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 66 CYS SG : rot 180:sc= -0.608 USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 40 GLN :FLIP amide:sc= -0.353 F(o=-2.2!,f=-0.36) USER MOD Set 2.2: A 57 ASN : amide:sc=-0.00434 K(o=-0.36,f=-2.2) USER MOD Set 3.1: A 33 ASN : amide:sc= -0.587 K(o=0.084,f=-0.57) USER MOD Set 3.2: A 37 THR OG1 : rot 68:sc= 0.672 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= -0.54 K(o=-0.54,f=-1.3) USER MOD Single : A 23 GLN : amide:sc= -0.0377 X(o=-0.038,f=-0.27) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -79:sc= 1.35 USER MOD Single : A 32 LYS NZ :NH3+ 160:sc= 0.782 (180deg=-0.125) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0707) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.017 F(o=-1.1,f=-0.017) USER MOD Single : A 50 HIS : no HD1:sc= -0.108 X(o=-0.11,f=0.014) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -150:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0101) USER MOD Single : A 63 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -0.329 K(o=-0.33,f=-7!) USER MOD Single : A 73 TYR OH : rot 175:sc= 0.587 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 83:sc= 0.476 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 194 N MET A 13 10.222 -0.953 -22.165 1.00 0.00 N ATOM 195 CA MET A 13 10.254 -0.385 -23.514 1.00 0.00 C ATOM 196 C MET A 13 11.082 -1.295 -24.434 1.00 0.00 C ATOM 197 O MET A 13 12.204 -1.682 -24.083 1.00 0.00 O ATOM 198 CB MET A 13 10.825 1.063 -23.521 1.00 0.00 C ATOM 199 CG MET A 13 12.268 1.243 -22.979 1.00 0.00 C ATOM 200 SD MET A 13 13.327 2.228 -24.072 1.00 0.00 S ATOM 201 CE MET A 13 13.700 1.077 -25.408 1.00 0.00 C ATOM 0 HA MET A 13 9.230 -0.327 -23.883 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.797 1.436 -24.545 1.00 0.00 H new ATOM 0 HB3 MET A 13 10.159 1.695 -22.933 1.00 0.00 H new ATOM 0 HG2 MET A 13 12.224 1.721 -22.000 1.00 0.00 H new ATOM 0 HG3 MET A 13 12.720 0.261 -22.835 1.00 0.00 H new ATOM 0 HE1 MET A 13 14.343 1.566 -26.140 1.00 0.00 H new ATOM 0 HE2 MET A 13 14.210 0.203 -25.003 1.00 0.00 H new ATOM 0 HE3 MET A 13 12.773 0.765 -25.889 1.00 0.00 H new ATOM 211 N GLY A 14 10.480 -1.675 -25.566 1.00 0.00 N ATOM 212 CA GLY A 14 11.167 -2.425 -26.601 1.00 0.00 C ATOM 213 C GLY A 14 11.615 -3.825 -26.185 1.00 0.00 C ATOM 214 O GLY A 14 12.732 -4.236 -26.494 1.00 0.00 O ATOM 0 H GLY A 14 9.505 -1.468 -25.782 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.509 -2.511 -27.466 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.042 -1.859 -26.921 1.00 0.00 H new ATOM 218 N CYS A 15 10.754 -4.558 -25.474 1.00 0.00 N ATOM 219 CA CYS A 15 11.008 -5.976 -25.167 1.00 0.00 C ATOM 220 C CYS A 15 10.658 -6.820 -26.415 1.00 0.00 C ATOM 221 O CYS A 15 9.485 -7.140 -26.642 1.00 0.00 O ATOM 222 CB CYS A 15 10.178 -6.415 -23.937 1.00 0.00 C ATOM 223 SG CYS A 15 10.452 -8.124 -23.415 1.00 0.00 S ATOM 0 H CYS A 15 9.876 -4.198 -25.099 1.00 0.00 H new ATOM 0 HA CYS A 15 12.059 -6.126 -24.919 1.00 0.00 H new ATOM 0 HB2 CYS A 15 10.410 -5.753 -23.103 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.120 -6.283 -24.163 1.00 0.00 H new ATOM 0 HG CYS A 15 9.711 -8.385 -22.379 1.00 0.00 H new ATOM 229 N TRP A 16 11.671 -7.100 -27.266 1.00 0.00 N ATOM 230 CA TRP A 16 11.486 -7.860 -28.527 1.00 0.00 C ATOM 231 C TRP A 16 11.993 -9.303 -28.359 1.00 0.00 C ATOM 232 O TRP A 16 12.415 -9.708 -27.270 1.00 0.00 O ATOM 233 CB TRP A 16 12.247 -7.176 -29.712 1.00 0.00 C ATOM 234 CG TRP A 16 12.106 -5.669 -29.754 1.00 0.00 C ATOM 235 CD1 TRP A 16 10.981 -4.944 -30.032 1.00 0.00 C ATOM 236 CD2 TRP A 16 13.139 -4.712 -29.498 1.00 0.00 C ATOM 237 NE1 TRP A 16 11.255 -3.605 -29.961 1.00 0.00 N ATOM 238 CE2 TRP A 16 12.576 -3.438 -29.638 1.00 0.00 C ATOM 239 CE3 TRP A 16 14.491 -4.816 -29.172 1.00 0.00 C ATOM 240 CZ2 TRP A 16 13.311 -2.273 -29.444 1.00 0.00 C ATOM 241 CZ3 TRP A 16 15.218 -3.663 -28.976 1.00 0.00 C ATOM 242 CH2 TRP A 16 14.630 -2.403 -29.118 1.00 0.00 C ATOM 0 H TRP A 16 12.634 -6.808 -27.101 1.00 0.00 H new ATOM 0 HA TRP A 16 10.420 -7.873 -28.756 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.305 -7.429 -29.643 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.881 -7.590 -30.651 1.00 0.00 H new ATOM 0 HD1 TRP A 16 10.017 -5.366 -30.273 1.00 0.00 H new ATOM 0 HE1 TRP A 16 10.585 -2.853 -30.122 1.00 0.00 H new ATOM 0 HE3 TRP A 16 14.960 -5.784 -29.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 12.854 -1.300 -29.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 16.262 -3.734 -28.708 1.00 0.00 H new ATOM 0 HH2 TRP A 16 15.229 -1.517 -28.967 1.00 0.00 H new ATOM 253 N SER A 17 11.901 -10.083 -29.446 1.00 0.00 N ATOM 254 CA SER A 17 12.590 -11.378 -29.582 1.00 0.00 C ATOM 255 C SER A 17 13.797 -11.221 -30.525 1.00 0.00 C ATOM 256 O SER A 17 13.883 -10.228 -31.265 1.00 0.00 O ATOM 257 CB SER A 17 11.610 -12.452 -30.108 1.00 0.00 C ATOM 258 OG SER A 17 10.593 -12.720 -29.156 1.00 0.00 O ATOM 0 H SER A 17 11.343 -9.833 -30.262 1.00 0.00 H new ATOM 0 HA SER A 17 12.950 -11.703 -28.606 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.160 -12.113 -31.041 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.155 -13.369 -30.331 1.00 0.00 H new ATOM 0 HG SER A 17 9.984 -13.401 -29.511 1.00 0.00 H new ATOM 264 N ILE A 18 14.703 -12.217 -30.497 1.00 0.00 N ATOM 265 CA ILE A 18 15.934 -12.235 -31.321 1.00 0.00 C ATOM 266 C ILE A 18 15.602 -12.083 -32.816 1.00 0.00 C ATOM 267 O ILE A 18 16.269 -11.346 -33.536 1.00 0.00 O ATOM 268 CB ILE A 18 16.749 -13.575 -31.126 1.00 0.00 C ATOM 269 CG1 ILE A 18 17.102 -13.825 -29.626 1.00 0.00 C ATOM 270 CG2 ILE A 18 18.019 -13.610 -32.023 1.00 0.00 C ATOM 271 CD1 ILE A 18 17.901 -12.732 -28.956 1.00 0.00 C ATOM 0 H ILE A 18 14.604 -13.038 -29.900 1.00 0.00 H new ATOM 0 HA ILE A 18 16.541 -11.393 -30.988 1.00 0.00 H new ATOM 0 HB ILE A 18 16.102 -14.392 -31.446 1.00 0.00 H new ATOM 0 HG12 ILE A 18 16.175 -13.966 -29.071 1.00 0.00 H new ATOM 0 HG13 ILE A 18 17.662 -14.757 -29.553 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.553 -14.546 -31.861 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.727 -13.535 -33.070 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.668 -12.773 -31.767 1.00 0.00 H new ATOM 0 HD11 ILE A 18 18.092 -13.005 -27.918 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.849 -12.603 -29.478 1.00 0.00 H new ATOM 0 HD13 ILE A 18 17.339 -11.799 -28.988 1.00 0.00 H new ATOM 283 N GLU A 19 14.551 -12.787 -33.248 1.00 0.00 N ATOM 284 CA GLU A 19 14.140 -12.845 -34.650 1.00 0.00 C ATOM 285 C GLU A 19 13.536 -11.515 -35.133 1.00 0.00 C ATOM 286 O GLU A 19 13.774 -11.109 -36.270 1.00 0.00 O ATOM 287 CB GLU A 19 13.201 -14.050 -34.862 1.00 0.00 C ATOM 288 CG GLU A 19 13.929 -15.406 -34.721 1.00 0.00 C ATOM 289 CD GLU A 19 12.982 -16.619 -34.710 1.00 0.00 C ATOM 290 OE1 GLU A 19 12.514 -17.007 -33.614 1.00 0.00 O ATOM 291 OE2 GLU A 19 12.691 -17.182 -35.791 1.00 0.00 O ATOM 0 H GLU A 19 13.958 -13.337 -32.627 1.00 0.00 H new ATOM 0 HA GLU A 19 15.023 -12.996 -35.272 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.387 -14.003 -34.139 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.751 -13.985 -35.853 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.636 -15.516 -35.543 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.510 -15.402 -33.799 1.00 0.00 H new ATOM 298 N HIS A 20 12.797 -10.811 -34.255 1.00 0.00 N ATOM 299 CA HIS A 20 12.286 -9.455 -34.570 1.00 0.00 C ATOM 300 C HIS A 20 13.474 -8.495 -34.794 1.00 0.00 C ATOM 301 O HIS A 20 13.485 -7.694 -35.731 1.00 0.00 O ATOM 302 CB HIS A 20 11.375 -8.924 -33.435 1.00 0.00 C ATOM 303 CG HIS A 20 10.819 -7.539 -33.687 1.00 0.00 C ATOM 304 ND1 HIS A 20 9.715 -7.291 -34.478 1.00 0.00 N ATOM 305 CD2 HIS A 20 11.253 -6.325 -33.279 1.00 0.00 C ATOM 306 CE1 HIS A 20 9.495 -5.991 -34.533 1.00 0.00 C ATOM 307 NE2 HIS A 20 10.414 -5.381 -33.816 1.00 0.00 N ATOM 0 H HIS A 20 12.540 -11.151 -33.328 1.00 0.00 H new ATOM 0 HA HIS A 20 11.688 -9.512 -35.479 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.545 -9.617 -33.295 1.00 0.00 H new ATOM 0 HB3 HIS A 20 11.942 -8.913 -32.504 1.00 0.00 H new ATOM 0 HD1 HIS A 20 9.156 -8.003 -34.948 1.00 0.00 H new ATOM 0 HD2 HIS A 20 12.106 -6.133 -32.645 1.00 0.00 H new ATOM 0 HE1 HIS A 20 8.695 -5.509 -35.075 1.00 0.00 H new ATOM 316 N VAL A 21 14.469 -8.625 -33.918 1.00 0.00 N ATOM 317 CA VAL A 21 15.699 -7.837 -33.960 1.00 0.00 C ATOM 318 C VAL A 21 16.459 -8.080 -35.283 1.00 0.00 C ATOM 319 O VAL A 21 16.631 -7.156 -36.052 1.00 0.00 O ATOM 320 CB VAL A 21 16.577 -8.167 -32.694 1.00 0.00 C ATOM 321 CG1 VAL A 21 18.035 -7.664 -32.820 1.00 0.00 C ATOM 322 CG2 VAL A 21 15.894 -7.598 -31.425 1.00 0.00 C ATOM 0 H VAL A 21 14.442 -9.292 -33.147 1.00 0.00 H new ATOM 0 HA VAL A 21 15.456 -6.775 -33.932 1.00 0.00 H new ATOM 0 HB VAL A 21 16.644 -9.252 -32.615 1.00 0.00 H new ATOM 0 HG11 VAL A 21 18.588 -7.922 -31.917 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.509 -8.134 -33.682 1.00 0.00 H new ATOM 0 HG13 VAL A 21 18.037 -6.582 -32.950 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.503 -7.827 -30.550 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.790 -6.517 -31.521 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.908 -8.049 -31.309 1.00 0.00 H new ATOM 332 N GLU A 22 16.809 -9.341 -35.576 1.00 0.00 N ATOM 333 CA GLU A 22 17.675 -9.698 -36.725 1.00 0.00 C ATOM 334 C GLU A 22 17.026 -9.349 -38.077 1.00 0.00 C ATOM 335 O GLU A 22 17.708 -8.867 -38.992 1.00 0.00 O ATOM 336 CB GLU A 22 18.055 -11.206 -36.678 1.00 0.00 C ATOM 337 CG GLU A 22 16.869 -12.178 -36.856 1.00 0.00 C ATOM 338 CD GLU A 22 17.236 -13.666 -36.757 1.00 0.00 C ATOM 339 OE1 GLU A 22 17.278 -14.209 -35.631 1.00 0.00 O ATOM 340 OE2 GLU A 22 17.479 -14.301 -37.806 1.00 0.00 O ATOM 0 H GLU A 22 16.504 -10.146 -35.028 1.00 0.00 H new ATOM 0 HA GLU A 22 18.582 -9.100 -36.638 1.00 0.00 H new ATOM 0 HB2 GLU A 22 18.790 -11.405 -37.458 1.00 0.00 H new ATOM 0 HB3 GLU A 22 18.538 -11.415 -35.723 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.116 -11.953 -36.101 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.410 -11.995 -37.828 1.00 0.00 H new ATOM 347 N GLN A 23 15.701 -9.573 -38.182 1.00 0.00 N ATOM 348 CA GLN A 23 14.965 -9.383 -39.443 1.00 0.00 C ATOM 349 C GLN A 23 14.674 -7.896 -39.701 1.00 0.00 C ATOM 350 O GLN A 23 14.725 -7.443 -40.850 1.00 0.00 O ATOM 351 CB GLN A 23 13.646 -10.208 -39.438 1.00 0.00 C ATOM 352 CG GLN A 23 13.837 -11.740 -39.292 1.00 0.00 C ATOM 353 CD GLN A 23 14.746 -12.380 -40.350 1.00 0.00 C ATOM 354 OE1 GLN A 23 14.827 -11.919 -41.492 1.00 0.00 O ATOM 355 NE2 GLN A 23 15.421 -13.461 -39.982 1.00 0.00 N ATOM 0 H GLN A 23 15.119 -9.887 -37.405 1.00 0.00 H new ATOM 0 HA GLN A 23 15.596 -9.745 -40.255 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.017 -9.855 -38.621 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.107 -10.010 -40.364 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.250 -11.948 -38.305 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.859 -12.219 -39.336 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.333 -13.818 -39.031 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.028 -13.935 -40.651 1.00 0.00 H new ATOM 364 N TYR A 24 14.375 -7.129 -38.632 1.00 0.00 N ATOM 365 CA TYR A 24 13.945 -5.720 -38.760 1.00 0.00 C ATOM 366 C TYR A 24 15.092 -4.720 -38.471 1.00 0.00 C ATOM 367 O TYR A 24 14.891 -3.515 -38.628 1.00 0.00 O ATOM 368 CB TYR A 24 12.726 -5.435 -37.837 1.00 0.00 C ATOM 369 CG TYR A 24 11.440 -6.199 -38.207 1.00 0.00 C ATOM 370 CD1 TYR A 24 11.304 -7.553 -37.920 1.00 0.00 C ATOM 371 CD2 TYR A 24 10.360 -5.561 -38.824 1.00 0.00 C ATOM 372 CE1 TYR A 24 10.151 -8.251 -38.232 1.00 0.00 C ATOM 373 CE2 TYR A 24 9.200 -6.249 -39.135 1.00 0.00 C ATOM 374 CZ TYR A 24 9.099 -7.592 -38.837 1.00 0.00 C ATOM 375 OH TYR A 24 7.936 -8.276 -39.136 1.00 0.00 O ATOM 0 H TYR A 24 14.423 -7.462 -37.669 1.00 0.00 H new ATOM 0 HA TYR A 24 13.648 -5.571 -39.798 1.00 0.00 H new ATOM 0 HB2 TYR A 24 12.998 -5.686 -36.812 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.515 -4.366 -37.858 1.00 0.00 H new ATOM 0 HD1 TYR A 24 12.120 -8.073 -37.441 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.432 -4.510 -39.063 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.074 -9.304 -38.004 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.377 -5.736 -39.609 1.00 0.00 H new ATOM 0 HH TYR A 24 7.296 -7.665 -39.558 1.00 0.00 H new ATOM 385 N LEU A 25 16.285 -5.201 -38.046 1.00 0.00 N ATOM 386 CA LEU A 25 17.433 -4.304 -37.729 1.00 0.00 C ATOM 387 C LEU A 25 17.904 -3.536 -38.974 1.00 0.00 C ATOM 388 O LEU A 25 18.329 -4.141 -39.963 1.00 0.00 O ATOM 389 CB LEU A 25 18.628 -5.076 -37.058 1.00 0.00 C ATOM 390 CG LEU A 25 18.842 -4.776 -35.538 1.00 0.00 C ATOM 391 CD1 LEU A 25 20.045 -5.543 -34.976 1.00 0.00 C ATOM 392 CD2 LEU A 25 18.981 -3.264 -35.275 1.00 0.00 C ATOM 0 H LEU A 25 16.481 -6.193 -37.914 1.00 0.00 H new ATOM 0 HA LEU A 25 17.071 -3.579 -37.000 1.00 0.00 H new ATOM 0 HB2 LEU A 25 18.464 -6.146 -37.181 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.545 -4.831 -37.593 1.00 0.00 H new ATOM 0 HG LEU A 25 17.952 -5.125 -35.014 1.00 0.00 H new ATOM 0 HD11 LEU A 25 20.163 -5.310 -33.918 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.882 -6.614 -35.096 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.947 -5.251 -35.515 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.128 -3.092 -34.209 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.837 -2.876 -35.827 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.076 -2.753 -35.603 1.00 0.00 H new ATOM 404 N GLY A 26 17.792 -2.198 -38.908 1.00 0.00 N ATOM 405 CA GLY A 26 18.194 -1.299 -39.995 1.00 0.00 C ATOM 406 C GLY A 26 17.011 -0.581 -40.626 1.00 0.00 C ATOM 407 O GLY A 26 17.194 0.427 -41.321 1.00 0.00 O ATOM 0 H GLY A 26 17.418 -1.711 -38.094 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.899 -0.562 -39.610 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.718 -1.872 -40.761 1.00 0.00 H new ATOM 411 N THR A 27 15.790 -1.102 -40.389 1.00 0.00 N ATOM 412 CA THR A 27 14.545 -0.480 -40.878 1.00 0.00 C ATOM 413 C THR A 27 14.098 0.641 -39.910 1.00 0.00 C ATOM 414 O THR A 27 14.799 0.956 -38.940 1.00 0.00 O ATOM 415 CB THR A 27 13.395 -1.543 -41.031 1.00 0.00 C ATOM 416 OG1 THR A 27 12.943 -1.989 -39.743 1.00 0.00 O ATOM 417 CG2 THR A 27 13.832 -2.770 -41.858 1.00 0.00 C ATOM 0 H THR A 27 15.641 -1.959 -39.857 1.00 0.00 H new ATOM 0 HA THR A 27 14.746 -0.054 -41.861 1.00 0.00 H new ATOM 0 HB THR A 27 12.584 -1.044 -41.562 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.568 -2.656 -39.390 1.00 0.00 H new ATOM 0 HG21 THR A 27 13.002 -3.472 -41.933 1.00 0.00 H new ATOM 0 HG22 THR A 27 14.127 -2.449 -42.857 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.676 -3.257 -41.369 1.00 0.00 H new ATOM 425 N ASP A 28 12.937 1.253 -40.183 1.00 0.00 N ATOM 426 CA ASP A 28 12.306 2.214 -39.255 1.00 0.00 C ATOM 427 C ASP A 28 11.349 1.483 -38.283 1.00 0.00 C ATOM 428 O ASP A 28 10.773 2.107 -37.391 1.00 0.00 O ATOM 429 CB ASP A 28 11.560 3.317 -40.044 1.00 0.00 C ATOM 430 CG ASP A 28 12.500 4.184 -40.902 1.00 0.00 C ATOM 431 OD1 ASP A 28 13.168 5.085 -40.347 1.00 0.00 O ATOM 432 OD2 ASP A 28 12.582 3.967 -42.131 1.00 0.00 O ATOM 0 H ASP A 28 12.410 1.101 -41.043 1.00 0.00 H new ATOM 0 HA ASP A 28 13.088 2.690 -38.663 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.814 2.853 -40.689 1.00 0.00 H new ATOM 0 HB3 ASP A 28 11.023 3.957 -39.344 1.00 0.00 H new ATOM 437 N GLU A 29 11.176 0.162 -38.485 1.00 0.00 N ATOM 438 CA GLU A 29 10.414 -0.709 -37.565 1.00 0.00 C ATOM 439 C GLU A 29 11.289 -1.078 -36.358 1.00 0.00 C ATOM 440 O GLU A 29 10.819 -1.099 -35.214 1.00 0.00 O ATOM 441 CB GLU A 29 9.955 -1.993 -38.294 1.00 0.00 C ATOM 442 CG GLU A 29 9.016 -1.744 -39.487 1.00 0.00 C ATOM 443 CD GLU A 29 7.674 -1.114 -39.067 1.00 0.00 C ATOM 444 OE1 GLU A 29 6.786 -1.857 -38.597 1.00 0.00 O ATOM 445 OE2 GLU A 29 7.496 0.117 -39.214 1.00 0.00 O ATOM 0 H GLU A 29 11.560 -0.332 -39.290 1.00 0.00 H new ATOM 0 HA GLU A 29 9.532 -0.170 -37.220 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.835 -2.531 -38.646 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.450 -2.642 -37.579 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.512 -1.089 -40.203 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.825 -2.688 -39.997 1.00 0.00 H new ATOM 452 N LEU A 30 12.568 -1.385 -36.646 1.00 0.00 N ATOM 453 CA LEU A 30 13.596 -1.616 -35.621 1.00 0.00 C ATOM 454 C LEU A 30 14.868 -0.867 -36.066 1.00 0.00 C ATOM 455 O LEU A 30 15.713 -1.442 -36.764 1.00 0.00 O ATOM 456 CB LEU A 30 13.857 -3.149 -35.411 1.00 0.00 C ATOM 457 CG LEU A 30 14.280 -3.619 -33.985 1.00 0.00 C ATOM 458 CD1 LEU A 30 15.646 -3.053 -33.539 1.00 0.00 C ATOM 459 CD2 LEU A 30 13.181 -3.268 -32.980 1.00 0.00 C ATOM 0 H LEU A 30 12.916 -1.479 -37.600 1.00 0.00 H new ATOM 0 HA LEU A 30 13.265 -1.237 -34.654 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.949 -3.686 -35.686 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.634 -3.457 -36.111 1.00 0.00 H new ATOM 0 HG LEU A 30 14.407 -4.701 -34.023 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.882 -3.418 -32.539 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.419 -3.377 -34.235 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.602 -1.964 -33.527 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.479 -3.598 -31.985 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.025 -2.189 -32.973 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.255 -3.767 -33.265 1.00 0.00 H new ATOM 471 N PRO A 31 14.990 0.453 -35.734 1.00 0.00 N ATOM 472 CA PRO A 31 16.220 1.213 -36.015 1.00 0.00 C ATOM 473 C PRO A 31 17.384 0.733 -35.127 1.00 0.00 C ATOM 474 O PRO A 31 17.174 0.330 -33.969 1.00 0.00 O ATOM 475 CB PRO A 31 15.821 2.686 -35.728 1.00 0.00 C ATOM 476 CG PRO A 31 14.683 2.596 -34.758 1.00 0.00 C ATOM 477 CD PRO A 31 13.947 1.310 -35.088 1.00 0.00 C ATOM 0 HA PRO A 31 16.581 1.083 -37.035 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.656 3.246 -35.307 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.521 3.199 -36.642 1.00 0.00 H new ATOM 0 HG2 PRO A 31 15.047 2.584 -33.731 1.00 0.00 H new ATOM 0 HG3 PRO A 31 14.022 3.458 -34.852 1.00 0.00 H new ATOM 0 HD2 PRO A 31 13.543 0.840 -34.191 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.107 1.491 -35.759 1.00 0.00 H new ATOM 485 N LYS A 32 18.606 0.766 -35.691 1.00 0.00 N ATOM 486 CA LYS A 32 19.832 0.316 -35.011 1.00 0.00 C ATOM 487 C LYS A 32 20.058 1.095 -33.706 1.00 0.00 C ATOM 488 O LYS A 32 20.447 0.507 -32.690 1.00 0.00 O ATOM 489 CB LYS A 32 21.055 0.430 -35.966 1.00 0.00 C ATOM 490 CG LYS A 32 21.067 -0.632 -37.097 1.00 0.00 C ATOM 491 CD LYS A 32 22.426 -0.722 -37.836 1.00 0.00 C ATOM 492 CE LYS A 32 22.764 0.533 -38.649 1.00 0.00 C ATOM 493 NZ LYS A 32 24.065 0.399 -39.357 1.00 0.00 N ATOM 0 H LYS A 32 18.770 1.108 -36.638 1.00 0.00 H new ATOM 0 HA LYS A 32 19.713 -0.734 -34.743 1.00 0.00 H new ATOM 0 HB2 LYS A 32 21.063 1.424 -36.413 1.00 0.00 H new ATOM 0 HB3 LYS A 32 21.970 0.336 -35.382 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.826 -1.607 -36.674 1.00 0.00 H new ATOM 0 HG3 LYS A 32 20.284 -0.395 -37.817 1.00 0.00 H new ATOM 0 HD2 LYS A 32 23.217 -0.896 -37.106 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.412 -1.584 -38.503 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.973 0.720 -39.375 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.799 1.397 -37.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.107 1.084 -40.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 24.843 0.585 -38.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 24.156 -0.565 -39.736 1.00 0.00 H new ATOM 507 N ASN A 33 19.750 2.407 -33.743 1.00 0.00 N ATOM 508 CA ASN A 33 19.821 3.292 -32.562 1.00 0.00 C ATOM 509 C ASN A 33 18.995 2.733 -31.386 1.00 0.00 C ATOM 510 O ASN A 33 19.483 2.677 -30.263 1.00 0.00 O ATOM 511 CB ASN A 33 19.305 4.712 -32.909 1.00 0.00 C ATOM 512 CG ASN A 33 19.316 5.669 -31.699 1.00 0.00 C ATOM 513 OD1 ASN A 33 20.269 6.392 -31.479 1.00 0.00 O ATOM 514 ND2 ASN A 33 18.270 5.634 -30.883 1.00 0.00 N ATOM 0 H ASN A 33 19.445 2.883 -34.592 1.00 0.00 H new ATOM 0 HA ASN A 33 20.868 3.344 -32.264 1.00 0.00 H new ATOM 0 HB2 ASN A 33 19.921 5.133 -33.704 1.00 0.00 H new ATOM 0 HB3 ASN A 33 18.289 4.639 -33.298 1.00 0.00 H new ATOM 0 HD21 ASN A 33 18.253 6.222 -30.050 1.00 0.00 H new ATOM 0 HD22 ASN A 33 17.483 5.019 -31.089 1.00 0.00 H new ATOM 521 N ASP A 34 17.742 2.338 -31.672 1.00 0.00 N ATOM 522 CA ASP A 34 16.756 1.938 -30.638 1.00 0.00 C ATOM 523 C ASP A 34 17.137 0.598 -29.982 1.00 0.00 C ATOM 524 O ASP A 34 16.839 0.364 -28.804 1.00 0.00 O ATOM 525 CB ASP A 34 15.342 1.865 -31.258 1.00 0.00 C ATOM 526 CG ASP A 34 14.213 1.645 -30.233 1.00 0.00 C ATOM 527 OD1 ASP A 34 14.122 2.427 -29.259 1.00 0.00 O ATOM 528 OD2 ASP A 34 13.374 0.750 -30.440 1.00 0.00 O ATOM 0 H ASP A 34 17.379 2.285 -32.624 1.00 0.00 H new ATOM 0 HA ASP A 34 16.759 2.695 -29.853 1.00 0.00 H new ATOM 0 HB2 ASP A 34 15.148 2.789 -31.802 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.319 1.055 -31.987 1.00 0.00 H new ATOM 533 N LEU A 35 17.815 -0.260 -30.759 1.00 0.00 N ATOM 534 CA LEU A 35 18.408 -1.515 -30.256 1.00 0.00 C ATOM 535 C LEU A 35 19.494 -1.169 -29.202 1.00 0.00 C ATOM 536 O LEU A 35 19.473 -1.667 -28.065 1.00 0.00 O ATOM 537 CB LEU A 35 18.994 -2.315 -31.469 1.00 0.00 C ATOM 538 CG LEU A 35 19.328 -3.839 -31.280 1.00 0.00 C ATOM 539 CD1 LEU A 35 20.555 -4.088 -30.387 1.00 0.00 C ATOM 540 CD2 LEU A 35 18.107 -4.611 -30.765 1.00 0.00 C ATOM 0 H LEU A 35 17.969 -0.106 -31.755 1.00 0.00 H new ATOM 0 HA LEU A 35 17.660 -2.141 -29.770 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.285 -2.232 -32.293 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.909 -1.813 -31.784 1.00 0.00 H new ATOM 0 HG LEU A 35 19.590 -4.217 -32.268 1.00 0.00 H new ATOM 0 HD11 LEU A 35 20.729 -5.160 -30.299 1.00 0.00 H new ATOM 0 HD12 LEU A 35 21.430 -3.614 -30.831 1.00 0.00 H new ATOM 0 HD13 LEU A 35 20.376 -3.667 -29.398 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.366 -5.663 -30.643 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.796 -4.201 -29.804 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.290 -4.519 -31.481 1.00 0.00 H new ATOM 552 N ILE A 36 20.419 -0.286 -29.618 1.00 0.00 N ATOM 553 CA ILE A 36 21.509 0.256 -28.766 1.00 0.00 C ATOM 554 C ILE A 36 20.940 0.931 -27.494 1.00 0.00 C ATOM 555 O ILE A 36 21.483 0.763 -26.395 1.00 0.00 O ATOM 556 CB ILE A 36 22.364 1.295 -29.599 1.00 0.00 C ATOM 557 CG1 ILE A 36 22.978 0.602 -30.861 1.00 0.00 C ATOM 558 CG2 ILE A 36 23.476 1.967 -28.748 1.00 0.00 C ATOM 559 CD1 ILE A 36 23.520 1.551 -31.926 1.00 0.00 C ATOM 0 H ILE A 36 20.436 0.081 -30.570 1.00 0.00 H new ATOM 0 HA ILE A 36 22.146 -0.570 -28.450 1.00 0.00 H new ATOM 0 HB ILE A 36 21.688 2.088 -29.918 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.786 -0.055 -30.538 1.00 0.00 H new ATOM 0 HG13 ILE A 36 22.215 -0.030 -31.315 1.00 0.00 H new ATOM 0 HG21 ILE A 36 24.033 2.670 -29.367 1.00 0.00 H new ATOM 0 HG22 ILE A 36 23.023 2.499 -27.912 1.00 0.00 H new ATOM 0 HG23 ILE A 36 24.154 1.203 -28.367 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.923 0.973 -32.758 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.715 2.192 -32.286 1.00 0.00 H new ATOM 0 HD13 ILE A 36 24.310 2.167 -31.496 1.00 0.00 H new ATOM 571 N THR A 37 19.808 1.648 -27.673 1.00 0.00 N ATOM 572 CA THR A 37 19.124 2.384 -26.596 1.00 0.00 C ATOM 573 C THR A 37 18.594 1.398 -25.539 1.00 0.00 C ATOM 574 O THR A 37 18.857 1.569 -24.347 1.00 0.00 O ATOM 575 CB THR A 37 17.957 3.271 -27.154 1.00 0.00 C ATOM 576 OG1 THR A 37 18.486 4.273 -28.038 1.00 0.00 O ATOM 577 CG2 THR A 37 17.142 3.961 -26.040 1.00 0.00 C ATOM 0 H THR A 37 19.343 1.730 -28.577 1.00 0.00 H new ATOM 0 HA THR A 37 19.849 3.052 -26.131 1.00 0.00 H new ATOM 0 HB THR A 37 17.282 2.602 -27.688 1.00 0.00 H new ATOM 0 HG1 THR A 37 18.843 3.843 -28.843 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.349 4.560 -26.487 1.00 0.00 H new ATOM 0 HG22 THR A 37 16.702 3.205 -25.389 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.798 4.606 -25.455 1.00 0.00 H new ATOM 585 N TYR A 38 17.895 0.339 -26.001 1.00 0.00 N ATOM 586 CA TYR A 38 17.370 -0.724 -25.123 1.00 0.00 C ATOM 587 C TYR A 38 18.495 -1.310 -24.259 1.00 0.00 C ATOM 588 O TYR A 38 18.352 -1.441 -23.041 1.00 0.00 O ATOM 589 CB TYR A 38 16.712 -1.850 -25.962 1.00 0.00 C ATOM 590 CG TYR A 38 16.226 -3.065 -25.139 1.00 0.00 C ATOM 591 CD1 TYR A 38 17.067 -4.156 -24.883 1.00 0.00 C ATOM 592 CD2 TYR A 38 14.933 -3.121 -24.622 1.00 0.00 C ATOM 593 CE1 TYR A 38 16.638 -5.244 -24.153 1.00 0.00 C ATOM 594 CE2 TYR A 38 14.499 -4.216 -23.889 1.00 0.00 C ATOM 595 CZ TYR A 38 15.355 -5.271 -23.662 1.00 0.00 C ATOM 596 OH TYR A 38 14.931 -6.357 -22.932 1.00 0.00 O ATOM 0 H TYR A 38 17.681 0.199 -26.988 1.00 0.00 H new ATOM 0 HA TYR A 38 16.615 -0.284 -24.472 1.00 0.00 H new ATOM 0 HB2 TYR A 38 15.864 -1.433 -26.505 1.00 0.00 H new ATOM 0 HB3 TYR A 38 17.428 -2.196 -26.707 1.00 0.00 H new ATOM 0 HD1 TYR A 38 18.076 -4.144 -25.267 1.00 0.00 H new ATOM 0 HD2 TYR A 38 14.257 -2.297 -24.795 1.00 0.00 H new ATOM 0 HE1 TYR A 38 17.307 -6.071 -23.968 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.493 -4.241 -23.497 1.00 0.00 H new ATOM 0 HH TYR A 38 14.000 -6.222 -22.656 1.00 0.00 H new ATOM 606 N LEU A 39 19.616 -1.647 -24.922 1.00 0.00 N ATOM 607 CA LEU A 39 20.751 -2.322 -24.269 1.00 0.00 C ATOM 608 C LEU A 39 21.402 -1.429 -23.197 1.00 0.00 C ATOM 609 O LEU A 39 21.754 -1.913 -22.138 1.00 0.00 O ATOM 610 CB LEU A 39 21.799 -2.801 -25.314 1.00 0.00 C ATOM 611 CG LEU A 39 21.279 -3.835 -26.370 1.00 0.00 C ATOM 612 CD1 LEU A 39 22.401 -4.292 -27.316 1.00 0.00 C ATOM 613 CD2 LEU A 39 20.611 -5.051 -25.701 1.00 0.00 C ATOM 0 H LEU A 39 19.760 -1.461 -25.915 1.00 0.00 H new ATOM 0 HA LEU A 39 20.357 -3.204 -23.763 1.00 0.00 H new ATOM 0 HB2 LEU A 39 22.182 -1.929 -25.844 1.00 0.00 H new ATOM 0 HB3 LEU A 39 22.640 -3.245 -24.781 1.00 0.00 H new ATOM 0 HG LEU A 39 20.523 -3.321 -26.963 1.00 0.00 H new ATOM 0 HD11 LEU A 39 22.002 -5.009 -28.034 1.00 0.00 H new ATOM 0 HD12 LEU A 39 22.802 -3.429 -27.848 1.00 0.00 H new ATOM 0 HD13 LEU A 39 23.196 -4.763 -26.737 1.00 0.00 H new ATOM 0 HD21 LEU A 39 20.264 -5.744 -26.468 1.00 0.00 H new ATOM 0 HD22 LEU A 39 21.333 -5.554 -25.057 1.00 0.00 H new ATOM 0 HD23 LEU A 39 19.763 -4.717 -25.104 1.00 0.00 H new ATOM 625 N GLN A 40 21.535 -0.113 -23.458 1.00 0.00 N ATOM 626 CA GLN A 40 22.130 0.825 -22.468 1.00 0.00 C ATOM 627 C GLN A 40 21.138 1.188 -21.344 1.00 0.00 C ATOM 628 O GLN A 40 21.551 1.675 -20.285 1.00 0.00 O ATOM 629 CB GLN A 40 22.741 2.081 -23.163 1.00 0.00 C ATOM 630 CG GLN A 40 21.762 2.937 -23.995 1.00 0.00 C ATOM 631 CD GLN A 40 22.435 3.791 -25.090 1.00 0.00 C ATOM 632 OE1 GLN A 40 23.508 3.275 -25.694 1.00 0.00 O flip ATOM 633 NE2 GLN A 40 21.960 4.879 -25.427 1.00 0.00 N flip ATOM 0 H GLN A 40 21.245 0.326 -24.332 1.00 0.00 H new ATOM 0 HA GLN A 40 22.956 0.305 -21.983 1.00 0.00 H new ATOM 0 HB2 GLN A 40 23.186 2.715 -22.397 1.00 0.00 H new ATOM 0 HB3 GLN A 40 23.551 1.753 -23.815 1.00 0.00 H new ATOM 0 HG2 GLN A 40 21.030 2.279 -24.463 1.00 0.00 H new ATOM 0 HG3 GLN A 40 21.213 3.597 -23.323 1.00 0.00 H new ATOM 0 HE21 GLN A 40 21.139 5.248 -24.947 1.00 0.00 H new ATOM 0 HE22 GLN A 40 22.388 5.409 -26.186 1.00 0.00 H new ATOM 642 N LYS A 41 19.832 0.960 -21.575 1.00 0.00 N ATOM 643 CA LYS A 41 18.795 1.142 -20.533 1.00 0.00 C ATOM 644 C LYS A 41 18.653 -0.112 -19.635 1.00 0.00 C ATOM 645 O LYS A 41 18.379 0.013 -18.436 1.00 0.00 O ATOM 646 CB LYS A 41 17.426 1.497 -21.171 1.00 0.00 C ATOM 647 CG LYS A 41 17.408 2.853 -21.914 1.00 0.00 C ATOM 648 CD LYS A 41 16.016 3.216 -22.479 1.00 0.00 C ATOM 649 CE LYS A 41 14.974 3.480 -21.377 1.00 0.00 C ATOM 650 NZ LYS A 41 15.312 4.676 -20.565 1.00 0.00 N ATOM 0 H LYS A 41 19.466 0.649 -22.475 1.00 0.00 H new ATOM 0 HA LYS A 41 19.118 1.971 -19.903 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.148 0.708 -21.870 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.666 1.513 -20.389 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.733 3.639 -21.232 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.129 2.822 -22.731 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.104 4.101 -23.109 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.665 2.405 -23.117 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.993 3.616 -21.831 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.906 2.608 -20.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.515 4.907 -19.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.157 4.479 -19.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.502 5.481 -21.195 1.00 0.00 H new ATOM 664 N ASN A 42 18.829 -1.319 -20.214 1.00 0.00 N ATOM 665 CA ASN A 42 18.560 -2.605 -19.500 1.00 0.00 C ATOM 666 C ASN A 42 19.844 -3.258 -18.947 1.00 0.00 C ATOM 667 O ASN A 42 19.768 -4.083 -18.026 1.00 0.00 O ATOM 668 CB ASN A 42 17.803 -3.611 -20.425 1.00 0.00 C ATOM 669 CG ASN A 42 16.361 -3.199 -20.771 1.00 0.00 C ATOM 670 OD1 ASN A 42 16.160 -1.982 -21.255 1.00 0.00 O flip ATOM 671 ND2 ASN A 42 15.433 -4.004 -20.653 1.00 0.00 N flip ATOM 0 H ASN A 42 19.156 -1.439 -21.173 1.00 0.00 H new ATOM 0 HA ASN A 42 17.928 -2.357 -18.648 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.366 -3.728 -21.351 1.00 0.00 H new ATOM 0 HB3 ASN A 42 17.782 -4.587 -19.939 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.611 -4.936 -20.278 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.488 -3.738 -20.931 1.00 0.00 H new ATOM 678 N ALA A 43 21.009 -2.911 -19.521 1.00 0.00 N ATOM 679 CA ALA A 43 22.322 -3.469 -19.098 1.00 0.00 C ATOM 680 C ALA A 43 23.097 -2.476 -18.221 1.00 0.00 C ATOM 681 O ALA A 43 22.626 -1.369 -17.943 1.00 0.00 O ATOM 682 CB ALA A 43 23.168 -3.860 -20.327 1.00 0.00 C ATOM 0 H ALA A 43 21.076 -2.241 -20.287 1.00 0.00 H new ATOM 0 HA ALA A 43 22.123 -4.362 -18.506 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.124 -4.266 -19.996 1.00 0.00 H new ATOM 0 HB2 ALA A 43 22.637 -4.612 -20.910 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.342 -2.979 -20.944 1.00 0.00 H new ATOM 688 N ASP A 44 24.297 -2.909 -17.788 1.00 0.00 N ATOM 689 CA ASP A 44 25.253 -2.080 -17.021 1.00 0.00 C ATOM 690 C ASP A 44 26.350 -1.551 -17.955 1.00 0.00 C ATOM 691 O ASP A 44 26.578 -2.128 -19.021 1.00 0.00 O ATOM 692 CB ASP A 44 25.892 -2.904 -15.878 1.00 0.00 C ATOM 693 CG ASP A 44 24.865 -3.524 -14.923 1.00 0.00 C ATOM 694 OD1 ASP A 44 24.449 -2.850 -13.954 1.00 0.00 O ATOM 695 OD2 ASP A 44 24.459 -4.683 -15.145 1.00 0.00 O ATOM 0 H ASP A 44 24.636 -3.855 -17.962 1.00 0.00 H new ATOM 0 HA ASP A 44 24.712 -1.240 -16.585 1.00 0.00 H new ATOM 0 HB2 ASP A 44 26.501 -3.698 -16.310 1.00 0.00 H new ATOM 0 HB3 ASP A 44 26.564 -2.261 -15.309 1.00 0.00 H new ATOM 700 N ALA A 45 27.056 -0.491 -17.502 1.00 0.00 N ATOM 701 CA ALA A 45 28.051 0.265 -18.314 1.00 0.00 C ATOM 702 C ALA A 45 29.095 -0.637 -19.010 1.00 0.00 C ATOM 703 O ALA A 45 29.485 -0.373 -20.156 1.00 0.00 O ATOM 704 CB ALA A 45 28.750 1.318 -17.438 1.00 0.00 C ATOM 0 H ALA A 45 26.954 -0.128 -16.554 1.00 0.00 H new ATOM 0 HA ALA A 45 27.494 0.754 -19.113 1.00 0.00 H new ATOM 0 HB1 ALA A 45 29.476 1.867 -18.038 1.00 0.00 H new ATOM 0 HB2 ALA A 45 28.009 2.012 -17.041 1.00 0.00 H new ATOM 0 HB3 ALA A 45 29.262 0.823 -16.613 1.00 0.00 H new ATOM 710 N ALA A 46 29.509 -1.708 -18.308 1.00 0.00 N ATOM 711 CA ALA A 46 30.505 -2.686 -18.800 1.00 0.00 C ATOM 712 C ALA A 46 30.079 -3.327 -20.135 1.00 0.00 C ATOM 713 O ALA A 46 30.894 -3.474 -21.057 1.00 0.00 O ATOM 714 CB ALA A 46 30.735 -3.773 -17.739 1.00 0.00 C ATOM 0 H ALA A 46 29.160 -1.923 -17.374 1.00 0.00 H new ATOM 0 HA ALA A 46 31.435 -2.148 -18.982 1.00 0.00 H new ATOM 0 HB1 ALA A 46 31.469 -4.490 -18.106 1.00 0.00 H new ATOM 0 HB2 ALA A 46 31.104 -3.314 -16.822 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.796 -4.287 -17.535 1.00 0.00 H new ATOM 720 N PHE A 47 28.786 -3.675 -20.221 1.00 0.00 N ATOM 721 CA PHE A 47 28.203 -4.367 -21.385 1.00 0.00 C ATOM 722 C PHE A 47 28.284 -3.475 -22.639 1.00 0.00 C ATOM 723 O PHE A 47 28.593 -3.950 -23.735 1.00 0.00 O ATOM 724 CB PHE A 47 26.736 -4.770 -21.074 1.00 0.00 C ATOM 725 CG PHE A 47 26.100 -5.713 -22.098 1.00 0.00 C ATOM 726 CD1 PHE A 47 26.371 -7.082 -22.063 1.00 0.00 C ATOM 727 CD2 PHE A 47 25.237 -5.238 -23.094 1.00 0.00 C ATOM 728 CE1 PHE A 47 25.808 -7.943 -22.991 1.00 0.00 C ATOM 729 CE2 PHE A 47 24.677 -6.099 -24.023 1.00 0.00 C ATOM 730 CZ PHE A 47 24.962 -7.451 -23.968 1.00 0.00 C ATOM 0 H PHE A 47 28.110 -3.484 -19.481 1.00 0.00 H new ATOM 0 HA PHE A 47 28.774 -5.273 -21.587 1.00 0.00 H new ATOM 0 HB2 PHE A 47 26.704 -5.246 -20.094 1.00 0.00 H new ATOM 0 HB3 PHE A 47 26.131 -3.865 -21.009 1.00 0.00 H new ATOM 0 HD1 PHE A 47 27.029 -7.475 -21.302 1.00 0.00 H new ATOM 0 HD2 PHE A 47 25.005 -4.184 -23.138 1.00 0.00 H new ATOM 0 HE1 PHE A 47 26.030 -8.999 -22.951 1.00 0.00 H new ATOM 0 HE2 PHE A 47 24.019 -5.715 -24.789 1.00 0.00 H new ATOM 0 HZ PHE A 47 24.523 -8.124 -24.690 1.00 0.00 H new ATOM 740 N LEU A 48 28.042 -2.168 -22.457 1.00 0.00 N ATOM 741 CA LEU A 48 28.055 -1.202 -23.568 1.00 0.00 C ATOM 742 C LEU A 48 29.493 -0.876 -23.986 1.00 0.00 C ATOM 743 O LEU A 48 29.765 -0.658 -25.158 1.00 0.00 O ATOM 744 CB LEU A 48 27.281 0.094 -23.206 1.00 0.00 C ATOM 745 CG LEU A 48 25.769 -0.072 -22.830 1.00 0.00 C ATOM 746 CD1 LEU A 48 25.055 -1.106 -23.722 1.00 0.00 C ATOM 747 CD2 LEU A 48 25.574 -0.396 -21.345 1.00 0.00 C ATOM 0 H LEU A 48 27.834 -1.754 -21.548 1.00 0.00 H new ATOM 0 HA LEU A 48 27.546 -1.665 -24.413 1.00 0.00 H new ATOM 0 HB2 LEU A 48 27.790 0.572 -22.368 1.00 0.00 H new ATOM 0 HB3 LEU A 48 27.348 0.778 -24.052 1.00 0.00 H new ATOM 0 HG LEU A 48 25.303 0.895 -23.017 1.00 0.00 H new ATOM 0 HD11 LEU A 48 24.010 -1.185 -23.422 1.00 0.00 H new ATOM 0 HD12 LEU A 48 25.111 -0.789 -24.763 1.00 0.00 H new ATOM 0 HD13 LEU A 48 25.538 -2.077 -23.612 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.510 -0.502 -21.132 1.00 0.00 H new ATOM 0 HD22 LEU A 48 26.086 -1.328 -21.106 1.00 0.00 H new ATOM 0 HD23 LEU A 48 25.987 0.411 -20.739 1.00 0.00 H new ATOM 759 N ARG A 49 30.411 -0.854 -23.018 1.00 0.00 N ATOM 760 CA ARG A 49 31.848 -0.639 -23.301 1.00 0.00 C ATOM 761 C ARG A 49 32.465 -1.867 -24.002 1.00 0.00 C ATOM 762 O ARG A 49 33.490 -1.750 -24.680 1.00 0.00 O ATOM 763 CB ARG A 49 32.604 -0.282 -21.999 1.00 0.00 C ATOM 764 CG ARG A 49 32.190 1.082 -21.401 1.00 0.00 C ATOM 765 CD ARG A 49 32.983 1.472 -20.142 1.00 0.00 C ATOM 766 NE ARG A 49 34.416 1.707 -20.444 1.00 0.00 N ATOM 767 CZ ARG A 49 35.435 1.510 -19.593 1.00 0.00 C ATOM 768 NH1 ARG A 49 35.232 0.982 -18.397 1.00 0.00 N ATOM 769 NH2 ARG A 49 36.666 1.815 -19.971 1.00 0.00 N ATOM 0 H ARG A 49 30.194 -0.981 -22.029 1.00 0.00 H new ATOM 0 HA ARG A 49 31.945 0.203 -23.986 1.00 0.00 H new ATOM 0 HB2 ARG A 49 32.427 -1.063 -21.259 1.00 0.00 H new ATOM 0 HB3 ARG A 49 33.675 -0.271 -22.201 1.00 0.00 H new ATOM 0 HG2 ARG A 49 32.323 1.856 -22.157 1.00 0.00 H new ATOM 0 HG3 ARG A 49 31.128 1.054 -21.157 1.00 0.00 H new ATOM 0 HD2 ARG A 49 32.551 2.372 -19.705 1.00 0.00 H new ATOM 0 HD3 ARG A 49 32.894 0.682 -19.397 1.00 0.00 H new ATOM 0 HE ARG A 49 34.647 2.047 -21.378 1.00 0.00 H new ATOM 0 HH11 ARG A 49 34.290 0.718 -18.109 1.00 0.00 H new ATOM 0 HH12 ARG A 49 36.018 0.839 -17.763 1.00 0.00 H new ATOM 0 HH21 ARG A 49 36.834 2.196 -20.902 1.00 0.00 H new ATOM 0 HH22 ARG A 49 37.447 1.669 -19.331 1.00 0.00 H new ATOM 783 N HIS A 50 31.818 -3.038 -23.831 1.00 0.00 N ATOM 784 CA HIS A 50 32.181 -4.282 -24.532 1.00 0.00 C ATOM 785 C HIS A 50 31.739 -4.203 -26.011 1.00 0.00 C ATOM 786 O HIS A 50 32.563 -4.291 -26.925 1.00 0.00 O ATOM 787 CB HIS A 50 31.531 -5.495 -23.809 1.00 0.00 C ATOM 788 CG HIS A 50 31.908 -6.855 -24.346 1.00 0.00 C ATOM 789 ND1 HIS A 50 32.972 -7.588 -23.863 1.00 0.00 N ATOM 790 CD2 HIS A 50 31.340 -7.624 -25.308 1.00 0.00 C ATOM 791 CE1 HIS A 50 33.031 -8.746 -24.492 1.00 0.00 C ATOM 792 NE2 HIS A 50 32.053 -8.795 -25.375 1.00 0.00 N ATOM 0 H HIS A 50 31.025 -3.145 -23.199 1.00 0.00 H new ATOM 0 HA HIS A 50 33.263 -4.413 -24.514 1.00 0.00 H new ATOM 0 HB2 HIS A 50 31.801 -5.453 -22.754 1.00 0.00 H new ATOM 0 HB3 HIS A 50 30.447 -5.390 -23.865 1.00 0.00 H new ATOM 0 HD2 HIS A 50 30.483 -7.363 -25.911 1.00 0.00 H new ATOM 0 HE1 HIS A 50 33.759 -9.524 -24.314 1.00 0.00 H new ATOM 0 HE2 HIS A 50 31.858 -9.574 -26.004 1.00 0.00 H new ATOM 801 N TRP A 51 30.428 -3.990 -26.226 1.00 0.00 N ATOM 802 CA TRP A 51 29.805 -4.020 -27.574 1.00 0.00 C ATOM 803 C TRP A 51 29.897 -2.665 -28.309 1.00 0.00 C ATOM 804 O TRP A 51 29.259 -2.492 -29.354 1.00 0.00 O ATOM 805 CB TRP A 51 28.327 -4.481 -27.451 1.00 0.00 C ATOM 806 CG TRP A 51 28.183 -5.889 -26.934 1.00 0.00 C ATOM 807 CD1 TRP A 51 27.894 -6.281 -25.662 1.00 0.00 C ATOM 808 CD2 TRP A 51 28.348 -7.091 -27.691 1.00 0.00 C ATOM 809 NE1 TRP A 51 27.858 -7.644 -25.587 1.00 0.00 N ATOM 810 CE2 TRP A 51 28.134 -8.162 -26.819 1.00 0.00 C ATOM 811 CE3 TRP A 51 28.647 -7.359 -29.024 1.00 0.00 C ATOM 812 CZ2 TRP A 51 28.215 -9.481 -27.234 1.00 0.00 C ATOM 813 CZ3 TRP A 51 28.727 -8.672 -29.438 1.00 0.00 C ATOM 814 CH2 TRP A 51 28.510 -9.720 -28.544 1.00 0.00 C ATOM 0 H TRP A 51 29.766 -3.792 -25.475 1.00 0.00 H new ATOM 0 HA TRP A 51 30.365 -4.732 -28.180 1.00 0.00 H new ATOM 0 HB2 TRP A 51 27.796 -3.801 -26.785 1.00 0.00 H new ATOM 0 HB3 TRP A 51 27.849 -4.409 -28.428 1.00 0.00 H new ATOM 0 HD1 TRP A 51 27.719 -5.611 -24.833 1.00 0.00 H new ATOM 0 HE1 TRP A 51 27.657 -8.187 -24.747 1.00 0.00 H new ATOM 0 HE3 TRP A 51 28.814 -6.552 -29.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 28.050 -10.294 -26.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 28.961 -8.892 -30.469 1.00 0.00 H new ATOM 0 HH2 TRP A 51 28.577 -10.739 -28.895 1.00 0.00 H new ATOM 825 N LYS A 52 30.687 -1.719 -27.744 1.00 0.00 N ATOM 826 CA LYS A 52 31.006 -0.398 -28.361 1.00 0.00 C ATOM 827 C LYS A 52 29.772 0.541 -28.386 1.00 0.00 C ATOM 828 O LYS A 52 29.745 1.535 -29.115 1.00 0.00 O ATOM 829 CB LYS A 52 31.617 -0.577 -29.797 1.00 0.00 C ATOM 830 CG LYS A 52 32.882 -1.490 -29.892 1.00 0.00 C ATOM 831 CD LYS A 52 34.224 -0.798 -29.504 1.00 0.00 C ATOM 832 CE LYS A 52 34.417 -0.556 -27.992 1.00 0.00 C ATOM 833 NZ LYS A 52 35.704 0.121 -27.702 1.00 0.00 N ATOM 0 H LYS A 52 31.129 -1.850 -26.834 1.00 0.00 H new ATOM 0 HA LYS A 52 31.759 0.080 -27.734 1.00 0.00 H new ATOM 0 HB2 LYS A 52 30.847 -0.987 -30.450 1.00 0.00 H new ATOM 0 HB3 LYS A 52 31.874 0.408 -30.187 1.00 0.00 H new ATOM 0 HG2 LYS A 52 32.737 -2.355 -29.245 1.00 0.00 H new ATOM 0 HG3 LYS A 52 32.965 -1.865 -30.912 1.00 0.00 H new ATOM 0 HD2 LYS A 52 35.050 -1.410 -29.868 1.00 0.00 H new ATOM 0 HD3 LYS A 52 34.285 0.160 -30.021 1.00 0.00 H new ATOM 0 HE2 LYS A 52 33.594 0.050 -27.613 1.00 0.00 H new ATOM 0 HE3 LYS A 52 34.381 -1.509 -27.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 35.797 0.266 -26.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 36.491 -0.469 -28.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 35.729 1.042 -28.185 1.00 0.00 H new ATOM 847 N LEU A 53 28.782 0.233 -27.520 1.00 0.00 N ATOM 848 CA LEU A 53 27.514 0.983 -27.398 1.00 0.00 C ATOM 849 C LEU A 53 27.617 2.126 -26.354 1.00 0.00 C ATOM 850 O LEU A 53 26.618 2.792 -26.057 1.00 0.00 O ATOM 851 CB LEU A 53 26.380 0.008 -26.992 1.00 0.00 C ATOM 852 CG LEU A 53 26.315 -1.339 -27.768 1.00 0.00 C ATOM 853 CD1 LEU A 53 25.209 -2.234 -27.214 1.00 0.00 C ATOM 854 CD2 LEU A 53 26.153 -1.129 -29.283 1.00 0.00 C ATOM 0 H LEU A 53 28.843 -0.556 -26.876 1.00 0.00 H new ATOM 0 HA LEU A 53 27.296 1.436 -28.365 1.00 0.00 H new ATOM 0 HB2 LEU A 53 26.484 -0.214 -25.930 1.00 0.00 H new ATOM 0 HB3 LEU A 53 25.427 0.521 -27.118 1.00 0.00 H new ATOM 0 HG LEU A 53 27.270 -1.843 -27.618 1.00 0.00 H new ATOM 0 HD11 LEU A 53 25.184 -3.169 -27.773 1.00 0.00 H new ATOM 0 HD12 LEU A 53 25.404 -2.445 -26.162 1.00 0.00 H new ATOM 0 HD13 LEU A 53 24.249 -1.728 -27.311 1.00 0.00 H new ATOM 0 HD21 LEU A 53 26.112 -2.097 -29.782 1.00 0.00 H new ATOM 0 HD22 LEU A 53 25.231 -0.581 -29.478 1.00 0.00 H new ATOM 0 HD23 LEU A 53 27.001 -0.560 -29.664 1.00 0.00 H new ATOM 866 N THR A 54 28.825 2.326 -25.789 1.00 0.00 N ATOM 867 CA THR A 54 29.072 3.338 -24.746 1.00 0.00 C ATOM 868 C THR A 54 29.204 4.779 -25.305 1.00 0.00 C ATOM 869 O THR A 54 29.028 5.753 -24.556 1.00 0.00 O ATOM 870 CB THR A 54 30.356 2.957 -23.940 1.00 0.00 C ATOM 871 OG1 THR A 54 30.519 3.825 -22.807 1.00 0.00 O ATOM 872 CG2 THR A 54 31.633 2.983 -24.803 1.00 0.00 C ATOM 0 H THR A 54 29.655 1.790 -26.044 1.00 0.00 H new ATOM 0 HA THR A 54 28.199 3.340 -24.093 1.00 0.00 H new ATOM 0 HB THR A 54 30.213 1.931 -23.600 1.00 0.00 H new ATOM 0 HG1 THR A 54 31.473 3.922 -22.604 1.00 0.00 H new ATOM 0 HG21 THR A 54 32.492 2.710 -24.190 1.00 0.00 H new ATOM 0 HG22 THR A 54 31.532 2.272 -25.623 1.00 0.00 H new ATOM 0 HG23 THR A 54 31.779 3.985 -25.207 1.00 0.00 H new ATOM 880 N GLY A 55 29.500 4.900 -26.617 1.00 0.00 N ATOM 881 CA GLY A 55 29.788 6.205 -27.244 1.00 0.00 C ATOM 882 C GLY A 55 28.534 6.981 -27.653 1.00 0.00 C ATOM 883 O GLY A 55 27.462 6.809 -27.052 1.00 0.00 O ATOM 0 H GLY A 55 29.545 4.110 -27.261 1.00 0.00 H new ATOM 0 HA2 GLY A 55 30.369 6.811 -26.549 1.00 0.00 H new ATOM 0 HA3 GLY A 55 30.409 6.046 -28.125 1.00 0.00 H new ATOM 887 N THR A 56 28.673 7.860 -28.663 1.00 0.00 N ATOM 888 CA THR A 56 27.531 8.551 -29.291 1.00 0.00 C ATOM 889 C THR A 56 26.826 7.590 -30.266 1.00 0.00 C ATOM 890 O THR A 56 27.466 7.057 -31.182 1.00 0.00 O ATOM 891 CB THR A 56 27.955 9.877 -30.033 1.00 0.00 C ATOM 892 OG1 THR A 56 26.858 10.403 -30.794 1.00 0.00 O ATOM 893 CG2 THR A 56 29.175 9.691 -30.950 1.00 0.00 C ATOM 0 H THR A 56 29.576 8.111 -29.065 1.00 0.00 H new ATOM 0 HA THR A 56 26.845 8.846 -28.497 1.00 0.00 H new ATOM 0 HB THR A 56 28.240 10.584 -29.253 1.00 0.00 H new ATOM 0 HG1 THR A 56 27.138 11.226 -31.246 1.00 0.00 H new ATOM 0 HG21 THR A 56 29.416 10.639 -31.431 1.00 0.00 H new ATOM 0 HG22 THR A 56 30.027 9.357 -30.358 1.00 0.00 H new ATOM 0 HG23 THR A 56 28.947 8.945 -31.712 1.00 0.00 H new ATOM 901 N ASN A 57 25.509 7.373 -30.051 1.00 0.00 N ATOM 902 CA ASN A 57 24.688 6.400 -30.820 1.00 0.00 C ATOM 903 C ASN A 57 24.761 6.624 -32.338 1.00 0.00 C ATOM 904 O ASN A 57 24.589 5.671 -33.101 1.00 0.00 O ATOM 905 CB ASN A 57 23.215 6.399 -30.332 1.00 0.00 C ATOM 906 CG ASN A 57 22.994 5.680 -28.993 1.00 0.00 C ATOM 907 OD1 ASN A 57 23.887 5.620 -28.137 1.00 0.00 O ATOM 908 ND2 ASN A 57 21.799 5.137 -28.795 1.00 0.00 N ATOM 0 H ASN A 57 24.979 7.870 -29.335 1.00 0.00 H new ATOM 0 HA ASN A 57 25.118 5.417 -30.627 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.875 7.430 -30.238 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.593 5.926 -31.092 1.00 0.00 H new ATOM 0 HD21 ASN A 57 21.597 4.654 -27.919 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.083 5.202 -29.518 1.00 0.00 H new ATOM 915 N LYS A 58 25.031 7.881 -32.756 1.00 0.00 N ATOM 916 CA LYS A 58 25.303 8.231 -34.172 1.00 0.00 C ATOM 917 C LYS A 58 26.473 7.390 -34.731 1.00 0.00 C ATOM 918 O LYS A 58 26.306 6.628 -35.698 1.00 0.00 O ATOM 919 CB LYS A 58 25.626 9.764 -34.293 1.00 0.00 C ATOM 920 CG LYS A 58 24.395 10.679 -34.521 1.00 0.00 C ATOM 921 CD LYS A 58 23.483 10.828 -33.282 1.00 0.00 C ATOM 922 CE LYS A 58 24.144 11.608 -32.137 1.00 0.00 C ATOM 923 NZ LYS A 58 23.205 11.837 -31.013 1.00 0.00 N ATOM 0 H LYS A 58 25.067 8.681 -32.124 1.00 0.00 H new ATOM 0 HA LYS A 58 24.413 8.008 -34.761 1.00 0.00 H new ATOM 0 HB2 LYS A 58 26.135 10.085 -33.384 1.00 0.00 H new ATOM 0 HB3 LYS A 58 26.324 9.908 -35.117 1.00 0.00 H new ATOM 0 HG2 LYS A 58 24.741 11.667 -34.825 1.00 0.00 H new ATOM 0 HG3 LYS A 58 23.806 10.279 -35.347 1.00 0.00 H new ATOM 0 HD2 LYS A 58 22.563 11.334 -33.574 1.00 0.00 H new ATOM 0 HD3 LYS A 58 23.202 9.838 -32.924 1.00 0.00 H new ATOM 0 HE2 LYS A 58 25.014 11.058 -31.778 1.00 0.00 H new ATOM 0 HE3 LYS A 58 24.504 12.566 -32.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 23.688 12.367 -30.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 22.387 12.383 -31.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 22.881 10.922 -30.640 1.00 0.00 H new ATOM 937 N SER A 59 27.630 7.477 -34.051 1.00 0.00 N ATOM 938 CA SER A 59 28.860 6.788 -34.466 1.00 0.00 C ATOM 939 C SER A 59 28.762 5.279 -34.224 1.00 0.00 C ATOM 940 O SER A 59 29.378 4.509 -34.949 1.00 0.00 O ATOM 941 CB SER A 59 30.089 7.362 -33.729 1.00 0.00 C ATOM 942 OG SER A 59 30.222 8.750 -33.982 1.00 0.00 O ATOM 0 H SER A 59 27.736 8.027 -33.199 1.00 0.00 H new ATOM 0 HA SER A 59 28.982 6.957 -35.536 1.00 0.00 H new ATOM 0 HB2 SER A 59 29.989 7.191 -32.657 1.00 0.00 H new ATOM 0 HB3 SER A 59 30.990 6.840 -34.053 1.00 0.00 H new ATOM 0 HG SER A 59 31.005 9.096 -33.505 1.00 0.00 H new ATOM 948 N ILE A 60 27.978 4.867 -33.210 1.00 0.00 N ATOM 949 CA ILE A 60 27.837 3.446 -32.859 1.00 0.00 C ATOM 950 C ILE A 60 27.117 2.680 -33.984 1.00 0.00 C ATOM 951 O ILE A 60 27.617 1.669 -34.445 1.00 0.00 O ATOM 952 CB ILE A 60 27.081 3.239 -31.504 1.00 0.00 C ATOM 953 CG1 ILE A 60 27.774 4.023 -30.349 1.00 0.00 C ATOM 954 CG2 ILE A 60 26.994 1.734 -31.155 1.00 0.00 C ATOM 955 CD1 ILE A 60 26.953 4.121 -29.077 1.00 0.00 C ATOM 0 H ILE A 60 27.434 5.499 -32.622 1.00 0.00 H new ATOM 0 HA ILE A 60 28.845 3.049 -32.737 1.00 0.00 H new ATOM 0 HB ILE A 60 26.070 3.630 -31.621 1.00 0.00 H new ATOM 0 HG12 ILE A 60 28.724 3.541 -30.118 1.00 0.00 H new ATOM 0 HG13 ILE A 60 28.004 5.030 -30.697 1.00 0.00 H new ATOM 0 HG21 ILE A 60 26.465 1.610 -30.210 1.00 0.00 H new ATOM 0 HG22 ILE A 60 26.456 1.208 -31.944 1.00 0.00 H new ATOM 0 HG23 ILE A 60 27.999 1.323 -31.065 1.00 0.00 H new ATOM 0 HD11 ILE A 60 27.510 4.682 -28.327 1.00 0.00 H new ATOM 0 HD12 ILE A 60 26.014 4.632 -29.289 1.00 0.00 H new ATOM 0 HD13 ILE A 60 26.744 3.120 -28.700 1.00 0.00 H new ATOM 967 N ARG A 61 25.952 3.180 -34.438 1.00 0.00 N ATOM 968 CA ARG A 61 25.191 2.531 -35.536 1.00 0.00 C ATOM 969 C ARG A 61 25.876 2.751 -36.905 1.00 0.00 C ATOM 970 O ARG A 61 25.693 1.951 -37.827 1.00 0.00 O ATOM 971 CB ARG A 61 23.722 3.028 -35.557 1.00 0.00 C ATOM 972 CG ARG A 61 23.553 4.543 -35.798 1.00 0.00 C ATOM 973 CD ARG A 61 22.115 5.025 -35.542 1.00 0.00 C ATOM 974 NE ARG A 61 22.026 6.497 -35.505 1.00 0.00 N ATOM 975 CZ ARG A 61 21.123 7.240 -36.167 1.00 0.00 C ATOM 976 NH1 ARG A 61 20.241 6.681 -36.989 1.00 0.00 N ATOM 977 NH2 ARG A 61 21.118 8.556 -35.993 1.00 0.00 N ATOM 0 H ARG A 61 25.515 4.024 -34.068 1.00 0.00 H new ATOM 0 HA ARG A 61 25.181 1.458 -35.346 1.00 0.00 H new ATOM 0 HB2 ARG A 61 23.182 2.488 -36.335 1.00 0.00 H new ATOM 0 HB3 ARG A 61 23.253 2.771 -34.607 1.00 0.00 H new ATOM 0 HG2 ARG A 61 24.237 5.089 -35.148 1.00 0.00 H new ATOM 0 HG3 ARG A 61 23.834 4.778 -36.825 1.00 0.00 H new ATOM 0 HD2 ARG A 61 21.459 4.641 -36.323 1.00 0.00 H new ATOM 0 HD3 ARG A 61 21.758 4.616 -34.597 1.00 0.00 H new ATOM 0 HE ARG A 61 22.707 6.992 -34.929 1.00 0.00 H new ATOM 0 HH11 ARG A 61 20.241 5.670 -37.127 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.564 7.263 -37.482 1.00 0.00 H new ATOM 0 HH21 ARG A 61 21.794 8.990 -35.364 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.439 9.133 -36.489 1.00 0.00 H new ATOM 991 N LYS A 62 26.659 3.844 -37.030 1.00 0.00 N ATOM 992 CA LYS A 62 27.466 4.118 -38.242 1.00 0.00 C ATOM 993 C LYS A 62 28.614 3.087 -38.393 1.00 0.00 C ATOM 994 O LYS A 62 28.833 2.539 -39.479 1.00 0.00 O ATOM 995 CB LYS A 62 28.042 5.568 -38.201 1.00 0.00 C ATOM 996 CG LYS A 62 28.885 5.978 -39.435 1.00 0.00 C ATOM 997 CD LYS A 62 28.102 5.840 -40.761 1.00 0.00 C ATOM 998 CE LYS A 62 28.940 6.196 -41.999 1.00 0.00 C ATOM 999 NZ LYS A 62 29.378 7.617 -42.002 1.00 0.00 N ATOM 0 H LYS A 62 26.750 4.555 -36.304 1.00 0.00 H new ATOM 0 HA LYS A 62 26.811 4.026 -39.108 1.00 0.00 H new ATOM 0 HB2 LYS A 62 27.213 6.268 -38.098 1.00 0.00 H new ATOM 0 HB3 LYS A 62 28.659 5.672 -37.309 1.00 0.00 H new ATOM 0 HG2 LYS A 62 29.216 7.010 -39.318 1.00 0.00 H new ATOM 0 HG3 LYS A 62 29.781 5.359 -39.480 1.00 0.00 H new ATOM 0 HD2 LYS A 62 27.741 4.816 -40.857 1.00 0.00 H new ATOM 0 HD3 LYS A 62 27.225 6.486 -40.726 1.00 0.00 H new ATOM 0 HE2 LYS A 62 29.816 5.549 -42.039 1.00 0.00 H new ATOM 0 HE3 LYS A 62 28.356 5.997 -42.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 29.896 7.819 -42.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 28.545 8.237 -41.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 30.000 7.790 -41.187 1.00 0.00 H new ATOM 1013 N ASN A 63 29.317 2.822 -37.280 1.00 0.00 N ATOM 1014 CA ASN A 63 30.500 1.929 -37.254 1.00 0.00 C ATOM 1015 C ASN A 63 30.073 0.458 -37.193 1.00 0.00 C ATOM 1016 O ASN A 63 30.675 -0.411 -37.836 1.00 0.00 O ATOM 1017 CB ASN A 63 31.419 2.265 -36.035 1.00 0.00 C ATOM 1018 CG ASN A 63 32.203 3.588 -36.149 1.00 0.00 C ATOM 1019 OD1 ASN A 63 31.612 4.627 -36.735 1.00 0.00 O flip ATOM 1020 ND2 ASN A 63 33.340 3.681 -35.675 1.00 0.00 N flip ATOM 0 H ASN A 63 29.086 3.218 -36.369 1.00 0.00 H new ATOM 0 HA ASN A 63 31.061 2.092 -38.174 1.00 0.00 H new ATOM 0 HB2 ASN A 63 30.804 2.302 -35.136 1.00 0.00 H new ATOM 0 HB3 ASN A 63 32.130 1.450 -35.901 1.00 0.00 H new ATOM 0 HD21 ASN A 63 33.775 2.873 -35.230 1.00 0.00 H new ATOM 0 HD22 ASN A 63 33.844 4.566 -35.728 1.00 0.00 H new ATOM 1027 N ARG A 64 29.038 0.196 -36.392 1.00 0.00 N ATOM 1028 CA ARG A 64 28.537 -1.155 -36.127 1.00 0.00 C ATOM 1029 C ARG A 64 27.226 -1.362 -36.897 1.00 0.00 C ATOM 1030 O ARG A 64 26.235 -0.666 -36.646 1.00 0.00 O ATOM 1031 CB ARG A 64 28.318 -1.387 -34.594 1.00 0.00 C ATOM 1032 CG ARG A 64 29.496 -0.963 -33.658 1.00 0.00 C ATOM 1033 CD ARG A 64 30.890 -1.449 -34.135 1.00 0.00 C ATOM 1034 NE ARG A 64 30.933 -2.901 -34.424 1.00 0.00 N ATOM 1035 CZ ARG A 64 31.487 -3.469 -35.517 1.00 0.00 C ATOM 1036 NH1 ARG A 64 32.126 -2.736 -36.419 1.00 0.00 N ATOM 1037 NH2 ARG A 64 31.401 -4.776 -35.686 1.00 0.00 N ATOM 0 H ARG A 64 28.518 0.925 -35.903 1.00 0.00 H new ATOM 0 HA ARG A 64 29.278 -1.881 -36.463 1.00 0.00 H new ATOM 0 HB2 ARG A 64 27.425 -0.842 -34.289 1.00 0.00 H new ATOM 0 HB3 ARG A 64 28.116 -2.446 -34.433 1.00 0.00 H new ATOM 0 HG2 ARG A 64 29.510 0.124 -33.579 1.00 0.00 H new ATOM 0 HG3 ARG A 64 29.310 -1.353 -32.658 1.00 0.00 H new ATOM 0 HD2 ARG A 64 31.173 -0.898 -35.032 1.00 0.00 H new ATOM 0 HD3 ARG A 64 31.631 -1.215 -33.370 1.00 0.00 H new ATOM 0 HE ARG A 64 30.508 -3.526 -33.739 1.00 0.00 H new ATOM 0 HH11 ARG A 64 32.205 -1.727 -36.293 1.00 0.00 H new ATOM 0 HH12 ARG A 64 32.539 -3.181 -37.239 1.00 0.00 H new ATOM 0 HH21 ARG A 64 30.919 -5.349 -34.994 1.00 0.00 H new ATOM 0 HH22 ARG A 64 31.817 -5.212 -36.509 1.00 0.00 H new ATOM 1051 N ASN A 65 27.237 -2.311 -37.842 1.00 0.00 N ATOM 1052 CA ASN A 65 26.048 -2.672 -38.638 1.00 0.00 C ATOM 1053 C ASN A 65 25.089 -3.557 -37.814 1.00 0.00 C ATOM 1054 O ASN A 65 25.300 -3.771 -36.609 1.00 0.00 O ATOM 1055 CB ASN A 65 26.476 -3.386 -39.956 1.00 0.00 C ATOM 1056 CG ASN A 65 27.158 -2.447 -40.956 1.00 0.00 C ATOM 1057 OD1 ASN A 65 26.503 -1.805 -41.779 1.00 0.00 O ATOM 1058 ND2 ASN A 65 28.475 -2.359 -40.882 1.00 0.00 N ATOM 0 H ASN A 65 28.068 -2.852 -38.079 1.00 0.00 H new ATOM 0 HA ASN A 65 25.515 -1.759 -38.902 1.00 0.00 H new ATOM 0 HB2 ASN A 65 27.154 -4.204 -39.715 1.00 0.00 H new ATOM 0 HB3 ASN A 65 25.597 -3.828 -40.424 1.00 0.00 H new ATOM 0 HD21 ASN A 65 28.982 -1.744 -41.519 1.00 0.00 H new ATOM 0 HD22 ASN A 65 28.984 -2.906 -40.188 1.00 0.00 H new ATOM 1065 N CYS A 66 24.027 -4.046 -38.488 1.00 0.00 N ATOM 1066 CA CYS A 66 22.996 -4.919 -37.891 1.00 0.00 C ATOM 1067 C CYS A 66 23.615 -6.100 -37.129 1.00 0.00 C ATOM 1068 O CYS A 66 23.289 -6.315 -35.972 1.00 0.00 O ATOM 1069 CB CYS A 66 22.072 -5.452 -39.003 1.00 0.00 C ATOM 1070 SG CYS A 66 22.961 -6.319 -40.326 1.00 0.00 S ATOM 0 H CYS A 66 23.860 -3.843 -39.474 1.00 0.00 H new ATOM 0 HA CYS A 66 22.427 -4.324 -37.176 1.00 0.00 H new ATOM 0 HB2 CYS A 66 21.340 -6.129 -38.563 1.00 0.00 H new ATOM 0 HB3 CYS A 66 21.517 -4.619 -39.434 1.00 0.00 H new ATOM 0 HG CYS A 66 22.112 -6.737 -41.218 1.00 0.00 H new ATOM 1076 N SER A 67 24.556 -6.792 -37.794 1.00 0.00 N ATOM 1077 CA SER A 67 25.171 -8.052 -37.323 1.00 0.00 C ATOM 1078 C SER A 67 25.766 -7.942 -35.904 1.00 0.00 C ATOM 1079 O SER A 67 25.604 -8.859 -35.086 1.00 0.00 O ATOM 1080 CB SER A 67 26.261 -8.482 -38.324 1.00 0.00 C ATOM 1081 OG SER A 67 25.737 -8.563 -39.644 1.00 0.00 O ATOM 0 H SER A 67 24.921 -6.486 -38.696 1.00 0.00 H new ATOM 0 HA SER A 67 24.382 -8.802 -37.267 1.00 0.00 H new ATOM 0 HB2 SER A 67 27.085 -7.769 -38.299 1.00 0.00 H new ATOM 0 HB3 SER A 67 26.668 -9.450 -38.030 1.00 0.00 H new ATOM 0 HG SER A 67 26.447 -8.836 -40.262 1.00 0.00 H new ATOM 1087 N GLN A 68 26.440 -6.806 -35.630 1.00 0.00 N ATOM 1088 CA GLN A 68 27.028 -6.523 -34.304 1.00 0.00 C ATOM 1089 C GLN A 68 25.928 -6.458 -33.233 1.00 0.00 C ATOM 1090 O GLN A 68 26.041 -7.069 -32.166 1.00 0.00 O ATOM 1091 CB GLN A 68 27.812 -5.179 -34.315 1.00 0.00 C ATOM 1092 CG GLN A 68 28.471 -4.815 -32.964 1.00 0.00 C ATOM 1093 CD GLN A 68 29.638 -5.737 -32.609 1.00 0.00 C ATOM 1094 OE1 GLN A 68 30.788 -5.449 -32.925 1.00 0.00 O ATOM 1095 NE2 GLN A 68 29.349 -6.860 -31.981 1.00 0.00 N ATOM 0 H GLN A 68 26.591 -6.065 -36.315 1.00 0.00 H new ATOM 0 HA GLN A 68 27.719 -7.333 -34.069 1.00 0.00 H new ATOM 0 HB2 GLN A 68 28.586 -5.230 -35.081 1.00 0.00 H new ATOM 0 HB3 GLN A 68 27.131 -4.377 -34.602 1.00 0.00 H new ATOM 0 HG2 GLN A 68 28.826 -3.785 -33.003 1.00 0.00 H new ATOM 0 HG3 GLN A 68 27.722 -4.864 -32.174 1.00 0.00 H new ATOM 0 HE21 GLN A 68 28.383 -7.071 -31.732 1.00 0.00 H new ATOM 0 HE22 GLN A 68 30.092 -7.518 -31.744 1.00 0.00 H new ATOM 1104 N LEU A 69 24.863 -5.720 -33.568 1.00 0.00 N ATOM 1105 CA LEU A 69 23.763 -5.401 -32.653 1.00 0.00 C ATOM 1106 C LEU A 69 22.821 -6.605 -32.460 1.00 0.00 C ATOM 1107 O LEU A 69 22.166 -6.719 -31.417 1.00 0.00 O ATOM 1108 CB LEU A 69 23.013 -4.158 -33.193 1.00 0.00 C ATOM 1109 CG LEU A 69 23.920 -2.923 -33.504 1.00 0.00 C ATOM 1110 CD1 LEU A 69 23.101 -1.757 -34.057 1.00 0.00 C ATOM 1111 CD2 LEU A 69 24.735 -2.489 -32.269 1.00 0.00 C ATOM 0 H LEU A 69 24.740 -5.321 -34.499 1.00 0.00 H new ATOM 0 HA LEU A 69 24.165 -5.172 -31.666 1.00 0.00 H new ATOM 0 HB2 LEU A 69 22.483 -4.439 -34.103 1.00 0.00 H new ATOM 0 HB3 LEU A 69 22.259 -3.862 -32.464 1.00 0.00 H new ATOM 0 HG LEU A 69 24.628 -3.230 -34.273 1.00 0.00 H new ATOM 0 HD11 LEU A 69 23.761 -0.914 -34.263 1.00 0.00 H new ATOM 0 HD12 LEU A 69 22.607 -2.064 -34.979 1.00 0.00 H new ATOM 0 HD13 LEU A 69 22.351 -1.460 -33.324 1.00 0.00 H new ATOM 0 HD21 LEU A 69 25.353 -1.628 -32.525 1.00 0.00 H new ATOM 0 HD22 LEU A 69 24.055 -2.220 -31.461 1.00 0.00 H new ATOM 0 HD23 LEU A 69 25.374 -3.311 -31.947 1.00 0.00 H new ATOM 1123 N ILE A 70 22.769 -7.511 -33.465 1.00 0.00 N ATOM 1124 CA ILE A 70 22.049 -8.789 -33.344 1.00 0.00 C ATOM 1125 C ILE A 70 22.788 -9.630 -32.299 1.00 0.00 C ATOM 1126 O ILE A 70 22.195 -10.053 -31.323 1.00 0.00 O ATOM 1127 CB ILE A 70 21.967 -9.596 -34.704 1.00 0.00 C ATOM 1128 CG1 ILE A 70 21.279 -8.754 -35.822 1.00 0.00 C ATOM 1129 CG2 ILE A 70 21.225 -10.949 -34.505 1.00 0.00 C ATOM 1130 CD1 ILE A 70 21.399 -9.325 -37.230 1.00 0.00 C ATOM 0 H ILE A 70 23.221 -7.374 -34.369 1.00 0.00 H new ATOM 0 HA ILE A 70 21.020 -8.576 -33.055 1.00 0.00 H new ATOM 0 HB ILE A 70 22.988 -9.808 -35.022 1.00 0.00 H new ATOM 0 HG12 ILE A 70 20.222 -8.650 -35.578 1.00 0.00 H new ATOM 0 HG13 ILE A 70 21.707 -7.752 -35.816 1.00 0.00 H new ATOM 0 HG21 ILE A 70 21.182 -11.484 -35.454 1.00 0.00 H new ATOM 0 HG22 ILE A 70 21.760 -11.553 -33.772 1.00 0.00 H new ATOM 0 HG23 ILE A 70 20.212 -10.760 -34.149 1.00 0.00 H new ATOM 0 HD11 ILE A 70 20.889 -8.668 -37.934 1.00 0.00 H new ATOM 0 HD12 ILE A 70 22.451 -9.402 -37.503 1.00 0.00 H new ATOM 0 HD13 ILE A 70 20.943 -10.314 -37.262 1.00 0.00 H new ATOM 1142 N ALA A 71 24.112 -9.789 -32.505 1.00 0.00 N ATOM 1143 CA ALA A 71 24.998 -10.559 -31.608 1.00 0.00 C ATOM 1144 C ALA A 71 25.024 -9.974 -30.182 1.00 0.00 C ATOM 1145 O ALA A 71 25.210 -10.708 -29.212 1.00 0.00 O ATOM 1146 CB ALA A 71 26.418 -10.618 -32.198 1.00 0.00 C ATOM 0 H ALA A 71 24.599 -9.384 -33.304 1.00 0.00 H new ATOM 0 HA ALA A 71 24.599 -11.571 -31.531 1.00 0.00 H new ATOM 0 HB1 ALA A 71 27.066 -11.187 -31.531 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.387 -11.102 -33.174 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.809 -9.606 -32.307 1.00 0.00 H new ATOM 1152 N ALA A 72 24.828 -8.650 -30.076 1.00 0.00 N ATOM 1153 CA ALA A 72 24.778 -7.939 -28.784 1.00 0.00 C ATOM 1154 C ALA A 72 23.493 -8.293 -28.009 1.00 0.00 C ATOM 1155 O ALA A 72 23.553 -8.693 -26.839 1.00 0.00 O ATOM 1156 CB ALA A 72 24.882 -6.423 -29.010 1.00 0.00 C ATOM 0 H ALA A 72 24.699 -8.040 -30.883 1.00 0.00 H new ATOM 0 HA ALA A 72 25.627 -8.259 -28.180 1.00 0.00 H new ATOM 0 HB1 ALA A 72 24.844 -5.909 -28.050 1.00 0.00 H new ATOM 0 HB2 ALA A 72 25.824 -6.193 -29.508 1.00 0.00 H new ATOM 0 HB3 ALA A 72 24.052 -6.090 -29.633 1.00 0.00 H new ATOM 1162 N TYR A 73 22.336 -8.166 -28.699 1.00 0.00 N ATOM 1163 CA TYR A 73 21.004 -8.452 -28.119 1.00 0.00 C ATOM 1164 C TYR A 73 20.877 -9.952 -27.779 1.00 0.00 C ATOM 1165 O TYR A 73 20.282 -10.316 -26.762 1.00 0.00 O ATOM 1166 CB TYR A 73 19.884 -8.014 -29.102 1.00 0.00 C ATOM 1167 CG TYR A 73 18.464 -8.015 -28.503 1.00 0.00 C ATOM 1168 CD1 TYR A 73 17.977 -6.901 -27.815 1.00 0.00 C ATOM 1169 CD2 TYR A 73 17.610 -9.121 -28.619 1.00 0.00 C ATOM 1170 CE1 TYR A 73 16.708 -6.889 -27.273 1.00 0.00 C ATOM 1171 CE2 TYR A 73 16.334 -9.110 -28.076 1.00 0.00 C ATOM 1172 CZ TYR A 73 15.890 -7.989 -27.402 1.00 0.00 C ATOM 1173 OH TYR A 73 14.623 -7.964 -26.858 1.00 0.00 O ATOM 0 H TYR A 73 22.300 -7.863 -29.672 1.00 0.00 H new ATOM 0 HA TYR A 73 20.894 -7.882 -27.196 1.00 0.00 H new ATOM 0 HB2 TYR A 73 20.110 -7.011 -29.465 1.00 0.00 H new ATOM 0 HB3 TYR A 73 19.899 -8.677 -29.967 1.00 0.00 H new ATOM 0 HD1 TYR A 73 18.607 -6.031 -27.705 1.00 0.00 H new ATOM 0 HD2 TYR A 73 17.953 -10.001 -29.143 1.00 0.00 H new ATOM 0 HE1 TYR A 73 16.356 -6.015 -26.746 1.00 0.00 H new ATOM 0 HE2 TYR A 73 15.692 -9.972 -28.179 1.00 0.00 H new ATOM 0 HH TYR A 73 14.145 -8.783 -27.105 1.00 0.00 H new ATOM 1183 N LYS A 74 21.464 -10.801 -28.647 1.00 0.00 N ATOM 1184 CA LYS A 74 21.509 -12.262 -28.461 1.00 0.00 C ATOM 1185 C LYS A 74 22.256 -12.587 -27.178 1.00 0.00 C ATOM 1186 O LYS A 74 21.676 -13.124 -26.248 1.00 0.00 O ATOM 1187 CB LYS A 74 22.212 -12.957 -29.663 1.00 0.00 C ATOM 1188 CG LYS A 74 21.367 -13.032 -30.944 1.00 0.00 C ATOM 1189 CD LYS A 74 22.165 -13.549 -32.160 1.00 0.00 C ATOM 1190 CE LYS A 74 22.751 -14.952 -31.960 1.00 0.00 C ATOM 1191 NZ LYS A 74 23.553 -15.390 -33.133 1.00 0.00 N ATOM 0 H LYS A 74 21.923 -10.488 -29.502 1.00 0.00 H new ATOM 0 HA LYS A 74 20.486 -12.633 -28.400 1.00 0.00 H new ATOM 0 HB2 LYS A 74 23.136 -12.423 -29.884 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.491 -13.969 -29.368 1.00 0.00 H new ATOM 0 HG2 LYS A 74 20.512 -13.686 -30.772 1.00 0.00 H new ATOM 0 HG3 LYS A 74 20.970 -12.042 -31.170 1.00 0.00 H new ATOM 0 HD2 LYS A 74 21.514 -13.558 -33.034 1.00 0.00 H new ATOM 0 HD3 LYS A 74 22.976 -12.853 -32.374 1.00 0.00 H new ATOM 0 HE2 LYS A 74 23.378 -14.960 -31.068 1.00 0.00 H new ATOM 0 HE3 LYS A 74 21.942 -15.662 -31.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 23.932 -16.343 -32.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 22.949 -15.407 -33.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 24.340 -14.727 -33.283 1.00 0.00 H new ATOM 1205 N ASP A 75 23.525 -12.156 -27.121 1.00 0.00 N ATOM 1206 CA ASP A 75 24.431 -12.444 -25.996 1.00 0.00 C ATOM 1207 C ASP A 75 23.833 -11.967 -24.661 1.00 0.00 C ATOM 1208 O ASP A 75 24.018 -12.613 -23.649 1.00 0.00 O ATOM 1209 CB ASP A 75 25.805 -11.786 -26.235 1.00 0.00 C ATOM 1210 CG ASP A 75 26.840 -12.083 -25.125 1.00 0.00 C ATOM 1211 OD1 ASP A 75 27.450 -13.173 -25.150 1.00 0.00 O ATOM 1212 OD2 ASP A 75 27.064 -11.221 -24.244 1.00 0.00 O ATOM 0 H ASP A 75 23.955 -11.595 -27.857 1.00 0.00 H new ATOM 0 HA ASP A 75 24.562 -13.525 -25.937 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.201 -12.131 -27.190 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.672 -10.707 -26.316 1.00 0.00 H new ATOM 1217 N PHE A 76 23.087 -10.858 -24.706 1.00 0.00 N ATOM 1218 CA PHE A 76 22.388 -10.289 -23.537 1.00 0.00 C ATOM 1219 C PHE A 76 21.286 -11.258 -23.029 1.00 0.00 C ATOM 1220 O PHE A 76 21.294 -11.697 -21.857 1.00 0.00 O ATOM 1221 CB PHE A 76 21.778 -8.916 -23.947 1.00 0.00 C ATOM 1222 CG PHE A 76 21.331 -8.005 -22.806 1.00 0.00 C ATOM 1223 CD1 PHE A 76 22.048 -7.940 -21.611 1.00 0.00 C ATOM 1224 CD2 PHE A 76 20.211 -7.183 -22.945 1.00 0.00 C ATOM 1225 CE1 PHE A 76 21.657 -7.090 -20.598 1.00 0.00 C ATOM 1226 CE2 PHE A 76 19.821 -6.335 -21.932 1.00 0.00 C ATOM 1227 CZ PHE A 76 20.544 -6.289 -20.757 1.00 0.00 C ATOM 0 H PHE A 76 22.947 -10.321 -25.562 1.00 0.00 H new ATOM 0 HA PHE A 76 23.094 -10.145 -22.719 1.00 0.00 H new ATOM 0 HB2 PHE A 76 22.515 -8.379 -24.544 1.00 0.00 H new ATOM 0 HB3 PHE A 76 20.919 -9.102 -24.592 1.00 0.00 H new ATOM 0 HD1 PHE A 76 22.920 -8.563 -21.478 1.00 0.00 H new ATOM 0 HD2 PHE A 76 19.641 -7.213 -23.862 1.00 0.00 H new ATOM 0 HE1 PHE A 76 22.222 -7.051 -19.679 1.00 0.00 H new ATOM 0 HE2 PHE A 76 18.951 -5.707 -22.057 1.00 0.00 H new ATOM 0 HZ PHE A 76 20.239 -5.626 -19.961 1.00 0.00 H new ATOM 1237 N CYS A 77 20.369 -11.607 -23.945 1.00 0.00 N ATOM 1238 CA CYS A 77 19.220 -12.485 -23.663 1.00 0.00 C ATOM 1239 C CYS A 77 19.666 -13.908 -23.239 1.00 0.00 C ATOM 1240 O CYS A 77 19.051 -14.527 -22.369 1.00 0.00 O ATOM 1241 CB CYS A 77 18.296 -12.542 -24.898 1.00 0.00 C ATOM 1242 SG CYS A 77 17.557 -10.952 -25.330 1.00 0.00 S ATOM 0 H CYS A 77 20.404 -11.285 -24.912 1.00 0.00 H new ATOM 0 HA CYS A 77 18.670 -12.064 -22.821 1.00 0.00 H new ATOM 0 HB2 CYS A 77 18.867 -12.910 -25.750 1.00 0.00 H new ATOM 0 HB3 CYS A 77 17.500 -13.263 -24.712 1.00 0.00 H new ATOM 0 HG CYS A 77 18.403 -10.256 -26.029 1.00 0.00 H new ATOM 1248 N GLU A 78 20.773 -14.379 -23.828 1.00 0.00 N ATOM 1249 CA GLU A 78 21.331 -15.716 -23.568 1.00 0.00 C ATOM 1250 C GLU A 78 22.176 -15.715 -22.275 1.00 0.00 C ATOM 1251 O GLU A 78 22.258 -16.734 -21.582 1.00 0.00 O ATOM 1252 CB GLU A 78 22.192 -16.182 -24.771 1.00 0.00 C ATOM 1253 CG GLU A 78 21.466 -16.198 -26.138 1.00 0.00 C ATOM 1254 CD GLU A 78 20.190 -17.057 -26.177 1.00 0.00 C ATOM 1255 OE1 GLU A 78 20.301 -18.286 -26.367 1.00 0.00 O ATOM 1256 OE2 GLU A 78 19.071 -16.510 -26.021 1.00 0.00 O ATOM 0 H GLU A 78 21.313 -13.839 -24.505 1.00 0.00 H new ATOM 0 HA GLU A 78 20.503 -16.413 -23.436 1.00 0.00 H new ATOM 0 HB2 GLU A 78 23.062 -15.530 -24.848 1.00 0.00 H new ATOM 0 HB3 GLU A 78 22.563 -17.186 -24.564 1.00 0.00 H new ATOM 0 HG2 GLU A 78 21.207 -15.174 -26.409 1.00 0.00 H new ATOM 0 HG3 GLU A 78 22.157 -16.564 -26.897 1.00 0.00 H new ATOM 1263 N HIS A 79 22.793 -14.553 -21.958 1.00 0.00 N ATOM 1264 CA HIS A 79 23.563 -14.360 -20.696 1.00 0.00 C ATOM 1265 C HIS A 79 22.605 -14.297 -19.497 1.00 0.00 C ATOM 1266 O HIS A 79 23.016 -14.567 -18.365 1.00 0.00 O ATOM 1267 CB HIS A 79 24.441 -13.076 -20.739 1.00 0.00 C ATOM 1268 CG HIS A 79 25.403 -12.921 -19.586 1.00 0.00 C ATOM 1269 ND1 HIS A 79 25.042 -12.385 -18.367 1.00 0.00 N ATOM 1270 CD2 HIS A 79 26.711 -13.270 -19.460 1.00 0.00 C ATOM 1271 CE1 HIS A 79 26.073 -12.414 -17.545 1.00 0.00 C ATOM 1272 NE2 HIS A 79 27.097 -12.943 -18.181 1.00 0.00 N ATOM 0 H HIS A 79 22.775 -13.729 -22.558 1.00 0.00 H new ATOM 0 HA HIS A 79 24.231 -15.214 -20.588 1.00 0.00 H new ATOM 0 HB2 HIS A 79 25.009 -13.074 -21.669 1.00 0.00 H new ATOM 0 HB3 HIS A 79 23.785 -12.206 -20.764 1.00 0.00 H new ATOM 0 HD2 HIS A 79 27.331 -13.720 -20.222 1.00 0.00 H new ATOM 0 HE1 HIS A 79 26.077 -12.063 -16.524 1.00 0.00 H new ATOM 0 HE2 HIS A 79 28.027 -13.087 -17.788 1.00 0.00 H new ATOM 1281 N GLY A 80 21.325 -13.960 -19.749 1.00 0.00 N ATOM 1282 CA GLY A 80 20.336 -13.914 -18.668 1.00 0.00 C ATOM 1283 C GLY A 80 20.016 -12.502 -18.247 1.00 0.00 C ATOM 1284 O GLY A 80 20.054 -12.189 -17.047 1.00 0.00 O ATOM 0 H GLY A 80 20.963 -13.721 -20.672 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.422 -14.410 -18.993 1.00 0.00 H new ATOM 0 HA3 GLY A 80 20.713 -14.471 -17.810 1.00 0.00 H new