USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 516 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 61 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 64 GLN : amide:sc= -10.2! C(o=-10!,f=-13!) USER MOD Set 2.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 59 GLN : amide:sc= -1.31! K(o=-1.3!,f=0.63) USER MOD Single : A 11 HIS : no HD1:sc= -0.687 K(o=-0.69,f=0.013) USER MOD Single : A 14 LYS NZ :NH3+ -149:sc= -1.83! (180deg=-2.55!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 161:sc= -0.221 (180deg=-0.544) USER MOD Single : A 23 ASN : amide:sc= -0.754 K(o=-0.75,f=-0.061) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc=0.000127 USER MOD Single : A 36 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.0074) USER MOD Single : A 38 ASN : amide:sc=-0.000694 X(o=-0.00069,f=-0.14) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.0042) USER MOD Single : A 57 SER OG : rot 70:sc= 2.34 USER MOD Single : A 60 GLN : amide:sc= -0.196 K(o=-0.2,f=-2.1!) USER MOD Single : A 63 HIS : no HD1:sc= -0.0106 X(o=-0.011,f=-0.011) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N HIS A 11 -1.351 -16.475 0.468 1.00 0.00 N ATOM 143 CA HIS A 11 -0.740 -15.303 -0.146 1.00 0.00 C ATOM 144 C HIS A 11 0.681 -15.115 0.380 1.00 0.00 C ATOM 145 O HIS A 11 1.297 -16.061 0.872 1.00 0.00 O ATOM 146 CB HIS A 11 -1.577 -14.056 0.150 1.00 0.00 C ATOM 147 CG HIS A 11 -1.836 -13.202 -1.055 1.00 0.00 C ATOM 148 ND1 HIS A 11 -2.931 -13.409 -1.857 1.00 0.00 N ATOM 149 CD2 HIS A 11 -1.120 -12.159 -1.543 1.00 0.00 C ATOM 150 CE1 HIS A 11 -2.861 -12.495 -2.808 1.00 0.00 C ATOM 151 NE2 HIS A 11 -1.780 -11.713 -2.660 1.00 0.00 N ATOM 0 HA HIS A 11 -0.700 -15.453 -1.225 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.531 -14.363 0.578 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -1.067 -13.458 0.905 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.206 -11.757 -1.132 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -3.583 -12.390 -3.605 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -1.503 -10.937 -3.262 1.00 0.00 H new ATOM 159 N ILE A 12 1.192 -13.893 0.283 1.00 0.00 N ATOM 160 CA ILE A 12 2.535 -13.589 0.760 1.00 0.00 C ATOM 161 C ILE A 12 2.574 -13.569 2.285 1.00 0.00 C ATOM 162 O ILE A 12 1.575 -13.252 2.932 1.00 0.00 O ATOM 163 CB ILE A 12 3.028 -12.229 0.224 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.460 -11.956 0.689 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.096 -11.113 0.675 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.509 -12.354 -0.326 1.00 0.00 C ATOM 0 H ILE A 12 0.697 -13.098 -0.121 1.00 0.00 H new ATOM 0 HA ILE A 12 3.194 -14.374 0.389 1.00 0.00 H new ATOM 0 HB ILE A 12 3.023 -12.263 -0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.565 -10.894 0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.641 -12.496 1.618 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.457 -10.160 0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.092 -11.302 0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.071 -11.078 1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.500 -12.133 0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.430 -13.422 -0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.353 -11.795 -1.249 1.00 0.00 H new ATOM 178 N SER A 13 3.731 -13.899 2.854 1.00 0.00 N ATOM 179 CA SER A 13 3.894 -13.905 4.304 1.00 0.00 C ATOM 180 C SER A 13 3.440 -12.573 4.889 1.00 0.00 C ATOM 181 O SER A 13 2.720 -12.531 5.887 1.00 0.00 O ATOM 182 CB SER A 13 5.353 -14.173 4.675 1.00 0.00 C ATOM 183 OG SER A 13 5.631 -15.563 4.680 1.00 0.00 O ATOM 0 H SER A 13 4.567 -14.165 2.334 1.00 0.00 H new ATOM 0 HA SER A 13 3.277 -14.701 4.720 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.010 -13.670 3.966 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.565 -13.753 5.658 1.00 0.00 H new ATOM 0 HG SER A 13 6.570 -15.708 4.918 1.00 0.00 H new ATOM 189 N LYS A 14 3.857 -11.485 4.246 1.00 0.00 N ATOM 190 CA LYS A 14 3.489 -10.144 4.682 1.00 0.00 C ATOM 191 C LYS A 14 3.926 -9.100 3.657 1.00 0.00 C ATOM 192 O LYS A 14 4.980 -9.225 3.042 1.00 0.00 O ATOM 193 CB LYS A 14 4.120 -9.832 6.043 1.00 0.00 C ATOM 194 CG LYS A 14 5.620 -9.590 5.983 1.00 0.00 C ATOM 195 CD LYS A 14 6.274 -9.781 7.342 1.00 0.00 C ATOM 196 CE LYS A 14 7.304 -10.898 7.312 1.00 0.00 C ATOM 197 NZ LYS A 14 6.730 -12.166 6.783 1.00 0.00 N ATOM 0 H LYS A 14 4.452 -11.508 3.418 1.00 0.00 H new ATOM 0 HA LYS A 14 2.404 -10.107 4.776 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.636 -8.951 6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.922 -10.660 6.723 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.071 -10.273 5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.812 -8.578 5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.753 -8.852 7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.510 -10.009 8.086 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.149 -10.596 6.694 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.688 -11.065 8.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.206 -12.976 7.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.713 -12.202 6.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.869 -12.207 5.753 1.00 0.00 H new ATOM 211 N TYR A 15 3.110 -8.066 3.490 1.00 0.00 N ATOM 212 CA TYR A 15 3.412 -6.988 2.554 1.00 0.00 C ATOM 213 C TYR A 15 3.900 -5.761 3.318 1.00 0.00 C ATOM 214 O TYR A 15 3.456 -5.507 4.435 1.00 0.00 O ATOM 215 CB TYR A 15 2.165 -6.629 1.736 1.00 0.00 C ATOM 216 CG TYR A 15 2.344 -6.746 0.236 1.00 0.00 C ATOM 217 CD1 TYR A 15 3.391 -6.103 -0.415 1.00 0.00 C ATOM 218 CD2 TYR A 15 1.458 -7.492 -0.531 1.00 0.00 C ATOM 219 CE1 TYR A 15 3.550 -6.203 -1.784 1.00 0.00 C ATOM 220 CE2 TYR A 15 1.610 -7.596 -1.901 1.00 0.00 C ATOM 221 CZ TYR A 15 2.657 -6.950 -2.522 1.00 0.00 C ATOM 222 OH TYR A 15 2.811 -7.050 -3.886 1.00 0.00 O ATOM 0 H TYR A 15 2.230 -7.951 3.993 1.00 0.00 H new ATOM 0 HA TYR A 15 4.195 -7.323 1.873 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.345 -7.278 2.043 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.870 -5.607 1.976 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.092 -5.515 0.159 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.636 -8.000 -0.048 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.370 -5.698 -2.273 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.912 -8.181 -2.482 1.00 0.00 H new ATOM 0 HH TYR A 15 2.099 -7.613 -4.255 1.00 0.00 H new ATOM 232 N ILE A 16 4.806 -5.001 2.717 1.00 0.00 N ATOM 233 CA ILE A 16 5.335 -3.804 3.360 1.00 0.00 C ATOM 234 C ILE A 16 4.929 -2.556 2.589 1.00 0.00 C ATOM 235 O ILE A 16 5.183 -2.441 1.393 1.00 0.00 O ATOM 236 CB ILE A 16 6.879 -3.858 3.505 1.00 0.00 C ATOM 237 CG1 ILE A 16 7.255 -4.182 4.954 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.531 -2.547 3.072 1.00 0.00 C ATOM 239 CD1 ILE A 16 6.883 -3.089 5.935 1.00 0.00 C ATOM 0 H ILE A 16 5.189 -5.190 1.791 1.00 0.00 H new ATOM 0 HA ILE A 16 4.906 -3.762 4.361 1.00 0.00 H new ATOM 0 HB ILE A 16 7.251 -4.645 2.849 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.762 -5.108 5.250 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.329 -4.360 5.011 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.612 -2.623 3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.291 -2.349 2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 16 7.156 -1.732 3.691 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.179 -3.387 6.941 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.397 -2.167 5.664 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.806 -2.926 5.907 1.00 0.00 H new ATOM 251 N LEU A 17 4.299 -1.623 3.283 1.00 0.00 N ATOM 252 CA LEU A 17 3.867 -0.385 2.659 1.00 0.00 C ATOM 253 C LEU A 17 4.652 0.791 3.218 1.00 0.00 C ATOM 254 O LEU A 17 4.537 1.124 4.398 1.00 0.00 O ATOM 255 CB LEU A 17 2.370 -0.171 2.882 1.00 0.00 C ATOM 256 CG LEU A 17 1.653 0.598 1.770 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.319 -0.057 1.446 1.00 0.00 C ATOM 258 CD2 LEU A 17 1.453 2.051 2.171 1.00 0.00 C ATOM 0 H LEU A 17 4.076 -1.699 4.275 1.00 0.00 H new ATOM 0 HA LEU A 17 4.055 -0.454 1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.892 -1.144 2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.231 0.364 3.821 1.00 0.00 H new ATOM 0 HG LEU A 17 2.275 0.572 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.178 0.502 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.488 -1.082 1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.310 -0.061 2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.942 2.583 1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.851 2.098 3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.422 2.515 2.354 1.00 0.00 H new ATOM 270 N ARG A 18 5.448 1.419 2.364 1.00 0.00 N ATOM 271 CA ARG A 18 6.248 2.561 2.774 1.00 0.00 C ATOM 272 C ARG A 18 5.795 3.814 2.046 1.00 0.00 C ATOM 273 O ARG A 18 5.667 3.818 0.822 1.00 0.00 O ATOM 274 CB ARG A 18 7.732 2.309 2.500 1.00 0.00 C ATOM 275 CG ARG A 18 8.203 0.922 2.907 1.00 0.00 C ATOM 276 CD ARG A 18 9.159 0.338 1.880 1.00 0.00 C ATOM 277 NE ARG A 18 10.550 0.672 2.173 1.00 0.00 N ATOM 278 CZ ARG A 18 11.573 -0.140 1.922 1.00 0.00 C ATOM 279 NH1 ARG A 18 11.360 -1.336 1.386 1.00 0.00 N ATOM 280 NH2 ARG A 18 12.810 0.240 2.210 1.00 0.00 N ATOM 0 H ARG A 18 5.556 1.156 1.384 1.00 0.00 H new ATOM 0 HA ARG A 18 6.110 2.704 3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.925 2.451 1.437 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.322 3.054 3.033 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.696 0.974 3.878 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.342 0.263 3.022 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.045 -0.746 1.854 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.898 0.710 0.889 1.00 0.00 H new ATOM 0 HE ARG A 18 10.748 1.580 2.594 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.410 -1.634 1.166 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.147 -1.957 1.195 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.978 1.156 2.625 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.593 -0.384 2.017 1.00 0.00 H new ATOM 294 N TRP A 19 5.553 4.878 2.800 1.00 0.00 N ATOM 295 CA TRP A 19 5.115 6.127 2.202 1.00 0.00 C ATOM 296 C TRP A 19 5.733 7.332 2.896 1.00 0.00 C ATOM 297 O TRP A 19 6.016 7.302 4.096 1.00 0.00 O ATOM 298 CB TRP A 19 3.584 6.224 2.204 1.00 0.00 C ATOM 299 CG TRP A 19 2.998 6.608 3.527 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.587 7.853 3.909 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.751 5.743 4.640 1.00 0.00 C ATOM 302 NE1 TRP A 19 2.100 7.813 5.194 1.00 0.00 N ATOM 303 CE2 TRP A 19 2.190 6.529 5.664 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.949 4.379 4.870 1.00 0.00 C ATOM 305 CZ2 TRP A 19 1.826 5.996 6.897 1.00 0.00 C ATOM 306 CZ3 TRP A 19 2.587 3.849 6.094 1.00 0.00 C ATOM 307 CH2 TRP A 19 2.030 4.657 7.095 1.00 0.00 C ATOM 0 H TRP A 19 5.652 4.900 3.815 1.00 0.00 H new ATOM 0 HA TRP A 19 5.460 6.133 1.168 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.276 6.955 1.456 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.169 5.263 1.900 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.637 8.738 3.293 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.731 8.610 5.713 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.378 3.750 4.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 1.398 6.617 7.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.736 2.796 6.282 1.00 0.00 H new ATOM 0 HH2 TRP A 19 1.756 4.214 8.041 1.00 0.00 H new ATOM 318 N ARG A 20 5.941 8.388 2.117 1.00 0.00 N ATOM 319 CA ARG A 20 6.528 9.622 2.624 1.00 0.00 C ATOM 320 C ARG A 20 6.113 10.804 1.748 1.00 0.00 C ATOM 321 O ARG A 20 6.004 10.672 0.529 1.00 0.00 O ATOM 322 CB ARG A 20 8.058 9.500 2.672 1.00 0.00 C ATOM 323 CG ARG A 20 8.804 10.763 2.258 1.00 0.00 C ATOM 324 CD ARG A 20 9.196 10.722 0.789 1.00 0.00 C ATOM 325 NE ARG A 20 10.642 10.800 0.602 1.00 0.00 N ATOM 326 CZ ARG A 20 11.236 10.733 -0.586 1.00 0.00 C ATOM 327 NH1 ARG A 20 10.512 10.567 -1.686 1.00 0.00 N ATOM 328 NH2 ARG A 20 12.555 10.827 -0.677 1.00 0.00 N ATOM 0 H ARG A 20 5.709 8.413 1.124 1.00 0.00 H new ATOM 0 HA ARG A 20 6.162 9.796 3.636 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.357 9.232 3.685 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.366 8.681 2.021 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.177 11.635 2.444 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.698 10.876 2.871 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.822 9.801 0.341 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.718 11.549 0.264 1.00 0.00 H new ATOM 0 HE ARG A 20 11.229 10.912 1.428 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.497 10.490 -1.622 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.971 10.516 -2.596 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.117 10.951 0.165 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.008 10.775 -1.589 1.00 0.00 H new ATOM 342 N PRO A 21 5.870 11.976 2.358 1.00 0.00 N ATOM 343 CA PRO A 21 5.460 13.177 1.622 1.00 0.00 C ATOM 344 C PRO A 21 6.468 13.569 0.550 1.00 0.00 C ATOM 345 O PRO A 21 7.571 14.020 0.854 1.00 0.00 O ATOM 346 CB PRO A 21 5.392 14.254 2.708 1.00 0.00 C ATOM 347 CG PRO A 21 5.188 13.497 3.972 1.00 0.00 C ATOM 348 CD PRO A 21 5.961 12.224 3.808 1.00 0.00 C ATOM 0 HA PRO A 21 4.520 13.028 1.091 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.309 14.842 2.741 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.573 14.950 2.526 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.545 14.065 4.831 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.130 13.294 4.141 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.995 12.332 4.136 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.527 11.409 4.387 1.00 0.00 H new ATOM 356 N LYS A 22 6.076 13.394 -0.707 1.00 0.00 N ATOM 357 CA LYS A 22 6.935 13.727 -1.832 1.00 0.00 C ATOM 358 C LYS A 22 6.957 15.233 -2.066 1.00 0.00 C ATOM 359 O LYS A 22 7.901 15.771 -2.645 1.00 0.00 O ATOM 360 CB LYS A 22 6.443 13.013 -3.087 1.00 0.00 C ATOM 361 CG LYS A 22 7.349 13.200 -4.293 1.00 0.00 C ATOM 362 CD LYS A 22 8.469 12.172 -4.310 1.00 0.00 C ATOM 363 CE LYS A 22 9.823 12.824 -4.540 1.00 0.00 C ATOM 364 NZ LYS A 22 10.119 13.865 -3.517 1.00 0.00 N ATOM 0 H LYS A 22 5.164 13.021 -0.971 1.00 0.00 H new ATOM 0 HA LYS A 22 7.949 13.399 -1.603 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.350 11.948 -2.875 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.446 13.377 -3.333 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.762 13.116 -5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.774 14.203 -4.278 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.481 11.631 -3.364 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.279 11.439 -5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.602 12.061 -4.518 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.845 13.274 -5.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.141 14.055 -3.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.608 14.739 -3.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.814 13.529 -2.581 1.00 0.00 H new ATOM 378 N ASN A 23 5.906 15.908 -1.611 1.00 0.00 N ATOM 379 CA ASN A 23 5.795 17.353 -1.769 1.00 0.00 C ATOM 380 C ASN A 23 6.296 18.080 -0.524 1.00 0.00 C ATOM 381 O ASN A 23 6.637 19.261 -0.579 1.00 0.00 O ATOM 382 CB ASN A 23 4.343 17.742 -2.053 1.00 0.00 C ATOM 383 CG ASN A 23 4.216 19.157 -2.579 1.00 0.00 C ATOM 384 OD1 ASN A 23 3.348 19.916 -2.149 1.00 0.00 O ATOM 385 ND2 ASN A 23 5.082 19.519 -3.518 1.00 0.00 N ATOM 0 H ASN A 23 5.118 15.476 -1.129 1.00 0.00 H new ATOM 0 HA ASN A 23 6.417 17.651 -2.613 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.919 17.048 -2.779 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.758 17.643 -1.139 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.044 20.459 -3.912 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.786 18.857 -3.845 1.00 0.00 H new ATOM 392 N SER A 24 6.338 17.365 0.596 1.00 0.00 N ATOM 393 CA SER A 24 6.798 17.942 1.854 1.00 0.00 C ATOM 394 C SER A 24 8.139 17.345 2.271 1.00 0.00 C ATOM 395 O SER A 24 8.673 17.685 3.327 1.00 0.00 O ATOM 396 CB SER A 24 5.758 17.712 2.951 1.00 0.00 C ATOM 397 OG SER A 24 5.017 18.894 3.206 1.00 0.00 O ATOM 0 H SER A 24 6.059 16.386 0.658 1.00 0.00 H new ATOM 0 HA SER A 24 6.932 19.014 1.707 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.081 16.912 2.653 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.254 17.386 3.865 1.00 0.00 H new ATOM 0 HG SER A 24 4.357 18.721 3.910 1.00 0.00 H new ATOM 403 N VAL A 25 8.671 16.458 1.426 1.00 0.00 N ATOM 404 CA VAL A 25 9.955 15.793 1.672 1.00 0.00 C ATOM 405 C VAL A 25 10.195 15.535 3.163 1.00 0.00 C ATOM 406 O VAL A 25 10.842 16.325 3.851 1.00 0.00 O ATOM 407 CB VAL A 25 11.136 16.596 1.079 1.00 0.00 C ATOM 408 CG1 VAL A 25 11.150 18.028 1.596 1.00 0.00 C ATOM 409 CG2 VAL A 25 12.460 15.903 1.371 1.00 0.00 C ATOM 0 H VAL A 25 8.225 16.180 0.552 1.00 0.00 H new ATOM 0 HA VAL A 25 9.901 14.829 1.166 1.00 0.00 H new ATOM 0 HB VAL A 25 11.000 16.636 -0.002 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.993 18.564 1.159 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.220 18.524 1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.247 18.022 2.682 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.277 16.485 0.945 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.597 15.820 2.449 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.455 14.907 0.928 1.00 0.00 H new ATOM 419 N GLY A 26 9.666 14.417 3.654 1.00 0.00 N ATOM 420 CA GLY A 26 9.832 14.070 5.054 1.00 0.00 C ATOM 421 C GLY A 26 10.358 12.660 5.245 1.00 0.00 C ATOM 422 O GLY A 26 11.134 12.165 4.427 1.00 0.00 O ATOM 0 H GLY A 26 9.126 13.746 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.518 14.777 5.521 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.875 14.170 5.566 1.00 0.00 H new ATOM 426 N ARG A 27 9.938 12.014 6.329 1.00 0.00 N ATOM 427 CA ARG A 27 10.375 10.654 6.627 1.00 0.00 C ATOM 428 C ARG A 27 9.352 9.633 6.137 1.00 0.00 C ATOM 429 O ARG A 27 8.179 9.956 5.952 1.00 0.00 O ATOM 430 CB ARG A 27 10.601 10.487 8.131 1.00 0.00 C ATOM 431 CG ARG A 27 11.785 11.279 8.660 1.00 0.00 C ATOM 432 CD ARG A 27 11.719 11.441 10.170 1.00 0.00 C ATOM 433 NE ARG A 27 13.033 11.716 10.747 1.00 0.00 N ATOM 434 CZ ARG A 27 13.267 12.691 11.622 1.00 0.00 C ATOM 435 NH1 ARG A 27 12.278 13.480 12.022 1.00 0.00 N ATOM 436 NH2 ARG A 27 14.490 12.876 12.098 1.00 0.00 N ATOM 0 H ARG A 27 9.296 12.410 7.015 1.00 0.00 H new ATOM 0 HA ARG A 27 11.315 10.478 6.104 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.701 10.797 8.662 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.753 9.431 8.352 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.712 10.775 8.388 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.806 12.262 8.188 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.036 12.254 10.418 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.310 10.534 10.615 1.00 0.00 H new ATOM 0 HE ARG A 27 13.816 11.127 10.463 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.335 13.340 11.659 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.461 14.226 12.693 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.253 12.271 11.794 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.669 13.624 12.769 1.00 0.00 H new ATOM 450 N TRP A 28 9.807 8.400 5.929 1.00 0.00 N ATOM 451 CA TRP A 28 8.932 7.330 5.461 1.00 0.00 C ATOM 452 C TRP A 28 8.259 6.619 6.633 1.00 0.00 C ATOM 453 O TRP A 28 8.574 6.877 7.794 1.00 0.00 O ATOM 454 CB TRP A 28 9.724 6.312 4.635 1.00 0.00 C ATOM 455 CG TRP A 28 10.212 6.847 3.323 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.277 7.677 3.117 1.00 0.00 C ATOM 457 CD2 TRP A 28 9.652 6.583 2.030 1.00 0.00 C ATOM 458 NE1 TRP A 28 11.412 7.946 1.776 1.00 0.00 N ATOM 459 CE2 TRP A 28 10.428 7.286 1.089 1.00 0.00 C ATOM 460 CE3 TRP A 28 8.571 5.821 1.580 1.00 0.00 C ATOM 461 CZ2 TRP A 28 10.155 7.248 -0.275 1.00 0.00 C ATOM 462 CZ3 TRP A 28 8.301 5.785 0.225 1.00 0.00 C ATOM 463 CH2 TRP A 28 9.091 6.494 -0.689 1.00 0.00 C ATOM 0 H TRP A 28 10.776 8.118 6.077 1.00 0.00 H new ATOM 0 HA TRP A 28 8.162 7.782 4.836 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.579 5.971 5.219 1.00 0.00 H new ATOM 0 HB3 TRP A 28 9.096 5.440 4.451 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.919 8.065 3.894 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.129 8.541 1.360 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.958 5.270 2.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 10.762 7.794 -0.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 7.467 5.201 -0.135 1.00 0.00 H new ATOM 0 HH2 TRP A 28 8.855 6.444 -1.742 1.00 0.00 H new ATOM 474 N LYS A 29 7.345 5.710 6.311 1.00 0.00 N ATOM 475 CA LYS A 29 6.630 4.937 7.321 1.00 0.00 C ATOM 476 C LYS A 29 6.362 3.536 6.787 1.00 0.00 C ATOM 477 O LYS A 29 6.322 3.337 5.577 1.00 0.00 O ATOM 478 CB LYS A 29 5.318 5.625 7.701 1.00 0.00 C ATOM 479 CG LYS A 29 5.384 6.358 9.033 1.00 0.00 C ATOM 480 CD LYS A 29 4.039 6.957 9.412 1.00 0.00 C ATOM 481 CE LYS A 29 3.938 7.195 10.911 1.00 0.00 C ATOM 482 NZ LYS A 29 4.002 8.644 11.251 1.00 0.00 N ATOM 0 H LYS A 29 7.080 5.489 5.351 1.00 0.00 H new ATOM 0 HA LYS A 29 7.245 4.869 8.219 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.048 6.333 6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.524 4.879 7.744 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.708 5.668 9.812 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.132 7.149 8.977 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.897 7.899 8.882 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.239 6.289 9.094 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.003 6.776 11.282 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.747 6.668 11.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.930 8.762 12.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.905 9.039 10.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.216 9.144 10.789 1.00 0.00 H new ATOM 496 N GLU A 30 6.199 2.565 7.679 1.00 0.00 N ATOM 497 CA GLU A 30 5.963 1.191 7.249 1.00 0.00 C ATOM 498 C GLU A 30 4.679 0.611 7.834 1.00 0.00 C ATOM 499 O GLU A 30 4.353 0.826 9.002 1.00 0.00 O ATOM 500 CB GLU A 30 7.153 0.308 7.629 1.00 0.00 C ATOM 501 CG GLU A 30 8.484 0.825 7.108 1.00 0.00 C ATOM 502 CD GLU A 30 9.637 0.534 8.050 1.00 0.00 C ATOM 503 OE1 GLU A 30 9.522 -0.412 8.858 1.00 0.00 O ATOM 504 OE2 GLU A 30 10.656 1.253 7.979 1.00 0.00 O ATOM 0 H GLU A 30 6.225 2.700 8.690 1.00 0.00 H new ATOM 0 HA GLU A 30 5.848 1.209 6.165 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.204 0.228 8.715 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.987 -0.698 7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.690 0.372 6.138 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.413 1.901 6.949 1.00 0.00 H new ATOM 511 N ALA A 31 3.969 -0.145 7.001 1.00 0.00 N ATOM 512 CA ALA A 31 2.726 -0.795 7.396 1.00 0.00 C ATOM 513 C ALA A 31 2.660 -2.189 6.781 1.00 0.00 C ATOM 514 O ALA A 31 2.570 -2.332 5.561 1.00 0.00 O ATOM 515 CB ALA A 31 1.529 0.041 6.965 1.00 0.00 C ATOM 0 H ALA A 31 4.240 -0.323 6.034 1.00 0.00 H new ATOM 0 HA ALA A 31 2.699 -0.887 8.482 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.609 -0.458 7.267 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.582 1.022 7.437 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.539 0.159 5.881 1.00 0.00 H new ATOM 521 N THR A 32 2.737 -3.215 7.623 1.00 0.00 N ATOM 522 CA THR A 32 2.719 -4.592 7.144 1.00 0.00 C ATOM 523 C THR A 32 1.311 -5.175 7.081 1.00 0.00 C ATOM 524 O THR A 32 0.566 -5.151 8.061 1.00 0.00 O ATOM 525 CB THR A 32 3.597 -5.502 8.022 1.00 0.00 C ATOM 526 OG1 THR A 32 4.528 -4.711 8.771 1.00 0.00 O ATOM 527 CG2 THR A 32 4.352 -6.509 7.167 1.00 0.00 C ATOM 0 H THR A 32 2.812 -3.119 8.636 1.00 0.00 H new ATOM 0 HA THR A 32 3.121 -4.558 6.131 1.00 0.00 H new ATOM 0 HB THR A 32 2.948 -6.045 8.709 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.081 -5.297 9.328 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.966 -7.142 7.807 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.641 -7.128 6.620 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.991 -5.980 6.460 1.00 0.00 H new ATOM 535 N ILE A 33 0.969 -5.721 5.916 1.00 0.00 N ATOM 536 CA ILE A 33 -0.332 -6.345 5.695 1.00 0.00 C ATOM 537 C ILE A 33 -0.154 -7.646 4.912 1.00 0.00 C ATOM 538 O ILE A 33 0.152 -7.621 3.721 1.00 0.00 O ATOM 539 CB ILE A 33 -1.290 -5.419 4.915 1.00 0.00 C ATOM 540 CG1 ILE A 33 -0.973 -3.948 5.191 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.736 -5.727 5.274 1.00 0.00 C ATOM 542 CD1 ILE A 33 -1.196 -3.048 3.995 1.00 0.00 C ATOM 0 H ILE A 33 1.584 -5.743 5.102 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.769 -6.544 6.673 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.148 -5.603 3.850 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.592 -3.600 6.018 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.065 -3.862 5.512 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.398 -5.066 4.716 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.961 -6.763 5.021 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.886 -5.573 6.343 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.952 -2.020 4.263 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.557 -3.371 3.173 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.240 -3.104 3.687 1.00 0.00 H new ATOM 554 N PRO A 34 -0.325 -8.807 5.572 1.00 0.00 N ATOM 555 CA PRO A 34 -0.158 -10.115 4.927 1.00 0.00 C ATOM 556 C PRO A 34 -1.186 -10.375 3.830 1.00 0.00 C ATOM 557 O PRO A 34 -2.270 -10.896 4.091 1.00 0.00 O ATOM 558 CB PRO A 34 -0.336 -11.119 6.074 1.00 0.00 C ATOM 559 CG PRO A 34 -0.181 -10.321 7.325 1.00 0.00 C ATOM 560 CD PRO A 34 -0.671 -8.941 6.996 1.00 0.00 C ATOM 0 HA PRO A 34 0.808 -10.186 4.427 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.315 -11.596 6.031 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.408 -11.914 6.020 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.759 -10.757 8.140 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.860 -10.299 7.648 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.743 -8.841 7.163 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.181 -8.181 7.605 1.00 0.00 H new ATOM 568 N GLY A 35 -0.830 -10.020 2.599 1.00 0.00 N ATOM 569 CA GLY A 35 -1.726 -10.233 1.478 1.00 0.00 C ATOM 570 C GLY A 35 -2.924 -9.305 1.503 1.00 0.00 C ATOM 571 O GLY A 35 -2.849 -8.199 2.038 1.00 0.00 O ATOM 0 H GLY A 35 0.063 -9.589 2.359 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.178 -10.087 0.547 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.072 -11.267 1.486 1.00 0.00 H new ATOM 575 N HIS A 36 -4.029 -9.757 0.919 1.00 0.00 N ATOM 576 CA HIS A 36 -5.251 -8.959 0.872 1.00 0.00 C ATOM 577 C HIS A 36 -6.306 -9.519 1.822 1.00 0.00 C ATOM 578 O HIS A 36 -7.311 -10.081 1.388 1.00 0.00 O ATOM 579 CB HIS A 36 -5.800 -8.919 -0.557 1.00 0.00 C ATOM 580 CG HIS A 36 -6.653 -7.720 -0.846 1.00 0.00 C ATOM 581 ND1 HIS A 36 -7.226 -7.532 -2.080 1.00 0.00 N ATOM 582 CD2 HIS A 36 -6.995 -6.684 -0.038 1.00 0.00 C ATOM 583 CE1 HIS A 36 -7.899 -6.399 -2.000 1.00 0.00 C ATOM 584 NE2 HIS A 36 -7.790 -5.848 -0.782 1.00 0.00 N ATOM 0 H HIS A 36 -4.104 -10.671 0.472 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.008 -7.945 1.190 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.965 -8.936 -1.257 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.385 -9.821 -0.737 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.699 -6.545 0.991 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -8.466 -5.970 -2.813 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -8.216 -4.976 -0.469 1.00 0.00 H new ATOM 592 N LEU A 37 -6.072 -9.357 3.121 1.00 0.00 N ATOM 593 CA LEU A 37 -7.007 -9.843 4.130 1.00 0.00 C ATOM 594 C LEU A 37 -8.294 -9.027 4.107 1.00 0.00 C ATOM 595 O LEU A 37 -9.375 -9.544 4.393 1.00 0.00 O ATOM 596 CB LEU A 37 -6.374 -9.785 5.525 1.00 0.00 C ATOM 597 CG LEU A 37 -5.454 -8.589 5.776 1.00 0.00 C ATOM 598 CD1 LEU A 37 -5.625 -8.071 7.195 1.00 0.00 C ATOM 599 CD2 LEU A 37 -4.004 -8.973 5.526 1.00 0.00 C ATOM 0 H LEU A 37 -5.245 -8.894 3.499 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.247 -10.881 3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.172 -9.771 6.268 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.805 -10.700 5.686 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.729 -7.794 5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.962 -7.220 7.354 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.658 -7.759 7.346 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.377 -8.862 7.903 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.363 -8.111 5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.722 -9.784 6.197 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.887 -9.299 4.493 1.00 0.00 H new ATOM 611 N ASN A 38 -8.168 -7.750 3.760 1.00 0.00 N ATOM 612 CA ASN A 38 -9.318 -6.854 3.692 1.00 0.00 C ATOM 613 C ASN A 38 -8.930 -5.525 3.051 1.00 0.00 C ATOM 614 O ASN A 38 -7.777 -5.321 2.672 1.00 0.00 O ATOM 615 CB ASN A 38 -9.891 -6.613 5.091 1.00 0.00 C ATOM 616 CG ASN A 38 -9.106 -5.578 5.871 1.00 0.00 C ATOM 617 OD1 ASN A 38 -7.909 -5.739 6.110 1.00 0.00 O ATOM 618 ND2 ASN A 38 -9.780 -4.507 6.274 1.00 0.00 N ATOM 0 H ASN A 38 -7.279 -7.311 3.521 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.081 -7.328 3.075 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.928 -6.288 5.004 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.897 -7.552 5.644 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.306 -3.776 6.804 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -10.772 -4.415 6.053 1.00 0.00 H new ATOM 625 N SER A 39 -9.901 -4.624 2.932 1.00 0.00 N ATOM 626 CA SER A 39 -9.660 -3.315 2.335 1.00 0.00 C ATOM 627 C SER A 39 -8.941 -2.392 3.316 1.00 0.00 C ATOM 628 O SER A 39 -9.536 -1.910 4.280 1.00 0.00 O ATOM 629 CB SER A 39 -10.983 -2.683 1.897 1.00 0.00 C ATOM 630 OG SER A 39 -11.711 -3.557 1.051 1.00 0.00 O ATOM 0 H SER A 39 -10.861 -4.777 3.241 1.00 0.00 H new ATOM 0 HA SER A 39 -9.022 -3.452 1.462 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.581 -2.440 2.775 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.787 -1.746 1.375 1.00 0.00 H new ATOM 0 HG SER A 39 -12.553 -3.130 0.787 1.00 0.00 H new ATOM 636 N TYR A 40 -7.657 -2.151 3.062 1.00 0.00 N ATOM 637 CA TYR A 40 -6.855 -1.287 3.922 1.00 0.00 C ATOM 638 C TYR A 40 -6.241 -0.141 3.125 1.00 0.00 C ATOM 639 O TYR A 40 -5.385 -0.358 2.267 1.00 0.00 O ATOM 640 CB TYR A 40 -5.751 -2.095 4.608 1.00 0.00 C ATOM 641 CG TYR A 40 -5.332 -1.533 5.949 1.00 0.00 C ATOM 642 CD1 TYR A 40 -4.593 -0.359 6.034 1.00 0.00 C ATOM 643 CD2 TYR A 40 -5.673 -2.180 7.130 1.00 0.00 C ATOM 644 CE1 TYR A 40 -4.209 0.156 7.258 1.00 0.00 C ATOM 645 CE2 TYR A 40 -5.293 -1.672 8.358 1.00 0.00 C ATOM 646 CZ TYR A 40 -4.561 -0.505 8.416 1.00 0.00 C ATOM 647 OH TYR A 40 -4.179 0.003 9.637 1.00 0.00 O ATOM 0 H TYR A 40 -7.151 -2.542 2.268 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.513 -0.865 4.682 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.095 -3.120 4.745 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.881 -2.135 3.953 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.314 0.160 5.129 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.245 -3.095 7.088 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.637 1.071 7.307 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.568 -2.186 9.267 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.508 -0.581 10.352 1.00 0.00 H new ATOM 657 N THR A 41 -6.682 1.080 3.415 1.00 0.00 N ATOM 658 CA THR A 41 -6.176 2.260 2.723 1.00 0.00 C ATOM 659 C THR A 41 -5.719 3.329 3.713 1.00 0.00 C ATOM 660 O THR A 41 -6.465 3.716 4.613 1.00 0.00 O ATOM 661 CB THR A 41 -7.242 2.862 1.790 1.00 0.00 C ATOM 662 OG1 THR A 41 -7.753 1.851 0.913 1.00 0.00 O ATOM 663 CG2 THR A 41 -6.662 4.005 0.969 1.00 0.00 C ATOM 0 H THR A 41 -7.388 1.277 4.124 1.00 0.00 H new ATOM 0 HA THR A 41 -5.323 1.935 2.128 1.00 0.00 H new ATOM 0 HB THR A 41 -8.052 3.253 2.406 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.432 2.242 0.324 1.00 0.00 H new ATOM 0 HG21 THR A 41 -7.435 4.414 0.318 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.300 4.786 1.638 1.00 0.00 H new ATOM 0 HG23 THR A 41 -5.835 3.635 0.363 1.00 0.00 H new ATOM 671 N ILE A 42 -4.489 3.805 3.536 1.00 0.00 N ATOM 672 CA ILE A 42 -3.933 4.835 4.407 1.00 0.00 C ATOM 673 C ILE A 42 -4.376 6.222 3.951 1.00 0.00 C ATOM 674 O ILE A 42 -4.152 6.609 2.804 1.00 0.00 O ATOM 675 CB ILE A 42 -2.390 4.770 4.441 1.00 0.00 C ATOM 676 CG1 ILE A 42 -1.930 3.581 5.283 1.00 0.00 C ATOM 677 CG2 ILE A 42 -1.803 6.065 4.987 1.00 0.00 C ATOM 678 CD1 ILE A 42 -0.663 2.933 4.773 1.00 0.00 C ATOM 0 H ILE A 42 -3.859 3.493 2.797 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.310 4.650 5.413 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.031 4.639 3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.771 3.913 6.309 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.725 2.835 5.309 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.715 5.994 5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.104 6.898 4.351 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.169 6.231 6.000 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.396 2.097 5.419 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.823 2.570 3.758 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.145 3.664 4.774 1.00 0.00 H new ATOM 690 N LYS A 43 -5.006 6.964 4.856 1.00 0.00 N ATOM 691 CA LYS A 43 -5.483 8.306 4.543 1.00 0.00 C ATOM 692 C LYS A 43 -4.894 9.333 5.506 1.00 0.00 C ATOM 693 O LYS A 43 -3.838 9.109 6.098 1.00 0.00 O ATOM 694 CB LYS A 43 -7.011 8.350 4.593 1.00 0.00 C ATOM 695 CG LYS A 43 -7.668 8.142 3.239 1.00 0.00 C ATOM 696 CD LYS A 43 -8.735 7.061 3.300 1.00 0.00 C ATOM 697 CE LYS A 43 -10.125 7.661 3.425 1.00 0.00 C ATOM 698 NZ LYS A 43 -10.733 7.382 4.755 1.00 0.00 N ATOM 0 H LYS A 43 -5.198 6.659 5.810 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.155 8.557 3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.366 7.584 5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.326 9.312 4.997 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.115 9.077 2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.911 7.867 2.504 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.682 6.445 2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.542 6.405 4.149 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.071 8.738 3.270 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.766 7.258 2.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.681 7.808 4.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.809 6.354 4.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.135 7.789 5.502 1.00 0.00 H new ATOM 712 N GLY A 44 -5.582 10.462 5.654 1.00 0.00 N ATOM 713 CA GLY A 44 -5.109 11.508 6.541 1.00 0.00 C ATOM 714 C GLY A 44 -4.306 12.558 5.802 1.00 0.00 C ATOM 715 O GLY A 44 -3.600 13.360 6.416 1.00 0.00 O ATOM 0 H GLY A 44 -6.458 10.670 5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.960 11.981 7.031 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.494 11.067 7.326 1.00 0.00 H new ATOM 719 N LEU A 45 -4.413 12.550 4.477 1.00 0.00 N ATOM 720 CA LEU A 45 -3.693 13.501 3.640 1.00 0.00 C ATOM 721 C LEU A 45 -4.627 14.623 3.178 1.00 0.00 C ATOM 722 O LEU A 45 -5.720 14.786 3.719 1.00 0.00 O ATOM 723 CB LEU A 45 -3.060 12.767 2.447 1.00 0.00 C ATOM 724 CG LEU A 45 -2.887 11.257 2.652 1.00 0.00 C ATOM 725 CD1 LEU A 45 -4.083 10.498 2.103 1.00 0.00 C ATOM 726 CD2 LEU A 45 -1.606 10.766 2.001 1.00 0.00 C ATOM 0 H LEU A 45 -4.995 11.892 3.959 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.893 13.960 4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.678 12.933 1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.085 13.208 2.241 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.821 11.069 3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.938 9.429 2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.987 10.821 2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.183 10.698 1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.505 9.692 2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.639 10.973 0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.753 11.280 2.444 1.00 0.00 H new ATOM 738 N LYS A 46 -4.194 15.404 2.188 1.00 0.00 N ATOM 739 CA LYS A 46 -5.003 16.515 1.684 1.00 0.00 C ATOM 740 C LYS A 46 -4.809 16.709 0.179 1.00 0.00 C ATOM 741 O LYS A 46 -3.839 16.225 -0.396 1.00 0.00 O ATOM 742 CB LYS A 46 -4.629 17.800 2.427 1.00 0.00 C ATOM 743 CG LYS A 46 -3.195 18.238 2.190 1.00 0.00 C ATOM 744 CD LYS A 46 -3.117 19.669 1.706 1.00 0.00 C ATOM 745 CE LYS A 46 -2.690 20.613 2.819 1.00 0.00 C ATOM 746 NZ LYS A 46 -3.812 20.925 3.746 1.00 0.00 N ATOM 0 H LYS A 46 -3.294 15.290 1.722 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.053 16.279 1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.301 18.600 2.116 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.784 17.651 3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.626 18.135 3.114 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.731 17.580 1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.410 19.736 0.879 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.089 19.977 1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.870 20.165 3.380 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.311 21.538 2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.479 21.571 4.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.585 21.376 3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.158 20.046 4.181 1.00 0.00 H new ATOM 760 N PRO A 47 -5.734 17.429 -0.484 1.00 0.00 N ATOM 761 CA PRO A 47 -5.646 17.678 -1.927 1.00 0.00 C ATOM 762 C PRO A 47 -4.486 18.596 -2.294 1.00 0.00 C ATOM 763 O PRO A 47 -4.138 19.507 -1.542 1.00 0.00 O ATOM 764 CB PRO A 47 -6.980 18.350 -2.259 1.00 0.00 C ATOM 765 CG PRO A 47 -7.426 18.965 -0.978 1.00 0.00 C ATOM 766 CD PRO A 47 -6.931 18.055 0.112 1.00 0.00 C ATOM 0 HA PRO A 47 -5.466 16.758 -2.482 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.861 19.103 -3.038 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.708 17.625 -2.624 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.017 19.969 -0.864 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.512 19.057 -0.946 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.686 18.609 1.018 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.679 17.311 0.386 1.00 0.00 H new ATOM 774 N GLY A 48 -3.897 18.354 -3.462 1.00 0.00 N ATOM 775 CA GLY A 48 -2.789 19.170 -3.920 1.00 0.00 C ATOM 776 C GLY A 48 -1.440 18.671 -3.438 1.00 0.00 C ATOM 777 O GLY A 48 -0.409 19.269 -3.750 1.00 0.00 O ATOM 0 H GLY A 48 -4.169 17.606 -4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.791 19.196 -5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.934 20.194 -3.577 1.00 0.00 H new ATOM 781 N VAL A 49 -1.437 17.578 -2.680 1.00 0.00 N ATOM 782 CA VAL A 49 -0.189 17.017 -2.169 1.00 0.00 C ATOM 783 C VAL A 49 0.019 15.588 -2.651 1.00 0.00 C ATOM 784 O VAL A 49 -0.916 14.785 -2.672 1.00 0.00 O ATOM 785 CB VAL A 49 -0.125 17.052 -0.627 1.00 0.00 C ATOM 786 CG1 VAL A 49 -1.002 15.971 -0.015 1.00 0.00 C ATOM 787 CG2 VAL A 49 1.314 16.903 -0.158 1.00 0.00 C ATOM 0 H VAL A 49 -2.276 17.067 -2.408 1.00 0.00 H new ATOM 0 HA VAL A 49 0.610 17.646 -2.562 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.506 18.017 -0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.936 16.021 1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.036 16.124 -0.323 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.663 14.992 -0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.346 16.929 0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.715 15.953 -0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.914 17.720 -0.558 1.00 0.00 H new ATOM 797 N VAL A 50 1.249 15.272 -3.036 1.00 0.00 N ATOM 798 CA VAL A 50 1.572 13.937 -3.511 1.00 0.00 C ATOM 799 C VAL A 50 2.543 13.234 -2.564 1.00 0.00 C ATOM 800 O VAL A 50 3.598 13.772 -2.221 1.00 0.00 O ATOM 801 CB VAL A 50 2.173 13.970 -4.946 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.566 13.360 -4.994 1.00 0.00 C ATOM 803 CG2 VAL A 50 1.265 13.245 -5.922 1.00 0.00 C ATOM 0 H VAL A 50 2.036 15.921 -3.028 1.00 0.00 H new ATOM 0 HA VAL A 50 0.638 13.377 -3.540 1.00 0.00 H new ATOM 0 HB VAL A 50 2.253 15.018 -5.234 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.947 13.404 -6.014 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.230 13.918 -4.334 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.520 12.321 -4.668 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.702 13.279 -6.920 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.152 12.207 -5.611 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.288 13.728 -5.937 1.00 0.00 H new ATOM 813 N TYR A 51 2.197 12.014 -2.178 1.00 0.00 N ATOM 814 CA TYR A 51 3.055 11.214 -1.319 1.00 0.00 C ATOM 815 C TYR A 51 3.709 10.146 -2.176 1.00 0.00 C ATOM 816 O TYR A 51 3.476 10.091 -3.384 1.00 0.00 O ATOM 817 CB TYR A 51 2.268 10.552 -0.174 1.00 0.00 C ATOM 818 CG TYR A 51 1.940 11.483 0.966 1.00 0.00 C ATOM 819 CD1 TYR A 51 0.950 12.447 0.841 1.00 0.00 C ATOM 820 CD2 TYR A 51 2.617 11.390 2.173 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.647 13.296 1.889 1.00 0.00 C ATOM 822 CE2 TYR A 51 2.322 12.232 3.224 1.00 0.00 C ATOM 823 CZ TYR A 51 1.336 13.185 3.078 1.00 0.00 C ATOM 824 OH TYR A 51 1.038 14.029 4.124 1.00 0.00 O ATOM 0 H TYR A 51 1.326 11.557 -2.447 1.00 0.00 H new ATOM 0 HA TYR A 51 3.801 11.863 -0.861 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.340 10.144 -0.574 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.846 9.712 0.212 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.408 12.535 -0.089 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.389 10.644 2.292 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.125 14.042 1.777 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.860 12.146 4.156 1.00 0.00 H new ATOM 0 HH TYR A 51 1.613 13.818 4.889 1.00 0.00 H new ATOM 834 N GLU A 52 4.503 9.288 -1.569 1.00 0.00 N ATOM 835 CA GLU A 52 5.142 8.219 -2.320 1.00 0.00 C ATOM 836 C GLU A 52 4.774 6.878 -1.707 1.00 0.00 C ATOM 837 O GLU A 52 4.879 6.705 -0.499 1.00 0.00 O ATOM 838 CB GLU A 52 6.661 8.400 -2.330 1.00 0.00 C ATOM 839 CG GLU A 52 7.198 8.973 -3.631 1.00 0.00 C ATOM 840 CD GLU A 52 7.206 7.956 -4.756 1.00 0.00 C ATOM 841 OE1 GLU A 52 6.134 7.719 -5.350 1.00 0.00 O ATOM 842 OE2 GLU A 52 8.286 7.398 -5.041 1.00 0.00 O ATOM 0 H GLU A 52 4.721 9.305 -0.573 1.00 0.00 H new ATOM 0 HA GLU A 52 4.790 8.252 -3.351 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.945 9.058 -1.509 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.134 7.436 -2.145 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.591 9.829 -3.925 1.00 0.00 H new ATOM 0 HG3 GLU A 52 8.212 9.341 -3.471 1.00 0.00 H new ATOM 849 N GLY A 53 4.326 5.937 -2.533 1.00 0.00 N ATOM 850 CA GLY A 53 3.935 4.636 -2.019 1.00 0.00 C ATOM 851 C GLY A 53 4.712 3.491 -2.633 1.00 0.00 C ATOM 852 O GLY A 53 4.808 3.378 -3.852 1.00 0.00 O ATOM 0 H GLY A 53 4.227 6.050 -3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.076 4.623 -0.938 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.872 4.485 -2.204 1.00 0.00 H new ATOM 856 N GLN A 54 5.259 2.631 -1.780 1.00 0.00 N ATOM 857 CA GLN A 54 6.025 1.474 -2.232 1.00 0.00 C ATOM 858 C GLN A 54 5.618 0.221 -1.462 1.00 0.00 C ATOM 859 O GLN A 54 5.847 0.129 -0.256 1.00 0.00 O ATOM 860 CB GLN A 54 7.523 1.723 -2.053 1.00 0.00 C ATOM 861 CG GLN A 54 7.975 3.101 -2.507 1.00 0.00 C ATOM 862 CD GLN A 54 9.292 3.064 -3.258 1.00 0.00 C ATOM 863 OE1 GLN A 54 9.478 3.778 -4.243 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.214 2.229 -2.794 1.00 0.00 N ATOM 0 H GLN A 54 5.185 2.714 -0.766 1.00 0.00 H new ATOM 0 HA GLN A 54 5.811 1.321 -3.290 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.780 1.595 -1.001 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.076 0.967 -2.611 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.208 3.539 -3.147 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.075 3.751 -1.638 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.016 1.656 -1.974 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.120 2.161 -3.258 1.00 0.00 H new ATOM 873 N LEU A 55 5.025 -0.746 -2.156 1.00 0.00 N ATOM 874 CA LEU A 55 4.609 -1.986 -1.511 1.00 0.00 C ATOM 875 C LEU A 55 5.595 -3.109 -1.809 1.00 0.00 C ATOM 876 O LEU A 55 5.641 -3.633 -2.922 1.00 0.00 O ATOM 877 CB LEU A 55 3.204 -2.390 -1.965 1.00 0.00 C ATOM 878 CG LEU A 55 2.106 -2.223 -0.909 1.00 0.00 C ATOM 879 CD1 LEU A 55 0.767 -2.684 -1.459 1.00 0.00 C ATOM 880 CD2 LEU A 55 2.453 -2.995 0.356 1.00 0.00 C ATOM 0 H LEU A 55 4.824 -0.696 -3.155 1.00 0.00 H new ATOM 0 HA LEU A 55 4.592 -1.813 -0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.938 -1.798 -2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.227 -3.433 -2.281 1.00 0.00 H new ATOM 0 HG LEU A 55 2.033 -1.165 -0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.002 -2.559 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.509 -2.089 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.832 -3.735 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.660 -2.862 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.555 -4.054 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.393 -2.622 0.764 1.00 0.00 H new ATOM 892 N ILE A 56 6.378 -3.473 -0.800 1.00 0.00 N ATOM 893 CA ILE A 56 7.365 -4.532 -0.936 1.00 0.00 C ATOM 894 C ILE A 56 6.942 -5.767 -0.147 1.00 0.00 C ATOM 895 O ILE A 56 6.814 -5.716 1.075 1.00 0.00 O ATOM 896 CB ILE A 56 8.753 -4.068 -0.446 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.300 -2.959 -1.352 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.724 -5.241 -0.399 1.00 0.00 C ATOM 899 CD1 ILE A 56 8.744 -1.586 -1.039 1.00 0.00 C ATOM 0 H ILE A 56 6.346 -3.046 0.126 1.00 0.00 H new ATOM 0 HA ILE A 56 7.430 -4.782 -1.995 1.00 0.00 H new ATOM 0 HB ILE A 56 8.644 -3.669 0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.386 -2.931 -1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.073 -3.205 -2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.697 -4.894 -0.051 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.344 -6.001 0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.826 -5.669 -1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.177 -0.854 -1.721 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.661 -1.596 -1.158 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.994 -1.318 -0.012 1.00 0.00 H new ATOM 911 N SER A 57 6.727 -6.878 -0.848 1.00 0.00 N ATOM 912 CA SER A 57 6.316 -8.113 -0.193 1.00 0.00 C ATOM 913 C SER A 57 7.513 -8.843 0.401 1.00 0.00 C ATOM 914 O SER A 57 8.593 -8.883 -0.181 1.00 0.00 O ATOM 915 CB SER A 57 5.578 -9.030 -1.168 1.00 0.00 C ATOM 916 OG SER A 57 4.191 -9.072 -0.877 1.00 0.00 O ATOM 0 H SER A 57 6.830 -6.947 -1.860 1.00 0.00 H new ATOM 0 HA SER A 57 5.637 -7.844 0.616 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.728 -8.678 -2.188 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.995 -10.036 -1.113 1.00 0.00 H new ATOM 0 HG SER A 57 3.783 -8.211 -1.105 1.00 0.00 H new ATOM 922 N ILE A 58 7.294 -9.395 1.579 1.00 0.00 N ATOM 923 CA ILE A 58 8.315 -10.133 2.315 1.00 0.00 C ATOM 924 C ILE A 58 7.919 -11.592 2.561 1.00 0.00 C ATOM 925 O ILE A 58 6.813 -11.874 3.028 1.00 0.00 O ATOM 926 CB ILE A 58 8.620 -9.478 3.672 1.00 0.00 C ATOM 927 CG1 ILE A 58 8.849 -7.973 3.505 1.00 0.00 C ATOM 928 CG2 ILE A 58 9.836 -10.142 4.300 1.00 0.00 C ATOM 929 CD1 ILE A 58 9.031 -7.238 4.815 1.00 0.00 C ATOM 0 H ILE A 58 6.396 -9.346 2.060 1.00 0.00 H new ATOM 0 HA ILE A 58 9.204 -10.109 1.685 1.00 0.00 H new ATOM 0 HB ILE A 58 7.764 -9.615 4.332 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.731 -7.815 2.884 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.002 -7.542 2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.049 -9.675 5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.635 -11.203 4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.696 -10.024 3.641 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.188 -6.178 4.618 1.00 0.00 H new ATOM 0 HD12 ILE A 58 8.140 -7.365 5.430 1.00 0.00 H new ATOM 0 HD13 ILE A 58 9.896 -7.642 5.342 1.00 0.00 H new ATOM 941 N GLN A 59 8.843 -12.508 2.282 1.00 0.00 N ATOM 942 CA GLN A 59 8.626 -13.927 2.504 1.00 0.00 C ATOM 943 C GLN A 59 9.433 -14.389 3.706 1.00 0.00 C ATOM 944 O GLN A 59 10.042 -13.579 4.405 1.00 0.00 O ATOM 945 CB GLN A 59 9.031 -14.739 1.284 1.00 0.00 C ATOM 946 CG GLN A 59 7.882 -15.013 0.336 1.00 0.00 C ATOM 947 CD GLN A 59 7.138 -16.292 0.670 1.00 0.00 C ATOM 948 OE1 GLN A 59 7.095 -17.225 -0.132 1.00 0.00 O ATOM 949 NE2 GLN A 59 6.550 -16.341 1.859 1.00 0.00 N ATOM 0 H GLN A 59 9.760 -12.284 1.896 1.00 0.00 H new ATOM 0 HA GLN A 59 7.563 -14.083 2.688 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.817 -14.207 0.747 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.456 -15.688 1.613 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.186 -14.175 0.364 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.264 -15.076 -0.683 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.612 -15.543 2.492 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.036 -17.176 2.140 1.00 0.00 H new ATOM 958 N GLN A 60 9.433 -15.691 3.939 1.00 0.00 N ATOM 959 CA GLN A 60 10.169 -16.263 5.057 1.00 0.00 C ATOM 960 C GLN A 60 11.662 -15.952 4.946 1.00 0.00 C ATOM 961 O GLN A 60 12.371 -15.927 5.951 1.00 0.00 O ATOM 962 CB GLN A 60 9.954 -17.778 5.113 1.00 0.00 C ATOM 963 CG GLN A 60 9.839 -18.427 3.743 1.00 0.00 C ATOM 964 CD GLN A 60 10.484 -19.798 3.686 1.00 0.00 C ATOM 965 OE1 GLN A 60 10.918 -20.337 4.703 1.00 0.00 O ATOM 966 NE2 GLN A 60 10.550 -20.371 2.489 1.00 0.00 N ATOM 0 H GLN A 60 8.932 -16.373 3.370 1.00 0.00 H new ATOM 0 HA GLN A 60 9.792 -15.814 5.976 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.783 -18.235 5.654 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.048 -17.987 5.682 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.786 -18.514 3.475 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.305 -17.780 2.999 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.177 -19.888 1.671 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.973 -21.294 2.388 1.00 0.00 H new ATOM 975 N TYR A 61 12.138 -15.711 3.722 1.00 0.00 N ATOM 976 CA TYR A 61 13.550 -15.399 3.505 1.00 0.00 C ATOM 977 C TYR A 61 13.765 -13.904 3.257 1.00 0.00 C ATOM 978 O TYR A 61 14.903 -13.440 3.174 1.00 0.00 O ATOM 979 CB TYR A 61 14.119 -16.216 2.340 1.00 0.00 C ATOM 980 CG TYR A 61 13.172 -16.381 1.174 1.00 0.00 C ATOM 981 CD1 TYR A 61 12.256 -17.425 1.138 1.00 0.00 C ATOM 982 CD2 TYR A 61 13.201 -15.497 0.104 1.00 0.00 C ATOM 983 CE1 TYR A 61 11.394 -17.582 0.071 1.00 0.00 C ATOM 984 CE2 TYR A 61 12.343 -15.648 -0.969 1.00 0.00 C ATOM 985 CZ TYR A 61 11.441 -16.690 -0.980 1.00 0.00 C ATOM 986 OH TYR A 61 10.585 -16.843 -2.046 1.00 0.00 O ATOM 0 H TYR A 61 11.571 -15.726 2.874 1.00 0.00 H new ATOM 0 HA TYR A 61 14.084 -15.670 4.416 1.00 0.00 H new ATOM 0 HB2 TYR A 61 15.031 -15.736 1.987 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.400 -17.203 2.707 1.00 0.00 H new ATOM 0 HD1 TYR A 61 12.218 -18.126 1.959 1.00 0.00 H new ATOM 0 HD2 TYR A 61 13.905 -14.678 0.110 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.687 -18.398 0.059 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.379 -14.953 -1.795 1.00 0.00 H new ATOM 0 HH TYR A 61 10.747 -16.131 -2.700 1.00 0.00 H new ATOM 996 N GLY A 62 12.671 -13.150 3.161 1.00 0.00 N ATOM 997 CA GLY A 62 12.772 -11.712 2.949 1.00 0.00 C ATOM 998 C GLY A 62 12.978 -11.310 1.496 1.00 0.00 C ATOM 999 O GLY A 62 13.508 -12.081 0.697 1.00 0.00 O ATOM 0 H GLY A 62 11.718 -13.507 3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.865 -11.236 3.321 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.601 -11.326 3.542 1.00 0.00 H new ATOM 1003 N HIS A 63 12.559 -10.082 1.170 1.00 0.00 N ATOM 1004 CA HIS A 63 12.693 -9.532 -0.183 1.00 0.00 C ATOM 1005 C HIS A 63 11.892 -10.339 -1.200 1.00 0.00 C ATOM 1006 O HIS A 63 12.363 -11.362 -1.698 1.00 0.00 O ATOM 1007 CB HIS A 63 14.166 -9.490 -0.599 1.00 0.00 C ATOM 1008 CG HIS A 63 15.081 -8.960 0.462 1.00 0.00 C ATOM 1009 ND1 HIS A 63 14.976 -7.669 0.921 1.00 0.00 N ATOM 1010 CD2 HIS A 63 16.096 -9.580 1.113 1.00 0.00 C ATOM 1011 CE1 HIS A 63 15.922 -7.533 1.834 1.00 0.00 C ATOM 1012 NE2 HIS A 63 16.626 -8.664 1.985 1.00 0.00 N ATOM 0 H HIS A 63 12.119 -9.444 1.834 1.00 0.00 H new ATOM 0 HA HIS A 63 12.293 -8.518 -0.165 1.00 0.00 H new ATOM 0 HB2 HIS A 63 14.485 -10.496 -0.871 1.00 0.00 H new ATOM 0 HB3 HIS A 63 14.264 -8.872 -1.492 1.00 0.00 H new ATOM 0 HD2 HIS A 63 16.424 -10.599 0.972 1.00 0.00 H new ATOM 0 HE1 HIS A 63 16.105 -6.625 2.389 1.00 0.00 H new ATOM 0 HE2 HIS A 63 17.406 -8.814 2.625 1.00 0.00 H new ATOM 1020 N GLN A 64 10.679 -9.872 -1.515 1.00 0.00 N ATOM 1021 CA GLN A 64 9.826 -10.566 -2.480 1.00 0.00 C ATOM 1022 C GLN A 64 9.397 -9.660 -3.631 1.00 0.00 C ATOM 1023 O GLN A 64 10.055 -9.595 -4.669 1.00 0.00 O ATOM 1024 CB GLN A 64 8.583 -11.135 -1.802 1.00 0.00 C ATOM 1025 CG GLN A 64 8.895 -12.014 -0.613 1.00 0.00 C ATOM 1026 CD GLN A 64 10.169 -12.811 -0.794 1.00 0.00 C ATOM 1027 OE1 GLN A 64 11.037 -12.819 0.077 1.00 0.00 O ATOM 1028 NE2 GLN A 64 10.288 -13.491 -1.924 1.00 0.00 N ATOM 0 H GLN A 64 10.271 -9.025 -1.119 1.00 0.00 H new ATOM 0 HA GLN A 64 10.426 -11.379 -2.889 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.946 -10.312 -1.478 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.013 -11.711 -2.531 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.983 -11.394 0.279 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.064 -12.699 -0.444 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.544 -13.457 -2.621 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.124 -14.049 -2.098 1.00 0.00 H new ATOM 1037 N GLU A 65 8.265 -8.990 -3.439 1.00 0.00 N ATOM 1038 CA GLU A 65 7.695 -8.110 -4.451 1.00 0.00 C ATOM 1039 C GLU A 65 8.039 -6.647 -4.192 1.00 0.00 C ATOM 1040 O GLU A 65 8.113 -6.215 -3.049 1.00 0.00 O ATOM 1041 CB GLU A 65 6.176 -8.281 -4.466 1.00 0.00 C ATOM 1042 CG GLU A 65 5.558 -8.121 -5.847 1.00 0.00 C ATOM 1043 CD GLU A 65 4.663 -9.284 -6.225 1.00 0.00 C ATOM 1044 OE1 GLU A 65 4.965 -10.424 -5.815 1.00 0.00 O ATOM 1045 OE2 GLU A 65 3.660 -9.055 -6.933 1.00 0.00 O ATOM 0 H GLU A 65 7.719 -9.042 -2.579 1.00 0.00 H new ATOM 0 HA GLU A 65 8.121 -8.385 -5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.926 -9.268 -4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.730 -7.551 -3.791 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.979 -7.198 -5.877 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.352 -8.024 -6.587 1.00 0.00 H new ATOM 1052 N VAL A 66 8.231 -5.888 -5.266 1.00 0.00 N ATOM 1053 CA VAL A 66 8.540 -4.463 -5.160 1.00 0.00 C ATOM 1054 C VAL A 66 7.704 -3.660 -6.153 1.00 0.00 C ATOM 1055 O VAL A 66 7.856 -3.809 -7.366 1.00 0.00 O ATOM 1056 CB VAL A 66 10.032 -4.174 -5.408 1.00 0.00 C ATOM 1057 CG1 VAL A 66 10.337 -2.703 -5.158 1.00 0.00 C ATOM 1058 CG2 VAL A 66 10.906 -5.062 -4.535 1.00 0.00 C ATOM 0 H VAL A 66 8.178 -6.236 -6.223 1.00 0.00 H new ATOM 0 HA VAL A 66 8.298 -4.162 -4.141 1.00 0.00 H new ATOM 0 HB VAL A 66 10.257 -4.400 -6.450 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.396 -2.515 -5.338 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.740 -2.088 -5.831 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.094 -2.451 -4.126 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.956 -4.841 -4.727 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.682 -4.874 -3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 66 10.708 -6.108 -4.767 1.00 0.00 H new ATOM 1068 N THR A 67 6.813 -2.817 -5.637 1.00 0.00 N ATOM 1069 CA THR A 67 5.951 -2.006 -6.493 1.00 0.00 C ATOM 1070 C THR A 67 5.974 -0.536 -6.088 1.00 0.00 C ATOM 1071 O THR A 67 5.878 -0.205 -4.906 1.00 0.00 O ATOM 1072 CB THR A 67 4.498 -2.510 -6.460 1.00 0.00 C ATOM 1073 OG1 THR A 67 4.456 -3.856 -5.969 1.00 0.00 O ATOM 1074 CG2 THR A 67 3.873 -2.453 -7.846 1.00 0.00 C ATOM 0 H THR A 67 6.669 -2.678 -4.637 1.00 0.00 H new ATOM 0 HA THR A 67 6.344 -2.100 -7.505 1.00 0.00 H new ATOM 0 HB THR A 67 3.928 -1.862 -5.794 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.527 -4.168 -5.950 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.846 -2.814 -7.797 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.879 -1.424 -8.206 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.446 -3.080 -8.530 1.00 0.00 H new ATOM 1082 N ARG A 68 6.100 0.339 -7.082 1.00 0.00 N ATOM 1083 CA ARG A 68 6.133 1.778 -6.845 1.00 0.00 C ATOM 1084 C ARG A 68 4.876 2.448 -7.397 1.00 0.00 C ATOM 1085 O ARG A 68 4.520 2.258 -8.559 1.00 0.00 O ATOM 1086 CB ARG A 68 7.381 2.384 -7.488 1.00 0.00 C ATOM 1087 CG ARG A 68 8.594 1.470 -7.425 1.00 0.00 C ATOM 1088 CD ARG A 68 9.032 1.022 -8.810 1.00 0.00 C ATOM 1089 NE ARG A 68 9.548 -0.345 -8.803 1.00 0.00 N ATOM 1090 CZ ARG A 68 10.490 -0.784 -9.635 1.00 0.00 C ATOM 1091 NH1 ARG A 68 11.007 0.030 -10.546 1.00 0.00 N ATOM 1092 NH2 ARG A 68 10.913 -2.038 -9.557 1.00 0.00 N ATOM 0 H ARG A 68 6.181 0.074 -8.064 1.00 0.00 H new ATOM 0 HA ARG A 68 6.166 1.951 -5.769 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.166 2.620 -8.530 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.617 3.325 -6.991 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.416 1.990 -6.934 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.360 0.596 -6.817 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.188 1.088 -9.497 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.801 1.698 -9.184 1.00 0.00 H new ATOM 0 HE ARG A 68 9.165 -1.000 -8.122 1.00 0.00 H new ATOM 0 HH11 ARG A 68 10.683 0.995 -10.610 1.00 0.00 H new ATOM 0 HH12 ARG A 68 11.729 -0.309 -11.182 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.517 -2.667 -8.859 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.635 -2.373 -10.195 1.00 0.00 H new ATOM 1106 N PHE A 69 4.207 3.227 -6.552 1.00 0.00 N ATOM 1107 CA PHE A 69 2.985 3.923 -6.948 1.00 0.00 C ATOM 1108 C PHE A 69 2.974 5.361 -6.456 1.00 0.00 C ATOM 1109 O PHE A 69 3.702 5.723 -5.533 1.00 0.00 O ATOM 1110 CB PHE A 69 1.741 3.187 -6.434 1.00 0.00 C ATOM 1111 CG PHE A 69 1.983 2.337 -5.218 1.00 0.00 C ATOM 1112 CD1 PHE A 69 2.536 1.072 -5.339 1.00 0.00 C ATOM 1113 CD2 PHE A 69 1.645 2.797 -3.955 1.00 0.00 C ATOM 1114 CE1 PHE A 69 2.752 0.286 -4.226 1.00 0.00 C ATOM 1115 CE2 PHE A 69 1.856 2.013 -2.837 1.00 0.00 C ATOM 1116 CZ PHE A 69 2.410 0.757 -2.973 1.00 0.00 C ATOM 0 H PHE A 69 4.491 3.393 -5.586 1.00 0.00 H new ATOM 0 HA PHE A 69 2.964 3.935 -8.038 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.969 3.921 -6.202 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.351 2.556 -7.232 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.801 0.697 -6.316 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.212 3.780 -3.843 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.188 -0.696 -4.334 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.588 2.383 -1.858 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.576 0.142 -2.101 1.00 0.00 H new ATOM 1126 N ASP A 70 2.131 6.175 -7.085 1.00 0.00 N ATOM 1127 CA ASP A 70 2.008 7.577 -6.721 1.00 0.00 C ATOM 1128 C ASP A 70 0.873 7.755 -5.724 1.00 0.00 C ATOM 1129 O ASP A 70 -0.067 6.961 -5.685 1.00 0.00 O ATOM 1130 CB ASP A 70 1.756 8.436 -7.963 1.00 0.00 C ATOM 1131 CG ASP A 70 2.298 7.800 -9.227 1.00 0.00 C ATOM 1132 OD1 ASP A 70 3.537 7.726 -9.371 1.00 0.00 O ATOM 1133 OD2 ASP A 70 1.484 7.379 -10.076 1.00 0.00 O ATOM 0 H ASP A 70 1.523 5.884 -7.851 1.00 0.00 H new ATOM 0 HA ASP A 70 2.942 7.901 -6.262 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.685 8.603 -8.074 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.218 9.414 -7.825 1.00 0.00 H new ATOM 1138 N PHE A 71 1.006 8.762 -4.880 1.00 0.00 N ATOM 1139 CA PHE A 71 0.045 9.017 -3.833 1.00 0.00 C ATOM 1140 C PHE A 71 -0.635 10.375 -3.944 1.00 0.00 C ATOM 1141 O PHE A 71 0.003 11.383 -4.228 1.00 0.00 O ATOM 1142 CB PHE A 71 0.821 9.000 -2.549 1.00 0.00 C ATOM 1143 CG PHE A 71 0.279 8.105 -1.514 1.00 0.00 C ATOM 1144 CD1 PHE A 71 -0.700 8.540 -0.648 1.00 0.00 C ATOM 1145 CD2 PHE A 71 0.784 6.839 -1.395 1.00 0.00 C ATOM 1146 CE1 PHE A 71 -1.176 7.705 0.338 1.00 0.00 C ATOM 1147 CE2 PHE A 71 0.325 5.993 -0.409 1.00 0.00 C ATOM 1148 CZ PHE A 71 -0.660 6.429 0.460 1.00 0.00 C ATOM 0 H PHE A 71 1.783 9.422 -4.904 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.742 8.265 -3.895 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.848 8.704 -2.765 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.859 10.014 -2.150 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -1.096 9.540 -0.743 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.548 6.500 -2.079 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.948 8.045 1.012 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.731 4.997 -0.315 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.026 5.771 1.234 1.00 0.00 H new ATOM 1158 N THR A 72 -1.929 10.386 -3.653 1.00 0.00 N ATOM 1159 CA THR A 72 -2.715 11.605 -3.652 1.00 0.00 C ATOM 1160 C THR A 72 -3.885 11.466 -2.688 1.00 0.00 C ATOM 1161 O THR A 72 -4.171 10.369 -2.209 1.00 0.00 O ATOM 1162 CB THR A 72 -3.222 11.991 -5.051 1.00 0.00 C ATOM 1163 OG1 THR A 72 -3.443 10.815 -5.840 1.00 0.00 O ATOM 1164 CG2 THR A 72 -2.217 12.899 -5.747 1.00 0.00 C ATOM 0 H THR A 72 -2.460 9.549 -3.412 1.00 0.00 H new ATOM 0 HA THR A 72 -2.057 12.410 -3.324 1.00 0.00 H new ATOM 0 HB THR A 72 -4.165 12.527 -4.941 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.767 11.073 -6.728 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.590 13.164 -6.736 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.076 13.805 -5.158 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.264 12.379 -5.846 1.00 0.00 H new