USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 500 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 51 LYS NZ :NH3+ 179:sc= 0.341 (180deg=0) USER MOD Set 1.2: A 61 GLN : amide:sc= -1.62 K(o=-1.3,f=-4.6) USER MOD Set 2.1: A 24 MET CE :methyl -132:sc= -2.08 (180deg=0) USER MOD Set 2.2: A 27 TYR OH : rot 162:sc= 1.35 USER MOD Set 2.3: A 60 HIS : no HD1:sc= -3.94! C(o=-4.7!,f=-14!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -66:sc= 1.15 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.137 K(o=-0.14,f=-1.4!) USER MOD Single : A 28 THR OG1 : rot 106:sc= -0.366 USER MOD Single : A 30 HIS : no HD1:sc= -0.194 K(o=-0.19,f=-0.72) USER MOD Single : A 32 MET CE :methyl -151:sc= -0.204 (180deg=-1.82!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.173 K(o=-0.17,f=-1.8!) USER MOD Single : A 45 MET CE :methyl 165:sc= -0.109 (180deg=-0.787) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 47 ASN : amide:sc= -0.197 K(o=-0.2,f=-0.71) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -160:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -160:sc= 0.902 (180deg=0.658) USER MOD ----------------------------------------------------------------- ATOM 138 N ARG A 13 24.610 -14.974 -12.120 1.00 0.00 N ATOM 139 CA ARG A 13 23.834 -15.002 -13.354 1.00 0.00 C ATOM 140 C ARG A 13 23.812 -16.406 -13.951 1.00 0.00 C ATOM 141 O ARG A 13 22.883 -16.772 -14.673 1.00 0.00 O ATOM 142 CB ARG A 13 24.413 -14.014 -14.369 1.00 0.00 C ATOM 143 CG ARG A 13 25.891 -14.230 -14.653 1.00 0.00 C ATOM 144 CD ARG A 13 26.685 -12.945 -14.476 1.00 0.00 C ATOM 145 NE ARG A 13 26.516 -12.377 -13.142 1.00 0.00 N ATOM 146 CZ ARG A 13 26.963 -11.175 -12.793 1.00 0.00 C ATOM 147 NH1 ARG A 13 27.601 -10.419 -13.676 1.00 0.00 N ATOM 148 NH2 ARG A 13 26.771 -10.727 -11.559 1.00 0.00 N ATOM 0 HA ARG A 13 22.811 -14.711 -13.116 1.00 0.00 H new ATOM 0 HB2 ARG A 13 23.856 -14.097 -15.302 1.00 0.00 H new ATOM 0 HB3 ARG A 13 24.267 -12.999 -14.000 1.00 0.00 H new ATOM 0 HG2 ARG A 13 26.283 -14.996 -13.984 1.00 0.00 H new ATOM 0 HG3 ARG A 13 26.017 -14.600 -15.671 1.00 0.00 H new ATOM 0 HD2 ARG A 13 27.742 -13.144 -14.654 1.00 0.00 H new ATOM 0 HD3 ARG A 13 26.368 -12.217 -15.223 1.00 0.00 H new ATOM 0 HE ARG A 13 26.028 -12.933 -12.439 1.00 0.00 H new ATOM 0 HH11 ARG A 13 27.750 -10.760 -14.626 1.00 0.00 H new ATOM 0 HH12 ARG A 13 27.943 -9.497 -13.405 1.00 0.00 H new ATOM 0 HH21 ARG A 13 26.280 -11.305 -10.877 1.00 0.00 H new ATOM 0 HH22 ARG A 13 27.114 -9.804 -11.292 1.00 0.00 H new ATOM 162 N THR A 14 24.841 -17.190 -13.646 1.00 0.00 N ATOM 163 CA THR A 14 24.941 -18.553 -14.153 1.00 0.00 C ATOM 164 C THR A 14 25.007 -19.561 -13.011 1.00 0.00 C ATOM 165 O THR A 14 24.928 -19.192 -11.839 1.00 0.00 O ATOM 166 CB THR A 14 26.181 -18.729 -15.050 1.00 0.00 C ATOM 167 OG1 THR A 14 27.370 -18.700 -14.253 1.00 0.00 O ATOM 168 CG2 THR A 14 26.245 -17.635 -16.105 1.00 0.00 C ATOM 0 H THR A 14 25.618 -16.904 -13.050 1.00 0.00 H new ATOM 0 HA THR A 14 24.044 -18.737 -14.745 1.00 0.00 H new ATOM 0 HB THR A 14 26.105 -19.693 -15.553 1.00 0.00 H new ATOM 0 HG1 THR A 14 28.154 -18.814 -14.830 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.129 -17.780 -16.726 1.00 0.00 H new ATOM 0 HG22 THR A 14 25.352 -17.678 -16.728 1.00 0.00 H new ATOM 0 HG23 THR A 14 26.300 -16.662 -15.617 1.00 0.00 H new ATOM 176 N VAL A 15 25.152 -20.835 -13.360 1.00 0.00 N ATOM 177 CA VAL A 15 25.230 -21.897 -12.364 1.00 0.00 C ATOM 178 C VAL A 15 26.666 -22.107 -11.897 1.00 0.00 C ATOM 179 O VAL A 15 26.905 -22.591 -10.790 1.00 0.00 O ATOM 180 CB VAL A 15 24.681 -23.226 -12.916 1.00 0.00 C ATOM 181 CG1 VAL A 15 24.800 -24.327 -11.873 1.00 0.00 C ATOM 182 CG2 VAL A 15 23.237 -23.060 -13.365 1.00 0.00 C ATOM 0 H VAL A 15 25.218 -21.157 -14.326 1.00 0.00 H new ATOM 0 HA VAL A 15 24.618 -21.584 -11.518 1.00 0.00 H new ATOM 0 HB VAL A 15 25.276 -23.513 -13.783 1.00 0.00 H new ATOM 0 HG11 VAL A 15 24.407 -25.258 -12.281 1.00 0.00 H new ATOM 0 HG12 VAL A 15 25.848 -24.462 -11.604 1.00 0.00 H new ATOM 0 HG13 VAL A 15 24.230 -24.051 -10.986 1.00 0.00 H new ATOM 0 HG21 VAL A 15 22.865 -24.009 -13.752 1.00 0.00 H new ATOM 0 HG22 VAL A 15 22.626 -22.749 -12.518 1.00 0.00 H new ATOM 0 HG23 VAL A 15 23.184 -22.303 -14.147 1.00 0.00 H new ATOM 192 N SER A 16 27.619 -21.740 -12.748 1.00 0.00 N ATOM 193 CA SER A 16 29.033 -21.892 -12.424 1.00 0.00 C ATOM 194 C SER A 16 29.434 -20.954 -11.290 1.00 0.00 C ATOM 195 O SER A 16 29.984 -21.386 -10.278 1.00 0.00 O ATOM 196 CB SER A 16 29.893 -21.616 -13.658 1.00 0.00 C ATOM 197 OG SER A 16 31.108 -22.344 -13.607 1.00 0.00 O ATOM 0 H SER A 16 27.438 -21.335 -13.667 1.00 0.00 H new ATOM 0 HA SER A 16 29.198 -22.919 -12.098 1.00 0.00 H new ATOM 0 HB2 SER A 16 29.341 -21.887 -14.558 1.00 0.00 H new ATOM 0 HB3 SER A 16 30.107 -20.549 -13.725 1.00 0.00 H new ATOM 0 HG SER A 16 31.639 -22.151 -14.408 1.00 0.00 H new ATOM 203 N GLU A 17 29.154 -19.666 -11.468 1.00 0.00 N ATOM 204 CA GLU A 17 29.487 -18.666 -10.461 1.00 0.00 C ATOM 205 C GLU A 17 28.894 -19.041 -9.105 1.00 0.00 C ATOM 206 O GLU A 17 29.420 -18.662 -8.059 1.00 0.00 O ATOM 207 CB GLU A 17 28.977 -17.289 -10.889 1.00 0.00 C ATOM 208 CG GLU A 17 29.494 -16.843 -12.247 1.00 0.00 C ATOM 209 CD GLU A 17 30.688 -15.915 -12.140 1.00 0.00 C ATOM 210 OE1 GLU A 17 30.627 -14.959 -11.339 1.00 0.00 O ATOM 211 OE2 GLU A 17 31.684 -16.145 -12.857 1.00 0.00 O ATOM 0 H GLU A 17 28.698 -19.292 -12.300 1.00 0.00 H new ATOM 0 HA GLU A 17 30.572 -18.630 -10.367 1.00 0.00 H new ATOM 0 HB2 GLU A 17 27.887 -17.306 -10.912 1.00 0.00 H new ATOM 0 HB3 GLU A 17 29.269 -16.554 -10.139 1.00 0.00 H new ATOM 0 HG2 GLU A 17 29.771 -17.720 -12.832 1.00 0.00 H new ATOM 0 HG3 GLU A 17 28.694 -16.339 -12.789 1.00 0.00 H new ATOM 218 N TRP A 18 27.795 -19.787 -9.133 1.00 0.00 N ATOM 219 CA TRP A 18 27.130 -20.213 -7.907 1.00 0.00 C ATOM 220 C TRP A 18 27.812 -21.442 -7.317 1.00 0.00 C ATOM 221 O TRP A 18 28.254 -21.426 -6.167 1.00 0.00 O ATOM 222 CB TRP A 18 25.656 -20.515 -8.182 1.00 0.00 C ATOM 223 CG TRP A 18 24.958 -21.168 -7.027 1.00 0.00 C ATOM 224 CD1 TRP A 18 24.781 -20.649 -5.776 1.00 0.00 C ATOM 225 CD2 TRP A 18 24.347 -22.463 -7.016 1.00 0.00 C ATOM 226 NE1 TRP A 18 24.097 -21.543 -4.989 1.00 0.00 N ATOM 227 CE2 TRP A 18 23.818 -22.663 -5.726 1.00 0.00 C ATOM 228 CE3 TRP A 18 24.193 -23.472 -7.971 1.00 0.00 C ATOM 229 CZ2 TRP A 18 23.149 -23.831 -5.369 1.00 0.00 C ATOM 230 CZ3 TRP A 18 23.529 -24.630 -7.615 1.00 0.00 C ATOM 231 CH2 TRP A 18 23.013 -24.802 -6.324 1.00 0.00 C ATOM 0 H TRP A 18 27.346 -20.109 -9.990 1.00 0.00 H new ATOM 0 HA TRP A 18 27.199 -19.400 -7.184 1.00 0.00 H new ATOM 0 HB2 TRP A 18 25.142 -19.586 -8.430 1.00 0.00 H new ATOM 0 HB3 TRP A 18 25.582 -21.163 -9.055 1.00 0.00 H new ATOM 0 HD1 TRP A 18 25.128 -19.678 -5.453 1.00 0.00 H new ATOM 0 HE1 TRP A 18 23.839 -21.396 -4.013 1.00 0.00 H new ATOM 0 HE3 TRP A 18 24.586 -23.349 -8.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 22.752 -23.966 -4.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 23.406 -25.416 -8.345 1.00 0.00 H new ATOM 0 HH2 TRP A 18 22.498 -25.719 -6.077 1.00 0.00 H new ATOM 242 N LEU A 19 27.895 -22.505 -8.108 1.00 0.00 N ATOM 243 CA LEU A 19 28.524 -23.744 -7.663 1.00 0.00 C ATOM 244 C LEU A 19 29.952 -23.490 -7.191 1.00 0.00 C ATOM 245 O LEU A 19 30.347 -23.931 -6.112 1.00 0.00 O ATOM 246 CB LEU A 19 28.525 -24.774 -8.793 1.00 0.00 C ATOM 247 CG LEU A 19 27.253 -25.610 -8.940 1.00 0.00 C ATOM 248 CD1 LEU A 19 27.214 -26.289 -10.300 1.00 0.00 C ATOM 249 CD2 LEU A 19 27.160 -26.641 -7.824 1.00 0.00 C ATOM 0 H LEU A 19 27.535 -22.535 -9.062 1.00 0.00 H new ATOM 0 HA LEU A 19 27.947 -24.134 -6.825 1.00 0.00 H new ATOM 0 HB2 LEU A 19 28.704 -24.252 -9.733 1.00 0.00 H new ATOM 0 HB3 LEU A 19 29.365 -25.451 -8.640 1.00 0.00 H new ATOM 0 HG LEU A 19 26.393 -24.944 -8.865 1.00 0.00 H new ATOM 0 HD11 LEU A 19 26.302 -26.879 -10.386 1.00 0.00 H new ATOM 0 HD12 LEU A 19 27.232 -25.533 -11.085 1.00 0.00 H new ATOM 0 HD13 LEU A 19 28.080 -26.942 -10.405 1.00 0.00 H new ATOM 0 HD21 LEU A 19 26.249 -27.227 -7.945 1.00 0.00 H new ATOM 0 HD22 LEU A 19 28.025 -27.303 -7.867 1.00 0.00 H new ATOM 0 HD23 LEU A 19 27.140 -26.133 -6.860 1.00 0.00 H new ATOM 261 N GLU A 20 30.721 -22.773 -8.005 1.00 0.00 N ATOM 262 CA GLU A 20 32.105 -22.460 -7.670 1.00 0.00 C ATOM 263 C GLU A 20 32.195 -21.796 -6.299 1.00 0.00 C ATOM 264 O GLU A 20 33.177 -21.967 -5.577 1.00 0.00 O ATOM 265 CB GLU A 20 32.716 -21.545 -8.733 1.00 0.00 C ATOM 266 CG GLU A 20 32.237 -20.106 -8.646 1.00 0.00 C ATOM 267 CD GLU A 20 32.890 -19.209 -9.680 1.00 0.00 C ATOM 268 OE1 GLU A 20 32.914 -19.593 -10.868 1.00 0.00 O ATOM 269 OE2 GLU A 20 33.378 -18.124 -9.300 1.00 0.00 O ATOM 0 H GLU A 20 30.409 -22.398 -8.901 1.00 0.00 H new ATOM 0 HA GLU A 20 32.665 -23.394 -7.640 1.00 0.00 H new ATOM 0 HB2 GLU A 20 33.802 -21.564 -8.636 1.00 0.00 H new ATOM 0 HB3 GLU A 20 32.477 -21.939 -9.721 1.00 0.00 H new ATOM 0 HG2 GLU A 20 31.155 -20.079 -8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 20 32.446 -19.717 -7.649 1.00 0.00 H new ATOM 276 N SER A 21 31.162 -21.036 -5.947 1.00 0.00 N ATOM 277 CA SER A 21 31.126 -20.342 -4.665 1.00 0.00 C ATOM 278 C SER A 21 31.163 -21.336 -3.508 1.00 0.00 C ATOM 279 O SER A 21 31.623 -21.013 -2.412 1.00 0.00 O ATOM 280 CB SER A 21 29.869 -19.475 -4.566 1.00 0.00 C ATOM 281 OG SER A 21 28.819 -20.170 -3.916 1.00 0.00 O ATOM 0 H SER A 21 30.340 -20.886 -6.531 1.00 0.00 H new ATOM 0 HA SER A 21 32.007 -19.703 -4.601 1.00 0.00 H new ATOM 0 HB2 SER A 21 30.097 -18.560 -4.019 1.00 0.00 H new ATOM 0 HB3 SER A 21 29.549 -19.178 -5.565 1.00 0.00 H new ATOM 0 HG SER A 21 28.538 -20.929 -4.469 1.00 0.00 H new ATOM 287 N ILE A 22 30.676 -22.546 -3.760 1.00 0.00 N ATOM 288 CA ILE A 22 30.655 -23.588 -2.740 1.00 0.00 C ATOM 289 C ILE A 22 31.585 -24.738 -3.110 1.00 0.00 C ATOM 290 O ILE A 22 31.400 -25.870 -2.663 1.00 0.00 O ATOM 291 CB ILE A 22 29.233 -24.140 -2.530 1.00 0.00 C ATOM 292 CG1 ILE A 22 28.650 -24.629 -3.857 1.00 0.00 C ATOM 293 CG2 ILE A 22 28.337 -23.077 -1.912 1.00 0.00 C ATOM 294 CD1 ILE A 22 27.259 -25.210 -3.730 1.00 0.00 C ATOM 0 H ILE A 22 30.291 -22.829 -4.661 1.00 0.00 H new ATOM 0 HA ILE A 22 30.999 -23.130 -1.813 1.00 0.00 H new ATOM 0 HB ILE A 22 29.286 -24.986 -1.845 1.00 0.00 H new ATOM 0 HG12 ILE A 22 28.624 -23.798 -4.561 1.00 0.00 H new ATOM 0 HG13 ILE A 22 29.313 -25.384 -4.279 1.00 0.00 H new ATOM 0 HG21 ILE A 22 27.335 -23.483 -1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 22 28.745 -22.773 -0.948 1.00 0.00 H new ATOM 0 HG23 ILE A 22 28.288 -22.213 -2.574 1.00 0.00 H new ATOM 0 HD11 ILE A 22 26.910 -25.536 -4.710 1.00 0.00 H new ATOM 0 HD12 ILE A 22 27.281 -26.062 -3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.582 -24.451 -3.338 1.00 0.00 H new ATOM 306 N LYS A 23 32.588 -24.441 -3.929 1.00 0.00 N ATOM 307 CA LYS A 23 33.552 -25.448 -4.357 1.00 0.00 C ATOM 308 C LYS A 23 32.842 -26.665 -4.942 1.00 0.00 C ATOM 309 O LYS A 23 33.167 -27.804 -4.608 1.00 0.00 O ATOM 310 CB LYS A 23 34.433 -25.874 -3.181 1.00 0.00 C ATOM 311 CG LYS A 23 35.178 -24.722 -2.531 1.00 0.00 C ATOM 312 CD LYS A 23 34.414 -24.162 -1.343 1.00 0.00 C ATOM 313 CE LYS A 23 35.294 -24.074 -0.105 1.00 0.00 C ATOM 314 NZ LYS A 23 34.502 -23.766 1.118 1.00 0.00 N ATOM 0 H LYS A 23 32.755 -23.510 -4.310 1.00 0.00 H new ATOM 0 HA LYS A 23 34.180 -25.008 -5.131 1.00 0.00 H new ATOM 0 HB2 LYS A 23 33.812 -26.363 -2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 23 35.155 -26.613 -3.528 1.00 0.00 H new ATOM 0 HG2 LYS A 23 36.161 -25.061 -2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 23 35.340 -23.933 -3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 23 34.031 -23.172 -1.590 1.00 0.00 H new ATOM 0 HD3 LYS A 23 33.551 -24.794 -1.133 1.00 0.00 H new ATOM 0 HE2 LYS A 23 35.822 -25.017 0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 23 36.051 -23.303 -0.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 35.138 -23.715 1.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 34.018 -22.854 0.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 33.797 -24.515 1.273 1.00 0.00 H new ATOM 328 N MET A 24 31.873 -26.416 -5.816 1.00 0.00 N ATOM 329 CA MET A 24 31.120 -27.493 -6.449 1.00 0.00 C ATOM 330 C MET A 24 30.959 -27.239 -7.944 1.00 0.00 C ATOM 331 O MET A 24 29.998 -27.697 -8.561 1.00 0.00 O ATOM 332 CB MET A 24 29.744 -27.636 -5.794 1.00 0.00 C ATOM 333 CG MET A 24 29.809 -27.945 -4.307 1.00 0.00 C ATOM 334 SD MET A 24 29.495 -29.683 -3.944 1.00 0.00 S ATOM 335 CE MET A 24 31.128 -30.225 -3.446 1.00 0.00 C ATOM 0 H MET A 24 31.590 -25.479 -6.102 1.00 0.00 H new ATOM 0 HA MET A 24 31.678 -28.420 -6.314 1.00 0.00 H new ATOM 0 HB2 MET A 24 29.183 -26.713 -5.941 1.00 0.00 H new ATOM 0 HB3 MET A 24 29.191 -28.429 -6.298 1.00 0.00 H new ATOM 0 HG2 MET A 24 30.792 -27.670 -3.925 1.00 0.00 H new ATOM 0 HG3 MET A 24 29.079 -27.330 -3.780 1.00 0.00 H new ATOM 0 HE1 MET A 24 31.378 -31.150 -3.965 1.00 0.00 H new ATOM 0 HE2 MET A 24 31.859 -29.457 -3.700 1.00 0.00 H new ATOM 0 HE3 MET A 24 31.142 -30.398 -2.370 1.00 0.00 H new ATOM 345 N GLN A 25 31.907 -26.505 -8.520 1.00 0.00 N ATOM 346 CA GLN A 25 31.868 -26.190 -9.943 1.00 0.00 C ATOM 347 C GLN A 25 31.981 -27.457 -10.785 1.00 0.00 C ATOM 348 O GLN A 25 31.403 -27.546 -11.868 1.00 0.00 O ATOM 349 CB GLN A 25 32.997 -25.222 -10.303 1.00 0.00 C ATOM 350 CG GLN A 25 34.381 -25.746 -9.957 1.00 0.00 C ATOM 351 CD GLN A 25 35.427 -24.649 -9.913 1.00 0.00 C ATOM 352 OE1 GLN A 25 35.807 -24.097 -10.945 1.00 0.00 O ATOM 353 NE2 GLN A 25 35.897 -24.327 -8.713 1.00 0.00 N ATOM 0 H GLN A 25 32.710 -26.118 -8.024 1.00 0.00 H new ATOM 0 HA GLN A 25 30.910 -25.717 -10.159 1.00 0.00 H new ATOM 0 HB2 GLN A 25 32.955 -25.009 -11.371 1.00 0.00 H new ATOM 0 HB3 GLN A 25 32.835 -24.278 -9.783 1.00 0.00 H new ATOM 0 HG2 GLN A 25 34.344 -26.247 -8.989 1.00 0.00 H new ATOM 0 HG3 GLN A 25 34.676 -26.495 -10.692 1.00 0.00 H new ATOM 0 HE21 GLN A 25 35.553 -24.811 -7.884 1.00 0.00 H new ATOM 0 HE22 GLN A 25 36.602 -23.595 -8.621 1.00 0.00 H new ATOM 362 N GLN A 26 32.729 -28.432 -10.280 1.00 0.00 N ATOM 363 CA GLN A 26 32.918 -29.694 -10.986 1.00 0.00 C ATOM 364 C GLN A 26 31.579 -30.375 -11.251 1.00 0.00 C ATOM 365 O GLN A 26 31.446 -31.160 -12.190 1.00 0.00 O ATOM 366 CB GLN A 26 33.826 -30.623 -10.180 1.00 0.00 C ATOM 367 CG GLN A 26 33.168 -31.180 -8.927 1.00 0.00 C ATOM 368 CD GLN A 26 34.091 -31.156 -7.724 1.00 0.00 C ATOM 369 OE1 GLN A 26 35.310 -31.057 -7.864 1.00 0.00 O ATOM 370 NE2 GLN A 26 33.512 -31.247 -6.533 1.00 0.00 N ATOM 0 H GLN A 26 33.214 -28.373 -9.385 1.00 0.00 H new ATOM 0 HA GLN A 26 33.391 -29.478 -11.944 1.00 0.00 H new ATOM 0 HB2 GLN A 26 34.139 -31.452 -10.815 1.00 0.00 H new ATOM 0 HB3 GLN A 26 34.728 -30.080 -9.896 1.00 0.00 H new ATOM 0 HG2 GLN A 26 32.271 -30.602 -8.704 1.00 0.00 H new ATOM 0 HG3 GLN A 26 32.848 -32.205 -9.114 1.00 0.00 H new ATOM 0 HE21 GLN A 26 32.498 -31.328 -6.464 1.00 0.00 H new ATOM 0 HE22 GLN A 26 34.082 -31.236 -5.687 1.00 0.00 H new ATOM 379 N TYR A 27 30.591 -30.069 -10.418 1.00 0.00 N ATOM 380 CA TYR A 27 29.263 -30.655 -10.560 1.00 0.00 C ATOM 381 C TYR A 27 28.448 -29.909 -11.613 1.00 0.00 C ATOM 382 O TYR A 27 27.417 -30.395 -12.078 1.00 0.00 O ATOM 383 CB TYR A 27 28.526 -30.632 -9.219 1.00 0.00 C ATOM 384 CG TYR A 27 28.925 -31.757 -8.291 1.00 0.00 C ATOM 385 CD1 TYR A 27 28.939 -33.075 -8.730 1.00 0.00 C ATOM 386 CD2 TYR A 27 29.290 -31.501 -6.975 1.00 0.00 C ATOM 387 CE1 TYR A 27 29.302 -34.106 -7.884 1.00 0.00 C ATOM 388 CE2 TYR A 27 29.655 -32.525 -6.123 1.00 0.00 C ATOM 389 CZ TYR A 27 29.659 -33.826 -6.582 1.00 0.00 C ATOM 390 OH TYR A 27 30.023 -34.849 -5.737 1.00 0.00 O ATOM 0 H TYR A 27 30.684 -29.419 -9.638 1.00 0.00 H new ATOM 0 HA TYR A 27 29.383 -31.689 -10.884 1.00 0.00 H new ATOM 0 HB2 TYR A 27 28.717 -29.679 -8.725 1.00 0.00 H new ATOM 0 HB3 TYR A 27 27.453 -30.686 -9.402 1.00 0.00 H new ATOM 0 HD1 TYR A 27 28.662 -33.298 -9.750 1.00 0.00 H new ATOM 0 HD2 TYR A 27 29.288 -30.484 -6.612 1.00 0.00 H new ATOM 0 HE1 TYR A 27 29.306 -35.125 -8.241 1.00 0.00 H new ATOM 0 HE2 TYR A 27 29.936 -32.308 -5.103 1.00 0.00 H new ATOM 0 HH TYR A 27 30.517 -34.483 -4.974 1.00 0.00 H new ATOM 400 N THR A 28 28.920 -28.723 -11.985 1.00 0.00 N ATOM 401 CA THR A 28 28.237 -27.908 -12.982 1.00 0.00 C ATOM 402 C THR A 28 27.950 -28.710 -14.246 1.00 0.00 C ATOM 403 O THR A 28 26.857 -28.633 -14.806 1.00 0.00 O ATOM 404 CB THR A 28 29.067 -26.664 -13.355 1.00 0.00 C ATOM 405 OG1 THR A 28 29.395 -25.923 -12.174 1.00 0.00 O ATOM 406 CG2 THR A 28 28.302 -25.774 -14.323 1.00 0.00 C ATOM 0 H THR A 28 29.772 -28.306 -11.611 1.00 0.00 H new ATOM 0 HA THR A 28 27.295 -27.588 -12.536 1.00 0.00 H new ATOM 0 HB THR A 28 29.984 -26.997 -13.841 1.00 0.00 H new ATOM 0 HG1 THR A 28 30.341 -26.057 -11.956 1.00 0.00 H new ATOM 0 HG21 THR A 28 28.907 -24.902 -14.572 1.00 0.00 H new ATOM 0 HG22 THR A 28 28.079 -26.333 -15.232 1.00 0.00 H new ATOM 0 HG23 THR A 28 27.371 -25.448 -13.859 1.00 0.00 H new ATOM 414 N GLU A 29 28.939 -29.481 -14.689 1.00 0.00 N ATOM 415 CA GLU A 29 28.791 -30.298 -15.888 1.00 0.00 C ATOM 416 C GLU A 29 27.569 -31.205 -15.780 1.00 0.00 C ATOM 417 O GLU A 29 26.956 -31.562 -16.787 1.00 0.00 O ATOM 418 CB GLU A 29 30.047 -31.141 -16.115 1.00 0.00 C ATOM 419 CG GLU A 29 31.313 -30.317 -16.277 1.00 0.00 C ATOM 420 CD GLU A 29 32.513 -30.950 -15.601 1.00 0.00 C ATOM 421 OE1 GLU A 29 33.037 -31.950 -16.135 1.00 0.00 O ATOM 422 OE2 GLU A 29 32.928 -30.446 -14.536 1.00 0.00 O ATOM 0 H GLU A 29 29.850 -29.557 -14.236 1.00 0.00 H new ATOM 0 HA GLU A 29 28.652 -29.630 -16.738 1.00 0.00 H new ATOM 0 HB2 GLU A 29 30.173 -31.823 -15.274 1.00 0.00 H new ATOM 0 HB3 GLU A 29 29.907 -31.754 -17.005 1.00 0.00 H new ATOM 0 HG2 GLU A 29 31.525 -30.189 -17.338 1.00 0.00 H new ATOM 0 HG3 GLU A 29 31.150 -29.322 -15.862 1.00 0.00 H new ATOM 429 N HIS A 30 27.220 -31.575 -14.552 1.00 0.00 N ATOM 430 CA HIS A 30 26.070 -32.441 -14.312 1.00 0.00 C ATOM 431 C HIS A 30 24.780 -31.628 -14.259 1.00 0.00 C ATOM 432 O HIS A 30 23.774 -32.002 -14.863 1.00 0.00 O ATOM 433 CB HIS A 30 26.253 -33.216 -13.006 1.00 0.00 C ATOM 434 CG HIS A 30 27.327 -34.258 -13.073 1.00 0.00 C ATOM 435 ND1 HIS A 30 28.599 -33.999 -13.539 1.00 0.00 N ATOM 436 CD2 HIS A 30 27.312 -35.567 -12.729 1.00 0.00 C ATOM 437 CE1 HIS A 30 29.320 -35.104 -13.479 1.00 0.00 C ATOM 438 NE2 HIS A 30 28.563 -36.070 -12.991 1.00 0.00 N ATOM 0 H HIS A 30 27.716 -31.289 -13.708 1.00 0.00 H new ATOM 0 HA HIS A 30 25.999 -33.148 -15.138 1.00 0.00 H new ATOM 0 HB2 HIS A 30 26.489 -32.514 -12.206 1.00 0.00 H new ATOM 0 HB3 HIS A 30 25.310 -33.695 -12.742 1.00 0.00 H new ATOM 0 HD2 HIS A 30 26.473 -36.114 -12.324 1.00 0.00 H new ATOM 0 HE1 HIS A 30 30.353 -35.201 -13.778 1.00 0.00 H new ATOM 0 HE2 HIS A 30 28.859 -37.033 -12.834 1.00 0.00 H new ATOM 446 N PHE A 31 24.816 -30.516 -13.532 1.00 0.00 N ATOM 447 CA PHE A 31 23.649 -29.652 -13.398 1.00 0.00 C ATOM 448 C PHE A 31 23.080 -29.292 -14.768 1.00 0.00 C ATOM 449 O PHE A 31 21.864 -29.240 -14.952 1.00 0.00 O ATOM 450 CB PHE A 31 24.016 -28.378 -12.635 1.00 0.00 C ATOM 451 CG PHE A 31 23.867 -28.508 -11.146 1.00 0.00 C ATOM 452 CD1 PHE A 31 24.919 -28.964 -10.368 1.00 0.00 C ATOM 453 CD2 PHE A 31 22.675 -28.174 -10.524 1.00 0.00 C ATOM 454 CE1 PHE A 31 24.784 -29.085 -8.998 1.00 0.00 C ATOM 455 CE2 PHE A 31 22.534 -28.293 -9.154 1.00 0.00 C ATOM 456 CZ PHE A 31 23.591 -28.748 -8.390 1.00 0.00 C ATOM 0 H PHE A 31 25.641 -30.192 -13.027 1.00 0.00 H new ATOM 0 HA PHE A 31 22.888 -30.195 -12.838 1.00 0.00 H new ATOM 0 HB2 PHE A 31 25.046 -28.109 -12.867 1.00 0.00 H new ATOM 0 HB3 PHE A 31 23.386 -27.560 -12.985 1.00 0.00 H new ATOM 0 HD1 PHE A 31 25.855 -29.228 -10.838 1.00 0.00 H new ATOM 0 HD2 PHE A 31 21.846 -27.816 -11.117 1.00 0.00 H new ATOM 0 HE1 PHE A 31 25.611 -29.443 -8.403 1.00 0.00 H new ATOM 0 HE2 PHE A 31 21.599 -28.031 -8.682 1.00 0.00 H new ATOM 0 HZ PHE A 31 23.485 -28.840 -7.319 1.00 0.00 H new ATOM 466 N MET A 32 23.968 -29.043 -15.724 1.00 0.00 N ATOM 467 CA MET A 32 23.555 -28.688 -17.077 1.00 0.00 C ATOM 468 C MET A 32 22.847 -29.857 -17.754 1.00 0.00 C ATOM 469 O MET A 32 21.793 -29.686 -18.366 1.00 0.00 O ATOM 470 CB MET A 32 24.766 -28.260 -17.907 1.00 0.00 C ATOM 471 CG MET A 32 25.609 -27.183 -17.244 1.00 0.00 C ATOM 472 SD MET A 32 25.626 -25.641 -18.177 1.00 0.00 S ATOM 473 CE MET A 32 25.409 -24.446 -16.861 1.00 0.00 C ATOM 0 H MET A 32 24.978 -29.080 -15.587 1.00 0.00 H new ATOM 0 HA MET A 32 22.857 -27.854 -17.010 1.00 0.00 H new ATOM 0 HB2 MET A 32 25.391 -29.132 -18.099 1.00 0.00 H new ATOM 0 HB3 MET A 32 24.422 -27.896 -18.875 1.00 0.00 H new ATOM 0 HG2 MET A 32 25.225 -26.992 -16.242 1.00 0.00 H new ATOM 0 HG3 MET A 32 26.631 -27.546 -17.130 1.00 0.00 H new ATOM 0 HE1 MET A 32 24.900 -23.564 -17.250 1.00 0.00 H new ATOM 0 HE2 MET A 32 24.811 -24.887 -16.064 1.00 0.00 H new ATOM 0 HE3 MET A 32 26.384 -24.158 -16.467 1.00 0.00 H new ATOM 483 N ALA A 33 23.432 -31.044 -17.639 1.00 0.00 N ATOM 484 CA ALA A 33 22.856 -32.242 -18.238 1.00 0.00 C ATOM 485 C ALA A 33 21.488 -32.550 -17.641 1.00 0.00 C ATOM 486 O ALA A 33 20.653 -33.193 -18.276 1.00 0.00 O ATOM 487 CB ALA A 33 23.793 -33.426 -18.056 1.00 0.00 C ATOM 0 H ALA A 33 24.305 -31.202 -17.136 1.00 0.00 H new ATOM 0 HA ALA A 33 22.725 -32.058 -19.304 1.00 0.00 H new ATOM 0 HB1 ALA A 33 23.350 -34.313 -18.508 1.00 0.00 H new ATOM 0 HB2 ALA A 33 24.748 -33.212 -18.537 1.00 0.00 H new ATOM 0 HB3 ALA A 33 23.954 -33.602 -16.992 1.00 0.00 H new ATOM 493 N ALA A 34 21.265 -32.088 -16.414 1.00 0.00 N ATOM 494 CA ALA A 34 19.997 -32.315 -15.732 1.00 0.00 C ATOM 495 C ALA A 34 18.939 -31.317 -16.193 1.00 0.00 C ATOM 496 O ALA A 34 17.742 -31.587 -16.115 1.00 0.00 O ATOM 497 CB ALA A 34 20.186 -32.227 -14.225 1.00 0.00 C ATOM 0 H ALA A 34 21.946 -31.555 -15.873 1.00 0.00 H new ATOM 0 HA ALA A 34 19.650 -33.316 -15.986 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.231 -32.398 -13.728 1.00 0.00 H new ATOM 0 HB2 ALA A 34 20.903 -32.982 -13.904 1.00 0.00 H new ATOM 0 HB3 ALA A 34 20.559 -31.237 -13.962 1.00 0.00 H new ATOM 503 N GLY A 35 19.391 -30.162 -16.673 1.00 0.00 N ATOM 504 CA GLY A 35 18.471 -29.141 -17.138 1.00 0.00 C ATOM 505 C GLY A 35 18.475 -27.910 -16.254 1.00 0.00 C ATOM 506 O GLY A 35 17.493 -27.169 -16.205 1.00 0.00 O ATOM 0 H GLY A 35 20.378 -29.916 -16.748 1.00 0.00 H new ATOM 0 HA2 GLY A 35 18.736 -28.854 -18.156 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.463 -29.554 -17.175 1.00 0.00 H new ATOM 510 N TYR A 36 19.581 -27.692 -15.552 1.00 0.00 N ATOM 511 CA TYR A 36 19.707 -26.544 -14.662 1.00 0.00 C ATOM 512 C TYR A 36 20.820 -25.611 -15.130 1.00 0.00 C ATOM 513 O TYR A 36 21.802 -25.390 -14.421 1.00 0.00 O ATOM 514 CB TYR A 36 19.985 -27.009 -13.232 1.00 0.00 C ATOM 515 CG TYR A 36 19.018 -28.062 -12.739 1.00 0.00 C ATOM 516 CD1 TYR A 36 17.645 -27.877 -12.846 1.00 0.00 C ATOM 517 CD2 TYR A 36 19.478 -29.242 -12.167 1.00 0.00 C ATOM 518 CE1 TYR A 36 16.758 -28.836 -12.396 1.00 0.00 C ATOM 519 CE2 TYR A 36 18.598 -30.207 -11.715 1.00 0.00 C ATOM 520 CZ TYR A 36 17.240 -29.999 -11.832 1.00 0.00 C ATOM 521 OH TYR A 36 16.359 -30.958 -11.384 1.00 0.00 O ATOM 0 H TYR A 36 20.403 -28.295 -15.582 1.00 0.00 H new ATOM 0 HA TYR A 36 18.765 -25.996 -14.683 1.00 0.00 H new ATOM 0 HB2 TYR A 36 20.999 -27.405 -13.178 1.00 0.00 H new ATOM 0 HB3 TYR A 36 19.943 -26.148 -12.564 1.00 0.00 H new ATOM 0 HD1 TYR A 36 17.265 -26.968 -13.288 1.00 0.00 H new ATOM 0 HD2 TYR A 36 20.541 -29.408 -12.074 1.00 0.00 H new ATOM 0 HE1 TYR A 36 15.694 -28.676 -12.485 1.00 0.00 H new ATOM 0 HE2 TYR A 36 18.972 -31.119 -11.273 1.00 0.00 H new ATOM 0 HH TYR A 36 16.860 -31.715 -11.015 1.00 0.00 H new ATOM 531 N THR A 37 20.659 -25.064 -16.332 1.00 0.00 N ATOM 532 CA THR A 37 21.648 -24.156 -16.897 1.00 0.00 C ATOM 533 C THR A 37 21.494 -22.751 -16.325 1.00 0.00 C ATOM 534 O THR A 37 22.448 -21.974 -16.297 1.00 0.00 O ATOM 535 CB THR A 37 21.536 -24.088 -18.432 1.00 0.00 C ATOM 536 OG1 THR A 37 20.314 -23.443 -18.806 1.00 0.00 O ATOM 537 CG2 THR A 37 21.588 -25.481 -19.040 1.00 0.00 C ATOM 0 H THR A 37 19.852 -25.235 -16.932 1.00 0.00 H new ATOM 0 HA THR A 37 22.628 -24.550 -16.629 1.00 0.00 H new ATOM 0 HB THR A 37 22.380 -23.512 -18.811 1.00 0.00 H new ATOM 0 HG1 THR A 37 20.251 -23.402 -19.783 1.00 0.00 H new ATOM 0 HG21 THR A 37 21.507 -25.408 -20.125 1.00 0.00 H new ATOM 0 HG22 THR A 37 22.533 -25.957 -18.778 1.00 0.00 H new ATOM 0 HG23 THR A 37 20.761 -26.078 -18.654 1.00 0.00 H new ATOM 545 N ALA A 38 20.287 -22.431 -15.869 1.00 0.00 N ATOM 546 CA ALA A 38 20.010 -21.121 -15.295 1.00 0.00 C ATOM 547 C ALA A 38 19.576 -21.240 -13.838 1.00 0.00 C ATOM 548 O ALA A 38 18.966 -22.234 -13.442 1.00 0.00 O ATOM 549 CB ALA A 38 18.943 -20.403 -16.109 1.00 0.00 C ATOM 0 H ALA A 38 19.486 -23.062 -15.886 1.00 0.00 H new ATOM 0 HA ALA A 38 20.930 -20.537 -15.326 1.00 0.00 H new ATOM 0 HB1 ALA A 38 18.746 -19.426 -15.669 1.00 0.00 H new ATOM 0 HB2 ALA A 38 19.291 -20.276 -17.134 1.00 0.00 H new ATOM 0 HB3 ALA A 38 18.026 -20.993 -16.108 1.00 0.00 H new ATOM 555 N ILE A 39 19.894 -20.223 -13.045 1.00 0.00 N ATOM 556 CA ILE A 39 19.536 -20.214 -11.633 1.00 0.00 C ATOM 557 C ILE A 39 18.024 -20.278 -11.448 1.00 0.00 C ATOM 558 O ILE A 39 17.534 -20.738 -10.418 1.00 0.00 O ATOM 559 CB ILE A 39 20.076 -18.959 -10.922 1.00 0.00 C ATOM 560 CG1 ILE A 39 21.580 -18.815 -11.167 1.00 0.00 C ATOM 561 CG2 ILE A 39 19.781 -19.026 -9.431 1.00 0.00 C ATOM 562 CD1 ILE A 39 22.387 -19.999 -10.684 1.00 0.00 C ATOM 0 H ILE A 39 20.399 -19.394 -13.357 1.00 0.00 H new ATOM 0 HA ILE A 39 19.992 -21.098 -11.187 1.00 0.00 H new ATOM 0 HB ILE A 39 19.574 -18.083 -11.333 1.00 0.00 H new ATOM 0 HG12 ILE A 39 21.755 -18.678 -12.234 1.00 0.00 H new ATOM 0 HG13 ILE A 39 21.937 -17.914 -10.667 1.00 0.00 H new ATOM 0 HG21 ILE A 39 20.169 -18.132 -8.943 1.00 0.00 H new ATOM 0 HG22 ILE A 39 18.704 -19.086 -9.276 1.00 0.00 H new ATOM 0 HG23 ILE A 39 20.259 -19.908 -9.005 1.00 0.00 H new ATOM 0 HD11 ILE A 39 23.444 -19.828 -10.890 1.00 0.00 H new ATOM 0 HD12 ILE A 39 22.242 -20.124 -9.611 1.00 0.00 H new ATOM 0 HD13 ILE A 39 22.058 -20.900 -11.202 1.00 0.00 H new ATOM 574 N GLU A 40 17.291 -19.814 -12.456 1.00 0.00 N ATOM 575 CA GLU A 40 15.833 -19.820 -12.404 1.00 0.00 C ATOM 576 C GLU A 40 15.299 -21.241 -12.253 1.00 0.00 C ATOM 577 O GLU A 40 14.258 -21.464 -11.635 1.00 0.00 O ATOM 578 CB GLU A 40 15.254 -19.177 -13.666 1.00 0.00 C ATOM 579 CG GLU A 40 15.916 -17.861 -14.038 1.00 0.00 C ATOM 580 CD GLU A 40 15.023 -16.979 -14.888 1.00 0.00 C ATOM 581 OE1 GLU A 40 14.816 -17.310 -16.074 1.00 0.00 O ATOM 582 OE2 GLU A 40 14.530 -15.956 -14.367 1.00 0.00 O ATOM 0 H GLU A 40 17.682 -19.430 -13.316 1.00 0.00 H new ATOM 0 HA GLU A 40 15.524 -19.241 -11.534 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.357 -19.873 -14.498 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.187 -19.009 -13.521 1.00 0.00 H new ATOM 0 HG2 GLU A 40 16.189 -17.326 -13.128 1.00 0.00 H new ATOM 0 HG3 GLU A 40 16.841 -18.064 -14.578 1.00 0.00 H new ATOM 589 N LYS A 41 16.020 -22.201 -12.824 1.00 0.00 N ATOM 590 CA LYS A 41 15.621 -23.602 -12.754 1.00 0.00 C ATOM 591 C LYS A 41 16.348 -24.318 -11.620 1.00 0.00 C ATOM 592 O LYS A 41 15.817 -25.255 -11.022 1.00 0.00 O ATOM 593 CB LYS A 41 15.911 -24.303 -14.083 1.00 0.00 C ATOM 594 CG LYS A 41 15.258 -23.633 -15.279 1.00 0.00 C ATOM 595 CD LYS A 41 16.292 -23.152 -16.283 1.00 0.00 C ATOM 596 CE LYS A 41 15.764 -21.995 -17.116 1.00 0.00 C ATOM 597 NZ LYS A 41 15.368 -22.431 -18.484 1.00 0.00 N ATOM 0 H LYS A 41 16.884 -22.034 -13.340 1.00 0.00 H new ATOM 0 HA LYS A 41 14.550 -23.640 -12.557 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.989 -24.336 -14.239 1.00 0.00 H new ATOM 0 HB3 LYS A 41 15.566 -25.335 -14.022 1.00 0.00 H new ATOM 0 HG2 LYS A 41 14.578 -24.334 -15.763 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.658 -22.788 -14.941 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.194 -22.841 -15.757 1.00 0.00 H new ATOM 0 HD3 LYS A 41 16.574 -23.975 -16.939 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.905 -21.549 -16.614 1.00 0.00 H new ATOM 0 HE3 LYS A 41 16.528 -21.221 -17.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.013 -21.613 -19.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.193 -22.834 -18.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.620 -23.151 -18.416 1.00 0.00 H new ATOM 611 N VAL A 42 17.565 -23.871 -11.327 1.00 0.00 N ATOM 612 CA VAL A 42 18.364 -24.468 -10.263 1.00 0.00 C ATOM 613 C VAL A 42 17.637 -24.397 -8.925 1.00 0.00 C ATOM 614 O VAL A 42 17.886 -25.203 -8.028 1.00 0.00 O ATOM 615 CB VAL A 42 19.731 -23.771 -10.130 1.00 0.00 C ATOM 616 CG1 VAL A 42 20.533 -24.382 -8.990 1.00 0.00 C ATOM 617 CG2 VAL A 42 20.501 -23.854 -11.439 1.00 0.00 C ATOM 0 H VAL A 42 18.019 -23.097 -11.812 1.00 0.00 H new ATOM 0 HA VAL A 42 18.522 -25.512 -10.533 1.00 0.00 H new ATOM 0 HB VAL A 42 19.562 -22.719 -9.901 1.00 0.00 H new ATOM 0 HG11 VAL A 42 21.496 -23.877 -8.911 1.00 0.00 H new ATOM 0 HG12 VAL A 42 19.984 -24.265 -8.056 1.00 0.00 H new ATOM 0 HG13 VAL A 42 20.694 -25.442 -9.186 1.00 0.00 H new ATOM 0 HG21 VAL A 42 21.464 -23.356 -11.327 1.00 0.00 H new ATOM 0 HG22 VAL A 42 20.661 -24.900 -11.701 1.00 0.00 H new ATOM 0 HG23 VAL A 42 19.930 -23.365 -12.229 1.00 0.00 H new ATOM 627 N VAL A 43 16.735 -23.429 -8.798 1.00 0.00 N ATOM 628 CA VAL A 43 15.970 -23.254 -7.570 1.00 0.00 C ATOM 629 C VAL A 43 14.744 -24.160 -7.552 1.00 0.00 C ATOM 630 O VAL A 43 14.253 -24.533 -6.487 1.00 0.00 O ATOM 631 CB VAL A 43 15.516 -21.792 -7.395 1.00 0.00 C ATOM 632 CG1 VAL A 43 16.711 -20.852 -7.446 1.00 0.00 C ATOM 633 CG2 VAL A 43 14.490 -21.422 -8.455 1.00 0.00 C ATOM 0 H VAL A 43 16.516 -22.754 -9.531 1.00 0.00 H new ATOM 0 HA VAL A 43 16.630 -23.524 -6.745 1.00 0.00 H new ATOM 0 HB VAL A 43 15.046 -21.690 -6.417 1.00 0.00 H new ATOM 0 HG11 VAL A 43 16.371 -19.824 -7.321 1.00 0.00 H new ATOM 0 HG12 VAL A 43 17.407 -21.104 -6.646 1.00 0.00 H new ATOM 0 HG13 VAL A 43 17.213 -20.953 -8.408 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.181 -20.386 -8.316 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.931 -21.539 -9.445 1.00 0.00 H new ATOM 0 HG23 VAL A 43 13.622 -22.075 -8.365 1.00 0.00 H new ATOM 643 N GLN A 44 14.257 -24.511 -8.737 1.00 0.00 N ATOM 644 CA GLN A 44 13.088 -25.374 -8.858 1.00 0.00 C ATOM 645 C GLN A 44 13.390 -26.775 -8.336 1.00 0.00 C ATOM 646 O GLN A 44 12.568 -27.383 -7.651 1.00 0.00 O ATOM 647 CB GLN A 44 12.630 -25.448 -10.315 1.00 0.00 C ATOM 648 CG GLN A 44 12.161 -24.114 -10.874 1.00 0.00 C ATOM 649 CD GLN A 44 11.142 -24.272 -11.985 1.00 0.00 C ATOM 650 OE1 GLN A 44 10.402 -25.255 -12.028 1.00 0.00 O ATOM 651 NE2 GLN A 44 11.098 -23.302 -12.891 1.00 0.00 N ATOM 0 H GLN A 44 14.654 -24.211 -9.628 1.00 0.00 H new ATOM 0 HA GLN A 44 12.288 -24.945 -8.255 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.452 -25.820 -10.927 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.819 -26.172 -10.396 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.727 -23.520 -10.070 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.021 -23.560 -11.251 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.730 -22.505 -12.816 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.432 -23.354 -13.662 1.00 0.00 H new ATOM 660 N MET A 45 14.574 -27.281 -8.665 1.00 0.00 N ATOM 661 CA MET A 45 14.984 -28.610 -8.228 1.00 0.00 C ATOM 662 C MET A 45 14.857 -28.749 -6.714 1.00 0.00 C ATOM 663 O MET A 45 15.011 -27.775 -5.976 1.00 0.00 O ATOM 664 CB MET A 45 16.426 -28.890 -8.658 1.00 0.00 C ATOM 665 CG MET A 45 17.456 -28.066 -7.902 1.00 0.00 C ATOM 666 SD MET A 45 18.665 -29.089 -7.040 1.00 0.00 S ATOM 667 CE MET A 45 19.468 -29.900 -8.420 1.00 0.00 C ATOM 0 H MET A 45 15.266 -26.791 -9.232 1.00 0.00 H new ATOM 0 HA MET A 45 14.324 -29.339 -8.698 1.00 0.00 H new ATOM 0 HB2 MET A 45 16.641 -29.949 -8.512 1.00 0.00 H new ATOM 0 HB3 MET A 45 16.524 -28.689 -9.725 1.00 0.00 H new ATOM 0 HG2 MET A 45 17.974 -27.409 -8.601 1.00 0.00 H new ATOM 0 HG3 MET A 45 16.946 -27.427 -7.181 1.00 0.00 H new ATOM 0 HE1 MET A 45 20.400 -30.354 -8.083 1.00 0.00 H new ATOM 0 HE2 MET A 45 18.812 -30.673 -8.820 1.00 0.00 H new ATOM 0 HE3 MET A 45 19.682 -29.167 -9.198 1.00 0.00 H new ATOM 677 N THR A 46 14.575 -29.965 -6.257 1.00 0.00 N ATOM 678 CA THR A 46 14.426 -30.230 -4.832 1.00 0.00 C ATOM 679 C THR A 46 15.670 -30.903 -4.264 1.00 0.00 C ATOM 680 O THR A 46 16.582 -31.269 -5.005 1.00 0.00 O ATOM 681 CB THR A 46 13.201 -31.122 -4.552 1.00 0.00 C ATOM 682 OG1 THR A 46 12.970 -31.207 -3.141 1.00 0.00 O ATOM 683 CG2 THR A 46 13.406 -32.517 -5.123 1.00 0.00 C ATOM 0 H THR A 46 14.445 -30.782 -6.854 1.00 0.00 H new ATOM 0 HA THR A 46 14.284 -29.265 -4.345 1.00 0.00 H new ATOM 0 HB THR A 46 12.333 -30.673 -5.035 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.189 -31.774 -2.971 1.00 0.00 H new ATOM 0 HG21 THR A 46 12.529 -33.129 -4.913 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.553 -32.451 -6.201 1.00 0.00 H new ATOM 0 HG23 THR A 46 14.284 -32.972 -4.665 1.00 0.00 H new ATOM 691 N ASN A 47 15.701 -31.063 -2.945 1.00 0.00 N ATOM 692 CA ASN A 47 16.835 -31.692 -2.278 1.00 0.00 C ATOM 693 C ASN A 47 17.169 -33.034 -2.922 1.00 0.00 C ATOM 694 O ASN A 47 18.338 -33.369 -3.114 1.00 0.00 O ATOM 695 CB ASN A 47 16.534 -31.888 -0.791 1.00 0.00 C ATOM 696 CG ASN A 47 15.994 -30.629 -0.140 1.00 0.00 C ATOM 697 OD1 ASN A 47 16.271 -29.517 -0.589 1.00 0.00 O ATOM 698 ND2 ASN A 47 15.219 -30.800 0.925 1.00 0.00 N ATOM 0 H ASN A 47 14.954 -30.766 -2.317 1.00 0.00 H new ATOM 0 HA ASN A 47 17.697 -31.034 -2.384 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.810 -32.694 -0.673 1.00 0.00 H new ATOM 0 HB3 ASN A 47 17.444 -32.198 -0.277 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.827 -29.990 1.406 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.016 -31.741 1.262 1.00 0.00 H new ATOM 705 N ASP A 48 16.134 -33.798 -3.254 1.00 0.00 N ATOM 706 CA ASP A 48 16.316 -35.104 -3.878 1.00 0.00 C ATOM 707 C ASP A 48 17.040 -34.971 -5.214 1.00 0.00 C ATOM 708 O ASP A 48 17.930 -35.760 -5.530 1.00 0.00 O ATOM 709 CB ASP A 48 14.964 -35.788 -4.082 1.00 0.00 C ATOM 710 CG ASP A 48 14.040 -35.612 -2.892 1.00 0.00 C ATOM 711 OD1 ASP A 48 13.403 -34.543 -2.790 1.00 0.00 O ATOM 712 OD2 ASP A 48 13.955 -36.543 -2.065 1.00 0.00 O ATOM 0 H ASP A 48 15.160 -33.536 -3.102 1.00 0.00 H new ATOM 0 HA ASP A 48 16.927 -35.715 -3.214 1.00 0.00 H new ATOM 0 HB2 ASP A 48 14.485 -35.382 -4.973 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.122 -36.851 -4.262 1.00 0.00 H new ATOM 717 N ASP A 49 16.651 -33.969 -5.995 1.00 0.00 N ATOM 718 CA ASP A 49 17.262 -33.733 -7.297 1.00 0.00 C ATOM 719 C ASP A 49 18.777 -33.600 -7.171 1.00 0.00 C ATOM 720 O ASP A 49 19.522 -33.995 -8.067 1.00 0.00 O ATOM 721 CB ASP A 49 16.679 -32.472 -7.937 1.00 0.00 C ATOM 722 CG ASP A 49 15.200 -32.609 -8.242 1.00 0.00 C ATOM 723 OD1 ASP A 49 14.621 -33.665 -7.910 1.00 0.00 O ATOM 724 OD2 ASP A 49 14.621 -31.661 -8.813 1.00 0.00 O ATOM 0 H ASP A 49 15.915 -33.307 -5.748 1.00 0.00 H new ATOM 0 HA ASP A 49 17.042 -34.590 -7.934 1.00 0.00 H new ATOM 0 HB2 ASP A 49 16.832 -31.625 -7.269 1.00 0.00 H new ATOM 0 HB3 ASP A 49 17.218 -32.253 -8.858 1.00 0.00 H new ATOM 729 N VAL A 50 19.225 -33.039 -6.052 1.00 0.00 N ATOM 730 CA VAL A 50 20.650 -32.854 -5.808 1.00 0.00 C ATOM 731 C VAL A 50 21.379 -34.192 -5.765 1.00 0.00 C ATOM 732 O VAL A 50 22.591 -34.259 -5.974 1.00 0.00 O ATOM 733 CB VAL A 50 20.900 -32.103 -4.486 1.00 0.00 C ATOM 734 CG1 VAL A 50 22.392 -31.949 -4.233 1.00 0.00 C ATOM 735 CG2 VAL A 50 20.213 -30.746 -4.507 1.00 0.00 C ATOM 0 H VAL A 50 18.621 -32.705 -5.301 1.00 0.00 H new ATOM 0 HA VAL A 50 21.038 -32.259 -6.635 1.00 0.00 H new ATOM 0 HB VAL A 50 20.476 -32.688 -3.670 1.00 0.00 H new ATOM 0 HG11 VAL A 50 22.549 -31.416 -3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.854 -32.934 -4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 50 22.843 -31.386 -5.050 1.00 0.00 H new ATOM 0 HG21 VAL A 50 20.400 -30.229 -3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 50 20.606 -30.152 -5.332 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.140 -30.884 -4.639 1.00 0.00 H new ATOM 745 N LYS A 51 20.633 -35.257 -5.493 1.00 0.00 N ATOM 746 CA LYS A 51 21.207 -36.596 -5.424 1.00 0.00 C ATOM 747 C LYS A 51 21.117 -37.297 -6.776 1.00 0.00 C ATOM 748 O LYS A 51 21.864 -38.236 -7.049 1.00 0.00 O ATOM 749 CB LYS A 51 20.488 -37.427 -4.358 1.00 0.00 C ATOM 750 CG LYS A 51 20.391 -36.734 -3.010 1.00 0.00 C ATOM 751 CD LYS A 51 19.757 -37.636 -1.964 1.00 0.00 C ATOM 752 CE LYS A 51 20.602 -38.876 -1.712 1.00 0.00 C ATOM 753 NZ LYS A 51 21.024 -38.979 -0.287 1.00 0.00 N ATOM 0 H LYS A 51 19.629 -35.219 -5.317 1.00 0.00 H new ATOM 0 HA LYS A 51 22.259 -36.500 -5.153 1.00 0.00 H new ATOM 0 HB2 LYS A 51 19.483 -37.662 -4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 51 21.012 -38.374 -4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.386 -36.437 -2.680 1.00 0.00 H new ATOM 0 HG3 LYS A 51 19.803 -35.822 -3.110 1.00 0.00 H new ATOM 0 HD2 LYS A 51 19.633 -37.084 -1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 51 18.761 -37.933 -2.294 1.00 0.00 H new ATOM 0 HE2 LYS A 51 20.034 -39.765 -1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 51 21.484 -38.850 -2.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 21.583 -39.845 -0.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 21.601 -38.151 -0.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 20.182 -39.012 0.323 1.00 0.00 H new ATOM 767 N ARG A 52 20.200 -36.833 -7.618 1.00 0.00 N ATOM 768 CA ARG A 52 20.014 -37.415 -8.941 1.00 0.00 C ATOM 769 C ARG A 52 20.989 -36.807 -9.945 1.00 0.00 C ATOM 770 O ARG A 52 21.433 -37.477 -10.878 1.00 0.00 O ATOM 771 CB ARG A 52 18.576 -37.202 -9.418 1.00 0.00 C ATOM 772 CG ARG A 52 18.298 -37.781 -10.795 1.00 0.00 C ATOM 773 CD ARG A 52 16.857 -37.546 -11.219 1.00 0.00 C ATOM 774 NE ARG A 52 16.196 -38.783 -11.624 1.00 0.00 N ATOM 775 CZ ARG A 52 15.082 -38.819 -12.346 1.00 0.00 C ATOM 776 NH1 ARG A 52 14.506 -37.691 -12.740 1.00 0.00 N ATOM 777 NH2 ARG A 52 14.540 -39.985 -12.675 1.00 0.00 N ATOM 0 H ARG A 52 19.574 -36.056 -7.407 1.00 0.00 H new ATOM 0 HA ARG A 52 20.212 -38.485 -8.870 1.00 0.00 H new ATOM 0 HB2 ARG A 52 17.893 -37.654 -8.699 1.00 0.00 H new ATOM 0 HB3 ARG A 52 18.362 -36.133 -9.433 1.00 0.00 H new ATOM 0 HG2 ARG A 52 18.971 -37.329 -11.523 1.00 0.00 H new ATOM 0 HG3 ARG A 52 18.507 -38.851 -10.790 1.00 0.00 H new ATOM 0 HD2 ARG A 52 16.306 -37.094 -10.394 1.00 0.00 H new ATOM 0 HD3 ARG A 52 16.834 -36.836 -12.045 1.00 0.00 H new ATOM 0 HE ARG A 52 16.613 -39.668 -11.337 1.00 0.00 H new ATOM 0 HH11 ARG A 52 14.919 -36.793 -12.489 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.650 -37.722 -13.294 1.00 0.00 H new ATOM 0 HH21 ARG A 52 14.979 -40.855 -12.373 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.684 -40.011 -13.230 1.00 0.00 H new ATOM 791 N ILE A 53 21.317 -35.535 -9.747 1.00 0.00 N ATOM 792 CA ILE A 53 22.240 -34.837 -10.634 1.00 0.00 C ATOM 793 C ILE A 53 23.588 -35.547 -10.694 1.00 0.00 C ATOM 794 O ILE A 53 24.295 -35.476 -11.698 1.00 0.00 O ATOM 795 CB ILE A 53 22.459 -33.380 -10.185 1.00 0.00 C ATOM 796 CG1 ILE A 53 22.858 -33.333 -8.709 1.00 0.00 C ATOM 797 CG2 ILE A 53 21.202 -32.557 -10.427 1.00 0.00 C ATOM 798 CD1 ILE A 53 23.370 -31.981 -8.265 1.00 0.00 C ATOM 0 H ILE A 53 20.957 -34.966 -8.980 1.00 0.00 H new ATOM 0 HA ILE A 53 21.787 -34.839 -11.625 1.00 0.00 H new ATOM 0 HB ILE A 53 23.269 -32.951 -10.774 1.00 0.00 H new ATOM 0 HG12 ILE A 53 21.996 -33.604 -8.099 1.00 0.00 H new ATOM 0 HG13 ILE A 53 23.628 -34.082 -8.525 1.00 0.00 H new ATOM 0 HG21 ILE A 53 21.372 -31.530 -10.105 1.00 0.00 H new ATOM 0 HG22 ILE A 53 20.959 -32.568 -11.489 1.00 0.00 H new ATOM 0 HG23 ILE A 53 20.374 -32.983 -9.860 1.00 0.00 H new ATOM 0 HD11 ILE A 53 23.634 -32.021 -7.208 1.00 0.00 H new ATOM 0 HD12 ILE A 53 24.251 -31.716 -8.849 1.00 0.00 H new ATOM 0 HD13 ILE A 53 22.594 -31.230 -8.417 1.00 0.00 H new ATOM 810 N GLY A 54 23.937 -36.234 -9.610 1.00 0.00 N ATOM 811 CA GLY A 54 25.199 -36.949 -9.560 1.00 0.00 C ATOM 812 C GLY A 54 25.779 -37.004 -8.161 1.00 0.00 C ATOM 813 O GLY A 54 26.270 -38.046 -7.725 1.00 0.00 O ATOM 0 H GLY A 54 23.369 -36.308 -8.766 1.00 0.00 H new ATOM 0 HA2 GLY A 54 25.053 -37.964 -9.930 1.00 0.00 H new ATOM 0 HA3 GLY A 54 25.913 -36.467 -10.227 1.00 0.00 H new ATOM 817 N VAL A 55 25.724 -35.880 -7.454 1.00 0.00 N ATOM 818 CA VAL A 55 26.249 -35.804 -6.096 1.00 0.00 C ATOM 819 C VAL A 55 25.689 -36.924 -5.227 1.00 0.00 C ATOM 820 O VAL A 55 24.475 -37.046 -5.060 1.00 0.00 O ATOM 821 CB VAL A 55 25.919 -34.449 -5.442 1.00 0.00 C ATOM 822 CG1 VAL A 55 26.593 -34.333 -4.083 1.00 0.00 C ATOM 823 CG2 VAL A 55 26.336 -33.303 -6.352 1.00 0.00 C ATOM 0 H VAL A 55 25.321 -35.009 -7.799 1.00 0.00 H new ATOM 0 HA VAL A 55 27.331 -35.911 -6.169 1.00 0.00 H new ATOM 0 HB VAL A 55 24.841 -34.391 -5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 55 26.348 -33.369 -3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 55 26.241 -35.134 -3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 55 27.673 -34.413 -4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 55 26.096 -32.353 -5.874 1.00 0.00 H new ATOM 0 HG22 VAL A 55 27.409 -33.356 -6.535 1.00 0.00 H new ATOM 0 HG23 VAL A 55 25.802 -33.378 -7.299 1.00 0.00 H new ATOM 833 N ARG A 56 26.581 -37.740 -4.676 1.00 0.00 N ATOM 834 CA ARG A 56 26.176 -38.852 -3.824 1.00 0.00 C ATOM 835 C ARG A 56 26.751 -38.698 -2.419 1.00 0.00 C ATOM 836 O ARG A 56 26.342 -39.395 -1.489 1.00 0.00 O ATOM 837 CB ARG A 56 26.633 -40.180 -4.431 1.00 0.00 C ATOM 838 CG ARG A 56 28.082 -40.173 -4.891 1.00 0.00 C ATOM 839 CD ARG A 56 28.187 -40.318 -6.401 1.00 0.00 C ATOM 840 NE ARG A 56 29.355 -39.625 -6.938 1.00 0.00 N ATOM 841 CZ ARG A 56 29.531 -39.374 -8.230 1.00 0.00 C ATOM 842 NH1 ARG A 56 28.619 -39.756 -9.113 1.00 0.00 N ATOM 843 NH2 ARG A 56 30.621 -38.738 -8.641 1.00 0.00 N ATOM 0 H ARG A 56 27.589 -37.652 -4.804 1.00 0.00 H new ATOM 0 HA ARG A 56 25.088 -38.847 -3.755 1.00 0.00 H new ATOM 0 HB2 ARG A 56 26.498 -40.972 -3.694 1.00 0.00 H new ATOM 0 HB3 ARG A 56 25.993 -40.422 -5.279 1.00 0.00 H new ATOM 0 HG2 ARG A 56 28.559 -39.244 -4.579 1.00 0.00 H new ATOM 0 HG3 ARG A 56 28.622 -40.987 -4.408 1.00 0.00 H new ATOM 0 HD2 ARG A 56 28.242 -41.375 -6.661 1.00 0.00 H new ATOM 0 HD3 ARG A 56 27.285 -39.922 -6.867 1.00 0.00 H new ATOM 0 HE ARG A 56 30.075 -39.317 -6.285 1.00 0.00 H new ATOM 0 HH11 ARG A 56 27.780 -40.244 -8.801 1.00 0.00 H new ATOM 0 HH12 ARG A 56 28.757 -39.562 -10.105 1.00 0.00 H new ATOM 0 HH21 ARG A 56 31.324 -38.442 -7.964 1.00 0.00 H new ATOM 0 HH22 ARG A 56 30.755 -38.546 -9.634 1.00 0.00 H new ATOM 857 N LEU A 57 27.701 -37.781 -2.271 1.00 0.00 N ATOM 858 CA LEU A 57 28.333 -37.536 -0.980 1.00 0.00 C ATOM 859 C LEU A 57 27.392 -36.778 -0.048 1.00 0.00 C ATOM 860 O LEU A 57 26.488 -36.065 -0.485 1.00 0.00 O ATOM 861 CB LEU A 57 29.629 -36.746 -1.166 1.00 0.00 C ATOM 862 CG LEU A 57 30.791 -37.505 -1.808 1.00 0.00 C ATOM 863 CD1 LEU A 57 32.022 -36.616 -1.904 1.00 0.00 C ATOM 864 CD2 LEU A 57 31.104 -38.768 -1.019 1.00 0.00 C ATOM 0 H LEU A 57 28.050 -37.195 -3.029 1.00 0.00 H new ATOM 0 HA LEU A 57 28.564 -38.501 -0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 57 29.412 -35.869 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 57 29.953 -36.383 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 57 30.497 -37.794 -2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 57 32.838 -37.173 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 57 31.792 -35.741 -2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 57 32.318 -36.296 -0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 57 31.933 -39.295 -1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 57 31.377 -38.501 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 57 30.226 -39.414 -1.003 1.00 0.00 H new ATOM 876 N PRO A 58 27.609 -36.933 1.266 1.00 0.00 N ATOM 877 CA PRO A 58 26.792 -36.269 2.287 1.00 0.00 C ATOM 878 C PRO A 58 27.025 -34.763 2.326 1.00 0.00 C ATOM 879 O PRO A 58 26.078 -33.978 2.323 1.00 0.00 O ATOM 880 CB PRO A 58 27.260 -36.917 3.592 1.00 0.00 C ATOM 881 CG PRO A 58 28.648 -37.378 3.310 1.00 0.00 C ATOM 882 CD PRO A 58 28.668 -37.768 1.858 1.00 0.00 C ATOM 0 HA PRO A 58 25.725 -36.386 2.096 1.00 0.00 H new ATOM 0 HB2 PRO A 58 27.239 -36.205 4.417 1.00 0.00 H new ATOM 0 HB3 PRO A 58 26.616 -37.750 3.874 1.00 0.00 H new ATOM 0 HG2 PRO A 58 29.370 -36.587 3.512 1.00 0.00 H new ATOM 0 HG3 PRO A 58 28.915 -38.223 3.945 1.00 0.00 H new ATOM 0 HD2 PRO A 58 29.638 -37.570 1.402 1.00 0.00 H new ATOM 0 HD3 PRO A 58 28.464 -38.830 1.724 1.00 0.00 H new ATOM 890 N GLY A 59 28.294 -34.365 2.363 1.00 0.00 N ATOM 891 CA GLY A 59 28.628 -32.954 2.403 1.00 0.00 C ATOM 892 C GLY A 59 28.269 -32.237 1.116 1.00 0.00 C ATOM 893 O GLY A 59 27.571 -31.222 1.136 1.00 0.00 O ATOM 0 H GLY A 59 29.096 -34.995 2.366 1.00 0.00 H new ATOM 0 HA2 GLY A 59 28.105 -32.483 3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 59 29.695 -32.842 2.592 1.00 0.00 H new ATOM 897 N HIS A 60 28.747 -32.764 -0.007 1.00 0.00 N ATOM 898 CA HIS A 60 28.473 -32.166 -1.309 1.00 0.00 C ATOM 899 C HIS A 60 26.976 -31.940 -1.498 1.00 0.00 C ATOM 900 O HIS A 60 26.563 -31.014 -2.196 1.00 0.00 O ATOM 901 CB HIS A 60 29.011 -33.060 -2.427 1.00 0.00 C ATOM 902 CG HIS A 60 30.503 -33.195 -2.420 1.00 0.00 C ATOM 903 ND1 HIS A 60 31.217 -33.710 -3.481 1.00 0.00 N ATOM 904 CD2 HIS A 60 31.416 -32.876 -1.473 1.00 0.00 C ATOM 905 CE1 HIS A 60 32.505 -33.705 -3.187 1.00 0.00 C ATOM 906 NE2 HIS A 60 32.653 -33.203 -1.974 1.00 0.00 N ATOM 0 H HIS A 60 29.326 -33.603 -0.042 1.00 0.00 H new ATOM 0 HA HIS A 60 28.977 -31.200 -1.352 1.00 0.00 H new ATOM 0 HB2 HIS A 60 28.564 -34.050 -2.336 1.00 0.00 H new ATOM 0 HB3 HIS A 60 28.695 -32.655 -3.389 1.00 0.00 H new ATOM 0 HD2 HIS A 60 31.211 -32.445 -0.504 1.00 0.00 H new ATOM 0 HE1 HIS A 60 33.301 -34.052 -3.829 1.00 0.00 H new ATOM 0 HE2 HIS A 60 33.541 -33.078 -1.488 1.00 0.00 H new ATOM 914 N GLN A 61 26.170 -32.792 -0.873 1.00 0.00 N ATOM 915 CA GLN A 61 24.719 -32.685 -0.975 1.00 0.00 C ATOM 916 C GLN A 61 24.201 -31.509 -0.153 1.00 0.00 C ATOM 917 O GLN A 61 23.574 -30.593 -0.686 1.00 0.00 O ATOM 918 CB GLN A 61 24.057 -33.981 -0.506 1.00 0.00 C ATOM 919 CG GLN A 61 23.943 -35.035 -1.596 1.00 0.00 C ATOM 920 CD GLN A 61 23.312 -36.321 -1.101 1.00 0.00 C ATOM 921 OE1 GLN A 61 22.612 -36.333 -0.088 1.00 0.00 O ATOM 922 NE2 GLN A 61 23.557 -37.414 -1.815 1.00 0.00 N ATOM 0 H GLN A 61 26.497 -33.563 -0.291 1.00 0.00 H new ATOM 0 HA GLN A 61 24.465 -32.514 -2.021 1.00 0.00 H new ATOM 0 HB2 GLN A 61 24.629 -34.391 0.326 1.00 0.00 H new ATOM 0 HB3 GLN A 61 23.061 -33.754 -0.126 1.00 0.00 H new ATOM 0 HG2 GLN A 61 23.350 -34.638 -2.420 1.00 0.00 H new ATOM 0 HG3 GLN A 61 24.935 -35.251 -1.993 1.00 0.00 H new ATOM 0 HE21 GLN A 61 24.143 -37.358 -2.648 1.00 0.00 H new ATOM 0 HE22 GLN A 61 23.159 -38.309 -1.530 1.00 0.00 H new ATOM 931 N LYS A 62 24.467 -31.541 1.148 1.00 0.00 N ATOM 932 CA LYS A 62 24.028 -30.478 2.045 1.00 0.00 C ATOM 933 C LYS A 62 24.569 -29.126 1.592 1.00 0.00 C ATOM 934 O LYS A 62 23.893 -28.104 1.712 1.00 0.00 O ATOM 935 CB LYS A 62 24.487 -30.769 3.476 1.00 0.00 C ATOM 936 CG LYS A 62 23.742 -31.919 4.132 1.00 0.00 C ATOM 937 CD LYS A 62 24.396 -32.334 5.439 1.00 0.00 C ATOM 938 CE LYS A 62 24.072 -33.778 5.790 1.00 0.00 C ATOM 939 NZ LYS A 62 24.656 -34.175 7.101 1.00 0.00 N ATOM 0 H LYS A 62 24.985 -32.292 1.605 1.00 0.00 H new ATOM 0 HA LYS A 62 22.939 -30.441 2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 62 25.553 -30.996 3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 62 24.357 -29.871 4.080 1.00 0.00 H new ATOM 0 HG2 LYS A 62 22.709 -31.625 4.318 1.00 0.00 H new ATOM 0 HG3 LYS A 62 23.714 -32.770 3.452 1.00 0.00 H new ATOM 0 HD2 LYS A 62 25.476 -32.211 5.362 1.00 0.00 H new ATOM 0 HD3 LYS A 62 24.057 -31.678 6.241 1.00 0.00 H new ATOM 0 HE2 LYS A 62 22.990 -33.911 5.819 1.00 0.00 H new ATOM 0 HE3 LYS A 62 24.453 -34.436 5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 24.413 -35.166 7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 25.690 -34.073 7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 24.273 -33.564 7.851 1.00 0.00 H new ATOM 953 N ARG A 63 25.791 -29.128 1.069 1.00 0.00 N ATOM 954 CA ARG A 63 26.422 -27.901 0.597 1.00 0.00 C ATOM 955 C ARG A 63 25.558 -27.216 -0.458 1.00 0.00 C ATOM 956 O ARG A 63 25.267 -26.024 -0.358 1.00 0.00 O ATOM 957 CB ARG A 63 27.806 -28.203 0.021 1.00 0.00 C ATOM 958 CG ARG A 63 28.616 -26.958 -0.303 1.00 0.00 C ATOM 959 CD ARG A 63 30.064 -27.104 0.139 1.00 0.00 C ATOM 960 NE ARG A 63 30.621 -25.840 0.613 1.00 0.00 N ATOM 961 CZ ARG A 63 30.418 -25.359 1.834 1.00 0.00 C ATOM 962 NH1 ARG A 63 29.674 -26.032 2.700 1.00 0.00 N ATOM 963 NH2 ARG A 63 30.959 -24.201 2.191 1.00 0.00 N ATOM 0 H ARG A 63 26.364 -29.965 0.961 1.00 0.00 H new ATOM 0 HA ARG A 63 26.529 -27.227 1.447 1.00 0.00 H new ATOM 0 HB2 ARG A 63 28.362 -28.812 0.734 1.00 0.00 H new ATOM 0 HB3 ARG A 63 27.691 -28.798 -0.885 1.00 0.00 H new ATOM 0 HG2 ARG A 63 28.579 -26.768 -1.376 1.00 0.00 H new ATOM 0 HG3 ARG A 63 28.170 -26.094 0.189 1.00 0.00 H new ATOM 0 HD2 ARG A 63 30.128 -27.849 0.933 1.00 0.00 H new ATOM 0 HD3 ARG A 63 30.662 -27.474 -0.694 1.00 0.00 H new ATOM 0 HE ARG A 63 31.198 -25.297 -0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 63 29.256 -26.922 2.429 1.00 0.00 H new ATOM 0 HH12 ARG A 63 29.520 -25.660 3.637 1.00 0.00 H new ATOM 0 HH21 ARG A 63 31.531 -23.679 1.527 1.00 0.00 H new ATOM 0 HH22 ARG A 63 30.802 -23.833 3.129 1.00 0.00 H new ATOM 977 N ILE A 64 25.152 -27.978 -1.468 1.00 0.00 N ATOM 978 CA ILE A 64 24.322 -27.445 -2.540 1.00 0.00 C ATOM 979 C ILE A 64 22.897 -27.194 -2.059 1.00 0.00 C ATOM 980 O ILE A 64 22.348 -26.109 -2.252 1.00 0.00 O ATOM 981 CB ILE A 64 24.283 -28.398 -3.749 1.00 0.00 C ATOM 982 CG1 ILE A 64 25.697 -28.644 -4.278 1.00 0.00 C ATOM 983 CG2 ILE A 64 23.393 -27.829 -4.844 1.00 0.00 C ATOM 984 CD1 ILE A 64 25.745 -29.585 -5.462 1.00 0.00 C ATOM 0 H ILE A 64 25.385 -28.966 -1.566 1.00 0.00 H new ATOM 0 HA ILE A 64 24.771 -26.500 -2.847 1.00 0.00 H new ATOM 0 HB ILE A 64 23.865 -29.352 -3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 64 26.140 -27.690 -4.564 1.00 0.00 H new ATOM 0 HG13 ILE A 64 26.311 -29.052 -3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 64 23.376 -28.514 -5.692 1.00 0.00 H new ATOM 0 HG22 ILE A 64 22.381 -27.701 -4.460 1.00 0.00 H new ATOM 0 HG23 ILE A 64 23.784 -26.864 -5.166 1.00 0.00 H new ATOM 0 HD11 ILE A 64 26.779 -29.713 -5.784 1.00 0.00 H new ATOM 0 HD12 ILE A 64 25.332 -30.552 -5.175 1.00 0.00 H new ATOM 0 HD13 ILE A 64 25.159 -29.169 -6.281 1.00 0.00 H new ATOM 996 N ALA A 65 22.304 -28.203 -1.430 1.00 0.00 N ATOM 997 CA ALA A 65 20.944 -28.090 -0.917 1.00 0.00 C ATOM 998 C ALA A 65 20.786 -26.847 -0.049 1.00 0.00 C ATOM 999 O ALA A 65 19.913 -26.014 -0.295 1.00 0.00 O ATOM 1000 CB ALA A 65 20.573 -29.337 -0.129 1.00 0.00 C ATOM 0 H ALA A 65 22.744 -29.108 -1.263 1.00 0.00 H new ATOM 0 HA ALA A 65 20.268 -27.995 -1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 65 19.555 -29.239 0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 65 20.637 -30.210 -0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.261 -29.456 0.708 1.00 0.00 H new ATOM 1006 N TYR A 66 21.634 -26.728 0.966 1.00 0.00 N ATOM 1007 CA TYR A 66 21.586 -25.587 1.872 1.00 0.00 C ATOM 1008 C TYR A 66 21.697 -24.274 1.102 1.00 0.00 C ATOM 1009 O TYR A 66 21.062 -23.280 1.454 1.00 0.00 O ATOM 1010 CB TYR A 66 22.711 -25.681 2.905 1.00 0.00 C ATOM 1011 CG TYR A 66 22.491 -24.809 4.120 1.00 0.00 C ATOM 1012 CD1 TYR A 66 21.324 -24.906 4.868 1.00 0.00 C ATOM 1013 CD2 TYR A 66 23.452 -23.889 4.522 1.00 0.00 C ATOM 1014 CE1 TYR A 66 21.120 -24.110 5.979 1.00 0.00 C ATOM 1015 CE2 TYR A 66 23.257 -23.090 5.632 1.00 0.00 C ATOM 1016 CZ TYR A 66 22.089 -23.204 6.357 1.00 0.00 C ATOM 1017 OH TYR A 66 21.889 -22.411 7.464 1.00 0.00 O ATOM 0 H TYR A 66 22.363 -27.408 1.182 1.00 0.00 H new ATOM 0 HA TYR A 66 20.626 -25.605 2.387 1.00 0.00 H new ATOM 0 HB2 TYR A 66 22.813 -26.718 3.226 1.00 0.00 H new ATOM 0 HB3 TYR A 66 23.652 -25.400 2.432 1.00 0.00 H new ATOM 0 HD1 TYR A 66 20.564 -25.615 4.576 1.00 0.00 H new ATOM 0 HD2 TYR A 66 24.368 -23.797 3.957 1.00 0.00 H new ATOM 0 HE1 TYR A 66 20.206 -24.197 6.548 1.00 0.00 H new ATOM 0 HE2 TYR A 66 24.014 -22.380 5.930 1.00 0.00 H new ATOM 0 HH TYR A 66 22.667 -21.829 7.594 1.00 0.00 H new ATOM 1027 N SER A 67 22.508 -24.280 0.049 1.00 0.00 N ATOM 1028 CA SER A 67 22.705 -23.090 -0.770 1.00 0.00 C ATOM 1029 C SER A 67 21.429 -22.734 -1.528 1.00 0.00 C ATOM 1030 O SER A 67 21.129 -21.559 -1.745 1.00 0.00 O ATOM 1031 CB SER A 67 23.854 -23.309 -1.757 1.00 0.00 C ATOM 1032 OG SER A 67 24.949 -22.460 -1.460 1.00 0.00 O ATOM 0 H SER A 67 23.039 -25.095 -0.257 1.00 0.00 H new ATOM 0 HA SER A 67 22.957 -22.261 -0.108 1.00 0.00 H new ATOM 0 HB2 SER A 67 24.176 -24.350 -1.720 1.00 0.00 H new ATOM 0 HB3 SER A 67 23.507 -23.118 -2.773 1.00 0.00 H new ATOM 0 HG SER A 67 25.522 -22.377 -2.251 1.00 0.00 H new ATOM 1038 N LEU A 68 20.682 -23.757 -1.928 1.00 0.00 N ATOM 1039 CA LEU A 68 19.438 -23.555 -2.663 1.00 0.00 C ATOM 1040 C LEU A 68 18.402 -22.850 -1.793 1.00 0.00 C ATOM 1041 O LEU A 68 17.608 -22.045 -2.284 1.00 0.00 O ATOM 1042 CB LEU A 68 18.886 -24.896 -3.149 1.00 0.00 C ATOM 1043 CG LEU A 68 19.687 -25.592 -4.250 1.00 0.00 C ATOM 1044 CD1 LEU A 68 19.247 -27.040 -4.396 1.00 0.00 C ATOM 1045 CD2 LEU A 68 19.536 -24.851 -5.570 1.00 0.00 C ATOM 0 H LEU A 68 20.916 -24.735 -1.756 1.00 0.00 H new ATOM 0 HA LEU A 68 19.652 -22.924 -3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 68 18.819 -25.570 -2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 68 17.870 -24.738 -3.511 1.00 0.00 H new ATOM 0 HG LEU A 68 20.740 -25.580 -3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 68 19.828 -27.519 -5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 68 19.409 -27.566 -3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 68 18.188 -27.074 -4.654 1.00 0.00 H new ATOM 0 HD21 LEU A 68 20.113 -25.361 -6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 68 18.485 -24.830 -5.857 1.00 0.00 H new ATOM 0 HD23 LEU A 68 19.902 -23.830 -5.458 1.00 0.00 H new ATOM 1057 N LEU A 69 18.415 -23.156 -0.501 1.00 0.00 N ATOM 1058 CA LEU A 69 17.477 -22.550 0.438 1.00 0.00 C ATOM 1059 C LEU A 69 17.497 -21.029 0.323 1.00 0.00 C ATOM 1060 O LEU A 69 16.473 -20.370 0.498 1.00 0.00 O ATOM 1061 CB LEU A 69 17.816 -22.969 1.870 1.00 0.00 C ATOM 1062 CG LEU A 69 17.944 -24.473 2.117 1.00 0.00 C ATOM 1063 CD1 LEU A 69 18.161 -24.754 3.596 1.00 0.00 C ATOM 1064 CD2 LEU A 69 16.710 -25.203 1.609 1.00 0.00 C ATOM 0 H LEU A 69 19.064 -23.820 -0.079 1.00 0.00 H new ATOM 0 HA LEU A 69 16.475 -22.901 0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 69 18.755 -22.493 2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 69 17.046 -22.576 2.534 1.00 0.00 H new ATOM 0 HG LEU A 69 18.811 -24.840 1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.250 -25.829 3.753 1.00 0.00 H new ATOM 0 HD12 LEU A 69 19.075 -24.262 3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 69 17.314 -24.373 4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 69 16.818 -26.272 1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.828 -24.833 2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 69 16.599 -25.028 0.539 1.00 0.00 H new ATOM 1076 N GLY A 70 18.670 -20.479 0.025 1.00 0.00 N ATOM 1077 CA GLY A 70 18.801 -19.040 -0.111 1.00 0.00 C ATOM 1078 C GLY A 70 18.495 -18.560 -1.515 1.00 0.00 C ATOM 1079 O GLY A 70 18.205 -17.381 -1.728 1.00 0.00 O ATOM 0 H GLY A 70 19.532 -21.004 -0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 70 18.128 -18.549 0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 70 19.815 -18.744 0.158 1.00 0.00 H new ATOM 1083 N LEU A 71 18.560 -19.472 -2.478 1.00 0.00 N ATOM 1084 CA LEU A 71 18.289 -19.136 -3.871 1.00 0.00 C ATOM 1085 C LEU A 71 16.794 -18.943 -4.104 1.00 0.00 C ATOM 1086 O LEU A 71 16.384 -18.238 -5.027 1.00 0.00 O ATOM 1087 CB LEU A 71 18.823 -20.232 -4.795 1.00 0.00 C ATOM 1088 CG LEU A 71 20.339 -20.429 -4.796 1.00 0.00 C ATOM 1089 CD1 LEU A 71 20.718 -21.653 -5.615 1.00 0.00 C ATOM 1090 CD2 LEU A 71 21.038 -19.189 -5.334 1.00 0.00 C ATOM 0 H LEU A 71 18.798 -20.451 -2.320 1.00 0.00 H new ATOM 0 HA LEU A 71 18.798 -18.199 -4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.354 -21.175 -4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.505 -20.008 -5.813 1.00 0.00 H new ATOM 0 HG LEU A 71 20.665 -20.589 -3.768 1.00 0.00 H new ATOM 0 HD11 LEU A 71 21.801 -21.777 -5.604 1.00 0.00 H new ATOM 0 HD12 LEU A 71 20.247 -22.538 -5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 71 20.378 -21.523 -6.642 1.00 0.00 H new ATOM 0 HD21 LEU A 71 22.116 -19.347 -5.327 1.00 0.00 H new ATOM 0 HD22 LEU A 71 20.706 -18.998 -6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 71 20.793 -18.332 -4.706 1.00 0.00 H new ATOM 1102 N LYS A 72 15.983 -19.571 -3.260 1.00 0.00 N ATOM 1103 CA LYS A 72 14.533 -19.466 -3.370 1.00 0.00 C ATOM 1104 C LYS A 72 14.011 -18.278 -2.568 1.00 0.00 C ATOM 1105 O LYS A 72 12.922 -17.769 -2.834 1.00 0.00 O ATOM 1106 CB LYS A 72 13.870 -20.756 -2.881 1.00 0.00 C ATOM 1107 CG LYS A 72 14.353 -22.001 -3.605 1.00 0.00 C ATOM 1108 CD LYS A 72 14.236 -23.236 -2.729 1.00 0.00 C ATOM 1109 CE LYS A 72 15.277 -24.282 -3.097 1.00 0.00 C ATOM 1110 NZ LYS A 72 14.665 -25.463 -3.767 1.00 0.00 N ATOM 0 H LYS A 72 16.306 -20.159 -2.491 1.00 0.00 H new ATOM 0 HA LYS A 72 14.283 -19.311 -4.420 1.00 0.00 H new ATOM 0 HB2 LYS A 72 14.060 -20.870 -1.814 1.00 0.00 H new ATOM 0 HB3 LYS A 72 12.791 -20.669 -3.005 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.770 -22.143 -4.515 1.00 0.00 H new ATOM 0 HG3 LYS A 72 15.391 -21.866 -3.909 1.00 0.00 H new ATOM 0 HD2 LYS A 72 14.356 -22.954 -1.683 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.238 -23.663 -2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.022 -23.836 -3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.800 -24.606 -2.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.312 -26.275 -3.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.764 -25.698 -3.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.491 -25.243 -4.768 1.00 0.00 H new