 361 CB TRP A 27 -0.669 -11.164 4.184 1.00 0.00 C ATOM 362 CG TRP A 27 -2.073 -11.683 4.247 1.00 0.00 C ATOM 363 CD1 TRP A 27 -2.577 -12.768 3.589 1.00 0.00 C ATOM 364 CD2 TRP A 27 -3.155 -11.135 5.009 1.00 0.00 C ATOM 365 NE1 TRP A 27 -3.907 -12.929 3.897 1.00 0.00 N ATOM 366 CE2 TRP A 27 -4.285 -11.940 4.766 1.00 0.00 C ATOM 367 CE3 TRP A 27 -3.278 -10.045 5.875 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -5.520 -11.687 5.357 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -4.505 -9.795 6.460 1.00 0.00 C ATOM 370 CH2 TRP A 27 -5.612 -10.613 6.200 1.00 0.00 C ATOM 0 H TRP A 27 -0.301 -11.652 1.782 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.323 -9.379 3.182 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.006 -11.990 3.960 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.387 -10.779 5.164 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -2.014 -13.406 2.924 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -4.514 -13.665 3.537 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.430 -9.410 6.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -6.375 -12.316 5.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.612 -8.954 7.129 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.557 -10.392 6.674 1.00 0.00 H new ATOM 381 N LEU A 28 0.684 -7.952 3.417 1.00 0.00 N ATOM 382 CA LEU A 28 1.824 -7.084 3.690 1.00 0.00 C ATOM 383 C LEU A 28 1.692 -6.425 5.060 1.00 0.00 C ATOM 384 O LEU A 28 0.673 -6.572 5.735 1.00 0.00 O ATOM 385 CB LEU A 28 1.945 -6.011 2.606 1.00 0.00 C ATOM 386 CG LEU A 28 2.590 -6.455 1.292 1.00 0.00 C ATOM 387 CD1 LEU A 28 2.390 -5.399 0.216 1.00 0.00 C ATOM 388 CD2 LEU A 28 4.071 -6.739 1.495 1.00 0.00 C ATOM 0 H LEU A 28 -0.183 -7.456 3.210 1.00 0.00 H new ATOM 0 HA LEU A 28 2.725 -7.698 3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.948 -5.629 2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.523 -5.179 3.009 1.00 0.00 H new ATOM 0 HG LEU A 28 2.106 -7.375 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.855 -5.732 -0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.324 -5.244 0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.847 -4.463 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.514 -7.054 0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.570 -5.836 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.192 -7.531 2.234 1.00 0.00 H new ATOM 400 N PHE A 29 2.728 -5.697 5.463 1.00 0.00 N ATOM 401 CA PHE A 29 2.727 -5.015 6.752 1.00 0.00 C ATOM 402 C PHE A 29 2.906 -3.510 6.571 1.00 0.00 C ATOM 403 O PHE A 29 3.970 -3.044 6.164 1.00 0.00 O ATOM 404 CB PHE A 29 3.838 -5.568 7.646 1.00 0.00 C ATOM 405 CG PHE A 29 3.624 -6.997 8.055 1.00 0.00 C ATOM 406 CD1 PHE A 29 3.474 -7.989 7.100 1.00 0.00 C ATOM 407 CD2 PHE A 29 3.572 -7.348 9.394 1.00 0.00 C ATOM 408 CE1 PHE A 29 3.277 -9.306 7.472 1.00 0.00 C ATOM 409 CE2 PHE A 29 3.375 -8.663 9.773 1.00 0.00 C ATOM 410 CZ PHE A 29 3.226 -9.643 8.810 1.00 0.00 C ATOM 0 H PHE A 29 3.579 -5.564 4.916 1.00 0.00 H new ATOM 0 HA PHE A 29 1.763 -5.194 7.229 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.790 -5.488 7.121 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.915 -4.950 8.541 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.511 -7.731 6.052 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.687 -6.586 10.151 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.163 -10.070 6.717 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.338 -8.924 10.820 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.070 -10.671 9.103 1.00 0.00 H new ATOM 420 N LYS A 30 1.855 -2.755 6.875 1.00 0.00 N ATOM 421 CA LYS A 30 1.894 -1.303 6.747 1.00 0.00 C ATOM 422 C LYS A 30 2.316 -0.652 8.060 1.00 0.00 C ATOM 423 O LYS A 30 1.747 -0.935 9.114 1.00 0.00 O ATOM 424 CB LYS A 30 0.524 -0.772 6.320 1.00 0.00 C ATOM 425 CG LYS A 30 0.472 0.741 6.189 1.00 0.00 C ATOM 426 CD LYS A 30 -0.662 1.183 5.279 1.00 0.00 C ATOM 427 CE LYS A 30 -0.899 2.683 5.373 1.00 0.00 C ATOM 428 NZ LYS A 30 0.231 3.460 4.793 1.00 0.00 N ATOM 0 H LYS A 30 0.966 -3.125 7.212 1.00 0.00 H new ATOM 0 HA LYS A 30 2.630 -1.050 5.984 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.251 -1.221 5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.223 -1.091 7.047 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.344 1.188 7.175 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.420 1.106 5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.429 0.914 4.249 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.575 0.652 5.549 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.821 2.938 4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.035 2.964 6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.739 3.954 5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.883 2.813 4.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.139 4.156 4.114 1.00 0.00 H new ATOM 442 N GLN A 31 3.316 0.220 7.988 1.00 0.00 N ATOM 443 CA GLN A 31 3.813 0.911 9.172 1.00 0.00 C ATOM 444 C GLN A 31 2.780 1.902 9.698 1.00 0.00 C ATOM 445 O GLN A 31 2.077 2.550 8.923 1.00 0.00 O ATOM 446 CB GLN A 31 5.120 1.639 8.853 1.00 0.00 C ATOM 447 CG GLN A 31 6.057 1.759 10.044 1.00 0.00 C ATOM 448 CD GLN A 31 7.030 2.913 9.908 1.00 0.00 C ATOM 449 OE1 GLN A 31 6.665 4.074 10.099 1.00 0.00 O ATOM 450 NE2 GLN A 31 8.277 2.601 9.575 1.00 0.00 N ATOM 0 H GLN A 31 3.798 0.465 7.123 1.00 0.00 H new ATOM 0 HA GLN A 31 4.000 0.165 9.945 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.633 1.111 8.049 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.889 2.637 8.482 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.469 1.890 10.952 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.615 0.830 10.157 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.536 1.626 9.426 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.976 3.337 9.468 1.00 0.00 H new ATOM 459 N ALA A 32 2.694 2.015 11.019 1.00 0.00 N ATOM 460 CA ALA A 32 1.748 2.928 11.648 1.00 0.00 C ATOM 461 C ALA A 32 2.447 4.194 12.132 1.00 0.00 C ATOM 462 O ALA A 32 3.224 4.160 13.086 1.00 0.00 O ATOM 463 CB ALA A 32 1.039 2.240 12.804 1.00 0.00 C ATOM 0 H ALA A 32 3.268 1.485 11.675 1.00 0.00 H new ATOM 0 HA ALA A 32 1.007 3.215 10.902 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.336 2.934 13.264 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.499 1.369 12.433 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.773 1.923 13.545 1.00 0.00 H new ATOM 536 N GLN A 38 4.213 0.869 14.937 1.00 0.00 N ATOM 537 CA GLN A 38 4.066 -0.579 14.851 1.00 0.00 C ATOM 538 C GLN A 38 3.457 -0.987 13.514 1.00 0.00 C ATOM 539 O GLN A 38 2.457 -0.418 13.077 1.00 0.00 O ATOM 540 CB GLN A 38 3.195 -1.093 15.999 1.00 0.00 C ATOM 541 CG GLN A 38 1.717 -0.777 15.830 1.00 0.00 C ATOM 542 CD GLN A 38 0.887 -1.216 17.020 1.00 0.00 C ATOM 543 OE1 GLN A 38 1.403 -1.376 18.126 1.00 0.00 O ATOM 544 NE2 GLN A 38 -0.408 -1.411 16.799 1.00 0.00 N ATOM 0 HA GLN A 38 5.058 -1.024 14.928 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.320 -2.173 16.084 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.547 -0.657 16.934 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.593 0.296 15.681 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.345 -1.268 14.931 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.794 -1.266 15.866 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.017 -1.705 17.562 1.00 0.00 H new ATOM 553 N TRP A 39 4.067 -1.974 12.869 1.00 0.00 N ATOM 554 CA TRP A 39 3.586 -2.458 11.580 1.00 0.00 C ATOM 555 C TRP A 39 2.312 -3.280 11.748 1.00 0.00 C ATOM 556 O TRP A 39 2.282 -4.244 12.511 1.00 0.00 O ATOM 557 CB TRP A 39 4.663 -3.298 10.892 1.00 0.00 C ATOM 558 CG TRP A 39 5.975 -2.587 10.758 1.00 0.00 C ATOM 559 CD1 TRP A 39 6.927 -2.436 11.726 1.00 0.00 C ATOM 560 CD2 TRP A 39 6.479 -1.931 9.590 1.00 0.00 C ATOM 561 NE1 TRP A 39 7.993 -1.724 11.229 1.00 0.00 N ATOM 562 CE2 TRP A 39 7.743 -1.403 9.921 1.00 0.00 C ATOM 563 CE3 TRP A 39 5.987 -1.738 8.296 1.00 0.00 C ATOM 564 CZ2 TRP A 39 8.517 -0.696 9.005 1.00 0.00 C ATOM 565 CZ3 TRP A 39 6.756 -1.037 7.388 1.00 0.00 C ATOM 566 CH2 TRP A 39 8.010 -0.523 7.745 1.00 0.00 C ATOM 0 H TRP A 39 4.896 -2.455 13.217 1.00 0.00 H new ATOM 0 HA TRP A 39 3.358 -1.593 10.957 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.812 -4.218 11.457 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.311 -3.586 9.901 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.853 -2.819 12.733 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.834 -1.475 11.750 1.00 0.00 H new ATOM 0 HE3 TRP A 39 5.022 -2.130 8.011 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.483 -0.298 9.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.385 -0.882 6.386 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.588 0.020 7.012 1.00 0.00 H new ATOM 577 N ASN A 40 1.263 -2.891 11.031 1.00 0.00 N ATOM 578 CA ASN A 40 -0.013 -3.593 11.102 1.00 0.00 C ATOM 579 C ASN A 40 -0.229 -4.457 9.863 1.00 0.00 C ATOM 580 O ASN A 40 -0.446 -3.945 8.765 1.00 0.00 O ATOM 581 CB ASN A 40 -1.162 -2.592 11.245 1.00 0.00 C ATOM 582 CG ASN A 40 -1.417 -2.208 12.690 1.00 0.00 C ATOM 583 OD1 ASN A 40 -1.955 -2.996 13.468 1.00 0.00 O ATOM 584 ND2 ASN A 40 -1.030 -0.991 13.055 1.00 0.00 N ATOM 0 H ASN A 40 1.271 -2.094 10.395 1.00 0.00 H new ATOM 0 HA ASN A 40 0.007 -4.242 11.977 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.933 -1.696 10.669 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.069 -3.021 10.820 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.175 -0.676 14.014 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.588 -0.371 12.376 1.00 0.00 H new ATOM 591 N LYS A 41 -0.167 -5.771 10.047 1.00 0.00 N ATOM 592 CA LYS A 41 -0.357 -6.709 8.946 1.00 0.00 C ATOM 593 C LYS A 41 -1.784 -6.638 8.412 1.00 0.00 C ATOM 594 O LYS A 41 -2.745 -6.844 9.152 1.00 0.00 O ATOM 595 CB LYS A 41 -0.043 -8.135 9.404 1.00 0.00 C ATOM 596 CG LYS A 41 -0.239 -9.179 8.318 1.00 0.00 C ATOM 597 CD LYS A 41 -0.231 -10.586 8.890 1.00 0.00 C ATOM 598 CE LYS A 41 -1.101 -11.526 8.069 1.00 0.00 C ATOM 599 NZ LYS A 41 -2.506 -11.553 8.561 1.00 0.00 N ATOM 0 H LYS A 41 0.014 -6.212 10.949 1.00 0.00 H new ATOM 0 HA LYS A 41 0.327 -6.433 8.144 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.988 -8.176 9.754 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.679 -8.383 10.254 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.184 -8.999 7.805 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.551 -9.083 7.573 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.791 -10.964 8.916 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.588 -10.564 9.919 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.088 -11.214 7.025 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.684 -12.532 8.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.816 -12.539 8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.562 -11.066 9.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.123 -11.072 7.876 1.00 0.00 H new ATOM 613 N ARG A 42 -1.914 -6.347 7.121 1.00 0.00 N ATOM 614 CA ARG A 42 -3.223 -6.250 6.488 1.00 0.00 C ATOM 615 C ARG A 42 -3.194 -6.848 5.085 1.00 0.00 C ATOM 616 O ARG A 42 -2.127 -7.028 4.498 1.00 0.00 O ATOM 617 CB ARG A 42 -3.675 -4.789 6.423 1.00 0.00 C ATOM 618 CG ARG A 42 -3.951 -4.176 7.786 1.00 0.00 C ATOM 619 CD ARG A 42 -5.389 -4.409 8.220 1.00 0.00 C ATOM 620 NE ARG A 42 -5.566 -4.213 9.657 1.00 0.00 N ATOM 621 CZ ARG A 42 -5.769 -3.026 10.217 1.00 0.00 C ATOM 622 NH1 ARG A 42 -5.821 -1.935 9.466 1.00 0.00 N ATOM 623 NH2 ARG A 42 -5.920 -2.929 11.532 1.00 0.00 N ATOM 0 H ARG A 42 -1.128 -6.174 6.494 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.933 -6.816 7.091 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.907 -4.202 5.919 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.577 -4.723 5.815 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.273 -4.606 8.523 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.749 -3.105 7.753 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.046 -3.729 7.678 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.689 -5.422 7.953 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.532 -5.033 10.263 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.705 -2.006 8.455 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.977 -1.025 9.899 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.880 -3.766 12.113 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.076 -2.017 11.962 1.00 0.00 H new ATOM 637 N TRP A 43 -4.372 -7.153 4.553 1.00 0.00 N ATOM 638 CA TRP A 43 -4.482 -7.731 3.218 1.00 0.00 C ATOM 639 C TRP A 43 -4.290 -6.665 2.146 1.00 0.00 C ATOM 640 O TRP A 43 -5.093 -5.739 2.026 1.00 0.00 O ATOM 641 CB TRP A 43 -5.842 -8.409 3.044 1.00 0.00 C ATOM 642 CG TRP A 43 -5.977 -9.143 1.744 1.00 0.00 C ATOM 643 CD1 TRP A 43 -6.974 -9.000 0.822 1.00 0.00 C ATOM 644 CD2 TRP A 43 -5.086 -10.136 1.224 1.00 0.00 C ATOM 645 NE1 TRP A 43 -6.757 -9.844 -0.240 1.00 0.00 N ATOM 646 CE2 TRP A 43 -5.605 -10.551 -0.018 1.00 0.00 C ATOM 647 CE3 TRP A 43 -3.900 -10.713 1.685 1.00 0.00 C ATOM 648 CZ2 TRP A 43 -4.977 -11.516 -0.801 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -3.279 -11.671 0.907 1.00 0.00 C ATOM 650 CH2 TRP A 43 -3.818 -12.065 -0.325 1.00 0.00 C ATOM 0 H TRP A 43 -5.265 -7.010 5.025 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.695 -8.477 3.106 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.000 -9.108 3.866 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.627 -7.656 3.111 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.810 -8.323 0.914 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.356 -9.930 -1.061 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.476 -10.415 2.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.391 -11.820 -1.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.362 -12.124 1.254 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.309 -12.817 -0.910 1.00 0.00 H new ATOM 661 N PHE A 44 -3.222 -6.800 1.367 1.00 0.00 N ATOM 662 CA PHE A 44 -2.925 -5.847 0.304 1.00 0.00 C ATOM 663 C PHE A 44 -3.351 -6.396 -1.054 1.00 0.00 C ATOM 664 O PHE A 44 -3.126 -7.566 -1.362 1.00 0.00 O ATOM 665 CB PHE A 44 -1.430 -5.518 0.287 1.00 0.00 C ATOM 666 CG PHE A 44 -1.064 -4.349 1.155 1.00 0.00 C ATOM 667 CD1 PHE A 44 -1.543 -4.254 2.452 1.00 0.00 C ATOM 668 CD2 PHE A 44 -0.239 -3.344 0.675 1.00 0.00 C ATOM 669 CE1 PHE A 44 -1.208 -3.178 3.252 1.00 0.00 C ATOM 670 CE2 PHE A 44 0.100 -2.266 1.471 1.00 0.00 C ATOM 671 CZ PHE A 44 -0.384 -2.184 2.762 1.00 0.00 C ATOM 0 H PHE A 44 -2.548 -7.560 1.452 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.489 -4.935 0.501 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.870 -6.393 0.615 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.124 -5.309 -0.738 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.185 -5.030 2.842 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.144 -3.404 -0.333 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.590 -3.115 4.260 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.742 -1.489 1.084 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.119 -1.344 3.387 1.00 0.00 H new ATOM 681 N VAL A 45 -3.971 -5.542 -1.863 1.00 0.00 N ATOM 682 CA VAL A 45 -4.429 -5.940 -3.188 1.00 0.00 C ATOM 683 C VAL A 45 -4.172 -4.840 -4.212 1.00 0.00 C ATOM 684 O VAL A 45 -4.567 -3.690 -4.018 1.00 0.00 O ATOM 685 CB VAL A 45 -5.932 -6.280 -3.184 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.408 -6.616 -4.589 1.00 0.00 C ATOM 687 CG2 VAL A 45 -6.214 -7.429 -2.227 1.00 0.00 C ATOM 0 H VAL A 45 -4.167 -4.570 -1.623 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.863 -6.830 -3.464 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.484 -5.406 -2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.472 -6.853 -4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.241 -5.761 -5.244 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.853 -7.475 -4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.280 -7.657 -2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.652 -8.309 -2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.912 -7.145 -1.219 1.00 0.00 H new ATOM 697 N LEU A 46 -3.506 -5.201 -5.304 1.00 0.00 N ATOM 698 CA LEU A 46 -3.196 -4.245 -6.361 1.00 0.00 C ATOM 699 C LEU A 46 -4.127 -4.431 -7.555 1.00 0.00 C ATOM 700 O LEU A 46 -4.078 -5.452 -8.240 1.00 0.00 O ATOM 701 CB LEU A 46 -1.740 -4.401 -6.806 1.00 0.00 C ATOM 702 CG LEU A 46 -1.236 -3.380 -7.826 1.00 0.00 C ATOM 703 CD1 LEU A 46 -1.199 -1.988 -7.214 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.140 -3.775 -8.341 1.00 0.00 C ATOM 0 H LEU A 46 -3.171 -6.148 -5.480 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.343 -3.241 -5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.104 -4.347 -5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.615 -5.398 -7.228 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.927 -3.366 -8.669 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.838 -1.274 -7.955 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.202 -1.704 -6.895 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.531 -1.987 -6.353 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.483 -3.037 -9.066 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.842 -3.818 -7.508 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.083 -4.753 -8.819 1.00 0.00 H new ATOM 716 N VAL A 47 -4.973 -3.435 -7.800 1.00 0.00 N ATOM 717 CA VAL A 47 -5.913 -3.488 -8.913 1.00 0.00 C ATOM 718 C VAL A 47 -6.054 -2.123 -9.578 1.00 0.00 C ATOM 719 O VAL A 47 -6.204 -1.104 -8.903 1.00 0.00 O ATOM 720 CB VAL A 47 -7.303 -3.967 -8.452 1.00 0.00 C ATOM 721 CG1 VAL A 47 -8.349 -3.677 -9.518 1.00 0.00 C ATOM 722 CG2 VAL A 47 -7.270 -5.450 -8.115 1.00 0.00 C ATOM 0 H VAL A 47 -5.026 -2.582 -7.243 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.511 -4.201 -9.633 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.577 -3.419 -7.551 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.324 -4.022 -9.174 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.389 -2.604 -9.706 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.084 -4.197 -10.439 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.260 -5.772 -7.791 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.975 -6.017 -8.998 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.552 -5.625 -7.314 1.00 0.00 H new ATOM 732 N ASP A 48 -6.004 -2.111 -10.905 1.00 0.00 N ATOM 733 CA ASP A 48 -6.127 -0.871 -11.664 1.00 0.00 C ATOM 734 C ASP A 48 -4.997 0.093 -11.316 1.00 0.00 C ATOM 735 O ASP A 48 -5.240 1.238 -10.933 1.00 0.00 O ATOM 736 CB ASP A 48 -7.479 -0.212 -11.388 1.00 0.00 C ATOM 737 CG ASP A 48 -8.564 -0.701 -12.328 1.00 0.00 C ATOM 738 OD1 ASP A 48 -8.485 -0.395 -13.536 1.00 0.00 O ATOM 739 OD2 ASP A 48 -9.490 -1.391 -11.854 1.00 0.00 O ATOM 0 H ASP A 48 -5.879 -2.946 -11.478 1.00 0.00 H new ATOM 0 HA ASP A 48 -6.060 -1.114 -12.724 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.775 -0.415 -10.359 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.379 0.869 -11.484 1.00 0.00 H new ATOM 744 N ARG A 49 -3.761 -0.378 -11.451 1.00 0.00 N ATOM 745 CA ARG A 49 -2.594 0.442 -11.148 1.00 0.00 C ATOM 746 C ARG A 49 -2.780 1.188 -9.831 1.00 0.00 C ATOM 747 O ARG A 49 -2.210 2.261 -9.628 1.00 0.00 O ATOM 748 CB ARG A 49 -2.337 1.438 -12.280 1.00 0.00 C ATOM 749 CG ARG A 49 -1.455 0.888 -13.388 1.00 0.00 C ATOM 750 CD ARG A 49 -0.795 2.004 -14.182 1.00 0.00 C ATOM 751 NE ARG A 49 -1.750 2.704 -15.038 1.00 0.00 N ATOM 752 CZ ARG A 49 -2.105 2.278 -16.245 1.00 0.00 C ATOM 753 NH1 ARG A 49 -1.588 1.160 -16.736 1.00 0.00 N ATOM 754 NH2 ARG A 49 -2.980 2.971 -16.964 1.00 0.00 N ATOM 0 H ARG A 49 -3.542 -1.323 -11.768 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.732 -0.218 -11.052 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.292 1.745 -12.706 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.871 2.332 -11.867 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.688 0.244 -12.958 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.053 0.269 -14.057 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.335 2.714 -13.495 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.005 1.589 -14.795 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.167 3.567 -14.690 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.916 0.625 -16.187 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.863 0.835 -17.663 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.380 3.831 -16.590 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.252 2.643 -17.891 1.00 0.00 H new ATOM 768 N CYS A 50 -3.581 0.615 -8.940 1.00 0.00 N ATOM 769 CA CYS A 50 -3.844 1.227 -7.642 1.00 0.00 C ATOM 770 C CYS A 50 -3.729 0.198 -6.523 1.00 0.00 C ATOM 771 O CYS A 50 -3.965 -0.993 -6.732 1.00 0.00 O ATOM 772 CB CYS A 50 -5.236 1.861 -7.627 1.00 0.00 C ATOM 773 SG CYS A 50 -5.500 3.027 -6.271 1.00 0.00 S ATOM 0 H CYS A 50 -4.060 -0.273 -9.092 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.097 2.003 -7.475 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.399 2.377 -8.573 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.983 1.070 -7.563 1.00 0.00 H new ATOM 0 HG CYS A 50 -6.553 2.675 -5.595 1.00 0.00 H new ATOM 779 N LEU A 51 -3.363 0.664 -5.334 1.00 0.00 N ATOM 780 CA LEU A 51 -3.214 -0.217 -4.180 1.00 0.00 C ATOM 781 C LEU A 51 -4.450 -0.160 -3.288 1.00 0.00 C ATOM 782 O LEU A 51 -4.979 0.917 -3.010 1.00 0.00 O ATOM 783 CB LEU A 51 -1.972 0.171 -3.375 1.00 0.00 C ATOM 784 CG LEU A 51 -1.336 -0.944 -2.543 1.00 0.00 C ATOM 785 CD1 LEU A 51 0.118 -0.618 -2.237 1.00 0.00 C ATOM 786 CD2 LEU A 51 -2.118 -1.162 -1.257 1.00 0.00 C ATOM 0 H LEU A 51 -3.164 1.646 -5.143 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.099 -1.238 -4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.221 0.555 -4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.238 0.989 -2.706 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.366 -1.866 -3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.554 -1.422 -1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.672 -0.513 -3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.171 0.316 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.651 -1.959 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.121 -0.242 -0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.144 -1.442 -1.498 1.00 0.00 H new ATOM 798 N PHE A 52 -4.905 -1.326 -2.842 1.00 0.00 N ATOM 799 CA PHE A 52 -6.079 -1.409 -1.981 1.00 0.00 C ATOM 800 C PHE A 52 -5.848 -2.396 -0.840 1.00 0.00 C ATOM 801 O PHE A 52 -5.609 -3.582 -1.069 1.00 0.00 O ATOM 802 CB PHE A 52 -7.305 -1.830 -2.793 1.00 0.00 C ATOM 803 CG PHE A 52 -7.585 -0.932 -3.965 1.00 0.00 C ATOM 804 CD1 PHE A 52 -7.729 0.434 -3.788 1.00 0.00 C ATOM 805 CD2 PHE A 52 -7.705 -1.456 -5.242 1.00 0.00 C ATOM 806 CE1 PHE A 52 -7.986 1.263 -4.864 1.00 0.00 C ATOM 807 CE2 PHE A 52 -7.961 -0.632 -6.322 1.00 0.00 C ATOM 808 CZ PHE A 52 -8.103 0.729 -6.132 1.00 0.00 C ATOM 0 H PHE A 52 -4.479 -2.226 -3.062 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.256 -0.422 -1.554 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.161 -2.849 -3.152 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.177 -1.843 -2.139 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.639 0.856 -2.798 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.597 -2.520 -5.395 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.095 2.327 -4.713 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -8.050 -1.052 -7.313 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.305 1.374 -6.974 1.00 0.00 H new ATOM 818 N TYR A 53 -5.920 -1.897 0.389 1.00 0.00 N ATOM 819 CA TYR A 53 -5.715 -2.733 1.566 1.00 0.00 C ATOM 820 C TYR A 53 -7.018 -2.912 2.340 1.00 0.00 C ATOM 821 O TYR A 53 -7.658 -1.937 2.734 1.00 0.00 O ATOM 822 CB TYR A 53 -4.649 -2.119 2.475 1.00 0.00 C ATOM 823 CG TYR A 53 -5.116 -0.878 3.203 1.00 0.00 C ATOM 824 CD1 TYR A 53 -5.789 -0.972 4.415 1.00 0.00 C ATOM 825 CD2 TYR A 53 -4.886 0.387 2.678 1.00 0.00 C ATOM 826 CE1 TYR A 53 -6.218 0.158 5.084 1.00 0.00 C ATOM 827 CE2 TYR A 53 -5.310 1.523 3.340 1.00 0.00 C ATOM 828 CZ TYR A 53 -5.976 1.403 4.542 1.00 0.00 C ATOM 829 OH TYR A 53 -6.401 2.532 5.204 1.00 0.00 O ATOM 0 H TYR A 53 -6.119 -0.918 0.596 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.375 -3.713 1.230 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.335 -2.863 3.207 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.772 -1.871 1.877 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.980 -1.946 4.842 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.367 0.484 1.736 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.740 0.067 6.025 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.121 2.499 2.919 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.795 3.276 5.004 1.00 0.00 H new ATOM 839 N TYR A 54 -7.404 -4.165 2.554 1.00 0.00 N ATOM 840 CA TYR A 54 -8.630 -4.474 3.279 1.00 0.00 C ATOM 841 C TYR A 54 -8.320 -5.146 4.613 1.00 0.00 C ATOM 842 O TYR A 54 -7.314 -5.842 4.753 1.00 0.00 O ATOM 843 CB TYR A 54 -9.531 -5.379 2.437 1.00 0.00 C ATOM 844 CG TYR A 54 -9.834 -4.824 1.063 1.00 0.00 C ATOM 845 CD1 TYR A 54 -10.936 -4.006 0.850 1.00 0.00 C ATOM 846 CD2 TYR A 54 -9.016 -5.116 -0.021 1.00 0.00 C ATOM 847 CE1 TYR A 54 -11.217 -3.497 -0.403 1.00 0.00 C ATOM 848 CE2 TYR A 54 -9.288 -4.610 -1.278 1.00 0.00 C ATOM 849 CZ TYR A 54 -10.389 -3.802 -1.463 1.00 0.00 C ATOM 850 OH TYR A 54 -10.665 -3.295 -2.713 1.00 0.00 O ATOM 0 H TYR A 54 -6.885 -4.983 2.235 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.150 -3.537 3.477 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.054 -6.353 2.329 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.468 -5.540 2.969 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -11.585 -3.764 1.679 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.153 -5.749 0.121 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -12.080 -2.864 -0.552 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -8.642 -4.846 -2.110 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.583 -2.953 -2.732 1.00 0.00 H new ATOM 860 N LYS A 55 -9.193 -4.933 5.592 1.00 0.00 N ATOM 861 CA LYS A 55 -9.016 -5.518 6.916 1.00 0.00 C ATOM 862 C LYS A 55 -8.710 -7.009 6.816 1.00 0.00 C ATOM 863 O LYS A 55 -7.938 -7.548 7.609 1.00 0.00 O ATOM 864 CB LYS A 55 -10.272 -5.301 7.764 1.00 0.00 C ATOM 865 CG LYS A 55 -11.542 -5.823 7.115 1.00 0.00 C ATOM 866 CD LYS A 55 -12.756 -5.587 7.998 1.00 0.00 C ATOM 867 CE LYS A 55 -14.022 -6.145 7.365 1.00 0.00 C ATOM 868 NZ LYS A 55 -14.043 -7.634 7.387 1.00 0.00 N ATOM 0 H LYS A 55 -10.031 -4.359 5.493 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.171 -5.023 7.394 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.139 -5.792 8.728 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.387 -4.235 7.962 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.689 -5.331 6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.438 -6.889 6.915 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.597 -6.055 8.970 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.877 -4.518 8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.893 -5.762 7.896 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.098 -5.796 6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.969 -7.973 7.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -13.297 -8.001 6.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.878 -7.969 8.358 1.00 0.00 H new ATOM 882 N ASP A 56 -9.317 -7.668 5.836 1.00 0.00 N ATOM 883 CA ASP A 56 -9.107 -9.097 5.630 1.00 0.00 C ATOM 884 C ASP A 56 -9.118 -9.439 4.143 1.00 0.00 C ATOM 885 O ASP A 56 -9.197 -8.553 3.294 1.00 0.00 O ATOM 886 CB ASP A 56 -10.183 -9.902 6.359 1.00 0.00 C ATOM 887 CG ASP A 56 -10.064 -9.796 7.867 1.00 0.00 C ATOM 888 OD1 ASP A 56 -10.557 -8.796 8.431 1.00 0.00 O ATOM 889 OD2 ASP A 56 -9.478 -10.711 8.483 1.00 0.00 O ATOM 0 H ASP A 56 -9.959 -7.236 5.171 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.130 -9.358 6.037 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.167 -9.551 6.050 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.111 -10.949 6.065 1.00 0.00 H new ATOM 894 N GLU A 57 -9.036 -10.730 3.838 1.00 0.00 N ATOM 895 CA GLU A 57 -9.035 -11.189 2.454 1.00 0.00 C ATOM 896 C GLU A 57 -10.456 -11.256 1.901 1.00 0.00 C ATOM 897 O GLU A 57 -10.817 -12.200 1.198 1.00 0.00 O ATOM 898 CB GLU A 57 -8.370 -12.563 2.349 1.00 0.00 C ATOM 899 CG GLU A 57 -9.145 -13.669 3.045 1.00 0.00 C ATOM 900 CD GLU A 57 -8.975 -13.642 4.551 1.00 0.00 C ATOM 901 OE1 GLU A 57 -7.862 -13.949 5.027 1.00 0.00 O ATOM 902 OE2 GLU A 57 -9.953 -13.315 5.254 1.00 0.00 O ATOM 0 H GLU A 57 -8.969 -11.476 4.530 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.467 -10.472 1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.252 -12.821 1.296 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.369 -12.507 2.778 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.203 -13.575 2.801 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.814 -14.635 2.663 1.00 0.00 H new ATOM 909 N LYS A 58 -11.258 -10.247 2.225 1.00 0.00 N ATOM 910 CA LYS A 58 -12.640 -10.189 1.762 1.00 0.00 C ATOM 911 C LYS A 58 -12.771 -9.264 0.556 1.00 0.00 C ATOM 912 O LYS A 58 -13.500 -9.561 -0.389 1.00 0.00 O ATOM 913 CB LYS A 58 -13.557 -9.709 2.889 1.00 0.00 C ATOM 914 CG LYS A 58 -13.787 -10.750 3.971 1.00 0.00 C ATOM 915 CD LYS A 58 -15.147 -10.582 4.627 1.00 0.00 C ATOM 916 CE LYS A 58 -15.331 -11.551 5.785 1.00 0.00 C ATOM 917 NZ LYS A 58 -14.466 -11.198 6.945 1.00 0.00 N ATOM 0 H LYS A 58 -10.975 -9.458 2.806 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.939 -11.193 1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.126 -8.816 3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.518 -9.419 2.465 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.711 -11.748 3.539 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.005 -10.670 4.726 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.255 -9.559 4.987 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.931 -10.744 3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.375 -11.550 6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.098 -12.563 5.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.750 -11.759 7.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.473 -11.402 6.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.570 -10.186 7.161 1.00 0.00 H new ATOM 931 N GLU A 59 -12.059 -8.142 0.597 1.00 0.00 N ATOM 932 CA GLU A 59 -12.096 -7.174 -0.494 1.00 0.00 C ATOM 933 C GLU A 59 -13.512 -6.646 -0.703 1.00 0.00 C ATOM 934 O GLU A 59 -14.008 -6.602 -1.829 1.00 0.00 O ATOM 935 CB GLU A 59 -11.580 -7.809 -1.786 1.00 0.00 C ATOM 936 CG GLU A 59 -10.159 -8.335 -1.681 1.00 0.00 C ATOM 937 CD GLU A 59 -9.775 -9.218 -2.852 1.00 0.00 C ATOM 938 OE1 GLU A 59 -10.633 -10.002 -3.309 1.00 0.00 O ATOM 939 OE2 GLU A 59 -8.618 -9.126 -3.312 1.00 0.00 O ATOM 0 H GLU A 59 -11.450 -7.881 1.373 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.450 -6.337 -0.227 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.242 -8.628 -2.068 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.627 -7.071 -2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.468 -7.494 -1.623 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.052 -8.900 -0.755 1.00 0.00 H new ATOM 946 N GLU A 60 -14.157 -6.247 0.389 1.00 0.00 N ATOM 947 CA GLU A 60 -15.516 -5.723 0.324 1.00 0.00 C ATOM 948 C GLU A 60 -15.517 -4.200 0.411 1.00 0.00 C ATOM 949 O GLU A 60 -15.899 -3.514 -0.537 1.00 0.00 O ATOM 950 CB GLU A 60 -16.367 -6.310 1.453 1.00 0.00 C ATOM 951 CG GLU A 60 -16.498 -7.822 1.394 1.00 0.00 C ATOM 952 CD GLU A 60 -17.463 -8.282 0.318 1.00 0.00 C ATOM 953 OE1 GLU A 60 -18.583 -7.733 0.253 1.00 0.00 O ATOM 954 OE2 GLU A 60 -17.100 -9.191 -0.457 1.00 0.00 O ATOM 0 H GLU A 60 -13.760 -6.277 1.328 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.945 -6.015 -0.635 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.929 -6.029 2.411 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -17.362 -5.866 1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.518 -8.261 1.209 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.836 -8.192 2.362 1.00 0.00 H new ATOM 961 N SER A 61 -15.087 -3.678 1.555 1.00 0.00 N ATOM 962 CA SER A 61 -15.041 -2.236 1.769 1.00 0.00 C ATOM 963 C SER A 61 -13.600 -1.741 1.834 1.00 0.00 C ATOM 964 O SER A 61 -12.806 -2.215 2.647 1.00 0.00 O ATOM 965 CB SER A 61 -15.778 -1.867 3.058 1.00 0.00 C ATOM 966 OG SER A 61 -15.270 -2.596 4.162 1.00 0.00 O ATOM 0 H SER A 61 -14.765 -4.232 2.349 1.00 0.00 H new ATOM 0 HA SER A 61 -15.534 -1.753 0.925 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.676 -0.798 3.246 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.843 -2.070 2.943 1.00 0.00 H new ATOM 0 HG SER A 61 -14.326 -2.808 4.008 1.00 0.00 H new ATOM 972 N ILE A 62 -13.269 -0.786 0.971 1.00 0.00 N ATOM 973 CA ILE A 62 -11.924 -0.226 0.931 1.00 0.00 C ATOM 974 C ILE A 62 -11.664 0.668 2.139 1.00 0.00 C ATOM 975 O ILE A 62 -12.400 1.623 2.387 1.00 0.00 O ATOM 976 CB ILE A 62 -11.691 0.588 -0.356 1.00 0.00 C ATOM 977 CG1 ILE A 62 -11.891 -0.297 -1.588 1.00 0.00 C ATOM 978 CG2 ILE A 62 -10.297 1.195 -0.353 1.00 0.00 C ATOM 979 CD1 ILE A 62 -11.970 0.480 -2.884 1.00 0.00 C ATOM 0 H ILE A 62 -13.914 -0.384 0.290 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.231 -1.067 0.949 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.419 1.399 -0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.069 -1.010 -1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.806 -0.876 -1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.147 1.767 -1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.189 1.854 0.508 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.554 0.400 -0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.112 -0.211 -3.715 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.810 1.174 -2.842 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -11.045 1.038 -3.031 1.00 0.00 H new ATOM 991 N LEU A 63 -10.612 0.353 2.885 1.00 0.00 N ATOM 992 CA LEU A 63 -10.252 1.129 4.067 1.00 0.00 C ATOM 993 C LEU A 63 -9.465 2.377 3.681 1.00 0.00 C ATOM 994 O LEU A 63 -9.714 3.465 4.197 1.00 0.00 O ATOM 995 CB LEU A 63 -9.431 0.273 5.033 1.00 0.00 C ATOM 996 CG LEU A 63 -10.085 -1.029 5.499 1.00 0.00 C ATOM 997 CD1 LEU A 63 -9.170 -1.772 6.460 1.00 0.00 C ATOM 998 CD2 LEU A 63 -11.431 -0.746 6.151 1.00 0.00 C ATOM 0 H LEU A 63 -9.993 -0.434 2.693 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.173 1.441 4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.483 0.029 4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.199 0.874 5.912 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.252 -1.662 4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.652 -2.695 6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.231 -2.008 5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.970 -1.146 7.330 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.882 -1.683 6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.288 -0.094 7.013 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.088 -0.258 5.432 1.00 0.00 H new ATOM 1010 N GLY A 64 -8.515 2.211 2.766 1.00 0.00 N ATOM 1011 CA GLY A 64 -7.707 3.333 2.324 1.00 0.00 C ATOM 1012 C GLY A 64 -7.041 3.076 0.986 1.00 0.00 C ATOM 1013 O GLY A 64 -6.334 2.082 0.817 1.00 0.00 O ATOM 0 H GLY A 64 -8.290 1.320 2.323 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.334 4.221 2.250 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.943 3.544 3.072 1.00 0.00 H new ATOM 1017 N SER A 65 -7.268 3.973 0.032 1.00 0.00 N ATOM 1018 CA SER A 65 -6.689 3.837 -1.299 1.00 0.00 C ATOM 1019 C SER A 65 -5.536 4.817 -1.493 1.00 0.00 C ATOM 1020 O SER A 65 -5.613 5.973 -1.078 1.00 0.00 O ATOM 1021 CB SER A 65 -7.757 4.070 -2.369 1.00 0.00 C ATOM 1022 OG SER A 65 -8.401 5.318 -2.183 1.00 0.00 O ATOM 0 H SER A 65 -7.849 4.802 0.156 1.00 0.00 H new ATOM 0 HA SER A 65 -6.301 2.823 -1.398 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.299 4.037 -3.358 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.494 3.268 -2.332 1.00 0.00 H new ATOM 0 HG SER A 65 -9.078 5.444 -2.880 1.00 0.00 H new ATOM 1028 N ILE A 66 -4.467 4.345 -2.127 1.00 0.00 N ATOM 1029 CA ILE A 66 -3.298 5.179 -2.378 1.00 0.00 C ATOM 1030 C ILE A 66 -2.747 4.945 -3.780 1.00 0.00 C ATOM 1031 O ILE A 66 -2.356 3.836 -4.143 1.00 0.00 O ATOM 1032 CB ILE A 66 -2.184 4.911 -1.349 1.00 0.00 C ATOM 1033 CG1 ILE A 66 -2.702 5.152 0.070 1.00 0.00 C ATOM 1034 CG2 ILE A 66 -0.976 5.790 -1.635 1.00 0.00 C ATOM 1035 CD1 ILE A 66 -1.972 4.350 1.125 1.00 0.00 C ATOM 0 H ILE A 66 -4.387 3.390 -2.476 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.624 6.215 -2.287 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.877 3.868 -1.431 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.613 6.213 0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.763 4.905 0.107 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.197 5.589 -0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.596 5.573 -2.634 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.267 6.839 -1.577 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.392 4.571 2.106 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.082 3.286 0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.914 4.614 1.116 1.00 0.00 H new ATOM 1047 N PRO A 67 -2.713 6.015 -4.588 1.00 0.00 N ATOM 1048 CA PRO A 67 -2.208 5.953 -5.964 1.00 0.00 C ATOM 1049 C PRO A 67 -0.699 5.740 -6.018 1.00 0.00 C ATOM 1050 O PRO A 67 0.066 6.483 -5.402 1.00 0.00 O ATOM 1051 CB PRO A 67 -2.577 7.322 -6.539 1.00 0.00 C ATOM 1052 CG PRO A 67 -2.660 8.221 -5.354 1.00 0.00 C ATOM 1053 CD PRO A 67 -3.163 7.368 -4.222 1.00 0.00 C ATOM 0 HA PRO A 67 -2.633 5.115 -6.517 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.825 7.669 -7.248 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.526 7.284 -7.074 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.685 8.647 -5.118 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.335 9.056 -5.544 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.748 7.684 -3.265 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.248 7.420 -4.131 1.00 0.00 H new ATOM 1061 N LEU A 68 -0.277 4.722 -6.760 1.00 0.00 N ATOM 1062 CA LEU A 68 1.142 4.412 -6.896 1.00 0.00 C ATOM 1063 C LEU A 68 1.717 5.037 -8.163 1.00 0.00 C ATOM 1064 O LEU A 68 2.894 5.399 -8.211 1.00 0.00 O ATOM 1065 CB LEU A 68 1.354 2.897 -6.920 1.00 0.00 C ATOM 1066 CG LEU A 68 1.302 2.191 -5.565 1.00 0.00 C ATOM 1067 CD1 LEU A 68 1.166 0.688 -5.751 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.542 2.518 -4.745 1.00 0.00 C ATOM 0 H LEU A 68 -0.897 4.098 -7.276 1.00 0.00 H new ATOM 0 HA LEU A 68 1.664 4.832 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.597 2.454 -7.567 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.322 2.693 -7.377 1.00 0.00 H new ATOM 0 HG LEU A 68 0.427 2.550 -5.023 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.131 0.202 -4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.249 0.471 -6.298 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.021 0.312 -6.313 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.488 2.007 -3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.431 2.187 -5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.596 3.594 -4.581 1.00 0.00 H new ATOM 1080 N LEU A 69 0.880 5.164 -9.187 1.00 0.00 N ATOM 1081 CA LEU A 69 1.304 5.748 -10.454 1.00 0.00 C ATOM 1082 C LEU A 69 1.946 7.114 -10.237 1.00 0.00 C ATOM 1083 O LEU A 69 2.615 7.645 -11.123 1.00 0.00 O ATOM 1084 CB LEU A 69 0.111 5.878 -11.403 1.00 0.00 C ATOM 1085 CG LEU A 69 -1.207 6.322 -10.767 1.00 0.00 C ATOM 1086 CD1 LEU A 69 -2.037 7.120 -11.761 1.00 0.00 C ATOM 1087 CD2 LEU A 69 -1.988 5.118 -10.263 1.00 0.00 C ATOM 0 H LEU A 69 -0.096 4.870 -9.164 1.00 0.00 H new ATOM 0 HA LEU A 69 2.046 5.085 -10.900 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.371 6.590 -12.186 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.049 4.915 -11.888 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.980 6.964 -9.916 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.971 7.427 -11.291 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.480 8.003 -12.074 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.255 6.502 -12.632 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.923 5.453 -9.814 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.205 4.450 -11.097 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.397 4.587 -9.517 1.00 0.00 H new ATOM 1099 N SER A 70 1.740 7.677 -9.051 1.00 0.00 N ATOM 1100 CA SER A 70 2.297 8.982 -8.717 1.00 0.00 C ATOM 1101 C SER A 70 3.275 8.873 -7.550 1.00 0.00 C ATOM 1102 O SER A 70 3.434 9.811 -6.769 1.00 0.00 O ATOM 1103 CB SER A 70 1.177 9.965 -8.368 1.00 0.00 C ATOM 1104 OG SER A 70 0.161 9.951 -9.355 1.00 0.00 O ATOM 0 H SER A 70 1.191 7.249 -8.305 1.00 0.00 H new ATOM 0 HA SER A 70 2.837 9.352 -9.588 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.751 9.706 -7.399 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.587 10.971 -8.278 1.00 0.00 H new ATOM 0 HG SER A 70 -0.544 10.586 -9.108 1.00 0.00 H new ATOM 1110 N PHE A 71 3.927 7.721 -7.439 1.00 0.00 N ATOM 1111 CA PHE A 71 4.889 7.487 -6.368 1.00 0.00 C ATOM 1112 C PHE A 71 6.158 6.836 -6.910 1.00 0.00 C ATOM 1113 O PHE A 71 6.251 6.524 -8.097 1.00 0.00 O ATOM 1114 CB PHE A 71 4.271 6.603 -5.283 1.00 0.00 C ATOM 1115 CG PHE A 71 3.531 7.377 -4.230 1.00 0.00 C ATOM 1116 CD1 PHE A 71 2.286 7.922 -4.498 1.00 0.00 C ATOM 1117 CD2 PHE A 71 4.080 7.558 -2.970 1.00 0.00 C ATOM 1118 CE1 PHE A 71 1.603 8.634 -3.530 1.00 0.00 C ATOM 1119 CE2 PHE A 71 3.402 8.269 -1.999 1.00 0.00 C ATOM 1120 CZ PHE A 71 2.161 8.807 -2.279 1.00 0.00 C ATOM 0 H PHE A 71 3.807 6.935 -8.077 1.00 0.00 H new ATOM 0 HA PHE A 71 5.154 8.451 -5.934 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.587 5.894 -5.749 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.060 6.020 -4.807 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.844 7.789 -5.474 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.049 7.138 -2.745 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.633 9.055 -3.752 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.842 8.404 -1.022 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.628 9.362 -1.521 1.00 0.00 H new ATOM 1130 N ARG A 72 7.134 6.633 -6.030 1.00 0.00 N ATOM 1131 CA ARG A 72 8.398 6.020 -6.419 1.00 0.00 C ATOM 1132 C ARG A 72 8.803 4.934 -5.427 1.00 0.00 C ATOM 1133 O ARG A 72 9.608 5.170 -4.526 1.00 0.00 O ATOM 1134 CB ARG A 72 9.497 7.080 -6.508 1.00 0.00 C ATOM 1135 CG ARG A 72 10.853 6.520 -6.905 1.00 0.00 C ATOM 1136 CD ARG A 72 11.922 7.601 -6.910 1.00 0.00 C ATOM 1137 NE ARG A 72 13.270 7.039 -6.868 1.00 0.00 N ATOM 1138 CZ ARG A 72 13.929 6.630 -7.946 1.00 0.00 C ATOM 1139 NH1 ARG A 72 13.369 6.720 -9.144 1.00 0.00 N ATOM 1140 NH2 ARG A 72 15.152 6.129 -7.827 1.00 0.00 N ATOM 0 H ARG A 72 7.073 6.884 -5.043 1.00 0.00 H new ATOM 0 HA ARG A 72 8.265 5.562 -7.399 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.200 7.839 -7.232 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.588 7.579 -5.543 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.138 5.728 -6.212 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.786 6.069 -7.895 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.813 8.214 -7.804 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.777 8.258 -6.053 1.00 0.00 H new ATOM 0 HE ARG A 72 13.730 6.956 -5.961 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.429 7.104 -9.240 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.878 6.405 -9.970 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.587 6.058 -6.907 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.657 5.815 -8.656 1.00 0.00 H new ATOM 1154 N VAL A 73 8.241 3.742 -5.600 1.00 0.00 N ATOM 1155 CA VAL A 73 8.543 2.619 -4.721 1.00 0.00 C ATOM 1156 C VAL A 73 10.039 2.325 -4.700 1.00 0.00 C ATOM 1157 O VAL A 73 10.725 2.470 -5.711 1.00 0.00 O ATOM 1158 CB VAL A 73 7.788 1.348 -5.153 1.00 0.00 C ATOM 1159 CG1 VAL A 73 8.186 0.167 -4.281 1.00 0.00 C ATOM 1160 CG2 VAL A 73 6.285 1.578 -5.100 1.00 0.00 C ATOM 0 H VAL A 73 7.574 3.529 -6.341 1.00 0.00 H new ATOM 0 HA VAL A 73 8.217 2.904 -3.721 1.00 0.00 H new ATOM 0 HB VAL A 73 8.061 1.116 -6.182 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.642 -0.722 -4.602 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.257 -0.010 -4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.944 0.385 -3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.767 0.670 -5.408 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.992 1.835 -4.082 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.018 2.394 -5.772 1.00 0.00 H new ATOM 1170 N ALA A 74 10.539 1.911 -3.540 1.00 0.00 N ATOM 1171 CA ALA A 74 11.954 1.595 -3.387 1.00 0.00 C ATOM 1172 C ALA A 74 12.244 1.030 -2.001 1.00 0.00 C ATOM 1173 O ALA A 74 11.643 1.449 -1.012 1.00 0.00 O ATOM 1174 CB ALA A 74 12.802 2.832 -3.643 1.00 0.00 C ATOM 0 H ALA A 74 9.985 1.787 -2.693 1.00 0.00 H new ATOM 0 HA ALA A 74 12.212 0.833 -4.122 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.856 2.581 -3.525 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.625 3.191 -4.657 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.533 3.612 -2.930 1.00 0.00 H new ATOM 1180 N ALA A 75 13.167 0.076 -1.937 1.00 0.00 N ATOM 1181 CA ALA A 75 13.537 -0.545 -0.671 1.00 0.00 C ATOM 1182 C ALA A 75 13.923 0.506 0.364 1.00 0.00 C ATOM 1183 O ALA A 75 14.127 1.674 0.032 1.00 0.00 O ATOM 1184 CB ALA A 75 14.679 -1.528 -0.879 1.00 0.00 C ATOM 0 H ALA A 75 13.672 -0.284 -2.747 1.00 0.00 H new ATOM 0 HA ALA A 75 12.670 -1.087 -0.294 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.945 -1.984 0.075 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.368 -2.304 -1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.544 -1.001 -1.283 1.00 0.00 H new ATOM 1190 N VAL A 76 14.022 0.085 1.621 1.00 0.00 N ATOM 1191 CA VAL A 76 14.385 0.990 2.705 1.00 0.00 C ATOM 1192 C VAL A 76 15.898 1.064 2.876 1.00 0.00 C ATOM 1193 O VAL A 76 16.624 0.161 2.459 1.00 0.00 O ATOM 1194 CB VAL A 76 13.749 0.552 4.038 1.00 0.00 C ATOM 1195 CG1 VAL A 76 12.270 0.904 4.065 1.00 0.00 C ATOM 1196 CG2 VAL A 76 13.956 -0.938 4.262 1.00 0.00 C ATOM 0 H VAL A 76 13.856 -0.878 1.914 1.00 0.00 H new ATOM 0 HA VAL A 76 14.005 1.975 2.436 1.00 0.00 H new ATOM 0 HB VAL A 76 14.240 1.089 4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.838 0.587 5.014 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.150 1.982 3.954 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.760 0.396 3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.501 -1.230 5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.493 -1.496 3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.023 -1.157 4.290 1.00 0.00 H new ATOM 1206 N GLN A 77 16.366 2.144 3.492 1.00 0.00 N ATOM 1207 CA GLN A 77 17.794 2.335 3.718 1.00 0.00 C ATOM 1208 C GLN A 77 18.179 1.936 5.139 1.00 0.00 C ATOM 1209 O GLN A 77 17.346 1.896 6.046 1.00 0.00 O ATOM 1210 CB GLN A 77 18.182 3.793 3.464 1.00 0.00 C ATOM 1211 CG GLN A 77 18.374 4.123 1.992 1.00 0.00 C ATOM 1212 CD GLN A 77 18.656 5.594 1.756 1.00 0.00 C ATOM 1213 OE1 GLN A 77 18.848 6.361 2.700 1.00 0.00 O ATOM 1214 NE2 GLN A 77 18.683 5.996 0.491 1.00 0.00 N ATOM 0 H GLN A 77 15.778 2.900 3.843 1.00 0.00 H new ATOM 0 HA GLN A 77 18.334 1.695 3.021 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.410 4.443 3.876 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.105 4.014 4.001 1.00 0.00 H new ATOM 0 HG2 GLN A 77 19.198 3.531 1.595 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.480 3.835 1.439 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.518 5.326 -0.261 1.00 0.00 H new ATOM 0 HE22 GLN A 77 18.868 6.975 0.271 1.00 0.00 H new ATOM 1223 N PRO A 78 19.469 1.632 5.340 1.00 0.00 N ATOM 1224 CA PRO A 78 19.994 1.229 6.649 1.00 0.00 C ATOM 1225 C PRO A 78 20.009 2.382 7.646 1.00 0.00 C ATOM 1226 O PRO A 78 20.467 2.230 8.778 1.00 0.00 O ATOM 1227 CB PRO A 78 21.421 0.775 6.335 1.00 0.00 C ATOM 1228 CG PRO A 78 21.789 1.513 5.094 1.00 0.00 C ATOM 1229 CD PRO A 78 20.517 1.657 4.305 1.00 0.00 C ATOM 0 HA PRO A 78 19.380 0.458 7.115 1.00 0.00 H new ATOM 0 HB2 PRO A 78 22.101 1.012 7.153 1.00 0.00 H new ATOM 0 HB3 PRO A 78 21.469 -0.303 6.183 1.00 0.00 H new ATOM 0 HG2 PRO A 78 22.213 2.488 5.331 1.00 0.00 H new ATOM 0 HG3 PRO A 78 22.542 0.968 4.525 1.00 0.00 H new ATOM 0 HD2 PRO A 78 20.499 2.587 3.738 1.00 0.00 H new ATOM 0 HD3 PRO A 78 20.394 0.844 3.589 1.00 0.00 H new ATOM 1237 N SER A 79 19.504 3.535 7.219 1.00 0.00 N ATOM 1238 CA SER A 79 19.462 4.716 8.074 1.00 0.00 C ATOM 1239 C SER A 79 18.104 5.405 7.984 1.00 0.00 C ATOM 1240 O SER A 79 18.012 6.630 8.054 1.00 0.00 O ATOM 1241 CB SER A 79 20.571 5.695 7.682 1.00 0.00 C ATOM 1242 OG SER A 79 20.739 6.697 8.670 1.00 0.00 O ATOM 0 H SER A 79 19.118 3.677 6.286 1.00 0.00 H new ATOM 0 HA SER A 79 19.618 4.394 9.104 1.00 0.00 H new ATOM 0 HB2 SER A 79 21.507 5.153 7.546 1.00 0.00 H new ATOM 0 HB3 SER A 79 20.329 6.159 6.726 1.00 0.00 H new ATOM 0 HG SER A 79 19.873 7.112 8.865 1.00 0.00 H new ATOM 1248 N ASP A 80 17.053 4.607 7.829 1.00 0.00 N ATOM 1249 CA ASP A 80 15.698 5.139 7.730 1.00 0.00 C ATOM 1250 C ASP A 80 14.884 4.784 8.970 1.00 0.00 C ATOM 1251 O ASP A 80 13.661 4.917 8.980 1.00 0.00 O ATOM 1252 CB ASP A 80 15.006 4.598 6.478 1.00 0.00 C ATOM 1253 CG ASP A 80 15.429 5.332 5.220 1.00 0.00 C ATOM 1254 OD1 ASP A 80 16.529 5.921 5.220 1.00 0.00 O ATOM 1255 OD2 ASP A 80 14.659 5.316 4.237 1.00 0.00 O ATOM 0 H ASP A 80 17.113 3.591 7.769 1.00 0.00 H new ATOM 0 HA ASP A 80 15.764 6.225 7.659 1.00 0.00 H new ATOM 0 HB2 ASP A 80 15.233 3.537 6.370 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.926 4.682 6.598 1.00 0.00 H new ATOM 1260 N ASN A 81 15.571 4.332 10.014 1.00 0.00 N ATOM 1261 CA ASN A 81 14.911 3.956 11.259 1.00 0.00 C ATOM 1262 C ASN A 81 13.951 2.791 11.036 1.00 0.00 C ATOM 1263 O ASN A 81 12.869 2.745 11.622 1.00 0.00 O ATOM 1264 CB ASN A 81 14.153 5.152 11.840 1.00 0.00 C ATOM 1265 CG ASN A 81 13.353 4.785 13.074 1.00 0.00 C ATOM 1266 OD1 ASN A 81 12.134 4.957 13.112 1.00 0.00 O ATOM 1267 ND2 ASN A 81 14.036 4.276 14.093 1.00 0.00 N ATOM 0 H ASN A 81 16.584 4.217 10.023 1.00 0.00 H new ATOM 0 HA ASN A 81 15.678 3.641 11.967 1.00 0.00 H new ATOM 0 HB2 ASN A 81 14.862 5.941 12.091 1.00 0.00 H new ATOM 0 HB3 ASN A 81 13.482 5.556 11.082 1.00 0.00 H new ATOM 0 HD21 ASN A 81 13.551 4.010 14.950 1.00 0.00 H new ATOM 0 HD22 ASN A 81 15.046 4.151 14.018 1.00 0.00 H new ATOM 1274 N ILE A 82 14.356 1.853 10.187 1.00 0.00 N ATOM 1275 CA ILE A 82 13.533 0.688 9.888 1.00 0.00 C ATOM 1276 C ILE A 82 14.033 -0.545 10.634 1.00 0.00 C ATOM 1277 O ILE A 82 15.034 -1.150 10.251 1.00 0.00 O ATOM 1278 CB ILE A 82 13.510 0.386 8.378 1.00 0.00 C ATOM 1279 CG1 ILE A 82 13.039 1.615 7.597 1.00 0.00 C ATOM 1280 CG2 ILE A 82 12.612 -0.807 8.089 1.00 0.00 C ATOM 1281 CD1 ILE A 82 11.600 1.991 7.873 1.00 0.00 C ATOM 0 H ILE A 82 15.249 1.877 9.694 1.00 0.00 H new ATOM 0 HA ILE A 82 12.521 0.924 10.218 1.00 0.00 H new ATOM 0 HB ILE A 82 14.522 0.140 8.057 1.00 0.00 H new ATOM 0 HG12 ILE A 82 13.681 2.461 7.844 1.00 0.00 H new ATOM 0 HG13 ILE A 82 13.158 1.425 6.530 1.00 0.00 H new ATOM 0 HG21 ILE A 82 12.607 -1.007 7.018 1.00 0.00 H new ATOM 0 HG22 ILE A 82 12.987 -1.682 8.620 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.598 -0.588 8.422 1.00 0.00 H new ATOM 0 HD11 ILE A 82 11.335 2.870 7.286 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.948 1.161 7.599 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.479 2.213 8.933 1.00 0.00 H new ATOM 1293 N SER A 83 13.329 -0.911 11.700 1.00 0.00 N ATOM 1294 CA SER A 83 13.703 -2.071 12.501 1.00 0.00 C ATOM 1295 C SER A 83 13.155 -3.355 11.886 1.00 0.00 C ATOM 1296 O SER A 83 12.692 -4.248 12.596 1.00 0.00 O ATOM 1297 CB SER A 83 13.186 -1.917 13.932 1.00 0.00 C ATOM 1298 OG SER A 83 11.773 -1.802 13.955 1.00 0.00 O ATOM 0 H SER A 83 12.497 -0.421 12.029 1.00 0.00 H new ATOM 0 HA SER A 83 14.791 -2.133 12.520 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.494 -2.777 14.528 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.633 -1.035 14.391 1.00 0.00 H new ATOM 0 HG SER A 83 11.468 -1.706 14.881 1.00 0.00 H new ATOM 1304 N ARG A 84 13.213 -3.441 10.561 1.00 0.00 N ATOM 1305 CA ARG A 84 12.722 -4.615 9.849 1.00 0.00 C ATOM 1306 C ARG A 84 13.494 -4.826 8.550 1.00 0.00 C ATOM 1307 O ARG A 84 13.924 -3.867 7.908 1.00 0.00 O ATOM 1308 CB ARG A 84 11.229 -4.468 9.549 1.00 0.00 C ATOM 1309 CG ARG A 84 10.338 -4.708 10.757 1.00 0.00 C ATOM 1310 CD ARG A 84 8.870 -4.759 10.365 1.00 0.00 C ATOM 1311 NE ARG A 84 8.440 -6.114 10.029 1.00 0.00 N ATOM 1312 CZ ARG A 84 8.257 -7.072 10.931 1.00 0.00 C ATOM 1313 NH1 ARG A 84 8.466 -6.825 12.217 1.00 0.00 N ATOM 1314 NH2 ARG A 84 7.865 -8.280 10.547 1.00 0.00 N ATOM 0 H ARG A 84 13.595 -2.712 9.959 1.00 0.00 H new ATOM 0 HA ARG A 84 12.874 -5.486 10.487 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.042 -3.466 9.163 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.955 -5.169 8.761 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.620 -5.645 11.238 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.493 -3.915 11.488 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.262 -4.379 11.186 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.700 -4.103 9.512 1.00 0.00 H new ATOM 0 HE ARG A 84 8.271 -6.337 9.048 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.768 -5.898 12.516 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.325 -7.562 12.907 1.00 0.00 H new ATOM 0 HH21 ARG A 84 7.704 -8.474 9.559 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.725 -9.015 11.240 1.00 0.00 H new ATOM 1328 N LYS A 85 13.668 -6.087 8.169 1.00 0.00 N ATOM 1329 CA LYS A 85 14.388 -6.425 6.947 1.00 0.00 C ATOM 1330 C LYS A 85 13.417 -6.741 5.814 1.00 0.00 C ATOM 1331 O LYS A 85 12.328 -7.267 6.044 1.00 0.00 O ATOM 1332 CB LYS A 85 15.312 -7.621 7.190 1.00 0.00 C ATOM 1333 CG LYS A 85 16.385 -7.359 8.233 1.00 0.00 C ATOM 1334 CD LYS A 85 17.263 -8.580 8.448 1.00 0.00 C ATOM 1335 CE LYS A 85 18.428 -8.272 9.376 1.00 0.00 C ATOM 1336 NZ LYS A 85 18.056 -8.442 10.808 1.00 0.00 N ATOM 0 H LYS A 85 13.320 -6.892 8.689 1.00 0.00 H new ATOM 0 HA LYS A 85 14.988 -5.563 6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.712 -8.475 7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.790 -7.897 6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.002 -6.517 7.918 1.00 0.00 H new ATOM 0 HG3 LYS A 85 15.916 -7.076 9.176 1.00 0.00 H new ATOM 0 HD2 LYS A 85 16.666 -9.389 8.868 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.643 -8.930 7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 85 19.265 -8.928 9.138 1.00 0.00 H new ATOM 0 HE3 LYS A 85 18.766 -7.250 9.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 18.877 -8.223 11.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 17.274 -7.798 11.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 17.758 -9.424 10.975 1.00 0.00 H new ATOM 1350 N HIS A 86 13.819 -6.417 4.589 1.00 0.00 N ATOM 1351 CA HIS A 86 12.986 -6.668 3.419 1.00 0.00 C ATOM 1352 C HIS A 86 11.791 -5.720 3.389 1.00 0.00 C ATOM 1353 O HIS A 86 10.644 -6.151 3.264 1.00 0.00 O ATOM 1354 CB HIS A 86 12.500 -8.118 3.414 1.00 0.00 C ATOM 1355 CG HIS A 86 13.504 -9.087 3.959 1.00 0.00 C ATOM 1356 ND1 HIS A 86 14.773 -9.228 3.440 1.00 0.00 N ATOM 1357 CD2 HIS A 86 13.419 -9.966 4.985 1.00 0.00 C ATOM 1358 CE1 HIS A 86 15.426 -10.152 4.122 1.00 0.00 C ATOM 1359 NE2 HIS A 86 14.626 -10.616 5.065 1.00 0.00 N ATOM 0 H HIS A 86 14.717 -5.980 4.381 1.00 0.00 H new ATOM 0 HA HIS A 86 13.591 -6.492 2.529 1.00 0.00 H new ATOM 0 HB2 HIS A 86 11.584 -8.188 4.001 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.247 -8.405 2.393 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.562 -10.126 5.622 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.441 -10.473 3.940 1.00 0.00 H new ATOM 0 HE2 HIS A 86 14.866 -11.340 5.743 1.00 0.00 H new ATOM 1368 N THR A 87 12.067 -4.424 3.506 1.00 0.00 N ATOM 1369 CA THR A 87 11.016 -3.415 3.495 1.00 0.00 C ATOM 1370 C THR A 87 11.199 -2.443 2.335 1.00 0.00 C ATOM 1371 O THR A 87 12.308 -2.266 1.830 1.00 0.00 O ATOM 1372 CB THR A 87 10.985 -2.621 4.814 1.00 0.00 C ATOM 1373 OG1 THR A 87 10.631 -3.486 5.899 1.00 0.00 O ATOM 1374 CG2 THR A 87 9.992 -1.471 4.731 1.00 0.00 C ATOM 0 H THR A 87 13.010 -4.049 3.609 1.00 0.00 H new ATOM 0 HA THR A 87 10.071 -3.945 3.376 1.00 0.00 H new ATOM 0 HB THR A 87 11.979 -2.210 4.987 1.00 0.00 H new ATOM 0 HG1 THR A 87 10.615 -2.973 6.734 1.00 0.00 H new ATOM 0 HG21 THR A 87 9.988 -0.925 5.674 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.281 -0.798 3.924 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.995 -1.865 4.535 1.00 0.00 H new ATOM 1382 N PHE A 88 10.105 -1.815 1.916 1.00 0.00 N ATOM 1383 CA PHE A 88 10.146 -0.861 0.814 1.00 0.00 C ATOM 1384 C PHE A 88 9.140 0.265 1.033 1.00 0.00 C ATOM 1385 O PHE A 88 7.974 0.021 1.342 1.00 0.00 O ATOM 1386 CB PHE A 88 9.857 -1.568 -0.512 1.00 0.00 C ATOM 1387 CG PHE A 88 8.536 -2.283 -0.534 1.00 0.00 C ATOM 1388 CD1 PHE A 88 8.359 -3.460 0.177 1.00 0.00 C ATOM 1389 CD2 PHE A 88 7.472 -1.779 -1.264 1.00 0.00 C ATOM 1390 CE1 PHE A 88 7.145 -4.121 0.157 1.00 0.00 C ATOM 1391 CE2 PHE A 88 6.256 -2.435 -1.287 1.00 0.00 C ATOM 1392 CZ PHE A 88 6.092 -3.607 -0.574 1.00 0.00 C ATOM 0 H PHE A 88 9.179 -1.950 2.323 1.00 0.00 H new ATOM 0 HA PHE A 88 11.146 -0.429 0.777 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.878 -0.834 -1.318 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.653 -2.285 -0.713 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.178 -3.865 0.753 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.594 -0.862 -1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.020 -5.039 0.713 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.435 -2.032 -1.862 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.142 -4.120 -0.588 1.00 0.00 H new ATOM 1402 N LYS A 89 9.601 1.501 0.871 1.00 0.00 N ATOM 1403 CA LYS A 89 8.744 2.667 1.050 1.00 0.00 C ATOM 1404 C LYS A 89 8.546 3.405 -0.271 1.00 0.00 C ATOM 1405 O LYS A 89 9.449 3.454 -1.106 1.00 0.00 O ATOM 1406 CB LYS A 89 9.346 3.614 2.090 1.00 0.00 C ATOM 1407 CG LYS A 89 10.466 4.483 1.544 1.00 0.00 C ATOM 1408 CD LYS A 89 11.819 3.808 1.693 1.00 0.00 C ATOM 1409 CE LYS A 89 12.773 4.219 0.582 1.00 0.00 C ATOM 1410 NZ LYS A 89 14.196 4.136 1.013 1.00 0.00 N ATOM 0 H LYS A 89 10.564 1.721 0.616 1.00 0.00 H new ATOM 0 HA LYS A 89 7.772 2.321 1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.558 4.256 2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.727 3.027 2.926 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.280 4.699 0.492 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.475 5.438 2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 89 12.251 4.067 2.659 1.00 0.00 H new ATOM 0 HD3 LYS A 89 11.690 2.726 1.681 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.618 3.577 -0.285 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.548 5.238 0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 14.732 4.922 0.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 14.249 4.197 2.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.602 3.232 0.698 1.00 0.00 H new ATOM 1424 N ALA A 90 7.361 3.978 -0.452 1.00 0.00 N ATOM 1425 CA ALA A 90 7.047 4.716 -1.669 1.00 0.00 C ATOM 1426 C ALA A 90 7.089 6.220 -1.425 1.00 0.00 C ATOM 1427 O ALA A 90 6.763 6.691 -0.336 1.00 0.00 O ATOM 1428 CB ALA A 90 5.682 4.303 -2.199 1.00 0.00 C ATOM 0 H ALA A 90 6.602 3.945 0.229 1.00 0.00 H new ATOM 0 HA ALA A 90 7.803 4.475 -2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.460 4.862 -3.108 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.686 3.236 -2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.921 4.515 -1.448 1.00 0.00 H new ATOM 1434 N GLU A 91 7.493 6.970 -2.446 1.00 0.00 N ATOM 1435 CA GLU A 91 7.578 8.422 -2.341 1.00 0.00 C ATOM 1436 C GLU A 91 7.148 9.088 -3.644 1.00 0.00 C ATOM 1437 O GLU A 91 7.545 8.667 -4.731 1.00 0.00 O ATOM 1438 CB GLU A 91 9.005 8.846 -1.985 1.00 0.00 C ATOM 1439 CG GLU A 91 9.444 10.133 -2.663 1.00 0.00 C ATOM 1440 CD GLU A 91 10.533 10.855 -1.894 1.00 0.00 C ATOM 1441 OE1 GLU A 91 10.773 10.492 -0.723 1.00 0.00 O ATOM 1442 OE2 GLU A 91 11.147 11.782 -2.463 1.00 0.00 O ATOM 0 H GLU A 91 7.766 6.596 -3.355 1.00 0.00 H new ATOM 0 HA GLU A 91 6.902 8.744 -1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 91 9.079 8.971 -0.905 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.692 8.047 -2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.803 9.906 -3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.584 10.793 -2.773 1.00 0.00 H new ATOM 1449 N HIS A 92 6.332 10.132 -3.527 1.00 0.00 N ATOM 1450 CA HIS A 92 5.847 10.857 -4.695 1.00 0.00 C ATOM 1451 C HIS A 92 6.647 12.139 -4.910 1.00 0.00 C ATOM 1452 O HIS A 92 6.661 12.697 -6.006 1.00 0.00 O ATOM 1453 CB HIS A 92 4.363 11.189 -4.535 1.00 0.00 C ATOM 1454 CG HIS A 92 3.862 12.189 -5.532 1.00 0.00 C ATOM 1455 ND1 HIS A 92 2.954 13.177 -5.216 1.00 0.00 N ATOM 1456 CD2 HIS A 92 4.149 12.350 -6.845 1.00 0.00 C ATOM 1457 CE1 HIS A 92 2.703 13.902 -6.291 1.00 0.00 C ATOM 1458 NE2 HIS A 92 3.416 13.421 -7.294 1.00 0.00 N ATOM 0 H HIS A 92 5.994 10.494 -2.635 1.00 0.00 H new ATOM 0 HA HIS A 92 5.977 10.218 -5.568 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.782 10.272 -4.629 1.00 0.00 H new ATOM 0 HB3 HIS A 92 4.191 11.573 -3.530 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.828 11.748 -7.431 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.029 14.745 -6.342 1.00 0.00 H new ATOM 0 HE2 HIS A 92 3.421 13.786 -8.247 1.00 0.00 H new ATOM 1467 N ALA A 93 7.310 12.600 -3.855 1.00 0.00 N ATOM 1468 CA ALA A 93 8.113 13.814 -3.928 1.00 0.00 C ATOM 1469 C ALA A 93 7.229 15.050 -4.051 1.00 0.00 C ATOM 1470 O ALA A 93 7.633 16.060 -4.627 1.00 0.00 O ATOM 1471 CB ALA A 93 9.081 13.737 -5.099 1.00 0.00 C ATOM 0 H ALA A 93 7.307 12.151 -2.939 1.00 0.00 H new ATOM 0 HA ALA A 93 8.684 13.898 -3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.674 14.650 -5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.742 12.880 -4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.521 13.625 -6.027 1.00 0.00 H new ATOM 1477 N GLY A 94 6.019 14.964 -3.506 1.00 0.00 N ATOM 1478 CA GLY A 94 5.096 16.082 -3.566 1.00 0.00 C ATOM 1479 C GLY A 94 3.999 15.985 -2.525 1.00 0.00 C ATOM 1480 O GLY A 94 3.531 17.001 -2.010 1.00 0.00 O ATOM 0 H GLY A 94 5.662 14.139 -3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.647 17.012 -3.423 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.648 16.126 -4.559 1.00 0.00 H new ATOM 1484 N VAL A 95 3.586 14.761 -2.214 1.00 0.00 N ATOM 1485 CA VAL A 95 2.537 14.535 -1.228 1.00 0.00 C ATOM 1486 C VAL A 95 3.110 13.962 0.064 1.00 0.00 C ATOM 1487 O VAL A 95 3.056 14.600 1.115 1.00 0.00 O ATOM 1488 CB VAL A 95 1.457 13.577 -1.766 1.00 0.00 C ATOM 1489 CG1 VAL A 95 0.396 13.319 -0.708 1.00 0.00 C ATOM 1490 CG2 VAL A 95 0.832 14.138 -3.034 1.00 0.00 C ATOM 0 H VAL A 95 3.962 13.910 -2.631 1.00 0.00 H new ATOM 0 HA VAL A 95 2.083 15.504 -1.022 1.00 0.00 H new ATOM 0 HB VAL A 95 1.929 12.626 -2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.358 12.640 -1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.860 12.870 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.076 14.261 -0.428 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.071 13.449 -3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.373 15.103 -2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.603 14.265 -3.794 1.00 0.00 H new ATOM 1500 N ARG A 96 3.660 12.755 -0.023 1.00 0.00 N ATOM 1501 CA ARG A 96 4.243 12.096 1.139 1.00 0.00 C ATOM 1502 C ARG A 96 4.955 10.809 0.733 1.00 0.00 C ATOM 1503 O ARG A 96 4.997 10.454 -0.445 1.00 0.00 O ATOM 1504 CB ARG A 96 3.160 11.788 2.174 1.00 0.00 C ATOM 1505 CG ARG A 96 2.323 10.566 1.834 1.00 0.00 C ATOM 1506 CD ARG A 96 1.257 10.310 2.888 1.00 0.00 C ATOM 1507 NE ARG A 96 0.088 11.166 2.703 1.00 0.00 N ATOM 1508 CZ ARG A 96 -0.885 11.285 3.600 1.00 0.00 C ATOM 1509 NH1 ARG A 96 -0.829 10.606 4.738 1.00 0.00 N ATOM 1510 NH2 ARG A 96 -1.916 12.084 3.360 1.00 0.00 N ATOM 0 H ARG A 96 3.714 12.214 -0.886 1.00 0.00 H new ATOM 0 HA ARG A 96 4.975 12.772 1.580 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.630 11.637 3.146 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.503 12.653 2.269 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.849 10.707 0.863 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.970 9.693 1.749 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.951 9.265 2.848 1.00 0.00 H new ATOM 0 HD3 ARG A 96 1.678 10.481 3.879 1.00 0.00 H new ATOM 0 HE ARG A 96 0.015 11.702 1.838 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.038 9.991 4.926 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.577 10.699 5.425 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -1.963 12.608 2.486 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.662 12.175 4.049 1.00 0.00 H new ATOM 1524 N THR A 97 5.516 10.113 1.718 1.00 0.00 N ATOM 1525 CA THR A 97 6.228 8.867 1.464 1.00 0.00 C ATOM 1526 C THR A 97 5.670 7.732 2.315 1.00 0.00 C ATOM 1527 O THR A 97 5.851 7.709 3.532 1.00 0.00 O ATOM 1528 CB THR A 97 7.735 9.013 1.748 1.00 0.00 C ATOM 1529 OG1 THR A 97 8.294 10.034 0.914 1.00 0.00 O ATOM 1530 CG2 THR A 97 8.461 7.699 1.504 1.00 0.00 C ATOM 0 H THR A 97 5.491 10.392 2.699 1.00 0.00 H new ATOM 0 HA THR A 97 6.086 8.631 0.409 1.00 0.00 H new ATOM 0 HB THR A 97 7.860 9.290 2.795 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.271 10.014 0.983 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.524 7.826 1.711 1.00 0.00 H new ATOM 0 HG22 THR A 97 8.053 6.931 2.161 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.327 7.397 0.465 1.00 0.00 H new ATOM 1538 N TYR A 98 4.991 6.792 1.666 1.00 0.00 N ATOM 1539 CA TYR A 98 4.405 5.654 2.364 1.00 0.00 C ATOM 1540 C TYR A 98 5.446 4.564 2.599 1.00 0.00 C ATOM 1541 O TYR A 98 6.472 4.513 1.921 1.00 0.00 O ATOM 1542 CB TYR A 98 3.230 5.089 1.565 1.00 0.00 C ATOM 1543 CG TYR A 98 1.989 5.952 1.619 1.00 0.00 C ATOM 1544 CD1 TYR A 98 1.114 5.879 2.696 1.00 0.00 C ATOM 1545 CD2 TYR A 98 1.694 6.842 0.594 1.00 0.00 C ATOM 1546 CE1 TYR A 98 -0.020 6.665 2.749 1.00 0.00 C ATOM 1547 CE2 TYR A 98 0.562 7.633 0.639 1.00 0.00 C ATOM 1548 CZ TYR A 98 -0.292 7.541 1.718 1.00 0.00 C ATOM 1549 OH TYR A 98 -1.420 8.327 1.768 1.00 0.00 O ATOM 0 H TYR A 98 4.833 6.796 0.658 1.00 0.00 H new ATOM 0 HA TYR A 98 4.044 6.001 3.332 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.533 4.969 0.525 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.988 4.096 1.944 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.325 5.196 3.505 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.361 6.917 -0.252 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.690 6.595 3.593 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.347 8.320 -0.166 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.463 8.888 0.966 1.00 0.00 H new ATOM 1559 N PHE A 99 5.173 3.692 3.565 1.00 0.00 N ATOM 1560 CA PHE A 99 6.085 2.602 3.891 1.00 0.00 C ATOM 1561 C PHE A 99 5.363 1.258 3.848 1.00 0.00 C ATOM 1562 O PHE A 99 4.161 1.178 4.103 1.00 0.00 O ATOM 1563 CB PHE A 99 6.699 2.820 5.276 1.00 0.00 C ATOM 1564 CG PHE A 99 7.778 3.865 5.295 1.00 0.00 C ATOM 1565 CD1 PHE A 99 7.459 5.207 5.417 1.00 0.00 C ATOM 1566 CD2 PHE A 99 9.112 3.504 5.190 1.00 0.00 C ATOM 1567 CE1 PHE A 99 8.449 6.171 5.435 1.00 0.00 C ATOM 1568 CE2 PHE A 99 10.107 4.463 5.209 1.00 0.00 C ATOM 1569 CZ PHE A 99 9.775 5.799 5.330 1.00 0.00 C ATOM 0 H PHE A 99 4.328 3.719 4.135 1.00 0.00 H new ATOM 0 HA PHE A 99 6.881 2.591 3.146 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.912 3.109 5.972 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.111 1.877 5.635 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.424 5.504 5.499 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.377 2.462 5.092 1.00 0.00 H new ATOM 0 HE1 PHE A 99 8.186 7.214 5.531 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.143 4.169 5.129 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.551 6.550 5.342 1.00 0.00 H new ATOM 1579 N PHE A 100 6.105 0.205 3.523 1.00 0.00 N ATOM 1580 CA PHE A 100 5.537 -1.136 3.445 1.00 0.00 C ATOM 1581 C PHE A 100 6.617 -2.196 3.640 1.00 0.00 C ATOM 1582 O PHE A 100 7.544 -2.308 2.839 1.00 0.00 O ATOM 1583 CB PHE A 100 4.844 -1.341 2.097 1.00 0.00 C ATOM 1584 CG PHE A 100 3.856 -0.260 1.760 1.00 0.00 C ATOM 1585 CD1 PHE A 100 2.629 -0.201 2.401 1.00 0.00 C ATOM 1586 CD2 PHE A 100 4.154 0.696 0.803 1.00 0.00 C ATOM 1587 CE1 PHE A 100 1.718 0.792 2.094 1.00 0.00 C ATOM 1588 CE2 PHE A 100 3.247 1.691 0.492 1.00 0.00 C ATOM 1589 CZ PHE A 100 2.027 1.739 1.138 1.00 0.00 C ATOM 0 H PHE A 100 7.101 0.254 3.309 1.00 0.00 H new ATOM 0 HA PHE A 100 4.802 -1.239 4.243 1.00 0.00 H new ATOM 0 HB2 PHE A 100 5.599 -1.389 1.313 1.00 0.00 H new ATOM 0 HB3 PHE A 100 4.330 -2.302 2.104 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.382 -0.940 3.149 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.106 0.663 0.294 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.765 0.827 2.601 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.492 2.431 -0.256 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.316 2.515 0.896 1.00 0.00 H new ATOM 1599 N SER A 101 6.490 -2.971 4.713 1.00 0.00 N ATOM 1600 CA SER A 101 7.456 -4.020 5.017 1.00 0.00 C ATOM 1601 C SER A 101 6.981 -5.368 4.484 1.00 0.00 C ATOM 1602 O SER A 101 5.799 -5.552 4.195 1.00 0.00 O ATOM 1603 CB SER A 101 7.686 -4.108 6.527 1.00 0.00 C ATOM 1604 OG SER A 101 8.520 -5.206 6.853 1.00 0.00 O ATOM 0 H SER A 101 5.728 -2.892 5.386 1.00 0.00 H new ATOM 0 HA SER A 101 8.396 -3.767 4.527 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.141 -3.184 6.883 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.729 -4.210 7.038 1.00 0.00 H new ATOM 0 HG SER A 101 9.453 -4.978 6.657 1.00 0.00 H new ATOM 1610 N ALA A 102 7.912 -6.308 4.356 1.00 0.00 N ATOM 1611 CA ALA A 102 7.589 -7.640 3.860 1.00 0.00 C ATOM 1612 C ALA A 102 8.206 -8.719 4.743 1.00 0.00 C ATOM 1613 O ALA A 102 9.370 -8.624 5.132 1.00 0.00 O ATOM 1614 CB ALA A 102 8.063 -7.797 2.422 1.00 0.00 C ATOM 0 H ALA A 102 8.896 -6.172 4.589 1.00 0.00 H new ATOM 0 HA ALA A 102 6.506 -7.759 3.889 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.815 -8.796 2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.571 -7.054 1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.142 -7.653 2.377 1.00 0.00 H new ATOM 1620 N GLU A 103 7.419 -9.743 5.055 1.00 0.00 N ATOM 1621 CA GLU A 103 7.889 -10.840 5.894 1.00 0.00 C ATOM 1622 C GLU A 103 9.202 -11.407 5.362 1.00 0.00 C ATOM 1623 O GLU A 103 10.194 -11.489 6.086 1.00 0.00 O ATOM 1624 CB GLU A 103 6.834 -11.946 5.966 1.00 0.00 C ATOM 1625 CG GLU A 103 5.724 -11.664 6.965 1.00 0.00 C ATOM 1626 CD GLU A 103 4.762 -12.827 7.110 1.00 0.00 C ATOM 1627 OE1 GLU A 103 3.805 -12.908 6.312 1.00 0.00 O ATOM 1628 OE2 GLU A 103 4.966 -13.656 8.021 1.00 0.00 O ATOM 0 H GLU A 103 6.453 -9.837 4.740 1.00 0.00 H new ATOM 0 HA GLU A 103 8.062 -10.448 6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.396 -12.083 4.978 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.321 -12.884 6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.163 -11.437 7.936 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.173 -10.778 6.650 1.00 0.00 H new ATOM 1635 N SER A 104 9.199 -11.799 4.092 1.00 0.00 N ATOM 1636 CA SER A 104 10.387 -12.363 3.463 1.00 0.00 C ATOM 1637 C SER A 104 10.875 -11.472 2.325 1.00 0.00 C ATOM 1638 O SER A 104 10.138 -10.641 1.794 1.00 0.00 O ATOM 1639 CB SER A 104 10.092 -13.769 2.935 1.00 0.00 C ATOM 1640 OG SER A 104 10.309 -14.746 3.937 1.00 0.00 O ATOM 0 H SER A 104 8.387 -11.736 3.478 1.00 0.00 H new ATOM 0 HA SER A 104 11.173 -12.423 4.216 1.00 0.00 H new ATOM 0 HB2 SER A 104 9.060 -13.822 2.589 1.00 0.00 H new ATOM 0 HB3 SER A 104 10.728 -13.979 2.075 1.00 0.00 H new ATOM 0 HG SER A 104 10.112 -15.635 3.575 1.00 0.00 H new ATOM 1646 N PRO A 105 12.148 -11.648 1.940 1.00 0.00 N ATOM 1647 CA PRO A 105 12.763 -10.870 0.862 1.00 0.00 C ATOM 1648 C PRO A 105 12.197 -11.229 -0.508 1.00 0.00 C ATOM 1649 O PRO A 105 12.170 -10.398 -1.415 1.00 0.00 O ATOM 1650 CB PRO A 105 14.242 -11.254 0.946 1.00 0.00 C ATOM 1651 CG PRO A 105 14.247 -12.604 1.577 1.00 0.00 C ATOM 1652 CD PRO A 105 13.084 -12.620 2.529 1.00 0.00 C ATOM 0 HA PRO A 105 12.579 -9.802 0.975 1.00 0.00 H new ATOM 0 HB2 PRO A 105 14.702 -11.277 -0.042 1.00 0.00 H new ATOM 0 HB3 PRO A 105 14.804 -10.536 1.543 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.147 -13.387 0.825 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.184 -12.786 2.103 1.00 0.00 H new ATOM 0 HD2 PRO A 105 12.639 -13.612 2.603 1.00 0.00 H new ATOM 0 HD3 PRO A 105 13.385 -12.329 3.536 1.00 0.00 H new ATOM 1660 N GLU A 106 11.746 -12.471 -0.650 1.00 0.00 N ATOM 1661 CA GLU A 106 11.180 -12.939 -1.910 1.00 0.00 C ATOM 1662 C GLU A 106 9.911 -12.166 -2.257 1.00 0.00 C ATOM 1663 O GLU A 106 9.598 -11.961 -3.429 1.00 0.00 O ATOM 1664 CB GLU A 106 10.874 -14.436 -1.833 1.00 0.00 C ATOM 1665 CG GLU A 106 12.093 -15.292 -1.532 1.00 0.00 C ATOM 1666 CD GLU A 106 11.972 -16.697 -2.090 1.00 0.00 C ATOM 1667 OE1 GLU A 106 11.500 -16.842 -3.237 1.00 0.00 O ATOM 1668 OE2 GLU A 106 12.349 -17.651 -1.378 1.00 0.00 O ATOM 0 H GLU A 106 11.761 -13.171 0.091 1.00 0.00 H new ATOM 0 HA GLU A 106 11.916 -12.766 -2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 106 10.122 -14.605 -1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 106 10.439 -14.758 -2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.980 -14.815 -1.949 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.238 -15.345 -0.453 1.00 0.00 H new ATOM 1675 N GLU A 107 9.184 -11.740 -1.228 1.00 0.00 N ATOM 1676 CA GLU A 107 7.949 -10.992 -1.424 1.00 0.00 C ATOM 1677 C GLU A 107 8.242 -9.520 -1.700 1.00 0.00 C ATOM 1678 O GLU A 107 7.646 -8.914 -2.590 1.00 0.00 O ATOM 1679 CB GLU A 107 7.047 -11.122 -0.195 1.00 0.00 C ATOM 1680 CG GLU A 107 6.151 -12.349 -0.225 1.00 0.00 C ATOM 1681 CD GLU A 107 4.921 -12.152 -1.090 1.00 0.00 C ATOM 1682 OE1 GLU A 107 4.971 -11.309 -2.010 1.00 0.00 O ATOM 1683 OE2 GLU A 107 3.909 -12.843 -0.847 1.00 0.00 O ATOM 0 H GLU A 107 9.430 -11.901 -0.251 1.00 0.00 H new ATOM 0 HA GLU A 107 7.435 -11.411 -2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.669 -11.158 0.699 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.425 -10.230 -0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 107 6.720 -13.201 -0.598 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.841 -12.593 0.791 1.00 0.00 H new ATOM 1690 N GLN A 108 9.164 -8.952 -0.929 1.00 0.00 N ATOM 1691 CA GLN A 108 9.536 -7.551 -1.089 1.00 0.00 C ATOM 1692 C GLN A 108 9.900 -7.247 -2.539 1.00 0.00 C ATOM 1693 O GLN A 108 9.320 -6.358 -3.161 1.00 0.00 O ATOM 1694 CB GLN A 108 10.710 -7.205 -0.172 1.00 0.00 C ATOM 1695 CG GLN A 108 11.239 -5.794 -0.368 1.00 0.00 C ATOM 1696 CD GLN A 108 12.708 -5.667 -0.016 1.00 0.00 C ATOM 1697 OE1 GLN A 108 13.422 -6.666 0.086 1.00 0.00 O ATOM 1698 NE2 GLN A 108 13.169 -4.436 0.172 1.00 0.00 N ATOM 0 H GLN A 108 9.667 -9.440 -0.188 1.00 0.00 H new ATOM 0 HA GLN A 108 8.677 -6.939 -0.813 1.00 0.00 H new ATOM 0 HB2 GLN A 108 10.398 -7.326 0.865 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.518 -7.915 -0.347 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.091 -5.496 -1.406 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.661 -5.105 0.247 1.00 0.00 H new ATOM 0 HE21 GLN A 108 12.542 -3.637 0.077 1.00 0.00 H new ATOM 0 HE22 GLN A 108 14.150 -4.290 0.411 1.00 0.00 H new ATOM 1707 N GLU A 109 10.866 -7.991 -3.069 1.00 0.00 N ATOM 1708 CA GLU A 109 11.308 -7.799 -4.446 1.00 0.00 C ATOM 1709 C GLU A 109 10.160 -8.029 -5.423 1.00 0.00 C ATOM 1710 O GLU A 109 9.898 -7.202 -6.296 1.00 0.00 O ATOM 1711 CB GLU A 109 12.466 -8.745 -4.769 1.00 0.00 C ATOM 1712 CG GLU A 109 12.017 -10.114 -5.252 1.00 0.00 C ATOM 1713 CD GLU A 109 13.180 -11.013 -5.622 1.00 0.00 C ATOM 1714 OE1 GLU A 109 14.230 -10.931 -4.952 1.00 0.00 O ATOM 1715 OE2 GLU A 109 13.040 -11.799 -6.582 1.00 0.00 O ATOM 0 H GLU A 109 11.357 -8.731 -2.567 1.00 0.00 H new ATOM 0 HA GLU A 109 11.650 -6.769 -4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 109 13.095 -8.288 -5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.083 -8.867 -3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.425 -10.594 -4.472 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.366 -9.994 -6.118 1.00 0.00 H new ATOM 1722 N ALA A 110 9.478 -9.160 -5.270 1.00 0.00 N ATOM 1723 CA ALA A 110 8.357 -9.499 -6.138 1.00 0.00 C ATOM 1724 C ALA A 110 7.336 -8.368 -6.184 1.00 0.00 C ATOM 1725 O ALA A 110 6.844 -8.006 -7.253 1.00 0.00 O ATOM 1726 CB ALA A 110 7.698 -10.788 -5.669 1.00 0.00 C ATOM 0 H ALA A 110 9.682 -9.856 -4.553 1.00 0.00 H new ATOM 0 HA ALA A 110 8.743 -9.646 -7.147 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.862 -11.029 -6.326 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.426 -11.599 -5.695 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.333 -10.660 -4.650 1.00 0.00 H new ATOM 1732 N TRP A 111 7.022 -7.813 -5.019 1.00 0.00 N ATOM 1733 CA TRP A 111 6.058 -6.722 -4.927 1.00 0.00 C ATOM 1734 C TRP A 111 6.544 -5.500 -5.699 1.00 0.00 C ATOM 1735 O TRP A 111 5.849 -4.996 -6.581 1.00 0.00 O ATOM 1736 CB TRP A 111 5.813 -6.353 -3.463 1.00 0.00 C ATOM 1737 CG TRP A 111 4.683 -7.114 -2.839 1.00 0.00 C ATOM 1738 CD1 TRP A 111 4.782 -8.153 -1.958 1.00 0.00 C ATOM 1739 CD2 TRP A 111 3.284 -6.897 -3.051 1.00 0.00 C ATOM 1740 NE1 TRP A 111 3.529 -8.595 -1.609 1.00 0.00 N ATOM 1741 CE2 TRP A 111 2.593 -7.840 -2.265 1.00 0.00 C ATOM 1742 CE3 TRP A 111 2.547 -5.997 -3.826 1.00 0.00 C ATOM 1743 CZ2 TRP A 111 1.202 -7.908 -2.235 1.00 0.00 C ATOM 1744 CZ3 TRP A 111 1.167 -6.065 -3.795 1.00 0.00 C ATOM 1745 CH2 TRP A 111 0.506 -7.014 -3.004 1.00 0.00 C ATOM 0 H TRP A 111 7.421 -8.100 -4.125 1.00 0.00 H new ATOM 0 HA TRP A 111 5.121 -7.059 -5.370 1.00 0.00 H new ATOM 0 HB2 TRP A 111 6.724 -6.536 -2.892 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.604 -5.285 -3.395 1.00 0.00 H new ATOM 0 HD1 TRP A 111 5.709 -8.566 -1.590 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.328 -9.361 -0.966 1.00 0.00 H new ATOM 0 HE3 TRP A 111 3.047 -5.261 -4.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 0.691 -8.640 -1.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 0.588 -5.375 -4.391 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.574 -7.041 -3.001 1.00 0.00 H new ATOM 1756 N ILE A 112 7.739 -5.030 -5.361 1.00 0.00 N ATOM 1757 CA ILE A 112 8.317 -3.867 -6.024 1.00 0.00 C ATOM 1758 C ILE A 112 8.163 -3.964 -7.538 1.00 0.00 C ATOM 1759 O ILE A 112 7.871 -2.973 -8.206 1.00 0.00 O ATOM 1760 CB ILE A 112 9.810 -3.708 -5.681 1.00 0.00 C ATOM 1761 CG1 ILE A 112 9.982 -3.374 -4.197 1.00 0.00 C ATOM 1762 CG2 ILE A 112 10.441 -2.629 -6.549 1.00 0.00 C ATOM 1763 CD1 ILE A 112 11.428 -3.308 -3.756 1.00 0.00 C ATOM 0 H ILE A 112 8.326 -5.436 -4.632 1.00 0.00 H new ATOM 0 HA ILE A 112 7.774 -2.995 -5.661 1.00 0.00 H new ATOM 0 HB ILE A 112 10.317 -4.652 -5.883 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.504 -2.417 -3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.463 -4.125 -3.601 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.496 -2.528 -6.295 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.345 -2.905 -7.599 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.934 -1.680 -6.376 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.474 -3.067 -2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.906 -4.272 -3.930 1.00 0.00 H new ATOM 0 HD13 ILE A 112 11.947 -2.537 -4.326 1.00 0.00 H new ATOM 1775 N GLN A 113 8.358 -5.166 -8.071 1.00 0.00 N ATOM 1776 CA GLN A 113 8.239 -5.393 -9.506 1.00 0.00 C ATOM 1777 C GLN A 113 6.874 -4.945 -10.017 1.00 0.00 C ATOM 1778 O GLN A 113 6.773 -4.277 -11.046 1.00 0.00 O ATOM 1779 CB GLN A 113 8.458 -6.871 -9.830 1.00 0.00 C ATOM 1780 CG GLN A 113 9.846 -7.375 -9.467 1.00 0.00 C ATOM 1781 CD GLN A 113 10.292 -8.535 -10.335 1.00 0.00 C ATOM 1782 OE1 GLN A 113 9.495 -9.116 -11.072 1.00 0.00 O ATOM 1783 NE2 GLN A 113 11.571 -8.880 -10.251 1.00 0.00 N ATOM 0 H GLN A 113 8.599 -5.997 -7.531 1.00 0.00 H new ATOM 0 HA GLN A 113 9.006 -4.801 -10.006 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.714 -7.465 -9.298 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.290 -7.030 -10.895 1.00 0.00 H new ATOM 0 HG2 GLN A 113 10.561 -6.558 -9.563 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.854 -7.684 -8.422 1.00 0.00 H new ATOM 0 HE21 GLN A 113 12.197 -8.371 -9.627 1.00 0.00 H new ATOM 0 HE22 GLN A 113 11.928 -9.654 -10.811 1.00 0.00 H new ATOM 1792 N ALA A 114 5.825 -5.317 -9.291 1.00 0.00 N ATOM 1793 CA ALA A 114 4.465 -4.952 -9.669 1.00 0.00 C ATOM 1794 C ALA A 114 4.147 -3.519 -9.258 1.00 0.00 C ATOM 1795 O ALA A 114 3.748 -2.700 -10.085 1.00 0.00 O ATOM 1796 CB ALA A 114 3.467 -5.916 -9.045 1.00 0.00 C ATOM 0 H ALA A 114 5.891 -5.871 -8.437 1.00 0.00 H new ATOM 0 HA ALA A 114 4.386 -5.017 -10.754 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.456 -5.631 -9.336 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.673 -6.928 -9.392 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.556 -5.880 -7.959 1.00 0.00 H new ATOM 1802 N MET A 115 4.326 -3.222 -7.975 1.00 0.00 N ATOM 1803 CA MET A 115 4.057 -1.887 -7.455 1.00 0.00 C ATOM 1804 C MET A 115 4.953 -0.851 -8.127 1.00 0.00 C ATOM 1805 O MET A 115 4.469 0.070 -8.783 1.00 0.00 O ATOM 1806 CB MET A 115 4.269 -1.854 -5.940 1.00 0.00 C ATOM 1807 CG MET A 115 3.028 -2.226 -5.145 1.00 0.00 C ATOM 1808 SD MET A 115 3.020 -1.504 -3.492 1.00 0.00 S ATOM 1809 CE MET A 115 2.742 -2.961 -2.488 1.00 0.00 C ATOM 0 H MET A 115 4.656 -3.888 -7.277 1.00 0.00 H new ATOM 0 HA MET A 115 3.018 -1.641 -7.675 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.076 -2.538 -5.679 1.00 0.00 H new ATOM 0 HB3 MET A 115 4.592 -0.855 -5.648 1.00 0.00 H new ATOM 0 HG2 MET A 115 2.142 -1.895 -5.686 1.00 0.00 H new ATOM 0 HG3 MET A 115 2.965 -3.311 -5.064 1.00 0.00 H new ATOM 0 HE1 MET A 115 2.676 -2.673 -1.439 1.00 0.00 H new ATOM 0 HE2 MET A 115 1.811 -3.440 -2.792 1.00 0.00 H new ATOM 0 HE3 MET A 115 3.569 -3.658 -2.621 1.00 0.00 H new ATOM 1819 N GLY A 116 6.263 -1.009 -7.959 1.00 0.00 N ATOM 1820 CA GLY A 116 7.204 -0.080 -8.556 1.00 0.00 C ATOM 1821 C GLY A 116 6.842 0.276 -9.984 1.00 0.00 C ATOM 1822 O GLY A 116 6.701 1.451 -10.321 1.00 0.00 O ATOM 0 H GLY A 116 6.689 -1.763 -7.420 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.241 0.830 -7.957 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.203 -0.516 -8.536 1.00 0.00 H new ATOM 1826 N GLU A 117 6.691 -0.742 -10.826 1.00 0.00 N ATOM 1827 CA GLU A 117 6.346 -0.529 -12.227 1.00 0.00 C ATOM 1828 C GLU A 117 5.028 0.230 -12.352 1.00 0.00 C ATOM 1829 O GLU A 117 4.963 1.282 -12.988 1.00 0.00 O ATOM 1830 CB GLU A 117 6.247 -1.868 -12.960 1.00 0.00 C ATOM 1831 CG GLU A 117 7.591 -2.418 -13.406 1.00 0.00 C ATOM 1832 CD GLU A 117 8.706 -2.099 -12.429 1.00 0.00 C ATOM 1833 OE1 GLU A 117 9.069 -0.910 -12.312 1.00 0.00 O ATOM 1834 OE2 GLU A 117 9.214 -3.038 -11.781 1.00 0.00 O ATOM 0 H GLU A 117 6.802 -1.721 -10.563 1.00 0.00 H new ATOM 0 HA GLU A 117 7.135 0.069 -12.683 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.765 -2.595 -12.307 1.00 0.00 H new ATOM 0 HB3 GLU A 117 5.605 -1.748 -13.833 1.00 0.00 H new ATOM 0 HG2 GLU A 117 7.516 -3.499 -13.525 1.00 0.00 H new ATOM 0 HG3 GLU A 117 7.841 -2.007 -14.384 1.00 0.00 H new ATOM 1841 N ALA A 118 3.979 -0.311 -11.741 1.00 0.00 N ATOM 1842 CA ALA A 118 2.663 0.315 -11.783 1.00 0.00 C ATOM 1843 C ALA A 118 2.720 1.747 -11.262 1.00 0.00 C ATOM 1844 O ALA A 118 1.796 2.531 -11.475 1.00 0.00 O ATOM 1845 CB ALA A 118 1.664 -0.503 -10.978 1.00 0.00 C ATOM 0 H ALA A 118 4.015 -1.182 -11.211 1.00 0.00 H new ATOM 0 HA ALA A 118 2.336 0.347 -12.822 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.686 -0.024 -11.018 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.594 -1.507 -11.397 1.00 0.00 H new ATOM 0 HB3 ALA A 118 1.996 -0.565 -9.942 1.00 0.00 H new ATOM 1851 N ALA A 119 3.810 2.080 -10.578 1.00 0.00 N ATOM 1852 CA ALA A 119 3.987 3.418 -10.027 1.00 0.00 C ATOM 1853 C ALA A 119 4.583 4.363 -11.064 1.00 0.00 C ATOM 1854 O ALA A 119 4.173 5.519 -11.174 1.00 0.00 O ATOM 1855 CB ALA A 119 4.868 3.366 -8.788 1.00 0.00 C ATOM 0 H ALA A 119 4.584 1.442 -10.392 1.00 0.00 H new ATOM 0 HA ALA A 119 3.006 3.802 -9.745 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.992 4.372 -8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 119 4.401 2.730 -8.036 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.844 2.958 -9.052 1.00 0.00 H new ATOM 1861 N ARG A 120 5.554 3.865 -11.823 1.00 0.00 N ATOM 1862 CA ARG A 120 6.209 4.667 -12.850 1.00 0.00 C ATOM 1863 C ARG A 120 5.300 4.844 -14.063 1.00 0.00 C ATOM 1864 O ARG A 120 4.777 3.871 -14.607 1.00 0.00 O ATOM 1865 CB ARG A 120 7.524 4.013 -13.276 1.00 0.00 C ATOM 1866 CG ARG A 120 7.364 2.992 -14.391 1.00 0.00 C ATOM 1867 CD ARG A 120 8.525 2.011 -14.418 1.00 0.00 C ATOM 1868 NE ARG A 120 8.560 1.237 -15.656 1.00 0.00 N ATOM 1869 CZ ARG A 120 9.079 1.691 -16.791 1.00 0.00 C ATOM 1870 NH1 ARG A 120 9.606 2.906 -16.844 1.00 0.00 N ATOM 1871 NH2 ARG A 120 9.073 0.927 -17.877 1.00 0.00 N ATOM 0 H ARG A 120 5.904 2.910 -11.746 1.00 0.00 H new ATOM 0 HA ARG A 120 6.420 5.650 -12.429 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.217 4.789 -13.602 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.975 3.526 -12.411 1.00 0.00 H new ATOM 0 HG2 ARG A 120 6.429 2.448 -14.256 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.298 3.506 -15.350 1.00 0.00 H new ATOM 0 HD2 ARG A 120 9.462 2.556 -14.305 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.446 1.333 -13.569 1.00 0.00 H new ATOM 0 HE ARG A 120 8.164 0.297 -15.648 1.00 0.00 H new ATOM 0 HH11 ARG A 120 9.614 3.495 -16.011 1.00 0.00 H new ATOM 0 HH12 ARG A 120 10.004 3.252 -17.717 1.00 0.00 H new ATOM 0 HH21 ARG A 120 8.670 -0.009 -17.840 1.00 0.00 H new ATOM 0 HH22 ARG A 120 9.472 1.276 -18.748 1.00 0.00 H new