USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 541 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 37 THR OG1 : rot 70:sc= 1.2 USER MOD Set 1.2: A 40 GLN :FLIP amide:sc= -0.559 F(o=-0.37!,f=0.34) USER MOD Set 1.3: A 57 ASN : amide:sc= -0.296 K(o=0.34,f=-6.9!) USER MOD Set 2.1: A 15 CYS SG : rot 39:sc= 1.56 USER MOD Set 2.2: A 38 TYR OH : rot 23:sc= 0.517 USER MOD Set 3.1: A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 41 LYS NZ :NH3+ -136:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.24) USER MOD Single : A 23 GLN : amide:sc= -0.0254 X(o=-0.025,f=-0.21) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -73:sc= 1.15 USER MOD Single : A 32 LYS NZ :NH3+ 154:sc= 1.19 (180deg=0.295) USER MOD Single : A 33 ASN : amide:sc= -0.292 K(o=-0.29,f=-2.7!) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.0352 F(o=-1.5!,f=-0.035) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -36:sc= 0.205 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0149) USER MOD Single : A 59 SER OG : rot -36:sc= 0.832 USER MOD Single : A 62 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0382) USER MOD Single : A 63 ASN : amide:sc= 0.238 X(o=0.24,f=-0.2) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 CYS SG : rot -143:sc= 0.138 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0848 F(o=-0.87,f=-0.085) USER MOD Single : A 73 TYR OH : rot 177:sc= 1.42 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 194 N MET A 13 9.789 -1.760 -21.712 1.00 0.00 N ATOM 195 CA MET A 13 9.600 -1.632 -23.175 1.00 0.00 C ATOM 196 C MET A 13 10.618 -2.504 -23.932 1.00 0.00 C ATOM 197 O MET A 13 11.478 -3.125 -23.309 1.00 0.00 O ATOM 198 CB MET A 13 9.792 -0.154 -23.614 1.00 0.00 C ATOM 199 CG MET A 13 11.236 0.361 -23.459 1.00 0.00 C ATOM 200 SD MET A 13 11.539 1.916 -24.315 1.00 0.00 S ATOM 201 CE MET A 13 13.328 1.892 -24.375 1.00 0.00 C ATOM 0 HA MET A 13 8.589 -1.963 -23.412 1.00 0.00 H new ATOM 0 HB2 MET A 13 9.491 -0.053 -24.657 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.126 0.479 -23.027 1.00 0.00 H new ATOM 0 HG2 MET A 13 11.456 0.490 -22.399 1.00 0.00 H new ATOM 0 HG3 MET A 13 11.925 -0.394 -23.838 1.00 0.00 H new ATOM 0 HE1 MET A 13 13.687 2.790 -24.877 1.00 0.00 H new ATOM 0 HE2 MET A 13 13.726 1.860 -23.361 1.00 0.00 H new ATOM 0 HE3 MET A 13 13.662 1.011 -24.924 1.00 0.00 H new ATOM 211 N GLY A 14 10.476 -2.543 -25.270 1.00 0.00 N ATOM 212 CA GLY A 14 11.516 -3.037 -26.185 1.00 0.00 C ATOM 213 C GLY A 14 11.997 -4.469 -25.946 1.00 0.00 C ATOM 214 O GLY A 14 13.117 -4.824 -26.320 1.00 0.00 O ATOM 0 H GLY A 14 9.630 -2.230 -25.747 1.00 0.00 H new ATOM 0 HA2 GLY A 14 11.137 -2.968 -27.205 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.376 -2.371 -26.119 1.00 0.00 H new ATOM 218 N CYS A 15 11.168 -5.278 -25.302 1.00 0.00 N ATOM 219 CA CYS A 15 11.469 -6.693 -25.058 1.00 0.00 C ATOM 220 C CYS A 15 10.980 -7.538 -26.252 1.00 0.00 C ATOM 221 O CYS A 15 9.806 -7.927 -26.314 1.00 0.00 O ATOM 222 CB CYS A 15 10.824 -7.117 -23.727 1.00 0.00 C ATOM 223 SG CYS A 15 11.332 -6.085 -22.328 1.00 0.00 S ATOM 0 H CYS A 15 10.266 -4.978 -24.931 1.00 0.00 H new ATOM 0 HA CYS A 15 12.544 -6.854 -24.972 1.00 0.00 H new ATOM 0 HB2 CYS A 15 9.739 -7.075 -23.826 1.00 0.00 H new ATOM 0 HB3 CYS A 15 11.085 -8.155 -23.518 1.00 0.00 H new ATOM 0 HG CYS A 15 11.404 -4.844 -22.708 1.00 0.00 H new ATOM 229 N TRP A 16 11.878 -7.741 -27.237 1.00 0.00 N ATOM 230 CA TRP A 16 11.571 -8.459 -28.497 1.00 0.00 C ATOM 231 C TRP A 16 12.138 -9.895 -28.445 1.00 0.00 C ATOM 232 O TRP A 16 12.831 -10.275 -27.490 1.00 0.00 O ATOM 233 CB TRP A 16 12.189 -7.711 -29.728 1.00 0.00 C ATOM 234 CG TRP A 16 12.040 -6.204 -29.697 1.00 0.00 C ATOM 235 CD1 TRP A 16 10.904 -5.467 -29.894 1.00 0.00 C ATOM 236 CD2 TRP A 16 13.086 -5.249 -29.445 1.00 0.00 C ATOM 237 NE1 TRP A 16 11.180 -4.126 -29.770 1.00 0.00 N ATOM 238 CE2 TRP A 16 12.517 -3.972 -29.496 1.00 0.00 C ATOM 239 CE3 TRP A 16 14.453 -5.369 -29.182 1.00 0.00 C ATOM 240 CZ2 TRP A 16 13.268 -2.811 -29.281 1.00 0.00 C ATOM 241 CZ3 TRP A 16 15.193 -4.221 -28.969 1.00 0.00 C ATOM 242 CH2 TRP A 16 14.602 -2.960 -29.022 1.00 0.00 C ATOM 0 H TRP A 16 12.842 -7.411 -27.183 1.00 0.00 H new ATOM 0 HA TRP A 16 10.487 -8.495 -28.607 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.249 -7.956 -29.789 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.722 -8.089 -30.637 1.00 0.00 H new ATOM 0 HD1 TRP A 16 9.931 -5.879 -30.115 1.00 0.00 H new ATOM 0 HE1 TRP A 16 10.503 -3.369 -29.866 1.00 0.00 H new ATOM 0 HE3 TRP A 16 14.923 -6.341 -29.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 12.811 -1.833 -29.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 16.249 -4.303 -28.758 1.00 0.00 H new ATOM 0 HH2 TRP A 16 15.210 -2.083 -28.855 1.00 0.00 H new ATOM 253 N SER A 17 11.804 -10.699 -29.465 1.00 0.00 N ATOM 254 CA SER A 17 12.523 -11.944 -29.773 1.00 0.00 C ATOM 255 C SER A 17 13.717 -11.613 -30.688 1.00 0.00 C ATOM 256 O SER A 17 13.774 -10.519 -31.283 1.00 0.00 O ATOM 257 CB SER A 17 11.575 -12.966 -30.453 1.00 0.00 C ATOM 258 OG SER A 17 10.486 -13.304 -29.600 1.00 0.00 O ATOM 0 H SER A 17 11.029 -10.505 -30.099 1.00 0.00 H new ATOM 0 HA SER A 17 12.887 -12.396 -28.850 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.194 -12.549 -31.385 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.132 -13.867 -30.711 1.00 0.00 H new ATOM 0 HG SER A 17 9.903 -13.948 -30.053 1.00 0.00 H new ATOM 264 N ILE A 18 14.652 -12.567 -30.811 1.00 0.00 N ATOM 265 CA ILE A 18 15.858 -12.406 -31.642 1.00 0.00 C ATOM 266 C ILE A 18 15.471 -12.144 -33.115 1.00 0.00 C ATOM 267 O ILE A 18 16.066 -11.301 -33.780 1.00 0.00 O ATOM 268 CB ILE A 18 16.788 -13.676 -31.567 1.00 0.00 C ATOM 269 CG1 ILE A 18 17.196 -14.004 -30.090 1.00 0.00 C ATOM 270 CG2 ILE A 18 18.019 -13.538 -32.499 1.00 0.00 C ATOM 271 CD1 ILE A 18 17.825 -12.862 -29.318 1.00 0.00 C ATOM 0 H ILE A 18 14.595 -13.470 -30.339 1.00 0.00 H new ATOM 0 HA ILE A 18 16.408 -11.550 -31.250 1.00 0.00 H new ATOM 0 HB ILE A 18 16.212 -14.527 -31.931 1.00 0.00 H new ATOM 0 HG12 ILE A 18 16.309 -14.338 -29.552 1.00 0.00 H new ATOM 0 HG13 ILE A 18 17.895 -14.840 -30.102 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.637 -14.432 -32.420 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.684 -13.418 -33.529 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.603 -12.666 -32.204 1.00 0.00 H new ATOM 0 HD11 ILE A 18 18.069 -13.195 -28.309 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.735 -12.539 -29.823 1.00 0.00 H new ATOM 0 HD13 ILE A 18 17.124 -12.029 -29.265 1.00 0.00 H new ATOM 283 N GLU A 19 14.443 -12.869 -33.581 1.00 0.00 N ATOM 284 CA GLU A 19 13.964 -12.811 -34.971 1.00 0.00 C ATOM 285 C GLU A 19 13.466 -11.402 -35.375 1.00 0.00 C ATOM 286 O GLU A 19 13.786 -10.937 -36.470 1.00 0.00 O ATOM 287 CB GLU A 19 12.886 -13.900 -35.200 1.00 0.00 C ATOM 288 CG GLU A 19 13.453 -15.333 -35.149 1.00 0.00 C ATOM 289 CD GLU A 19 12.424 -16.436 -35.481 1.00 0.00 C ATOM 290 OE1 GLU A 19 11.734 -16.927 -34.560 1.00 0.00 O ATOM 291 OE2 GLU A 19 12.305 -16.818 -36.667 1.00 0.00 O ATOM 0 H GLU A 19 13.915 -13.519 -32.998 1.00 0.00 H new ATOM 0 HA GLU A 19 14.810 -13.016 -35.627 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.107 -13.797 -34.444 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.413 -13.737 -36.169 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.286 -15.407 -35.849 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.856 -15.516 -34.153 1.00 0.00 H new ATOM 298 N HIS A 20 12.724 -10.703 -34.487 1.00 0.00 N ATOM 299 CA HIS A 20 12.248 -9.321 -34.783 1.00 0.00 C ATOM 300 C HIS A 20 13.445 -8.375 -34.991 1.00 0.00 C ATOM 301 O HIS A 20 13.442 -7.534 -35.900 1.00 0.00 O ATOM 302 CB HIS A 20 11.328 -8.760 -33.663 1.00 0.00 C ATOM 303 CG HIS A 20 10.821 -7.361 -33.959 1.00 0.00 C ATOM 304 ND1 HIS A 20 9.913 -7.083 -34.964 1.00 0.00 N ATOM 305 CD2 HIS A 20 11.160 -6.155 -33.434 1.00 0.00 C ATOM 306 CE1 HIS A 20 9.727 -5.776 -35.047 1.00 0.00 C ATOM 307 NE2 HIS A 20 10.469 -5.190 -34.129 1.00 0.00 N ATOM 0 H HIS A 20 12.443 -11.060 -33.574 1.00 0.00 H new ATOM 0 HA HIS A 20 11.659 -9.378 -35.698 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.477 -9.428 -33.530 1.00 0.00 H new ATOM 0 HB3 HIS A 20 11.876 -8.750 -32.721 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.847 -5.985 -32.619 1.00 0.00 H new ATOM 0 HE1 HIS A 20 9.077 -5.274 -35.748 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.522 -4.185 -33.961 1.00 0.00 H new ATOM 316 N VAL A 21 14.461 -8.545 -34.140 1.00 0.00 N ATOM 317 CA VAL A 21 15.703 -7.780 -34.209 1.00 0.00 C ATOM 318 C VAL A 21 16.413 -8.045 -35.557 1.00 0.00 C ATOM 319 O VAL A 21 16.513 -7.150 -36.377 1.00 0.00 O ATOM 320 CB VAL A 21 16.624 -8.122 -32.981 1.00 0.00 C ATOM 321 CG1 VAL A 21 18.013 -7.451 -33.074 1.00 0.00 C ATOM 322 CG2 VAL A 21 15.911 -7.736 -31.664 1.00 0.00 C ATOM 0 H VAL A 21 14.441 -9.224 -33.379 1.00 0.00 H new ATOM 0 HA VAL A 21 15.476 -6.715 -34.158 1.00 0.00 H new ATOM 0 HB VAL A 21 16.800 -9.198 -32.994 1.00 0.00 H new ATOM 0 HG11 VAL A 21 18.607 -7.721 -32.201 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.521 -7.790 -33.977 1.00 0.00 H new ATOM 0 HG13 VAL A 21 17.892 -6.368 -33.110 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.555 -7.976 -30.818 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.697 -6.667 -31.666 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.978 -8.293 -31.579 1.00 0.00 H new ATOM 332 N GLU A 22 16.782 -9.313 -35.814 1.00 0.00 N ATOM 333 CA GLU A 22 17.641 -9.694 -36.958 1.00 0.00 C ATOM 334 C GLU A 22 16.978 -9.455 -38.326 1.00 0.00 C ATOM 335 O GLU A 22 17.679 -9.258 -39.324 1.00 0.00 O ATOM 336 CB GLU A 22 18.090 -11.176 -36.849 1.00 0.00 C ATOM 337 CG GLU A 22 16.957 -12.222 -36.939 1.00 0.00 C ATOM 338 CD GLU A 22 17.458 -13.672 -37.005 1.00 0.00 C ATOM 339 OE1 GLU A 22 17.820 -14.238 -35.950 1.00 0.00 O ATOM 340 OE2 GLU A 22 17.489 -14.257 -38.110 1.00 0.00 O ATOM 0 H GLU A 22 16.495 -10.104 -35.237 1.00 0.00 H new ATOM 0 HA GLU A 22 18.511 -9.040 -36.903 1.00 0.00 H new ATOM 0 HB2 GLU A 22 18.811 -11.378 -37.641 1.00 0.00 H new ATOM 0 HB3 GLU A 22 18.611 -11.311 -35.901 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.304 -12.112 -36.074 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.353 -12.015 -37.823 1.00 0.00 H new ATOM 347 N GLN A 23 15.639 -9.498 -38.377 1.00 0.00 N ATOM 348 CA GLN A 23 14.892 -9.333 -39.638 1.00 0.00 C ATOM 349 C GLN A 23 14.560 -7.854 -39.908 1.00 0.00 C ATOM 350 O GLN A 23 14.602 -7.412 -41.060 1.00 0.00 O ATOM 351 CB GLN A 23 13.592 -10.190 -39.618 1.00 0.00 C ATOM 352 CG GLN A 23 13.837 -11.708 -39.458 1.00 0.00 C ATOM 353 CD GLN A 23 14.708 -12.330 -40.555 1.00 0.00 C ATOM 354 OE1 GLN A 23 14.694 -11.893 -41.709 1.00 0.00 O ATOM 355 NE2 GLN A 23 15.489 -13.345 -40.199 1.00 0.00 N ATOM 0 H GLN A 23 15.048 -9.646 -37.559 1.00 0.00 H new ATOM 0 HA GLN A 23 15.530 -9.683 -40.450 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.957 -9.848 -38.801 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.042 -10.017 -40.543 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.309 -11.887 -38.492 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.874 -12.219 -39.443 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.478 -13.684 -39.237 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.099 -13.785 -40.888 1.00 0.00 H new ATOM 364 N TYR A 24 14.224 -7.090 -38.848 1.00 0.00 N ATOM 365 CA TYR A 24 13.752 -5.692 -38.989 1.00 0.00 C ATOM 366 C TYR A 24 14.864 -4.676 -38.656 1.00 0.00 C ATOM 367 O TYR A 24 14.615 -3.469 -38.691 1.00 0.00 O ATOM 368 CB TYR A 24 12.490 -5.455 -38.103 1.00 0.00 C ATOM 369 CG TYR A 24 11.261 -6.296 -38.500 1.00 0.00 C ATOM 370 CD1 TYR A 24 11.226 -7.671 -38.277 1.00 0.00 C ATOM 371 CD2 TYR A 24 10.143 -5.722 -39.108 1.00 0.00 C ATOM 372 CE1 TYR A 24 10.135 -8.436 -38.638 1.00 0.00 C ATOM 373 CE2 TYR A 24 9.047 -6.479 -39.473 1.00 0.00 C ATOM 374 CZ TYR A 24 9.047 -7.837 -39.238 1.00 0.00 C ATOM 375 OH TYR A 24 7.952 -8.593 -39.606 1.00 0.00 O ATOM 0 H TYR A 24 14.270 -7.416 -37.883 1.00 0.00 H new ATOM 0 HA TYR A 24 13.479 -5.535 -40.032 1.00 0.00 H new ATOM 0 HB2 TYR A 24 12.744 -5.674 -37.066 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.222 -4.399 -38.150 1.00 0.00 H new ATOM 0 HD1 TYR A 24 12.074 -8.150 -37.810 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.135 -4.659 -39.298 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.133 -9.500 -38.451 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.194 -6.009 -39.940 1.00 0.00 H new ATOM 0 HH TYR A 24 7.276 -8.013 -40.014 1.00 0.00 H new ATOM 385 N LEU A 25 16.087 -5.157 -38.341 1.00 0.00 N ATOM 386 CA LEU A 25 17.236 -4.270 -38.038 1.00 0.00 C ATOM 387 C LEU A 25 17.643 -3.445 -39.272 1.00 0.00 C ATOM 388 O LEU A 25 17.982 -4.000 -40.318 1.00 0.00 O ATOM 389 CB LEU A 25 18.463 -5.069 -37.468 1.00 0.00 C ATOM 390 CG LEU A 25 18.799 -4.792 -35.969 1.00 0.00 C ATOM 391 CD1 LEU A 25 20.066 -5.536 -35.535 1.00 0.00 C ATOM 392 CD2 LEU A 25 18.922 -3.287 -35.679 1.00 0.00 C ATOM 0 H LEU A 25 16.305 -6.152 -38.290 1.00 0.00 H new ATOM 0 HA LEU A 25 16.909 -3.580 -37.260 1.00 0.00 H new ATOM 0 HB2 LEU A 25 18.270 -6.135 -37.589 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.341 -4.833 -38.070 1.00 0.00 H new ATOM 0 HG LEU A 25 17.965 -5.173 -35.380 1.00 0.00 H new ATOM 0 HD11 LEU A 25 20.272 -5.322 -34.486 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.921 -6.608 -35.665 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.908 -5.208 -36.145 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.156 -3.138 -34.625 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.717 -2.862 -36.291 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.979 -2.793 -35.915 1.00 0.00 H new ATOM 404 N GLY A 26 17.587 -2.115 -39.128 1.00 0.00 N ATOM 405 CA GLY A 26 17.918 -1.184 -40.212 1.00 0.00 C ATOM 406 C GLY A 26 16.702 -0.393 -40.670 1.00 0.00 C ATOM 407 O GLY A 26 16.843 0.673 -41.282 1.00 0.00 O ATOM 0 H GLY A 26 17.312 -1.656 -38.260 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.693 -0.496 -39.876 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.329 -1.739 -41.055 1.00 0.00 H new ATOM 411 N THR A 27 15.505 -0.928 -40.381 1.00 0.00 N ATOM 412 CA THR A 27 14.227 -0.295 -40.751 1.00 0.00 C ATOM 413 C THR A 27 13.761 0.647 -39.617 1.00 0.00 C ATOM 414 O THR A 27 14.446 0.788 -38.596 1.00 0.00 O ATOM 415 CB THR A 27 13.126 -1.377 -41.047 1.00 0.00 C ATOM 416 OG1 THR A 27 12.660 -1.971 -39.826 1.00 0.00 O ATOM 417 CG2 THR A 27 13.645 -2.499 -41.976 1.00 0.00 C ATOM 0 H THR A 27 15.395 -1.812 -39.884 1.00 0.00 H new ATOM 0 HA THR A 27 14.381 0.286 -41.660 1.00 0.00 H new ATOM 0 HB THR A 27 12.309 -0.859 -41.550 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.348 -2.572 -39.471 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.849 -3.223 -42.152 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.960 -2.068 -42.926 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.492 -2.998 -41.506 1.00 0.00 H new ATOM 425 N ASP A 28 12.601 1.298 -39.803 1.00 0.00 N ATOM 426 CA ASP A 28 11.965 2.118 -38.747 1.00 0.00 C ATOM 427 C ASP A 28 11.204 1.217 -37.751 1.00 0.00 C ATOM 428 O ASP A 28 10.864 1.647 -36.641 1.00 0.00 O ATOM 429 CB ASP A 28 11.002 3.160 -39.375 1.00 0.00 C ATOM 430 CG ASP A 28 11.691 4.076 -40.409 1.00 0.00 C ATOM 431 OD1 ASP A 28 12.262 5.119 -40.022 1.00 0.00 O ATOM 432 OD2 ASP A 28 11.695 3.736 -41.618 1.00 0.00 O ATOM 0 H ASP A 28 12.078 1.275 -40.679 1.00 0.00 H new ATOM 0 HA ASP A 28 12.747 2.651 -38.206 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.175 2.638 -39.856 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.574 3.774 -38.583 1.00 0.00 H new ATOM 437 N GLU A 29 10.939 -0.037 -38.177 1.00 0.00 N ATOM 438 CA GLU A 29 10.269 -1.063 -37.355 1.00 0.00 C ATOM 439 C GLU A 29 11.209 -1.554 -36.232 1.00 0.00 C ATOM 440 O GLU A 29 10.750 -1.918 -35.142 1.00 0.00 O ATOM 441 CB GLU A 29 9.839 -2.259 -38.245 1.00 0.00 C ATOM 442 CG GLU A 29 8.966 -1.887 -39.465 1.00 0.00 C ATOM 443 CD GLU A 29 7.589 -1.315 -39.087 1.00 0.00 C ATOM 444 OE1 GLU A 29 6.664 -2.113 -38.812 1.00 0.00 O ATOM 445 OE2 GLU A 29 7.422 -0.073 -39.051 1.00 0.00 O ATOM 0 H GLU A 29 11.187 -0.367 -39.110 1.00 0.00 H new ATOM 0 HA GLU A 29 9.383 -0.619 -36.900 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.735 -2.768 -38.600 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.291 -2.972 -37.629 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.499 -1.156 -40.073 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.824 -2.773 -40.083 1.00 0.00 H new ATOM 452 N LEU A 30 12.526 -1.583 -36.535 1.00 0.00 N ATOM 453 CA LEU A 30 13.583 -1.861 -35.543 1.00 0.00 C ATOM 454 C LEU A 30 14.874 -1.137 -35.992 1.00 0.00 C ATOM 455 O LEU A 30 15.682 -1.716 -36.723 1.00 0.00 O ATOM 456 CB LEU A 30 13.794 -3.414 -35.360 1.00 0.00 C ATOM 457 CG LEU A 30 14.355 -3.911 -33.983 1.00 0.00 C ATOM 458 CD1 LEU A 30 15.834 -3.540 -33.755 1.00 0.00 C ATOM 459 CD2 LEU A 30 13.478 -3.389 -32.837 1.00 0.00 C ATOM 0 H LEU A 30 12.884 -1.414 -37.475 1.00 0.00 H new ATOM 0 HA LEU A 30 13.291 -1.482 -34.564 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.836 -3.906 -35.530 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.472 -3.756 -36.142 1.00 0.00 H new ATOM 0 HG LEU A 30 14.319 -5.000 -34.003 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.157 -3.914 -32.784 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.446 -3.987 -34.538 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.945 -2.456 -33.782 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.876 -3.740 -31.885 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.474 -2.299 -32.849 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.459 -3.757 -32.962 1.00 0.00 H new ATOM 471 N PRO A 31 15.049 0.173 -35.625 1.00 0.00 N ATOM 472 CA PRO A 31 16.310 0.906 -35.881 1.00 0.00 C ATOM 473 C PRO A 31 17.489 0.324 -35.083 1.00 0.00 C ATOM 474 O PRO A 31 17.307 -0.211 -33.978 1.00 0.00 O ATOM 475 CB PRO A 31 16.009 2.368 -35.431 1.00 0.00 C ATOM 476 CG PRO A 31 14.510 2.447 -35.350 1.00 0.00 C ATOM 477 CD PRO A 31 14.040 1.056 -34.984 1.00 0.00 C ATOM 0 HA PRO A 31 16.607 0.837 -36.928 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.469 2.587 -34.467 1.00 0.00 H new ATOM 0 HB3 PRO A 31 16.405 3.090 -36.145 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.197 3.175 -34.601 1.00 0.00 H new ATOM 0 HG3 PRO A 31 14.084 2.766 -36.301 1.00 0.00 H new ATOM 0 HD2 PRO A 31 14.009 0.913 -33.904 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.036 0.859 -35.360 1.00 0.00 H new ATOM 485 N LYS A 32 18.696 0.452 -35.655 1.00 0.00 N ATOM 486 CA LYS A 32 19.953 0.097 -34.982 1.00 0.00 C ATOM 487 C LYS A 32 20.133 0.938 -33.715 1.00 0.00 C ATOM 488 O LYS A 32 20.558 0.425 -32.683 1.00 0.00 O ATOM 489 CB LYS A 32 21.161 0.286 -35.943 1.00 0.00 C ATOM 490 CG LYS A 32 21.201 -0.715 -37.123 1.00 0.00 C ATOM 491 CD LYS A 32 22.545 -0.697 -37.886 1.00 0.00 C ATOM 492 CE LYS A 32 22.812 0.621 -38.620 1.00 0.00 C ATOM 493 NZ LYS A 32 24.104 0.590 -39.346 1.00 0.00 N ATOM 0 H LYS A 32 18.827 0.807 -36.602 1.00 0.00 H new ATOM 0 HA LYS A 32 19.908 -0.954 -34.696 1.00 0.00 H new ATOM 0 HB2 LYS A 32 21.137 1.300 -36.343 1.00 0.00 H new ATOM 0 HB3 LYS A 32 22.084 0.191 -35.370 1.00 0.00 H new ATOM 0 HG2 LYS A 32 21.018 -1.721 -36.745 1.00 0.00 H new ATOM 0 HG3 LYS A 32 20.393 -0.483 -37.817 1.00 0.00 H new ATOM 0 HD2 LYS A 32 23.356 -0.883 -37.182 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.556 -1.514 -38.607 1.00 0.00 H new ATOM 0 HE2 LYS A 32 22.003 0.816 -39.324 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.816 1.443 -37.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.068 1.252 -40.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 24.871 0.868 -38.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 24.281 -0.372 -39.699 1.00 0.00 H new ATOM 507 N ASN A 33 19.728 2.219 -33.801 1.00 0.00 N ATOM 508 CA ASN A 33 19.886 3.198 -32.709 1.00 0.00 C ATOM 509 C ASN A 33 19.013 2.790 -31.511 1.00 0.00 C ATOM 510 O ASN A 33 19.475 2.790 -30.370 1.00 0.00 O ATOM 511 CB ASN A 33 19.472 4.615 -33.188 1.00 0.00 C ATOM 512 CG ASN A 33 19.958 5.722 -32.251 1.00 0.00 C ATOM 513 OD1 ASN A 33 21.002 6.326 -32.487 1.00 0.00 O ATOM 514 ND2 ASN A 33 19.228 5.983 -31.171 1.00 0.00 N ATOM 0 H ASN A 33 19.281 2.605 -34.632 1.00 0.00 H new ATOM 0 HA ASN A 33 20.934 3.216 -32.409 1.00 0.00 H new ATOM 0 HB2 ASN A 33 19.874 4.788 -34.186 1.00 0.00 H new ATOM 0 HB3 ASN A 33 18.386 4.664 -33.268 1.00 0.00 H new ATOM 0 HD21 ASN A 33 19.530 6.701 -30.512 1.00 0.00 H new ATOM 0 HD22 ASN A 33 18.366 5.465 -31.001 1.00 0.00 H new ATOM 521 N ASP A 34 17.751 2.436 -31.816 1.00 0.00 N ATOM 522 CA ASP A 34 16.728 2.042 -30.820 1.00 0.00 C ATOM 523 C ASP A 34 17.164 0.785 -30.044 1.00 0.00 C ATOM 524 O ASP A 34 16.972 0.694 -28.828 1.00 0.00 O ATOM 525 CB ASP A 34 15.384 1.797 -31.553 1.00 0.00 C ATOM 526 CG ASP A 34 14.231 1.370 -30.623 1.00 0.00 C ATOM 527 OD1 ASP A 34 13.647 2.245 -29.945 1.00 0.00 O ATOM 528 OD2 ASP A 34 13.896 0.168 -30.580 1.00 0.00 O ATOM 0 H ASP A 34 17.404 2.414 -32.775 1.00 0.00 H new ATOM 0 HA ASP A 34 16.607 2.845 -30.093 1.00 0.00 H new ATOM 0 HB2 ASP A 34 15.096 2.709 -32.077 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.530 1.027 -32.311 1.00 0.00 H new ATOM 533 N LEU A 35 17.762 -0.164 -30.769 1.00 0.00 N ATOM 534 CA LEU A 35 18.307 -1.401 -30.187 1.00 0.00 C ATOM 535 C LEU A 35 19.448 -1.088 -29.186 1.00 0.00 C ATOM 536 O LEU A 35 19.417 -1.527 -28.032 1.00 0.00 O ATOM 537 CB LEU A 35 18.811 -2.307 -31.329 1.00 0.00 C ATOM 538 CG LEU A 35 19.459 -3.660 -30.911 1.00 0.00 C ATOM 539 CD1 LEU A 35 18.506 -4.522 -30.070 1.00 0.00 C ATOM 540 CD2 LEU A 35 19.942 -4.414 -32.139 1.00 0.00 C ATOM 0 H LEU A 35 17.884 -0.099 -31.780 1.00 0.00 H new ATOM 0 HA LEU A 35 17.523 -1.916 -29.632 1.00 0.00 H new ATOM 0 HB2 LEU A 35 17.971 -2.521 -31.990 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.541 -1.746 -31.913 1.00 0.00 H new ATOM 0 HG LEU A 35 20.318 -3.435 -30.279 1.00 0.00 H new ATOM 0 HD11 LEU A 35 19.001 -5.455 -29.802 1.00 0.00 H new ATOM 0 HD12 LEU A 35 18.232 -3.983 -29.163 1.00 0.00 H new ATOM 0 HD13 LEU A 35 17.608 -4.740 -30.647 1.00 0.00 H new ATOM 0 HD21 LEU A 35 20.393 -5.358 -31.832 1.00 0.00 H new ATOM 0 HD22 LEU A 35 19.098 -4.613 -32.799 1.00 0.00 H new ATOM 0 HD23 LEU A 35 20.682 -3.813 -32.667 1.00 0.00 H new ATOM 552 N ILE A 36 20.437 -0.310 -29.659 1.00 0.00 N ATOM 553 CA ILE A 36 21.585 0.172 -28.843 1.00 0.00 C ATOM 554 C ILE A 36 21.101 0.922 -27.581 1.00 0.00 C ATOM 555 O ILE A 36 21.680 0.765 -26.498 1.00 0.00 O ATOM 556 CB ILE A 36 22.517 1.112 -29.708 1.00 0.00 C ATOM 557 CG1 ILE A 36 23.101 0.329 -30.928 1.00 0.00 C ATOM 558 CG2 ILE A 36 23.665 1.746 -28.869 1.00 0.00 C ATOM 559 CD1 ILE A 36 23.792 1.198 -31.974 1.00 0.00 C ATOM 0 H ILE A 36 20.470 0.010 -30.627 1.00 0.00 H new ATOM 0 HA ILE A 36 22.156 -0.699 -28.522 1.00 0.00 H new ATOM 0 HB ILE A 36 21.896 1.931 -30.071 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.814 -0.409 -30.561 1.00 0.00 H new ATOM 0 HG13 ILE A 36 22.293 -0.221 -31.410 1.00 0.00 H new ATOM 0 HG21 ILE A 36 24.275 2.382 -29.510 1.00 0.00 H new ATOM 0 HG22 ILE A 36 23.239 2.344 -28.063 1.00 0.00 H new ATOM 0 HG23 ILE A 36 24.285 0.956 -28.445 1.00 0.00 H new ATOM 0 HD11 ILE A 36 24.165 0.568 -32.782 1.00 0.00 H new ATOM 0 HD12 ILE A 36 23.080 1.919 -32.375 1.00 0.00 H new ATOM 0 HD13 ILE A 36 24.625 1.728 -31.513 1.00 0.00 H new ATOM 571 N THR A 37 20.008 1.698 -27.738 1.00 0.00 N ATOM 572 CA THR A 37 19.409 2.484 -26.651 1.00 0.00 C ATOM 573 C THR A 37 18.816 1.545 -25.573 1.00 0.00 C ATOM 574 O THR A 37 19.109 1.706 -24.388 1.00 0.00 O ATOM 575 CB THR A 37 18.322 3.472 -27.188 1.00 0.00 C ATOM 576 OG1 THR A 37 18.910 4.355 -28.161 1.00 0.00 O ATOM 577 CG2 THR A 37 17.688 4.309 -26.063 1.00 0.00 C ATOM 0 H THR A 37 19.518 1.794 -28.628 1.00 0.00 H new ATOM 0 HA THR A 37 20.197 3.084 -26.196 1.00 0.00 H new ATOM 0 HB THR A 37 17.533 2.872 -27.643 1.00 0.00 H new ATOM 0 HG1 THR A 37 19.118 3.852 -28.976 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.940 4.979 -26.486 1.00 0.00 H new ATOM 0 HG22 THR A 37 17.214 3.646 -25.339 1.00 0.00 H new ATOM 0 HG23 THR A 37 18.461 4.895 -25.566 1.00 0.00 H new ATOM 585 N TYR A 38 18.037 0.530 -26.003 1.00 0.00 N ATOM 586 CA TYR A 38 17.451 -0.483 -25.090 1.00 0.00 C ATOM 587 C TYR A 38 18.563 -1.186 -24.287 1.00 0.00 C ATOM 588 O TYR A 38 18.424 -1.410 -23.079 1.00 0.00 O ATOM 589 CB TYR A 38 16.623 -1.533 -25.885 1.00 0.00 C ATOM 590 CG TYR A 38 16.097 -2.714 -25.036 1.00 0.00 C ATOM 591 CD1 TYR A 38 14.869 -2.655 -24.376 1.00 0.00 C ATOM 592 CD2 TYR A 38 16.831 -3.899 -24.902 1.00 0.00 C ATOM 593 CE1 TYR A 38 14.414 -3.724 -23.619 1.00 0.00 C ATOM 594 CE2 TYR A 38 16.369 -4.963 -24.153 1.00 0.00 C ATOM 595 CZ TYR A 38 15.163 -4.869 -23.514 1.00 0.00 C ATOM 596 OH TYR A 38 14.700 -5.926 -22.762 1.00 0.00 O ATOM 0 H TYR A 38 17.796 0.387 -26.984 1.00 0.00 H new ATOM 0 HA TYR A 38 16.783 0.030 -24.398 1.00 0.00 H new ATOM 0 HB2 TYR A 38 15.775 -1.031 -26.350 1.00 0.00 H new ATOM 0 HB3 TYR A 38 17.241 -1.929 -26.691 1.00 0.00 H new ATOM 0 HD1 TYR A 38 14.264 -1.764 -24.456 1.00 0.00 H new ATOM 0 HD2 TYR A 38 17.786 -3.983 -25.399 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.464 -3.655 -23.109 1.00 0.00 H new ATOM 0 HE2 TYR A 38 16.957 -5.865 -24.072 1.00 0.00 H new ATOM 0 HH TYR A 38 13.725 -5.870 -22.684 1.00 0.00 H new ATOM 606 N LEU A 39 19.660 -1.522 -24.986 1.00 0.00 N ATOM 607 CA LEU A 39 20.817 -2.223 -24.395 1.00 0.00 C ATOM 608 C LEU A 39 21.474 -1.375 -23.296 1.00 0.00 C ATOM 609 O LEU A 39 21.704 -1.871 -22.211 1.00 0.00 O ATOM 610 CB LEU A 39 21.851 -2.640 -25.496 1.00 0.00 C ATOM 611 CG LEU A 39 21.651 -4.068 -26.125 1.00 0.00 C ATOM 612 CD1 LEU A 39 20.196 -4.323 -26.551 1.00 0.00 C ATOM 613 CD2 LEU A 39 22.610 -4.297 -27.308 1.00 0.00 C ATOM 0 H LEU A 39 19.772 -1.316 -25.979 1.00 0.00 H new ATOM 0 HA LEU A 39 20.451 -3.138 -23.929 1.00 0.00 H new ATOM 0 HB2 LEU A 39 21.814 -1.903 -26.298 1.00 0.00 H new ATOM 0 HB3 LEU A 39 22.851 -2.592 -25.064 1.00 0.00 H new ATOM 0 HG LEU A 39 21.889 -4.788 -25.342 1.00 0.00 H new ATOM 0 HD11 LEU A 39 20.112 -5.322 -26.979 1.00 0.00 H new ATOM 0 HD12 LEU A 39 19.543 -4.244 -25.682 1.00 0.00 H new ATOM 0 HD13 LEU A 39 19.900 -3.584 -27.295 1.00 0.00 H new ATOM 0 HD21 LEU A 39 22.447 -5.293 -27.721 1.00 0.00 H new ATOM 0 HD22 LEU A 39 22.422 -3.549 -28.079 1.00 0.00 H new ATOM 0 HD23 LEU A 39 23.640 -4.211 -26.963 1.00 0.00 H new ATOM 625 N GLN A 40 21.732 -0.086 -23.564 1.00 0.00 N ATOM 626 CA GLN A 40 22.384 0.811 -22.574 1.00 0.00 C ATOM 627 C GLN A 40 21.433 1.218 -21.434 1.00 0.00 C ATOM 628 O GLN A 40 21.890 1.662 -20.376 1.00 0.00 O ATOM 629 CB GLN A 40 23.024 2.040 -23.283 1.00 0.00 C ATOM 630 CG GLN A 40 22.048 2.933 -24.060 1.00 0.00 C ATOM 631 CD GLN A 40 22.702 3.787 -25.158 1.00 0.00 C ATOM 632 OE1 GLN A 40 23.717 3.241 -25.830 1.00 0.00 O flip ATOM 633 NE2 GLN A 40 22.255 4.899 -25.442 1.00 0.00 N flip ATOM 0 H GLN A 40 21.504 0.365 -24.450 1.00 0.00 H new ATOM 0 HA GLN A 40 23.188 0.249 -22.099 1.00 0.00 H new ATOM 0 HB2 GLN A 40 23.529 2.649 -22.533 1.00 0.00 H new ATOM 0 HB3 GLN A 40 23.790 1.683 -23.971 1.00 0.00 H new ATOM 0 HG2 GLN A 40 21.283 2.304 -24.514 1.00 0.00 H new ATOM 0 HG3 GLN A 40 21.541 3.594 -23.357 1.00 0.00 H new ATOM 0 HE21 GLN A 40 21.478 5.288 -24.908 1.00 0.00 H new ATOM 0 HE22 GLN A 40 22.662 5.431 -26.211 1.00 0.00 H new ATOM 642 N LYS A 41 20.115 1.064 -21.651 1.00 0.00 N ATOM 643 CA LYS A 41 19.105 1.329 -20.606 1.00 0.00 C ATOM 644 C LYS A 41 18.900 0.115 -19.673 1.00 0.00 C ATOM 645 O LYS A 41 18.743 0.292 -18.460 1.00 0.00 O ATOM 646 CB LYS A 41 17.757 1.752 -21.241 1.00 0.00 C ATOM 647 CG LYS A 41 17.808 3.120 -21.963 1.00 0.00 C ATOM 648 CD LYS A 41 16.449 3.551 -22.555 1.00 0.00 C ATOM 649 CE LYS A 41 15.363 3.753 -21.480 1.00 0.00 C ATOM 650 NZ LYS A 41 14.128 4.347 -22.038 1.00 0.00 N ATOM 0 H LYS A 41 19.722 0.757 -22.541 1.00 0.00 H new ATOM 0 HA LYS A 41 19.484 2.150 -19.997 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.446 0.987 -21.953 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.996 1.791 -20.462 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.148 3.881 -21.260 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.546 3.073 -22.764 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.579 4.479 -23.112 1.00 0.00 H new ATOM 0 HD3 LYS A 41 16.113 2.797 -23.267 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.127 2.794 -21.020 1.00 0.00 H new ATOM 0 HE3 LYS A 41 15.750 4.398 -20.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.784 5.094 -21.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.331 4.755 -22.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.400 3.610 -22.132 1.00 0.00 H new ATOM 664 N ASN A 42 18.883 -1.113 -20.237 1.00 0.00 N ATOM 665 CA ASN A 42 18.537 -2.343 -19.467 1.00 0.00 C ATOM 666 C ASN A 42 19.792 -3.082 -18.957 1.00 0.00 C ATOM 667 O ASN A 42 19.691 -3.905 -18.038 1.00 0.00 O ATOM 668 CB ASN A 42 17.640 -3.295 -20.315 1.00 0.00 C ATOM 669 CG ASN A 42 16.242 -2.726 -20.621 1.00 0.00 C ATOM 670 OD1 ASN A 42 16.166 -1.505 -21.140 1.00 0.00 O flip ATOM 671 ND2 ASN A 42 15.232 -3.410 -20.441 1.00 0.00 N flip ATOM 0 H ASN A 42 19.103 -1.285 -21.218 1.00 0.00 H new ATOM 0 HA ASN A 42 17.973 -2.025 -18.591 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.146 -3.514 -21.255 1.00 0.00 H new ATOM 0 HB3 ASN A 42 17.529 -4.241 -19.785 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.314 -4.345 -20.041 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.315 -3.041 -20.692 1.00 0.00 H new ATOM 678 N ALA A 43 20.957 -2.819 -19.580 1.00 0.00 N ATOM 679 CA ALA A 43 22.265 -3.363 -19.117 1.00 0.00 C ATOM 680 C ALA A 43 22.960 -2.436 -18.115 1.00 0.00 C ATOM 681 O ALA A 43 22.545 -1.292 -17.889 1.00 0.00 O ATOM 682 CB ALA A 43 23.226 -3.602 -20.299 1.00 0.00 C ATOM 0 H ALA A 43 21.027 -2.231 -20.410 1.00 0.00 H new ATOM 0 HA ALA A 43 22.034 -4.308 -18.626 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.170 -3.999 -19.926 1.00 0.00 H new ATOM 0 HB2 ALA A 43 22.781 -4.316 -20.991 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.408 -2.660 -20.817 1.00 0.00 H new ATOM 688 N ASP A 44 24.033 -2.978 -17.526 1.00 0.00 N ATOM 689 CA ASP A 44 25.052 -2.212 -16.798 1.00 0.00 C ATOM 690 C ASP A 44 26.106 -1.719 -17.798 1.00 0.00 C ATOM 691 O ASP A 44 26.273 -2.316 -18.872 1.00 0.00 O ATOM 692 CB ASP A 44 25.704 -3.090 -15.702 1.00 0.00 C ATOM 693 CG ASP A 44 24.677 -3.653 -14.703 1.00 0.00 C ATOM 694 OD1 ASP A 44 24.090 -4.722 -14.981 1.00 0.00 O ATOM 695 OD2 ASP A 44 24.418 -3.009 -13.663 1.00 0.00 O ATOM 0 H ASP A 44 24.221 -3.980 -17.542 1.00 0.00 H new ATOM 0 HA ASP A 44 24.590 -1.355 -16.307 1.00 0.00 H new ATOM 0 HB2 ASP A 44 26.237 -3.916 -16.173 1.00 0.00 H new ATOM 0 HB3 ASP A 44 26.444 -2.500 -15.162 1.00 0.00 H new ATOM 700 N ALA A 45 26.837 -0.663 -17.414 1.00 0.00 N ATOM 701 CA ALA A 45 27.744 0.080 -18.323 1.00 0.00 C ATOM 702 C ALA A 45 28.830 -0.825 -18.953 1.00 0.00 C ATOM 703 O ALA A 45 29.265 -0.577 -20.085 1.00 0.00 O ATOM 704 CB ALA A 45 28.375 1.265 -17.578 1.00 0.00 C ATOM 0 H ALA A 45 26.821 -0.293 -16.464 1.00 0.00 H new ATOM 0 HA ALA A 45 27.143 0.456 -19.151 1.00 0.00 H new ATOM 0 HB1 ALA A 45 29.040 1.806 -18.252 1.00 0.00 H new ATOM 0 HB2 ALA A 45 27.589 1.935 -17.228 1.00 0.00 H new ATOM 0 HB3 ALA A 45 28.944 0.897 -16.725 1.00 0.00 H new ATOM 710 N ALA A 46 29.209 -1.893 -18.218 1.00 0.00 N ATOM 711 CA ALA A 46 30.228 -2.883 -18.643 1.00 0.00 C ATOM 712 C ALA A 46 29.906 -3.498 -20.021 1.00 0.00 C ATOM 713 O ALA A 46 30.800 -3.674 -20.865 1.00 0.00 O ATOM 714 CB ALA A 46 30.334 -3.999 -17.597 1.00 0.00 C ATOM 0 H ALA A 46 28.812 -2.096 -17.301 1.00 0.00 H new ATOM 0 HA ALA A 46 31.178 -2.356 -18.730 1.00 0.00 H new ATOM 0 HB1 ALA A 46 31.084 -4.724 -17.913 1.00 0.00 H new ATOM 0 HB2 ALA A 46 30.625 -3.572 -16.637 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.369 -4.496 -17.496 1.00 0.00 H new ATOM 720 N PHE A 47 28.611 -3.794 -20.234 1.00 0.00 N ATOM 721 CA PHE A 47 28.119 -4.451 -21.461 1.00 0.00 C ATOM 722 C PHE A 47 28.368 -3.558 -22.689 1.00 0.00 C ATOM 723 O PHE A 47 28.761 -4.030 -23.764 1.00 0.00 O ATOM 724 CB PHE A 47 26.608 -4.761 -21.310 1.00 0.00 C ATOM 725 CG PHE A 47 26.028 -5.642 -22.415 1.00 0.00 C ATOM 726 CD1 PHE A 47 26.148 -7.025 -22.344 1.00 0.00 C ATOM 727 CD2 PHE A 47 25.376 -5.097 -23.526 1.00 0.00 C ATOM 728 CE1 PHE A 47 25.635 -7.834 -23.342 1.00 0.00 C ATOM 729 CE2 PHE A 47 24.865 -5.906 -24.522 1.00 0.00 C ATOM 730 CZ PHE A 47 24.999 -7.274 -24.428 1.00 0.00 C ATOM 0 H PHE A 47 27.875 -3.585 -19.560 1.00 0.00 H new ATOM 0 HA PHE A 47 28.662 -5.385 -21.609 1.00 0.00 H new ATOM 0 HB2 PHE A 47 26.445 -5.250 -20.350 1.00 0.00 H new ATOM 0 HB3 PHE A 47 26.058 -3.820 -21.286 1.00 0.00 H new ATOM 0 HD1 PHE A 47 26.648 -7.474 -21.499 1.00 0.00 H new ATOM 0 HD2 PHE A 47 25.270 -4.025 -23.606 1.00 0.00 H new ATOM 0 HE1 PHE A 47 25.733 -8.907 -23.270 1.00 0.00 H new ATOM 0 HE2 PHE A 47 24.362 -5.468 -25.371 1.00 0.00 H new ATOM 0 HZ PHE A 47 24.604 -7.909 -25.208 1.00 0.00 H new ATOM 740 N LEU A 48 28.156 -2.255 -22.491 1.00 0.00 N ATOM 741 CA LEU A 48 28.280 -1.245 -23.548 1.00 0.00 C ATOM 742 C LEU A 48 29.757 -0.900 -23.781 1.00 0.00 C ATOM 743 O LEU A 48 30.144 -0.499 -24.870 1.00 0.00 O ATOM 744 CB LEU A 48 27.459 0.024 -23.193 1.00 0.00 C ATOM 745 CG LEU A 48 25.936 -0.179 -22.874 1.00 0.00 C ATOM 746 CD1 LEU A 48 25.267 -1.204 -23.814 1.00 0.00 C ATOM 747 CD2 LEU A 48 25.691 -0.537 -21.395 1.00 0.00 C ATOM 0 H LEU A 48 27.891 -1.867 -21.586 1.00 0.00 H new ATOM 0 HA LEU A 48 27.875 -1.655 -24.473 1.00 0.00 H new ATOM 0 HB2 LEU A 48 27.926 0.499 -22.330 1.00 0.00 H new ATOM 0 HB3 LEU A 48 27.541 0.724 -24.025 1.00 0.00 H new ATOM 0 HG LEU A 48 25.461 0.785 -23.059 1.00 0.00 H new ATOM 0 HD11 LEU A 48 24.214 -1.307 -23.550 1.00 0.00 H new ATOM 0 HD12 LEU A 48 25.351 -0.861 -24.845 1.00 0.00 H new ATOM 0 HD13 LEU A 48 25.763 -2.169 -23.711 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.622 -0.667 -21.224 1.00 0.00 H new ATOM 0 HD22 LEU A 48 26.213 -1.463 -21.154 1.00 0.00 H new ATOM 0 HD23 LEU A 48 26.065 0.266 -20.760 1.00 0.00 H new ATOM 759 N ARG A 49 30.572 -1.050 -22.737 1.00 0.00 N ATOM 760 CA ARG A 49 32.033 -0.888 -22.830 1.00 0.00 C ATOM 761 C ARG A 49 32.680 -2.125 -23.497 1.00 0.00 C ATOM 762 O ARG A 49 33.826 -2.057 -23.952 1.00 0.00 O ATOM 763 CB ARG A 49 32.605 -0.631 -21.416 1.00 0.00 C ATOM 764 CG ARG A 49 32.150 0.711 -20.789 1.00 0.00 C ATOM 765 CD ARG A 49 32.400 0.794 -19.271 1.00 0.00 C ATOM 766 NE ARG A 49 33.814 0.602 -18.914 1.00 0.00 N ATOM 767 CZ ARG A 49 34.369 0.922 -17.733 1.00 0.00 C ATOM 768 NH1 ARG A 49 33.665 1.536 -16.780 1.00 0.00 N ATOM 769 NH2 ARG A 49 35.638 0.621 -17.516 1.00 0.00 N ATOM 0 H ARG A 49 30.244 -1.287 -21.801 1.00 0.00 H new ATOM 0 HA ARG A 49 32.268 -0.030 -23.460 1.00 0.00 H new ATOM 0 HB2 ARG A 49 32.305 -1.448 -20.759 1.00 0.00 H new ATOM 0 HB3 ARG A 49 33.694 -0.646 -21.467 1.00 0.00 H new ATOM 0 HG2 ARG A 49 32.675 1.530 -21.281 1.00 0.00 H new ATOM 0 HG3 ARG A 49 31.087 0.852 -20.983 1.00 0.00 H new ATOM 0 HD2 ARG A 49 32.066 1.765 -18.905 1.00 0.00 H new ATOM 0 HD3 ARG A 49 31.797 0.039 -18.766 1.00 0.00 H new ATOM 0 HE ARG A 49 34.424 0.192 -19.622 1.00 0.00 H new ATOM 0 HH11 ARG A 49 32.686 1.771 -16.941 1.00 0.00 H new ATOM 0 HH12 ARG A 49 34.106 1.770 -15.891 1.00 0.00 H new ATOM 0 HH21 ARG A 49 36.182 0.152 -18.240 1.00 0.00 H new ATOM 0 HH22 ARG A 49 36.073 0.858 -16.624 1.00 0.00 H new ATOM 783 N HIS A 50 31.944 -3.263 -23.534 1.00 0.00 N ATOM 784 CA HIS A 50 32.364 -4.458 -24.295 1.00 0.00 C ATOM 785 C HIS A 50 32.061 -4.262 -25.794 1.00 0.00 C ATOM 786 O HIS A 50 32.972 -4.261 -26.629 1.00 0.00 O ATOM 787 CB HIS A 50 31.671 -5.746 -23.764 1.00 0.00 C ATOM 788 CG HIS A 50 32.155 -7.019 -24.429 1.00 0.00 C ATOM 789 ND1 HIS A 50 33.247 -7.730 -23.980 1.00 0.00 N ATOM 790 CD2 HIS A 50 31.691 -7.704 -25.508 1.00 0.00 C ATOM 791 CE1 HIS A 50 33.442 -8.779 -24.750 1.00 0.00 C ATOM 792 NE2 HIS A 50 32.510 -8.795 -25.682 1.00 0.00 N ATOM 0 H HIS A 50 31.056 -3.375 -23.044 1.00 0.00 H new ATOM 0 HA HIS A 50 33.438 -4.583 -24.160 1.00 0.00 H new ATOM 0 HB2 HIS A 50 31.839 -5.822 -22.690 1.00 0.00 H new ATOM 0 HB3 HIS A 50 30.595 -5.656 -23.912 1.00 0.00 H new ATOM 0 HD2 HIS A 50 30.838 -7.440 -26.115 1.00 0.00 H new ATOM 0 HE1 HIS A 50 34.233 -9.505 -24.637 1.00 0.00 H new ATOM 0 HE2 HIS A 50 32.412 -9.501 -26.412 1.00 0.00 H new ATOM 801 N TRP A 51 30.765 -4.067 -26.120 1.00 0.00 N ATOM 802 CA TRP A 51 30.281 -3.953 -27.518 1.00 0.00 C ATOM 803 C TRP A 51 30.458 -2.525 -28.090 1.00 0.00 C ATOM 804 O TRP A 51 29.916 -2.231 -29.155 1.00 0.00 O ATOM 805 CB TRP A 51 28.788 -4.370 -27.606 1.00 0.00 C ATOM 806 CG TRP A 51 28.511 -5.813 -27.266 1.00 0.00 C ATOM 807 CD1 TRP A 51 28.080 -6.311 -26.072 1.00 0.00 C ATOM 808 CD2 TRP A 51 28.637 -6.939 -28.148 1.00 0.00 C ATOM 809 NE1 TRP A 51 27.909 -7.663 -26.159 1.00 0.00 N ATOM 810 CE2 TRP A 51 28.254 -8.078 -27.420 1.00 0.00 C ATOM 811 CE3 TRP A 51 29.028 -7.085 -29.486 1.00 0.00 C ATOM 812 CZ2 TRP A 51 28.259 -9.352 -27.980 1.00 0.00 C ATOM 813 CZ3 TRP A 51 29.033 -8.349 -30.041 1.00 0.00 C ATOM 814 CH2 TRP A 51 28.650 -9.471 -29.291 1.00 0.00 C ATOM 0 H TRP A 51 30.024 -3.984 -25.424 1.00 0.00 H new ATOM 0 HA TRP A 51 30.890 -4.627 -28.121 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.209 -3.736 -26.935 1.00 0.00 H new ATOM 0 HB3 TRP A 51 28.430 -4.175 -28.617 1.00 0.00 H new ATOM 0 HD1 TRP A 51 27.900 -5.721 -25.185 1.00 0.00 H new ATOM 0 HE1 TRP A 51 27.578 -8.267 -25.407 1.00 0.00 H new ATOM 0 HE3 TRP A 51 29.320 -6.226 -30.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 27.966 -10.217 -27.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 29.337 -8.476 -31.070 1.00 0.00 H new ATOM 0 HH2 TRP A 51 28.663 -10.447 -29.753 1.00 0.00 H new ATOM 825 N LYS A 52 31.180 -1.644 -27.361 1.00 0.00 N ATOM 826 CA LYS A 52 31.537 -0.263 -27.817 1.00 0.00 C ATOM 827 C LYS A 52 30.276 0.634 -27.975 1.00 0.00 C ATOM 828 O LYS A 52 30.305 1.660 -28.666 1.00 0.00 O ATOM 829 CB LYS A 52 32.374 -0.277 -29.145 1.00 0.00 C ATOM 830 CG LYS A 52 33.653 -1.166 -29.157 1.00 0.00 C ATOM 831 CD LYS A 52 34.856 -0.635 -28.318 1.00 0.00 C ATOM 832 CE LYS A 52 34.778 -0.966 -26.812 1.00 0.00 C ATOM 833 NZ LYS A 52 36.036 -0.636 -26.098 1.00 0.00 N ATOM 0 H LYS A 52 31.538 -1.864 -26.432 1.00 0.00 H new ATOM 0 HA LYS A 52 32.164 0.168 -27.036 1.00 0.00 H new ATOM 0 HB2 LYS A 52 31.723 -0.607 -29.954 1.00 0.00 H new ATOM 0 HB3 LYS A 52 32.670 0.747 -29.372 1.00 0.00 H new ATOM 0 HG2 LYS A 52 33.387 -2.157 -28.789 1.00 0.00 H new ATOM 0 HG3 LYS A 52 33.980 -1.286 -30.190 1.00 0.00 H new ATOM 0 HD2 LYS A 52 35.778 -1.053 -28.722 1.00 0.00 H new ATOM 0 HD3 LYS A 52 34.917 0.447 -28.437 1.00 0.00 H new ATOM 0 HE2 LYS A 52 33.952 -0.414 -26.363 1.00 0.00 H new ATOM 0 HE3 LYS A 52 34.558 -2.026 -26.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 35.937 -0.875 -25.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 36.821 -1.182 -26.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 36.234 0.380 -26.195 1.00 0.00 H new ATOM 847 N LEU A 53 29.182 0.244 -27.286 1.00 0.00 N ATOM 848 CA LEU A 53 27.895 0.969 -27.305 1.00 0.00 C ATOM 849 C LEU A 53 27.874 2.104 -26.246 1.00 0.00 C ATOM 850 O LEU A 53 26.832 2.737 -26.028 1.00 0.00 O ATOM 851 CB LEU A 53 26.729 -0.019 -27.030 1.00 0.00 C ATOM 852 CG LEU A 53 26.725 -1.349 -27.841 1.00 0.00 C ATOM 853 CD1 LEU A 53 25.594 -2.270 -27.371 1.00 0.00 C ATOM 854 CD2 LEU A 53 26.648 -1.112 -29.360 1.00 0.00 C ATOM 0 H LEU A 53 29.168 -0.589 -26.697 1.00 0.00 H new ATOM 0 HA LEU A 53 27.774 1.417 -28.291 1.00 0.00 H new ATOM 0 HB2 LEU A 53 26.739 -0.269 -25.969 1.00 0.00 H new ATOM 0 HB3 LEU A 53 25.791 0.500 -27.226 1.00 0.00 H new ATOM 0 HG LEU A 53 27.678 -1.842 -27.648 1.00 0.00 H new ATOM 0 HD11 LEU A 53 25.611 -3.192 -27.952 1.00 0.00 H new ATOM 0 HD12 LEU A 53 25.730 -2.503 -26.315 1.00 0.00 H new ATOM 0 HD13 LEU A 53 24.636 -1.770 -27.512 1.00 0.00 H new ATOM 0 HD21 LEU A 53 26.648 -2.071 -29.878 1.00 0.00 H new ATOM 0 HD22 LEU A 53 25.732 -0.571 -29.598 1.00 0.00 H new ATOM 0 HD23 LEU A 53 27.509 -0.526 -29.681 1.00 0.00 H new ATOM 866 N THR A 54 29.027 2.339 -25.580 1.00 0.00 N ATOM 867 CA THR A 54 29.157 3.365 -24.527 1.00 0.00 C ATOM 868 C THR A 54 29.471 4.773 -25.108 1.00 0.00 C ATOM 869 O THR A 54 29.492 5.766 -24.363 1.00 0.00 O ATOM 870 CB THR A 54 30.243 2.940 -23.475 1.00 0.00 C ATOM 871 OG1 THR A 54 30.228 3.834 -22.348 1.00 0.00 O ATOM 872 CG2 THR A 54 31.659 2.884 -24.082 1.00 0.00 C ATOM 0 H THR A 54 29.889 1.824 -25.758 1.00 0.00 H new ATOM 0 HA THR A 54 28.191 3.437 -24.027 1.00 0.00 H new ATOM 0 HB THR A 54 29.988 1.933 -23.145 1.00 0.00 H new ATOM 0 HG1 THR A 54 30.034 4.744 -22.655 1.00 0.00 H new ATOM 0 HG21 THR A 54 32.373 2.585 -23.314 1.00 0.00 H new ATOM 0 HG22 THR A 54 31.678 2.159 -24.896 1.00 0.00 H new ATOM 0 HG23 THR A 54 31.929 3.868 -24.466 1.00 0.00 H new ATOM 880 N GLY A 55 29.713 4.846 -26.438 1.00 0.00 N ATOM 881 CA GLY A 55 29.941 6.127 -27.134 1.00 0.00 C ATOM 882 C GLY A 55 28.634 6.868 -27.436 1.00 0.00 C ATOM 883 O GLY A 55 27.640 6.703 -26.716 1.00 0.00 O ATOM 0 H GLY A 55 29.755 4.030 -27.048 1.00 0.00 H new ATOM 0 HA2 GLY A 55 30.582 6.761 -26.522 1.00 0.00 H new ATOM 0 HA3 GLY A 55 30.474 5.941 -28.066 1.00 0.00 H new ATOM 887 N THR A 56 28.620 7.693 -28.503 1.00 0.00 N ATOM 888 CA THR A 56 27.393 8.364 -28.971 1.00 0.00 C ATOM 889 C THR A 56 26.697 7.462 -30.016 1.00 0.00 C ATOM 890 O THR A 56 27.336 7.019 -30.976 1.00 0.00 O ATOM 891 CB THR A 56 27.673 9.807 -29.536 1.00 0.00 C ATOM 892 OG1 THR A 56 26.443 10.454 -29.885 1.00 0.00 O ATOM 893 CG2 THR A 56 28.614 9.828 -30.756 1.00 0.00 C ATOM 0 H THR A 56 29.448 7.910 -29.057 1.00 0.00 H new ATOM 0 HA THR A 56 26.729 8.509 -28.119 1.00 0.00 H new ATOM 0 HB THR A 56 28.178 10.343 -28.733 1.00 0.00 H new ATOM 0 HG1 THR A 56 26.632 11.350 -30.233 1.00 0.00 H new ATOM 0 HG21 THR A 56 28.758 10.857 -31.087 1.00 0.00 H new ATOM 0 HG22 THR A 56 29.577 9.397 -30.480 1.00 0.00 H new ATOM 0 HG23 THR A 56 28.174 9.245 -31.565 1.00 0.00 H new ATOM 901 N ASN A 57 25.393 7.176 -29.799 1.00 0.00 N ATOM 902 CA ASN A 57 24.615 6.168 -30.582 1.00 0.00 C ATOM 903 C ASN A 57 24.669 6.402 -32.098 1.00 0.00 C ATOM 904 O ASN A 57 24.573 5.444 -32.872 1.00 0.00 O ATOM 905 CB ASN A 57 23.140 6.117 -30.097 1.00 0.00 C ATOM 906 CG ASN A 57 22.966 5.471 -28.725 1.00 0.00 C ATOM 907 OD1 ASN A 57 23.856 5.522 -27.875 1.00 0.00 O ATOM 908 ND2 ASN A 57 21.814 4.851 -28.503 1.00 0.00 N ATOM 0 H ASN A 57 24.842 7.636 -29.074 1.00 0.00 H new ATOM 0 HA ASN A 57 25.092 5.206 -30.398 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.743 7.131 -30.064 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.546 5.566 -30.826 1.00 0.00 H new ATOM 0 HD21 ASN A 57 21.644 4.397 -27.606 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.099 4.828 -29.230 1.00 0.00 H new ATOM 915 N LYS A 58 24.845 7.675 -32.500 1.00 0.00 N ATOM 916 CA LYS A 58 24.988 8.071 -33.912 1.00 0.00 C ATOM 917 C LYS A 58 26.210 7.381 -34.557 1.00 0.00 C ATOM 918 O LYS A 58 26.084 6.673 -35.572 1.00 0.00 O ATOM 919 CB LYS A 58 25.140 9.614 -34.014 1.00 0.00 C ATOM 920 CG LYS A 58 25.147 10.157 -35.466 1.00 0.00 C ATOM 921 CD LYS A 58 25.406 11.684 -35.558 1.00 0.00 C ATOM 922 CE LYS A 58 24.357 12.530 -34.812 1.00 0.00 C ATOM 923 NZ LYS A 58 22.977 12.285 -35.303 1.00 0.00 N ATOM 0 H LYS A 58 24.892 8.460 -31.851 1.00 0.00 H new ATOM 0 HA LYS A 58 24.093 7.757 -34.449 1.00 0.00 H new ATOM 0 HB2 LYS A 58 24.324 10.085 -33.466 1.00 0.00 H new ATOM 0 HB3 LYS A 58 26.067 9.910 -33.523 1.00 0.00 H new ATOM 0 HG2 LYS A 58 25.913 9.632 -36.037 1.00 0.00 H new ATOM 0 HG3 LYS A 58 24.189 9.931 -35.934 1.00 0.00 H new ATOM 0 HD2 LYS A 58 26.393 11.902 -35.151 1.00 0.00 H new ATOM 0 HD3 LYS A 58 25.421 11.980 -36.607 1.00 0.00 H new ATOM 0 HE2 LYS A 58 24.405 12.306 -33.746 1.00 0.00 H new ATOM 0 HE3 LYS A 58 24.598 13.587 -34.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 22.315 12.914 -34.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 22.933 12.475 -36.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 22.715 11.295 -35.123 1.00 0.00 H new ATOM 937 N SER A 59 27.387 7.572 -33.928 1.00 0.00 N ATOM 938 CA SER A 59 28.653 7.031 -34.439 1.00 0.00 C ATOM 939 C SER A 59 28.652 5.500 -34.333 1.00 0.00 C ATOM 940 O SER A 59 29.027 4.816 -35.279 1.00 0.00 O ATOM 941 CB SER A 59 29.861 7.631 -33.679 1.00 0.00 C ATOM 942 OG SER A 59 29.847 7.270 -32.304 1.00 0.00 O ATOM 0 H SER A 59 27.482 8.101 -33.061 1.00 0.00 H new ATOM 0 HA SER A 59 28.748 7.310 -35.488 1.00 0.00 H new ATOM 0 HB2 SER A 59 30.788 7.285 -34.137 1.00 0.00 H new ATOM 0 HB3 SER A 59 29.846 8.717 -33.771 1.00 0.00 H new ATOM 0 HG SER A 59 28.922 7.240 -31.983 1.00 0.00 H new ATOM 948 N ILE A 60 28.176 4.987 -33.181 1.00 0.00 N ATOM 949 CA ILE A 60 28.137 3.539 -32.878 1.00 0.00 C ATOM 950 C ILE A 60 27.399 2.752 -33.984 1.00 0.00 C ATOM 951 O ILE A 60 27.938 1.781 -34.514 1.00 0.00 O ATOM 952 CB ILE A 60 27.424 3.264 -31.508 1.00 0.00 C ATOM 953 CG1 ILE A 60 28.132 4.002 -30.332 1.00 0.00 C ATOM 954 CG2 ILE A 60 27.343 1.745 -31.215 1.00 0.00 C ATOM 955 CD1 ILE A 60 27.309 4.051 -29.058 1.00 0.00 C ATOM 0 H ILE A 60 27.805 5.568 -32.429 1.00 0.00 H new ATOM 0 HA ILE A 60 29.173 3.203 -32.824 1.00 0.00 H new ATOM 0 HB ILE A 60 26.411 3.657 -31.591 1.00 0.00 H new ATOM 0 HG12 ILE A 60 29.080 3.507 -30.123 1.00 0.00 H new ATOM 0 HG13 ILE A 60 28.366 5.020 -30.642 1.00 0.00 H new ATOM 0 HG21 ILE A 60 26.844 1.585 -30.259 1.00 0.00 H new ATOM 0 HG22 ILE A 60 26.779 1.251 -32.006 1.00 0.00 H new ATOM 0 HG23 ILE A 60 28.349 1.328 -31.173 1.00 0.00 H new ATOM 0 HD11 ILE A 60 27.867 4.580 -28.285 1.00 0.00 H new ATOM 0 HD12 ILE A 60 26.372 4.573 -29.250 1.00 0.00 H new ATOM 0 HD13 ILE A 60 27.097 3.036 -28.723 1.00 0.00 H new ATOM 967 N ARG A 61 26.173 3.196 -34.321 1.00 0.00 N ATOM 968 CA ARG A 61 25.345 2.541 -35.359 1.00 0.00 C ATOM 969 C ARG A 61 25.934 2.789 -36.765 1.00 0.00 C ATOM 970 O ARG A 61 25.712 1.999 -37.675 1.00 0.00 O ATOM 971 CB ARG A 61 23.875 3.044 -35.292 1.00 0.00 C ATOM 972 CG ARG A 61 23.678 4.500 -35.766 1.00 0.00 C ATOM 973 CD ARG A 61 22.236 4.996 -35.632 1.00 0.00 C ATOM 974 NE ARG A 61 22.054 6.305 -36.293 1.00 0.00 N ATOM 975 CZ ARG A 61 21.446 6.494 -37.479 1.00 0.00 C ATOM 976 NH1 ARG A 61 20.918 5.471 -38.144 1.00 0.00 N ATOM 977 NH2 ARG A 61 21.373 7.714 -37.994 1.00 0.00 N ATOM 0 H ARG A 61 25.731 4.008 -33.890 1.00 0.00 H new ATOM 0 HA ARG A 61 25.350 1.468 -35.167 1.00 0.00 H new ATOM 0 HB2 ARG A 61 23.251 2.389 -35.900 1.00 0.00 H new ATOM 0 HB3 ARG A 61 23.521 2.958 -34.265 1.00 0.00 H new ATOM 0 HG2 ARG A 61 24.333 5.153 -35.190 1.00 0.00 H new ATOM 0 HG3 ARG A 61 23.986 4.579 -36.809 1.00 0.00 H new ATOM 0 HD2 ARG A 61 21.556 4.267 -36.072 1.00 0.00 H new ATOM 0 HD3 ARG A 61 21.975 5.080 -34.577 1.00 0.00 H new ATOM 0 HE ARG A 61 22.417 7.129 -35.814 1.00 0.00 H new ATOM 0 HH11 ARG A 61 20.971 4.529 -37.756 1.00 0.00 H new ATOM 0 HH12 ARG A 61 20.460 5.628 -39.042 1.00 0.00 H new ATOM 0 HH21 ARG A 61 21.777 8.505 -37.492 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.913 7.862 -38.892 1.00 0.00 H new ATOM 991 N LYS A 62 26.661 3.911 -36.942 1.00 0.00 N ATOM 992 CA LYS A 62 27.308 4.237 -38.227 1.00 0.00 C ATOM 993 C LYS A 62 28.528 3.315 -38.496 1.00 0.00 C ATOM 994 O LYS A 62 28.814 2.981 -39.650 1.00 0.00 O ATOM 995 CB LYS A 62 27.731 5.732 -38.271 1.00 0.00 C ATOM 996 CG LYS A 62 28.231 6.222 -39.652 1.00 0.00 C ATOM 997 CD LYS A 62 27.151 6.074 -40.755 1.00 0.00 C ATOM 998 CE LYS A 62 27.640 6.536 -42.137 1.00 0.00 C ATOM 999 NZ LYS A 62 27.999 7.980 -42.156 1.00 0.00 N ATOM 0 H LYS A 62 26.814 4.606 -36.211 1.00 0.00 H new ATOM 0 HA LYS A 62 26.577 4.064 -39.017 1.00 0.00 H new ATOM 0 HB2 LYS A 62 26.882 6.345 -37.969 1.00 0.00 H new ATOM 0 HB3 LYS A 62 28.519 5.894 -37.536 1.00 0.00 H new ATOM 0 HG2 LYS A 62 28.530 7.267 -39.578 1.00 0.00 H new ATOM 0 HG3 LYS A 62 29.118 5.656 -39.937 1.00 0.00 H new ATOM 0 HD2 LYS A 62 26.841 5.031 -40.815 1.00 0.00 H new ATOM 0 HD3 LYS A 62 26.271 6.653 -40.475 1.00 0.00 H new ATOM 0 HE2 LYS A 62 28.508 5.944 -42.429 1.00 0.00 H new ATOM 0 HE3 LYS A 62 26.862 6.348 -42.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 28.242 8.265 -43.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 27.191 8.543 -41.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 28.816 8.143 -41.533 1.00 0.00 H new ATOM 1013 N ASN A 63 29.236 2.912 -37.425 1.00 0.00 N ATOM 1014 CA ASN A 63 30.412 2.016 -37.534 1.00 0.00 C ATOM 1015 C ASN A 63 29.973 0.545 -37.528 1.00 0.00 C ATOM 1016 O ASN A 63 30.553 -0.289 -38.229 1.00 0.00 O ATOM 1017 CB ASN A 63 31.425 2.272 -36.384 1.00 0.00 C ATOM 1018 CG ASN A 63 32.076 3.656 -36.451 1.00 0.00 C ATOM 1019 OD1 ASN A 63 32.992 3.893 -37.242 1.00 0.00 O ATOM 1020 ND2 ASN A 63 31.661 4.563 -35.585 1.00 0.00 N ATOM 0 H ASN A 63 29.016 3.192 -36.469 1.00 0.00 H new ATOM 0 HA ASN A 63 30.907 2.235 -38.480 1.00 0.00 H new ATOM 0 HB2 ASN A 63 30.914 2.164 -35.427 1.00 0.00 H new ATOM 0 HB3 ASN A 63 32.203 1.509 -36.417 1.00 0.00 H new ATOM 0 HD21 ASN A 63 32.100 5.483 -35.561 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.901 4.343 -34.941 1.00 0.00 H new ATOM 1027 N ARG A 64 28.949 0.240 -36.717 1.00 0.00 N ATOM 1028 CA ARG A 64 28.423 -1.122 -36.564 1.00 0.00 C ATOM 1029 C ARG A 64 27.192 -1.326 -37.436 1.00 0.00 C ATOM 1030 O ARG A 64 26.208 -0.593 -37.330 1.00 0.00 O ATOM 1031 CB ARG A 64 28.071 -1.443 -35.091 1.00 0.00 C ATOM 1032 CG ARG A 64 29.285 -1.474 -34.140 1.00 0.00 C ATOM 1033 CD ARG A 64 28.941 -2.114 -32.788 1.00 0.00 C ATOM 1034 NE ARG A 64 30.109 -2.233 -31.898 1.00 0.00 N ATOM 1035 CZ ARG A 64 31.092 -3.147 -32.010 1.00 0.00 C ATOM 1036 NH1 ARG A 64 31.201 -3.924 -33.076 1.00 0.00 N ATOM 1037 NH2 ARG A 64 31.988 -3.254 -31.051 1.00 0.00 N ATOM 0 H ARG A 64 28.462 0.933 -36.148 1.00 0.00 H new ATOM 0 HA ARG A 64 29.211 -1.804 -36.883 1.00 0.00 H new ATOM 0 HB2 ARG A 64 27.360 -0.700 -34.729 1.00 0.00 H new ATOM 0 HB3 ARG A 64 27.569 -2.410 -35.052 1.00 0.00 H new ATOM 0 HG2 ARG A 64 30.098 -2.030 -34.608 1.00 0.00 H new ATOM 0 HG3 ARG A 64 29.645 -0.458 -33.979 1.00 0.00 H new ATOM 0 HD2 ARG A 64 28.173 -1.518 -32.294 1.00 0.00 H new ATOM 0 HD3 ARG A 64 28.517 -3.104 -32.957 1.00 0.00 H new ATOM 0 HE ARG A 64 30.179 -1.565 -31.130 1.00 0.00 H new ATOM 0 HH11 ARG A 64 30.530 -3.839 -33.840 1.00 0.00 H new ATOM 0 HH12 ARG A 64 31.956 -4.608 -33.134 1.00 0.00 H new ATOM 0 HH21 ARG A 64 31.934 -2.648 -30.232 1.00 0.00 H new ATOM 0 HH22 ARG A 64 32.736 -3.943 -31.127 1.00 0.00 H new ATOM 1051 N ASN A 65 27.255 -2.357 -38.271 1.00 0.00 N ATOM 1052 CA ASN A 65 26.104 -2.823 -39.050 1.00 0.00 C ATOM 1053 C ASN A 65 25.175 -3.652 -38.142 1.00 0.00 C ATOM 1054 O ASN A 65 25.439 -3.815 -36.933 1.00 0.00 O ATOM 1055 CB ASN A 65 26.563 -3.652 -40.281 1.00 0.00 C ATOM 1056 CG ASN A 65 27.391 -2.840 -41.279 1.00 0.00 C ATOM 1057 OD1 ASN A 65 26.860 -2.245 -42.219 1.00 0.00 O ATOM 1058 ND2 ASN A 65 28.694 -2.792 -41.061 1.00 0.00 N ATOM 0 H ASN A 65 28.105 -2.897 -38.430 1.00 0.00 H new ATOM 0 HA ASN A 65 25.556 -1.959 -39.426 1.00 0.00 H new ATOM 0 HB2 ASN A 65 27.151 -4.504 -39.939 1.00 0.00 H new ATOM 0 HB3 ASN A 65 25.686 -4.054 -40.788 1.00 0.00 H new ATOM 0 HD21 ASN A 65 29.295 -2.249 -41.681 1.00 0.00 H new ATOM 0 HD22 ASN A 65 29.098 -3.297 -40.273 1.00 0.00 H new ATOM 1065 N CYS A 66 24.101 -4.175 -38.741 1.00 0.00 N ATOM 1066 CA CYS A 66 23.068 -4.928 -38.028 1.00 0.00 C ATOM 1067 C CYS A 66 23.652 -6.144 -37.270 1.00 0.00 C ATOM 1068 O CYS A 66 23.325 -6.336 -36.112 1.00 0.00 O ATOM 1069 CB CYS A 66 21.983 -5.373 -39.017 1.00 0.00 C ATOM 1070 SG CYS A 66 21.228 -4.004 -39.931 1.00 0.00 S ATOM 0 H CYS A 66 23.924 -4.086 -39.742 1.00 0.00 H new ATOM 0 HA CYS A 66 22.628 -4.271 -37.277 1.00 0.00 H new ATOM 0 HB2 CYS A 66 22.417 -6.077 -39.727 1.00 0.00 H new ATOM 0 HB3 CYS A 66 21.205 -5.908 -38.473 1.00 0.00 H new ATOM 0 HG CYS A 66 19.960 -4.238 -40.093 1.00 0.00 H new ATOM 1076 N SER A 67 24.569 -6.899 -37.920 1.00 0.00 N ATOM 1077 CA SER A 67 25.092 -8.203 -37.412 1.00 0.00 C ATOM 1078 C SER A 67 25.678 -8.119 -35.981 1.00 0.00 C ATOM 1079 O SER A 67 25.419 -8.994 -35.146 1.00 0.00 O ATOM 1080 CB SER A 67 26.157 -8.761 -38.384 1.00 0.00 C ATOM 1081 OG SER A 67 25.634 -8.881 -39.700 1.00 0.00 O ATOM 0 H SER A 67 24.973 -6.625 -38.816 1.00 0.00 H new ATOM 0 HA SER A 67 24.237 -8.878 -37.359 1.00 0.00 H new ATOM 0 HB2 SER A 67 27.026 -8.103 -38.393 1.00 0.00 H new ATOM 0 HB3 SER A 67 26.498 -9.735 -38.034 1.00 0.00 H new ATOM 0 HG SER A 67 26.327 -9.234 -40.296 1.00 0.00 H new ATOM 1087 N GLN A 68 26.450 -7.058 -35.714 1.00 0.00 N ATOM 1088 CA GLN A 68 27.069 -6.807 -34.389 1.00 0.00 C ATOM 1089 C GLN A 68 26.012 -6.585 -33.304 1.00 0.00 C ATOM 1090 O GLN A 68 26.161 -7.039 -32.171 1.00 0.00 O ATOM 1091 CB GLN A 68 28.002 -5.569 -34.466 1.00 0.00 C ATOM 1092 CG GLN A 68 29.369 -5.847 -35.107 1.00 0.00 C ATOM 1093 CD GLN A 68 30.251 -6.802 -34.279 1.00 0.00 C ATOM 1094 OE1 GLN A 68 30.158 -6.728 -32.947 1.00 0.00 O flip ATOM 1095 NE2 GLN A 68 31.041 -7.569 -34.833 1.00 0.00 N flip ATOM 0 H GLN A 68 26.669 -6.342 -36.407 1.00 0.00 H new ATOM 0 HA GLN A 68 27.648 -7.691 -34.122 1.00 0.00 H new ATOM 0 HB2 GLN A 68 27.500 -4.785 -35.034 1.00 0.00 H new ATOM 0 HB3 GLN A 68 28.158 -5.183 -33.459 1.00 0.00 H new ATOM 0 HG2 GLN A 68 29.217 -6.273 -36.099 1.00 0.00 H new ATOM 0 HG3 GLN A 68 29.897 -4.903 -35.243 1.00 0.00 H new ATOM 0 HE21 GLN A 68 31.089 -7.603 -35.851 1.00 0.00 H new ATOM 0 HE22 GLN A 68 31.646 -8.169 -34.273 1.00 0.00 H new ATOM 1104 N LEU A 69 24.962 -5.869 -33.685 1.00 0.00 N ATOM 1105 CA LEU A 69 23.897 -5.429 -32.778 1.00 0.00 C ATOM 1106 C LEU A 69 22.866 -6.556 -32.542 1.00 0.00 C ATOM 1107 O LEU A 69 22.256 -6.628 -31.470 1.00 0.00 O ATOM 1108 CB LEU A 69 23.273 -4.143 -33.372 1.00 0.00 C ATOM 1109 CG LEU A 69 24.308 -3.012 -33.690 1.00 0.00 C ATOM 1110 CD1 LEU A 69 23.652 -1.812 -34.379 1.00 0.00 C ATOM 1111 CD2 LEU A 69 25.076 -2.581 -32.419 1.00 0.00 C ATOM 0 H LEU A 69 24.819 -5.570 -34.650 1.00 0.00 H new ATOM 0 HA LEU A 69 24.297 -5.198 -31.791 1.00 0.00 H new ATOM 0 HB2 LEU A 69 22.741 -4.401 -34.288 1.00 0.00 H new ATOM 0 HB3 LEU A 69 22.533 -3.756 -32.672 1.00 0.00 H new ATOM 0 HG LEU A 69 25.031 -3.427 -34.392 1.00 0.00 H new ATOM 0 HD11 LEU A 69 24.406 -1.051 -34.581 1.00 0.00 H new ATOM 0 HD12 LEU A 69 23.200 -2.133 -35.317 1.00 0.00 H new ATOM 0 HD13 LEU A 69 22.882 -1.396 -33.729 1.00 0.00 H new ATOM 0 HD21 LEU A 69 25.787 -1.795 -32.673 1.00 0.00 H new ATOM 0 HD22 LEU A 69 24.371 -2.207 -31.677 1.00 0.00 H new ATOM 0 HD23 LEU A 69 25.613 -3.437 -32.010 1.00 0.00 H new ATOM 1123 N ILE A 70 22.687 -7.432 -33.554 1.00 0.00 N ATOM 1124 CA ILE A 70 21.948 -8.710 -33.416 1.00 0.00 C ATOM 1125 C ILE A 70 22.650 -9.544 -32.337 1.00 0.00 C ATOM 1126 O ILE A 70 22.054 -9.884 -31.322 1.00 0.00 O ATOM 1127 CB ILE A 70 21.910 -9.555 -34.763 1.00 0.00 C ATOM 1128 CG1 ILE A 70 21.264 -8.744 -35.925 1.00 0.00 C ATOM 1129 CG2 ILE A 70 21.170 -10.908 -34.564 1.00 0.00 C ATOM 1130 CD1 ILE A 70 21.371 -9.368 -37.311 1.00 0.00 C ATOM 0 H ILE A 70 23.051 -7.274 -34.494 1.00 0.00 H new ATOM 0 HA ILE A 70 20.916 -8.474 -33.154 1.00 0.00 H new ATOM 0 HB ILE A 70 22.943 -9.772 -35.036 1.00 0.00 H new ATOM 0 HG12 ILE A 70 20.209 -8.594 -35.695 1.00 0.00 H new ATOM 0 HG13 ILE A 70 21.727 -7.758 -35.955 1.00 0.00 H new ATOM 0 HG21 ILE A 70 21.162 -11.460 -35.504 1.00 0.00 H new ATOM 0 HG22 ILE A 70 21.683 -11.495 -33.802 1.00 0.00 H new ATOM 0 HG23 ILE A 70 20.145 -10.719 -34.246 1.00 0.00 H new ATOM 0 HD11 ILE A 70 20.888 -8.718 -38.041 1.00 0.00 H new ATOM 0 HD12 ILE A 70 22.421 -9.491 -37.574 1.00 0.00 H new ATOM 0 HD13 ILE A 70 20.880 -10.341 -37.311 1.00 0.00 H new ATOM 1142 N ALA A 71 23.954 -9.795 -32.571 1.00 0.00 N ATOM 1143 CA ALA A 71 24.821 -10.592 -31.686 1.00 0.00 C ATOM 1144 C ALA A 71 24.893 -9.993 -30.271 1.00 0.00 C ATOM 1145 O ALA A 71 25.005 -10.728 -29.295 1.00 0.00 O ATOM 1146 CB ALA A 71 26.224 -10.709 -32.300 1.00 0.00 C ATOM 0 H ALA A 71 24.441 -9.442 -33.395 1.00 0.00 H new ATOM 0 HA ALA A 71 24.388 -11.588 -31.592 1.00 0.00 H new ATOM 0 HB1 ALA A 71 26.861 -11.299 -31.642 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.156 -11.197 -33.272 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.652 -9.714 -32.422 1.00 0.00 H new ATOM 1152 N ALA A 72 24.830 -8.654 -30.187 1.00 0.00 N ATOM 1153 CA ALA A 72 24.783 -7.928 -28.906 1.00 0.00 C ATOM 1154 C ALA A 72 23.482 -8.249 -28.134 1.00 0.00 C ATOM 1155 O ALA A 72 23.533 -8.588 -26.955 1.00 0.00 O ATOM 1156 CB ALA A 72 24.934 -6.418 -29.137 1.00 0.00 C ATOM 0 H ALA A 72 24.810 -8.044 -31.004 1.00 0.00 H new ATOM 0 HA ALA A 72 25.620 -8.262 -28.293 1.00 0.00 H new ATOM 0 HB1 ALA A 72 24.897 -5.898 -28.180 1.00 0.00 H new ATOM 0 HB2 ALA A 72 25.889 -6.218 -29.622 1.00 0.00 H new ATOM 0 HB3 ALA A 72 24.123 -6.064 -29.774 1.00 0.00 H new ATOM 1162 N TYR A 73 22.323 -8.173 -28.831 1.00 0.00 N ATOM 1163 CA TYR A 73 20.992 -8.438 -28.219 1.00 0.00 C ATOM 1164 C TYR A 73 20.835 -9.927 -27.836 1.00 0.00 C ATOM 1165 O TYR A 73 20.167 -10.258 -26.845 1.00 0.00 O ATOM 1166 CB TYR A 73 19.847 -8.011 -29.172 1.00 0.00 C ATOM 1167 CG TYR A 73 18.443 -8.108 -28.542 1.00 0.00 C ATOM 1168 CD1 TYR A 73 17.991 -7.134 -27.652 1.00 0.00 C ATOM 1169 CD2 TYR A 73 17.572 -9.168 -28.829 1.00 0.00 C ATOM 1170 CE1 TYR A 73 16.744 -7.210 -27.072 1.00 0.00 C ATOM 1171 CE2 TYR A 73 16.316 -9.244 -28.250 1.00 0.00 C ATOM 1172 CZ TYR A 73 15.910 -8.258 -27.372 1.00 0.00 C ATOM 1173 OH TYR A 73 14.665 -8.319 -26.796 1.00 0.00 O ATOM 0 H TYR A 73 22.280 -7.930 -29.821 1.00 0.00 H new ATOM 0 HA TYR A 73 20.929 -7.842 -27.309 1.00 0.00 H new ATOM 0 HB2 TYR A 73 20.020 -6.984 -29.495 1.00 0.00 H new ATOM 0 HB3 TYR A 73 19.878 -8.636 -30.065 1.00 0.00 H new ATOM 0 HD1 TYR A 73 18.634 -6.300 -27.412 1.00 0.00 H new ATOM 0 HD2 TYR A 73 17.886 -9.941 -29.515 1.00 0.00 H new ATOM 0 HE1 TYR A 73 16.422 -6.445 -26.381 1.00 0.00 H new ATOM 0 HE2 TYR A 73 15.659 -10.069 -28.483 1.00 0.00 H new ATOM 0 HH TYR A 73 14.179 -9.094 -27.148 1.00 0.00 H new ATOM 1183 N LYS A 74 21.450 -10.810 -28.638 1.00 0.00 N ATOM 1184 CA LYS A 74 21.443 -12.263 -28.393 1.00 0.00 C ATOM 1185 C LYS A 74 22.224 -12.557 -27.122 1.00 0.00 C ATOM 1186 O LYS A 74 21.687 -13.116 -26.181 1.00 0.00 O ATOM 1187 CB LYS A 74 22.062 -13.026 -29.589 1.00 0.00 C ATOM 1188 CG LYS A 74 21.268 -12.879 -30.891 1.00 0.00 C ATOM 1189 CD LYS A 74 21.959 -13.540 -32.098 1.00 0.00 C ATOM 1190 CE LYS A 74 21.945 -15.071 -32.042 1.00 0.00 C ATOM 1191 NZ LYS A 74 22.682 -15.668 -33.187 1.00 0.00 N ATOM 0 H LYS A 74 21.966 -10.538 -29.475 1.00 0.00 H new ATOM 0 HA LYS A 74 20.413 -12.599 -28.277 1.00 0.00 H new ATOM 0 HB2 LYS A 74 23.078 -12.667 -29.751 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.135 -14.084 -29.336 1.00 0.00 H new ATOM 0 HG2 LYS A 74 20.280 -13.320 -30.759 1.00 0.00 H new ATOM 0 HG3 LYS A 74 21.118 -11.820 -31.101 1.00 0.00 H new ATOM 0 HD2 LYS A 74 21.467 -13.213 -33.014 1.00 0.00 H new ATOM 0 HD3 LYS A 74 22.992 -13.195 -32.150 1.00 0.00 H new ATOM 0 HE2 LYS A 74 22.393 -15.405 -31.106 1.00 0.00 H new ATOM 0 HE3 LYS A 74 20.915 -15.426 -32.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 22.652 -16.705 -33.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 22.239 -15.369 -34.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 23.671 -15.348 -33.168 1.00 0.00 H new ATOM 1205 N ASP A 75 23.483 -12.100 -27.103 1.00 0.00 N ATOM 1206 CA ASP A 75 24.396 -12.237 -25.950 1.00 0.00 C ATOM 1207 C ASP A 75 23.779 -11.630 -24.673 1.00 0.00 C ATOM 1208 O ASP A 75 24.005 -12.129 -23.584 1.00 0.00 O ATOM 1209 CB ASP A 75 25.742 -11.540 -26.279 1.00 0.00 C ATOM 1210 CG ASP A 75 26.804 -11.643 -25.162 1.00 0.00 C ATOM 1211 OD1 ASP A 75 27.471 -12.694 -25.061 1.00 0.00 O ATOM 1212 OD2 ASP A 75 26.994 -10.667 -24.401 1.00 0.00 O ATOM 0 H ASP A 75 23.906 -11.618 -27.896 1.00 0.00 H new ATOM 0 HA ASP A 75 24.566 -13.297 -25.763 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.149 -11.975 -27.192 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.551 -10.487 -26.486 1.00 0.00 H new ATOM 1217 N PHE A 76 22.987 -10.569 -24.858 1.00 0.00 N ATOM 1218 CA PHE A 76 22.273 -9.841 -23.787 1.00 0.00 C ATOM 1219 C PHE A 76 21.188 -10.728 -23.131 1.00 0.00 C ATOM 1220 O PHE A 76 21.129 -10.870 -21.887 1.00 0.00 O ATOM 1221 CB PHE A 76 21.633 -8.577 -24.427 1.00 0.00 C ATOM 1222 CG PHE A 76 21.135 -7.509 -23.479 1.00 0.00 C ATOM 1223 CD1 PHE A 76 21.851 -7.189 -22.338 1.00 0.00 C ATOM 1224 CD2 PHE A 76 19.974 -6.782 -23.756 1.00 0.00 C ATOM 1225 CE1 PHE A 76 21.427 -6.191 -21.505 1.00 0.00 C ATOM 1226 CE2 PHE A 76 19.551 -5.781 -22.910 1.00 0.00 C ATOM 1227 CZ PHE A 76 20.282 -5.482 -21.787 1.00 0.00 C ATOM 0 H PHE A 76 22.815 -10.176 -25.783 1.00 0.00 H new ATOM 0 HA PHE A 76 22.971 -9.561 -22.998 1.00 0.00 H new ATOM 0 HB2 PHE A 76 22.368 -8.124 -25.092 1.00 0.00 H new ATOM 0 HB3 PHE A 76 20.796 -8.897 -25.047 1.00 0.00 H new ATOM 0 HD1 PHE A 76 22.754 -7.733 -22.103 1.00 0.00 H new ATOM 0 HD2 PHE A 76 19.402 -7.008 -24.644 1.00 0.00 H new ATOM 0 HE1 PHE A 76 21.996 -5.957 -20.617 1.00 0.00 H new ATOM 0 HE2 PHE A 76 18.647 -5.233 -23.129 1.00 0.00 H new ATOM 0 HZ PHE A 76 19.959 -4.691 -21.126 1.00 0.00 H new ATOM 1237 N CYS A 77 20.337 -11.317 -23.986 1.00 0.00 N ATOM 1238 CA CYS A 77 19.236 -12.186 -23.550 1.00 0.00 C ATOM 1239 C CYS A 77 19.809 -13.473 -22.914 1.00 0.00 C ATOM 1240 O CYS A 77 19.399 -13.875 -21.834 1.00 0.00 O ATOM 1241 CB CYS A 77 18.311 -12.515 -24.748 1.00 0.00 C ATOM 1242 SG CYS A 77 16.801 -13.415 -24.315 1.00 0.00 S ATOM 0 H CYS A 77 20.394 -11.203 -24.998 1.00 0.00 H new ATOM 0 HA CYS A 77 18.639 -11.669 -22.799 1.00 0.00 H new ATOM 0 HB2 CYS A 77 18.033 -11.584 -25.241 1.00 0.00 H new ATOM 0 HB3 CYS A 77 18.873 -13.104 -25.472 1.00 0.00 H new ATOM 0 HG CYS A 77 16.103 -13.635 -25.390 1.00 0.00 H new ATOM 1248 N GLU A 78 20.823 -14.057 -23.573 1.00 0.00 N ATOM 1249 CA GLU A 78 21.510 -15.290 -23.115 1.00 0.00 C ATOM 1250 C GLU A 78 22.286 -15.033 -21.803 1.00 0.00 C ATOM 1251 O GLU A 78 22.469 -15.946 -20.988 1.00 0.00 O ATOM 1252 CB GLU A 78 22.466 -15.812 -24.224 1.00 0.00 C ATOM 1253 CG GLU A 78 21.754 -16.138 -25.553 1.00 0.00 C ATOM 1254 CD GLU A 78 22.692 -16.593 -26.684 1.00 0.00 C ATOM 1255 OE1 GLU A 78 23.398 -17.611 -26.513 1.00 0.00 O ATOM 1256 OE2 GLU A 78 22.713 -15.952 -27.761 1.00 0.00 O ATOM 0 H GLU A 78 21.197 -13.688 -24.447 1.00 0.00 H new ATOM 0 HA GLU A 78 20.757 -16.052 -22.915 1.00 0.00 H new ATOM 0 HB2 GLU A 78 23.237 -15.064 -24.409 1.00 0.00 H new ATOM 0 HB3 GLU A 78 22.972 -16.708 -23.864 1.00 0.00 H new ATOM 0 HG2 GLU A 78 21.016 -16.920 -25.373 1.00 0.00 H new ATOM 0 HG3 GLU A 78 21.208 -15.255 -25.884 1.00 0.00 H new ATOM 1263 N HIS A 79 22.735 -13.772 -21.625 1.00 0.00 N ATOM 1264 CA HIS A 79 23.397 -13.298 -20.387 1.00 0.00 C ATOM 1265 C HIS A 79 22.394 -13.279 -19.228 1.00 0.00 C ATOM 1266 O HIS A 79 22.763 -13.547 -18.084 1.00 0.00 O ATOM 1267 CB HIS A 79 24.004 -11.878 -20.578 1.00 0.00 C ATOM 1268 CG HIS A 79 24.806 -11.358 -19.412 1.00 0.00 C ATOM 1269 ND1 HIS A 79 24.433 -10.258 -18.661 1.00 0.00 N ATOM 1270 CD2 HIS A 79 25.987 -11.774 -18.894 1.00 0.00 C ATOM 1271 CE1 HIS A 79 25.350 -10.026 -17.738 1.00 0.00 C ATOM 1272 NE2 HIS A 79 26.300 -10.930 -17.858 1.00 0.00 N ATOM 0 H HIS A 79 22.649 -13.049 -22.339 1.00 0.00 H new ATOM 0 HA HIS A 79 24.208 -13.988 -20.156 1.00 0.00 H new ATOM 0 HB2 HIS A 79 24.643 -11.890 -21.461 1.00 0.00 H new ATOM 0 HB3 HIS A 79 23.193 -11.178 -20.781 1.00 0.00 H new ATOM 0 HD2 HIS A 79 26.574 -12.615 -19.234 1.00 0.00 H new ATOM 0 HE1 HIS A 79 25.325 -9.230 -17.009 1.00 0.00 H new ATOM 0 HE2 HIS A 79 27.134 -10.993 -17.275 1.00 0.00 H new ATOM 1281 N GLY A 80 21.124 -12.948 -19.528 1.00 0.00 N ATOM 1282 CA GLY A 80 20.086 -12.959 -18.489 1.00 0.00 C ATOM 1283 C GLY A 80 19.822 -11.577 -17.933 1.00 0.00 C ATOM 1284 O GLY A 80 19.820 -11.404 -16.709 1.00 0.00 O ATOM 0 H GLY A 80 20.801 -12.677 -20.457 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.163 -13.365 -18.904 1.00 0.00 H new ATOM 0 HA3 GLY A 80 20.391 -13.623 -17.680 1.00 0.00 H new