USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 639 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 TYR OH : rot 30:sc= 0.0183 USER MOD Set 1.2: A 92 SER OG : rot -159:sc= 0.0173 USER MOD Set 2.1: A 81 GLN : amide:sc= 0.0996 K(o=0.51,f=-0.46) USER MOD Set 2.2: A 86 TYR OH : rot -86:sc= 0.413 USER MOD Set 3.1: A 22 GLN : amide:sc= -0.0923 X(o=-0.092,f=0.35) USER MOD Set 3.2: A 61 SER OG : rot -130:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 101:sc= 0.0329 USER MOD Single : A 46 SER OG : rot 28:sc= 0.273 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 146:sc= 0.792 (180deg=0.214) USER MOD Single : A 52 GLN : amide:sc= -0.117 K(o=-0.12,f=-2!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -4.69! C(o=-4.7!,f=-4.2!) USER MOD Single : A 73 CYS SG : rot -52:sc= -0.348 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 89 GLN : amide:sc= 0.0452 X(o=0.045,f=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 95 HIS : no HD1:sc= -1.77 X(o=-1.8,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 136 N TRP A 13 -6.325 -12.454 0.366 1.00 0.00 N ATOM 137 CA TRP A 13 -6.111 -11.273 -0.462 1.00 0.00 C ATOM 138 C TRP A 13 -4.681 -10.762 -0.320 1.00 0.00 C ATOM 139 O TRP A 13 -4.239 -10.422 0.777 1.00 0.00 O ATOM 140 CB TRP A 13 -7.100 -10.171 -0.080 1.00 0.00 C ATOM 141 CG TRP A 13 -6.885 -8.893 -0.834 1.00 0.00 C ATOM 142 CD1 TRP A 13 -5.851 -8.015 -0.680 1.00 0.00 C ATOM 143 CD2 TRP A 13 -7.726 -8.351 -1.858 1.00 0.00 C ATOM 144 NE1 TRP A 13 -5.999 -6.958 -1.547 1.00 0.00 N ATOM 145 CE2 TRP A 13 -7.141 -7.142 -2.281 1.00 0.00 C ATOM 146 CE3 TRP A 13 -8.916 -8.770 -2.460 1.00 0.00 C ATOM 147 CZ2 TRP A 13 -7.706 -6.349 -3.276 1.00 0.00 C ATOM 148 CZ3 TRP A 13 -9.476 -7.982 -3.447 1.00 0.00 C ATOM 149 CH2 TRP A 13 -8.871 -6.784 -3.848 1.00 0.00 C ATOM 0 HA TRP A 13 -6.276 -11.554 -1.502 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -8.115 -10.525 -0.261 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.017 -9.973 0.989 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -5.037 -8.133 0.020 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.362 -6.166 -1.630 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -9.389 -9.693 -2.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.242 -5.424 -3.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -10.396 -8.295 -3.918 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -9.333 -6.192 -4.624 1.00 0.00 H new ATOM 160 N HIS A 14 -3.963 -10.709 -1.438 1.00 0.00 N ATOM 161 CA HIS A 14 -2.582 -10.238 -1.437 1.00 0.00 C ATOM 162 C HIS A 14 -2.363 -9.199 -2.533 1.00 0.00 C ATOM 163 O HIS A 14 -3.122 -9.131 -3.500 1.00 0.00 O ATOM 164 CB HIS A 14 -1.621 -11.411 -1.630 1.00 0.00 C ATOM 165 CG HIS A 14 -1.386 -11.763 -3.067 1.00 0.00 C ATOM 166 ND1 HIS A 14 -2.338 -12.370 -3.858 1.00 0.00 N ATOM 167 CD2 HIS A 14 -0.300 -11.587 -3.856 1.00 0.00 C ATOM 168 CE1 HIS A 14 -1.847 -12.555 -5.071 1.00 0.00 C ATOM 169 NE2 HIS A 14 -0.612 -12.088 -5.096 1.00 0.00 N ATOM 0 H HIS A 14 -4.314 -10.986 -2.355 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.383 -9.771 -0.472 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.666 -11.168 -1.163 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.017 -12.284 -1.111 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.637 -11.136 -3.564 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.367 -13.011 -5.901 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.009 -12.098 -5.905 1.00 0.00 H new ATOM 178 N LEU A 15 -1.320 -8.391 -2.375 1.00 0.00 N ATOM 179 CA LEU A 15 -1.001 -7.355 -3.350 1.00 0.00 C ATOM 180 C LEU A 15 0.508 -7.159 -3.462 1.00 0.00 C ATOM 181 O LEU A 15 1.250 -7.426 -2.518 1.00 0.00 O ATOM 182 CB LEU A 15 -1.670 -6.036 -2.960 1.00 0.00 C ATOM 183 CG LEU A 15 -1.972 -5.071 -4.108 1.00 0.00 C ATOM 184 CD1 LEU A 15 -3.173 -5.551 -4.908 1.00 0.00 C ATOM 185 CD2 LEU A 15 -2.211 -3.666 -3.574 1.00 0.00 C ATOM 0 H LEU A 15 -0.681 -8.434 -1.581 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.381 -7.675 -4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.605 -6.263 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.029 -5.525 -2.242 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.108 -5.044 -4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.372 -4.852 -5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.964 -6.537 -5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.045 -5.608 -4.256 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.424 -2.993 -4.404 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.058 -3.677 -2.888 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.322 -3.321 -3.046 1.00 0.00 H new ATOM 197 N ALA A 16 0.954 -6.688 -4.623 1.00 0.00 N ATOM 198 CA ALA A 16 2.373 -6.452 -4.857 1.00 0.00 C ATOM 199 C ALA A 16 2.735 -4.992 -4.607 1.00 0.00 C ATOM 200 O ALA A 16 1.896 -4.102 -4.747 1.00 0.00 O ATOM 201 CB ALA A 16 2.748 -6.857 -6.275 1.00 0.00 C ATOM 0 H ALA A 16 0.353 -6.463 -5.415 1.00 0.00 H new ATOM 0 HA ALA A 16 2.939 -7.064 -4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.811 -6.675 -6.436 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.535 -7.916 -6.419 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.168 -6.270 -6.987 1.00 0.00 H new ATOM 207 N VAL A 17 3.989 -4.753 -4.237 1.00 0.00 N ATOM 208 CA VAL A 17 4.462 -3.401 -3.968 1.00 0.00 C ATOM 209 C VAL A 17 5.867 -3.190 -4.522 1.00 0.00 C ATOM 210 O VAL A 17 6.741 -4.043 -4.370 1.00 0.00 O ATOM 211 CB VAL A 17 4.467 -3.097 -2.458 1.00 0.00 C ATOM 212 CG1 VAL A 17 4.913 -1.666 -2.202 1.00 0.00 C ATOM 213 CG2 VAL A 17 3.091 -3.350 -1.860 1.00 0.00 C ATOM 0 H VAL A 17 4.696 -5.479 -4.117 1.00 0.00 H new ATOM 0 HA VAL A 17 3.772 -2.720 -4.466 1.00 0.00 H new ATOM 0 HB VAL A 17 5.178 -3.766 -1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.910 -1.470 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.920 -1.523 -2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.229 -0.977 -2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.112 -3.130 -0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.358 -2.707 -2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.815 -4.394 -2.010 1.00 0.00 H new ATOM 223 N LYS A 18 6.078 -2.046 -5.165 1.00 0.00 N ATOM 224 CA LYS A 18 7.377 -1.720 -5.741 1.00 0.00 C ATOM 225 C LYS A 18 7.804 -0.307 -5.356 1.00 0.00 C ATOM 226 O LYS A 18 6.976 0.601 -5.271 1.00 0.00 O ATOM 227 CB LYS A 18 7.330 -1.852 -7.265 1.00 0.00 C ATOM 228 CG LYS A 18 7.350 -3.291 -7.752 1.00 0.00 C ATOM 229 CD LYS A 18 8.712 -3.931 -7.541 1.00 0.00 C ATOM 230 CE LYS A 18 9.805 -3.172 -8.278 1.00 0.00 C ATOM 231 NZ LYS A 18 10.969 -4.045 -8.595 1.00 0.00 N ATOM 0 H LYS A 18 5.365 -1.329 -5.300 1.00 0.00 H new ATOM 0 HA LYS A 18 8.109 -2.423 -5.344 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.429 -1.364 -7.636 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.179 -1.320 -7.694 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.591 -3.866 -7.222 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.092 -3.322 -8.811 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.941 -3.958 -6.476 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.687 -4.964 -7.888 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.400 -2.757 -9.201 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.137 -2.331 -7.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.692 -3.491 -9.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.372 -4.421 -7.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.658 -4.834 -9.197 1.00 0.00 H new ATOM 245 N LEU A 19 9.099 -0.128 -5.124 1.00 0.00 N ATOM 246 CA LEU A 19 9.637 1.175 -4.749 1.00 0.00 C ATOM 247 C LEU A 19 9.940 2.016 -5.985 1.00 0.00 C ATOM 248 O LEU A 19 10.825 1.683 -6.773 1.00 0.00 O ATOM 249 CB LEU A 19 10.905 1.004 -3.911 1.00 0.00 C ATOM 250 CG LEU A 19 11.185 2.103 -2.885 1.00 0.00 C ATOM 251 CD1 LEU A 19 9.933 2.411 -2.079 1.00 0.00 C ATOM 252 CD2 LEU A 19 12.327 1.695 -1.966 1.00 0.00 C ATOM 0 H LEU A 19 9.797 -0.869 -5.189 1.00 0.00 H new ATOM 0 HA LEU A 19 8.884 1.693 -4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.843 0.051 -3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.757 0.940 -4.587 1.00 0.00 H new ATOM 0 HG LEU A 19 11.480 3.007 -3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.151 3.195 -1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.142 2.746 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.608 1.512 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.513 2.489 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.061 0.779 -1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.227 1.525 -2.557 1.00 0.00 H new ATOM 264 N ALA A 20 9.200 3.108 -6.148 1.00 0.00 N ATOM 265 CA ALA A 20 9.392 3.998 -7.286 1.00 0.00 C ATOM 266 C ALA A 20 10.743 4.701 -7.211 1.00 0.00 C ATOM 267 O ALA A 20 11.318 5.072 -8.234 1.00 0.00 O ATOM 268 CB ALA A 20 8.267 5.020 -7.353 1.00 0.00 C ATOM 0 H ALA A 20 8.462 3.397 -5.506 1.00 0.00 H new ATOM 0 HA ALA A 20 9.375 3.395 -8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.424 5.678 -8.208 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.313 4.504 -7.462 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.257 5.611 -6.437 1.00 0.00 H new ATOM 274 N ASP A 21 11.245 4.880 -5.994 1.00 0.00 N ATOM 275 CA ASP A 21 12.529 5.538 -5.786 1.00 0.00 C ATOM 276 C ASP A 21 13.681 4.562 -5.999 1.00 0.00 C ATOM 277 O ASP A 21 14.778 4.958 -6.394 1.00 0.00 O ATOM 278 CB ASP A 21 12.601 6.130 -4.377 1.00 0.00 C ATOM 279 CG ASP A 21 11.778 5.343 -3.376 1.00 0.00 C ATOM 280 OD1 ASP A 21 10.541 5.283 -3.541 1.00 0.00 O ATOM 281 OD2 ASP A 21 12.371 4.787 -2.428 1.00 0.00 O ATOM 0 H ASP A 21 10.782 4.578 -5.137 1.00 0.00 H new ATOM 0 HA ASP A 21 12.618 6.343 -6.516 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.640 6.155 -4.049 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.250 7.162 -4.401 1.00 0.00 H new ATOM 286 N GLN A 22 13.425 3.285 -5.735 1.00 0.00 N ATOM 287 CA GLN A 22 14.441 2.252 -5.897 1.00 0.00 C ATOM 288 C GLN A 22 13.947 1.141 -6.819 1.00 0.00 C ATOM 289 O GLN A 22 13.367 0.149 -6.379 1.00 0.00 O ATOM 290 CB GLN A 22 14.827 1.669 -4.537 1.00 0.00 C ATOM 291 CG GLN A 22 15.299 2.713 -3.538 1.00 0.00 C ATOM 292 CD GLN A 22 16.279 2.153 -2.527 1.00 0.00 C ATOM 293 OE1 GLN A 22 17.472 2.026 -2.806 1.00 0.00 O ATOM 294 NE2 GLN A 22 15.781 1.816 -1.343 1.00 0.00 N ATOM 0 H GLN A 22 12.522 2.941 -5.408 1.00 0.00 H new ATOM 0 HA GLN A 22 15.320 2.711 -6.350 1.00 0.00 H new ATOM 0 HB2 GLN A 22 13.969 1.142 -4.120 1.00 0.00 H new ATOM 0 HB3 GLN A 22 15.616 0.931 -4.679 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.768 3.538 -4.075 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.437 3.124 -3.013 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.786 1.938 -1.155 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.393 1.435 -0.622 1.00 0.00 H new ATOM 303 N PRO A 23 14.181 1.311 -8.128 1.00 0.00 N ATOM 304 CA PRO A 23 13.768 0.333 -9.139 1.00 0.00 C ATOM 305 C PRO A 23 14.577 -0.958 -9.062 1.00 0.00 C ATOM 306 O PRO A 23 14.296 -1.922 -9.775 1.00 0.00 O ATOM 307 CB PRO A 23 14.038 1.054 -10.462 1.00 0.00 C ATOM 308 CG PRO A 23 15.108 2.040 -10.144 1.00 0.00 C ATOM 309 CD PRO A 23 14.867 2.470 -8.724 1.00 0.00 C ATOM 0 HA PRO A 23 12.730 0.027 -9.009 1.00 0.00 H new ATOM 0 HB2 PRO A 23 14.360 0.356 -11.235 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.141 1.549 -10.833 1.00 0.00 H new ATOM 0 HG2 PRO A 23 16.096 1.593 -10.254 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.067 2.892 -10.822 1.00 0.00 H new ATOM 0 HD2 PRO A 23 15.801 2.693 -8.208 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.253 3.369 -8.675 1.00 0.00 H new ATOM 317 N LEU A 24 15.581 -0.970 -8.192 1.00 0.00 N ATOM 318 CA LEU A 24 16.431 -2.143 -8.021 1.00 0.00 C ATOM 319 C LEU A 24 16.026 -2.932 -6.781 1.00 0.00 C ATOM 320 O LEU A 24 16.173 -4.153 -6.735 1.00 0.00 O ATOM 321 CB LEU A 24 17.898 -1.723 -7.916 1.00 0.00 C ATOM 322 CG LEU A 24 18.393 -0.740 -8.978 1.00 0.00 C ATOM 323 CD1 LEU A 24 19.628 0.000 -8.486 1.00 0.00 C ATOM 324 CD2 LEU A 24 18.689 -1.467 -10.281 1.00 0.00 C ATOM 0 H LEU A 24 15.826 -0.181 -7.594 1.00 0.00 H new ATOM 0 HA LEU A 24 16.305 -2.784 -8.894 1.00 0.00 H new ATOM 0 HB2 LEU A 24 18.058 -1.277 -6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 24 18.516 -2.620 -7.963 1.00 0.00 H new ATOM 0 HG LEU A 24 17.606 -0.009 -9.164 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.966 0.695 -9.255 1.00 0.00 H new ATOM 0 HD12 LEU A 24 19.384 0.553 -7.579 1.00 0.00 H new ATOM 0 HD13 LEU A 24 20.420 -0.717 -8.271 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.040 -0.752 -11.025 1.00 0.00 H new ATOM 0 HD22 LEU A 24 19.458 -2.220 -10.111 1.00 0.00 H new ATOM 0 HD23 LEU A 24 17.781 -1.950 -10.642 1.00 0.00 H new ATOM 336 N ALA A 25 15.513 -2.227 -5.778 1.00 0.00 N ATOM 337 CA ALA A 25 15.083 -2.862 -4.539 1.00 0.00 C ATOM 338 C ALA A 25 14.138 -4.026 -4.818 1.00 0.00 C ATOM 339 O ALA A 25 13.455 -4.071 -5.841 1.00 0.00 O ATOM 340 CB ALA A 25 14.413 -1.844 -3.628 1.00 0.00 C ATOM 0 H ALA A 25 15.385 -1.215 -5.800 1.00 0.00 H new ATOM 0 HA ALA A 25 15.966 -3.257 -4.037 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.097 -2.333 -2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 25 15.118 -1.047 -3.393 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.543 -1.422 -4.131 1.00 0.00 H new ATOM 346 N PRO A 26 14.097 -4.992 -3.889 1.00 0.00 N ATOM 347 CA PRO A 26 13.239 -6.175 -4.013 1.00 0.00 C ATOM 348 C PRO A 26 11.760 -5.836 -3.867 1.00 0.00 C ATOM 349 O PRO A 26 11.403 -4.743 -3.425 1.00 0.00 O ATOM 350 CB PRO A 26 13.699 -7.070 -2.860 1.00 0.00 C ATOM 351 CG PRO A 26 14.272 -6.130 -1.856 1.00 0.00 C ATOM 352 CD PRO A 26 14.884 -5.005 -2.644 1.00 0.00 C ATOM 0 HA PRO A 26 13.328 -6.642 -4.994 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.867 -7.636 -2.442 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.442 -7.794 -3.193 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.499 -5.759 -1.183 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.021 -6.627 -1.239 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.811 -4.056 -2.113 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.942 -5.180 -2.839 1.00 0.00 H new ATOM 360 N LYS A 27 10.902 -6.779 -4.240 1.00 0.00 N ATOM 361 CA LYS A 27 9.460 -6.582 -4.149 1.00 0.00 C ATOM 362 C LYS A 27 8.950 -6.931 -2.755 1.00 0.00 C ATOM 363 O LYS A 27 9.518 -7.783 -2.071 1.00 0.00 O ATOM 364 CB LYS A 27 8.741 -7.437 -5.195 1.00 0.00 C ATOM 365 CG LYS A 27 7.232 -7.264 -5.188 1.00 0.00 C ATOM 366 CD LYS A 27 6.634 -7.531 -6.560 1.00 0.00 C ATOM 367 CE LYS A 27 6.570 -9.021 -6.859 1.00 0.00 C ATOM 368 NZ LYS A 27 5.943 -9.294 -8.182 1.00 0.00 N ATOM 0 H LYS A 27 11.180 -7.688 -4.609 1.00 0.00 H new ATOM 0 HA LYS A 27 9.250 -5.530 -4.341 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.123 -7.184 -6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.979 -8.486 -5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.790 -7.943 -4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.982 -6.251 -4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.632 -7.105 -6.611 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.232 -7.031 -7.322 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.577 -9.439 -6.841 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.002 -9.524 -6.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.918 -10.320 -8.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.973 -8.918 -8.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.499 -8.835 -8.931 1.00 0.00 H new ATOM 382 N SER A 28 7.874 -6.270 -2.340 1.00 0.00 N ATOM 383 CA SER A 28 7.289 -6.509 -1.026 1.00 0.00 C ATOM 384 C SER A 28 5.827 -6.926 -1.150 1.00 0.00 C ATOM 385 O SER A 28 4.986 -6.151 -1.606 1.00 0.00 O ATOM 386 CB SER A 28 7.402 -5.254 -0.158 1.00 0.00 C ATOM 387 OG SER A 28 8.688 -5.152 0.428 1.00 0.00 O ATOM 0 H SER A 28 7.390 -5.565 -2.895 1.00 0.00 H new ATOM 0 HA SER A 28 7.841 -7.321 -0.552 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.204 -4.370 -0.764 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.644 -5.280 0.624 1.00 0.00 H new ATOM 0 HG SER A 28 8.734 -4.341 0.976 1.00 0.00 H new ATOM 393 N ILE A 29 5.532 -8.155 -0.740 1.00 0.00 N ATOM 394 CA ILE A 29 4.172 -8.675 -0.804 1.00 0.00 C ATOM 395 C ILE A 29 3.390 -8.325 0.457 1.00 0.00 C ATOM 396 O ILE A 29 3.707 -8.798 1.549 1.00 0.00 O ATOM 397 CB ILE A 29 4.162 -10.204 -0.993 1.00 0.00 C ATOM 398 CG1 ILE A 29 4.932 -10.588 -2.258 1.00 0.00 C ATOM 399 CG2 ILE A 29 2.733 -10.720 -1.058 1.00 0.00 C ATOM 400 CD1 ILE A 29 4.258 -10.137 -3.535 1.00 0.00 C ATOM 0 H ILE A 29 6.216 -8.809 -0.360 1.00 0.00 H new ATOM 0 HA ILE A 29 3.696 -8.207 -1.666 1.00 0.00 H new ATOM 0 HB ILE A 29 4.655 -10.665 -0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.931 -10.155 -2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.055 -11.671 -2.284 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.742 -11.802 -1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.215 -10.473 -0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.216 -10.255 -1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.859 -10.443 -4.391 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.270 -10.591 -3.605 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.159 -9.051 -3.530 1.00 0.00 H new ATOM 412 N LEU A 30 2.365 -7.494 0.299 1.00 0.00 N ATOM 413 CA LEU A 30 1.534 -7.081 1.425 1.00 0.00 C ATOM 414 C LEU A 30 0.183 -7.789 1.393 1.00 0.00 C ATOM 415 O LEU A 30 -0.405 -7.975 0.328 1.00 0.00 O ATOM 416 CB LEU A 30 1.329 -5.566 1.404 1.00 0.00 C ATOM 417 CG LEU A 30 0.552 -4.977 2.581 1.00 0.00 C ATOM 418 CD1 LEU A 30 1.495 -4.620 3.719 1.00 0.00 C ATOM 419 CD2 LEU A 30 -0.240 -3.755 2.140 1.00 0.00 C ATOM 0 H LEU A 30 2.090 -7.093 -0.598 1.00 0.00 H new ATOM 0 HA LEU A 30 2.048 -7.359 2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.308 -5.088 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.809 -5.303 0.483 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.150 -5.730 2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.923 -4.202 4.548 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.017 -5.516 4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.222 -3.885 3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.787 -3.349 2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.443 -2.999 1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.945 -4.041 1.359 1.00 0.00 H new ATOM 431 N GLN A 31 -0.303 -8.178 2.567 1.00 0.00 N ATOM 432 CA GLN A 31 -1.585 -8.864 2.673 1.00 0.00 C ATOM 433 C GLN A 31 -2.488 -8.175 3.691 1.00 0.00 C ATOM 434 O GLN A 31 -2.306 -8.325 4.900 1.00 0.00 O ATOM 435 CB GLN A 31 -1.374 -10.327 3.068 1.00 0.00 C ATOM 436 CG GLN A 31 -0.642 -11.142 2.015 1.00 0.00 C ATOM 437 CD GLN A 31 -0.394 -12.572 2.452 1.00 0.00 C ATOM 438 OE1 GLN A 31 -1.130 -13.485 2.076 1.00 0.00 O ATOM 439 NE2 GLN A 31 0.647 -12.775 3.251 1.00 0.00 N ATOM 0 H GLN A 31 0.171 -8.030 3.458 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.071 -8.825 1.698 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.811 -10.365 4.001 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.344 -10.786 3.261 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.224 -11.144 1.093 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.312 -10.664 1.789 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.231 -11.989 3.538 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.863 -13.717 3.578 1.00 0.00 H new ATOM 448 N LEU A 32 -3.461 -7.420 3.195 1.00 0.00 N ATOM 449 CA LEU A 32 -4.394 -6.706 4.062 1.00 0.00 C ATOM 450 C LEU A 32 -5.232 -7.683 4.880 1.00 0.00 C ATOM 451 O LEU A 32 -5.489 -8.815 4.469 1.00 0.00 O ATOM 452 CB LEU A 32 -5.307 -5.805 3.230 1.00 0.00 C ATOM 453 CG LEU A 32 -6.132 -6.502 2.147 1.00 0.00 C ATOM 454 CD1 LEU A 32 -7.456 -6.988 2.715 1.00 0.00 C ATOM 455 CD2 LEU A 32 -6.365 -5.566 0.970 1.00 0.00 C ATOM 0 H LEU A 32 -3.625 -7.286 2.197 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.814 -6.089 4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.991 -5.292 3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.694 -5.039 2.755 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.573 -7.368 1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.029 -7.481 1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.268 -7.693 3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.021 -6.138 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.954 -6.078 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.903 -4.681 1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.406 -5.268 0.547 1.00 0.00 H new ATOM 467 N PRO A 33 -5.673 -7.236 6.066 1.00 0.00 N ATOM 468 CA PRO A 33 -6.492 -8.054 6.965 1.00 0.00 C ATOM 469 C PRO A 33 -7.897 -8.286 6.420 1.00 0.00 C ATOM 470 O PRO A 33 -8.313 -7.640 5.459 1.00 0.00 O ATOM 471 CB PRO A 33 -6.546 -7.223 8.249 1.00 0.00 C ATOM 472 CG PRO A 33 -6.332 -5.819 7.801 1.00 0.00 C ATOM 473 CD PRO A 33 -5.405 -5.898 6.619 1.00 0.00 C ATOM 0 HA PRO A 33 -6.074 -9.051 7.104 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.506 -7.336 8.753 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.776 -7.535 8.955 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.276 -5.349 7.526 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.897 -5.217 8.599 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.613 -5.113 5.892 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.362 -5.788 6.918 1.00 0.00 H new ATOM 598 N LEU A 42 -14.079 -6.938 -2.072 1.00 0.00 N ATOM 599 CA LEU A 42 -14.155 -5.917 -1.033 1.00 0.00 C ATOM 600 C LEU A 42 -14.876 -4.674 -1.544 1.00 0.00 C ATOM 601 O LEU A 42 -15.904 -4.273 -1.000 1.00 0.00 O ATOM 602 CB LEU A 42 -12.751 -5.545 -0.552 1.00 0.00 C ATOM 603 CG LEU A 42 -11.776 -6.708 -0.365 1.00 0.00 C ATOM 604 CD1 LEU A 42 -10.445 -6.206 0.173 1.00 0.00 C ATOM 605 CD2 LEU A 42 -12.368 -7.756 0.566 1.00 0.00 C ATOM 0 HA LEU A 42 -14.722 -6.326 -0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.318 -4.845 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.842 -5.017 0.397 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.602 -7.171 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.763 -7.047 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.014 -5.493 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.602 -5.718 1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.660 -8.576 0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -12.572 -7.306 1.538 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.296 -8.138 0.141 1.00 0.00 H new ATOM 617 N GLY A 43 -14.330 -4.068 -2.594 1.00 0.00 N ATOM 618 CA GLY A 43 -14.935 -2.878 -3.161 1.00 0.00 C ATOM 619 C GLY A 43 -15.471 -1.937 -2.100 1.00 0.00 C ATOM 620 O GLY A 43 -16.682 -1.762 -1.970 1.00 0.00 O ATOM 0 H GLY A 43 -13.479 -4.381 -3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.197 -2.353 -3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -15.747 -3.169 -3.827 1.00 0.00 H new ATOM 624 N GLY A 44 -14.566 -1.331 -1.337 1.00 0.00 N ATOM 625 CA GLY A 44 -14.974 -0.412 -0.290 1.00 0.00 C ATOM 626 C GLY A 44 -13.794 0.168 0.464 1.00 0.00 C ATOM 627 O GLY A 44 -13.867 1.283 0.981 1.00 0.00 O ATOM 0 H GLY A 44 -13.558 -1.460 -1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -15.555 0.399 -0.729 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.629 -0.931 0.410 1.00 0.00 H new ATOM 631 N TYR A 45 -12.705 -0.590 0.528 1.00 0.00 N ATOM 632 CA TYR A 45 -11.506 -0.146 1.228 1.00 0.00 C ATOM 633 C TYR A 45 -11.052 1.220 0.720 1.00 0.00 C ATOM 634 O TYR A 45 -11.147 1.514 -0.471 1.00 0.00 O ATOM 635 CB TYR A 45 -10.380 -1.167 1.053 1.00 0.00 C ATOM 636 CG TYR A 45 -10.354 -2.229 2.129 1.00 0.00 C ATOM 637 CD1 TYR A 45 -11.227 -3.310 2.087 1.00 0.00 C ATOM 638 CD2 TYR A 45 -9.456 -2.153 3.187 1.00 0.00 C ATOM 639 CE1 TYR A 45 -11.207 -4.282 3.068 1.00 0.00 C ATOM 640 CE2 TYR A 45 -9.429 -3.122 4.171 1.00 0.00 C ATOM 641 CZ TYR A 45 -10.306 -4.184 4.108 1.00 0.00 C ATOM 642 OH TYR A 45 -10.282 -5.152 5.086 1.00 0.00 O ATOM 0 H TYR A 45 -12.628 -1.514 0.104 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.747 -0.058 2.287 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.485 -1.649 0.081 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.424 -0.644 1.047 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -11.933 -3.391 1.274 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.768 -1.322 3.241 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -11.893 -5.115 3.021 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.724 -3.048 4.986 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.538 -5.768 4.918 1.00 0.00 H new ATOM 652 N SER A 46 -10.558 2.049 1.634 1.00 0.00 N ATOM 653 CA SER A 46 -10.092 3.385 1.281 1.00 0.00 C ATOM 654 C SER A 46 -8.585 3.390 1.047 1.00 0.00 C ATOM 655 O SER A 46 -7.812 2.946 1.896 1.00 0.00 O ATOM 656 CB SER A 46 -10.452 4.382 2.384 1.00 0.00 C ATOM 657 OG SER A 46 -9.837 4.029 3.611 1.00 0.00 O ATOM 0 H SER A 46 -10.470 1.819 2.624 1.00 0.00 H new ATOM 0 HA SER A 46 -10.587 3.683 0.357 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.137 5.383 2.090 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.534 4.413 2.512 1.00 0.00 H new ATOM 0 HG SER A 46 -9.007 3.539 3.432 1.00 0.00 H new ATOM 663 N ILE A 47 -8.174 3.896 -0.112 1.00 0.00 N ATOM 664 CA ILE A 47 -6.760 3.960 -0.458 1.00 0.00 C ATOM 665 C ILE A 47 -5.905 4.247 0.772 1.00 0.00 C ATOM 666 O ILE A 47 -4.918 3.558 1.029 1.00 0.00 O ATOM 667 CB ILE A 47 -6.489 5.041 -1.521 1.00 0.00 C ATOM 668 CG1 ILE A 47 -7.096 4.630 -2.864 1.00 0.00 C ATOM 669 CG2 ILE A 47 -4.994 5.283 -1.661 1.00 0.00 C ATOM 670 CD1 ILE A 47 -6.524 3.343 -3.417 1.00 0.00 C ATOM 0 H ILE A 47 -8.800 4.267 -0.826 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.491 2.986 -0.865 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.959 5.971 -1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.174 4.518 -2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.935 5.430 -3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.819 6.049 -2.416 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.588 5.615 -0.705 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.502 4.358 -1.962 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.000 3.113 -4.370 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.450 3.456 -3.566 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.709 2.531 -2.714 1.00 0.00 H new ATOM 682 N SER A 48 -6.293 5.268 1.530 1.00 0.00 N ATOM 683 CA SER A 48 -5.561 5.648 2.733 1.00 0.00 C ATOM 684 C SER A 48 -5.093 4.413 3.497 1.00 0.00 C ATOM 685 O SER A 48 -3.905 4.259 3.782 1.00 0.00 O ATOM 686 CB SER A 48 -6.438 6.518 3.635 1.00 0.00 C ATOM 687 OG SER A 48 -5.655 7.213 4.591 1.00 0.00 O ATOM 0 H SER A 48 -7.110 5.847 1.333 1.00 0.00 H new ATOM 0 HA SER A 48 -4.684 6.220 2.430 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.994 7.232 3.028 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.172 5.894 4.145 1.00 0.00 H new ATOM 0 HG SER A 48 -6.239 7.763 5.154 1.00 0.00 H new ATOM 693 N PHE A 49 -6.035 3.536 3.825 1.00 0.00 N ATOM 694 CA PHE A 49 -5.721 2.314 4.557 1.00 0.00 C ATOM 695 C PHE A 49 -4.442 1.675 4.024 1.00 0.00 C ATOM 696 O PHE A 49 -3.429 1.613 4.721 1.00 0.00 O ATOM 697 CB PHE A 49 -6.881 1.321 4.456 1.00 0.00 C ATOM 698 CG PHE A 49 -6.776 0.176 5.422 1.00 0.00 C ATOM 699 CD1 PHE A 49 -6.658 0.410 6.783 1.00 0.00 C ATOM 700 CD2 PHE A 49 -6.796 -1.133 4.970 1.00 0.00 C ATOM 701 CE1 PHE A 49 -6.560 -0.642 7.674 1.00 0.00 C ATOM 702 CE2 PHE A 49 -6.699 -2.189 5.856 1.00 0.00 C ATOM 703 CZ PHE A 49 -6.582 -1.943 7.210 1.00 0.00 C ATOM 0 H PHE A 49 -7.023 3.648 3.596 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.567 2.576 5.604 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.818 1.850 4.632 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.924 0.927 3.441 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.642 1.425 7.151 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.889 -1.331 3.912 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.466 -0.447 8.732 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.715 -3.205 5.490 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.508 -2.766 7.905 1.00 0.00 H new ATOM 713 N LEU A 50 -4.497 1.200 2.785 1.00 0.00 N ATOM 714 CA LEU A 50 -3.344 0.564 2.157 1.00 0.00 C ATOM 715 C LEU A 50 -2.077 1.382 2.390 1.00 0.00 C ATOM 716 O LEU A 50 -1.094 0.883 2.937 1.00 0.00 O ATOM 717 CB LEU A 50 -3.585 0.393 0.656 1.00 0.00 C ATOM 718 CG LEU A 50 -4.328 -0.876 0.237 1.00 0.00 C ATOM 719 CD1 LEU A 50 -4.635 -0.847 -1.252 1.00 0.00 C ATOM 720 CD2 LEU A 50 -3.516 -2.112 0.592 1.00 0.00 C ATOM 0 H LEU A 50 -5.328 1.243 2.195 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.210 -0.418 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.148 1.255 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.620 0.410 0.149 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.271 -0.918 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.164 -1.758 -1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.258 0.018 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.704 -0.781 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.061 -3.005 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.557 -2.078 0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.348 -2.140 1.669 1.00 0.00 H new ATOM 732 N LYS A 51 -2.109 2.643 1.972 1.00 0.00 N ATOM 733 CA LYS A 51 -0.966 3.533 2.138 1.00 0.00 C ATOM 734 C LYS A 51 -0.316 3.337 3.504 1.00 0.00 C ATOM 735 O LYS A 51 0.869 3.615 3.683 1.00 0.00 O ATOM 736 CB LYS A 51 -1.400 4.991 1.973 1.00 0.00 C ATOM 737 CG LYS A 51 -1.581 5.412 0.525 1.00 0.00 C ATOM 738 CD LYS A 51 -2.354 6.715 0.415 1.00 0.00 C ATOM 739 CE LYS A 51 -1.952 7.500 -0.825 1.00 0.00 C ATOM 740 NZ LYS A 51 -2.119 8.967 -0.631 1.00 0.00 N ATOM 0 H LYS A 51 -2.914 3.072 1.516 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.234 3.289 1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.338 5.145 2.507 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.657 5.637 2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.605 5.526 0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.108 4.628 -0.019 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.423 6.503 0.382 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.176 7.321 1.304 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.913 7.282 -1.072 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.556 7.175 -1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.376 9.473 -1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.052 9.260 -0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.046 9.194 0.381 1.00 0.00 H new ATOM 754 N GLN A 52 -1.100 2.855 4.463 1.00 0.00 N ATOM 755 CA GLN A 52 -0.600 2.621 5.812 1.00 0.00 C ATOM 756 C GLN A 52 0.025 1.234 5.928 1.00 0.00 C ATOM 757 O GLN A 52 1.098 1.072 6.511 1.00 0.00 O ATOM 758 CB GLN A 52 -1.731 2.770 6.831 1.00 0.00 C ATOM 759 CG GLN A 52 -2.433 4.117 6.768 1.00 0.00 C ATOM 760 CD GLN A 52 -2.975 4.557 8.113 1.00 0.00 C ATOM 761 OE1 GLN A 52 -2.835 3.851 9.113 1.00 0.00 O ATOM 762 NE2 GLN A 52 -3.599 5.729 8.146 1.00 0.00 N ATOM 0 H GLN A 52 -2.083 2.619 4.331 1.00 0.00 H new ATOM 0 HA GLN A 52 0.169 3.365 6.021 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.464 1.980 6.666 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.327 2.627 7.833 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.736 4.869 6.398 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.252 4.062 6.051 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.692 6.281 7.294 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.985 6.077 9.024 1.00 0.00 H new ATOM 771 N LEU A 53 -0.653 0.237 5.371 1.00 0.00 N ATOM 772 CA LEU A 53 -0.165 -1.137 5.412 1.00 0.00 C ATOM 773 C LEU A 53 1.162 -1.266 4.670 1.00 0.00 C ATOM 774 O LEU A 53 2.132 -1.805 5.203 1.00 0.00 O ATOM 775 CB LEU A 53 -1.198 -2.085 4.800 1.00 0.00 C ATOM 776 CG LEU A 53 -2.438 -2.364 5.650 1.00 0.00 C ATOM 777 CD1 LEU A 53 -3.526 -1.343 5.359 1.00 0.00 C ATOM 778 CD2 LEU A 53 -2.948 -3.776 5.401 1.00 0.00 C ATOM 0 H LEU A 53 -1.542 0.354 4.886 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.005 -1.408 6.456 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.522 -1.670 3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.708 -3.035 4.585 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.161 -2.279 6.701 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.400 -1.558 5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.158 -0.343 5.589 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.801 -1.395 4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.831 -3.957 6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.208 -3.889 4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.171 -4.495 5.662 1.00 0.00 H new ATOM 790 N ILE A 54 1.197 -0.766 3.439 1.00 0.00 N ATOM 791 CA ILE A 54 2.405 -0.822 2.626 1.00 0.00 C ATOM 792 C ILE A 54 3.560 -0.096 3.307 1.00 0.00 C ATOM 793 O ILE A 54 4.661 -0.632 3.424 1.00 0.00 O ATOM 794 CB ILE A 54 2.176 -0.206 1.233 1.00 0.00 C ATOM 795 CG1 ILE A 54 1.163 -1.038 0.444 1.00 0.00 C ATOM 796 CG2 ILE A 54 3.491 -0.104 0.476 1.00 0.00 C ATOM 797 CD1 ILE A 54 -0.269 -0.596 0.644 1.00 0.00 C ATOM 0 H ILE A 54 0.402 -0.318 2.983 1.00 0.00 H new ATOM 0 HA ILE A 54 2.659 -1.876 2.511 1.00 0.00 H new ATOM 0 HB ILE A 54 1.773 0.799 1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.407 -0.982 -0.617 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.256 -2.083 0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.312 0.333 -0.506 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.184 0.527 1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.921 -1.099 0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.931 -1.230 0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.531 -0.678 1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.378 0.440 0.323 1.00 0.00 H new ATOM 809 N ALA A 55 3.300 1.128 3.756 1.00 0.00 N ATOM 810 CA ALA A 55 4.316 1.927 4.429 1.00 0.00 C ATOM 811 C ALA A 55 4.928 1.164 5.599 1.00 0.00 C ATOM 812 O ALA A 55 6.092 1.367 5.945 1.00 0.00 O ATOM 813 CB ALA A 55 3.722 3.243 4.908 1.00 0.00 C ATOM 0 H ALA A 55 2.394 1.587 3.666 1.00 0.00 H new ATOM 0 HA ALA A 55 5.109 2.139 3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.493 3.829 5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.339 3.802 4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.908 3.043 5.605 1.00 0.00 H new ATOM 819 N GLY A 56 4.136 0.286 6.207 1.00 0.00 N ATOM 820 CA GLY A 56 4.618 -0.493 7.332 1.00 0.00 C ATOM 821 C GLY A 56 5.611 -1.561 6.916 1.00 0.00 C ATOM 822 O GLY A 56 6.467 -1.963 7.703 1.00 0.00 O ATOM 0 H GLY A 56 3.169 0.101 5.940 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.087 0.173 8.056 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.772 -0.963 7.833 1.00 0.00 H new ATOM 826 N LYS A 57 5.495 -2.022 5.676 1.00 0.00 N ATOM 827 CA LYS A 57 6.389 -3.050 5.155 1.00 0.00 C ATOM 828 C LYS A 57 7.644 -2.426 4.554 1.00 0.00 C ATOM 829 O LYS A 57 8.745 -2.958 4.700 1.00 0.00 O ATOM 830 CB LYS A 57 5.670 -3.893 4.100 1.00 0.00 C ATOM 831 CG LYS A 57 4.876 -5.049 4.682 1.00 0.00 C ATOM 832 CD LYS A 57 5.772 -6.017 5.438 1.00 0.00 C ATOM 833 CE LYS A 57 5.154 -7.404 5.515 1.00 0.00 C ATOM 834 NZ LYS A 57 6.100 -8.402 6.086 1.00 0.00 N ATOM 0 H LYS A 57 4.790 -1.700 5.012 1.00 0.00 H new ATOM 0 HA LYS A 57 6.686 -3.692 5.984 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.997 -3.251 3.531 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.406 -4.286 3.398 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.108 -4.663 5.353 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.362 -5.579 3.880 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.742 -6.077 4.945 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.949 -5.640 6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.253 -7.366 6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.849 -7.722 4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.641 -9.335 6.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.949 -8.457 5.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.371 -8.113 7.047 1.00 0.00 H new ATOM 848 N LEU A 58 7.472 -1.295 3.879 1.00 0.00 N ATOM 849 CA LEU A 58 8.591 -0.597 3.256 1.00 0.00 C ATOM 850 C LEU A 58 9.440 0.115 4.305 1.00 0.00 C ATOM 851 O LEU A 58 10.430 0.768 3.976 1.00 0.00 O ATOM 852 CB LEU A 58 8.080 0.412 2.227 1.00 0.00 C ATOM 853 CG LEU A 58 7.016 -0.101 1.256 1.00 0.00 C ATOM 854 CD1 LEU A 58 6.593 1.001 0.297 1.00 0.00 C ATOM 855 CD2 LEU A 58 7.532 -1.309 0.488 1.00 0.00 C ATOM 0 H LEU A 58 6.568 -0.841 3.749 1.00 0.00 H new ATOM 0 HA LEU A 58 9.213 -1.337 2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.673 1.271 2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.930 0.771 1.647 1.00 0.00 H new ATOM 0 HG LEU A 58 6.143 -0.408 1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.835 0.618 -0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.182 1.837 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.458 1.339 -0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.761 -1.660 -0.198 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.421 -1.028 -0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.784 -2.105 1.189 1.00 0.00 H new ATOM 867 N GLN A 59 9.046 -0.018 5.567 1.00 0.00 N ATOM 868 CA GLN A 59 9.772 0.612 6.664 1.00 0.00 C ATOM 869 C GLN A 59 11.262 0.697 6.352 1.00 0.00 C ATOM 870 O GLN A 59 11.926 1.668 6.713 1.00 0.00 O ATOM 871 CB GLN A 59 9.553 -0.167 7.962 1.00 0.00 C ATOM 872 CG GLN A 59 9.422 -1.668 7.756 1.00 0.00 C ATOM 873 CD GLN A 59 10.694 -2.296 7.220 1.00 0.00 C ATOM 874 OE1 GLN A 59 10.700 -2.887 6.139 1.00 0.00 O ATOM 875 NE2 GLN A 59 11.779 -2.172 7.974 1.00 0.00 N ATOM 0 H GLN A 59 8.229 -0.556 5.856 1.00 0.00 H new ATOM 0 HA GLN A 59 9.387 1.624 6.788 1.00 0.00 H new ATOM 0 HB2 GLN A 59 10.386 0.027 8.638 1.00 0.00 H new ATOM 0 HB3 GLN A 59 8.652 0.204 8.451 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.159 -2.139 8.703 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.604 -1.866 7.064 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.728 -1.674 8.863 1.00 0.00 H new ATOM 0 HE22 GLN A 59 12.664 -2.575 7.665 1.00 0.00 H new ATOM 884 N GLU A 60 11.781 -0.326 5.681 1.00 0.00 N ATOM 885 CA GLU A 60 13.194 -0.367 5.322 1.00 0.00 C ATOM 886 C GLU A 60 13.674 1.003 4.851 1.00 0.00 C ATOM 887 O GLU A 60 14.688 1.515 5.327 1.00 0.00 O ATOM 888 CB GLU A 60 13.435 -1.409 4.228 1.00 0.00 C ATOM 889 CG GLU A 60 12.733 -1.091 2.919 1.00 0.00 C ATOM 890 CD GLU A 60 12.849 -2.215 1.907 1.00 0.00 C ATOM 891 OE1 GLU A 60 13.972 -2.465 1.423 1.00 0.00 O ATOM 892 OE2 GLU A 60 11.815 -2.844 1.600 1.00 0.00 O ATOM 0 H GLU A 60 11.244 -1.138 5.375 1.00 0.00 H new ATOM 0 HA GLU A 60 13.761 -0.646 6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.507 -1.490 4.045 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.098 -2.382 4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.680 -0.891 3.115 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.157 -0.180 2.495 1.00 0.00 H new ATOM 899 N SER A 61 12.940 1.590 3.911 1.00 0.00 N ATOM 900 CA SER A 61 13.293 2.898 3.372 1.00 0.00 C ATOM 901 C SER A 61 12.214 3.927 3.693 1.00 0.00 C ATOM 902 O SER A 61 12.504 5.109 3.882 1.00 0.00 O ATOM 903 CB SER A 61 13.496 2.810 1.858 1.00 0.00 C ATOM 904 OG SER A 61 14.842 2.498 1.541 1.00 0.00 O ATOM 0 H SER A 61 12.098 1.181 3.507 1.00 0.00 H new ATOM 0 HA SER A 61 14.225 3.217 3.839 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.836 2.049 1.443 1.00 0.00 H new ATOM 0 HB3 SER A 61 13.220 3.758 1.395 1.00 0.00 H new ATOM 0 HG SER A 61 15.174 3.129 0.869 1.00 0.00 H new ATOM 910 N VAL A 62 10.968 3.470 3.753 1.00 0.00 N ATOM 911 CA VAL A 62 9.844 4.349 4.052 1.00 0.00 C ATOM 912 C VAL A 62 9.755 4.638 5.546 1.00 0.00 C ATOM 913 O VAL A 62 9.459 3.760 6.357 1.00 0.00 O ATOM 914 CB VAL A 62 8.512 3.739 3.577 1.00 0.00 C ATOM 915 CG1 VAL A 62 7.337 4.561 4.085 1.00 0.00 C ATOM 916 CG2 VAL A 62 8.484 3.636 2.060 1.00 0.00 C ATOM 0 H VAL A 62 10.711 2.495 3.598 1.00 0.00 H new ATOM 0 HA VAL A 62 10.019 5.281 3.515 1.00 0.00 H new ATOM 0 HB VAL A 62 8.426 2.733 3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.404 4.115 3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.349 4.578 5.175 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.414 5.580 3.705 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.536 3.203 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.593 4.630 1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.304 3.001 1.723 1.00 0.00 H new ATOM 926 N PRO A 63 10.015 5.899 5.922 1.00 0.00 N ATOM 927 CA PRO A 63 9.969 6.334 7.321 1.00 0.00 C ATOM 928 C PRO A 63 8.549 6.358 7.874 1.00 0.00 C ATOM 929 O PRO A 63 8.273 5.788 8.930 1.00 0.00 O ATOM 930 CB PRO A 63 10.549 7.750 7.272 1.00 0.00 C ATOM 931 CG PRO A 63 10.285 8.219 5.883 1.00 0.00 C ATOM 932 CD PRO A 63 10.374 6.998 5.009 1.00 0.00 C ATOM 0 HA PRO A 63 10.517 5.657 7.976 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.072 8.399 8.006 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.616 7.749 7.493 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.301 8.682 5.808 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.014 8.970 5.580 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.689 7.058 4.163 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.376 6.869 4.599 1.00 0.00 H new ATOM 940 N ASP A 64 7.650 7.022 7.155 1.00 0.00 N ATOM 941 CA ASP A 64 6.257 7.120 7.573 1.00 0.00 C ATOM 942 C ASP A 64 5.322 7.066 6.369 1.00 0.00 C ATOM 943 O ASP A 64 5.692 7.423 5.249 1.00 0.00 O ATOM 944 CB ASP A 64 6.026 8.413 8.356 1.00 0.00 C ATOM 945 CG ASP A 64 6.226 8.230 9.848 1.00 0.00 C ATOM 946 OD1 ASP A 64 7.031 7.358 10.237 1.00 0.00 O ATOM 947 OD2 ASP A 64 5.577 8.960 10.627 1.00 0.00 O ATOM 0 H ASP A 64 7.862 7.500 6.279 1.00 0.00 H new ATOM 0 HA ASP A 64 6.038 6.270 8.219 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.708 9.181 7.992 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.014 8.771 8.169 1.00 0.00 H new ATOM 952 N PRO A 65 4.083 6.610 6.600 1.00 0.00 N ATOM 953 CA PRO A 65 3.070 6.499 5.546 1.00 0.00 C ATOM 954 C PRO A 65 2.584 7.861 5.063 1.00 0.00 C ATOM 955 O PRO A 65 2.056 7.985 3.959 1.00 0.00 O ATOM 956 CB PRO A 65 1.932 5.735 6.227 1.00 0.00 C ATOM 957 CG PRO A 65 2.094 6.027 7.679 1.00 0.00 C ATOM 958 CD PRO A 65 3.574 6.168 7.909 1.00 0.00 C ATOM 0 HA PRO A 65 3.460 6.005 4.656 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.960 6.066 5.863 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.999 4.665 6.029 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.567 6.941 7.955 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.679 5.224 8.288 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.791 6.896 8.691 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.024 5.224 8.217 1.00 0.00 H new ATOM 966 N GLU A 66 2.766 8.879 5.898 1.00 0.00 N ATOM 967 CA GLU A 66 2.345 10.232 5.555 1.00 0.00 C ATOM 968 C GLU A 66 3.403 10.933 4.708 1.00 0.00 C ATOM 969 O GLU A 66 3.089 11.812 3.903 1.00 0.00 O ATOM 970 CB GLU A 66 2.072 11.043 6.824 1.00 0.00 C ATOM 971 CG GLU A 66 1.108 10.366 7.783 1.00 0.00 C ATOM 972 CD GLU A 66 0.348 11.358 8.642 1.00 0.00 C ATOM 973 OE1 GLU A 66 -0.232 12.309 8.077 1.00 0.00 O ATOM 974 OE2 GLU A 66 0.333 11.184 9.879 1.00 0.00 O ATOM 0 H GLU A 66 3.202 8.793 6.816 1.00 0.00 H new ATOM 0 HA GLU A 66 1.426 10.162 4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.015 11.225 7.339 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.669 12.016 6.544 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.398 9.764 7.215 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.662 9.683 8.427 1.00 0.00 H new ATOM 981 N LEU A 67 4.658 10.539 4.894 1.00 0.00 N ATOM 982 CA LEU A 67 5.764 11.129 4.148 1.00 0.00 C ATOM 983 C LEU A 67 5.969 10.410 2.819 1.00 0.00 C ATOM 984 O LEU A 67 7.031 10.513 2.204 1.00 0.00 O ATOM 985 CB LEU A 67 7.050 11.073 4.975 1.00 0.00 C ATOM 986 CG LEU A 67 6.934 11.533 6.429 1.00 0.00 C ATOM 987 CD1 LEU A 67 8.257 11.348 7.154 1.00 0.00 C ATOM 988 CD2 LEU A 67 6.486 12.986 6.494 1.00 0.00 C ATOM 0 H LEU A 67 4.935 9.813 5.555 1.00 0.00 H new ATOM 0 HA LEU A 67 5.517 12.170 3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.418 10.047 4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.803 11.686 4.480 1.00 0.00 H new ATOM 0 HG LEU A 67 6.182 10.919 6.926 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.155 11.681 8.187 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.537 10.295 7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.029 11.936 6.658 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.409 13.297 7.536 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.214 13.614 5.981 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.514 13.089 6.012 1.00 0.00 H new ATOM 1000 N ILE A 68 4.946 9.684 2.381 1.00 0.00 N ATOM 1001 CA ILE A 68 5.013 8.950 1.123 1.00 0.00 C ATOM 1002 C ILE A 68 3.695 9.042 0.362 1.00 0.00 C ATOM 1003 O ILE A 68 2.747 9.682 0.818 1.00 0.00 O ATOM 1004 CB ILE A 68 5.358 7.467 1.354 1.00 0.00 C ATOM 1005 CG1 ILE A 68 4.405 6.853 2.381 1.00 0.00 C ATOM 1006 CG2 ILE A 68 6.802 7.324 1.811 1.00 0.00 C ATOM 1007 CD1 ILE A 68 3.155 6.262 1.768 1.00 0.00 C ATOM 0 H ILE A 68 4.061 9.588 2.879 1.00 0.00 H new ATOM 0 HA ILE A 68 5.804 9.410 0.531 1.00 0.00 H new ATOM 0 HB ILE A 68 5.241 6.931 0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.932 6.075 2.934 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.119 7.618 3.102 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.031 6.270 1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.467 7.728 1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.945 7.871 2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.526 5.845 2.555 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.606 7.041 1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.431 5.474 1.068 1.00 0.00 H new ATOM 1019 N ASP A 69 3.641 8.396 -0.797 1.00 0.00 N ATOM 1020 CA ASP A 69 2.438 8.401 -1.621 1.00 0.00 C ATOM 1021 C ASP A 69 2.294 7.087 -2.381 1.00 0.00 C ATOM 1022 O ASP A 69 3.260 6.340 -2.539 1.00 0.00 O ATOM 1023 CB ASP A 69 2.471 9.573 -2.603 1.00 0.00 C ATOM 1024 CG ASP A 69 1.085 9.998 -3.045 1.00 0.00 C ATOM 1025 OD1 ASP A 69 0.142 9.882 -2.235 1.00 0.00 O ATOM 1026 OD2 ASP A 69 0.943 10.448 -4.202 1.00 0.00 O ATOM 0 H ASP A 69 4.417 7.862 -1.188 1.00 0.00 H new ATOM 0 HA ASP A 69 1.577 8.514 -0.962 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.976 10.419 -2.137 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.058 9.294 -3.478 1.00 0.00 H new ATOM 1031 N LEU A 70 1.082 6.810 -2.850 1.00 0.00 N ATOM 1032 CA LEU A 70 0.811 5.585 -3.594 1.00 0.00 C ATOM 1033 C LEU A 70 0.389 5.899 -5.026 1.00 0.00 C ATOM 1034 O LEU A 70 -0.520 6.698 -5.254 1.00 0.00 O ATOM 1035 CB LEU A 70 -0.281 4.772 -2.895 1.00 0.00 C ATOM 1036 CG LEU A 70 -0.311 3.277 -3.213 1.00 0.00 C ATOM 1037 CD1 LEU A 70 1.052 2.650 -2.959 1.00 0.00 C ATOM 1038 CD2 LEU A 70 -1.383 2.578 -2.389 1.00 0.00 C ATOM 0 H LEU A 70 0.272 7.417 -2.728 1.00 0.00 H new ATOM 0 HA LEU A 70 1.729 4.998 -3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.162 4.892 -1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.249 5.199 -3.158 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.554 3.154 -4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.012 1.586 -3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.798 3.131 -3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.324 2.783 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.390 1.515 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.170 2.710 -1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.358 3.008 -2.620 1.00 0.00 H new ATOM 1050 N ILE A 71 1.054 5.265 -5.985 1.00 0.00 N ATOM 1051 CA ILE A 71 0.745 5.475 -7.395 1.00 0.00 C ATOM 1052 C ILE A 71 0.310 4.174 -8.061 1.00 0.00 C ATOM 1053 O ILE A 71 0.942 3.132 -7.885 1.00 0.00 O ATOM 1054 CB ILE A 71 1.954 6.050 -8.156 1.00 0.00 C ATOM 1055 CG1 ILE A 71 2.518 7.266 -7.418 1.00 0.00 C ATOM 1056 CG2 ILE A 71 1.557 6.423 -9.576 1.00 0.00 C ATOM 1057 CD1 ILE A 71 1.516 8.385 -7.245 1.00 0.00 C ATOM 0 H ILE A 71 1.810 4.602 -5.813 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.074 6.193 -7.436 1.00 0.00 H new ATOM 0 HB ILE A 71 2.730 5.286 -8.205 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.874 6.953 -6.436 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.382 7.644 -7.964 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.422 6.828 -10.101 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.198 5.536 -10.098 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.766 7.173 -9.548 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.984 9.214 -6.714 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.178 8.726 -8.224 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.662 8.023 -6.672 1.00 0.00 H new ATOM 1069 N TYR A 72 -0.772 4.243 -8.829 1.00 0.00 N ATOM 1070 CA TYR A 72 -1.292 3.071 -9.523 1.00 0.00 C ATOM 1071 C TYR A 72 -1.836 3.448 -10.898 1.00 0.00 C ATOM 1072 O TYR A 72 -2.298 4.570 -11.108 1.00 0.00 O ATOM 1073 CB TYR A 72 -2.392 2.407 -8.692 1.00 0.00 C ATOM 1074 CG TYR A 72 -3.000 1.191 -9.354 1.00 0.00 C ATOM 1075 CD1 TYR A 72 -3.935 1.325 -10.373 1.00 0.00 C ATOM 1076 CD2 TYR A 72 -2.639 -0.092 -8.960 1.00 0.00 C ATOM 1077 CE1 TYR A 72 -4.493 0.217 -10.980 1.00 0.00 C ATOM 1078 CE2 TYR A 72 -3.192 -1.206 -9.562 1.00 0.00 C ATOM 1079 CZ TYR A 72 -4.119 -1.046 -10.571 1.00 0.00 C ATOM 1080 OH TYR A 72 -4.672 -2.152 -11.174 1.00 0.00 O ATOM 0 H TYR A 72 -1.306 5.098 -8.986 1.00 0.00 H new ATOM 0 HA TYR A 72 -0.471 2.366 -9.658 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.980 2.116 -7.725 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.179 3.136 -8.497 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.230 2.312 -10.696 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.914 -0.220 -8.170 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.218 0.339 -11.771 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.900 -2.196 -9.244 1.00 0.00 H new ATOM 0 HH TYR A 72 -4.898 -1.939 -12.103 1.00 0.00 H new ATOM 1090 N CYS A 73 -1.778 2.503 -11.829 1.00 0.00 N ATOM 1091 CA CYS A 73 -2.264 2.734 -13.185 1.00 0.00 C ATOM 1092 C CYS A 73 -1.783 4.082 -13.712 1.00 0.00 C ATOM 1093 O CYS A 73 -2.519 4.790 -14.399 1.00 0.00 O ATOM 1094 CB CYS A 73 -3.792 2.676 -13.218 1.00 0.00 C ATOM 1095 SG CYS A 73 -4.496 2.701 -14.883 1.00 0.00 S ATOM 0 H CYS A 73 -1.399 1.569 -11.670 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.864 1.949 -13.827 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.122 1.770 -12.709 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.189 3.520 -12.654 1.00 0.00 H new ATOM 0 HG CYS A 73 -4.017 3.714 -15.542 1.00 0.00 H new ATOM 1101 N GLY A 74 -0.543 4.432 -13.384 1.00 0.00 N ATOM 1102 CA GLY A 74 0.015 5.695 -13.831 1.00 0.00 C ATOM 1103 C GLY A 74 -0.765 6.888 -13.316 1.00 0.00 C ATOM 1104 O GLY A 74 -0.860 7.914 -13.989 1.00 0.00 O ATOM 0 H GLY A 74 0.085 3.863 -12.816 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.050 5.770 -13.497 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.029 5.717 -14.921 1.00 0.00 H new ATOM 1108 N ARG A 75 -1.326 6.753 -12.119 1.00 0.00 N ATOM 1109 CA ARG A 75 -2.105 7.828 -11.514 1.00 0.00 C ATOM 1110 C ARG A 75 -2.114 7.704 -9.994 1.00 0.00 C ATOM 1111 O ARG A 75 -2.199 6.603 -9.450 1.00 0.00 O ATOM 1112 CB ARG A 75 -3.539 7.810 -12.047 1.00 0.00 C ATOM 1113 CG ARG A 75 -4.356 6.627 -11.555 1.00 0.00 C ATOM 1114 CD ARG A 75 -5.818 6.755 -11.954 1.00 0.00 C ATOM 1115 NE ARG A 75 -6.030 6.438 -13.364 1.00 0.00 N ATOM 1116 CZ ARG A 75 -7.227 6.212 -13.894 1.00 0.00 C ATOM 1117 NH1 ARG A 75 -8.313 6.269 -13.136 1.00 0.00 N ATOM 1118 NH2 ARG A 75 -7.339 5.930 -15.186 1.00 0.00 N ATOM 0 H ARG A 75 -1.256 5.910 -11.549 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.638 8.776 -11.781 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.039 8.733 -11.753 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.513 7.795 -13.137 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.945 5.704 -11.965 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.279 6.556 -10.470 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.422 6.089 -11.338 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.161 7.771 -11.755 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.215 6.387 -13.975 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.231 6.487 -12.143 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.231 6.095 -13.546 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.506 5.887 -15.773 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.258 5.757 -15.592 1.00 0.00 H new ATOM 1132 N LYS A 76 -2.025 8.841 -9.312 1.00 0.00 N ATOM 1133 CA LYS A 76 -2.024 8.862 -7.854 1.00 0.00 C ATOM 1134 C LYS A 76 -3.374 8.414 -7.303 1.00 0.00 C ATOM 1135 O LYS A 76 -4.424 8.762 -7.845 1.00 0.00 O ATOM 1136 CB LYS A 76 -1.693 10.266 -7.344 1.00 0.00 C ATOM 1137 CG LYS A 76 -1.406 10.319 -5.853 1.00 0.00 C ATOM 1138 CD LYS A 76 -2.673 10.559 -5.050 1.00 0.00 C ATOM 1139 CE LYS A 76 -3.161 11.993 -5.193 1.00 0.00 C ATOM 1140 NZ LYS A 76 -2.557 12.889 -4.168 1.00 0.00 N ATOM 0 H LYS A 76 -1.953 9.761 -9.746 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.260 8.167 -7.506 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.827 10.646 -7.886 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.527 10.931 -7.569 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.945 9.383 -5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.688 11.113 -5.648 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.452 9.874 -5.384 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.486 10.341 -3.999 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.915 12.363 -6.189 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.247 12.018 -5.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.914 13.857 -4.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.812 12.551 -3.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.522 12.885 -4.270 1.00 0.00 H new ATOM 1154 N LEU A 77 -3.340 7.643 -6.221 1.00 0.00 N ATOM 1155 CA LEU A 77 -4.561 7.149 -5.595 1.00 0.00 C ATOM 1156 C LEU A 77 -4.922 7.985 -4.371 1.00 0.00 C ATOM 1157 O LEU A 77 -4.204 7.983 -3.371 1.00 0.00 O ATOM 1158 CB LEU A 77 -4.395 5.683 -5.194 1.00 0.00 C ATOM 1159 CG LEU A 77 -3.867 4.746 -6.281 1.00 0.00 C ATOM 1160 CD1 LEU A 77 -3.696 3.337 -5.734 1.00 0.00 C ATOM 1161 CD2 LEU A 77 -4.800 4.743 -7.483 1.00 0.00 C ATOM 0 H LEU A 77 -2.480 7.347 -5.759 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.371 7.231 -6.320 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.719 5.635 -4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.361 5.308 -4.857 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.892 5.110 -6.604 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.320 2.684 -6.522 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.988 3.352 -4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.658 2.964 -5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.408 4.071 -8.246 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.789 4.405 -7.175 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.872 5.751 -7.890 1.00 0.00 H new ATOM 1173 N LYS A 78 -6.040 8.698 -4.456 1.00 0.00 N ATOM 1174 CA LYS A 78 -6.500 9.536 -3.355 1.00 0.00 C ATOM 1175 C LYS A 78 -7.170 8.694 -2.273 1.00 0.00 C ATOM 1176 O LYS A 78 -7.633 7.584 -2.536 1.00 0.00 O ATOM 1177 CB LYS A 78 -7.475 10.598 -3.868 1.00 0.00 C ATOM 1178 CG LYS A 78 -6.791 11.842 -4.406 1.00 0.00 C ATOM 1179 CD LYS A 78 -7.786 12.966 -4.644 1.00 0.00 C ATOM 1180 CE LYS A 78 -8.555 12.765 -5.941 1.00 0.00 C ATOM 1181 NZ LYS A 78 -9.601 13.807 -6.132 1.00 0.00 N ATOM 0 H LYS A 78 -6.645 8.712 -5.277 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.631 10.030 -2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.091 10.163 -4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.146 10.884 -3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.028 12.173 -3.701 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.280 11.603 -5.339 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.485 13.017 -3.809 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.259 13.919 -4.677 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.862 12.788 -6.782 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.020 11.779 -5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.103 13.635 -7.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.277 13.769 -5.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.155 14.746 -6.160 1.00 0.00 H new ATOM 1195 N ASP A 79 -7.219 9.231 -1.059 1.00 0.00 N ATOM 1196 CA ASP A 79 -7.836 8.530 0.062 1.00 0.00 C ATOM 1197 C ASP A 79 -9.351 8.466 -0.105 1.00 0.00 C ATOM 1198 O ASP A 79 -10.000 7.542 0.386 1.00 0.00 O ATOM 1199 CB ASP A 79 -7.484 9.222 1.379 1.00 0.00 C ATOM 1200 CG ASP A 79 -8.566 9.056 2.427 1.00 0.00 C ATOM 1201 OD1 ASP A 79 -9.084 7.929 2.572 1.00 0.00 O ATOM 1202 OD2 ASP A 79 -8.896 10.054 3.103 1.00 0.00 O ATOM 0 H ASP A 79 -6.839 10.149 -0.826 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.448 7.512 0.081 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -6.547 8.816 1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.320 10.284 1.196 1.00 0.00 H new ATOM 1207 N ASP A 80 -9.907 9.453 -0.798 1.00 0.00 N ATOM 1208 CA ASP A 80 -11.346 9.509 -1.029 1.00 0.00 C ATOM 1209 C ASP A 80 -11.788 8.396 -1.975 1.00 0.00 C ATOM 1210 O ASP A 80 -12.964 8.035 -2.016 1.00 0.00 O ATOM 1211 CB ASP A 80 -11.739 10.870 -1.604 1.00 0.00 C ATOM 1212 CG ASP A 80 -11.801 11.951 -0.543 1.00 0.00 C ATOM 1213 OD1 ASP A 80 -12.771 11.955 0.243 1.00 0.00 O ATOM 1214 OD2 ASP A 80 -10.880 12.793 -0.498 1.00 0.00 O ATOM 0 H ASP A 80 -9.383 10.225 -1.210 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.849 9.369 -0.072 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.020 11.158 -2.371 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.710 10.788 -2.092 1.00 0.00 H new ATOM 1219 N GLN A 81 -10.838 7.859 -2.733 1.00 0.00 N ATOM 1220 CA GLN A 81 -11.131 6.789 -3.680 1.00 0.00 C ATOM 1221 C GLN A 81 -11.084 5.428 -2.994 1.00 0.00 C ATOM 1222 O GLN A 81 -10.680 5.317 -1.836 1.00 0.00 O ATOM 1223 CB GLN A 81 -10.137 6.822 -4.843 1.00 0.00 C ATOM 1224 CG GLN A 81 -9.916 8.214 -5.414 1.00 0.00 C ATOM 1225 CD GLN A 81 -10.946 8.585 -6.463 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -12.150 8.547 -6.207 1.00 0.00 O ATOM 1227 NE2 GLN A 81 -10.477 8.946 -7.651 1.00 0.00 N ATOM 0 H GLN A 81 -9.860 8.147 -2.710 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.138 6.946 -4.067 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.181 6.421 -4.505 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.496 6.166 -5.636 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.948 8.944 -4.605 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -8.920 8.268 -5.853 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.471 8.963 -7.818 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.123 9.206 -8.396 1.00 0.00 H new ATOM 1236 N THR A 82 -11.500 4.392 -3.717 1.00 0.00 N ATOM 1237 CA THR A 82 -11.507 3.038 -3.178 1.00 0.00 C ATOM 1238 C THR A 82 -10.883 2.052 -4.160 1.00 0.00 C ATOM 1239 O THR A 82 -10.621 2.392 -5.315 1.00 0.00 O ATOM 1240 CB THR A 82 -12.937 2.575 -2.842 1.00 0.00 C ATOM 1241 OG1 THR A 82 -13.729 2.525 -4.034 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.586 3.511 -1.834 1.00 0.00 C ATOM 0 H THR A 82 -11.836 4.465 -4.677 1.00 0.00 H new ATOM 0 HA THR A 82 -10.915 3.059 -2.263 1.00 0.00 H new ATOM 0 HB THR A 82 -12.879 1.579 -2.404 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.636 2.228 -3.812 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.595 3.164 -1.612 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.997 3.523 -0.917 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.632 4.518 -2.249 1.00 0.00 H new ATOM 1250 N LEU A 83 -10.648 0.830 -3.695 1.00 0.00 N ATOM 1251 CA LEU A 83 -10.056 -0.206 -4.533 1.00 0.00 C ATOM 1252 C LEU A 83 -10.902 -0.449 -5.779 1.00 0.00 C ATOM 1253 O LEU A 83 -10.374 -0.716 -6.858 1.00 0.00 O ATOM 1254 CB LEU A 83 -9.907 -1.507 -3.742 1.00 0.00 C ATOM 1255 CG LEU A 83 -8.792 -1.532 -2.695 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -7.473 -1.941 -3.332 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -8.663 -0.175 -2.020 1.00 0.00 C ATOM 0 H LEU A 83 -10.858 0.533 -2.742 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.070 0.136 -4.847 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.853 -1.715 -3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.734 -2.320 -4.447 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.049 -2.269 -1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.691 -1.954 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.572 -2.935 -3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.209 -1.228 -4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.865 -0.212 -1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.429 0.583 -2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.603 0.078 -1.529 1.00 0.00 H new ATOM 1269 N ASP A 84 -12.218 -0.354 -5.621 1.00 0.00 N ATOM 1270 CA ASP A 84 -13.138 -0.560 -6.734 1.00 0.00 C ATOM 1271 C ASP A 84 -13.161 0.658 -7.652 1.00 0.00 C ATOM 1272 O ASP A 84 -13.080 0.528 -8.874 1.00 0.00 O ATOM 1273 CB ASP A 84 -14.546 -0.848 -6.212 1.00 0.00 C ATOM 1274 CG ASP A 84 -15.596 -0.762 -7.302 1.00 0.00 C ATOM 1275 OD1 ASP A 84 -15.517 -1.552 -8.267 1.00 0.00 O ATOM 1276 OD2 ASP A 84 -16.498 0.094 -7.191 1.00 0.00 O ATOM 0 H ASP A 84 -12.671 -0.136 -4.734 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.789 -1.418 -7.308 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.569 -1.843 -5.767 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.789 -0.139 -5.421 1.00 0.00 H new ATOM 1281 N PHE A 85 -13.274 1.840 -7.056 1.00 0.00 N ATOM 1282 CA PHE A 85 -13.311 3.081 -7.821 1.00 0.00 C ATOM 1283 C PHE A 85 -12.309 3.041 -8.971 1.00 0.00 C ATOM 1284 O PHE A 85 -12.638 3.381 -10.108 1.00 0.00 O ATOM 1285 CB PHE A 85 -13.012 4.275 -6.911 1.00 0.00 C ATOM 1286 CG PHE A 85 -13.594 5.567 -7.408 1.00 0.00 C ATOM 1287 CD1 PHE A 85 -14.871 5.956 -7.037 1.00 0.00 C ATOM 1288 CD2 PHE A 85 -12.863 6.394 -8.246 1.00 0.00 C ATOM 1289 CE1 PHE A 85 -15.409 7.145 -7.492 1.00 0.00 C ATOM 1290 CE2 PHE A 85 -13.395 7.584 -8.704 1.00 0.00 C ATOM 1291 CZ PHE A 85 -14.670 7.960 -8.328 1.00 0.00 C ATOM 0 H PHE A 85 -13.342 1.965 -6.046 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.312 3.192 -8.238 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -13.403 4.069 -5.915 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.932 4.386 -6.813 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -15.453 5.322 -6.384 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -11.866 6.105 -8.544 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -16.405 7.437 -7.195 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -12.814 8.220 -9.356 1.00 0.00 H new ATOM 0 HZ PHE A 85 -15.088 8.889 -8.687 1.00 0.00 H new ATOM 1301 N TYR A 86 -11.085 2.625 -8.667 1.00 0.00 N ATOM 1302 CA TYR A 86 -10.033 2.543 -9.674 1.00 0.00 C ATOM 1303 C TYR A 86 -10.045 1.183 -10.365 1.00 0.00 C ATOM 1304 O TYR A 86 -9.751 1.076 -11.555 1.00 0.00 O ATOM 1305 CB TYR A 86 -8.665 2.790 -9.034 1.00 0.00 C ATOM 1306 CG TYR A 86 -8.391 4.246 -8.734 1.00 0.00 C ATOM 1307 CD1 TYR A 86 -8.205 5.164 -9.760 1.00 0.00 C ATOM 1308 CD2 TYR A 86 -8.319 4.704 -7.424 1.00 0.00 C ATOM 1309 CE1 TYR A 86 -7.954 6.495 -9.491 1.00 0.00 C ATOM 1310 CE2 TYR A 86 -8.069 6.034 -7.146 1.00 0.00 C ATOM 1311 CZ TYR A 86 -7.887 6.926 -8.182 1.00 0.00 C ATOM 1312 OH TYR A 86 -7.638 8.251 -7.910 1.00 0.00 O ATOM 0 H TYR A 86 -10.796 2.339 -7.731 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.221 3.313 -10.423 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.598 2.218 -8.109 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.888 2.412 -9.699 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.258 4.831 -10.786 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.461 4.009 -6.610 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.811 7.195 -10.301 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -8.016 6.374 -6.122 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.670 8.405 -7.890 1.00 0.00 H new ATOM 1322 N GLY A 87 -10.389 0.145 -9.609 1.00 0.00 N ATOM 1323 CA GLY A 87 -10.434 -1.195 -10.165 1.00 0.00 C ATOM 1324 C GLY A 87 -9.244 -2.036 -9.749 1.00 0.00 C ATOM 1325 O GLY A 87 -8.961 -3.068 -10.358 1.00 0.00 O ATOM 0 H GLY A 87 -10.637 0.208 -8.622 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.352 -1.687 -9.845 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.468 -1.133 -11.253 1.00 0.00 H new ATOM 1329 N ILE A 88 -8.544 -1.594 -8.709 1.00 0.00 N ATOM 1330 CA ILE A 88 -7.377 -2.314 -8.213 1.00 0.00 C ATOM 1331 C ILE A 88 -7.728 -3.756 -7.863 1.00 0.00 C ATOM 1332 O ILE A 88 -8.838 -4.043 -7.417 1.00 0.00 O ATOM 1333 CB ILE A 88 -6.778 -1.627 -6.971 1.00 0.00 C ATOM 1334 CG1 ILE A 88 -6.337 -0.203 -7.312 1.00 0.00 C ATOM 1335 CG2 ILE A 88 -5.608 -2.436 -6.432 1.00 0.00 C ATOM 1336 CD1 ILE A 88 -6.226 0.701 -6.104 1.00 0.00 C ATOM 0 H ILE A 88 -8.764 -0.742 -8.194 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.638 -2.307 -9.014 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.544 -1.574 -6.198 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.372 -0.241 -7.817 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.048 0.230 -8.016 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.195 -1.938 -5.555 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.952 -3.433 -6.156 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.838 -2.517 -7.199 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.909 1.695 -6.421 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.196 0.770 -5.611 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.493 0.291 -5.409 1.00 0.00 H new ATOM 1348 N GLN A 89 -6.774 -4.658 -8.068 1.00 0.00 N ATOM 1349 CA GLN A 89 -6.982 -6.071 -7.773 1.00 0.00 C ATOM 1350 C GLN A 89 -5.812 -6.639 -6.977 1.00 0.00 C ATOM 1351 O GLN A 89 -4.721 -6.069 -6.937 1.00 0.00 O ATOM 1352 CB GLN A 89 -7.165 -6.862 -9.069 1.00 0.00 C ATOM 1353 CG GLN A 89 -8.614 -6.973 -9.515 1.00 0.00 C ATOM 1354 CD GLN A 89 -8.757 -7.053 -11.022 1.00 0.00 C ATOM 1355 OE1 GLN A 89 -8.419 -8.065 -11.636 1.00 0.00 O ATOM 1356 NE2 GLN A 89 -9.259 -5.983 -11.627 1.00 0.00 N ATOM 0 H GLN A 89 -5.849 -4.436 -8.437 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.885 -6.161 -7.170 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.586 -6.386 -9.860 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.757 -7.864 -8.934 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.062 -7.858 -9.064 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.170 -6.111 -9.146 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.526 -5.165 -11.079 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.378 -5.979 -12.640 1.00 0.00 H new ATOM 1365 N PRO A 90 -6.042 -7.789 -6.326 1.00 0.00 N ATOM 1366 CA PRO A 90 -5.018 -8.460 -5.519 1.00 0.00 C ATOM 1367 C PRO A 90 -3.902 -9.052 -6.373 1.00 0.00 C ATOM 1368 O PRO A 90 -2.993 -9.702 -5.860 1.00 0.00 O ATOM 1369 CB PRO A 90 -5.797 -9.572 -4.812 1.00 0.00 C ATOM 1370 CG PRO A 90 -6.962 -9.842 -5.700 1.00 0.00 C ATOM 1371 CD PRO A 90 -7.318 -8.524 -6.329 1.00 0.00 C ATOM 0 HA PRO A 90 -4.519 -7.770 -4.838 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.184 -10.464 -4.682 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.120 -9.259 -3.819 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.710 -10.582 -6.460 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.801 -10.242 -5.131 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.705 -8.653 -7.340 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.085 -8.000 -5.758 1.00 0.00 H new ATOM 1379 N GLY A 91 -3.978 -8.821 -7.681 1.00 0.00 N ATOM 1380 CA GLY A 91 -2.967 -9.338 -8.585 1.00 0.00 C ATOM 1381 C GLY A 91 -2.209 -8.236 -9.299 1.00 0.00 C ATOM 1382 O GLY A 91 -1.475 -8.496 -10.252 1.00 0.00 O ATOM 0 H GLY A 91 -4.721 -8.286 -8.130 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.264 -9.954 -8.025 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.441 -9.986 -9.323 1.00 0.00 H new ATOM 1386 N SER A 92 -2.388 -7.003 -8.838 1.00 0.00 N ATOM 1387 CA SER A 92 -1.720 -5.856 -9.442 1.00 0.00 C ATOM 1388 C SER A 92 -0.543 -5.400 -8.585 1.00 0.00 C ATOM 1389 O SER A 92 -0.333 -5.900 -7.480 1.00 0.00 O ATOM 1390 CB SER A 92 -2.708 -4.703 -9.629 1.00 0.00 C ATOM 1391 OG SER A 92 -3.911 -5.154 -10.225 1.00 0.00 O ATOM 0 H SER A 92 -2.990 -6.772 -8.048 1.00 0.00 H new ATOM 0 HA SER A 92 -1.340 -6.160 -10.417 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.926 -4.246 -8.663 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.257 -3.931 -10.252 1.00 0.00 H new ATOM 0 HG SER A 92 -4.377 -4.396 -10.635 1.00 0.00 H new ATOM 1397 N THR A 93 0.223 -4.445 -9.104 1.00 0.00 N ATOM 1398 CA THR A 93 1.380 -3.920 -8.389 1.00 0.00 C ATOM 1399 C THR A 93 1.353 -2.397 -8.342 1.00 0.00 C ATOM 1400 O THR A 93 1.109 -1.739 -9.354 1.00 0.00 O ATOM 1401 CB THR A 93 2.698 -4.379 -9.039 1.00 0.00 C ATOM 1402 OG1 THR A 93 2.753 -5.810 -9.079 1.00 0.00 O ATOM 1403 CG2 THR A 93 3.896 -3.842 -8.271 1.00 0.00 C ATOM 0 H THR A 93 0.063 -4.019 -10.017 1.00 0.00 H new ATOM 0 HA THR A 93 1.328 -4.313 -7.374 1.00 0.00 H new ATOM 0 HB THR A 93 2.732 -3.986 -10.055 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.594 -6.094 -9.495 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.816 -4.179 -8.749 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.867 -2.752 -8.268 1.00 0.00 H new ATOM 0 HG23 THR A 93 3.865 -4.209 -7.245 1.00 0.00 H new ATOM 1411 N VAL A 94 1.605 -1.841 -7.161 1.00 0.00 N ATOM 1412 CA VAL A 94 1.612 -0.394 -6.983 1.00 0.00 C ATOM 1413 C VAL A 94 3.031 0.130 -6.792 1.00 0.00 C ATOM 1414 O VAL A 94 3.962 -0.640 -6.560 1.00 0.00 O ATOM 1415 CB VAL A 94 0.754 0.027 -5.775 1.00 0.00 C ATOM 1416 CG1 VAL A 94 -0.683 -0.438 -5.953 1.00 0.00 C ATOM 1417 CG2 VAL A 94 1.345 -0.522 -4.486 1.00 0.00 C ATOM 0 H VAL A 94 1.807 -2.371 -6.313 1.00 0.00 H new ATOM 0 HA VAL A 94 1.187 0.038 -7.889 1.00 0.00 H new ATOM 0 HB VAL A 94 0.753 1.115 -5.713 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.274 -0.132 -5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.101 0.008 -6.856 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.706 -1.524 -6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.727 -0.215 -3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.377 -1.610 -4.535 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.355 -0.134 -4.355 1.00 0.00 H new ATOM 1427 N HIS A 95 3.188 1.446 -6.891 1.00 0.00 N ATOM 1428 CA HIS A 95 4.494 2.075 -6.728 1.00 0.00 C ATOM 1429 C HIS A 95 4.417 3.243 -5.750 1.00 0.00 C ATOM 1430 O HIS A 95 3.529 4.091 -5.849 1.00 0.00 O ATOM 1431 CB HIS A 95 5.023 2.558 -8.078 1.00 0.00 C ATOM 1432 CG HIS A 95 5.479 1.449 -8.976 1.00 0.00 C ATOM 1433 ND1 HIS A 95 6.722 0.861 -8.873 1.00 0.00 N ATOM 1434 CD2 HIS A 95 4.849 0.819 -9.995 1.00 0.00 C ATOM 1435 CE1 HIS A 95 6.837 -0.081 -9.792 1.00 0.00 C ATOM 1436 NE2 HIS A 95 5.714 -0.127 -10.486 1.00 0.00 N ATOM 0 H HIS A 95 2.427 2.098 -7.083 1.00 0.00 H new ATOM 0 HA HIS A 95 5.180 1.331 -6.323 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.241 3.125 -8.583 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.854 3.242 -7.909 1.00 0.00 H new ATOM 0 HD2 HIS A 95 3.851 1.023 -10.355 1.00 0.00 H new ATOM 0 HE1 HIS A 95 7.703 -0.707 -9.949 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.521 -0.762 -11.261 1.00 0.00 H new ATOM 1445 N VAL A 96 5.352 3.282 -4.806 1.00 0.00 N ATOM 1446 CA VAL A 96 5.390 4.347 -3.811 1.00 0.00 C ATOM 1447 C VAL A 96 6.316 5.476 -4.249 1.00 0.00 C ATOM 1448 O VAL A 96 7.373 5.235 -4.834 1.00 0.00 O ATOM 1449 CB VAL A 96 5.855 3.818 -2.441 1.00 0.00 C ATOM 1450 CG1 VAL A 96 6.117 4.972 -1.485 1.00 0.00 C ATOM 1451 CG2 VAL A 96 4.825 2.859 -1.863 1.00 0.00 C ATOM 0 H VAL A 96 6.093 2.588 -4.709 1.00 0.00 H new ATOM 0 HA VAL A 96 4.374 4.730 -3.718 1.00 0.00 H new ATOM 0 HB VAL A 96 6.788 3.272 -2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.445 4.580 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.893 5.617 -1.897 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.201 5.547 -1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.170 2.495 -0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.875 3.378 -1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.692 2.016 -2.541 1.00 0.00 H new ATOM 1461 N LEU A 97 5.913 6.709 -3.962 1.00 0.00 N ATOM 1462 CA LEU A 97 6.707 7.877 -4.326 1.00 0.00 C ATOM 1463 C LEU A 97 6.963 8.761 -3.109 1.00 0.00 C ATOM 1464 O LEU A 97 6.027 9.229 -2.461 1.00 0.00 O ATOM 1465 CB LEU A 97 5.996 8.683 -5.415 1.00 0.00 C ATOM 1466 CG LEU A 97 6.873 9.644 -6.219 1.00 0.00 C ATOM 1467 CD1 LEU A 97 7.536 10.657 -5.298 1.00 0.00 C ATOM 1468 CD2 LEU A 97 7.920 8.876 -7.012 1.00 0.00 C ATOM 0 H LEU A 97 5.041 6.926 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 97 7.666 7.529 -4.709 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.527 7.985 -6.108 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.195 9.257 -4.950 1.00 0.00 H new ATOM 0 HG LEU A 97 6.238 10.183 -6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.156 11.333 -5.887 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.770 11.230 -4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.158 10.135 -4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.534 9.577 -7.578 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.552 8.310 -6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.425 8.190 -7.700 1.00 0.00 H new ATOM 1480 N ARG A 98 8.237 8.988 -2.807 1.00 0.00 N ATOM 1481 CA ARG A 98 8.617 9.817 -1.669 1.00 0.00 C ATOM 1482 C ARG A 98 8.300 11.285 -1.937 1.00 0.00 C ATOM 1483 O ARG A 98 8.762 11.862 -2.922 1.00 0.00 O ATOM 1484 CB ARG A 98 10.107 9.653 -1.366 1.00 0.00 C ATOM 1485 CG ARG A 98 10.462 8.301 -0.769 1.00 0.00 C ATOM 1486 CD ARG A 98 11.674 8.396 0.145 1.00 0.00 C ATOM 1487 NE ARG A 98 12.440 7.153 0.168 1.00 0.00 N ATOM 1488 CZ ARG A 98 13.300 6.801 -0.781 1.00 0.00 C ATOM 1489 NH1 ARG A 98 13.502 7.595 -1.824 1.00 0.00 N ATOM 1490 NH2 ARG A 98 13.960 5.654 -0.689 1.00 0.00 N ATOM 0 H ARG A 98 9.024 8.610 -3.334 1.00 0.00 H new ATOM 0 HA ARG A 98 8.040 9.490 -0.804 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.674 9.795 -2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.417 10.438 -0.676 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.611 7.915 -0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.664 7.590 -1.570 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.316 9.212 -0.188 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.348 8.640 1.156 1.00 0.00 H new ATOM 0 HE ARG A 98 12.307 6.520 0.957 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.996 8.478 -1.898 1.00 0.00 H new ATOM 0 HH12 ARG A 98 14.163 7.323 -2.552 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.807 5.041 0.112 1.00 0.00 H new ATOM 0 HH22 ARG A 98 14.620 5.385 -1.419 1.00 0.00 H new