USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=21 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= -0.578 USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 37 THR OG1 : rot 73:sc= 1.09 USER MOD Set 2.2: A 40 GLN :FLIP amide:sc= 0.0514 F(o=-0.17,f=1.3) USER MOD Set 2.3: A 57 ASN : amide:sc= 0.182 K(o=1.3,f=-5.9!) USER MOD Single : A 13 MET CE :methyl -166:sc= 0 (180deg=-0.372) USER MOD Single : A 15 CYS SG : rot 43:sc= -0.107 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.32) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -61:sc= 1.39 USER MOD Single : A 32 LYS NZ :NH3+ 159:sc= 1.03 (180deg=0.705) USER MOD Single : A 33 ASN : amide:sc= -1.25 K(o=-1.2,f=-4.6!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0285) USER MOD Single : A 42 ASN : amide:sc= 0.582 K(o=0.58,f=0) USER MOD Single : A 50 HIS : no HE2:sc= 0.578 K(o=0.58,f=-1.9) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 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+ 171:sc= -0.017 (180deg=-0.126) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.0322 F(o=-2.4!,f=-0.032) USER MOD Single : A 65 ASN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 68 GLN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD Single : A 73 TYR OH : rot 168:sc= 0.836 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot -26:sc= -1.19! USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 194 N MET A 13 10.507 -1.415 -21.812 1.00 0.00 N ATOM 195 CA MET A 13 9.739 -1.374 -23.066 1.00 0.00 C ATOM 196 C MET A 13 10.557 -2.037 -24.193 1.00 0.00 C ATOM 197 O MET A 13 11.789 -2.095 -24.115 1.00 0.00 O ATOM 198 CB MET A 13 9.391 0.106 -23.423 1.00 0.00 C ATOM 199 CG MET A 13 10.556 0.925 -24.003 1.00 0.00 C ATOM 200 SD MET A 13 12.040 0.912 -22.961 1.00 0.00 S ATOM 201 CE MET A 13 13.350 0.879 -24.189 1.00 0.00 C ATOM 0 HA MET A 13 8.806 -1.925 -22.946 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.572 0.108 -24.142 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.027 0.605 -22.525 1.00 0.00 H new ATOM 0 HG2 MET A 13 10.810 0.533 -24.988 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.230 1.956 -24.144 1.00 0.00 H new ATOM 0 HE1 MET A 13 14.293 0.620 -23.708 1.00 0.00 H new ATOM 0 HE2 MET A 13 13.116 0.136 -24.951 1.00 0.00 H new ATOM 0 HE3 MET A 13 13.437 1.861 -24.654 1.00 0.00 H new ATOM 211 N GLY A 14 9.861 -2.535 -25.222 1.00 0.00 N ATOM 212 CA GLY A 14 10.504 -3.096 -26.407 1.00 0.00 C ATOM 213 C GLY A 14 11.268 -4.390 -26.142 1.00 0.00 C ATOM 214 O GLY A 14 12.417 -4.534 -26.550 1.00 0.00 O ATOM 0 H GLY A 14 8.842 -2.559 -25.253 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.745 -3.283 -27.166 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.192 -2.358 -26.819 1.00 0.00 H new ATOM 218 N CYS A 15 10.648 -5.326 -25.421 1.00 0.00 N ATOM 219 CA CYS A 15 11.234 -6.664 -25.209 1.00 0.00 C ATOM 220 C CYS A 15 10.883 -7.568 -26.418 1.00 0.00 C ATOM 221 O CYS A 15 9.833 -8.227 -26.441 1.00 0.00 O ATOM 222 CB CYS A 15 10.747 -7.263 -23.866 1.00 0.00 C ATOM 223 SG CYS A 15 8.951 -7.383 -23.704 1.00 0.00 S ATOM 0 H CYS A 15 9.742 -5.189 -24.972 1.00 0.00 H new ATOM 0 HA CYS A 15 12.320 -6.591 -25.143 1.00 0.00 H new ATOM 0 HB2 CYS A 15 11.177 -8.258 -23.750 1.00 0.00 H new ATOM 0 HB3 CYS A 15 11.132 -6.652 -23.050 1.00 0.00 H new ATOM 0 HG CYS A 15 8.444 -7.830 -24.814 1.00 0.00 H new ATOM 229 N TRP A 16 11.749 -7.539 -27.453 1.00 0.00 N ATOM 230 CA TRP A 16 11.481 -8.190 -28.760 1.00 0.00 C ATOM 231 C TRP A 16 11.996 -9.636 -28.793 1.00 0.00 C ATOM 232 O TRP A 16 12.671 -10.102 -27.863 1.00 0.00 O ATOM 233 CB TRP A 16 12.143 -7.388 -29.922 1.00 0.00 C ATOM 234 CG TRP A 16 11.907 -5.901 -29.848 1.00 0.00 C ATOM 235 CD1 TRP A 16 10.731 -5.231 -30.045 1.00 0.00 C ATOM 236 CD2 TRP A 16 12.886 -4.911 -29.535 1.00 0.00 C ATOM 237 NE1 TRP A 16 10.923 -3.888 -29.860 1.00 0.00 N ATOM 238 CE2 TRP A 16 12.243 -3.666 -29.550 1.00 0.00 C ATOM 239 CE3 TRP A 16 14.251 -4.962 -29.245 1.00 0.00 C ATOM 240 CZ2 TRP A 16 12.917 -2.483 -29.269 1.00 0.00 C ATOM 241 CZ3 TRP A 16 14.919 -3.789 -28.972 1.00 0.00 C ATOM 242 CH2 TRP A 16 14.253 -2.563 -28.985 1.00 0.00 C ATOM 0 H TRP A 16 12.652 -7.066 -27.410 1.00 0.00 H new ATOM 0 HA TRP A 16 10.399 -8.203 -28.891 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.217 -7.577 -29.915 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.760 -7.760 -30.872 1.00 0.00 H new ATOM 0 HD1 TRP A 16 9.791 -5.693 -30.307 1.00 0.00 H new ATOM 0 HE1 TRP A 16 10.203 -3.169 -29.939 1.00 0.00 H new ATOM 0 HE3 TRP A 16 14.775 -5.906 -29.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 12.403 -1.533 -29.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 15.974 -3.819 -28.744 1.00 0.00 H new ATOM 0 HH2 TRP A 16 14.803 -1.659 -28.767 1.00 0.00 H new ATOM 253 N SER A 17 11.635 -10.339 -29.877 1.00 0.00 N ATOM 254 CA SER A 17 12.243 -11.619 -30.247 1.00 0.00 C ATOM 255 C SER A 17 13.615 -11.368 -30.908 1.00 0.00 C ATOM 256 O SER A 17 13.870 -10.267 -31.427 1.00 0.00 O ATOM 257 CB SER A 17 11.304 -12.360 -31.228 1.00 0.00 C ATOM 258 OG SER A 17 10.005 -12.532 -30.672 1.00 0.00 O ATOM 0 H SER A 17 10.908 -10.031 -30.523 1.00 0.00 H new ATOM 0 HA SER A 17 12.389 -12.232 -29.357 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.232 -11.798 -32.159 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.728 -13.333 -31.475 1.00 0.00 H new ATOM 0 HG SER A 17 9.434 -13.001 -31.315 1.00 0.00 H new ATOM 264 N ILE A 18 14.482 -12.397 -30.898 1.00 0.00 N ATOM 265 CA ILE A 18 15.788 -12.359 -31.586 1.00 0.00 C ATOM 266 C ILE A 18 15.567 -12.135 -33.093 1.00 0.00 C ATOM 267 O ILE A 18 16.261 -11.336 -33.725 1.00 0.00 O ATOM 268 CB ILE A 18 16.590 -13.704 -31.375 1.00 0.00 C ATOM 269 CG1 ILE A 18 16.840 -13.992 -29.857 1.00 0.00 C ATOM 270 CG2 ILE A 18 17.918 -13.721 -32.182 1.00 0.00 C ATOM 271 CD1 ILE A 18 17.669 -12.955 -29.123 1.00 0.00 C ATOM 0 H ILE A 18 14.299 -13.276 -30.415 1.00 0.00 H new ATOM 0 HA ILE A 18 16.370 -11.541 -31.162 1.00 0.00 H new ATOM 0 HB ILE A 18 15.968 -14.510 -31.764 1.00 0.00 H new ATOM 0 HG12 ILE A 18 15.875 -14.080 -29.358 1.00 0.00 H new ATOM 0 HG13 ILE A 18 17.335 -14.959 -29.765 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.437 -14.663 -32.008 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.699 -13.618 -33.245 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.550 -12.893 -31.860 1.00 0.00 H new ATOM 0 HD11 ILE A 18 17.782 -13.251 -28.080 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.652 -12.880 -29.587 1.00 0.00 H new ATOM 0 HD13 ILE A 18 17.169 -11.988 -29.174 1.00 0.00 H new ATOM 283 N GLU A 19 14.560 -12.844 -33.633 1.00 0.00 N ATOM 284 CA GLU A 19 14.210 -12.791 -35.053 1.00 0.00 C ATOM 285 C GLU A 19 13.570 -11.444 -35.444 1.00 0.00 C ATOM 286 O GLU A 19 13.784 -10.964 -36.559 1.00 0.00 O ATOM 287 CB GLU A 19 13.326 -13.998 -35.432 1.00 0.00 C ATOM 288 CG GLU A 19 14.082 -15.343 -35.353 1.00 0.00 C ATOM 289 CD GLU A 19 13.267 -16.534 -35.883 1.00 0.00 C ATOM 290 OE1 GLU A 19 13.129 -16.661 -37.121 1.00 0.00 O ATOM 291 OE2 GLU A 19 12.759 -17.344 -35.073 1.00 0.00 O ATOM 0 H GLU A 19 13.967 -13.471 -33.089 1.00 0.00 H new ATOM 0 HA GLU A 19 15.131 -12.859 -35.632 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.462 -14.033 -34.768 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.945 -13.860 -36.444 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.008 -15.264 -35.922 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.360 -15.535 -34.317 1.00 0.00 H new ATOM 298 N HIS A 20 12.833 -10.808 -34.506 1.00 0.00 N ATOM 299 CA HIS A 20 12.273 -9.455 -34.737 1.00 0.00 C ATOM 300 C HIS A 20 13.421 -8.445 -34.912 1.00 0.00 C ATOM 301 O HIS A 20 13.399 -7.620 -35.823 1.00 0.00 O ATOM 302 CB HIS A 20 11.337 -9.014 -33.579 1.00 0.00 C ATOM 303 CG HIS A 20 10.667 -7.670 -33.813 1.00 0.00 C ATOM 304 ND1 HIS A 20 9.439 -7.539 -34.425 1.00 0.00 N ATOM 305 CD2 HIS A 20 11.070 -6.400 -33.528 1.00 0.00 C ATOM 306 CE1 HIS A 20 9.118 -6.263 -34.516 1.00 0.00 C ATOM 307 NE2 HIS A 20 10.089 -5.551 -33.979 1.00 0.00 N ATOM 0 H HIS A 20 12.613 -11.203 -33.592 1.00 0.00 H new ATOM 0 HA HIS A 20 11.672 -9.487 -35.646 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.568 -9.773 -33.436 1.00 0.00 H new ATOM 0 HB3 HIS A 20 11.914 -8.967 -32.655 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.989 -6.114 -33.039 1.00 0.00 H new ATOM 0 HE1 HIS A 20 8.214 -5.869 -34.956 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.109 -4.534 -33.910 1.00 0.00 H new ATOM 316 N VAL A 21 14.420 -8.557 -34.032 1.00 0.00 N ATOM 317 CA VAL A 21 15.627 -7.722 -34.064 1.00 0.00 C ATOM 318 C VAL A 21 16.375 -7.902 -35.403 1.00 0.00 C ATOM 319 O VAL A 21 16.429 -6.965 -36.186 1.00 0.00 O ATOM 320 CB VAL A 21 16.544 -8.044 -32.822 1.00 0.00 C ATOM 321 CG1 VAL A 21 17.963 -7.435 -32.946 1.00 0.00 C ATOM 322 CG2 VAL A 21 15.853 -7.565 -31.522 1.00 0.00 C ATOM 0 H VAL A 21 14.415 -9.235 -33.270 1.00 0.00 H new ATOM 0 HA VAL A 21 15.340 -6.673 -33.996 1.00 0.00 H new ATOM 0 HB VAL A 21 16.677 -9.125 -32.789 1.00 0.00 H new ATOM 0 HG11 VAL A 21 18.547 -7.690 -32.062 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.454 -7.835 -33.833 1.00 0.00 H new ATOM 0 HG13 VAL A 21 17.888 -6.351 -33.030 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.491 -7.790 -30.667 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.683 -6.490 -31.575 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.898 -8.078 -31.407 1.00 0.00 H new ATOM 332 N GLU A 22 16.847 -9.134 -35.693 1.00 0.00 N ATOM 333 CA GLU A 22 17.734 -9.416 -36.856 1.00 0.00 C ATOM 334 C GLU A 22 17.084 -9.050 -38.206 1.00 0.00 C ATOM 335 O GLU A 22 17.753 -8.504 -39.101 1.00 0.00 O ATOM 336 CB GLU A 22 18.166 -10.910 -36.869 1.00 0.00 C ATOM 337 CG GLU A 22 17.020 -11.910 -37.099 1.00 0.00 C ATOM 338 CD GLU A 22 17.456 -13.379 -37.143 1.00 0.00 C ATOM 339 OE1 GLU A 22 17.648 -13.988 -36.066 1.00 0.00 O ATOM 340 OE2 GLU A 22 17.602 -13.942 -38.253 1.00 0.00 O ATOM 0 H GLU A 22 16.629 -9.960 -35.135 1.00 0.00 H new ATOM 0 HA GLU A 22 18.612 -8.782 -36.734 1.00 0.00 H new ATOM 0 HB2 GLU A 22 18.914 -11.051 -37.649 1.00 0.00 H new ATOM 0 HB3 GLU A 22 18.648 -11.143 -35.919 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.283 -11.787 -36.306 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.523 -11.664 -38.037 1.00 0.00 H new ATOM 347 N GLN A 23 15.775 -9.346 -38.336 1.00 0.00 N ATOM 348 CA GLN A 23 15.037 -9.139 -39.589 1.00 0.00 C ATOM 349 C GLN A 23 14.715 -7.652 -39.786 1.00 0.00 C ATOM 350 O GLN A 23 14.945 -7.105 -40.866 1.00 0.00 O ATOM 351 CB GLN A 23 13.742 -10.001 -39.617 1.00 0.00 C ATOM 352 CG GLN A 23 14.005 -11.525 -39.649 1.00 0.00 C ATOM 353 CD GLN A 23 14.773 -11.995 -40.896 1.00 0.00 C ATOM 354 OE1 GLN A 23 14.624 -11.437 -41.990 1.00 0.00 O ATOM 355 NE2 GLN A 23 15.604 -13.015 -40.741 1.00 0.00 N ATOM 0 H GLN A 23 15.208 -9.731 -37.581 1.00 0.00 H new ATOM 0 HA GLN A 23 15.669 -9.460 -40.417 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.140 -9.764 -38.739 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.152 -9.725 -40.491 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.568 -11.806 -38.759 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.051 -12.050 -39.602 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.706 -13.455 -39.827 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.142 -13.360 -41.536 1.00 0.00 H new ATOM 364 N TYR A 24 14.237 -6.983 -38.722 1.00 0.00 N ATOM 365 CA TYR A 24 13.764 -5.587 -38.807 1.00 0.00 C ATOM 366 C TYR A 24 14.897 -4.578 -38.520 1.00 0.00 C ATOM 367 O TYR A 24 14.657 -3.377 -38.602 1.00 0.00 O ATOM 368 CB TYR A 24 12.560 -5.350 -37.843 1.00 0.00 C ATOM 369 CG TYR A 24 11.267 -6.107 -38.211 1.00 0.00 C ATOM 370 CD1 TYR A 24 11.195 -7.499 -38.142 1.00 0.00 C ATOM 371 CD2 TYR A 24 10.120 -5.424 -38.621 1.00 0.00 C ATOM 372 CE1 TYR A 24 10.035 -8.178 -38.468 1.00 0.00 C ATOM 373 CE2 TYR A 24 8.959 -6.099 -38.945 1.00 0.00 C ATOM 374 CZ TYR A 24 8.919 -7.472 -38.868 1.00 0.00 C ATOM 375 OH TYR A 24 7.758 -8.143 -39.198 1.00 0.00 O ATOM 0 H TYR A 24 14.167 -7.388 -37.788 1.00 0.00 H new ATOM 0 HA TYR A 24 13.428 -5.420 -39.830 1.00 0.00 H new ATOM 0 HB2 TYR A 24 12.859 -5.641 -36.836 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.342 -4.282 -37.815 1.00 0.00 H new ATOM 0 HD1 TYR A 24 12.064 -8.058 -37.827 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.141 -4.346 -38.686 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.003 -9.256 -38.410 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.084 -5.549 -39.258 1.00 0.00 H new ATOM 0 HH TYR A 24 7.069 -7.496 -39.457 1.00 0.00 H new ATOM 385 N LEU A 25 16.118 -5.059 -38.197 1.00 0.00 N ATOM 386 CA LEU A 25 17.281 -4.177 -37.922 1.00 0.00 C ATOM 387 C LEU A 25 17.626 -3.316 -39.152 1.00 0.00 C ATOM 388 O LEU A 25 18.042 -3.840 -40.190 1.00 0.00 O ATOM 389 CB LEU A 25 18.531 -5.001 -37.434 1.00 0.00 C ATOM 390 CG LEU A 25 18.878 -4.859 -35.915 1.00 0.00 C ATOM 391 CD1 LEU A 25 20.071 -5.739 -35.528 1.00 0.00 C ATOM 392 CD2 LEU A 25 19.137 -3.389 -35.525 1.00 0.00 C ATOM 0 H LEU A 25 16.327 -6.054 -38.120 1.00 0.00 H new ATOM 0 HA LEU A 25 16.999 -3.505 -37.111 1.00 0.00 H new ATOM 0 HB2 LEU A 25 18.358 -6.055 -37.653 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.398 -4.693 -38.018 1.00 0.00 H new ATOM 0 HG LEU A 25 18.008 -5.204 -35.356 1.00 0.00 H new ATOM 0 HD11 LEU A 25 20.285 -5.616 -34.466 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.834 -6.783 -35.732 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.944 -5.445 -36.110 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.375 -3.331 -34.463 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.973 -3.000 -36.106 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.246 -2.796 -35.730 1.00 0.00 H new ATOM 404 N GLY A 26 17.420 -1.994 -39.016 1.00 0.00 N ATOM 405 CA GLY A 26 17.665 -1.028 -40.095 1.00 0.00 C ATOM 406 C GLY A 26 16.396 -0.352 -40.608 1.00 0.00 C ATOM 407 O GLY A 26 16.485 0.614 -41.377 1.00 0.00 O ATOM 0 H GLY A 26 17.079 -1.568 -38.154 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.355 -0.264 -39.738 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.156 -1.538 -40.924 1.00 0.00 H new ATOM 411 N THR A 27 15.211 -0.837 -40.181 1.00 0.00 N ATOM 412 CA THR A 27 13.912 -0.280 -40.630 1.00 0.00 C ATOM 413 C THR A 27 13.426 0.838 -39.685 1.00 0.00 C ATOM 414 O THR A 27 14.145 1.254 -38.766 1.00 0.00 O ATOM 415 CB THR A 27 12.808 -1.392 -40.728 1.00 0.00 C ATOM 416 OG1 THR A 27 12.490 -1.911 -39.423 1.00 0.00 O ATOM 417 CG2 THR A 27 13.226 -2.549 -41.654 1.00 0.00 C ATOM 0 H THR A 27 15.124 -1.614 -39.525 1.00 0.00 H new ATOM 0 HA THR A 27 14.078 0.138 -41.623 1.00 0.00 H new ATOM 0 HB THR A 27 11.925 -0.919 -41.158 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.292 -2.308 -39.024 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.430 -3.293 -41.689 1.00 0.00 H new ATOM 0 HG22 THR A 27 13.408 -2.164 -42.658 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.137 -3.010 -41.272 1.00 0.00 H new ATOM 425 N ASP A 28 12.202 1.332 -39.942 1.00 0.00 N ATOM 426 CA ASP A 28 11.487 2.250 -39.036 1.00 0.00 C ATOM 427 C ASP A 28 10.940 1.495 -37.804 1.00 0.00 C ATOM 428 O ASP A 28 10.741 2.092 -36.742 1.00 0.00 O ATOM 429 CB ASP A 28 10.320 2.948 -39.791 1.00 0.00 C ATOM 430 CG ASP A 28 10.792 3.928 -40.890 1.00 0.00 C ATOM 431 OD1 ASP A 28 11.161 3.477 -42.000 1.00 0.00 O ATOM 432 OD2 ASP A 28 10.798 5.159 -40.654 1.00 0.00 O ATOM 0 H ASP A 28 11.678 1.105 -40.787 1.00 0.00 H new ATOM 0 HA ASP A 28 12.193 3.005 -38.691 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.684 2.187 -40.243 1.00 0.00 H new ATOM 0 HB3 ASP A 28 9.706 3.490 -39.072 1.00 0.00 H new ATOM 437 N GLU A 29 10.701 0.179 -37.969 1.00 0.00 N ATOM 438 CA GLU A 29 10.126 -0.689 -36.919 1.00 0.00 C ATOM 439 C GLU A 29 11.175 -1.058 -35.862 1.00 0.00 C ATOM 440 O GLU A 29 10.873 -1.109 -34.663 1.00 0.00 O ATOM 441 CB GLU A 29 9.525 -1.965 -37.553 1.00 0.00 C ATOM 442 CG GLU A 29 8.381 -1.693 -38.549 1.00 0.00 C ATOM 443 CD GLU A 29 7.200 -0.933 -37.915 1.00 0.00 C ATOM 444 OE1 GLU A 29 6.331 -1.584 -37.291 1.00 0.00 O ATOM 445 OE2 GLU A 29 7.143 0.316 -38.022 1.00 0.00 O ATOM 0 H GLU A 29 10.902 -0.315 -38.838 1.00 0.00 H new ATOM 0 HA GLU A 29 9.333 -0.134 -36.419 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.317 -2.511 -38.066 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.154 -2.613 -36.759 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.768 -1.117 -39.390 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.023 -2.641 -38.950 1.00 0.00 H new ATOM 452 N LEU A 30 12.406 -1.319 -36.321 1.00 0.00 N ATOM 453 CA LEU A 30 13.536 -1.633 -35.437 1.00 0.00 C ATOM 454 C LEU A 30 14.798 -0.953 -36.014 1.00 0.00 C ATOM 455 O LEU A 30 15.562 -1.588 -36.746 1.00 0.00 O ATOM 456 CB LEU A 30 13.685 -3.192 -35.292 1.00 0.00 C ATOM 457 CG LEU A 30 14.351 -3.758 -33.995 1.00 0.00 C ATOM 458 CD1 LEU A 30 15.841 -3.394 -33.870 1.00 0.00 C ATOM 459 CD2 LEU A 30 13.569 -3.310 -32.753 1.00 0.00 C ATOM 0 H LEU A 30 12.646 -1.318 -37.312 1.00 0.00 H new ATOM 0 HA LEU A 30 13.374 -1.248 -34.430 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.690 -3.630 -35.372 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.261 -3.551 -36.145 1.00 0.00 H new ATOM 0 HG LEU A 30 14.311 -4.845 -34.070 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.243 -3.817 -32.949 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.387 -3.797 -34.723 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.950 -2.310 -33.849 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.045 -3.712 -31.859 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.561 -2.221 -32.701 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.545 -3.678 -32.815 1.00 0.00 H new ATOM 471 N PRO A 31 14.990 0.384 -35.772 1.00 0.00 N ATOM 472 CA PRO A 31 16.261 1.061 -36.095 1.00 0.00 C ATOM 473 C PRO A 31 17.451 0.444 -35.345 1.00 0.00 C ATOM 474 O PRO A 31 17.289 -0.125 -34.255 1.00 0.00 O ATOM 475 CB PRO A 31 16.034 2.532 -35.652 1.00 0.00 C ATOM 476 CG PRO A 31 14.547 2.696 -35.644 1.00 0.00 C ATOM 477 CD PRO A 31 13.982 1.346 -35.246 1.00 0.00 C ATOM 0 HA PRO A 31 16.509 0.968 -37.152 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.459 2.720 -34.666 1.00 0.00 H new ATOM 0 HB3 PRO A 31 16.507 3.232 -36.341 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.243 3.470 -34.939 1.00 0.00 H new ATOM 0 HG3 PRO A 31 14.182 2.998 -36.626 1.00 0.00 H new ATOM 0 HD2 PRO A 31 13.869 1.260 -34.165 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.998 1.177 -35.683 1.00 0.00 H new ATOM 485 N LYS A 32 18.643 0.582 -35.939 1.00 0.00 N ATOM 486 CA LYS A 32 19.907 0.182 -35.305 1.00 0.00 C ATOM 487 C LYS A 32 20.099 0.949 -33.989 1.00 0.00 C ATOM 488 O LYS A 32 20.467 0.369 -32.968 1.00 0.00 O ATOM 489 CB LYS A 32 21.096 0.453 -36.262 1.00 0.00 C ATOM 490 CG LYS A 32 21.035 -0.318 -37.602 1.00 0.00 C ATOM 491 CD LYS A 32 22.235 0.009 -38.525 1.00 0.00 C ATOM 492 CE LYS A 32 22.284 1.495 -38.943 1.00 0.00 C ATOM 493 NZ LYS A 32 23.450 1.795 -39.810 1.00 0.00 N ATOM 0 H LYS A 32 18.759 0.974 -36.873 1.00 0.00 H new ATOM 0 HA LYS A 32 19.871 -0.886 -35.089 1.00 0.00 H new ATOM 0 HB2 LYS A 32 21.138 1.521 -36.475 1.00 0.00 H new ATOM 0 HB3 LYS A 32 22.023 0.193 -35.751 1.00 0.00 H new ATOM 0 HG2 LYS A 32 21.015 -1.389 -37.401 1.00 0.00 H new ATOM 0 HG3 LYS A 32 20.106 -0.073 -38.117 1.00 0.00 H new ATOM 0 HD2 LYS A 32 23.162 -0.250 -38.013 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.180 -0.613 -39.418 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.365 1.753 -39.470 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.326 2.120 -38.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 23.268 2.667 -40.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 24.297 1.921 -39.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 23.603 1.007 -40.471 1.00 0.00 H new ATOM 507 N ASN A 33 19.754 2.250 -34.031 1.00 0.00 N ATOM 508 CA ASN A 33 19.927 3.175 -32.896 1.00 0.00 C ATOM 509 C ASN A 33 19.009 2.771 -31.730 1.00 0.00 C ATOM 510 O ASN A 33 19.409 2.813 -30.571 1.00 0.00 O ATOM 511 CB ASN A 33 19.596 4.617 -33.344 1.00 0.00 C ATOM 512 CG ASN A 33 19.989 5.677 -32.310 1.00 0.00 C ATOM 513 OD1 ASN A 33 21.068 6.257 -32.385 1.00 0.00 O ATOM 514 ND2 ASN A 33 19.135 5.911 -31.324 1.00 0.00 N ATOM 0 H ASN A 33 19.346 2.690 -34.856 1.00 0.00 H new ATOM 0 HA ASN A 33 20.963 3.127 -32.560 1.00 0.00 H new ATOM 0 HB2 ASN A 33 20.110 4.826 -34.282 1.00 0.00 H new ATOM 0 HB3 ASN A 33 18.527 4.692 -33.543 1.00 0.00 H new ATOM 0 HD21 ASN A 33 19.367 6.590 -30.599 1.00 0.00 H new ATOM 0 HD22 ASN A 33 18.246 5.412 -31.290 1.00 0.00 H new ATOM 521 N ASP A 34 17.771 2.395 -32.084 1.00 0.00 N ATOM 522 CA ASP A 34 16.715 1.964 -31.135 1.00 0.00 C ATOM 523 C ASP A 34 17.140 0.694 -30.376 1.00 0.00 C ATOM 524 O ASP A 34 16.895 0.559 -29.169 1.00 0.00 O ATOM 525 CB ASP A 34 15.415 1.725 -31.941 1.00 0.00 C ATOM 526 CG ASP A 34 14.219 1.205 -31.118 1.00 0.00 C ATOM 527 OD1 ASP A 34 14.059 -0.020 -30.995 1.00 0.00 O ATOM 528 OD2 ASP A 34 13.411 2.026 -30.617 1.00 0.00 O ATOM 0 H ASP A 34 17.462 2.379 -33.056 1.00 0.00 H new ATOM 0 HA ASP A 34 16.549 2.738 -30.386 1.00 0.00 H new ATOM 0 HB2 ASP A 34 15.126 2.660 -32.420 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.626 1.011 -32.737 1.00 0.00 H new ATOM 533 N LEU A 35 17.801 -0.218 -31.107 1.00 0.00 N ATOM 534 CA LEU A 35 18.325 -1.483 -30.558 1.00 0.00 C ATOM 535 C LEU A 35 19.429 -1.184 -29.512 1.00 0.00 C ATOM 536 O LEU A 35 19.394 -1.694 -28.386 1.00 0.00 O ATOM 537 CB LEU A 35 18.845 -2.367 -31.744 1.00 0.00 C ATOM 538 CG LEU A 35 19.111 -3.892 -31.481 1.00 0.00 C ATOM 539 CD1 LEU A 35 20.425 -4.155 -30.730 1.00 0.00 C ATOM 540 CD2 LEU A 35 17.924 -4.541 -30.753 1.00 0.00 C ATOM 0 H LEU A 35 17.989 -0.099 -32.102 1.00 0.00 H new ATOM 0 HA LEU A 35 17.541 -2.037 -30.042 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.121 -2.292 -32.556 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.774 -1.926 -32.104 1.00 0.00 H new ATOM 0 HG LEU A 35 19.218 -4.357 -32.461 1.00 0.00 H new ATOM 0 HD11 LEU A 35 20.550 -5.227 -30.580 1.00 0.00 H new ATOM 0 HD12 LEU A 35 21.261 -3.771 -31.314 1.00 0.00 H new ATOM 0 HD13 LEU A 35 20.398 -3.654 -29.762 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.134 -5.597 -30.583 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.768 -4.044 -29.796 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.026 -4.443 -31.363 1.00 0.00 H new ATOM 552 N ILE A 36 20.387 -0.329 -29.915 1.00 0.00 N ATOM 553 CA ILE A 36 21.519 0.120 -29.059 1.00 0.00 C ATOM 554 C ILE A 36 21.008 0.820 -27.781 1.00 0.00 C ATOM 555 O ILE A 36 21.516 0.575 -26.675 1.00 0.00 O ATOM 556 CB ILE A 36 22.451 1.100 -29.877 1.00 0.00 C ATOM 557 CG1 ILE A 36 23.004 0.377 -31.152 1.00 0.00 C ATOM 558 CG2 ILE A 36 23.615 1.665 -29.013 1.00 0.00 C ATOM 559 CD1 ILE A 36 23.556 1.297 -32.230 1.00 0.00 C ATOM 0 H ILE A 36 20.404 0.077 -30.850 1.00 0.00 H new ATOM 0 HA ILE A 36 22.090 -0.758 -28.757 1.00 0.00 H new ATOM 0 HB ILE A 36 21.844 1.952 -30.184 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.792 -0.312 -30.847 1.00 0.00 H new ATOM 0 HG13 ILE A 36 22.204 -0.224 -31.585 1.00 0.00 H new ATOM 0 HG21 ILE A 36 24.227 2.333 -29.619 1.00 0.00 H new ATOM 0 HG22 ILE A 36 23.205 2.216 -28.167 1.00 0.00 H new ATOM 0 HG23 ILE A 36 24.229 0.842 -28.647 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.913 0.701 -33.069 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.770 1.970 -32.572 1.00 0.00 H new ATOM 0 HD13 ILE A 36 24.381 1.881 -31.822 1.00 0.00 H new ATOM 571 N THR A 37 19.972 1.662 -27.965 1.00 0.00 N ATOM 572 CA THR A 37 19.314 2.405 -26.880 1.00 0.00 C ATOM 573 C THR A 37 18.728 1.437 -25.833 1.00 0.00 C ATOM 574 O THR A 37 18.991 1.582 -24.641 1.00 0.00 O ATOM 575 CB THR A 37 18.206 3.357 -27.437 1.00 0.00 C ATOM 576 OG1 THR A 37 18.803 4.331 -28.315 1.00 0.00 O ATOM 577 CG2 THR A 37 17.442 4.088 -26.318 1.00 0.00 C ATOM 0 H THR A 37 19.566 1.845 -28.883 1.00 0.00 H new ATOM 0 HA THR A 37 20.069 3.022 -26.392 1.00 0.00 H new ATOM 0 HB THR A 37 17.490 2.738 -27.978 1.00 0.00 H new ATOM 0 HG1 THR A 37 19.061 3.899 -29.156 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.684 4.736 -26.758 1.00 0.00 H new ATOM 0 HG22 THR A 37 16.961 3.357 -25.668 1.00 0.00 H new ATOM 0 HG23 THR A 37 18.139 4.689 -25.734 1.00 0.00 H new ATOM 585 N TYR A 38 17.977 0.419 -26.303 1.00 0.00 N ATOM 586 CA TYR A 38 17.416 -0.637 -25.428 1.00 0.00 C ATOM 587 C TYR A 38 18.525 -1.304 -24.600 1.00 0.00 C ATOM 588 O TYR A 38 18.407 -1.433 -23.374 1.00 0.00 O ATOM 589 CB TYR A 38 16.691 -1.712 -26.272 1.00 0.00 C ATOM 590 CG TYR A 38 16.126 -2.903 -25.458 1.00 0.00 C ATOM 591 CD1 TYR A 38 16.892 -4.055 -25.200 1.00 0.00 C ATOM 592 CD2 TYR A 38 14.823 -2.879 -24.962 1.00 0.00 C ATOM 593 CE1 TYR A 38 16.371 -5.123 -24.494 1.00 0.00 C ATOM 594 CE2 TYR A 38 14.310 -3.946 -24.248 1.00 0.00 C ATOM 595 CZ TYR A 38 15.078 -5.060 -24.022 1.00 0.00 C ATOM 596 OH TYR A 38 14.539 -6.123 -23.340 1.00 0.00 O ATOM 0 H TYR A 38 17.743 0.304 -27.289 1.00 0.00 H new ATOM 0 HA TYR A 38 16.701 -0.166 -24.753 1.00 0.00 H new ATOM 0 HB2 TYR A 38 15.872 -1.238 -26.813 1.00 0.00 H new ATOM 0 HB3 TYR A 38 17.385 -2.097 -27.019 1.00 0.00 H new ATOM 0 HD1 TYR A 38 17.909 -4.106 -25.561 1.00 0.00 H new ATOM 0 HD2 TYR A 38 14.204 -2.012 -25.139 1.00 0.00 H new ATOM 0 HE1 TYR A 38 16.973 -6.001 -24.314 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.301 -3.902 -23.867 1.00 0.00 H new ATOM 0 HH TYR A 38 13.619 -5.911 -23.078 1.00 0.00 H new ATOM 606 N LEU A 39 19.606 -1.712 -25.302 1.00 0.00 N ATOM 607 CA LEU A 39 20.726 -2.458 -24.697 1.00 0.00 C ATOM 608 C LEU A 39 21.350 -1.670 -23.541 1.00 0.00 C ATOM 609 O LEU A 39 21.609 -2.232 -22.497 1.00 0.00 O ATOM 610 CB LEU A 39 21.810 -2.817 -25.750 1.00 0.00 C ATOM 611 CG LEU A 39 21.380 -3.828 -26.861 1.00 0.00 C ATOM 612 CD1 LEU A 39 22.536 -4.087 -27.845 1.00 0.00 C ATOM 613 CD2 LEU A 39 20.856 -5.153 -26.256 1.00 0.00 C ATOM 0 H LEU A 39 19.724 -1.533 -26.299 1.00 0.00 H new ATOM 0 HA LEU A 39 20.318 -3.389 -24.304 1.00 0.00 H new ATOM 0 HB2 LEU A 39 22.138 -1.896 -26.232 1.00 0.00 H new ATOM 0 HB3 LEU A 39 22.673 -3.228 -25.227 1.00 0.00 H new ATOM 0 HG LEU A 39 20.557 -3.377 -27.415 1.00 0.00 H new ATOM 0 HD11 LEU A 39 22.212 -4.794 -28.609 1.00 0.00 H new ATOM 0 HD12 LEU A 39 22.828 -3.150 -28.318 1.00 0.00 H new ATOM 0 HD13 LEU A 39 23.387 -4.501 -27.305 1.00 0.00 H new ATOM 0 HD21 LEU A 39 20.567 -5.830 -27.059 1.00 0.00 H new ATOM 0 HD22 LEU A 39 21.641 -5.615 -25.657 1.00 0.00 H new ATOM 0 HD23 LEU A 39 19.991 -4.948 -25.625 1.00 0.00 H new ATOM 625 N GLN A 40 21.541 -0.355 -23.727 1.00 0.00 N ATOM 626 CA GLN A 40 22.154 0.506 -22.694 1.00 0.00 C ATOM 627 C GLN A 40 21.145 0.908 -21.598 1.00 0.00 C ATOM 628 O GLN A 40 21.552 1.232 -20.481 1.00 0.00 O ATOM 629 CB GLN A 40 22.842 1.739 -23.345 1.00 0.00 C ATOM 630 CG GLN A 40 21.922 2.673 -24.150 1.00 0.00 C ATOM 631 CD GLN A 40 22.651 3.547 -25.185 1.00 0.00 C ATOM 632 OE1 GLN A 40 23.680 3.003 -25.831 1.00 0.00 O flip ATOM 633 NE2 GLN A 40 22.260 4.682 -25.442 1.00 0.00 N flip ATOM 0 H GLN A 40 21.281 0.139 -24.581 1.00 0.00 H new ATOM 0 HA GLN A 40 22.927 -0.075 -22.191 1.00 0.00 H new ATOM 0 HB2 GLN A 40 23.321 2.322 -22.558 1.00 0.00 H new ATOM 0 HB3 GLN A 40 23.634 1.383 -24.004 1.00 0.00 H new ATOM 0 HG2 GLN A 40 21.173 2.070 -24.664 1.00 0.00 H new ATOM 0 HG3 GLN A 40 21.387 3.322 -23.457 1.00 0.00 H new ATOM 0 HE21 GLN A 40 21.469 5.076 -24.933 1.00 0.00 H new ATOM 0 HE22 GLN A 40 22.726 5.230 -26.165 1.00 0.00 H new ATOM 642 N LYS A 41 19.832 0.854 -21.903 1.00 0.00 N ATOM 643 CA LYS A 41 18.767 1.145 -20.913 1.00 0.00 C ATOM 644 C LYS A 41 18.585 -0.016 -19.914 1.00 0.00 C ATOM 645 O LYS A 41 18.270 0.222 -18.741 1.00 0.00 O ATOM 646 CB LYS A 41 17.412 1.471 -21.607 1.00 0.00 C ATOM 647 CG LYS A 41 17.380 2.849 -22.310 1.00 0.00 C ATOM 648 CD LYS A 41 15.983 3.233 -22.853 1.00 0.00 C ATOM 649 CE LYS A 41 14.911 3.307 -21.750 1.00 0.00 C ATOM 650 NZ LYS A 41 15.265 4.251 -20.653 1.00 0.00 N ATOM 0 H LYS A 41 19.480 0.611 -22.829 1.00 0.00 H new ATOM 0 HA LYS A 41 19.089 2.026 -20.358 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.196 0.695 -22.341 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.617 1.436 -20.863 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.711 3.614 -21.608 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.093 2.844 -23.135 1.00 0.00 H new ATOM 0 HD2 LYS A 41 16.047 4.198 -23.356 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.677 2.503 -23.602 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.963 3.613 -22.193 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.760 2.312 -21.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.484 4.296 -19.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 16.127 3.920 -20.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.432 5.198 -21.050 1.00 0.00 H new ATOM 664 N ASN A 42 18.773 -1.264 -20.376 1.00 0.00 N ATOM 665 CA ASN A 42 18.615 -2.464 -19.518 1.00 0.00 C ATOM 666 C ASN A 42 19.966 -2.943 -18.933 1.00 0.00 C ATOM 667 O ASN A 42 20.004 -3.458 -17.809 1.00 0.00 O ATOM 668 CB ASN A 42 17.913 -3.598 -20.316 1.00 0.00 C ATOM 669 CG ASN A 42 16.444 -3.288 -20.632 1.00 0.00 C ATOM 670 OD1 ASN A 42 15.544 -3.658 -19.872 1.00 0.00 O ATOM 671 ND2 ASN A 42 16.190 -2.593 -21.737 1.00 0.00 N ATOM 0 H ASN A 42 19.035 -1.474 -21.339 1.00 0.00 H new ATOM 0 HA ASN A 42 17.988 -2.190 -18.669 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.452 -3.766 -21.249 1.00 0.00 H new ATOM 0 HB3 ASN A 42 17.968 -4.525 -19.745 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.229 -2.351 -21.977 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.956 -2.302 -22.344 1.00 0.00 H new ATOM 678 N ALA A 43 21.068 -2.776 -19.686 1.00 0.00 N ATOM 679 CA ALA A 43 22.423 -3.208 -19.242 1.00 0.00 C ATOM 680 C ALA A 43 23.149 -2.124 -18.446 1.00 0.00 C ATOM 681 O ALA A 43 22.869 -0.931 -18.595 1.00 0.00 O ATOM 682 CB ALA A 43 23.301 -3.603 -20.439 1.00 0.00 C ATOM 0 H ALA A 43 21.055 -2.344 -20.610 1.00 0.00 H new ATOM 0 HA ALA A 43 22.264 -4.071 -18.595 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.283 -3.913 -20.083 1.00 0.00 H new ATOM 0 HB2 ALA A 43 22.833 -4.427 -20.977 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.411 -2.749 -21.107 1.00 0.00 H new ATOM 688 N ASP A 44 24.095 -2.571 -17.606 1.00 0.00 N ATOM 689 CA ASP A 44 25.066 -1.693 -16.934 1.00 0.00 C ATOM 690 C ASP A 44 26.249 -1.409 -17.866 1.00 0.00 C ATOM 691 O ASP A 44 26.483 -2.164 -18.824 1.00 0.00 O ATOM 692 CB ASP A 44 25.542 -2.327 -15.604 1.00 0.00 C ATOM 693 CG ASP A 44 24.384 -2.567 -14.616 1.00 0.00 C ATOM 694 OD1 ASP A 44 23.976 -1.617 -13.915 1.00 0.00 O ATOM 695 OD2 ASP A 44 23.860 -3.699 -14.553 1.00 0.00 O ATOM 0 H ASP A 44 24.209 -3.557 -17.372 1.00 0.00 H new ATOM 0 HA ASP A 44 24.582 -0.746 -16.696 1.00 0.00 H new ATOM 0 HB2 ASP A 44 26.038 -3.275 -15.814 1.00 0.00 H new ATOM 0 HB3 ASP A 44 26.282 -1.676 -15.139 1.00 0.00 H new ATOM 700 N ALA A 45 27.001 -0.335 -17.542 1.00 0.00 N ATOM 701 CA ALA A 45 28.032 0.259 -18.424 1.00 0.00 C ATOM 702 C ALA A 45 29.027 -0.771 -19.000 1.00 0.00 C ATOM 703 O ALA A 45 29.457 -0.624 -20.142 1.00 0.00 O ATOM 704 CB ALA A 45 28.781 1.367 -17.679 1.00 0.00 C ATOM 0 H ALA A 45 26.909 0.151 -16.650 1.00 0.00 H new ATOM 0 HA ALA A 45 27.503 0.676 -19.281 1.00 0.00 H new ATOM 0 HB1 ALA A 45 29.537 1.799 -18.334 1.00 0.00 H new ATOM 0 HB2 ALA A 45 28.077 2.142 -17.377 1.00 0.00 H new ATOM 0 HB3 ALA A 45 29.262 0.950 -16.795 1.00 0.00 H new ATOM 710 N ALA A 46 29.322 -1.826 -18.212 1.00 0.00 N ATOM 711 CA ALA A 46 30.282 -2.905 -18.576 1.00 0.00 C ATOM 712 C ALA A 46 29.964 -3.528 -19.950 1.00 0.00 C ATOM 713 O ALA A 46 30.862 -3.735 -20.784 1.00 0.00 O ATOM 714 CB ALA A 46 30.266 -3.998 -17.492 1.00 0.00 C ATOM 0 H ALA A 46 28.899 -1.960 -17.294 1.00 0.00 H new ATOM 0 HA ALA A 46 31.273 -2.457 -18.642 1.00 0.00 H new ATOM 0 HB1 ALA A 46 30.969 -4.787 -17.760 1.00 0.00 H new ATOM 0 HB2 ALA A 46 30.555 -3.565 -16.534 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.263 -4.417 -17.413 1.00 0.00 H new ATOM 720 N PHE A 47 28.665 -3.774 -20.179 1.00 0.00 N ATOM 721 CA PHE A 47 28.171 -4.441 -21.400 1.00 0.00 C ATOM 722 C PHE A 47 28.394 -3.544 -22.633 1.00 0.00 C ATOM 723 O PHE A 47 28.794 -4.013 -23.705 1.00 0.00 O ATOM 724 CB PHE A 47 26.669 -4.772 -21.228 1.00 0.00 C ATOM 725 CG PHE A 47 26.077 -5.668 -22.322 1.00 0.00 C ATOM 726 CD1 PHE A 47 26.205 -7.051 -22.245 1.00 0.00 C ATOM 727 CD2 PHE A 47 25.398 -5.130 -23.422 1.00 0.00 C ATOM 728 CE1 PHE A 47 25.678 -7.866 -23.229 1.00 0.00 C ATOM 729 CE2 PHE A 47 24.870 -5.948 -24.405 1.00 0.00 C ATOM 730 CZ PHE A 47 25.014 -7.315 -24.306 1.00 0.00 C ATOM 0 H PHE A 47 27.925 -3.517 -19.525 1.00 0.00 H new ATOM 0 HA PHE A 47 28.725 -5.366 -21.556 1.00 0.00 H new ATOM 0 HB2 PHE A 47 26.527 -5.259 -20.263 1.00 0.00 H new ATOM 0 HB3 PHE A 47 26.107 -3.839 -21.199 1.00 0.00 H new ATOM 0 HD1 PHE A 47 26.722 -7.493 -21.406 1.00 0.00 H new ATOM 0 HD2 PHE A 47 25.285 -4.059 -23.504 1.00 0.00 H new ATOM 0 HE1 PHE A 47 25.786 -8.938 -23.155 1.00 0.00 H new ATOM 0 HE2 PHE A 47 24.347 -5.517 -25.246 1.00 0.00 H new ATOM 0 HZ PHE A 47 24.606 -7.957 -25.073 1.00 0.00 H new ATOM 740 N LEU A 48 28.150 -2.242 -22.444 1.00 0.00 N ATOM 741 CA LEU A 48 28.279 -1.237 -23.508 1.00 0.00 C ATOM 742 C LEU A 48 29.761 -0.921 -23.781 1.00 0.00 C ATOM 743 O LEU A 48 30.131 -0.558 -24.888 1.00 0.00 O ATOM 744 CB LEU A 48 27.486 0.051 -23.155 1.00 0.00 C ATOM 745 CG LEU A 48 25.954 -0.118 -22.849 1.00 0.00 C ATOM 746 CD1 LEU A 48 25.282 -1.167 -23.766 1.00 0.00 C ATOM 747 CD2 LEU A 48 25.679 -0.416 -21.365 1.00 0.00 C ATOM 0 H LEU A 48 27.857 -1.854 -21.547 1.00 0.00 H new ATOM 0 HA LEU A 48 27.850 -1.650 -24.421 1.00 0.00 H new ATOM 0 HB2 LEU A 48 27.957 0.512 -22.286 1.00 0.00 H new ATOM 0 HB3 LEU A 48 27.591 0.752 -23.983 1.00 0.00 H new ATOM 0 HG LEU A 48 25.498 0.846 -23.072 1.00 0.00 H new ATOM 0 HD11 LEU A 48 24.224 -1.246 -23.514 1.00 0.00 H new ATOM 0 HD12 LEU A 48 25.385 -0.860 -24.807 1.00 0.00 H new ATOM 0 HD13 LEU A 48 25.762 -2.135 -23.624 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.606 -0.524 -21.208 1.00 0.00 H new ATOM 0 HD22 LEU A 48 26.182 -1.340 -21.080 1.00 0.00 H new ATOM 0 HD23 LEU A 48 26.054 0.404 -20.753 1.00 0.00 H new ATOM 759 N ARG A 49 30.600 -1.071 -22.757 1.00 0.00 N ATOM 760 CA ARG A 49 32.063 -0.900 -22.879 1.00 0.00 C ATOM 761 C ARG A 49 32.699 -2.141 -23.537 1.00 0.00 C ATOM 762 O ARG A 49 33.822 -2.070 -24.047 1.00 0.00 O ATOM 763 CB ARG A 49 32.679 -0.613 -21.488 1.00 0.00 C ATOM 764 CG ARG A 49 32.220 0.729 -20.862 1.00 0.00 C ATOM 765 CD ARG A 49 32.656 0.893 -19.394 1.00 0.00 C ATOM 766 NE ARG A 49 32.023 2.064 -18.748 1.00 0.00 N ATOM 767 CZ ARG A 49 32.447 2.670 -17.626 1.00 0.00 C ATOM 768 NH1 ARG A 49 33.583 2.304 -17.044 1.00 0.00 N ATOM 769 NH2 ARG A 49 31.720 3.650 -17.100 1.00 0.00 N ATOM 0 H ARG A 49 30.293 -1.315 -21.815 1.00 0.00 H new ATOM 0 HA ARG A 49 32.272 -0.046 -23.523 1.00 0.00 H new ATOM 0 HB2 ARG A 49 32.418 -1.426 -20.811 1.00 0.00 H new ATOM 0 HB3 ARG A 49 33.765 -0.608 -21.577 1.00 0.00 H new ATOM 0 HG2 ARG A 49 32.625 1.554 -21.449 1.00 0.00 H new ATOM 0 HG3 ARG A 49 31.134 0.798 -20.922 1.00 0.00 H new ATOM 0 HD2 ARG A 49 32.399 -0.009 -18.838 1.00 0.00 H new ATOM 0 HD3 ARG A 49 33.740 0.998 -19.349 1.00 0.00 H new ATOM 0 HE ARG A 49 31.189 2.446 -19.195 1.00 0.00 H new ATOM 0 HH11 ARG A 49 34.145 1.555 -17.448 1.00 0.00 H new ATOM 0 HH12 ARG A 49 33.894 2.772 -16.193 1.00 0.00 H new ATOM 0 HH21 ARG A 49 30.849 3.936 -17.548 1.00 0.00 H new ATOM 0 HH22 ARG A 49 32.033 4.117 -16.249 1.00 0.00 H new ATOM 783 N HIS A 50 31.972 -3.279 -23.502 1.00 0.00 N ATOM 784 CA HIS A 50 32.358 -4.500 -24.238 1.00 0.00 C ATOM 785 C HIS A 50 32.060 -4.346 -25.745 1.00 0.00 C ATOM 786 O HIS A 50 32.951 -4.497 -26.578 1.00 0.00 O ATOM 787 CB HIS A 50 31.630 -5.752 -23.671 1.00 0.00 C ATOM 788 CG HIS A 50 31.925 -7.028 -24.432 1.00 0.00 C ATOM 789 ND1 HIS A 50 30.954 -7.775 -25.059 1.00 0.00 N ATOM 790 CD2 HIS A 50 33.098 -7.657 -24.693 1.00 0.00 C ATOM 791 CE1 HIS A 50 31.509 -8.795 -25.682 1.00 0.00 C ATOM 792 NE2 HIS A 50 32.810 -8.748 -25.474 1.00 0.00 N ATOM 0 H HIS A 50 31.109 -3.376 -22.967 1.00 0.00 H new ATOM 0 HA HIS A 50 33.431 -4.641 -24.106 1.00 0.00 H new ATOM 0 HB2 HIS A 50 31.918 -5.887 -22.628 1.00 0.00 H new ATOM 0 HB3 HIS A 50 30.555 -5.573 -23.684 1.00 0.00 H new ATOM 0 HD1 HIS A 50 29.955 -7.570 -25.044 1.00 0.00 H new ATOM 0 HD2 HIS A 50 34.077 -7.355 -24.350 1.00 0.00 H new ATOM 0 HE1 HIS A 50 30.988 -9.541 -26.263 1.00 0.00 H new ATOM 801 N TRP A 51 30.794 -4.043 -26.075 1.00 0.00 N ATOM 802 CA TRP A 51 30.318 -3.965 -27.480 1.00 0.00 C ATOM 803 C TRP A 51 30.572 -2.580 -28.119 1.00 0.00 C ATOM 804 O TRP A 51 30.138 -2.340 -29.252 1.00 0.00 O ATOM 805 CB TRP A 51 28.809 -4.326 -27.536 1.00 0.00 C ATOM 806 CG TRP A 51 28.517 -5.762 -27.190 1.00 0.00 C ATOM 807 CD1 TRP A 51 28.115 -6.264 -25.987 1.00 0.00 C ATOM 808 CD2 TRP A 51 28.624 -6.878 -28.078 1.00 0.00 C ATOM 809 NE1 TRP A 51 27.966 -7.624 -26.072 1.00 0.00 N ATOM 810 CE2 TRP A 51 28.273 -8.025 -27.350 1.00 0.00 C ATOM 811 CE3 TRP A 51 28.974 -7.014 -29.427 1.00 0.00 C ATOM 812 CZ2 TRP A 51 28.279 -9.291 -27.922 1.00 0.00 C ATOM 813 CZ3 TRP A 51 28.973 -8.271 -29.991 1.00 0.00 C ATOM 814 CH2 TRP A 51 28.624 -9.398 -29.240 1.00 0.00 C ATOM 0 H TRP A 51 30.069 -3.845 -25.385 1.00 0.00 H new ATOM 0 HA TRP A 51 30.892 -4.684 -28.065 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.264 -3.678 -26.850 1.00 0.00 H new ATOM 0 HB3 TRP A 51 28.432 -4.119 -28.537 1.00 0.00 H new ATOM 0 HD1 TRP A 51 27.940 -5.676 -25.098 1.00 0.00 H new ATOM 0 HE1 TRP A 51 27.675 -8.238 -25.311 1.00 0.00 H new ATOM 0 HE3 TRP A 51 29.240 -6.148 -30.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 28.019 -10.164 -27.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 29.246 -8.388 -31.029 1.00 0.00 H new ATOM 0 HH2 TRP A 51 28.627 -10.370 -29.710 1.00 0.00 H new ATOM 825 N LYS A 52 31.260 -1.686 -27.369 1.00 0.00 N ATOM 826 CA LYS A 52 31.638 -0.314 -27.817 1.00 0.00 C ATOM 827 C LYS A 52 30.382 0.583 -27.997 1.00 0.00 C ATOM 828 O LYS A 52 30.429 1.620 -28.670 1.00 0.00 O ATOM 829 CB LYS A 52 32.515 -0.345 -29.115 1.00 0.00 C ATOM 830 CG LYS A 52 33.793 -1.242 -29.067 1.00 0.00 C ATOM 831 CD LYS A 52 35.024 -0.612 -28.347 1.00 0.00 C ATOM 832 CE LYS A 52 34.962 -0.665 -26.809 1.00 0.00 C ATOM 833 NZ LYS A 52 36.167 -0.064 -26.186 1.00 0.00 N ATOM 0 H LYS A 52 31.575 -1.896 -26.422 1.00 0.00 H new ATOM 0 HA LYS A 52 32.251 0.128 -27.031 1.00 0.00 H new ATOM 0 HB2 LYS A 52 31.890 -0.684 -29.942 1.00 0.00 H new ATOM 0 HB3 LYS A 52 32.822 0.675 -29.345 1.00 0.00 H new ATOM 0 HG2 LYS A 52 33.541 -2.178 -28.568 1.00 0.00 H new ATOM 0 HG3 LYS A 52 34.079 -1.492 -30.088 1.00 0.00 H new ATOM 0 HD2 LYS A 52 35.926 -1.127 -28.679 1.00 0.00 H new ATOM 0 HD3 LYS A 52 35.118 0.428 -28.658 1.00 0.00 H new ATOM 0 HE2 LYS A 52 34.073 -0.138 -26.463 1.00 0.00 H new ATOM 0 HE3 LYS A 52 34.864 -1.701 -26.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 36.087 -0.119 -25.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 37.013 -0.583 -26.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 36.247 0.932 -26.474 1.00 0.00 H new ATOM 847 N LEU A 53 29.275 0.187 -27.326 1.00 0.00 N ATOM 848 CA LEU A 53 27.999 0.933 -27.322 1.00 0.00 C ATOM 849 C LEU A 53 28.033 2.075 -26.261 1.00 0.00 C ATOM 850 O LEU A 53 27.036 2.777 -26.068 1.00 0.00 O ATOM 851 CB LEU A 53 26.809 -0.028 -27.023 1.00 0.00 C ATOM 852 CG LEU A 53 26.787 -1.388 -27.785 1.00 0.00 C ATOM 853 CD1 LEU A 53 25.639 -2.288 -27.293 1.00 0.00 C ATOM 854 CD2 LEU A 53 26.723 -1.206 -29.313 1.00 0.00 C ATOM 0 H LEU A 53 29.244 -0.666 -26.768 1.00 0.00 H new ATOM 0 HA LEU A 53 27.861 1.374 -28.309 1.00 0.00 H new ATOM 0 HB2 LEU A 53 26.805 -0.239 -25.954 1.00 0.00 H new ATOM 0 HB3 LEU A 53 25.882 0.501 -27.247 1.00 0.00 H new ATOM 0 HG LEU A 53 27.731 -1.884 -27.561 1.00 0.00 H new ATOM 0 HD11 LEU A 53 25.652 -3.228 -27.844 1.00 0.00 H new ATOM 0 HD12 LEU A 53 25.765 -2.489 -26.229 1.00 0.00 H new ATOM 0 HD13 LEU A 53 24.686 -1.784 -27.457 1.00 0.00 H new ATOM 0 HD21 LEU A 53 26.710 -2.183 -29.796 1.00 0.00 H new ATOM 0 HD22 LEU A 53 25.818 -0.659 -29.577 1.00 0.00 H new ATOM 0 HD23 LEU A 53 27.596 -0.647 -29.650 1.00 0.00 H new ATOM 866 N THR A 54 29.183 2.222 -25.567 1.00 0.00 N ATOM 867 CA THR A 54 29.397 3.246 -24.518 1.00 0.00 C ATOM 868 C THR A 54 29.507 4.681 -25.096 1.00 0.00 C ATOM 869 O THR A 54 29.263 5.659 -24.376 1.00 0.00 O ATOM 870 CB THR A 54 30.669 2.893 -23.666 1.00 0.00 C ATOM 871 OG1 THR A 54 30.890 3.878 -22.646 1.00 0.00 O ATOM 872 CG2 THR A 54 31.941 2.751 -24.523 1.00 0.00 C ATOM 0 H THR A 54 29.998 1.628 -25.720 1.00 0.00 H new ATOM 0 HA THR A 54 28.517 3.235 -23.874 1.00 0.00 H new ATOM 0 HB THR A 54 30.468 1.925 -23.207 1.00 0.00 H new ATOM 0 HG1 THR A 54 31.686 3.638 -22.127 1.00 0.00 H new ATOM 0 HG21 THR A 54 32.787 2.507 -23.881 1.00 0.00 H new ATOM 0 HG22 THR A 54 31.800 1.956 -25.255 1.00 0.00 H new ATOM 0 HG23 THR A 54 32.138 3.690 -25.041 1.00 0.00 H new ATOM 880 N GLY A 55 29.857 4.795 -26.398 1.00 0.00 N ATOM 881 CA GLY A 55 29.989 6.103 -27.069 1.00 0.00 C ATOM 882 C GLY A 55 28.636 6.725 -27.445 1.00 0.00 C ATOM 883 O GLY A 55 27.583 6.262 -26.980 1.00 0.00 O ATOM 0 H GLY A 55 30.052 3.996 -27.002 1.00 0.00 H new ATOM 0 HA2 GLY A 55 30.528 6.788 -26.414 1.00 0.00 H new ATOM 0 HA3 GLY A 55 30.591 5.984 -27.970 1.00 0.00 H new ATOM 887 N THR A 56 28.658 7.792 -28.277 1.00 0.00 N ATOM 888 CA THR A 56 27.423 8.416 -28.809 1.00 0.00 C ATOM 889 C THR A 56 26.752 7.484 -29.844 1.00 0.00 C ATOM 890 O THR A 56 27.421 6.989 -30.762 1.00 0.00 O ATOM 891 CB THR A 56 27.700 9.843 -29.423 1.00 0.00 C ATOM 892 OG1 THR A 56 26.487 10.400 -29.970 1.00 0.00 O ATOM 893 CG2 THR A 56 28.798 9.832 -30.507 1.00 0.00 C ATOM 0 H THR A 56 29.518 8.239 -28.595 1.00 0.00 H new ATOM 0 HA THR A 56 26.737 8.559 -27.974 1.00 0.00 H new ATOM 0 HB THR A 56 28.061 10.465 -28.603 1.00 0.00 H new ATOM 0 HG1 THR A 56 26.674 11.286 -30.346 1.00 0.00 H new ATOM 0 HG21 THR A 56 28.942 10.842 -30.890 1.00 0.00 H new ATOM 0 HG22 THR A 56 29.732 9.471 -30.075 1.00 0.00 H new ATOM 0 HG23 THR A 56 28.497 9.174 -31.323 1.00 0.00 H new ATOM 901 N ASN A 57 25.427 7.251 -29.668 1.00 0.00 N ATOM 902 CA ASN A 57 24.632 6.279 -30.468 1.00 0.00 C ATOM 903 C ASN A 57 24.707 6.517 -31.981 1.00 0.00 C ATOM 904 O ASN A 57 24.540 5.575 -32.752 1.00 0.00 O ATOM 905 CB ASN A 57 23.148 6.237 -29.993 1.00 0.00 C ATOM 906 CG ASN A 57 22.924 5.417 -28.720 1.00 0.00 C ATOM 907 OD1 ASN A 57 23.825 5.258 -27.896 1.00 0.00 O ATOM 908 ND2 ASN A 57 21.720 4.885 -28.554 1.00 0.00 N ATOM 0 H ASN A 57 24.874 7.736 -28.961 1.00 0.00 H new ATOM 0 HA ASN A 57 25.091 5.307 -30.288 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.803 7.257 -29.821 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.533 5.823 -30.792 1.00 0.00 H new ATOM 0 HD21 ASN A 57 21.520 4.326 -27.725 1.00 0.00 H new ATOM 0 HD22 ASN A 57 20.995 5.035 -29.255 1.00 0.00 H new ATOM 915 N LYS A 58 24.972 7.765 -32.388 1.00 0.00 N ATOM 916 CA LYS A 58 25.121 8.145 -33.810 1.00 0.00 C ATOM 917 C LYS A 58 26.343 7.435 -34.454 1.00 0.00 C ATOM 918 O LYS A 58 26.231 6.765 -35.508 1.00 0.00 O ATOM 919 CB LYS A 58 25.254 9.691 -33.904 1.00 0.00 C ATOM 920 CG LYS A 58 25.362 10.256 -35.341 1.00 0.00 C ATOM 921 CD LYS A 58 25.326 11.807 -35.376 1.00 0.00 C ATOM 922 CE LYS A 58 23.963 12.383 -34.944 1.00 0.00 C ATOM 923 NZ LYS A 58 23.978 13.866 -34.878 1.00 0.00 N ATOM 0 H LYS A 58 25.091 8.546 -31.743 1.00 0.00 H new ATOM 0 HA LYS A 58 24.239 7.825 -34.365 1.00 0.00 H new ATOM 0 HB2 LYS A 58 24.391 10.144 -33.416 1.00 0.00 H new ATOM 0 HB3 LYS A 58 26.136 9.999 -33.342 1.00 0.00 H new ATOM 0 HG2 LYS A 58 26.289 9.907 -35.796 1.00 0.00 H new ATOM 0 HG3 LYS A 58 24.544 9.863 -35.944 1.00 0.00 H new ATOM 0 HD2 LYS A 58 26.105 12.199 -34.722 1.00 0.00 H new ATOM 0 HD3 LYS A 58 25.556 12.149 -36.385 1.00 0.00 H new ATOM 0 HE2 LYS A 58 23.195 12.060 -35.646 1.00 0.00 H new ATOM 0 HE3 LYS A 58 23.693 11.980 -33.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 23.042 14.210 -34.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 24.693 14.176 -34.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 24.210 14.253 -35.815 1.00 0.00 H new ATOM 937 N SER A 59 27.497 7.547 -33.777 1.00 0.00 N ATOM 938 CA SER A 59 28.752 6.928 -34.234 1.00 0.00 C ATOM 939 C SER A 59 28.660 5.390 -34.179 1.00 0.00 C ATOM 940 O SER A 59 29.197 4.698 -35.053 1.00 0.00 O ATOM 941 CB SER A 59 29.933 7.424 -33.376 1.00 0.00 C ATOM 942 OG SER A 59 30.000 8.839 -33.375 1.00 0.00 O ATOM 0 H SER A 59 27.587 8.065 -32.903 1.00 0.00 H new ATOM 0 HA SER A 59 28.920 7.221 -35.270 1.00 0.00 H new ATOM 0 HB2 SER A 59 29.823 7.061 -32.354 1.00 0.00 H new ATOM 0 HB3 SER A 59 30.866 7.012 -33.762 1.00 0.00 H new ATOM 0 HG SER A 59 30.756 9.130 -32.823 1.00 0.00 H new ATOM 948 N ILE A 60 27.931 4.879 -33.162 1.00 0.00 N ATOM 949 CA ILE A 60 27.768 3.431 -32.939 1.00 0.00 C ATOM 950 C ILE A 60 26.974 2.786 -34.090 1.00 0.00 C ATOM 951 O ILE A 60 27.444 1.852 -34.700 1.00 0.00 O ATOM 952 CB ILE A 60 27.047 3.112 -31.583 1.00 0.00 C ATOM 953 CG1 ILE A 60 27.746 3.821 -30.389 1.00 0.00 C ATOM 954 CG2 ILE A 60 26.991 1.586 -31.342 1.00 0.00 C ATOM 955 CD1 ILE A 60 26.955 3.804 -29.098 1.00 0.00 C ATOM 0 H ILE A 60 27.443 5.457 -32.478 1.00 0.00 H new ATOM 0 HA ILE A 60 28.774 3.012 -32.899 1.00 0.00 H new ATOM 0 HB ILE A 60 26.029 3.494 -31.652 1.00 0.00 H new ATOM 0 HG12 ILE A 60 28.711 3.345 -30.215 1.00 0.00 H new ATOM 0 HG13 ILE A 60 27.946 4.857 -30.664 1.00 0.00 H new ATOM 0 HG21 ILE A 60 26.487 1.385 -30.396 1.00 0.00 H new ATOM 0 HG22 ILE A 60 26.442 1.109 -32.154 1.00 0.00 H new ATOM 0 HG23 ILE A 60 28.004 1.186 -31.305 1.00 0.00 H new ATOM 0 HD11 ILE A 60 27.517 4.320 -28.320 1.00 0.00 H new ATOM 0 HD12 ILE A 60 26.000 4.307 -29.250 1.00 0.00 H new ATOM 0 HD13 ILE A 60 26.777 2.773 -28.794 1.00 0.00 H new ATOM 967 N ARG A 61 25.764 3.303 -34.376 1.00 0.00 N ATOM 968 CA ARG A 61 24.895 2.767 -35.458 1.00 0.00 C ATOM 969 C ARG A 61 25.584 2.875 -36.839 1.00 0.00 C ATOM 970 O ARG A 61 25.345 2.043 -37.720 1.00 0.00 O ATOM 971 CB ARG A 61 23.526 3.509 -35.479 1.00 0.00 C ATOM 972 CG ARG A 61 23.664 5.031 -35.668 1.00 0.00 C ATOM 973 CD ARG A 61 22.355 5.811 -35.548 1.00 0.00 C ATOM 974 NE ARG A 61 21.505 5.655 -36.735 1.00 0.00 N ATOM 975 CZ ARG A 61 21.072 6.661 -37.516 1.00 0.00 C ATOM 976 NH1 ARG A 61 21.414 7.917 -37.250 1.00 0.00 N ATOM 977 NH2 ARG A 61 20.295 6.401 -38.547 1.00 0.00 N ATOM 0 H ARG A 61 25.359 4.094 -33.875 1.00 0.00 H new ATOM 0 HA ARG A 61 24.720 1.711 -35.250 1.00 0.00 H new ATOM 0 HB2 ARG A 61 22.913 3.104 -36.284 1.00 0.00 H new ATOM 0 HB3 ARG A 61 22.999 3.312 -34.546 1.00 0.00 H new ATOM 0 HG2 ARG A 61 24.368 5.413 -34.928 1.00 0.00 H new ATOM 0 HG3 ARG A 61 24.097 5.224 -36.649 1.00 0.00 H new ATOM 0 HD2 ARG A 61 21.811 5.471 -34.667 1.00 0.00 H new ATOM 0 HD3 ARG A 61 22.576 6.868 -35.398 1.00 0.00 H new ATOM 0 HE ARG A 61 21.220 4.709 -36.987 1.00 0.00 H new ATOM 0 HH11 ARG A 61 22.009 8.125 -36.448 1.00 0.00 H new ATOM 0 HH12 ARG A 61 21.081 8.674 -37.848 1.00 0.00 H new ATOM 0 HH21 ARG A 61 20.023 5.439 -38.751 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.965 7.161 -39.141 1.00 0.00 H new ATOM 991 N LYS A 62 26.446 3.905 -37.006 1.00 0.00 N ATOM 992 CA LYS A 62 27.199 4.111 -38.259 1.00 0.00 C ATOM 993 C LYS A 62 28.286 3.012 -38.437 1.00 0.00 C ATOM 994 O LYS A 62 28.385 2.389 -39.503 1.00 0.00 O ATOM 995 CB LYS A 62 27.816 5.551 -38.267 1.00 0.00 C ATOM 996 CG LYS A 62 28.045 6.192 -39.664 1.00 0.00 C ATOM 997 CD LYS A 62 29.146 5.508 -40.513 1.00 0.00 C ATOM 998 CE LYS A 62 29.319 6.158 -41.897 1.00 0.00 C ATOM 999 NZ LYS A 62 29.610 7.611 -41.802 1.00 0.00 N ATOM 0 H LYS A 62 26.635 4.604 -36.288 1.00 0.00 H new ATOM 0 HA LYS A 62 26.521 4.026 -39.108 1.00 0.00 H new ATOM 0 HB2 LYS A 62 27.162 6.207 -37.692 1.00 0.00 H new ATOM 0 HB3 LYS A 62 28.772 5.517 -37.745 1.00 0.00 H new ATOM 0 HG2 LYS A 62 27.107 6.166 -40.219 1.00 0.00 H new ATOM 0 HG3 LYS A 62 28.307 7.241 -39.529 1.00 0.00 H new ATOM 0 HD2 LYS A 62 30.093 5.551 -39.975 1.00 0.00 H new ATOM 0 HD3 LYS A 62 28.899 4.454 -40.640 1.00 0.00 H new ATOM 0 HE2 LYS A 62 30.129 5.661 -42.431 1.00 0.00 H new ATOM 0 HE3 LYS A 62 28.412 6.008 -42.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 29.868 7.975 -42.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 28.767 8.112 -41.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 30.399 7.765 -41.142 1.00 0.00 H new ATOM 1013 N ASN A 63 29.076 2.773 -37.380 1.00 0.00 N ATOM 1014 CA ASN A 63 30.258 1.875 -37.439 1.00 0.00 C ATOM 1015 C ASN A 63 29.838 0.399 -37.273 1.00 0.00 C ATOM 1016 O ASN A 63 30.283 -0.483 -38.023 1.00 0.00 O ATOM 1017 CB ASN A 63 31.293 2.285 -36.344 1.00 0.00 C ATOM 1018 CG ASN A 63 31.978 3.656 -36.558 1.00 0.00 C ATOM 1019 OD1 ASN A 63 31.274 4.635 -37.116 1.00 0.00 O flip ATOM 1020 ND2 ASN A 63 33.144 3.834 -36.193 1.00 0.00 N flip ATOM 0 H ASN A 63 28.922 3.190 -36.462 1.00 0.00 H new ATOM 0 HA ASN A 63 30.725 1.978 -38.418 1.00 0.00 H new ATOM 0 HB2 ASN A 63 30.789 2.297 -35.378 1.00 0.00 H new ATOM 0 HB3 ASN A 63 32.064 1.517 -36.292 1.00 0.00 H new ATOM 0 HD21 ASN A 63 33.667 3.069 -35.767 1.00 0.00 H new ATOM 0 HD22 ASN A 63 33.584 4.746 -36.318 1.00 0.00 H new ATOM 1027 N ARG A 64 28.988 0.159 -36.273 1.00 0.00 N ATOM 1028 CA ARG A 64 28.413 -1.166 -35.973 1.00 0.00 C ATOM 1029 C ARG A 64 27.263 -1.439 -36.939 1.00 0.00 C ATOM 1030 O ARG A 64 26.318 -0.644 -37.035 1.00 0.00 O ATOM 1031 CB ARG A 64 27.908 -1.276 -34.491 1.00 0.00 C ATOM 1032 CG ARG A 64 29.019 -1.448 -33.427 1.00 0.00 C ATOM 1033 CD ARG A 64 29.988 -0.257 -33.343 1.00 0.00 C ATOM 1034 NE ARG A 64 31.233 -0.625 -32.647 1.00 0.00 N ATOM 1035 CZ ARG A 64 32.437 -0.075 -32.858 1.00 0.00 C ATOM 1036 NH1 ARG A 64 32.574 1.044 -33.556 1.00 0.00 N ATOM 1037 NH2 ARG A 64 33.506 -0.640 -32.333 1.00 0.00 N ATOM 0 H ARG A 64 28.671 0.888 -35.634 1.00 0.00 H new ATOM 0 HA ARG A 64 29.199 -1.911 -36.097 1.00 0.00 H new ATOM 0 HB2 ARG A 64 27.334 -0.381 -34.252 1.00 0.00 H new ATOM 0 HB3 ARG A 64 27.224 -2.122 -34.419 1.00 0.00 H new ATOM 0 HG2 ARG A 64 28.555 -1.596 -32.452 1.00 0.00 H new ATOM 0 HG3 ARG A 64 29.587 -2.351 -33.651 1.00 0.00 H new ATOM 0 HD2 ARG A 64 30.222 0.095 -34.348 1.00 0.00 H new ATOM 0 HD3 ARG A 64 29.507 0.569 -32.819 1.00 0.00 H new ATOM 0 HE ARG A 64 31.174 -1.362 -31.944 1.00 0.00 H new ATOM 0 HH11 ARG A 64 31.752 1.506 -33.946 1.00 0.00 H new ATOM 0 HH12 ARG A 64 33.501 1.443 -33.703 1.00 0.00 H new ATOM 0 HH21 ARG A 64 33.412 -1.487 -31.773 1.00 0.00 H new ATOM 0 HH22 ARG A 64 34.427 -0.230 -32.487 1.00 0.00 H new ATOM 1051 N ASN A 65 27.370 -2.557 -37.651 1.00 0.00 N ATOM 1052 CA ASN A 65 26.351 -3.003 -38.609 1.00 0.00 C ATOM 1053 C ASN A 65 25.306 -3.864 -37.875 1.00 0.00 C ATOM 1054 O ASN A 65 25.386 -4.027 -36.649 1.00 0.00 O ATOM 1055 CB ASN A 65 27.026 -3.789 -39.769 1.00 0.00 C ATOM 1056 CG ASN A 65 28.198 -3.051 -40.445 1.00 0.00 C ATOM 1057 OD1 ASN A 65 29.163 -3.679 -40.888 1.00 0.00 O ATOM 1058 ND2 ASN A 65 28.132 -1.720 -40.546 1.00 0.00 N ATOM 0 H ASN A 65 28.170 -3.186 -37.582 1.00 0.00 H new ATOM 0 HA ASN A 65 25.842 -2.142 -39.043 1.00 0.00 H new ATOM 0 HB2 ASN A 65 27.388 -4.742 -39.383 1.00 0.00 H new ATOM 0 HB3 ASN A 65 26.273 -4.016 -40.523 1.00 0.00 H new ATOM 0 HD21 ASN A 65 28.888 -1.205 -40.996 1.00 0.00 H new ATOM 0 HD22 ASN A 65 27.325 -1.220 -40.173 1.00 0.00 H new ATOM 1065 N CYS A 66 24.346 -4.419 -38.638 1.00 0.00 N ATOM 1066 CA CYS A 66 23.251 -5.248 -38.098 1.00 0.00 C ATOM 1067 C CYS A 66 23.794 -6.417 -37.250 1.00 0.00 C ATOM 1068 O CYS A 66 23.388 -6.578 -36.105 1.00 0.00 O ATOM 1069 CB CYS A 66 22.386 -5.783 -39.258 1.00 0.00 C ATOM 1070 SG CYS A 66 23.323 -6.723 -40.485 1.00 0.00 S ATOM 0 H CYS A 66 24.308 -4.305 -39.651 1.00 0.00 H new ATOM 0 HA CYS A 66 22.639 -4.625 -37.446 1.00 0.00 H new ATOM 0 HB2 CYS A 66 21.599 -6.417 -38.851 1.00 0.00 H new ATOM 0 HB3 CYS A 66 21.896 -4.944 -39.752 1.00 0.00 H new ATOM 0 HG CYS A 66 22.521 -7.136 -41.421 1.00 0.00 H new ATOM 1076 N SER A 67 24.770 -7.161 -37.814 1.00 0.00 N ATOM 1077 CA SER A 67 25.298 -8.414 -37.222 1.00 0.00 C ATOM 1078 C SER A 67 25.861 -8.224 -35.796 1.00 0.00 C ATOM 1079 O SER A 67 25.648 -9.079 -34.936 1.00 0.00 O ATOM 1080 CB SER A 67 26.371 -9.022 -38.143 1.00 0.00 C ATOM 1081 OG SER A 67 25.834 -9.273 -39.434 1.00 0.00 O ATOM 0 H SER A 67 25.217 -6.910 -38.696 1.00 0.00 H new ATOM 0 HA SER A 67 24.455 -9.099 -37.133 1.00 0.00 H new ATOM 0 HB2 SER A 67 27.219 -8.342 -38.221 1.00 0.00 H new ATOM 0 HB3 SER A 67 26.745 -9.950 -37.712 1.00 0.00 H new ATOM 0 HG SER A 67 26.529 -9.658 -40.008 1.00 0.00 H new ATOM 1087 N GLN A 68 26.565 -7.097 -35.559 1.00 0.00 N ATOM 1088 CA GLN A 68 27.098 -6.744 -34.215 1.00 0.00 C ATOM 1089 C GLN A 68 25.969 -6.561 -33.189 1.00 0.00 C ATOM 1090 O GLN A 68 26.076 -6.994 -32.040 1.00 0.00 O ATOM 1091 CB GLN A 68 27.969 -5.445 -34.276 1.00 0.00 C ATOM 1092 CG GLN A 68 29.408 -5.637 -34.818 1.00 0.00 C ATOM 1093 CD GLN A 68 30.440 -6.184 -33.797 1.00 0.00 C ATOM 1094 OE1 GLN A 68 30.024 -7.015 -32.834 1.00 0.00 O flip ATOM 1095 NE2 GLN A 68 31.625 -5.856 -33.877 1.00 0.00 N flip ATOM 0 H GLN A 68 26.781 -6.410 -36.281 1.00 0.00 H new ATOM 0 HA GLN A 68 27.725 -7.576 -33.894 1.00 0.00 H new ATOM 0 HB2 GLN A 68 27.457 -4.713 -34.902 1.00 0.00 H new ATOM 0 HB3 GLN A 68 28.030 -5.021 -33.274 1.00 0.00 H new ATOM 0 HG2 GLN A 68 29.369 -6.317 -35.669 1.00 0.00 H new ATOM 0 HG3 GLN A 68 29.767 -4.678 -35.193 1.00 0.00 H new ATOM 0 HE21 GLN A 68 31.930 -5.222 -34.615 1.00 0.00 H new ATOM 0 HE22 GLN A 68 32.301 -6.219 -33.205 1.00 0.00 H new ATOM 1104 N LEU A 69 24.894 -5.910 -33.635 1.00 0.00 N ATOM 1105 CA LEU A 69 23.748 -5.551 -32.788 1.00 0.00 C ATOM 1106 C LEU A 69 22.834 -6.766 -32.515 1.00 0.00 C ATOM 1107 O LEU A 69 22.228 -6.857 -31.441 1.00 0.00 O ATOM 1108 CB LEU A 69 22.983 -4.393 -33.467 1.00 0.00 C ATOM 1109 CG LEU A 69 23.857 -3.148 -33.819 1.00 0.00 C ATOM 1110 CD1 LEU A 69 23.026 -2.056 -34.505 1.00 0.00 C ATOM 1111 CD2 LEU A 69 24.604 -2.600 -32.575 1.00 0.00 C ATOM 0 H LEU A 69 24.790 -5.612 -34.605 1.00 0.00 H new ATOM 0 HA LEU A 69 24.105 -5.224 -31.812 1.00 0.00 H new ATOM 0 HB2 LEU A 69 22.523 -4.767 -34.382 1.00 0.00 H new ATOM 0 HB3 LEU A 69 22.173 -4.077 -32.810 1.00 0.00 H new ATOM 0 HG LEU A 69 24.616 -3.476 -34.529 1.00 0.00 H new ATOM 0 HD11 LEU A 69 23.665 -1.204 -34.736 1.00 0.00 H new ATOM 0 HD12 LEU A 69 22.598 -2.450 -35.427 1.00 0.00 H new ATOM 0 HD13 LEU A 69 22.223 -1.738 -33.840 1.00 0.00 H new ATOM 0 HD21 LEU A 69 25.201 -1.734 -32.861 1.00 0.00 H new ATOM 0 HD22 LEU A 69 23.879 -2.306 -31.816 1.00 0.00 H new ATOM 0 HD23 LEU A 69 25.257 -3.374 -32.173 1.00 0.00 H new ATOM 1123 N ILE A 70 22.754 -7.708 -33.482 1.00 0.00 N ATOM 1124 CA ILE A 70 22.032 -8.991 -33.291 1.00 0.00 C ATOM 1125 C ILE A 70 22.807 -9.830 -32.269 1.00 0.00 C ATOM 1126 O ILE A 70 22.231 -10.419 -31.363 1.00 0.00 O ATOM 1127 CB ILE A 70 21.902 -9.842 -34.618 1.00 0.00 C ATOM 1128 CG1 ILE A 70 21.388 -8.976 -35.804 1.00 0.00 C ATOM 1129 CG2 ILE A 70 20.966 -11.063 -34.392 1.00 0.00 C ATOM 1130 CD1 ILE A 70 21.554 -9.600 -37.183 1.00 0.00 C ATOM 0 H ILE A 70 23.180 -7.606 -34.403 1.00 0.00 H new ATOM 0 HA ILE A 70 21.024 -8.746 -32.958 1.00 0.00 H new ATOM 0 HB ILE A 70 22.897 -10.204 -34.878 1.00 0.00 H new ATOM 0 HG12 ILE A 70 20.331 -8.761 -35.645 1.00 0.00 H new ATOM 0 HG13 ILE A 70 21.913 -8.021 -35.790 1.00 0.00 H new ATOM 0 HG21 ILE A 70 20.888 -11.637 -35.315 1.00 0.00 H new ATOM 0 HG22 ILE A 70 21.377 -11.695 -33.605 1.00 0.00 H new ATOM 0 HG23 ILE A 70 19.977 -10.713 -34.097 1.00 0.00 H new ATOM 0 HD11 ILE A 70 21.166 -8.919 -37.940 1.00 0.00 H new ATOM 0 HD12 ILE A 70 22.611 -9.788 -37.372 1.00 0.00 H new ATOM 0 HD13 ILE A 70 21.005 -10.540 -37.225 1.00 0.00 H new ATOM 1142 N ALA A 71 24.140 -9.847 -32.454 1.00 0.00 N ATOM 1143 CA ALA A 71 25.085 -10.563 -31.586 1.00 0.00 C ATOM 1144 C ALA A 71 25.027 -10.024 -30.154 1.00 0.00 C ATOM 1145 O ALA A 71 25.105 -10.786 -29.209 1.00 0.00 O ATOM 1146 CB ALA A 71 26.512 -10.452 -32.147 1.00 0.00 C ATOM 0 H ALA A 71 24.595 -9.355 -33.223 1.00 0.00 H new ATOM 0 HA ALA A 71 24.800 -11.615 -31.562 1.00 0.00 H new ATOM 0 HB1 ALA A 71 27.202 -10.987 -31.494 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.545 -10.888 -33.146 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.802 -9.403 -32.199 1.00 0.00 H new ATOM 1152 N ALA A 72 24.872 -8.698 -30.025 1.00 0.00 N ATOM 1153 CA ALA A 72 24.764 -8.012 -28.725 1.00 0.00 C ATOM 1154 C ALA A 72 23.423 -8.322 -28.019 1.00 0.00 C ATOM 1155 O ALA A 72 23.405 -8.586 -26.813 1.00 0.00 O ATOM 1156 CB ALA A 72 24.953 -6.502 -28.915 1.00 0.00 C ATOM 0 H ALA A 72 24.818 -8.066 -30.824 1.00 0.00 H new ATOM 0 HA ALA A 72 25.555 -8.388 -28.076 1.00 0.00 H new ATOM 0 HB1 ALA A 72 24.872 -6.001 -27.950 1.00 0.00 H new ATOM 0 HB2 ALA A 72 25.937 -6.309 -29.342 1.00 0.00 H new ATOM 0 HB3 ALA A 72 24.184 -6.121 -29.587 1.00 0.00 H new ATOM 1162 N TYR A 73 22.308 -8.305 -28.785 1.00 0.00 N ATOM 1163 CA TYR A 73 20.951 -8.570 -28.234 1.00 0.00 C ATOM 1164 C TYR A 73 20.838 -10.037 -27.772 1.00 0.00 C ATOM 1165 O TYR A 73 20.285 -10.328 -26.695 1.00 0.00 O ATOM 1166 CB TYR A 73 19.850 -8.241 -29.279 1.00 0.00 C ATOM 1167 CG TYR A 73 18.425 -8.209 -28.695 1.00 0.00 C ATOM 1168 CD1 TYR A 73 17.950 -7.071 -28.040 1.00 0.00 C ATOM 1169 CD2 TYR A 73 17.559 -9.310 -28.783 1.00 0.00 C ATOM 1170 CE1 TYR A 73 16.678 -7.029 -27.502 1.00 0.00 C ATOM 1171 CE2 TYR A 73 16.282 -9.267 -28.244 1.00 0.00 C ATOM 1172 CZ TYR A 73 15.849 -8.121 -27.603 1.00 0.00 C ATOM 1173 OH TYR A 73 14.580 -8.069 -27.064 1.00 0.00 O ATOM 0 H TYR A 73 22.317 -8.111 -29.786 1.00 0.00 H new ATOM 0 HA TYR A 73 20.801 -7.919 -27.372 1.00 0.00 H new ATOM 0 HB2 TYR A 73 20.069 -7.273 -29.731 1.00 0.00 H new ATOM 0 HB3 TYR A 73 19.888 -8.982 -30.078 1.00 0.00 H new ATOM 0 HD1 TYR A 73 18.590 -6.206 -27.952 1.00 0.00 H new ATOM 0 HD2 TYR A 73 17.894 -10.208 -29.280 1.00 0.00 H new ATOM 0 HE1 TYR A 73 16.334 -6.136 -27.001 1.00 0.00 H new ATOM 0 HE2 TYR A 73 15.629 -10.124 -28.324 1.00 0.00 H new ATOM 0 HH TYR A 73 14.058 -8.836 -27.381 1.00 0.00 H new ATOM 1183 N LYS A 74 21.386 -10.952 -28.602 1.00 0.00 N ATOM 1184 CA LYS A 74 21.498 -12.382 -28.267 1.00 0.00 C ATOM 1185 C LYS A 74 22.357 -12.550 -27.018 1.00 0.00 C ATOM 1186 O LYS A 74 21.915 -13.137 -26.053 1.00 0.00 O ATOM 1187 CB LYS A 74 22.099 -13.209 -29.439 1.00 0.00 C ATOM 1188 CG LYS A 74 21.147 -13.388 -30.631 1.00 0.00 C ATOM 1189 CD LYS A 74 21.697 -14.335 -31.722 1.00 0.00 C ATOM 1190 CE LYS A 74 22.912 -13.769 -32.477 1.00 0.00 C ATOM 1191 NZ LYS A 74 23.371 -14.694 -33.549 1.00 0.00 N ATOM 0 H LYS A 74 21.761 -10.717 -29.521 1.00 0.00 H new ATOM 0 HA LYS A 74 20.493 -12.760 -28.081 1.00 0.00 H new ATOM 0 HB2 LYS A 74 23.010 -12.720 -29.785 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.387 -14.192 -29.066 1.00 0.00 H new ATOM 0 HG2 LYS A 74 20.195 -13.777 -30.270 1.00 0.00 H new ATOM 0 HG3 LYS A 74 20.946 -12.413 -31.075 1.00 0.00 H new ATOM 0 HD2 LYS A 74 21.976 -15.283 -31.261 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.904 -14.550 -32.438 1.00 0.00 H new ATOM 0 HE2 LYS A 74 22.652 -12.805 -32.914 1.00 0.00 H new ATOM 0 HE3 LYS A 74 23.727 -13.592 -31.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 24.191 -14.280 -34.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 23.642 -15.606 -33.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.601 -14.843 -34.232 1.00 0.00 H new ATOM 1205 N ASP A 75 23.556 -11.948 -27.036 1.00 0.00 N ATOM 1206 CA ASP A 75 24.526 -12.026 -25.926 1.00 0.00 C ATOM 1207 C ASP A 75 23.903 -11.541 -24.611 1.00 0.00 C ATOM 1208 O ASP A 75 24.232 -12.056 -23.559 1.00 0.00 O ATOM 1209 CB ASP A 75 25.789 -11.188 -26.245 1.00 0.00 C ATOM 1210 CG ASP A 75 26.922 -11.323 -25.209 1.00 0.00 C ATOM 1211 OD1 ASP A 75 27.446 -12.446 -25.035 1.00 0.00 O ATOM 1212 OD2 ASP A 75 27.314 -10.314 -24.574 1.00 0.00 O ATOM 0 H ASP A 75 23.884 -11.390 -27.824 1.00 0.00 H new ATOM 0 HA ASP A 75 24.811 -13.072 -25.810 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.170 -11.485 -27.222 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.504 -10.138 -26.319 1.00 0.00 H new ATOM 1217 N PHE A 76 22.972 -10.579 -24.713 1.00 0.00 N ATOM 1218 CA PHE A 76 22.305 -9.957 -23.559 1.00 0.00 C ATOM 1219 C PHE A 76 21.237 -10.883 -22.928 1.00 0.00 C ATOM 1220 O PHE A 76 21.206 -11.071 -21.689 1.00 0.00 O ATOM 1221 CB PHE A 76 21.680 -8.608 -24.001 1.00 0.00 C ATOM 1222 CG PHE A 76 21.250 -7.732 -22.839 1.00 0.00 C ATOM 1223 CD1 PHE A 76 22.149 -7.458 -21.810 1.00 0.00 C ATOM 1224 CD2 PHE A 76 19.966 -7.201 -22.754 1.00 0.00 C ATOM 1225 CE1 PHE A 76 21.781 -6.697 -20.736 1.00 0.00 C ATOM 1226 CE2 PHE A 76 19.604 -6.425 -21.672 1.00 0.00 C ATOM 1227 CZ PHE A 76 20.513 -6.175 -20.664 1.00 0.00 C ATOM 0 H PHE A 76 22.658 -10.207 -25.610 1.00 0.00 H new ATOM 0 HA PHE A 76 23.052 -9.780 -22.785 1.00 0.00 H new ATOM 0 HB2 PHE A 76 22.403 -8.063 -24.609 1.00 0.00 H new ATOM 0 HB3 PHE A 76 20.816 -8.807 -24.635 1.00 0.00 H new ATOM 0 HD1 PHE A 76 23.153 -7.853 -21.862 1.00 0.00 H new ATOM 0 HD2 PHE A 76 19.250 -7.397 -23.538 1.00 0.00 H new ATOM 0 HE1 PHE A 76 22.489 -6.506 -19.943 1.00 0.00 H new ATOM 0 HE2 PHE A 76 18.608 -6.013 -21.614 1.00 0.00 H new ATOM 0 HZ PHE A 76 20.227 -5.568 -19.818 1.00 0.00 H new ATOM 1237 N CYS A 77 20.358 -11.458 -23.767 1.00 0.00 N ATOM 1238 CA CYS A 77 19.308 -12.384 -23.289 1.00 0.00 C ATOM 1239 C CYS A 77 19.937 -13.705 -22.788 1.00 0.00 C ATOM 1240 O CYS A 77 19.509 -14.273 -21.779 1.00 0.00 O ATOM 1241 CB CYS A 77 18.276 -12.645 -24.407 1.00 0.00 C ATOM 1242 SG CYS A 77 18.944 -13.476 -25.864 1.00 0.00 S ATOM 0 H CYS A 77 20.351 -11.301 -24.775 1.00 0.00 H new ATOM 0 HA CYS A 77 18.788 -11.923 -22.449 1.00 0.00 H new ATOM 0 HB2 CYS A 77 17.464 -13.248 -24.001 1.00 0.00 H new ATOM 0 HB3 CYS A 77 17.843 -11.693 -24.714 1.00 0.00 H new ATOM 0 HG CYS A 77 20.214 -13.216 -25.968 1.00 0.00 H new ATOM 1248 N GLU A 78 20.990 -14.146 -23.494 1.00 0.00 N ATOM 1249 CA GLU A 78 21.803 -15.329 -23.137 1.00 0.00 C ATOM 1250 C GLU A 78 22.692 -15.037 -21.907 1.00 0.00 C ATOM 1251 O GLU A 78 23.097 -15.961 -21.194 1.00 0.00 O ATOM 1252 CB GLU A 78 22.678 -15.750 -24.343 1.00 0.00 C ATOM 1253 CG GLU A 78 21.894 -16.151 -25.614 1.00 0.00 C ATOM 1254 CD GLU A 78 21.124 -17.478 -25.495 1.00 0.00 C ATOM 1255 OE1 GLU A 78 21.769 -18.538 -25.324 1.00 0.00 O ATOM 1256 OE2 GLU A 78 19.878 -17.475 -25.580 1.00 0.00 O ATOM 0 H GLU A 78 21.310 -13.685 -24.346 1.00 0.00 H new ATOM 0 HA GLU A 78 21.129 -16.147 -22.881 1.00 0.00 H new ATOM 0 HB2 GLU A 78 23.347 -14.926 -24.592 1.00 0.00 H new ATOM 0 HB3 GLU A 78 23.305 -16.589 -24.042 1.00 0.00 H new ATOM 0 HG2 GLU A 78 21.188 -15.356 -25.857 1.00 0.00 H new ATOM 0 HG3 GLU A 78 22.592 -16.224 -26.448 1.00 0.00 H new ATOM 1263 N HIS A 79 23.008 -13.745 -21.686 1.00 0.00 N ATOM 1264 CA HIS A 79 23.714 -13.277 -20.463 1.00 0.00 C ATOM 1265 C HIS A 79 22.821 -13.497 -19.241 1.00 0.00 C ATOM 1266 O HIS A 79 23.308 -13.875 -18.167 1.00 0.00 O ATOM 1267 CB HIS A 79 24.104 -11.772 -20.582 1.00 0.00 C ATOM 1268 CG HIS A 79 24.861 -11.190 -19.414 1.00 0.00 C ATOM 1269 ND1 HIS A 79 26.233 -11.275 -19.278 1.00 0.00 N ATOM 1270 CD2 HIS A 79 24.431 -10.485 -18.343 1.00 0.00 C ATOM 1271 CE1 HIS A 79 26.607 -10.652 -18.178 1.00 0.00 C ATOM 1272 NE2 HIS A 79 25.534 -10.164 -17.595 1.00 0.00 N ATOM 0 H HIS A 79 22.785 -12.996 -22.342 1.00 0.00 H new ATOM 0 HA HIS A 79 24.633 -13.853 -20.350 1.00 0.00 H new ATOM 0 HB2 HIS A 79 24.707 -11.644 -21.481 1.00 0.00 H new ATOM 0 HB3 HIS A 79 23.193 -11.191 -20.724 1.00 0.00 H new ATOM 0 HD2 HIS A 79 23.408 -10.223 -18.118 1.00 0.00 H new ATOM 0 HE1 HIS A 79 27.621 -10.558 -17.817 1.00 0.00 H new ATOM 0 HE2 HIS A 79 25.524 -9.632 -16.725 1.00 0.00 H new ATOM 1281 N GLY A 80 21.510 -13.252 -19.407 1.00 0.00 N ATOM 1282 CA GLY A 80 20.561 -13.490 -18.319 1.00 0.00 C ATOM 1283 C GLY A 80 20.544 -12.336 -17.333 1.00 0.00 C ATOM 1284 O GLY A 80 20.579 -12.548 -16.113 1.00 0.00 O ATOM 0 H GLY A 80 21.094 -12.896 -20.268 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.562 -13.633 -18.731 1.00 0.00 H new ATOM 0 HA3 GLY A 80 20.826 -14.411 -17.799 1.00 0.00 H new