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 71:sc= 1.19 USER MOD Set 1.2: A 40 GLN :FLIP amide:sc= -1.52 F(o=-1.2!,f=-0.5) USER MOD Set 1.3: A 57 ASN : amide:sc= -0.167 K(o=-0.5,f=-2.6!) USER MOD Set 2.1: A 15 CYS SG : rot 180:sc= 0.00187 USER MOD Set 2.2: A 38 TYR OH : rot 11:sc= 0.002 USER MOD Single : A 13 MET CE :methyl 150:sc= -1.44 (180deg=-1.89) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc=-0.00637 X(o=-0.0064,f=-0.1) USER MOD Single : A 23 GLN : amide:sc= 0.0449 X(o=0.045,f=-0.2) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -62:sc= 1.42 USER MOD Single : A 32 LYS NZ :NH3+ 141:sc= 1.1 (180deg=0.122) USER MOD Single : A 33 ASN : amide:sc= -0.0882 K(o=-0.088,f=-2.3!) USER MOD Single : A 41 LYS NZ :NH3+ -157:sc= 1.11 (180deg=0.463) USER MOD Single : A 42 ASN : amide:sc= 0.709 K(o=0.71,f=0) USER MOD Single : A 50 HIS : no HE2:sc= 0.36 K(o=0.36,f=-1.3) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -23:sc= 0.293 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 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+ -165:sc= -0.0255 (180deg=-0.288) USER MOD Single : A 63 ASN : amide:sc= -0.318 X(o=-0.32,f=-0.062) USER MOD Single : A 65 ASN : amide:sc= -0.412 X(o=-0.41,f=0) USER MOD Single : A 66 CYS SG : rot 180:sc= -3.08! USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -1.49 K(o=-1.5,f=-6.5!) USER MOD Single : A 73 TYR OH : rot 163:sc= 0.908 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot -87:sc= 0.0484 USER MOD Single : A 79 HIS : no HD1:sc= -0.0366 X(o=-0.037,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 194 N MET A 13 9.820 -1.645 -22.123 1.00 0.00 N ATOM 195 CA MET A 13 10.148 -0.880 -23.334 1.00 0.00 C ATOM 196 C MET A 13 10.876 -1.778 -24.344 1.00 0.00 C ATOM 197 O MET A 13 11.975 -2.257 -24.057 1.00 0.00 O ATOM 198 CB MET A 13 11.041 0.346 -22.971 1.00 0.00 C ATOM 199 CG MET A 13 12.252 0.031 -22.054 1.00 0.00 C ATOM 200 SD MET A 13 13.671 1.106 -22.339 1.00 0.00 S ATOM 201 CE MET A 13 14.165 0.607 -23.994 1.00 0.00 C ATOM 0 HA MET A 13 9.222 -0.521 -23.783 1.00 0.00 H new ATOM 0 HB2 MET A 13 11.411 0.792 -23.894 1.00 0.00 H new ATOM 0 HB3 MET A 13 10.420 1.096 -22.481 1.00 0.00 H new ATOM 0 HG2 MET A 13 11.942 0.121 -21.013 1.00 0.00 H new ATOM 0 HG3 MET A 13 12.554 -1.005 -22.208 1.00 0.00 H new ATOM 0 HE1 MET A 13 14.620 1.453 -24.509 1.00 0.00 H new ATOM 0 HE2 MET A 13 14.886 -0.208 -23.928 1.00 0.00 H new ATOM 0 HE3 MET A 13 13.289 0.272 -24.550 1.00 0.00 H new ATOM 211 N GLY A 14 10.225 -2.043 -25.494 1.00 0.00 N ATOM 212 CA GLY A 14 10.872 -2.687 -26.642 1.00 0.00 C ATOM 213 C GLY A 14 11.537 -4.026 -26.324 1.00 0.00 C ATOM 214 O GLY A 14 12.707 -4.236 -26.644 1.00 0.00 O ATOM 0 H GLY A 14 9.242 -1.816 -25.648 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.128 -2.841 -27.423 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.623 -2.009 -27.047 1.00 0.00 H new ATOM 218 N CYS A 15 10.819 -4.901 -25.627 1.00 0.00 N ATOM 219 CA CYS A 15 11.293 -6.257 -25.334 1.00 0.00 C ATOM 220 C CYS A 15 10.875 -7.189 -26.488 1.00 0.00 C ATOM 221 O CYS A 15 9.732 -7.669 -26.530 1.00 0.00 O ATOM 222 CB CYS A 15 10.722 -6.710 -23.976 1.00 0.00 C ATOM 223 SG CYS A 15 11.140 -5.589 -22.618 1.00 0.00 S ATOM 0 H CYS A 15 9.894 -4.695 -25.249 1.00 0.00 H new ATOM 0 HA CYS A 15 12.380 -6.287 -25.258 1.00 0.00 H new ATOM 0 HB2 CYS A 15 9.638 -6.789 -24.053 1.00 0.00 H new ATOM 0 HB3 CYS A 15 11.098 -7.707 -23.745 1.00 0.00 H new ATOM 0 HG CYS A 15 10.624 -6.036 -21.512 1.00 0.00 H new ATOM 229 N TRP A 16 11.794 -7.392 -27.453 1.00 0.00 N ATOM 230 CA TRP A 16 11.514 -8.141 -28.700 1.00 0.00 C ATOM 231 C TRP A 16 11.995 -9.599 -28.597 1.00 0.00 C ATOM 232 O TRP A 16 12.532 -10.032 -27.569 1.00 0.00 O ATOM 233 CB TRP A 16 12.209 -7.464 -29.919 1.00 0.00 C ATOM 234 CG TRP A 16 12.056 -5.965 -29.963 1.00 0.00 C ATOM 235 CD1 TRP A 16 10.939 -5.247 -30.291 1.00 0.00 C ATOM 236 CD2 TRP A 16 13.066 -5.006 -29.644 1.00 0.00 C ATOM 237 NE1 TRP A 16 11.202 -3.905 -30.201 1.00 0.00 N ATOM 238 CE2 TRP A 16 12.504 -3.737 -29.802 1.00 0.00 C ATOM 239 CE3 TRP A 16 14.396 -5.105 -29.242 1.00 0.00 C ATOM 240 CZ2 TRP A 16 13.225 -2.575 -29.563 1.00 0.00 C ATOM 241 CZ3 TRP A 16 15.107 -3.947 -29.004 1.00 0.00 C ATOM 242 CH2 TRP A 16 14.523 -2.698 -29.165 1.00 0.00 C ATOM 0 H TRP A 16 12.751 -7.043 -27.393 1.00 0.00 H new ATOM 0 HA TRP A 16 10.434 -8.133 -28.844 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.271 -7.709 -29.900 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.801 -7.887 -30.837 1.00 0.00 H new ATOM 0 HD1 TRP A 16 9.990 -5.675 -30.578 1.00 0.00 H new ATOM 0 HE1 TRP A 16 10.539 -3.155 -30.398 1.00 0.00 H new ATOM 0 HE3 TRP A 16 14.862 -6.071 -29.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 12.771 -1.603 -29.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 16.137 -4.013 -28.687 1.00 0.00 H new ATOM 0 HH2 TRP A 16 15.106 -1.810 -28.972 1.00 0.00 H new ATOM 253 N SER A 17 11.763 -10.346 -29.687 1.00 0.00 N ATOM 254 CA SER A 17 12.383 -11.655 -29.932 1.00 0.00 C ATOM 255 C SER A 17 13.673 -11.454 -30.756 1.00 0.00 C ATOM 256 O SER A 17 13.862 -10.389 -31.369 1.00 0.00 O ATOM 257 CB SER A 17 11.386 -12.564 -30.687 1.00 0.00 C ATOM 258 OG SER A 17 10.165 -12.700 -29.967 1.00 0.00 O ATOM 0 H SER A 17 11.131 -10.053 -30.432 1.00 0.00 H new ATOM 0 HA SER A 17 12.639 -12.134 -28.987 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.185 -12.147 -31.674 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.831 -13.547 -30.842 1.00 0.00 H new ATOM 0 HG SER A 17 9.553 -13.278 -30.468 1.00 0.00 H new ATOM 264 N ILE A 18 14.537 -12.481 -30.783 1.00 0.00 N ATOM 265 CA ILE A 18 15.839 -12.431 -31.483 1.00 0.00 C ATOM 266 C ILE A 18 15.646 -12.165 -32.993 1.00 0.00 C ATOM 267 O ILE A 18 16.333 -11.316 -33.577 1.00 0.00 O ATOM 268 CB ILE A 18 16.650 -13.775 -31.301 1.00 0.00 C ATOM 269 CG1 ILE A 18 16.883 -14.113 -29.785 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.980 -13.755 -32.108 1.00 0.00 C ATOM 271 CD1 ILE A 18 17.652 -13.077 -28.991 1.00 0.00 C ATOM 0 H ILE A 18 14.356 -13.372 -30.321 1.00 0.00 H new ATOM 0 HA ILE A 18 16.404 -11.613 -31.036 1.00 0.00 H new ATOM 0 HB ILE A 18 16.041 -14.580 -31.713 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.912 -14.260 -29.311 1.00 0.00 H new ATOM 0 HG13 ILE A 18 17.416 -15.062 -29.721 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.510 -14.695 -31.958 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.761 -13.627 -33.168 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.602 -12.929 -31.764 1.00 0.00 H new ATOM 0 HD11 ILE A 18 17.755 -13.412 -27.959 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.641 -12.943 -29.429 1.00 0.00 H new ATOM 0 HD13 ILE A 18 17.114 -12.129 -29.013 1.00 0.00 H new ATOM 283 N GLU A 19 14.698 -12.894 -33.611 1.00 0.00 N ATOM 284 CA GLU A 19 14.474 -12.827 -35.051 1.00 0.00 C ATOM 285 C GLU A 19 13.874 -11.467 -35.463 1.00 0.00 C ATOM 286 O GLU A 19 14.184 -10.951 -36.528 1.00 0.00 O ATOM 287 CB GLU A 19 13.586 -13.995 -35.558 1.00 0.00 C ATOM 288 CG GLU A 19 13.998 -14.505 -36.960 1.00 0.00 C ATOM 289 CD GLU A 19 12.829 -15.037 -37.810 1.00 0.00 C ATOM 290 OE1 GLU A 19 12.075 -14.209 -38.380 1.00 0.00 O ATOM 291 OE2 GLU A 19 12.643 -16.270 -37.908 1.00 0.00 O ATOM 0 H GLU A 19 14.075 -13.538 -33.123 1.00 0.00 H new ATOM 0 HA GLU A 19 15.450 -12.928 -35.526 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.640 -14.820 -34.847 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.547 -13.667 -35.588 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.485 -13.693 -37.500 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.737 -15.298 -36.843 1.00 0.00 H new ATOM 298 N HIS A 20 13.015 -10.892 -34.601 1.00 0.00 N ATOM 299 CA HIS A 20 12.429 -9.550 -34.832 1.00 0.00 C ATOM 300 C HIS A 20 13.559 -8.512 -34.947 1.00 0.00 C ATOM 301 O HIS A 20 13.569 -7.686 -35.860 1.00 0.00 O ATOM 302 CB HIS A 20 11.457 -9.168 -33.685 1.00 0.00 C ATOM 303 CG HIS A 20 10.777 -7.828 -33.858 1.00 0.00 C ATOM 304 ND1 HIS A 20 9.524 -7.679 -34.411 1.00 0.00 N ATOM 305 CD2 HIS A 20 11.185 -6.575 -33.535 1.00 0.00 C ATOM 306 CE1 HIS A 20 9.194 -6.403 -34.418 1.00 0.00 C ATOM 307 NE2 HIS A 20 10.185 -5.714 -33.891 1.00 0.00 N ATOM 0 H HIS A 20 12.708 -11.334 -33.735 1.00 0.00 H new ATOM 0 HA HIS A 20 11.859 -9.568 -35.761 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.693 -9.941 -33.601 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.009 -9.162 -32.745 1.00 0.00 H new ATOM 0 HD1 HIS A 20 8.941 -8.439 -34.761 1.00 0.00 H new ATOM 0 HD2 HIS A 20 12.127 -6.307 -33.080 1.00 0.00 H new ATOM 0 HE1 HIS A 20 8.268 -5.992 -34.792 1.00 0.00 H new ATOM 316 N VAL A 21 14.514 -8.613 -34.018 1.00 0.00 N ATOM 317 CA VAL A 21 15.718 -7.775 -33.995 1.00 0.00 C ATOM 318 C VAL A 21 16.476 -7.883 -35.334 1.00 0.00 C ATOM 319 O VAL A 21 16.504 -6.919 -36.088 1.00 0.00 O ATOM 320 CB VAL A 21 16.630 -8.175 -32.771 1.00 0.00 C ATOM 321 CG1 VAL A 21 18.057 -7.580 -32.861 1.00 0.00 C ATOM 322 CG2 VAL A 21 15.936 -7.772 -31.448 1.00 0.00 C ATOM 0 H VAL A 21 14.473 -9.286 -33.252 1.00 0.00 H new ATOM 0 HA VAL A 21 15.428 -6.732 -33.869 1.00 0.00 H new ATOM 0 HB VAL A 21 16.757 -9.257 -32.797 1.00 0.00 H new ATOM 0 HG11 VAL A 21 18.636 -7.890 -31.991 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.544 -7.938 -33.768 1.00 0.00 H new ATOM 0 HG13 VAL A 21 17.997 -6.492 -32.887 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.569 -8.050 -30.606 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.770 -6.695 -31.437 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.979 -8.287 -31.368 1.00 0.00 H new ATOM 332 N GLU A 22 16.974 -9.091 -35.668 1.00 0.00 N ATOM 333 CA GLU A 22 17.874 -9.297 -36.831 1.00 0.00 C ATOM 334 C GLU A 22 17.206 -8.952 -38.176 1.00 0.00 C ATOM 335 O GLU A 22 17.806 -8.261 -39.008 1.00 0.00 O ATOM 336 CB GLU A 22 18.423 -10.751 -36.852 1.00 0.00 C ATOM 337 CG GLU A 22 17.356 -11.852 -36.856 1.00 0.00 C ATOM 338 CD GLU A 22 17.933 -13.273 -36.862 1.00 0.00 C ATOM 339 OE1 GLU A 22 18.494 -13.702 -35.827 1.00 0.00 O ATOM 340 OE2 GLU A 22 17.825 -13.975 -37.891 1.00 0.00 O ATOM 0 H GLU A 22 16.769 -9.945 -35.149 1.00 0.00 H new ATOM 0 HA GLU A 22 18.705 -8.603 -36.706 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.051 -10.873 -37.735 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.065 -10.893 -35.982 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.720 -11.732 -35.979 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.719 -11.725 -37.731 1.00 0.00 H new ATOM 347 N GLN A 23 15.957 -9.396 -38.357 1.00 0.00 N ATOM 348 CA GLN A 23 15.238 -9.269 -39.637 1.00 0.00 C ATOM 349 C GLN A 23 14.807 -7.819 -39.891 1.00 0.00 C ATOM 350 O GLN A 23 14.821 -7.356 -41.039 1.00 0.00 O ATOM 351 CB GLN A 23 14.002 -10.213 -39.655 1.00 0.00 C ATOM 352 CG GLN A 23 14.341 -11.711 -39.504 1.00 0.00 C ATOM 353 CD GLN A 23 15.286 -12.264 -40.575 1.00 0.00 C ATOM 354 OE1 GLN A 23 15.286 -11.818 -41.723 1.00 0.00 O ATOM 355 NE2 GLN A 23 16.107 -13.234 -40.205 1.00 0.00 N ATOM 0 H GLN A 23 15.414 -9.853 -37.624 1.00 0.00 H new ATOM 0 HA GLN A 23 15.918 -9.561 -40.437 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.327 -9.923 -38.850 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.463 -10.068 -40.591 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.791 -11.871 -38.524 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.414 -12.284 -39.526 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.085 -13.584 -39.247 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.762 -13.632 -40.878 1.00 0.00 H new ATOM 364 N TYR A 24 14.441 -7.101 -38.816 1.00 0.00 N ATOM 365 CA TYR A 24 13.928 -5.723 -38.915 1.00 0.00 C ATOM 366 C TYR A 24 15.033 -4.672 -38.644 1.00 0.00 C ATOM 367 O TYR A 24 14.779 -3.481 -38.805 1.00 0.00 O ATOM 368 CB TYR A 24 12.730 -5.532 -37.935 1.00 0.00 C ATOM 369 CG TYR A 24 11.473 -6.388 -38.220 1.00 0.00 C ATOM 370 CD1 TYR A 24 11.511 -7.786 -38.202 1.00 0.00 C ATOM 371 CD2 TYR A 24 10.242 -5.791 -38.504 1.00 0.00 C ATOM 372 CE1 TYR A 24 10.382 -8.548 -38.445 1.00 0.00 C ATOM 373 CE2 TYR A 24 9.111 -6.548 -38.742 1.00 0.00 C ATOM 374 CZ TYR A 24 9.184 -7.926 -38.721 1.00 0.00 C ATOM 375 OH TYR A 24 8.047 -8.681 -38.959 1.00 0.00 O ATOM 0 H TYR A 24 14.491 -7.455 -37.861 1.00 0.00 H new ATOM 0 HA TYR A 24 13.584 -5.566 -39.937 1.00 0.00 H new ATOM 0 HB2 TYR A 24 13.074 -5.754 -36.925 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.440 -4.481 -37.949 1.00 0.00 H new ATOM 0 HD1 TYR A 24 12.446 -8.284 -37.993 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.173 -4.714 -38.538 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.440 -9.626 -38.418 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.169 -6.061 -38.945 1.00 0.00 H new ATOM 0 HH TYR A 24 7.290 -8.085 -39.136 1.00 0.00 H new ATOM 385 N LEU A 25 16.249 -5.104 -38.229 1.00 0.00 N ATOM 386 CA LEU A 25 17.380 -4.169 -37.969 1.00 0.00 C ATOM 387 C LEU A 25 17.777 -3.384 -39.233 1.00 0.00 C ATOM 388 O LEU A 25 18.132 -3.977 -40.257 1.00 0.00 O ATOM 389 CB LEU A 25 18.629 -4.902 -37.363 1.00 0.00 C ATOM 390 CG LEU A 25 18.788 -4.800 -35.811 1.00 0.00 C ATOM 391 CD1 LEU A 25 20.020 -5.579 -35.320 1.00 0.00 C ATOM 392 CD2 LEU A 25 18.845 -3.328 -35.354 1.00 0.00 C ATOM 0 H LEU A 25 16.474 -6.086 -38.067 1.00 0.00 H new ATOM 0 HA LEU A 25 17.021 -3.456 -37.226 1.00 0.00 H new ATOM 0 HB2 LEU A 25 18.576 -5.956 -37.636 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.527 -4.496 -37.829 1.00 0.00 H new ATOM 0 HG LEU A 25 17.908 -5.258 -35.360 1.00 0.00 H new ATOM 0 HD11 LEU A 25 20.101 -5.487 -34.237 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.916 -6.630 -35.588 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.917 -5.172 -35.787 1.00 0.00 H new ATOM 0 HD21 LEU A 25 18.956 -3.287 -34.270 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.695 -2.834 -35.824 1.00 0.00 H new ATOM 0 HD23 LEU A 25 17.925 -2.821 -35.644 1.00 0.00 H new ATOM 404 N GLY A 26 17.706 -2.046 -39.131 1.00 0.00 N ATOM 405 CA GLY A 26 18.081 -1.140 -40.217 1.00 0.00 C ATOM 406 C GLY A 26 16.884 -0.595 -40.984 1.00 0.00 C ATOM 407 O GLY A 26 17.059 0.206 -41.908 1.00 0.00 O ATOM 0 H GLY A 26 17.386 -1.567 -38.290 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.651 -0.307 -39.806 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.739 -1.666 -40.909 1.00 0.00 H new ATOM 411 N THR A 27 15.660 -1.008 -40.602 1.00 0.00 N ATOM 412 CA THR A 27 14.419 -0.536 -41.254 1.00 0.00 C ATOM 413 C THR A 27 13.780 0.608 -40.433 1.00 0.00 C ATOM 414 O THR A 27 14.337 1.045 -39.413 1.00 0.00 O ATOM 415 CB THR A 27 13.389 -1.706 -41.434 1.00 0.00 C ATOM 416 OG1 THR A 27 12.892 -2.133 -40.155 1.00 0.00 O ATOM 417 CG2 THR A 27 13.999 -2.916 -42.173 1.00 0.00 C ATOM 0 H THR A 27 15.502 -1.670 -39.842 1.00 0.00 H new ATOM 0 HA THR A 27 14.685 -0.161 -42.242 1.00 0.00 H new ATOM 0 HB THR A 27 12.572 -1.318 -42.043 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.633 -2.481 -39.616 1.00 0.00 H new ATOM 0 HG21 THR A 27 13.247 -3.699 -42.272 1.00 0.00 H new ATOM 0 HG22 THR A 27 14.334 -2.607 -43.163 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.848 -3.299 -41.606 1.00 0.00 H new ATOM 425 N ASP A 28 12.617 1.097 -40.898 1.00 0.00 N ATOM 426 CA ASP A 28 11.781 2.056 -40.144 1.00 0.00 C ATOM 427 C ASP A 28 11.101 1.352 -38.952 1.00 0.00 C ATOM 428 O ASP A 28 10.701 2.004 -37.980 1.00 0.00 O ATOM 429 CB ASP A 28 10.695 2.676 -41.067 1.00 0.00 C ATOM 430 CG ASP A 28 11.273 3.412 -42.292 1.00 0.00 C ATOM 431 OD1 ASP A 28 11.560 2.750 -43.322 1.00 0.00 O ATOM 432 OD2 ASP A 28 11.465 4.647 -42.229 1.00 0.00 O ATOM 0 H ASP A 28 12.228 0.841 -41.805 1.00 0.00 H new ATOM 0 HA ASP A 28 12.427 2.851 -39.772 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.027 1.886 -41.410 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.091 3.373 -40.486 1.00 0.00 H new ATOM 437 N GLU A 29 10.978 0.014 -39.053 1.00 0.00 N ATOM 438 CA GLU A 29 10.280 -0.819 -38.065 1.00 0.00 C ATOM 439 C GLU A 29 11.155 -1.003 -36.812 1.00 0.00 C ATOM 440 O GLU A 29 10.698 -0.800 -35.681 1.00 0.00 O ATOM 441 CB GLU A 29 9.918 -2.201 -38.678 1.00 0.00 C ATOM 442 CG GLU A 29 9.333 -2.166 -40.110 1.00 0.00 C ATOM 443 CD GLU A 29 8.182 -1.158 -40.288 1.00 0.00 C ATOM 444 OE1 GLU A 29 7.120 -1.338 -39.654 1.00 0.00 O ATOM 445 OE2 GLU A 29 8.334 -0.185 -41.062 1.00 0.00 O ATOM 0 H GLU A 29 11.365 -0.520 -39.831 1.00 0.00 H new ATOM 0 HA GLU A 29 9.357 -0.316 -37.777 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.815 -2.820 -38.686 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.198 -2.691 -38.023 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.130 -1.921 -40.812 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.975 -3.162 -40.370 1.00 0.00 H new ATOM 452 N LEU A 30 12.420 -1.410 -37.028 1.00 0.00 N ATOM 453 CA LEU A 30 13.416 -1.557 -35.949 1.00 0.00 C ATOM 454 C LEU A 30 14.703 -0.832 -36.394 1.00 0.00 C ATOM 455 O LEU A 30 15.570 -1.440 -37.032 1.00 0.00 O ATOM 456 CB LEU A 30 13.665 -3.076 -35.628 1.00 0.00 C ATOM 457 CG LEU A 30 14.028 -3.468 -34.160 1.00 0.00 C ATOM 458 CD1 LEU A 30 15.383 -2.886 -33.695 1.00 0.00 C ATOM 459 CD2 LEU A 30 12.890 -3.069 -33.208 1.00 0.00 C ATOM 0 H LEU A 30 12.780 -1.646 -37.953 1.00 0.00 H new ATOM 0 HA LEU A 30 13.056 -1.107 -35.024 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.767 -3.627 -35.908 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.469 -3.426 -36.275 1.00 0.00 H new ATOM 0 HG LEU A 30 14.146 -4.551 -34.136 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.578 -3.194 -32.668 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.179 -3.255 -34.342 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.349 -1.798 -33.747 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.155 -3.347 -32.188 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.732 -1.992 -33.261 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.975 -3.584 -33.499 1.00 0.00 H new ATOM 471 N PRO A 31 14.817 0.503 -36.123 1.00 0.00 N ATOM 472 CA PRO A 31 16.062 1.250 -36.387 1.00 0.00 C ATOM 473 C PRO A 31 17.190 0.796 -35.434 1.00 0.00 C ATOM 474 O PRO A 31 16.925 0.443 -34.272 1.00 0.00 O ATOM 475 CB PRO A 31 15.644 2.729 -36.165 1.00 0.00 C ATOM 476 CG PRO A 31 14.485 2.665 -35.214 1.00 0.00 C ATOM 477 CD PRO A 31 13.750 1.390 -35.560 1.00 0.00 C ATOM 0 HA PRO A 31 16.469 1.088 -37.385 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.465 3.313 -35.749 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.359 3.204 -37.104 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.827 2.653 -34.179 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.837 3.534 -35.326 1.00 0.00 H new ATOM 0 HD2 PRO A 31 13.284 0.946 -34.680 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.956 1.570 -36.285 1.00 0.00 H new ATOM 485 N LYS A 32 18.439 0.802 -35.941 1.00 0.00 N ATOM 486 CA LYS A 32 19.630 0.353 -35.188 1.00 0.00 C ATOM 487 C LYS A 32 19.794 1.120 -33.866 1.00 0.00 C ATOM 488 O LYS A 32 20.143 0.527 -32.840 1.00 0.00 O ATOM 489 CB LYS A 32 20.921 0.481 -36.055 1.00 0.00 C ATOM 490 CG LYS A 32 21.114 -0.660 -37.088 1.00 0.00 C ATOM 491 CD LYS A 32 22.531 -0.665 -37.718 1.00 0.00 C ATOM 492 CE LYS A 32 22.757 0.465 -38.733 1.00 0.00 C ATOM 493 NZ LYS A 32 24.137 0.441 -39.285 1.00 0.00 N ATOM 0 H LYS A 32 18.652 1.119 -36.887 1.00 0.00 H new ATOM 0 HA LYS A 32 19.477 -0.698 -34.945 1.00 0.00 H new ATOM 0 HB2 LYS A 32 20.896 1.434 -36.584 1.00 0.00 H new ATOM 0 HB3 LYS A 32 21.787 0.507 -35.394 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.934 -1.619 -36.602 1.00 0.00 H new ATOM 0 HG3 LYS A 32 20.370 -0.559 -37.878 1.00 0.00 H new ATOM 0 HD2 LYS A 32 23.273 -0.582 -36.924 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.697 -1.623 -38.211 1.00 0.00 H new ATOM 0 HE2 LYS A 32 22.038 0.372 -39.547 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.574 1.427 -38.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.110 0.673 -40.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 24.723 1.140 -38.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 24.545 -0.507 -39.157 1.00 0.00 H new ATOM 507 N ASN A 33 19.486 2.426 -33.912 1.00 0.00 N ATOM 508 CA ASN A 33 19.600 3.331 -32.753 1.00 0.00 C ATOM 509 C ASN A 33 18.785 2.798 -31.561 1.00 0.00 C ATOM 510 O ASN A 33 19.272 2.764 -30.445 1.00 0.00 O ATOM 511 CB ASN A 33 19.095 4.750 -33.115 1.00 0.00 C ATOM 512 CG ASN A 33 19.480 5.824 -32.084 1.00 0.00 C ATOM 513 OD1 ASN A 33 20.455 6.553 -32.266 1.00 0.00 O ATOM 514 ND2 ASN A 33 18.739 5.910 -30.984 1.00 0.00 N ATOM 0 H ASN A 33 19.149 2.888 -34.757 1.00 0.00 H new ATOM 0 HA ASN A 33 20.653 3.381 -32.476 1.00 0.00 H new ATOM 0 HB2 ASN A 33 19.497 5.032 -34.088 1.00 0.00 H new ATOM 0 HB3 ASN A 33 18.010 4.726 -33.214 1.00 0.00 H new ATOM 0 HD21 ASN A 33 18.973 6.593 -30.264 1.00 0.00 H new ATOM 0 HD22 ASN A 33 17.936 5.293 -30.860 1.00 0.00 H new ATOM 521 N ASP A 34 17.546 2.352 -31.848 1.00 0.00 N ATOM 522 CA ASP A 34 16.567 1.923 -30.821 1.00 0.00 C ATOM 523 C ASP A 34 16.984 0.591 -30.154 1.00 0.00 C ATOM 524 O ASP A 34 16.693 0.358 -28.967 1.00 0.00 O ATOM 525 CB ASP A 34 15.161 1.812 -31.456 1.00 0.00 C ATOM 526 CG ASP A 34 14.036 1.602 -30.423 1.00 0.00 C ATOM 527 OD1 ASP A 34 13.774 2.534 -29.630 1.00 0.00 O ATOM 528 OD2 ASP A 34 13.391 0.528 -30.412 1.00 0.00 O ATOM 0 H ASP A 34 17.192 2.278 -32.802 1.00 0.00 H new ATOM 0 HA ASP A 34 16.542 2.677 -30.034 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.956 2.718 -32.026 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.154 0.982 -32.163 1.00 0.00 H new ATOM 533 N LEU A 35 17.689 -0.257 -30.923 1.00 0.00 N ATOM 534 CA LEU A 35 18.259 -1.525 -30.418 1.00 0.00 C ATOM 535 C LEU A 35 19.376 -1.201 -29.398 1.00 0.00 C ATOM 536 O LEU A 35 19.380 -1.705 -28.268 1.00 0.00 O ATOM 537 CB LEU A 35 18.790 -2.372 -31.627 1.00 0.00 C ATOM 538 CG LEU A 35 19.066 -3.906 -31.412 1.00 0.00 C ATOM 539 CD1 LEU A 35 20.290 -4.192 -30.536 1.00 0.00 C ATOM 540 CD2 LEU A 35 17.828 -4.614 -30.857 1.00 0.00 C ATOM 0 H LEU A 35 17.881 -0.086 -31.910 1.00 0.00 H new ATOM 0 HA LEU A 35 17.499 -2.118 -29.909 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.069 -2.277 -32.439 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.718 -1.914 -31.969 1.00 0.00 H new ATOM 0 HG LEU A 35 19.295 -4.309 -32.399 1.00 0.00 H new ATOM 0 HD11 LEU A 35 20.419 -5.269 -30.431 1.00 0.00 H new ATOM 0 HD12 LEU A 35 21.178 -3.764 -31.001 1.00 0.00 H new ATOM 0 HD13 LEU A 35 20.145 -3.747 -29.552 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.046 -5.673 -30.718 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.554 -4.171 -29.899 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.001 -4.503 -31.558 1.00 0.00 H new ATOM 552 N ILE A 36 20.298 -0.323 -29.825 1.00 0.00 N ATOM 553 CA ILE A 36 21.431 0.151 -28.996 1.00 0.00 C ATOM 554 C ILE A 36 20.916 0.880 -27.737 1.00 0.00 C ATOM 555 O ILE A 36 21.478 0.724 -26.656 1.00 0.00 O ATOM 556 CB ILE A 36 22.352 1.120 -29.820 1.00 0.00 C ATOM 557 CG1 ILE A 36 22.837 0.436 -31.137 1.00 0.00 C ATOM 558 CG2 ILE A 36 23.568 1.616 -28.988 1.00 0.00 C ATOM 559 CD1 ILE A 36 23.388 1.385 -32.188 1.00 0.00 C ATOM 0 H ILE A 36 20.283 0.084 -30.760 1.00 0.00 H new ATOM 0 HA ILE A 36 22.011 -0.721 -28.692 1.00 0.00 H new ATOM 0 HB ILE A 36 21.752 1.993 -30.077 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.608 -0.293 -30.887 1.00 0.00 H new ATOM 0 HG13 ILE A 36 22.003 -0.117 -31.570 1.00 0.00 H new ATOM 0 HG21 ILE A 36 24.178 2.283 -29.597 1.00 0.00 H new ATOM 0 HG22 ILE A 36 23.212 2.152 -28.108 1.00 0.00 H new ATOM 0 HG23 ILE A 36 24.168 0.761 -28.675 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.698 0.816 -33.065 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.616 2.100 -32.474 1.00 0.00 H new ATOM 0 HD13 ILE A 36 24.245 1.921 -31.781 1.00 0.00 H new ATOM 571 N THR A 37 19.818 1.649 -27.916 1.00 0.00 N ATOM 572 CA THR A 37 19.125 2.386 -26.841 1.00 0.00 C ATOM 573 C THR A 37 18.700 1.412 -25.737 1.00 0.00 C ATOM 574 O THR A 37 19.037 1.609 -24.571 1.00 0.00 O ATOM 575 CB THR A 37 17.877 3.158 -27.395 1.00 0.00 C ATOM 576 OG1 THR A 37 18.310 4.163 -28.322 1.00 0.00 O ATOM 577 CG2 THR A 37 17.027 3.819 -26.292 1.00 0.00 C ATOM 0 H THR A 37 19.383 1.775 -28.830 1.00 0.00 H new ATOM 0 HA THR A 37 19.815 3.121 -26.428 1.00 0.00 H new ATOM 0 HB THR A 37 17.244 2.419 -27.885 1.00 0.00 H new ATOM 0 HG1 THR A 37 18.631 3.734 -29.143 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.181 4.335 -26.745 1.00 0.00 H new ATOM 0 HG22 THR A 37 16.661 3.054 -25.607 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.637 4.536 -25.743 1.00 0.00 H new ATOM 585 N TYR A 38 18.012 0.329 -26.150 1.00 0.00 N ATOM 586 CA TYR A 38 17.585 -0.748 -25.245 1.00 0.00 C ATOM 587 C TYR A 38 18.788 -1.294 -24.457 1.00 0.00 C ATOM 588 O TYR A 38 18.739 -1.394 -23.237 1.00 0.00 O ATOM 589 CB TYR A 38 16.910 -1.890 -26.046 1.00 0.00 C ATOM 590 CG TYR A 38 16.362 -3.036 -25.172 1.00 0.00 C ATOM 591 CD1 TYR A 38 15.058 -3.001 -24.682 1.00 0.00 C ATOM 592 CD2 TYR A 38 17.150 -4.151 -24.841 1.00 0.00 C ATOM 593 CE1 TYR A 38 14.561 -4.027 -23.895 1.00 0.00 C ATOM 594 CE2 TYR A 38 16.651 -5.176 -24.060 1.00 0.00 C ATOM 595 CZ TYR A 38 15.357 -5.110 -23.594 1.00 0.00 C ATOM 596 OH TYR A 38 14.855 -6.132 -22.819 1.00 0.00 O ATOM 0 H TYR A 38 17.738 0.180 -27.121 1.00 0.00 H new ATOM 0 HA TYR A 38 16.861 -0.340 -24.540 1.00 0.00 H new ATOM 0 HB2 TYR A 38 16.092 -1.473 -26.633 1.00 0.00 H new ATOM 0 HB3 TYR A 38 17.632 -2.300 -26.752 1.00 0.00 H new ATOM 0 HD1 TYR A 38 14.424 -2.160 -24.920 1.00 0.00 H new ATOM 0 HD2 TYR A 38 18.166 -4.208 -25.204 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.550 -3.978 -23.518 1.00 0.00 H new ATOM 0 HE2 TYR A 38 17.273 -6.025 -23.816 1.00 0.00 H new ATOM 0 HH TYR A 38 13.887 -6.019 -22.716 1.00 0.00 H new ATOM 606 N LEU A 39 19.875 -1.605 -25.180 1.00 0.00 N ATOM 607 CA LEU A 39 21.074 -2.237 -24.593 1.00 0.00 C ATOM 608 C LEU A 39 21.734 -1.336 -23.525 1.00 0.00 C ATOM 609 O LEU A 39 22.097 -1.812 -22.467 1.00 0.00 O ATOM 610 CB LEU A 39 22.082 -2.625 -25.704 1.00 0.00 C ATOM 611 CG LEU A 39 21.563 -3.676 -26.739 1.00 0.00 C ATOM 612 CD1 LEU A 39 22.595 -3.914 -27.854 1.00 0.00 C ATOM 613 CD2 LEU A 39 21.167 -5.008 -26.053 1.00 0.00 C ATOM 0 H LEU A 39 19.951 -1.428 -26.182 1.00 0.00 H new ATOM 0 HA LEU A 39 20.756 -3.148 -24.086 1.00 0.00 H new ATOM 0 HB2 LEU A 39 22.371 -1.722 -26.242 1.00 0.00 H new ATOM 0 HB3 LEU A 39 22.983 -3.017 -25.233 1.00 0.00 H new ATOM 0 HG LEU A 39 20.663 -3.264 -27.196 1.00 0.00 H new ATOM 0 HD11 LEU A 39 22.206 -4.649 -28.559 1.00 0.00 H new ATOM 0 HD12 LEU A 39 22.788 -2.977 -28.377 1.00 0.00 H new ATOM 0 HD13 LEU A 39 23.523 -4.284 -27.418 1.00 0.00 H new ATOM 0 HD21 LEU A 39 20.811 -5.713 -26.805 1.00 0.00 H new ATOM 0 HD22 LEU A 39 22.035 -5.427 -25.544 1.00 0.00 H new ATOM 0 HD23 LEU A 39 20.376 -4.822 -25.327 1.00 0.00 H new ATOM 625 N GLN A 40 21.855 -0.027 -23.787 1.00 0.00 N ATOM 626 CA GLN A 40 22.510 0.918 -22.841 1.00 0.00 C ATOM 627 C GLN A 40 21.566 1.350 -21.702 1.00 0.00 C ATOM 628 O GLN A 40 22.032 1.831 -20.660 1.00 0.00 O ATOM 629 CB GLN A 40 23.117 2.131 -23.602 1.00 0.00 C ATOM 630 CG GLN A 40 22.123 2.932 -24.466 1.00 0.00 C ATOM 631 CD GLN A 40 22.769 3.768 -25.588 1.00 0.00 C ATOM 632 OE1 GLN A 40 23.879 3.287 -26.157 1.00 0.00 O flip ATOM 633 NE2 GLN A 40 22.250 4.821 -25.971 1.00 0.00 N flip ATOM 0 H GLN A 40 21.512 0.411 -24.642 1.00 0.00 H new ATOM 0 HA GLN A 40 23.333 0.389 -22.361 1.00 0.00 H new ATOM 0 HB2 GLN A 40 23.567 2.807 -22.875 1.00 0.00 H new ATOM 0 HB3 GLN A 40 23.922 1.771 -24.243 1.00 0.00 H new ATOM 0 HG2 GLN A 40 21.411 2.238 -24.913 1.00 0.00 H new ATOM 0 HG3 GLN A 40 21.554 3.598 -23.817 1.00 0.00 H new ATOM 0 HE21 GLN A 40 21.403 5.166 -25.519 1.00 0.00 H new ATOM 0 HE22 GLN A 40 22.668 5.346 -26.739 1.00 0.00 H new ATOM 642 N LYS A 41 20.244 1.186 -21.891 1.00 0.00 N ATOM 643 CA LYS A 41 19.246 1.462 -20.828 1.00 0.00 C ATOM 644 C LYS A 41 19.110 0.271 -19.857 1.00 0.00 C ATOM 645 O LYS A 41 18.975 0.459 -18.641 1.00 0.00 O ATOM 646 CB LYS A 41 17.856 1.786 -21.434 1.00 0.00 C ATOM 647 CG LYS A 41 17.774 3.138 -22.180 1.00 0.00 C ATOM 648 CD LYS A 41 16.335 3.487 -22.623 1.00 0.00 C ATOM 649 CE LYS A 41 15.383 3.679 -21.426 1.00 0.00 C ATOM 650 NZ LYS A 41 14.037 4.130 -21.849 1.00 0.00 N ATOM 0 H LYS A 41 19.837 0.864 -22.769 1.00 0.00 H new ATOM 0 HA LYS A 41 19.607 2.329 -20.275 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.581 0.989 -22.125 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.116 1.783 -20.633 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.153 3.929 -21.533 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.422 3.105 -23.056 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.352 4.399 -23.220 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.952 2.693 -23.265 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.295 2.740 -20.880 1.00 0.00 H new ATOM 0 HE3 LYS A 41 15.810 4.409 -20.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.566 4.610 -21.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.127 4.789 -22.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.471 3.308 -22.141 1.00 0.00 H new ATOM 664 N ASN A 42 19.132 -0.949 -20.408 1.00 0.00 N ATOM 665 CA ASN A 42 18.841 -2.188 -19.656 1.00 0.00 C ATOM 666 C ASN A 42 20.123 -2.863 -19.118 1.00 0.00 C ATOM 667 O ASN A 42 20.049 -3.626 -18.147 1.00 0.00 O ATOM 668 CB ASN A 42 18.032 -3.170 -20.564 1.00 0.00 C ATOM 669 CG ASN A 42 16.563 -2.767 -20.775 1.00 0.00 C ATOM 670 OD1 ASN A 42 15.673 -3.229 -20.066 1.00 0.00 O ATOM 671 ND2 ASN A 42 16.291 -1.885 -21.731 1.00 0.00 N ATOM 0 H ASN A 42 19.352 -1.111 -21.391 1.00 0.00 H new ATOM 0 HA ASN A 42 18.243 -1.921 -18.785 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.522 -3.236 -21.535 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.064 -4.166 -20.122 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.330 -1.581 -21.886 1.00 0.00 H new ATOM 0 HD22 ASN A 42 17.043 -1.512 -22.310 1.00 0.00 H new ATOM 678 N ALA A 43 21.292 -2.603 -19.744 1.00 0.00 N ATOM 679 CA ALA A 43 22.573 -3.270 -19.368 1.00 0.00 C ATOM 680 C ALA A 43 23.549 -2.326 -18.643 1.00 0.00 C ATOM 681 O ALA A 43 23.309 -1.119 -18.536 1.00 0.00 O ATOM 682 CB ALA A 43 23.247 -3.865 -20.614 1.00 0.00 C ATOM 0 H ALA A 43 21.382 -1.938 -20.512 1.00 0.00 H new ATOM 0 HA ALA A 43 22.319 -4.066 -18.668 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.181 -4.349 -20.327 1.00 0.00 H new ATOM 0 HB2 ALA A 43 22.583 -4.599 -21.071 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.456 -3.070 -21.330 1.00 0.00 H new ATOM 688 N ASP A 44 24.665 -2.922 -18.176 1.00 0.00 N ATOM 689 CA ASP A 44 25.727 -2.239 -17.403 1.00 0.00 C ATOM 690 C ASP A 44 26.811 -1.686 -18.339 1.00 0.00 C ATOM 691 O ASP A 44 26.934 -2.148 -19.472 1.00 0.00 O ATOM 692 CB ASP A 44 26.363 -3.242 -16.407 1.00 0.00 C ATOM 693 CG ASP A 44 25.330 -3.926 -15.489 1.00 0.00 C ATOM 694 OD1 ASP A 44 24.721 -4.932 -15.915 1.00 0.00 O ATOM 695 OD2 ASP A 44 25.129 -3.463 -14.345 1.00 0.00 O ATOM 0 H ASP A 44 24.859 -3.912 -18.328 1.00 0.00 H new ATOM 0 HA ASP A 44 25.283 -1.406 -16.858 1.00 0.00 H new ATOM 0 HB2 ASP A 44 26.904 -4.005 -16.966 1.00 0.00 H new ATOM 0 HB3 ASP A 44 27.095 -2.718 -15.792 1.00 0.00 H new ATOM 700 N ALA A 45 27.635 -0.744 -17.828 1.00 0.00 N ATOM 701 CA ALA A 45 28.692 -0.066 -18.622 1.00 0.00 C ATOM 702 C ALA A 45 29.665 -1.073 -19.256 1.00 0.00 C ATOM 703 O ALA A 45 30.117 -0.873 -20.380 1.00 0.00 O ATOM 704 CB ALA A 45 29.465 0.936 -17.756 1.00 0.00 C ATOM 0 H ALA A 45 27.589 -0.431 -16.858 1.00 0.00 H new ATOM 0 HA ALA A 45 28.192 0.472 -19.428 1.00 0.00 H new ATOM 0 HB1 ALA A 45 30.234 1.420 -18.358 1.00 0.00 H new ATOM 0 HB2 ALA A 45 28.778 1.689 -17.370 1.00 0.00 H new ATOM 0 HB3 ALA A 45 29.933 0.412 -16.923 1.00 0.00 H new ATOM 710 N ALA A 46 29.944 -2.162 -18.517 1.00 0.00 N ATOM 711 CA ALA A 46 30.826 -3.263 -18.965 1.00 0.00 C ATOM 712 C ALA A 46 30.345 -3.871 -20.299 1.00 0.00 C ATOM 713 O ALA A 46 31.147 -4.158 -21.198 1.00 0.00 O ATOM 714 CB ALA A 46 30.881 -4.349 -17.881 1.00 0.00 C ATOM 0 H ALA A 46 29.561 -2.307 -17.583 1.00 0.00 H new ATOM 0 HA ALA A 46 31.823 -2.854 -19.130 1.00 0.00 H new ATOM 0 HB1 ALA A 46 31.530 -5.160 -18.211 1.00 0.00 H new ATOM 0 HB2 ALA A 46 31.274 -3.922 -16.958 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.878 -4.737 -17.703 1.00 0.00 H new ATOM 720 N PHE A 47 29.015 -4.027 -20.402 1.00 0.00 N ATOM 721 CA PHE A 47 28.341 -4.629 -21.566 1.00 0.00 C ATOM 722 C PHE A 47 28.533 -3.749 -22.816 1.00 0.00 C ATOM 723 O PHE A 47 28.855 -4.251 -23.895 1.00 0.00 O ATOM 724 CB PHE A 47 26.833 -4.815 -21.240 1.00 0.00 C ATOM 725 CG PHE A 47 26.052 -5.672 -22.236 1.00 0.00 C ATOM 726 CD1 PHE A 47 25.966 -7.051 -22.057 1.00 0.00 C ATOM 727 CD2 PHE A 47 25.412 -5.109 -23.345 1.00 0.00 C ATOM 728 CE1 PHE A 47 25.264 -7.836 -22.948 1.00 0.00 C ATOM 729 CE2 PHE A 47 24.709 -5.899 -24.237 1.00 0.00 C ATOM 730 CZ PHE A 47 24.643 -7.261 -24.037 1.00 0.00 C ATOM 0 H PHE A 47 28.368 -3.735 -19.669 1.00 0.00 H new ATOM 0 HA PHE A 47 28.781 -5.603 -21.779 1.00 0.00 H new ATOM 0 HB2 PHE A 47 26.744 -5.264 -20.251 1.00 0.00 H new ATOM 0 HB3 PHE A 47 26.365 -3.832 -21.186 1.00 0.00 H new ATOM 0 HD1 PHE A 47 26.455 -7.511 -21.211 1.00 0.00 H new ATOM 0 HD2 PHE A 47 25.467 -4.043 -23.507 1.00 0.00 H new ATOM 0 HE1 PHE A 47 25.201 -8.903 -22.793 1.00 0.00 H new ATOM 0 HE2 PHE A 47 24.214 -5.451 -25.086 1.00 0.00 H new ATOM 0 HZ PHE A 47 24.102 -7.881 -24.737 1.00 0.00 H new ATOM 740 N LEU A 48 28.342 -2.425 -22.648 1.00 0.00 N ATOM 741 CA LEU A 48 28.480 -1.462 -23.756 1.00 0.00 C ATOM 742 C LEU A 48 29.952 -1.323 -24.180 1.00 0.00 C ATOM 743 O LEU A 48 30.260 -1.306 -25.361 1.00 0.00 O ATOM 744 CB LEU A 48 27.877 -0.071 -23.405 1.00 0.00 C ATOM 745 CG LEU A 48 26.337 -0.010 -23.106 1.00 0.00 C ATOM 746 CD1 LEU A 48 25.531 -1.001 -23.976 1.00 0.00 C ATOM 747 CD2 LEU A 48 26.024 -0.198 -21.617 1.00 0.00 C ATOM 0 H LEU A 48 28.092 -2.000 -21.755 1.00 0.00 H new ATOM 0 HA LEU A 48 27.910 -1.859 -24.596 1.00 0.00 H new ATOM 0 HB2 LEU A 48 28.406 0.316 -22.534 1.00 0.00 H new ATOM 0 HB3 LEU A 48 28.087 0.607 -24.232 1.00 0.00 H new ATOM 0 HG LEU A 48 26.017 0.996 -23.379 1.00 0.00 H new ATOM 0 HD11 LEU A 48 24.472 -0.921 -23.732 1.00 0.00 H new ATOM 0 HD12 LEU A 48 25.680 -0.764 -25.030 1.00 0.00 H new ATOM 0 HD13 LEU A 48 25.872 -2.018 -23.781 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.946 -0.148 -21.463 1.00 0.00 H new ATOM 0 HD22 LEU A 48 26.393 -1.169 -21.288 1.00 0.00 H new ATOM 0 HD23 LEU A 48 26.510 0.589 -21.041 1.00 0.00 H new ATOM 759 N ARG A 49 30.852 -1.250 -23.201 1.00 0.00 N ATOM 760 CA ARG A 49 32.311 -1.143 -23.449 1.00 0.00 C ATOM 761 C ARG A 49 32.860 -2.424 -24.121 1.00 0.00 C ATOM 762 O ARG A 49 33.886 -2.384 -24.807 1.00 0.00 O ATOM 763 CB ARG A 49 33.044 -0.837 -22.120 1.00 0.00 C ATOM 764 CG ARG A 49 32.744 0.576 -21.556 1.00 0.00 C ATOM 765 CD ARG A 49 33.196 0.766 -20.101 1.00 0.00 C ATOM 766 NE ARG A 49 32.930 2.139 -19.612 1.00 0.00 N ATOM 767 CZ ARG A 49 33.125 2.572 -18.353 1.00 0.00 C ATOM 768 NH1 ARG A 49 33.530 1.747 -17.399 1.00 0.00 N ATOM 769 NH2 ARG A 49 32.911 3.846 -18.068 1.00 0.00 N ATOM 0 H ARG A 49 30.604 -1.262 -22.212 1.00 0.00 H new ATOM 0 HA ARG A 49 32.493 -0.321 -24.141 1.00 0.00 H new ATOM 0 HB2 ARG A 49 32.760 -1.583 -21.378 1.00 0.00 H new ATOM 0 HB3 ARG A 49 34.118 -0.936 -22.276 1.00 0.00 H new ATOM 0 HG2 ARG A 49 33.238 1.320 -22.181 1.00 0.00 H new ATOM 0 HG3 ARG A 49 31.672 0.765 -21.622 1.00 0.00 H new ATOM 0 HD2 ARG A 49 32.679 0.048 -19.464 1.00 0.00 H new ATOM 0 HD3 ARG A 49 34.262 0.553 -20.022 1.00 0.00 H new ATOM 0 HE ARG A 49 32.568 2.813 -20.287 1.00 0.00 H new ATOM 0 HH11 ARG A 49 33.700 0.764 -17.613 1.00 0.00 H new ATOM 0 HH12 ARG A 49 33.672 2.095 -16.451 1.00 0.00 H new ATOM 0 HH21 ARG A 49 32.602 4.487 -18.799 1.00 0.00 H new ATOM 0 HH22 ARG A 49 33.055 4.187 -17.118 1.00 0.00 H new ATOM 783 N HIS A 50 32.156 -3.551 -23.917 1.00 0.00 N ATOM 784 CA HIS A 50 32.445 -4.830 -24.596 1.00 0.00 C ATOM 785 C HIS A 50 31.985 -4.771 -26.071 1.00 0.00 C ATOM 786 O HIS A 50 32.771 -5.025 -26.988 1.00 0.00 O ATOM 787 CB HIS A 50 31.734 -5.989 -23.851 1.00 0.00 C ATOM 788 CG HIS A 50 31.904 -7.350 -24.473 1.00 0.00 C ATOM 789 ND1 HIS A 50 30.850 -8.090 -24.959 1.00 0.00 N ATOM 790 CD2 HIS A 50 33.007 -8.117 -24.652 1.00 0.00 C ATOM 791 CE1 HIS A 50 31.291 -9.246 -25.408 1.00 0.00 C ATOM 792 NE2 HIS A 50 32.597 -9.292 -25.234 1.00 0.00 N ATOM 0 H HIS A 50 31.366 -3.602 -23.274 1.00 0.00 H new ATOM 0 HA HIS A 50 33.520 -5.007 -24.581 1.00 0.00 H new ATOM 0 HB2 HIS A 50 32.108 -6.025 -22.828 1.00 0.00 H new ATOM 0 HB3 HIS A 50 30.669 -5.764 -23.794 1.00 0.00 H new ATOM 0 HD1 HIS A 50 29.876 -7.788 -24.970 1.00 0.00 H new ATOM 0 HD2 HIS A 50 34.020 -7.853 -24.386 1.00 0.00 H new ATOM 0 HE1 HIS A 50 30.685 -10.026 -25.845 1.00 0.00 H new ATOM 801 N TRP A 51 30.703 -4.417 -26.280 1.00 0.00 N ATOM 802 CA TRP A 51 30.063 -4.416 -27.619 1.00 0.00 C ATOM 803 C TRP A 51 30.290 -3.096 -28.383 1.00 0.00 C ATOM 804 O TRP A 51 29.671 -2.874 -29.425 1.00 0.00 O ATOM 805 CB TRP A 51 28.548 -4.726 -27.477 1.00 0.00 C ATOM 806 CG TRP A 51 28.271 -6.135 -27.009 1.00 0.00 C ATOM 807 CD1 TRP A 51 27.834 -6.539 -25.784 1.00 0.00 C ATOM 808 CD2 TRP A 51 28.449 -7.327 -27.782 1.00 0.00 C ATOM 809 NE1 TRP A 51 27.715 -7.904 -25.750 1.00 0.00 N ATOM 810 CE2 TRP A 51 28.090 -8.410 -26.967 1.00 0.00 C ATOM 811 CE3 TRP A 51 28.869 -7.574 -29.089 1.00 0.00 C ATOM 812 CZ2 TRP A 51 28.150 -9.727 -27.413 1.00 0.00 C ATOM 813 CZ3 TRP A 51 28.927 -8.877 -29.532 1.00 0.00 C ATOM 814 CH2 TRP A 51 28.567 -9.942 -28.697 1.00 0.00 C ATOM 0 H TRP A 51 30.078 -4.123 -25.529 1.00 0.00 H new ATOM 0 HA TRP A 51 30.536 -5.198 -28.213 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.104 -4.022 -26.773 1.00 0.00 H new ATOM 0 HB3 TRP A 51 28.059 -4.566 -28.438 1.00 0.00 H new ATOM 0 HD1 TRP A 51 27.613 -5.879 -24.958 1.00 0.00 H new ATOM 0 HE1 TRP A 51 27.399 -8.453 -24.950 1.00 0.00 H new ATOM 0 HE3 TRP A 51 29.144 -6.759 -29.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 27.877 -10.549 -26.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 29.256 -9.081 -30.540 1.00 0.00 H new ATOM 0 HH2 TRP A 51 28.620 -10.952 -29.075 1.00 0.00 H new ATOM 825 N LYS A 52 31.189 -2.238 -27.846 1.00 0.00 N ATOM 826 CA LYS A 52 31.649 -0.977 -28.490 1.00 0.00 C ATOM 827 C LYS A 52 30.486 0.058 -28.592 1.00 0.00 C ATOM 828 O LYS A 52 30.520 0.982 -29.407 1.00 0.00 O ATOM 829 CB LYS A 52 32.310 -1.267 -29.885 1.00 0.00 C ATOM 830 CG LYS A 52 33.354 -2.424 -29.899 1.00 0.00 C ATOM 831 CD LYS A 52 34.601 -2.174 -29.011 1.00 0.00 C ATOM 832 CE LYS A 52 35.502 -1.039 -29.541 1.00 0.00 C ATOM 833 NZ LYS A 52 36.656 -0.768 -28.647 1.00 0.00 N ATOM 0 H LYS A 52 31.624 -2.402 -26.938 1.00 0.00 H new ATOM 0 HA LYS A 52 32.417 -0.531 -27.858 1.00 0.00 H new ATOM 0 HB2 LYS A 52 31.522 -1.502 -30.600 1.00 0.00 H new ATOM 0 HB3 LYS A 52 32.796 -0.356 -30.235 1.00 0.00 H new ATOM 0 HG2 LYS A 52 32.866 -3.341 -29.569 1.00 0.00 H new ATOM 0 HG3 LYS A 52 33.681 -2.589 -30.925 1.00 0.00 H new ATOM 0 HD2 LYS A 52 34.277 -1.930 -27.999 1.00 0.00 H new ATOM 0 HD3 LYS A 52 35.184 -3.093 -28.946 1.00 0.00 H new ATOM 0 HE2 LYS A 52 35.869 -1.303 -30.533 1.00 0.00 H new ATOM 0 HE3 LYS A 52 34.910 -0.130 -29.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 37.231 0.002 -29.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 36.309 -0.490 -27.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 37.238 -1.626 -28.561 1.00 0.00 H new ATOM 847 N LEU A 53 29.475 -0.113 -27.717 1.00 0.00 N ATOM 848 CA LEU A 53 28.275 0.752 -27.623 1.00 0.00 C ATOM 849 C LEU A 53 28.436 1.855 -26.532 1.00 0.00 C ATOM 850 O LEU A 53 27.436 2.459 -26.116 1.00 0.00 O ATOM 851 CB LEU A 53 27.043 -0.129 -27.259 1.00 0.00 C ATOM 852 CG LEU A 53 26.792 -1.411 -28.110 1.00 0.00 C ATOM 853 CD1 LEU A 53 25.694 -2.278 -27.473 1.00 0.00 C ATOM 854 CD2 LEU A 53 26.443 -1.077 -29.568 1.00 0.00 C ATOM 0 H LEU A 53 29.467 -0.874 -27.038 1.00 0.00 H new ATOM 0 HA LEU A 53 28.140 1.242 -28.587 1.00 0.00 H new ATOM 0 HB2 LEU A 53 27.144 -0.433 -26.217 1.00 0.00 H new ATOM 0 HB3 LEU A 53 26.153 0.496 -27.324 1.00 0.00 H new ATOM 0 HG LEU A 53 27.723 -1.978 -28.123 1.00 0.00 H new ATOM 0 HD11 LEU A 53 25.534 -3.168 -28.082 1.00 0.00 H new ATOM 0 HD12 LEU A 53 26.001 -2.575 -26.470 1.00 0.00 H new ATOM 0 HD13 LEU A 53 24.768 -1.707 -27.415 1.00 0.00 H new ATOM 0 HD21 LEU A 53 26.277 -2.000 -30.123 1.00 0.00 H new ATOM 0 HD22 LEU A 53 25.539 -0.469 -29.596 1.00 0.00 H new ATOM 0 HD23 LEU A 53 27.266 -0.524 -30.022 1.00 0.00 H new ATOM 866 N THR A 54 29.675 2.106 -26.064 1.00 0.00 N ATOM 867 CA THR A 54 29.934 3.042 -24.938 1.00 0.00 C ATOM 868 C THR A 54 29.976 4.537 -25.372 1.00 0.00 C ATOM 869 O THR A 54 29.992 5.432 -24.511 1.00 0.00 O ATOM 870 CB THR A 54 31.254 2.646 -24.184 1.00 0.00 C ATOM 871 OG1 THR A 54 31.456 3.478 -23.026 1.00 0.00 O ATOM 872 CG2 THR A 54 32.495 2.728 -25.084 1.00 0.00 C ATOM 0 H THR A 54 30.517 1.675 -26.446 1.00 0.00 H new ATOM 0 HA THR A 54 29.087 2.946 -24.259 1.00 0.00 H new ATOM 0 HB THR A 54 31.127 1.608 -23.876 1.00 0.00 H new ATOM 0 HG1 THR A 54 30.973 4.323 -23.142 1.00 0.00 H new ATOM 0 HG21 THR A 54 33.379 2.444 -24.512 1.00 0.00 H new ATOM 0 HG22 THR A 54 32.377 2.050 -25.930 1.00 0.00 H new ATOM 0 HG23 THR A 54 32.612 3.748 -25.450 1.00 0.00 H new ATOM 880 N GLY A 55 29.976 4.805 -26.698 1.00 0.00 N ATOM 881 CA GLY A 55 30.045 6.187 -27.224 1.00 0.00 C ATOM 882 C GLY A 55 28.671 6.848 -27.362 1.00 0.00 C ATOM 883 O GLY A 55 27.755 6.559 -26.579 1.00 0.00 O ATOM 0 H GLY A 55 29.929 4.086 -27.420 1.00 0.00 H new ATOM 0 HA2 GLY A 55 30.667 6.790 -26.562 1.00 0.00 H new ATOM 0 HA3 GLY A 55 30.535 6.174 -28.198 1.00 0.00 H new ATOM 887 N THR A 56 28.517 7.731 -28.370 1.00 0.00 N ATOM 888 CA THR A 56 27.228 8.383 -28.676 1.00 0.00 C ATOM 889 C THR A 56 26.450 7.517 -29.687 1.00 0.00 C ATOM 890 O THR A 56 26.998 7.138 -30.729 1.00 0.00 O ATOM 891 CB THR A 56 27.414 9.852 -29.210 1.00 0.00 C ATOM 892 OG1 THR A 56 26.135 10.453 -29.459 1.00 0.00 O ATOM 893 CG2 THR A 56 28.274 9.941 -30.489 1.00 0.00 C ATOM 0 H THR A 56 29.277 8.010 -28.990 1.00 0.00 H new ATOM 0 HA THR A 56 26.657 8.465 -27.751 1.00 0.00 H new ATOM 0 HB THR A 56 27.948 10.391 -28.428 1.00 0.00 H new ATOM 0 HG1 THR A 56 26.262 11.367 -29.789 1.00 0.00 H new ATOM 0 HG21 THR A 56 28.359 10.983 -30.799 1.00 0.00 H new ATOM 0 HG22 THR A 56 29.267 9.540 -30.288 1.00 0.00 H new ATOM 0 HG23 THR A 56 27.804 9.363 -31.285 1.00 0.00 H new ATOM 901 N ASN A 57 25.173 7.213 -29.361 1.00 0.00 N ATOM 902 CA ASN A 57 24.333 6.221 -30.093 1.00 0.00 C ATOM 903 C ASN A 57 24.215 6.551 -31.602 1.00 0.00 C ATOM 904 O ASN A 57 24.053 5.655 -32.432 1.00 0.00 O ATOM 905 CB ASN A 57 22.923 6.137 -29.428 1.00 0.00 C ATOM 906 CG ASN A 57 22.104 4.891 -29.809 1.00 0.00 C ATOM 907 OD1 ASN A 57 22.261 4.306 -30.876 1.00 0.00 O ATOM 908 ND2 ASN A 57 21.205 4.483 -28.936 1.00 0.00 N ATOM 0 H ASN A 57 24.687 7.649 -28.577 1.00 0.00 H new ATOM 0 HA ASN A 57 24.823 5.250 -30.025 1.00 0.00 H new ATOM 0 HB2 ASN A 57 23.046 6.157 -28.345 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.354 7.026 -29.701 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.626 3.669 -29.143 1.00 0.00 H new ATOM 0 HD22 ASN A 57 21.088 4.981 -28.054 1.00 0.00 H new ATOM 915 N LYS A 58 24.342 7.837 -31.936 1.00 0.00 N ATOM 916 CA LYS A 58 24.305 8.326 -33.327 1.00 0.00 C ATOM 917 C LYS A 58 25.482 7.743 -34.150 1.00 0.00 C ATOM 918 O LYS A 58 25.284 7.108 -35.207 1.00 0.00 O ATOM 919 CB LYS A 58 24.352 9.872 -33.308 1.00 0.00 C ATOM 920 CG LYS A 58 24.229 10.544 -34.695 1.00 0.00 C ATOM 921 CD LYS A 58 24.041 12.077 -34.599 1.00 0.00 C ATOM 922 CE LYS A 58 22.741 12.464 -33.862 1.00 0.00 C ATOM 923 NZ LYS A 58 22.561 13.930 -33.778 1.00 0.00 N ATOM 0 H LYS A 58 24.475 8.578 -31.248 1.00 0.00 H new ATOM 0 HA LYS A 58 23.384 7.996 -33.807 1.00 0.00 H new ATOM 0 HB2 LYS A 58 23.547 10.238 -32.671 1.00 0.00 H new ATOM 0 HB3 LYS A 58 25.289 10.187 -32.850 1.00 0.00 H new ATOM 0 HG2 LYS A 58 25.123 10.327 -35.280 1.00 0.00 H new ATOM 0 HG3 LYS A 58 23.384 10.111 -35.231 1.00 0.00 H new ATOM 0 HD2 LYS A 58 24.894 12.513 -34.079 1.00 0.00 H new ATOM 0 HD3 LYS A 58 24.027 12.502 -35.602 1.00 0.00 H new ATOM 0 HE2 LYS A 58 21.888 12.024 -34.378 1.00 0.00 H new ATOM 0 HE3 LYS A 58 22.756 12.043 -32.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 21.676 14.143 -33.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 23.361 14.349 -33.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 22.519 14.330 -34.737 1.00 0.00 H new ATOM 937 N SER A 59 26.705 7.932 -33.629 1.00 0.00 N ATOM 938 CA SER A 59 27.923 7.404 -34.258 1.00 0.00 C ATOM 939 C SER A 59 27.953 5.868 -34.171 1.00 0.00 C ATOM 940 O SER A 59 28.432 5.210 -35.086 1.00 0.00 O ATOM 941 CB SER A 59 29.185 7.998 -33.600 1.00 0.00 C ATOM 942 OG SER A 59 29.167 9.414 -33.650 1.00 0.00 O ATOM 0 H SER A 59 26.875 8.451 -32.767 1.00 0.00 H new ATOM 0 HA SER A 59 27.913 7.696 -35.308 1.00 0.00 H new ATOM 0 HB2 SER A 59 29.248 7.668 -32.563 1.00 0.00 H new ATOM 0 HB3 SER A 59 30.074 7.624 -34.108 1.00 0.00 H new ATOM 0 HG SER A 59 29.977 9.767 -33.225 1.00 0.00 H new ATOM 948 N ILE A 60 27.400 5.311 -33.075 1.00 0.00 N ATOM 949 CA ILE A 60 27.391 3.855 -32.834 1.00 0.00 C ATOM 950 C ILE A 60 26.530 3.124 -33.885 1.00 0.00 C ATOM 951 O ILE A 60 26.943 2.108 -34.406 1.00 0.00 O ATOM 952 CB ILE A 60 26.880 3.504 -31.390 1.00 0.00 C ATOM 953 CG1 ILE A 60 27.783 4.140 -30.297 1.00 0.00 C ATOM 954 CG2 ILE A 60 26.791 1.979 -31.168 1.00 0.00 C ATOM 955 CD1 ILE A 60 27.200 4.059 -28.904 1.00 0.00 C ATOM 0 H ILE A 60 26.950 5.853 -32.337 1.00 0.00 H new ATOM 0 HA ILE A 60 28.423 3.515 -32.921 1.00 0.00 H new ATOM 0 HB ILE A 60 25.878 3.924 -31.305 1.00 0.00 H new ATOM 0 HG12 ILE A 60 28.753 3.643 -30.305 1.00 0.00 H new ATOM 0 HG13 ILE A 60 27.959 5.186 -30.547 1.00 0.00 H new ATOM 0 HG21 ILE A 60 26.434 1.779 -30.158 1.00 0.00 H new ATOM 0 HG22 ILE A 60 26.099 1.546 -31.890 1.00 0.00 H new ATOM 0 HG23 ILE A 60 27.777 1.534 -31.299 1.00 0.00 H new ATOM 0 HD11 ILE A 60 27.886 4.523 -28.195 1.00 0.00 H new ATOM 0 HD12 ILE A 60 26.244 4.581 -28.879 1.00 0.00 H new ATOM 0 HD13 ILE A 60 27.050 3.014 -28.633 1.00 0.00 H new ATOM 967 N ARG A 61 25.337 3.647 -34.202 1.00 0.00 N ATOM 968 CA ARG A 61 24.485 3.048 -35.252 1.00 0.00 C ATOM 969 C ARG A 61 25.131 3.260 -36.636 1.00 0.00 C ATOM 970 O ARG A 61 25.014 2.413 -37.524 1.00 0.00 O ATOM 971 CB ARG A 61 23.046 3.630 -35.217 1.00 0.00 C ATOM 972 CG ARG A 61 22.934 5.098 -35.672 1.00 0.00 C ATOM 973 CD ARG A 61 21.514 5.652 -35.590 1.00 0.00 C ATOM 974 NE ARG A 61 21.396 6.961 -36.259 1.00 0.00 N ATOM 975 CZ ARG A 61 20.645 7.213 -37.346 1.00 0.00 C ATOM 976 NH1 ARG A 61 19.925 6.256 -37.919 1.00 0.00 N ATOM 977 NH2 ARG A 61 20.640 8.427 -37.866 1.00 0.00 N ATOM 0 H ARG A 61 24.939 4.473 -33.755 1.00 0.00 H new ATOM 0 HA ARG A 61 24.405 1.978 -35.060 1.00 0.00 H new ATOM 0 HB2 ARG A 61 22.405 3.017 -35.851 1.00 0.00 H new ATOM 0 HB3 ARG A 61 22.660 3.548 -34.201 1.00 0.00 H new ATOM 0 HG2 ARG A 61 23.592 5.712 -35.057 1.00 0.00 H new ATOM 0 HG3 ARG A 61 23.289 5.180 -36.699 1.00 0.00 H new ATOM 0 HD2 ARG A 61 20.822 4.946 -36.049 1.00 0.00 H new ATOM 0 HD3 ARG A 61 21.222 5.751 -34.544 1.00 0.00 H new ATOM 0 HE ARG A 61 21.927 7.738 -35.866 1.00 0.00 H new ATOM 0 HH11 ARG A 61 19.935 5.311 -37.535 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.361 6.466 -38.743 1.00 0.00 H new ATOM 0 HH21 ARG A 61 21.203 9.165 -37.443 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.073 8.626 -38.690 1.00 0.00 H new ATOM 991 N LYS A 62 25.839 4.395 -36.787 1.00 0.00 N ATOM 992 CA LYS A 62 26.510 4.766 -38.043 1.00 0.00 C ATOM 993 C LYS A 62 27.770 3.903 -38.320 1.00 0.00 C ATOM 994 O LYS A 62 28.103 3.644 -39.487 1.00 0.00 O ATOM 995 CB LYS A 62 26.857 6.279 -37.990 1.00 0.00 C ATOM 996 CG LYS A 62 27.522 6.852 -39.256 1.00 0.00 C ATOM 997 CD LYS A 62 27.835 8.362 -39.143 1.00 0.00 C ATOM 998 CE LYS A 62 28.584 8.902 -40.375 1.00 0.00 C ATOM 999 NZ LYS A 62 29.855 8.165 -40.618 1.00 0.00 N ATOM 0 H LYS A 62 25.961 5.079 -36.041 1.00 0.00 H new ATOM 0 HA LYS A 62 25.832 4.572 -38.874 1.00 0.00 H new ATOM 0 HB2 LYS A 62 25.941 6.837 -37.798 1.00 0.00 H new ATOM 0 HB3 LYS A 62 27.520 6.452 -37.142 1.00 0.00 H new ATOM 0 HG2 LYS A 62 28.446 6.309 -39.452 1.00 0.00 H new ATOM 0 HG3 LYS A 62 26.867 6.685 -40.111 1.00 0.00 H new ATOM 0 HD2 LYS A 62 26.904 8.914 -39.017 1.00 0.00 H new ATOM 0 HD3 LYS A 62 28.435 8.540 -38.250 1.00 0.00 H new ATOM 0 HE2 LYS A 62 27.944 8.821 -41.253 1.00 0.00 H new ATOM 0 HE3 LYS A 62 28.800 9.961 -40.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 30.447 8.704 -41.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 30.364 8.044 -39.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 29.643 7.231 -41.024 1.00 0.00 H new ATOM 1013 N ASN A 63 28.451 3.438 -37.258 1.00 0.00 N ATOM 1014 CA ASN A 63 29.733 2.701 -37.383 1.00 0.00 C ATOM 1015 C ASN A 63 29.537 1.189 -37.168 1.00 0.00 C ATOM 1016 O ASN A 63 30.027 0.371 -37.957 1.00 0.00 O ATOM 1017 CB ASN A 63 30.782 3.242 -36.374 1.00 0.00 C ATOM 1018 CG ASN A 63 31.078 4.748 -36.481 1.00 0.00 C ATOM 1019 OD1 ASN A 63 31.438 5.384 -35.489 1.00 0.00 O ATOM 1020 ND2 ASN A 63 30.927 5.335 -37.659 1.00 0.00 N ATOM 0 H ASN A 63 28.137 3.558 -36.295 1.00 0.00 H new ATOM 0 HA ASN A 63 30.099 2.860 -38.397 1.00 0.00 H new ATOM 0 HB2 ASN A 63 30.435 3.027 -35.363 1.00 0.00 H new ATOM 0 HB3 ASN A 63 31.714 2.694 -36.514 1.00 0.00 H new ATOM 0 HD21 ASN A 63 31.110 6.334 -37.758 1.00 0.00 H new ATOM 0 HD22 ASN A 63 30.628 4.788 -38.467 1.00 0.00 H new ATOM 1027 N ARG A 64 28.822 0.836 -36.090 1.00 0.00 N ATOM 1028 CA ARG A 64 28.619 -0.571 -35.685 1.00 0.00 C ATOM 1029 C ARG A 64 27.573 -1.217 -36.603 1.00 0.00 C ATOM 1030 O ARG A 64 26.570 -0.585 -36.969 1.00 0.00 O ATOM 1031 CB ARG A 64 28.183 -0.710 -34.195 1.00 0.00 C ATOM 1032 CG ARG A 64 29.114 -0.026 -33.164 1.00 0.00 C ATOM 1033 CD ARG A 64 30.572 -0.517 -33.230 1.00 0.00 C ATOM 1034 NE ARG A 64 30.719 -1.958 -32.936 1.00 0.00 N ATOM 1035 CZ ARG A 64 31.442 -2.827 -33.663 1.00 0.00 C ATOM 1036 NH1 ARG A 64 31.963 -2.471 -34.833 1.00 0.00 N ATOM 1037 NH2 ARG A 64 31.628 -4.055 -33.219 1.00 0.00 N ATOM 0 H ARG A 64 28.368 1.511 -35.474 1.00 0.00 H new ATOM 0 HA ARG A 64 29.576 -1.084 -35.782 1.00 0.00 H new ATOM 0 HB2 ARG A 64 27.181 -0.294 -34.087 1.00 0.00 H new ATOM 0 HB3 ARG A 64 28.116 -1.770 -33.951 1.00 0.00 H new ATOM 0 HG2 ARG A 64 29.094 1.051 -33.328 1.00 0.00 H new ATOM 0 HG3 ARG A 64 28.725 -0.203 -32.161 1.00 0.00 H new ATOM 0 HD2 ARG A 64 30.972 -0.314 -34.224 1.00 0.00 H new ATOM 0 HD3 ARG A 64 31.172 0.054 -32.522 1.00 0.00 H new ATOM 0 HE ARG A 64 30.233 -2.322 -32.116 1.00 0.00 H new ATOM 0 HH11 ARG A 64 31.816 -1.527 -35.191 1.00 0.00 H new ATOM 0 HH12 ARG A 64 32.509 -3.142 -35.373 1.00 0.00 H new ATOM 0 HH21 ARG A 64 31.224 -4.342 -32.327 1.00 0.00 H new ATOM 0 HH22 ARG A 64 32.176 -4.718 -33.767 1.00 0.00 H new ATOM 1051 N ASN A 65 27.834 -2.471 -36.963 1.00 0.00 N ATOM 1052 CA ASN A 65 27.019 -3.228 -37.915 1.00 0.00 C ATOM 1053 C ASN A 65 25.833 -3.891 -37.204 1.00 0.00 C ATOM 1054 O ASN A 65 25.891 -4.139 -35.994 1.00 0.00 O ATOM 1055 CB ASN A 65 27.904 -4.290 -38.614 1.00 0.00 C ATOM 1056 CG ASN A 65 29.065 -3.690 -39.435 1.00 0.00 C ATOM 1057 OD1 ASN A 65 30.145 -4.279 -39.528 1.00 0.00 O ATOM 1058 ND2 ASN A 65 28.851 -2.534 -40.065 1.00 0.00 N ATOM 0 H ASN A 65 28.627 -2.999 -36.598 1.00 0.00 H new ATOM 0 HA ASN A 65 26.617 -2.547 -38.666 1.00 0.00 H new ATOM 0 HB2 ASN A 65 28.314 -4.962 -37.860 1.00 0.00 H new ATOM 0 HB3 ASN A 65 27.279 -4.894 -39.273 1.00 0.00 H new ATOM 0 HD21 ASN A 65 29.588 -2.121 -40.637 1.00 0.00 H new ATOM 0 HD22 ASN A 65 27.951 -2.063 -39.975 1.00 0.00 H new ATOM 1065 N CYS A 66 24.769 -4.197 -37.977 1.00 0.00 N ATOM 1066 CA CYS A 66 23.566 -4.878 -37.468 1.00 0.00 C ATOM 1067 C CYS A 66 23.937 -6.221 -36.818 1.00 0.00 C ATOM 1068 O CYS A 66 23.404 -6.561 -35.778 1.00 0.00 O ATOM 1069 CB CYS A 66 22.535 -5.103 -38.596 1.00 0.00 C ATOM 1070 SG CYS A 66 21.867 -3.581 -39.285 1.00 0.00 S ATOM 0 H CYS A 66 24.723 -3.977 -38.972 1.00 0.00 H new ATOM 0 HA CYS A 66 23.115 -4.234 -36.713 1.00 0.00 H new ATOM 0 HB2 CYS A 66 23.004 -5.677 -39.395 1.00 0.00 H new ATOM 0 HB3 CYS A 66 21.714 -5.707 -38.210 1.00 0.00 H new ATOM 0 HG CYS A 66 21.014 -3.867 -40.224 1.00 0.00 H new ATOM 1076 N SER A 67 24.893 -6.941 -37.442 1.00 0.00 N ATOM 1077 CA SER A 67 25.396 -8.253 -36.970 1.00 0.00 C ATOM 1078 C SER A 67 25.902 -8.187 -35.503 1.00 0.00 C ATOM 1079 O SER A 67 25.686 -9.119 -34.715 1.00 0.00 O ATOM 1080 CB SER A 67 26.524 -8.723 -37.917 1.00 0.00 C ATOM 1081 OG SER A 67 26.101 -8.693 -39.275 1.00 0.00 O ATOM 0 H SER A 67 25.345 -6.625 -38.300 1.00 0.00 H new ATOM 0 HA SER A 67 24.574 -8.969 -36.986 1.00 0.00 H new ATOM 0 HB2 SER A 67 27.398 -8.084 -37.791 1.00 0.00 H new ATOM 0 HB3 SER A 67 26.828 -9.735 -37.650 1.00 0.00 H new ATOM 0 HG SER A 67 26.834 -8.993 -39.853 1.00 0.00 H new ATOM 1087 N GLN A 68 26.553 -7.060 -35.157 1.00 0.00 N ATOM 1088 CA GLN A 68 27.035 -6.776 -33.787 1.00 0.00 C ATOM 1089 C GLN A 68 25.852 -6.624 -32.829 1.00 0.00 C ATOM 1090 O GLN A 68 25.849 -7.189 -31.735 1.00 0.00 O ATOM 1091 CB GLN A 68 27.912 -5.486 -33.801 1.00 0.00 C ATOM 1092 CG GLN A 68 28.555 -5.074 -32.446 1.00 0.00 C ATOM 1093 CD GLN A 68 27.723 -4.108 -31.601 1.00 0.00 C ATOM 1094 OE1 GLN A 68 27.807 -2.900 -31.784 1.00 0.00 O ATOM 1095 NE2 GLN A 68 26.946 -4.621 -30.661 1.00 0.00 N ATOM 0 H GLN A 68 26.762 -6.315 -35.822 1.00 0.00 H new ATOM 0 HA GLN A 68 27.644 -7.609 -33.437 1.00 0.00 H new ATOM 0 HB2 GLN A 68 28.710 -5.623 -34.531 1.00 0.00 H new ATOM 0 HB3 GLN A 68 27.297 -4.658 -34.153 1.00 0.00 H new ATOM 0 HG2 GLN A 68 28.742 -5.975 -31.862 1.00 0.00 H new ATOM 0 HG3 GLN A 68 29.524 -4.616 -32.645 1.00 0.00 H new ATOM 0 HE21 GLN A 68 26.898 -5.632 -30.534 1.00 0.00 H new ATOM 0 HE22 GLN A 68 26.395 -4.006 -30.063 1.00 0.00 H new ATOM 1104 N LEU A 69 24.862 -5.844 -33.277 1.00 0.00 N ATOM 1105 CA LEU A 69 23.647 -5.520 -32.503 1.00 0.00 C ATOM 1106 C LEU A 69 22.792 -6.774 -32.228 1.00 0.00 C ATOM 1107 O LEU A 69 22.195 -6.891 -31.156 1.00 0.00 O ATOM 1108 CB LEU A 69 22.813 -4.440 -33.246 1.00 0.00 C ATOM 1109 CG LEU A 69 23.226 -2.952 -33.020 1.00 0.00 C ATOM 1110 CD1 LEU A 69 24.694 -2.660 -33.405 1.00 0.00 C ATOM 1111 CD2 LEU A 69 22.266 -2.022 -33.780 1.00 0.00 C ATOM 0 H LEU A 69 24.878 -5.411 -34.200 1.00 0.00 H new ATOM 0 HA LEU A 69 23.961 -5.125 -31.537 1.00 0.00 H new ATOM 0 HB2 LEU A 69 22.864 -4.648 -34.315 1.00 0.00 H new ATOM 0 HB3 LEU A 69 21.770 -4.552 -32.948 1.00 0.00 H new ATOM 0 HG LEU A 69 23.153 -2.760 -31.950 1.00 0.00 H new ATOM 0 HD11 LEU A 69 24.915 -1.608 -33.223 1.00 0.00 H new ATOM 0 HD12 LEU A 69 25.358 -3.280 -32.803 1.00 0.00 H new ATOM 0 HD13 LEU A 69 24.845 -2.886 -34.461 1.00 0.00 H new ATOM 0 HD21 LEU A 69 22.560 -0.985 -33.618 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.307 -2.249 -34.845 1.00 0.00 H new ATOM 0 HD23 LEU A 69 21.250 -2.172 -33.416 1.00 0.00 H new ATOM 1123 N ILE A 70 22.754 -7.703 -33.204 1.00 0.00 N ATOM 1124 CA ILE A 70 22.043 -8.992 -33.064 1.00 0.00 C ATOM 1125 C ILE A 70 22.764 -9.829 -32.003 1.00 0.00 C ATOM 1126 O ILE A 70 22.150 -10.316 -31.065 1.00 0.00 O ATOM 1127 CB ILE A 70 21.999 -9.804 -34.416 1.00 0.00 C ATOM 1128 CG1 ILE A 70 21.434 -8.932 -35.582 1.00 0.00 C ATOM 1129 CG2 ILE A 70 21.167 -11.111 -34.256 1.00 0.00 C ATOM 1130 CD1 ILE A 70 21.736 -9.461 -36.980 1.00 0.00 C ATOM 0 H ILE A 70 23.212 -7.583 -34.107 1.00 0.00 H new ATOM 0 HA ILE A 70 21.013 -8.781 -32.775 1.00 0.00 H new ATOM 0 HB ILE A 70 23.023 -10.080 -34.667 1.00 0.00 H new ATOM 0 HG12 ILE A 70 20.353 -8.850 -35.465 1.00 0.00 H new ATOM 0 HG13 ILE A 70 21.841 -7.925 -35.494 1.00 0.00 H new ATOM 0 HG21 ILE A 70 21.153 -11.651 -35.202 1.00 0.00 H new ATOM 0 HG22 ILE A 70 21.618 -11.738 -33.487 1.00 0.00 H new ATOM 0 HG23 ILE A 70 20.147 -10.860 -33.966 1.00 0.00 H new ATOM 0 HD11 ILE A 70 21.305 -8.791 -37.724 1.00 0.00 H new ATOM 0 HD12 ILE A 70 22.815 -9.516 -37.123 1.00 0.00 H new ATOM 0 HD13 ILE A 70 21.304 -10.455 -37.094 1.00 0.00 H new ATOM 1142 N ALA A 71 24.097 -9.938 -32.170 1.00 0.00 N ATOM 1143 CA ALA A 71 24.990 -10.667 -31.248 1.00 0.00 C ATOM 1144 C ALA A 71 24.921 -10.101 -29.820 1.00 0.00 C ATOM 1145 O ALA A 71 25.025 -10.846 -28.851 1.00 0.00 O ATOM 1146 CB ALA A 71 26.434 -10.634 -31.781 1.00 0.00 C ATOM 0 H ALA A 71 24.589 -9.517 -32.958 1.00 0.00 H new ATOM 0 HA ALA A 71 24.652 -11.702 -31.199 1.00 0.00 H new ATOM 0 HB1 ALA A 71 27.087 -11.174 -31.096 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.470 -11.105 -32.763 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.768 -9.600 -31.862 1.00 0.00 H new ATOM 1152 N ALA A 72 24.710 -8.782 -29.716 1.00 0.00 N ATOM 1153 CA ALA A 72 24.631 -8.071 -28.431 1.00 0.00 C ATOM 1154 C ALA A 72 23.291 -8.355 -27.727 1.00 0.00 C ATOM 1155 O ALA A 72 23.267 -8.681 -26.536 1.00 0.00 O ATOM 1156 CB ALA A 72 24.836 -6.566 -28.651 1.00 0.00 C ATOM 0 H ALA A 72 24.588 -8.174 -30.526 1.00 0.00 H new ATOM 0 HA ALA A 72 25.425 -8.435 -27.779 1.00 0.00 H new ATOM 0 HB1 ALA A 72 24.776 -6.047 -27.694 1.00 0.00 H new ATOM 0 HB2 ALA A 72 25.816 -6.394 -29.097 1.00 0.00 H new ATOM 0 HB3 ALA A 72 24.062 -6.187 -29.319 1.00 0.00 H new ATOM 1162 N TYR A 73 22.179 -8.262 -28.492 1.00 0.00 N ATOM 1163 CA TYR A 73 20.819 -8.500 -27.959 1.00 0.00 C ATOM 1164 C TYR A 73 20.662 -9.976 -27.535 1.00 0.00 C ATOM 1165 O TYR A 73 20.029 -10.275 -26.510 1.00 0.00 O ATOM 1166 CB TYR A 73 19.729 -8.113 -28.997 1.00 0.00 C ATOM 1167 CG TYR A 73 18.304 -8.106 -28.413 1.00 0.00 C ATOM 1168 CD1 TYR A 73 17.808 -6.978 -27.756 1.00 0.00 C ATOM 1169 CD2 TYR A 73 17.472 -9.237 -28.474 1.00 0.00 C ATOM 1170 CE1 TYR A 73 16.545 -6.974 -27.192 1.00 0.00 C ATOM 1171 CE2 TYR A 73 16.204 -9.228 -27.918 1.00 0.00 C ATOM 1172 CZ TYR A 73 15.748 -8.096 -27.272 1.00 0.00 C ATOM 1173 OH TYR A 73 14.492 -8.087 -26.701 1.00 0.00 O ATOM 0 H TYR A 73 22.198 -8.023 -29.483 1.00 0.00 H new ATOM 0 HA TYR A 73 20.684 -7.865 -27.083 1.00 0.00 H new ATOM 0 HB2 TYR A 73 19.954 -7.125 -29.398 1.00 0.00 H new ATOM 0 HB3 TYR A 73 19.768 -8.813 -29.832 1.00 0.00 H new ATOM 0 HD1 TYR A 73 18.422 -6.092 -27.687 1.00 0.00 H new ATOM 0 HD2 TYR A 73 17.829 -10.131 -28.964 1.00 0.00 H new ATOM 0 HE1 TYR A 73 16.183 -6.090 -26.688 1.00 0.00 H new ATOM 0 HE2 TYR A 73 15.574 -10.103 -27.989 1.00 0.00 H new ATOM 0 HH TYR A 73 13.962 -8.827 -27.065 1.00 0.00 H new ATOM 1183 N LYS A 74 21.259 -10.889 -28.331 1.00 0.00 N ATOM 1184 CA LYS A 74 21.286 -12.331 -28.028 1.00 0.00 C ATOM 1185 C LYS A 74 22.045 -12.565 -26.726 1.00 0.00 C ATOM 1186 O LYS A 74 21.484 -13.094 -25.782 1.00 0.00 O ATOM 1187 CB LYS A 74 21.934 -13.155 -29.176 1.00 0.00 C ATOM 1188 CG LYS A 74 21.081 -13.249 -30.452 1.00 0.00 C ATOM 1189 CD LYS A 74 21.687 -14.173 -31.533 1.00 0.00 C ATOM 1190 CE LYS A 74 23.015 -13.658 -32.095 1.00 0.00 C ATOM 1191 NZ LYS A 74 23.538 -14.521 -33.183 1.00 0.00 N ATOM 0 H LYS A 74 21.734 -10.645 -29.200 1.00 0.00 H new ATOM 0 HA LYS A 74 20.255 -12.670 -27.924 1.00 0.00 H new ATOM 0 HB2 LYS A 74 22.896 -12.709 -29.429 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.136 -14.163 -28.814 1.00 0.00 H new ATOM 0 HG2 LYS A 74 20.088 -13.613 -30.189 1.00 0.00 H new ATOM 0 HG3 LYS A 74 20.954 -12.250 -30.869 1.00 0.00 H new ATOM 0 HD2 LYS A 74 21.840 -15.165 -31.109 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.973 -14.282 -32.349 1.00 0.00 H new ATOM 0 HE2 LYS A 74 22.879 -12.644 -32.472 1.00 0.00 H new ATOM 0 HE3 LYS A 74 23.750 -13.604 -31.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 24.438 -14.133 -33.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 23.694 -15.483 -32.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.850 -14.553 -33.962 1.00 0.00 H new ATOM 1205 N ASP A 75 23.301 -12.092 -26.684 1.00 0.00 N ATOM 1206 CA ASP A 75 24.199 -12.229 -25.513 1.00 0.00 C ATOM 1207 C ASP A 75 23.503 -11.769 -24.216 1.00 0.00 C ATOM 1208 O ASP A 75 23.591 -12.426 -23.197 1.00 0.00 O ATOM 1209 CB ASP A 75 25.488 -11.409 -25.752 1.00 0.00 C ATOM 1210 CG ASP A 75 26.526 -11.502 -24.615 1.00 0.00 C ATOM 1211 OD1 ASP A 75 27.037 -12.614 -24.351 1.00 0.00 O ATOM 1212 OD2 ASP A 75 26.865 -10.463 -24.002 1.00 0.00 O ATOM 0 H ASP A 75 23.731 -11.598 -27.466 1.00 0.00 H new ATOM 0 HA ASP A 75 24.455 -13.282 -25.394 1.00 0.00 H new ATOM 0 HB2 ASP A 75 25.952 -11.747 -26.679 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.217 -10.363 -25.894 1.00 0.00 H new ATOM 1217 N PHE A 76 22.756 -10.671 -24.318 1.00 0.00 N ATOM 1218 CA PHE A 76 22.015 -10.061 -23.197 1.00 0.00 C ATOM 1219 C PHE A 76 20.857 -10.972 -22.720 1.00 0.00 C ATOM 1220 O PHE A 76 20.678 -11.220 -21.508 1.00 0.00 O ATOM 1221 CB PHE A 76 21.476 -8.685 -23.668 1.00 0.00 C ATOM 1222 CG PHE A 76 21.008 -7.758 -22.563 1.00 0.00 C ATOM 1223 CD1 PHE A 76 21.757 -7.613 -21.394 1.00 0.00 C ATOM 1224 CD2 PHE A 76 19.842 -7.010 -22.697 1.00 0.00 C ATOM 1225 CE1 PHE A 76 21.347 -6.766 -20.396 1.00 0.00 C ATOM 1226 CE2 PHE A 76 19.435 -6.162 -21.696 1.00 0.00 C ATOM 1227 CZ PHE A 76 20.190 -6.037 -20.546 1.00 0.00 C ATOM 0 H PHE A 76 22.642 -10.165 -25.196 1.00 0.00 H new ATOM 0 HA PHE A 76 22.683 -9.932 -22.346 1.00 0.00 H new ATOM 0 HB2 PHE A 76 22.259 -8.181 -24.234 1.00 0.00 H new ATOM 0 HB3 PHE A 76 20.646 -8.854 -24.353 1.00 0.00 H new ATOM 0 HD1 PHE A 76 22.671 -8.175 -21.274 1.00 0.00 H new ATOM 0 HD2 PHE A 76 19.251 -7.097 -23.597 1.00 0.00 H new ATOM 0 HE1 PHE A 76 21.932 -6.671 -19.493 1.00 0.00 H new ATOM 0 HE2 PHE A 76 18.524 -5.593 -21.808 1.00 0.00 H new ATOM 0 HZ PHE A 76 19.871 -5.365 -19.763 1.00 0.00 H new ATOM 1237 N CYS A 77 20.091 -11.472 -23.698 1.00 0.00 N ATOM 1238 CA CYS A 77 18.953 -12.384 -23.469 1.00 0.00 C ATOM 1239 C CYS A 77 19.414 -13.711 -22.836 1.00 0.00 C ATOM 1240 O CYS A 77 18.731 -14.278 -21.976 1.00 0.00 O ATOM 1241 CB CYS A 77 18.235 -12.650 -24.808 1.00 0.00 C ATOM 1242 SG CYS A 77 16.878 -13.840 -24.708 1.00 0.00 S ATOM 0 H CYS A 77 20.242 -11.255 -24.683 1.00 0.00 H new ATOM 0 HA CYS A 77 18.264 -11.910 -22.771 1.00 0.00 H new ATOM 0 HB2 CYS A 77 17.846 -11.706 -25.191 1.00 0.00 H new ATOM 0 HB3 CYS A 77 18.965 -13.011 -25.532 1.00 0.00 H new ATOM 0 HG CYS A 77 17.345 -15.044 -24.857 1.00 0.00 H new ATOM 1248 N GLU A 78 20.599 -14.171 -23.249 1.00 0.00 N ATOM 1249 CA GLU A 78 21.186 -15.446 -22.803 1.00 0.00 C ATOM 1250 C GLU A 78 21.923 -15.260 -21.466 1.00 0.00 C ATOM 1251 O GLU A 78 22.083 -16.213 -20.698 1.00 0.00 O ATOM 1252 CB GLU A 78 22.128 -15.992 -23.901 1.00 0.00 C ATOM 1253 CG GLU A 78 21.465 -16.123 -25.294 1.00 0.00 C ATOM 1254 CD GLU A 78 20.209 -17.016 -25.326 1.00 0.00 C ATOM 1255 OE1 GLU A 78 20.346 -18.246 -25.475 1.00 0.00 O ATOM 1256 OE2 GLU A 78 19.076 -16.490 -25.190 1.00 0.00 O ATOM 0 H GLU A 78 21.188 -13.665 -23.911 1.00 0.00 H new ATOM 0 HA GLU A 78 20.392 -16.175 -22.638 1.00 0.00 H new ATOM 0 HB2 GLU A 78 22.993 -15.334 -23.983 1.00 0.00 H new ATOM 0 HB3 GLU A 78 22.499 -16.970 -23.593 1.00 0.00 H new ATOM 0 HG2 GLU A 78 21.196 -15.128 -25.649 1.00 0.00 H new ATOM 0 HG3 GLU A 78 22.198 -16.524 -25.994 1.00 0.00 H new ATOM 1263 N HIS A 79 22.367 -14.013 -21.198 1.00 0.00 N ATOM 1264 CA HIS A 79 22.869 -13.592 -19.869 1.00 0.00 C ATOM 1265 C HIS A 79 21.716 -13.568 -18.850 1.00 0.00 C ATOM 1266 O HIS A 79 21.951 -13.663 -17.640 1.00 0.00 O ATOM 1267 CB HIS A 79 23.575 -12.202 -19.935 1.00 0.00 C ATOM 1268 CG HIS A 79 24.993 -12.230 -20.454 1.00 0.00 C ATOM 1269 ND1 HIS A 79 25.853 -11.158 -20.330 1.00 0.00 N ATOM 1270 CD2 HIS A 79 25.691 -13.183 -21.120 1.00 0.00 C ATOM 1271 CE1 HIS A 79 27.006 -11.453 -20.890 1.00 0.00 C ATOM 1272 NE2 HIS A 79 26.941 -12.674 -21.379 1.00 0.00 N ATOM 0 H HIS A 79 22.388 -13.269 -21.896 1.00 0.00 H new ATOM 0 HA HIS A 79 23.613 -14.320 -19.545 1.00 0.00 H new ATOM 0 HB2 HIS A 79 22.985 -11.541 -20.570 1.00 0.00 H new ATOM 0 HB3 HIS A 79 23.578 -11.765 -18.936 1.00 0.00 H new ATOM 0 HD2 HIS A 79 25.330 -14.163 -21.396 1.00 0.00 H new ATOM 0 HE1 HIS A 79 27.865 -10.801 -20.941 1.00 0.00 H new ATOM 0 HE2 HIS A 79 27.692 -13.160 -21.868 1.00 0.00 H new ATOM 1281 N GLY A 80 20.471 -13.434 -19.350 1.00 0.00 N ATOM 1282 CA GLY A 80 19.283 -13.623 -18.508 1.00 0.00 C ATOM 1283 C GLY A 80 18.863 -12.341 -17.824 1.00 0.00 C ATOM 1284 O GLY A 80 18.594 -12.346 -16.616 1.00 0.00 O ATOM 0 H GLY A 80 20.268 -13.198 -20.321 1.00 0.00 H new ATOM 0 HA2 GLY A 80 18.460 -13.994 -19.120 1.00 0.00 H new ATOM 0 HA3 GLY A 80 19.489 -14.384 -17.756 1.00 0.00 H new