USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 679 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 84 THR OG1 : rot 18:sc= 0.867! USER MOD Set 1.2: A 101 TYR OH : rot 180:sc= -0.469 USER MOD Single : A 22 GLN : amide:sc= -2.31! C(o=-2.3!,f=-2.3!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= -3.98! C(o=-4!,f=-8.3!) USER MOD Single : A 28 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-4.4!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.125 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HE2:sc= 0.743 K(o=0.74,f=-4.9!) USER MOD Single : A 57 SER OG : rot -71:sc= 1.21 USER MOD Single : A 58 GLN : amide:sc= -0.0611 K(o=-0.061,f=-1) USER MOD Single : A 61 SER OG : rot -66:sc= 1.17 USER MOD Single : A 62 MET CE :methyl 148:sc= 0 (180deg=-0.00396) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.445 X(o=-0.45,f=-0.45) USER MOD Single : A 72 HIS : no HD1:sc= -2.32! C(o=-2.3!,f=-2.7!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 CYS SG : rot 45:sc= 0.419 USER MOD Single : A 77 THR OG1 : rot 38:sc= 1.06 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.31) USER MOD Single : A 81 ASN : amide:sc= -0.636 X(o=-0.64,f=-0.86) USER MOD Single : A 85 CYS SG : rot 30:sc= 0.259 USER MOD Single : A 89 THR OG1 : rot 130:sc= -0.213 USER MOD Single : A 92 SER OG : rot 82:sc= 0.213 USER MOD Single : A 93 CYS SG : rot 37:sc= 0.266 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 20:sc= 0.179 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 223 N ARG A 15 -6.543 -1.742 -14.946 1.00 1.00 N ATOM 224 CA ARG A 15 -5.781 -2.828 -15.576 1.00 1.00 C ATOM 225 C ARG A 15 -4.934 -3.540 -14.529 1.00 1.00 C ATOM 226 O ARG A 15 -4.338 -2.900 -13.660 1.00 1.00 O ATOM 227 CB ARG A 15 -4.863 -2.270 -16.674 1.00 1.00 C ATOM 228 CG ARG A 15 -5.711 -1.533 -17.719 1.00 1.00 C ATOM 229 CD ARG A 15 -4.819 -1.001 -18.850 1.00 1.00 C ATOM 230 NE ARG A 15 -4.290 -2.122 -19.626 1.00 1.00 N ATOM 231 CZ ARG A 15 -3.526 -1.928 -20.704 1.00 1.00 C ATOM 232 NH1 ARG A 15 -3.215 -0.717 -21.081 1.00 1.00 N ATOM 233 NH2 ARG A 15 -3.101 -2.952 -21.392 1.00 1.00 N ATOM 0 HA ARG A 15 -6.484 -3.532 -16.021 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -4.129 -1.591 -16.240 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -4.307 -3.080 -17.146 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -6.464 -2.207 -18.127 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -6.244 -0.707 -17.248 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -5.392 -0.336 -19.497 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -4.000 -0.414 -18.435 1.00 1.00 H new ATOM 0 HE ARG A 15 -4.510 -3.075 -19.337 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -3.556 0.085 -20.551 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -2.631 -0.573 -21.905 1.00 1.00 H new ATOM 0 HH21 ARG A 15 -3.352 -3.898 -21.106 1.00 1.00 H new ATOM 0 HH22 ARG A 15 -2.517 -2.806 -22.216 1.00 1.00 H new ATOM 247 N LEU A 16 -4.897 -4.879 -14.613 1.00 1.00 N ATOM 248 CA LEU A 16 -4.131 -5.707 -13.669 1.00 1.00 C ATOM 249 C LEU A 16 -3.082 -6.506 -14.464 1.00 1.00 C ATOM 250 O LEU A 16 -3.421 -7.376 -15.270 1.00 1.00 O ATOM 251 CB LEU A 16 -5.114 -6.640 -12.908 1.00 1.00 C ATOM 252 CG LEU A 16 -4.566 -7.051 -11.522 1.00 1.00 C ATOM 253 CD1 LEU A 16 -5.578 -7.986 -10.827 1.00 1.00 C ATOM 254 CD2 LEU A 16 -3.198 -7.749 -11.657 1.00 1.00 C ATOM 0 H LEU A 16 -5.391 -5.413 -15.328 1.00 1.00 H new ATOM 0 HA LEU A 16 -3.611 -5.094 -12.933 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -6.071 -6.134 -12.784 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -5.300 -7.534 -13.504 1.00 1.00 H new ATOM 0 HG LEU A 16 -4.427 -6.154 -10.918 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -5.193 -8.277 -9.850 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -6.528 -7.466 -10.703 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -5.729 -8.877 -11.437 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -2.833 -8.029 -10.669 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -3.305 -8.643 -12.271 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -2.487 -7.069 -12.127 1.00 1.00 H new ATOM 266 N GLY A 17 -1.810 -6.201 -14.198 1.00 1.00 N ATOM 267 CA GLY A 17 -0.686 -6.869 -14.846 1.00 1.00 C ATOM 268 C GLY A 17 -0.455 -8.225 -14.206 1.00 1.00 C ATOM 269 O GLY A 17 -0.838 -8.453 -13.062 1.00 1.00 O ATOM 0 H GLY A 17 -1.533 -5.484 -13.527 1.00 1.00 H new ATOM 0 HA2 GLY A 17 -0.887 -6.989 -15.911 1.00 1.00 H new ATOM 0 HA3 GLY A 17 0.212 -6.258 -14.758 1.00 1.00 H new ATOM 273 N ALA A 18 0.176 -9.132 -14.945 1.00 1.00 N ATOM 274 CA ALA A 18 0.450 -10.475 -14.434 1.00 1.00 C ATOM 275 C ALA A 18 1.477 -11.161 -15.324 1.00 1.00 C ATOM 276 O ALA A 18 1.147 -12.079 -16.077 1.00 1.00 O ATOM 277 CB ALA A 18 -0.852 -11.292 -14.414 1.00 1.00 C ATOM 0 H ALA A 18 0.507 -8.965 -15.895 1.00 1.00 H new ATOM 0 HA ALA A 18 0.846 -10.405 -13.421 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -0.648 -12.293 -14.033 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -1.580 -10.800 -13.769 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -1.252 -11.363 -15.425 1.00 1.00 H new ATOM 283 N ARG A 19 2.731 -10.701 -15.258 1.00 1.00 N ATOM 284 CA ARG A 19 3.786 -11.283 -16.088 1.00 1.00 C ATOM 285 C ARG A 19 4.170 -12.648 -15.537 1.00 1.00 C ATOM 286 O ARG A 19 4.445 -12.794 -14.344 1.00 1.00 O ATOM 287 CB ARG A 19 5.007 -10.349 -16.114 1.00 1.00 C ATOM 288 CG ARG A 19 6.106 -10.899 -17.042 1.00 1.00 C ATOM 289 CD ARG A 19 7.324 -9.968 -16.998 1.00 1.00 C ATOM 290 NE ARG A 19 7.907 -9.961 -15.657 1.00 1.00 N ATOM 291 CZ ARG A 19 8.949 -9.184 -15.357 1.00 1.00 C ATOM 292 NH1 ARG A 19 9.476 -8.407 -16.267 1.00 1.00 N ATOM 293 NH2 ARG A 19 9.449 -9.202 -14.151 1.00 1.00 N ATOM 0 H ARG A 19 3.035 -9.941 -14.649 1.00 1.00 H new ATOM 0 HA ARG A 19 3.422 -11.404 -17.108 1.00 1.00 H new ATOM 0 HB2 ARG A 19 4.704 -9.358 -16.452 1.00 1.00 H new ATOM 0 HB3 ARG A 19 5.403 -10.234 -15.105 1.00 1.00 H new ATOM 0 HG2 ARG A 19 6.391 -11.904 -16.730 1.00 1.00 H new ATOM 0 HG3 ARG A 19 5.730 -10.976 -18.062 1.00 1.00 H new ATOM 0 HD2 ARG A 19 8.068 -10.296 -17.724 1.00 1.00 H new ATOM 0 HD3 ARG A 19 7.028 -8.957 -17.279 1.00 1.00 H new ATOM 0 HE ARG A 19 7.509 -10.563 -14.936 1.00 1.00 H new ATOM 0 HH11 ARG A 19 9.090 -8.393 -17.211 1.00 1.00 H new ATOM 0 HH12 ARG A 19 10.273 -7.815 -16.033 1.00 1.00 H new ATOM 0 HH21 ARG A 19 9.043 -9.810 -13.440 1.00 1.00 H new ATOM 0 HH22 ARG A 19 10.246 -8.608 -13.920 1.00 1.00 H new ATOM 307 N LEU A 20 4.179 -13.645 -16.423 1.00 1.00 N ATOM 308 CA LEU A 20 4.521 -15.024 -16.065 1.00 1.00 C ATOM 309 C LEU A 20 5.777 -15.453 -16.802 1.00 1.00 C ATOM 310 O LEU A 20 6.082 -14.944 -17.880 1.00 1.00 O ATOM 311 CB LEU A 20 3.348 -15.950 -16.427 1.00 1.00 C ATOM 312 CG LEU A 20 2.038 -15.451 -15.772 1.00 1.00 C ATOM 313 CD1 LEU A 20 0.886 -16.398 -16.170 1.00 1.00 C ATOM 314 CD2 LEU A 20 2.176 -15.374 -14.229 1.00 1.00 C ATOM 0 H LEU A 20 3.950 -13.520 -17.409 1.00 1.00 H new ATOM 0 HA LEU A 20 4.709 -15.087 -14.993 1.00 1.00 H new ATOM 0 HB2 LEU A 20 3.228 -15.988 -17.510 1.00 1.00 H new ATOM 0 HB3 LEU A 20 3.563 -16.966 -16.095 1.00 1.00 H new ATOM 0 HG LEU A 20 1.823 -14.444 -16.128 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -0.042 -16.054 -15.713 1.00 1.00 H new ATOM 0 HD12 LEU A 20 0.777 -16.402 -17.254 1.00 1.00 H new ATOM 0 HD13 LEU A 20 1.109 -17.407 -15.824 1.00 1.00 H new ATOM 0 HD21 LEU A 20 1.240 -15.020 -13.797 1.00 1.00 H new ATOM 0 HD22 LEU A 20 2.407 -16.364 -13.834 1.00 1.00 H new ATOM 0 HD23 LEU A 20 2.979 -14.684 -13.969 1.00 1.00 H new ATOM 326 N VAL A 21 6.499 -16.404 -16.205 1.00 1.00 N ATOM 327 CA VAL A 21 7.739 -16.941 -16.787 1.00 1.00 C ATOM 328 C VAL A 21 7.411 -18.258 -17.488 1.00 1.00 C ATOM 329 O VAL A 21 6.657 -19.081 -16.969 1.00 1.00 O ATOM 330 CB VAL A 21 8.795 -17.154 -15.681 1.00 1.00 C ATOM 331 CG1 VAL A 21 9.245 -15.791 -15.133 1.00 1.00 C ATOM 332 CG2 VAL A 21 8.200 -17.987 -14.528 1.00 1.00 C ATOM 0 H VAL A 21 6.246 -16.824 -15.310 1.00 1.00 H new ATOM 0 HA VAL A 21 8.153 -16.238 -17.510 1.00 1.00 H new ATOM 0 HB VAL A 21 9.646 -17.685 -16.106 1.00 1.00 H new ATOM 0 HG11 VAL A 21 9.991 -15.941 -14.352 1.00 1.00 H new ATOM 0 HG12 VAL A 21 9.678 -15.200 -15.940 1.00 1.00 H new ATOM 0 HG13 VAL A 21 8.386 -15.264 -14.718 1.00 1.00 H new ATOM 0 HG21 VAL A 21 8.955 -18.130 -13.755 1.00 1.00 H new ATOM 0 HG22 VAL A 21 7.343 -17.463 -14.105 1.00 1.00 H new ATOM 0 HG23 VAL A 21 7.881 -18.958 -14.907 1.00 1.00 H new ATOM 342 N GLN A 22 7.976 -18.446 -18.680 1.00 1.00 N ATOM 343 CA GLN A 22 7.749 -19.663 -19.457 1.00 1.00 C ATOM 344 C GLN A 22 8.665 -20.769 -18.943 1.00 1.00 C ATOM 345 O GLN A 22 9.872 -20.570 -18.790 1.00 1.00 O ATOM 346 CB GLN A 22 8.015 -19.386 -20.955 1.00 1.00 C ATOM 347 CG GLN A 22 7.638 -20.612 -21.834 1.00 1.00 C ATOM 348 CD GLN A 22 8.688 -21.727 -21.720 1.00 1.00 C ATOM 349 OE1 GLN A 22 9.882 -21.473 -21.881 1.00 1.00 O ATOM 350 NE2 GLN A 22 8.312 -22.950 -21.454 1.00 1.00 N ATOM 0 H GLN A 22 8.595 -17.770 -19.129 1.00 1.00 H new ATOM 0 HA GLN A 22 6.713 -19.983 -19.345 1.00 1.00 H new ATOM 0 HB2 GLN A 22 7.439 -18.517 -21.274 1.00 1.00 H new ATOM 0 HB3 GLN A 22 9.067 -19.142 -21.100 1.00 1.00 H new ATOM 0 HG2 GLN A 22 6.664 -20.995 -21.529 1.00 1.00 H new ATOM 0 HG3 GLN A 22 7.547 -20.301 -22.875 1.00 1.00 H new ATOM 0 HE21 GLN A 22 7.323 -23.162 -21.320 1.00 1.00 H new ATOM 0 HE22 GLN A 22 9.007 -23.693 -21.380 1.00 1.00 H new ATOM 359 N GLU A 23 8.077 -21.938 -18.685 1.00 1.00 N ATOM 360 CA GLU A 23 8.828 -23.094 -18.188 1.00 1.00 C ATOM 361 C GLU A 23 8.040 -24.387 -18.438 1.00 1.00 C ATOM 362 O GLU A 23 6.885 -24.508 -18.037 1.00 1.00 O ATOM 363 CB GLU A 23 9.119 -22.921 -16.673 1.00 1.00 C ATOM 364 CG GLU A 23 7.844 -22.533 -15.902 1.00 1.00 C ATOM 365 CD GLU A 23 8.163 -22.361 -14.418 1.00 1.00 C ATOM 366 OE1 GLU A 23 8.746 -21.346 -14.068 1.00 1.00 O ATOM 367 OE2 GLU A 23 7.822 -23.247 -13.650 1.00 1.00 O ATOM 0 H GLU A 23 7.080 -22.111 -18.812 1.00 1.00 H new ATOM 0 HA GLU A 23 9.775 -23.159 -18.723 1.00 1.00 H new ATOM 0 HB2 GLU A 23 9.523 -23.849 -16.269 1.00 1.00 H new ATOM 0 HB3 GLU A 23 9.880 -22.154 -16.531 1.00 1.00 H new ATOM 0 HG2 GLU A 23 7.434 -21.607 -16.304 1.00 1.00 H new ATOM 0 HG3 GLU A 23 7.082 -23.302 -16.032 1.00 1.00 H new ATOM 374 N GLY A 24 8.655 -25.345 -19.135 1.00 1.00 N ATOM 375 CA GLY A 24 7.984 -26.604 -19.444 1.00 1.00 C ATOM 376 C GLY A 24 6.790 -26.347 -20.346 1.00 1.00 C ATOM 377 O GLY A 24 6.813 -25.425 -21.165 1.00 1.00 O ATOM 0 H GLY A 24 9.608 -25.272 -19.492 1.00 1.00 H new ATOM 0 HA2 GLY A 24 8.680 -27.286 -19.933 1.00 1.00 H new ATOM 0 HA3 GLY A 24 7.658 -27.087 -18.523 1.00 1.00 H new ATOM 381 N ASN A 25 5.743 -27.165 -20.189 1.00 1.00 N ATOM 382 CA ASN A 25 4.517 -27.028 -20.991 1.00 1.00 C ATOM 383 C ASN A 25 3.400 -26.415 -20.146 1.00 1.00 C ATOM 384 O ASN A 25 2.228 -26.472 -20.520 1.00 1.00 O ATOM 385 CB ASN A 25 4.085 -28.408 -21.496 1.00 1.00 C ATOM 386 CG ASN A 25 5.179 -29.008 -22.375 1.00 1.00 C ATOM 387 OD1 ASN A 25 5.552 -28.421 -23.390 1.00 1.00 O ATOM 388 ND2 ASN A 25 5.719 -30.150 -22.041 1.00 1.00 N ATOM 0 H ASN A 25 5.718 -27.930 -19.514 1.00 1.00 H new ATOM 0 HA ASN A 25 4.715 -26.373 -21.839 1.00 1.00 H new ATOM 0 HB2 ASN A 25 3.884 -29.067 -20.651 1.00 1.00 H new ATOM 0 HB3 ASN A 25 3.158 -28.323 -22.062 1.00 1.00 H new ATOM 0 HD21 ASN A 25 6.452 -30.557 -22.622 1.00 1.00 H new ATOM 0 HD22 ASN A 25 5.408 -30.634 -21.199 1.00 1.00 H new ATOM 395 N GLN A 26 3.775 -25.828 -18.999 1.00 1.00 N ATOM 396 CA GLN A 26 2.809 -25.197 -18.083 1.00 1.00 C ATOM 397 C GLN A 26 3.343 -23.851 -17.603 1.00 1.00 C ATOM 398 O GLN A 26 4.544 -23.682 -17.396 1.00 1.00 O ATOM 399 CB GLN A 26 2.545 -26.119 -16.867 1.00 1.00 C ATOM 400 CG GLN A 26 2.143 -27.545 -17.337 1.00 1.00 C ATOM 401 CD GLN A 26 3.369 -28.346 -17.788 1.00 1.00 C ATOM 402 OE1 GLN A 26 4.503 -27.872 -17.681 1.00 1.00 O ATOM 403 NE2 GLN A 26 3.204 -29.544 -18.279 1.00 1.00 N ATOM 0 H GLN A 26 4.743 -25.777 -18.682 1.00 1.00 H new ATOM 0 HA GLN A 26 1.873 -25.039 -18.619 1.00 1.00 H new ATOM 0 HB2 GLN A 26 3.438 -26.174 -16.245 1.00 1.00 H new ATOM 0 HB3 GLN A 26 1.752 -25.697 -16.249 1.00 1.00 H new ATOM 0 HG2 GLN A 26 1.641 -28.070 -16.525 1.00 1.00 H new ATOM 0 HG3 GLN A 26 1.430 -27.473 -18.159 1.00 1.00 H new ATOM 0 HE21 GLN A 26 2.266 -29.934 -18.367 1.00 1.00 H new ATOM 0 HE22 GLN A 26 4.013 -30.090 -18.575 1.00 1.00 H new ATOM 412 N LEU A 27 2.436 -22.891 -17.448 1.00 1.00 N ATOM 413 CA LEU A 27 2.791 -21.546 -16.999 1.00 1.00 C ATOM 414 C LEU A 27 2.672 -21.482 -15.484 1.00 1.00 C ATOM 415 O LEU A 27 1.666 -21.903 -14.910 1.00 1.00 O ATOM 416 CB LEU A 27 1.832 -20.530 -17.648 1.00 1.00 C ATOM 417 CG LEU A 27 1.780 -20.735 -19.180 1.00 1.00 C ATOM 418 CD1 LEU A 27 0.811 -19.710 -19.790 1.00 1.00 C ATOM 419 CD2 LEU A 27 3.184 -20.578 -19.822 1.00 1.00 C ATOM 0 H LEU A 27 1.440 -23.021 -17.628 1.00 1.00 H new ATOM 0 HA LEU A 27 3.815 -21.309 -17.289 1.00 1.00 H new ATOM 0 HB2 LEU A 27 0.833 -20.643 -17.226 1.00 1.00 H new ATOM 0 HB3 LEU A 27 2.160 -19.516 -17.422 1.00 1.00 H new ATOM 0 HG LEU A 27 1.434 -21.748 -19.382 1.00 1.00 H new ATOM 0 HD11 LEU A 27 0.768 -19.848 -20.870 1.00 1.00 H new ATOM 0 HD12 LEU A 27 -0.183 -19.852 -19.367 1.00 1.00 H new ATOM 0 HD13 LEU A 27 1.160 -18.702 -19.566 1.00 1.00 H new ATOM 0 HD21 LEU A 27 3.110 -20.728 -20.899 1.00 1.00 H new ATOM 0 HD22 LEU A 27 3.566 -19.577 -19.621 1.00 1.00 H new ATOM 0 HD23 LEU A 27 3.863 -21.318 -19.398 1.00 1.00 H new ATOM 431 N HIS A 28 3.707 -20.960 -14.831 1.00 1.00 N ATOM 432 CA HIS A 28 3.714 -20.854 -13.375 1.00 1.00 C ATOM 433 C HIS A 28 3.079 -19.534 -12.948 1.00 1.00 C ATOM 434 O HIS A 28 3.609 -18.465 -13.259 1.00 1.00 O ATOM 435 CB HIS A 28 5.179 -20.912 -12.863 1.00 1.00 C ATOM 436 CG HIS A 28 5.185 -21.246 -11.389 1.00 1.00 C ATOM 437 ND1 HIS A 28 4.025 -21.202 -10.633 1.00 1.00 N ATOM 438 CD2 HIS A 28 6.178 -21.647 -10.529 1.00 1.00 C ATOM 439 CE1 HIS A 28 4.339 -21.567 -9.381 1.00 1.00 C ATOM 440 NE2 HIS A 28 5.639 -21.849 -9.259 1.00 1.00 N ATOM 0 H HIS A 28 4.549 -20.605 -15.285 1.00 1.00 H new ATOM 0 HA HIS A 28 3.143 -21.680 -12.951 1.00 1.00 H new ATOM 0 HB2 HIS A 28 5.740 -21.663 -13.419 1.00 1.00 H new ATOM 0 HB3 HIS A 28 5.673 -19.955 -13.032 1.00 1.00 H new ATOM 0 HD2 HIS A 28 7.216 -21.785 -10.795 1.00 1.00 H new ATOM 0 HE1 HIS A 28 3.628 -21.626 -8.571 1.00 1.00 H new ATOM 0 HE2 HIS A 28 6.132 -22.148 -8.417 1.00 1.00 H new ATOM 449 N TYR A 29 1.957 -19.610 -12.222 1.00 1.00 N ATOM 450 CA TYR A 29 1.264 -18.408 -11.740 1.00 1.00 C ATOM 451 C TYR A 29 1.635 -18.188 -10.275 1.00 1.00 C ATOM 452 O TYR A 29 1.177 -18.911 -9.391 1.00 1.00 O ATOM 453 CB TYR A 29 -0.258 -18.580 -11.888 1.00 1.00 C ATOM 454 CG TYR A 29 -0.957 -17.286 -11.487 1.00 1.00 C ATOM 455 CD1 TYR A 29 -1.295 -17.052 -10.143 1.00 1.00 C ATOM 456 CD2 TYR A 29 -1.243 -16.306 -12.455 1.00 1.00 C ATOM 457 CE1 TYR A 29 -1.913 -15.851 -9.774 1.00 1.00 C ATOM 458 CE2 TYR A 29 -1.865 -15.110 -12.081 1.00 1.00 C ATOM 459 CZ TYR A 29 -2.196 -14.882 -10.741 1.00 1.00 C ATOM 460 OH TYR A 29 -2.798 -13.695 -10.372 1.00 1.00 O ATOM 0 H TYR A 29 1.511 -20.488 -11.956 1.00 1.00 H new ATOM 0 HA TYR A 29 1.566 -17.542 -12.329 1.00 1.00 H new ATOM 0 HB2 TYR A 29 -0.507 -18.837 -12.918 1.00 1.00 H new ATOM 0 HB3 TYR A 29 -0.604 -19.402 -11.262 1.00 1.00 H new ATOM 0 HD1 TYR A 29 -1.078 -17.799 -9.394 1.00 1.00 H new ATOM 0 HD2 TYR A 29 -0.982 -16.477 -13.489 1.00 1.00 H new ATOM 0 HE1 TYR A 29 -2.171 -15.673 -8.741 1.00 1.00 H new ATOM 0 HE2 TYR A 29 -2.090 -14.362 -12.827 1.00 1.00 H new ATOM 0 HH TYR A 29 -2.923 -13.132 -11.164 1.00 1.00 H new ATOM 470 N LEU A 30 2.474 -17.175 -10.025 1.00 1.00 N ATOM 471 CA LEU A 30 2.916 -16.851 -8.665 1.00 1.00 C ATOM 472 C LEU A 30 1.960 -15.820 -8.052 1.00 1.00 C ATOM 473 O LEU A 30 1.913 -14.667 -8.480 1.00 1.00 O ATOM 474 CB LEU A 30 4.365 -16.277 -8.712 1.00 1.00 C ATOM 475 CG LEU A 30 5.418 -17.412 -8.774 1.00 1.00 C ATOM 476 CD1 LEU A 30 5.198 -18.268 -10.033 1.00 1.00 C ATOM 477 CD2 LEU A 30 6.831 -16.797 -8.794 1.00 1.00 C ATOM 0 H LEU A 30 2.860 -16.567 -10.747 1.00 1.00 H new ATOM 0 HA LEU A 30 2.911 -17.752 -8.051 1.00 1.00 H new ATOM 0 HB2 LEU A 30 4.474 -15.629 -9.582 1.00 1.00 H new ATOM 0 HB3 LEU A 30 4.543 -15.660 -7.831 1.00 1.00 H new ATOM 0 HG LEU A 30 5.313 -18.050 -7.896 1.00 1.00 H new ATOM 0 HD11 LEU A 30 5.943 -19.063 -10.067 1.00 1.00 H new ATOM 0 HD12 LEU A 30 4.201 -18.707 -10.005 1.00 1.00 H new ATOM 0 HD13 LEU A 30 5.294 -17.642 -10.920 1.00 1.00 H new ATOM 0 HD21 LEU A 30 7.574 -17.593 -8.838 1.00 1.00 H new ATOM 0 HD22 LEU A 30 6.936 -16.155 -9.668 1.00 1.00 H new ATOM 0 HD23 LEU A 30 6.984 -16.207 -7.890 1.00 1.00 H new ATOM 489 N ALA A 31 1.207 -16.252 -7.045 1.00 1.00 N ATOM 490 CA ALA A 31 0.256 -15.382 -6.369 1.00 1.00 C ATOM 491 C ALA A 31 0.977 -14.183 -5.762 1.00 1.00 C ATOM 492 O ALA A 31 0.445 -13.073 -5.723 1.00 1.00 O ATOM 493 CB ALA A 31 -0.449 -16.180 -5.268 1.00 1.00 C ATOM 0 H ALA A 31 1.239 -17.204 -6.679 1.00 1.00 H new ATOM 0 HA ALA A 31 -0.477 -15.016 -7.087 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -1.164 -15.538 -4.754 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -0.974 -17.026 -5.711 1.00 1.00 H new ATOM 0 HB3 ALA A 31 0.289 -16.545 -4.554 1.00 1.00 H new ATOM 499 N ASP A 32 2.199 -14.426 -5.289 1.00 1.00 N ATOM 500 CA ASP A 32 3.012 -13.374 -4.676 1.00 1.00 C ATOM 501 C ASP A 32 3.510 -12.389 -5.737 1.00 1.00 C ATOM 502 O ASP A 32 4.085 -11.351 -5.399 1.00 1.00 O ATOM 503 CB ASP A 32 4.219 -14.001 -3.958 1.00 1.00 C ATOM 504 CG ASP A 32 3.752 -14.930 -2.837 1.00 1.00 C ATOM 505 OD1 ASP A 32 2.686 -14.688 -2.295 1.00 1.00 O ATOM 506 OD2 ASP A 32 4.472 -15.868 -2.535 1.00 1.00 O ATOM 0 H ASP A 32 2.648 -15.341 -5.318 1.00 1.00 H new ATOM 0 HA ASP A 32 2.394 -12.836 -3.957 1.00 1.00 H new ATOM 0 HB2 ASP A 32 4.825 -14.559 -4.672 1.00 1.00 H new ATOM 0 HB3 ASP A 32 4.853 -13.216 -3.547 1.00 1.00 H new ATOM 511 N ARG A 33 3.290 -12.721 -7.023 1.00 1.00 N ATOM 512 CA ARG A 33 3.720 -11.861 -8.147 1.00 1.00 C ATOM 513 C ARG A 33 2.504 -11.245 -8.842 1.00 1.00 C ATOM 514 O ARG A 33 2.247 -11.499 -10.020 1.00 1.00 O ATOM 515 CB ARG A 33 4.537 -12.695 -9.166 1.00 1.00 C ATOM 516 CG ARG A 33 5.277 -11.765 -10.147 1.00 1.00 C ATOM 517 CD ARG A 33 6.086 -12.593 -11.150 1.00 1.00 C ATOM 518 NE ARG A 33 7.134 -13.337 -10.455 1.00 1.00 N ATOM 519 CZ ARG A 33 7.984 -14.121 -11.118 1.00 1.00 C ATOM 520 NH1 ARG A 33 7.899 -14.234 -12.417 1.00 1.00 N ATOM 521 NH2 ARG A 33 8.901 -14.779 -10.467 1.00 1.00 N ATOM 0 H ARG A 33 2.817 -13.578 -7.312 1.00 1.00 H new ATOM 0 HA ARG A 33 4.344 -11.059 -7.753 1.00 1.00 H new ATOM 0 HB2 ARG A 33 5.255 -13.324 -8.639 1.00 1.00 H new ATOM 0 HB3 ARG A 33 3.873 -13.361 -9.717 1.00 1.00 H new ATOM 0 HG2 ARG A 33 4.560 -11.138 -10.676 1.00 1.00 H new ATOM 0 HG3 ARG A 33 5.940 -11.097 -9.597 1.00 1.00 H new ATOM 0 HD2 ARG A 33 5.428 -13.283 -11.678 1.00 1.00 H new ATOM 0 HD3 ARG A 33 6.530 -11.938 -11.900 1.00 1.00 H new ATOM 0 HE ARG A 33 7.217 -13.255 -9.442 1.00 1.00 H new ATOM 0 HH11 ARG A 33 7.180 -13.721 -12.928 1.00 1.00 H new ATOM 0 HH12 ARG A 33 8.551 -14.835 -12.920 1.00 1.00 H new ATOM 0 HH21 ARG A 33 8.967 -14.693 -9.453 1.00 1.00 H new ATOM 0 HH22 ARG A 33 9.553 -15.380 -10.972 1.00 1.00 H new ATOM 535 N ALA A 34 1.762 -10.430 -8.105 1.00 1.00 N ATOM 536 CA ALA A 34 0.586 -9.761 -8.652 1.00 1.00 C ATOM 537 C ALA A 34 0.082 -8.733 -7.653 1.00 1.00 C ATOM 538 O ALA A 34 0.599 -8.629 -6.538 1.00 1.00 O ATOM 539 CB ALA A 34 -0.523 -10.780 -8.968 1.00 1.00 C ATOM 0 H ALA A 34 1.952 -10.215 -7.126 1.00 1.00 H new ATOM 0 HA ALA A 34 0.863 -9.262 -9.581 1.00 1.00 H new ATOM 0 HB1 ALA A 34 -1.390 -10.260 -9.375 1.00 1.00 H new ATOM 0 HB2 ALA A 34 -0.157 -11.501 -9.699 1.00 1.00 H new ATOM 0 HB3 ALA A 34 -0.808 -11.302 -8.055 1.00 1.00 H new ATOM 545 N SER A 35 -0.932 -7.969 -8.059 1.00 1.00 N ATOM 546 CA SER A 35 -1.527 -6.931 -7.205 1.00 1.00 C ATOM 547 C SER A 35 -3.040 -6.903 -7.397 1.00 1.00 C ATOM 548 O SER A 35 -3.529 -7.002 -8.523 1.00 1.00 O ATOM 549 CB SER A 35 -0.939 -5.562 -7.570 1.00 1.00 C ATOM 550 OG SER A 35 -1.334 -4.618 -6.585 1.00 1.00 O ATOM 0 H SER A 35 -1.364 -8.048 -8.980 1.00 1.00 H new ATOM 0 HA SER A 35 -1.302 -7.157 -6.163 1.00 1.00 H new ATOM 0 HB2 SER A 35 0.148 -5.620 -7.623 1.00 1.00 H new ATOM 0 HB3 SER A 35 -1.290 -5.250 -8.554 1.00 1.00 H new ATOM 0 HG SER A 35 -0.962 -3.739 -6.807 1.00 1.00 H new ATOM 556 N ILE A 36 -3.781 -6.764 -6.302 1.00 1.00 N ATOM 557 CA ILE A 36 -5.242 -6.712 -6.370 1.00 1.00 C ATOM 558 C ILE A 36 -5.703 -5.294 -6.720 1.00 1.00 C ATOM 559 O ILE A 36 -5.119 -4.315 -6.257 1.00 1.00 O ATOM 560 CB ILE A 36 -5.843 -7.152 -5.018 1.00 1.00 C ATOM 561 CG1 ILE A 36 -5.135 -8.439 -4.505 1.00 1.00 C ATOM 562 CG2 ILE A 36 -7.355 -7.393 -5.171 1.00 1.00 C ATOM 563 CD1 ILE A 36 -5.141 -9.566 -5.554 1.00 1.00 C ATOM 0 H ILE A 36 -3.398 -6.685 -5.360 1.00 1.00 H new ATOM 0 HA ILE A 36 -5.588 -7.392 -7.149 1.00 1.00 H new ATOM 0 HB ILE A 36 -5.686 -6.360 -4.286 1.00 1.00 H new ATOM 0 HG12 ILE A 36 -4.106 -8.202 -4.235 1.00 1.00 H new ATOM 0 HG13 ILE A 36 -5.630 -8.787 -3.598 1.00 1.00 H new ATOM 0 HG21 ILE A 36 -7.773 -7.703 -4.213 1.00 1.00 H new ATOM 0 HG22 ILE A 36 -7.839 -6.472 -5.497 1.00 1.00 H new ATOM 0 HG23 ILE A 36 -7.526 -8.174 -5.911 1.00 1.00 H new ATOM 0 HD11 ILE A 36 -4.635 -10.443 -5.149 1.00 1.00 H new ATOM 0 HD12 ILE A 36 -6.170 -9.824 -5.805 1.00 1.00 H new ATOM 0 HD13 ILE A 36 -4.622 -9.230 -6.452 1.00 1.00 H new ATOM 575 N THR A 37 -6.755 -5.194 -7.547 1.00 1.00 N ATOM 576 CA THR A 37 -7.312 -3.895 -7.975 1.00 1.00 C ATOM 577 C THR A 37 -8.823 -3.905 -7.833 1.00 1.00 C ATOM 578 O THR A 37 -9.462 -4.941 -8.021 1.00 1.00 O ATOM 579 CB THR A 37 -6.938 -3.656 -9.445 1.00 1.00 C ATOM 580 OG1 THR A 37 -7.455 -4.712 -10.239 1.00 1.00 O ATOM 581 CG2 THR A 37 -5.409 -3.607 -9.585 1.00 1.00 C ATOM 0 H THR A 37 -7.242 -6.001 -7.937 1.00 1.00 H new ATOM 0 HA THR A 37 -6.904 -3.100 -7.351 1.00 1.00 H new ATOM 0 HB THR A 37 -7.361 -2.709 -9.780 1.00 1.00 H new ATOM 0 HG1 THR A 37 -7.219 -4.561 -11.178 1.00 1.00 H new ATOM 0 HG21 THR A 37 -5.144 -3.437 -10.629 1.00 1.00 H new ATOM 0 HG22 THR A 37 -5.013 -2.796 -8.974 1.00 1.00 H new ATOM 0 HG23 THR A 37 -4.983 -4.553 -9.252 1.00 1.00 H new ATOM 589 N GLY A 38 -9.398 -2.752 -7.503 1.00 1.00 N ATOM 590 CA GLY A 38 -10.850 -2.641 -7.342 1.00 1.00 C ATOM 591 C GLY A 38 -11.328 -3.402 -6.110 1.00 1.00 C ATOM 592 O GLY A 38 -12.482 -3.281 -5.702 1.00 1.00 O ATOM 0 H GLY A 38 -8.887 -1.884 -7.342 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -11.130 -1.591 -7.255 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -11.348 -3.031 -8.230 1.00 1.00 H new ATOM 596 N LYS A 39 -10.433 -4.182 -5.504 1.00 1.00 N ATOM 597 CA LYS A 39 -10.779 -4.948 -4.305 1.00 1.00 C ATOM 598 C LYS A 39 -12.057 -5.755 -4.514 1.00 1.00 C ATOM 599 O LYS A 39 -13.157 -5.287 -4.220 1.00 1.00 O ATOM 600 CB LYS A 39 -10.972 -4.002 -3.108 1.00 1.00 C ATOM 601 CG LYS A 39 -9.692 -3.185 -2.860 1.00 1.00 C ATOM 602 CD LYS A 39 -9.824 -2.344 -1.567 1.00 1.00 C ATOM 603 CE LYS A 39 -10.963 -1.307 -1.676 1.00 1.00 C ATOM 604 NZ LYS A 39 -10.798 -0.289 -0.591 1.00 1.00 N ATOM 0 H LYS A 39 -9.470 -4.300 -5.820 1.00 1.00 H new ATOM 0 HA LYS A 39 -9.958 -5.636 -4.105 1.00 1.00 H new ATOM 0 HB2 LYS A 39 -11.809 -3.330 -3.298 1.00 1.00 H new ATOM 0 HB3 LYS A 39 -11.222 -4.578 -2.217 1.00 1.00 H new ATOM 0 HG2 LYS A 39 -8.836 -3.855 -2.778 1.00 1.00 H new ATOM 0 HG3 LYS A 39 -9.503 -2.529 -3.709 1.00 1.00 H new ATOM 0 HD2 LYS A 39 -10.013 -3.004 -0.721 1.00 1.00 H new ATOM 0 HD3 LYS A 39 -8.883 -1.832 -1.368 1.00 1.00 H new ATOM 0 HE2 LYS A 39 -10.940 -0.824 -2.653 1.00 1.00 H new ATOM 0 HE3 LYS A 39 -11.931 -1.800 -1.586 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 -11.561 0.415 -0.656 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 -10.839 -0.759 0.336 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 -9.879 0.186 -0.698 1.00 1.00 H new ATOM 618 N PHE A 40 -11.909 -6.978 -5.000 1.00 1.00 N ATOM 619 CA PHE A 40 -13.048 -7.851 -5.213 1.00 1.00 C ATOM 620 C PHE A 40 -13.643 -8.291 -3.879 1.00 1.00 C ATOM 621 O PHE A 40 -12.924 -8.597 -2.928 1.00 1.00 O ATOM 622 CB PHE A 40 -12.581 -9.095 -5.991 1.00 1.00 C ATOM 623 CG PHE A 40 -11.938 -8.651 -7.305 1.00 1.00 C ATOM 624 CD1 PHE A 40 -12.744 -8.326 -8.408 1.00 1.00 C ATOM 625 CD2 PHE A 40 -10.535 -8.560 -7.423 1.00 1.00 C ATOM 626 CE1 PHE A 40 -12.157 -7.917 -9.609 1.00 1.00 C ATOM 627 CE2 PHE A 40 -9.955 -8.149 -8.628 1.00 1.00 C ATOM 628 CZ PHE A 40 -10.766 -7.829 -9.721 1.00 1.00 C ATOM 0 H PHE A 40 -11.010 -7.387 -5.254 1.00 1.00 H new ATOM 0 HA PHE A 40 -13.810 -7.312 -5.776 1.00 1.00 H new ATOM 0 HB2 PHE A 40 -11.867 -9.664 -5.396 1.00 1.00 H new ATOM 0 HB3 PHE A 40 -13.427 -9.754 -6.190 1.00 1.00 H new ATOM 0 HD1 PHE A 40 -13.819 -8.392 -8.328 1.00 1.00 H new ATOM 0 HD2 PHE A 40 -9.907 -8.808 -6.580 1.00 1.00 H new ATOM 0 HE1 PHE A 40 -12.781 -7.668 -10.455 1.00 1.00 H new ATOM 0 HE2 PHE A 40 -8.881 -8.079 -8.714 1.00 1.00 H new ATOM 0 HZ PHE A 40 -10.318 -7.514 -10.652 1.00 1.00 H new ATOM 638 N SER A 41 -14.973 -8.332 -3.833 1.00 1.00 N ATOM 639 CA SER A 41 -15.706 -8.743 -2.645 1.00 1.00 C ATOM 640 C SER A 41 -15.578 -10.242 -2.445 1.00 1.00 C ATOM 641 O SER A 41 -15.072 -10.955 -3.311 1.00 1.00 O ATOM 642 CB SER A 41 -17.191 -8.384 -2.815 1.00 1.00 C ATOM 643 OG SER A 41 -17.759 -9.181 -3.845 1.00 1.00 O ATOM 0 H SER A 41 -15.570 -8.080 -4.621 1.00 1.00 H new ATOM 0 HA SER A 41 -15.294 -8.228 -1.777 1.00 1.00 H new ATOM 0 HB2 SER A 41 -17.725 -8.548 -1.879 1.00 1.00 H new ATOM 0 HB3 SER A 41 -17.294 -7.327 -3.060 1.00 1.00 H new ATOM 0 HG SER A 41 -18.706 -8.952 -3.951 1.00 1.00 H new ATOM 649 N ASP A 42 -16.048 -10.712 -1.296 1.00 1.00 N ATOM 650 CA ASP A 42 -16.001 -12.133 -0.966 1.00 1.00 C ATOM 651 C ASP A 42 -16.913 -12.931 -1.905 1.00 1.00 C ATOM 652 O ASP A 42 -16.775 -14.146 -2.013 1.00 1.00 O ATOM 653 CB ASP A 42 -16.441 -12.339 0.491 1.00 1.00 C ATOM 654 CG ASP A 42 -15.474 -11.638 1.445 1.00 1.00 C ATOM 655 OD1 ASP A 42 -14.307 -11.521 1.100 1.00 1.00 O ATOM 656 OD2 ASP A 42 -15.914 -11.234 2.506 1.00 1.00 O ATOM 0 H ASP A 42 -16.468 -10.127 -0.573 1.00 1.00 H new ATOM 0 HA ASP A 42 -14.978 -12.490 -1.089 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -17.448 -11.947 0.632 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -16.478 -13.404 0.719 1.00 1.00 H new ATOM 661 N ALA A 43 -17.868 -12.258 -2.562 1.00 1.00 N ATOM 662 CA ALA A 43 -18.802 -12.934 -3.490 1.00 1.00 C ATOM 663 C ALA A 43 -18.251 -12.904 -4.929 1.00 1.00 C ATOM 664 O ALA A 43 -18.780 -13.566 -5.820 1.00 1.00 O ATOM 665 CB ALA A 43 -20.167 -12.246 -3.431 1.00 1.00 C ATOM 0 H ALA A 43 -18.018 -11.253 -2.473 1.00 1.00 H new ATOM 0 HA ALA A 43 -18.910 -13.976 -3.188 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -20.855 -12.744 -4.114 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -20.559 -12.303 -2.416 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -20.060 -11.201 -3.721 1.00 1.00 H new ATOM 671 N GLU A 44 -17.188 -12.111 -5.138 1.00 1.00 N ATOM 672 CA GLU A 44 -16.532 -11.949 -6.455 1.00 1.00 C ATOM 673 C GLU A 44 -15.154 -12.617 -6.474 1.00 1.00 C ATOM 674 O GLU A 44 -14.665 -12.999 -7.540 1.00 1.00 O ATOM 675 CB GLU A 44 -16.386 -10.445 -6.755 1.00 1.00 C ATOM 676 CG GLU A 44 -17.771 -9.815 -6.953 1.00 1.00 C ATOM 677 CD GLU A 44 -17.638 -8.317 -7.204 1.00 1.00 C ATOM 678 OE1 GLU A 44 -16.863 -7.686 -6.508 1.00 1.00 O ATOM 679 OE2 GLU A 44 -18.316 -7.823 -8.093 1.00 1.00 O ATOM 0 H GLU A 44 -16.754 -11.560 -4.398 1.00 1.00 H new ATOM 0 HA GLU A 44 -17.147 -12.429 -7.216 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -15.866 -9.950 -5.935 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -15.780 -10.301 -7.650 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -18.277 -10.288 -7.794 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -18.387 -9.990 -6.071 1.00 1.00 H new ATOM 686 N CYS A 45 -14.529 -12.779 -5.309 1.00 1.00 N ATOM 687 CA CYS A 45 -13.212 -13.429 -5.243 1.00 1.00 C ATOM 688 C CYS A 45 -13.355 -14.926 -5.626 1.00 1.00 C ATOM 689 O CYS A 45 -12.552 -15.434 -6.409 1.00 1.00 O ATOM 690 CB CYS A 45 -12.596 -13.278 -3.806 1.00 1.00 C ATOM 691 SG CYS A 45 -10.901 -12.604 -3.863 1.00 1.00 S ATOM 0 H CYS A 45 -14.902 -12.476 -4.409 1.00 1.00 H new ATOM 0 HA CYS A 45 -12.537 -12.946 -5.949 1.00 1.00 H new ATOM 0 HB2 CYS A 45 -13.228 -12.623 -3.207 1.00 1.00 H new ATOM 0 HB3 CYS A 45 -12.585 -14.249 -3.311 1.00 1.00 H new ATOM 0 HG CYS A 45 -10.436 -12.496 -2.654 1.00 1.00 H new ATOM 697 N PRO A 46 -14.341 -15.643 -5.088 1.00 1.00 N ATOM 698 CA PRO A 46 -14.523 -17.101 -5.385 1.00 1.00 C ATOM 699 C PRO A 46 -14.843 -17.360 -6.857 1.00 1.00 C ATOM 700 O PRO A 46 -14.180 -18.153 -7.515 1.00 1.00 O ATOM 701 CB PRO A 46 -15.713 -17.535 -4.474 1.00 1.00 C ATOM 702 CG PRO A 46 -15.794 -16.457 -3.432 1.00 1.00 C ATOM 703 CD PRO A 46 -15.391 -15.169 -4.164 1.00 1.00 C ATOM 0 HA PRO A 46 -13.610 -17.664 -5.191 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -16.641 -17.611 -5.041 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -15.534 -18.511 -4.023 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -16.801 -16.379 -3.021 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -15.124 -16.663 -2.597 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -16.231 -14.725 -4.698 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -15.015 -14.412 -3.476 1.00 1.00 H new ATOM 711 N LYS A 47 -15.890 -16.708 -7.349 1.00 1.00 N ATOM 712 CA LYS A 47 -16.321 -16.895 -8.727 1.00 1.00 C ATOM 713 C LYS A 47 -15.195 -16.587 -9.704 1.00 1.00 C ATOM 714 O LYS A 47 -14.966 -17.329 -10.655 1.00 1.00 O ATOM 715 CB LYS A 47 -17.525 -15.971 -9.018 1.00 1.00 C ATOM 716 CG LYS A 47 -18.087 -16.249 -10.429 1.00 1.00 C ATOM 717 CD LYS A 47 -19.389 -15.450 -10.662 1.00 1.00 C ATOM 718 CE LYS A 47 -19.132 -13.930 -10.645 1.00 1.00 C ATOM 719 NZ LYS A 47 -20.307 -13.238 -11.258 1.00 1.00 N ATOM 0 H LYS A 47 -16.454 -16.047 -6.815 1.00 1.00 H new ATOM 0 HA LYS A 47 -16.609 -17.938 -8.858 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -18.303 -16.131 -8.272 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -17.218 -14.928 -8.941 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -17.347 -15.977 -11.181 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -18.282 -17.315 -10.545 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -19.825 -15.735 -11.619 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -20.116 -15.705 -9.891 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -18.981 -13.584 -9.623 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -18.223 -13.694 -11.199 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -20.146 -12.211 -11.253 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -20.430 -13.564 -12.238 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -21.164 -13.457 -10.710 1.00 1.00 H new ATOM 733 N LEU A 48 -14.497 -15.478 -9.474 1.00 1.00 N ATOM 734 CA LEU A 48 -13.413 -15.070 -10.363 1.00 1.00 C ATOM 735 C LEU A 48 -12.333 -16.143 -10.406 1.00 1.00 C ATOM 736 O LEU A 48 -11.757 -16.410 -11.460 1.00 1.00 O ATOM 737 CB LEU A 48 -12.798 -13.732 -9.886 1.00 1.00 C ATOM 738 CG LEU A 48 -11.676 -13.240 -10.851 1.00 1.00 C ATOM 739 CD1 LEU A 48 -12.225 -12.977 -12.282 1.00 1.00 C ATOM 740 CD2 LEU A 48 -11.054 -11.953 -10.274 1.00 1.00 C ATOM 0 H LEU A 48 -14.660 -14.851 -8.687 1.00 1.00 H new ATOM 0 HA LEU A 48 -13.823 -14.935 -11.364 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -13.579 -12.975 -9.819 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -12.388 -13.856 -8.884 1.00 1.00 H new ATOM 0 HG LEU A 48 -10.919 -14.020 -10.934 1.00 1.00 H new ATOM 0 HD11 LEU A 48 -11.414 -12.636 -12.926 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -12.645 -13.898 -12.685 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -13.001 -12.212 -12.239 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -10.267 -11.599 -10.940 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -11.824 -11.187 -10.181 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -10.630 -12.162 -9.292 1.00 1.00 H new ATOM 752 N ASP A 49 -12.049 -16.735 -9.250 1.00 1.00 N ATOM 753 CA ASP A 49 -11.018 -17.762 -9.170 1.00 1.00 C ATOM 754 C ASP A 49 -11.394 -18.962 -10.037 1.00 1.00 C ATOM 755 O ASP A 49 -10.522 -19.754 -10.409 1.00 1.00 O ATOM 756 CB ASP A 49 -10.834 -18.211 -7.710 1.00 1.00 C ATOM 757 CG ASP A 49 -10.360 -17.039 -6.847 1.00 1.00 C ATOM 758 OD1 ASP A 49 -9.706 -16.159 -7.380 1.00 1.00 O ATOM 759 OD2 ASP A 49 -10.659 -17.047 -5.665 1.00 1.00 O ATOM 0 H ASP A 49 -12.512 -16.524 -8.366 1.00 1.00 H new ATOM 0 HA ASP A 49 -10.081 -17.343 -9.537 1.00 1.00 H new ATOM 0 HB2 ASP A 49 -11.775 -18.600 -7.321 1.00 1.00 H new ATOM 0 HB3 ASP A 49 -10.109 -19.023 -7.661 1.00 1.00 H new ATOM 764 N VAL A 50 -12.696 -19.096 -10.365 1.00 1.00 N ATOM 765 CA VAL A 50 -13.174 -20.218 -11.204 1.00 1.00 C ATOM 766 C VAL A 50 -13.186 -19.799 -12.679 1.00 1.00 C ATOM 767 O VAL A 50 -13.144 -20.652 -13.565 1.00 1.00 O ATOM 768 CB VAL A 50 -14.580 -20.660 -10.745 1.00 1.00 C ATOM 769 CG1 VAL A 50 -15.104 -21.827 -11.614 1.00 1.00 C ATOM 770 CG2 VAL A 50 -14.520 -21.092 -9.270 1.00 1.00 C ATOM 0 H VAL A 50 -13.428 -18.451 -10.067 1.00 1.00 H new ATOM 0 HA VAL A 50 -12.497 -21.065 -11.093 1.00 1.00 H new ATOM 0 HB VAL A 50 -15.265 -19.820 -10.857 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -16.096 -22.120 -11.270 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -15.160 -21.509 -12.655 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -14.426 -22.676 -11.530 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -15.511 -21.405 -8.942 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -13.823 -21.923 -9.162 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -14.183 -20.255 -8.659 1.00 1.00 H new ATOM 780 N VAL A 51 -13.234 -18.482 -12.943 1.00 1.00 N ATOM 781 CA VAL A 51 -13.239 -17.964 -14.325 1.00 1.00 C ATOM 782 C VAL A 51 -11.804 -17.823 -14.839 1.00 1.00 C ATOM 783 O VAL A 51 -11.580 -17.667 -16.026 1.00 1.00 O ATOM 784 CB VAL A 51 -13.981 -16.606 -14.381 1.00 1.00 C ATOM 785 CG1 VAL A 51 -13.909 -15.998 -15.811 1.00 1.00 C ATOM 786 CG2 VAL A 51 -15.452 -16.829 -13.988 1.00 1.00 C ATOM 0 H VAL A 51 -13.270 -17.760 -12.224 1.00 1.00 H new ATOM 0 HA VAL A 51 -13.765 -18.669 -14.969 1.00 1.00 H new ATOM 0 HB VAL A 51 -13.506 -15.910 -13.689 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -14.437 -15.044 -15.828 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -12.866 -15.841 -16.087 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -14.374 -16.682 -16.521 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -15.986 -15.879 -14.023 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -15.912 -17.530 -14.684 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -15.501 -17.235 -12.978 1.00 1.00 H new ATOM 796 N PHE A 52 -10.836 -17.901 -13.942 1.00 1.00 N ATOM 797 CA PHE A 52 -9.418 -17.815 -14.324 1.00 1.00 C ATOM 798 C PHE A 52 -9.017 -19.028 -15.195 1.00 1.00 C ATOM 799 O PHE A 52 -8.561 -18.843 -16.322 1.00 1.00 O ATOM 800 CB PHE A 52 -8.521 -17.765 -13.040 1.00 1.00 C ATOM 801 CG PHE A 52 -7.976 -16.350 -12.832 1.00 1.00 C ATOM 802 CD1 PHE A 52 -6.903 -15.902 -13.622 1.00 1.00 C ATOM 803 CD2 PHE A 52 -8.536 -15.493 -11.875 1.00 1.00 C ATOM 804 CE1 PHE A 52 -6.396 -14.613 -13.448 1.00 1.00 C ATOM 805 CE2 PHE A 52 -8.026 -14.206 -11.701 1.00 1.00 C ATOM 806 CZ PHE A 52 -6.957 -13.766 -12.488 1.00 1.00 C ATOM 0 H PHE A 52 -10.996 -18.024 -12.942 1.00 1.00 H new ATOM 0 HA PHE A 52 -9.269 -16.904 -14.903 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -9.102 -18.071 -12.170 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -7.695 -18.470 -13.136 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -6.470 -16.556 -14.365 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -9.365 -15.830 -11.270 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -5.571 -14.270 -14.055 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -8.457 -13.550 -10.959 1.00 1.00 H new ATOM 0 HZ PHE A 52 -6.564 -12.769 -12.354 1.00 1.00 H new ATOM 816 N PRO A 53 -9.149 -20.247 -14.695 1.00 1.00 N ATOM 817 CA PRO A 53 -8.752 -21.463 -15.474 1.00 1.00 C ATOM 818 C PRO A 53 -9.458 -21.532 -16.837 1.00 1.00 C ATOM 819 O PRO A 53 -8.954 -22.153 -17.771 1.00 1.00 O ATOM 820 CB PRO A 53 -9.138 -22.643 -14.528 1.00 1.00 C ATOM 821 CG PRO A 53 -10.162 -22.055 -13.604 1.00 1.00 C ATOM 822 CD PRO A 53 -9.681 -20.621 -13.364 1.00 1.00 C ATOM 0 HA PRO A 53 -7.694 -21.475 -15.734 1.00 1.00 H new ATOM 0 HB2 PRO A 53 -9.544 -23.486 -15.088 1.00 1.00 H new ATOM 0 HB3 PRO A 53 -8.272 -23.013 -13.979 1.00 1.00 H new ATOM 0 HG2 PRO A 53 -11.156 -22.071 -14.051 1.00 1.00 H new ATOM 0 HG3 PRO A 53 -10.223 -22.615 -12.671 1.00 1.00 H new ATOM 0 HD2 PRO A 53 -10.493 -19.965 -13.051 1.00 1.00 H new ATOM 0 HD3 PRO A 53 -8.915 -20.572 -12.590 1.00 1.00 H new ATOM 830 N HIS A 54 -10.619 -20.887 -16.952 1.00 1.00 N ATOM 831 CA HIS A 54 -11.370 -20.881 -18.215 1.00 1.00 C ATOM 832 C HIS A 54 -10.600 -20.121 -19.311 1.00 1.00 C ATOM 833 O HIS A 54 -11.097 -19.945 -20.421 1.00 1.00 O ATOM 834 CB HIS A 54 -12.761 -20.244 -17.973 1.00 1.00 C ATOM 835 CG HIS A 54 -13.673 -21.229 -17.285 1.00 1.00 C ATOM 836 ND1 HIS A 54 -13.706 -21.392 -15.909 1.00 1.00 N ATOM 837 CD2 HIS A 54 -14.576 -22.127 -17.790 1.00 1.00 C ATOM 838 CE1 HIS A 54 -14.601 -22.362 -15.637 1.00 1.00 C ATOM 839 NE2 HIS A 54 -15.162 -22.842 -16.750 1.00 1.00 N ATOM 0 H HIS A 54 -11.060 -20.365 -16.195 1.00 1.00 H new ATOM 0 HA HIS A 54 -11.499 -21.907 -18.561 1.00 1.00 H new ATOM 0 HB2 HIS A 54 -12.657 -19.347 -17.363 1.00 1.00 H new ATOM 0 HB3 HIS A 54 -13.198 -19.935 -18.923 1.00 1.00 H new ATOM 0 HD1 HIS A 54 -13.154 -20.873 -15.227 1.00 1.00 H new ATOM 0 HD2 HIS A 54 -14.800 -22.260 -18.838 1.00 1.00 H new ATOM 0 HE1 HIS A 54 -14.836 -22.709 -14.641 1.00 1.00 H new ATOM 848 N PHE A 55 -9.385 -19.676 -18.982 1.00 1.00 N ATOM 849 CA PHE A 55 -8.523 -18.945 -19.924 1.00 1.00 C ATOM 850 C PHE A 55 -7.111 -19.527 -19.916 1.00 1.00 C ATOM 851 O PHE A 55 -6.498 -19.678 -20.968 1.00 1.00 O ATOM 852 CB PHE A 55 -8.471 -17.460 -19.495 1.00 1.00 C ATOM 853 CG PHE A 55 -9.744 -16.744 -19.949 1.00 1.00 C ATOM 854 CD1 PHE A 55 -10.918 -16.864 -19.195 1.00 1.00 C ATOM 855 CD2 PHE A 55 -9.754 -15.978 -21.126 1.00 1.00 C ATOM 856 CE1 PHE A 55 -12.090 -16.221 -19.606 1.00 1.00 C ATOM 857 CE2 PHE A 55 -10.926 -15.337 -21.539 1.00 1.00 C ATOM 858 CZ PHE A 55 -12.094 -15.458 -20.779 1.00 1.00 C ATOM 0 H PHE A 55 -8.969 -19.810 -18.060 1.00 1.00 H new ATOM 0 HA PHE A 55 -8.929 -19.035 -20.931 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -8.369 -17.388 -18.412 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -7.596 -16.977 -19.930 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -10.918 -17.456 -18.292 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -8.853 -15.884 -21.714 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -12.991 -16.313 -19.018 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -10.929 -14.749 -22.445 1.00 1.00 H new ATOM 0 HZ PHE A 55 -12.999 -14.962 -21.098 1.00 1.00 H new ATOM 868 N ILE A 56 -6.596 -19.868 -18.739 1.00 1.00 N ATOM 869 CA ILE A 56 -5.241 -20.426 -18.641 1.00 1.00 C ATOM 870 C ILE A 56 -5.206 -21.783 -19.348 1.00 1.00 C ATOM 871 O ILE A 56 -4.261 -22.095 -20.068 1.00 1.00 O ATOM 872 CB ILE A 56 -4.806 -20.548 -17.169 1.00 1.00 C ATOM 873 CG1 ILE A 56 -4.941 -19.167 -16.474 1.00 1.00 C ATOM 874 CG2 ILE A 56 -3.344 -21.026 -17.105 1.00 1.00 C ATOM 875 CD1 ILE A 56 -4.701 -19.302 -14.964 1.00 1.00 C ATOM 0 H ILE A 56 -7.084 -19.772 -17.848 1.00 1.00 H new ATOM 0 HA ILE A 56 -4.535 -19.755 -19.130 1.00 1.00 H new ATOM 0 HB ILE A 56 -5.442 -21.270 -16.657 1.00 1.00 H new ATOM 0 HG12 ILE A 56 -4.224 -18.466 -16.901 1.00 1.00 H new ATOM 0 HG13 ILE A 56 -5.935 -18.757 -16.656 1.00 1.00 H new ATOM 0 HG21 ILE A 56 -3.035 -21.113 -16.063 1.00 1.00 H new ATOM 0 HG22 ILE A 56 -3.257 -21.998 -17.591 1.00 1.00 H new ATOM 0 HG23 ILE A 56 -2.703 -20.307 -17.615 1.00 1.00 H new ATOM 0 HD11 ILE A 56 -4.799 -18.325 -14.491 1.00 1.00 H new ATOM 0 HD12 ILE A 56 -5.435 -19.986 -14.539 1.00 1.00 H new ATOM 0 HD13 ILE A 56 -3.698 -19.691 -14.788 1.00 1.00 H new ATOM 887 N SER A 57 -6.245 -22.584 -19.131 1.00 1.00 N ATOM 888 CA SER A 57 -6.339 -23.904 -19.752 1.00 1.00 C ATOM 889 C SER A 57 -6.261 -23.799 -21.276 1.00 1.00 C ATOM 890 O SER A 57 -5.601 -24.608 -21.930 1.00 1.00 O ATOM 891 CB SER A 57 -7.672 -24.553 -19.358 1.00 1.00 C ATOM 892 OG SER A 57 -8.747 -23.749 -19.830 1.00 1.00 O ATOM 0 H SER A 57 -7.034 -22.344 -18.531 1.00 1.00 H new ATOM 0 HA SER A 57 -5.504 -24.512 -19.403 1.00 1.00 H new ATOM 0 HB2 SER A 57 -7.740 -25.555 -19.781 1.00 1.00 H new ATOM 0 HB3 SER A 57 -7.731 -24.659 -18.275 1.00 1.00 H new ATOM 0 HG SER A 57 -8.792 -22.922 -19.306 1.00 1.00 H new ATOM 898 N GLN A 58 -6.947 -22.803 -21.838 1.00 1.00 N ATOM 899 CA GLN A 58 -6.953 -22.604 -23.290 1.00 1.00 C ATOM 900 C GLN A 58 -5.568 -22.189 -23.783 1.00 1.00 C ATOM 901 O GLN A 58 -4.992 -22.858 -24.634 1.00 1.00 O ATOM 902 CB GLN A 58 -7.968 -21.519 -23.665 1.00 1.00 C ATOM 903 CG GLN A 58 -9.377 -21.961 -23.260 1.00 1.00 C ATOM 904 CD GLN A 58 -10.387 -20.877 -23.620 1.00 1.00 C ATOM 905 OE1 GLN A 58 -10.125 -19.691 -23.419 1.00 1.00 O ATOM 906 NE2 GLN A 58 -11.530 -21.220 -24.141 1.00 1.00 N ATOM 0 H GLN A 58 -7.502 -22.125 -21.315 1.00 1.00 H new ATOM 0 HA GLN A 58 -7.230 -23.546 -23.763 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -7.714 -20.583 -23.167 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -7.931 -21.329 -24.738 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -9.634 -22.892 -23.765 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -9.411 -22.160 -22.189 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -11.741 -22.204 -24.305 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -12.214 -20.504 -24.385 1.00 1.00 H new ATOM 915 N ILE A 59 -5.024 -21.097 -23.233 1.00 1.00 N ATOM 916 CA ILE A 59 -3.692 -20.623 -23.643 1.00 1.00 C ATOM 917 C ILE A 59 -2.670 -21.753 -23.481 1.00 1.00 C ATOM 918 O ILE A 59 -1.865 -21.993 -24.366 1.00 1.00 O ATOM 919 CB ILE A 59 -3.295 -19.351 -22.799 1.00 1.00 C ATOM 920 CG1 ILE A 59 -3.816 -18.042 -23.468 1.00 1.00 C ATOM 921 CG2 ILE A 59 -1.751 -19.230 -22.609 1.00 1.00 C ATOM 922 CD1 ILE A 59 -5.347 -18.010 -23.514 1.00 1.00 C ATOM 0 H ILE A 59 -5.475 -20.531 -22.514 1.00 1.00 H new ATOM 0 HA ILE A 59 -3.708 -20.334 -24.694 1.00 1.00 H new ATOM 0 HB ILE A 59 -3.763 -19.479 -21.823 1.00 1.00 H new ATOM 0 HG12 ILE A 59 -3.449 -17.178 -22.915 1.00 1.00 H new ATOM 0 HG13 ILE A 59 -3.418 -17.965 -24.480 1.00 1.00 H new ATOM 0 HG21 ILE A 59 -1.525 -18.340 -22.022 1.00 1.00 H new ATOM 0 HG22 ILE A 59 -1.378 -20.112 -22.088 1.00 1.00 H new ATOM 0 HG23 ILE A 59 -1.269 -19.154 -23.584 1.00 1.00 H new ATOM 0 HD11 ILE A 59 -5.678 -17.085 -23.986 1.00 1.00 H new ATOM 0 HD12 ILE A 59 -5.712 -18.861 -24.089 1.00 1.00 H new ATOM 0 HD13 ILE A 59 -5.743 -18.061 -22.500 1.00 1.00 H new ATOM 934 N GLU A 60 -2.707 -22.444 -22.355 1.00 1.00 N ATOM 935 CA GLU A 60 -1.774 -23.539 -22.122 1.00 1.00 C ATOM 936 C GLU A 60 -1.795 -24.541 -23.292 1.00 1.00 C ATOM 937 O GLU A 60 -0.752 -25.078 -23.678 1.00 1.00 O ATOM 938 CB GLU A 60 -2.144 -24.255 -20.811 1.00 1.00 C ATOM 939 CG GLU A 60 -1.082 -25.307 -20.457 1.00 1.00 C ATOM 940 CD GLU A 60 -1.427 -25.992 -19.138 1.00 1.00 C ATOM 941 OE1 GLU A 60 -2.240 -25.461 -18.400 1.00 1.00 O ATOM 942 OE2 GLU A 60 -0.868 -27.047 -18.885 1.00 1.00 O ATOM 0 H GLU A 60 -3.364 -22.271 -21.594 1.00 1.00 H new ATOM 0 HA GLU A 60 -0.767 -23.129 -22.046 1.00 1.00 H new ATOM 0 HB2 GLU A 60 -2.228 -23.528 -20.003 1.00 1.00 H new ATOM 0 HB3 GLU A 60 -3.118 -24.733 -20.913 1.00 1.00 H new ATOM 0 HG2 GLU A 60 -1.017 -26.049 -21.253 1.00 1.00 H new ATOM 0 HG3 GLU A 60 -0.103 -24.833 -20.382 1.00 1.00 H new ATOM 949 N SER A 61 -2.991 -24.787 -23.848 1.00 1.00 N ATOM 950 CA SER A 61 -3.142 -25.719 -24.981 1.00 1.00 C ATOM 951 C SER A 61 -2.678 -25.074 -26.293 1.00 1.00 C ATOM 952 O SER A 61 -2.157 -25.756 -27.174 1.00 1.00 O ATOM 953 CB SER A 61 -4.588 -26.191 -25.095 1.00 1.00 C ATOM 954 OG SER A 61 -5.395 -25.123 -25.583 1.00 1.00 O ATOM 0 H SER A 61 -3.863 -24.359 -23.536 1.00 1.00 H new ATOM 0 HA SER A 61 -2.509 -26.586 -24.792 1.00 1.00 H new ATOM 0 HB2 SER A 61 -4.651 -27.047 -25.767 1.00 1.00 H new ATOM 0 HB3 SER A 61 -4.952 -26.522 -24.123 1.00 1.00 H new ATOM 0 HG SER A 61 -5.419 -24.402 -24.920 1.00 1.00 H new ATOM 960 N MET A 62 -2.857 -23.755 -26.415 1.00 1.00 N ATOM 961 CA MET A 62 -2.432 -23.037 -27.625 1.00 1.00 C ATOM 962 C MET A 62 -0.939 -23.268 -27.883 1.00 1.00 C ATOM 963 O MET A 62 -0.496 -23.274 -29.028 1.00 1.00 O ATOM 964 CB MET A 62 -2.715 -21.528 -27.463 1.00 1.00 C ATOM 965 CG MET A 62 -4.234 -21.250 -27.462 1.00 1.00 C ATOM 966 SD MET A 62 -4.906 -21.472 -29.129 1.00 1.00 S ATOM 967 CE MET A 62 -4.533 -19.822 -29.783 1.00 1.00 C ATOM 0 H MET A 62 -3.288 -23.167 -25.701 1.00 1.00 H new ATOM 0 HA MET A 62 -2.995 -23.417 -28.478 1.00 1.00 H new ATOM 0 HB2 MET A 62 -2.275 -21.169 -26.533 1.00 1.00 H new ATOM 0 HB3 MET A 62 -2.241 -20.976 -28.274 1.00 1.00 H new ATOM 0 HG2 MET A 62 -4.735 -21.924 -26.767 1.00 1.00 H new ATOM 0 HG3 MET A 62 -4.426 -20.234 -27.116 1.00 1.00 H new ATOM 0 HE1 MET A 62 -4.326 -19.892 -30.851 1.00 1.00 H new ATOM 0 HE2 MET A 62 -5.388 -19.165 -29.621 1.00 1.00 H new ATOM 0 HE3 MET A 62 -3.661 -19.416 -29.270 1.00 1.00 H new ATOM 977 N LEU A 63 -0.170 -23.450 -26.816 1.00 1.00 N ATOM 978 CA LEU A 63 1.276 -23.677 -26.949 1.00 1.00 C ATOM 979 C LEU A 63 1.526 -24.957 -27.745 1.00 1.00 C ATOM 980 O LEU A 63 2.459 -25.033 -28.537 1.00 1.00 O ATOM 981 CB LEU A 63 1.930 -23.761 -25.559 1.00 1.00 C ATOM 982 CG LEU A 63 1.557 -22.527 -24.706 1.00 1.00 C ATOM 983 CD1 LEU A 63 2.179 -22.675 -23.307 1.00 1.00 C ATOM 984 CD2 LEU A 63 2.051 -21.212 -25.372 1.00 1.00 C ATOM 0 H LEU A 63 -0.513 -23.446 -25.855 1.00 1.00 H new ATOM 0 HA LEU A 63 1.724 -22.840 -27.485 1.00 1.00 H new ATOM 0 HB2 LEU A 63 1.606 -24.671 -25.053 1.00 1.00 H new ATOM 0 HB3 LEU A 63 3.013 -23.823 -25.664 1.00 1.00 H new ATOM 0 HG LEU A 63 0.471 -22.472 -24.626 1.00 1.00 H new ATOM 0 HD11 LEU A 63 1.920 -21.808 -22.700 1.00 1.00 H new ATOM 0 HD12 LEU A 63 1.796 -23.578 -22.832 1.00 1.00 H new ATOM 0 HD13 LEU A 63 3.263 -22.744 -23.396 1.00 1.00 H new ATOM 0 HD21 LEU A 63 1.774 -20.362 -24.749 1.00 1.00 H new ATOM 0 HD22 LEU A 63 3.135 -21.244 -25.481 1.00 1.00 H new ATOM 0 HD23 LEU A 63 1.591 -21.107 -26.355 1.00 1.00 H new ATOM 996 N THR A 64 0.677 -25.963 -27.525 1.00 1.00 N ATOM 997 CA THR A 64 0.782 -27.242 -28.234 1.00 1.00 C ATOM 998 C THR A 64 -0.083 -27.218 -29.496 1.00 1.00 C ATOM 999 O THR A 64 0.420 -27.412 -30.605 1.00 1.00 O ATOM 1000 CB THR A 64 0.327 -28.389 -27.306 1.00 1.00 C ATOM 1001 OG1 THR A 64 1.013 -28.274 -26.068 1.00 1.00 O ATOM 1002 CG2 THR A 64 0.640 -29.757 -27.938 1.00 1.00 C ATOM 0 H THR A 64 -0.094 -25.917 -26.859 1.00 1.00 H new ATOM 0 HA THR A 64 1.820 -27.404 -28.524 1.00 1.00 H new ATOM 0 HB THR A 64 -0.750 -28.318 -27.153 1.00 1.00 H new ATOM 0 HG1 THR A 64 0.731 -28.997 -25.469 1.00 1.00 H new ATOM 0 HG21 THR A 64 0.311 -30.551 -27.268 1.00 1.00 H new ATOM 0 HG22 THR A 64 0.117 -29.846 -28.890 1.00 1.00 H new ATOM 0 HG23 THR A 64 1.714 -29.844 -28.104 1.00 1.00 H new ATOM 1010 N THR A 65 -1.385 -26.993 -29.330 1.00 1.00 N ATOM 1011 CA THR A 65 -2.289 -26.968 -30.478 1.00 1.00 C ATOM 1012 C THR A 65 -2.002 -25.781 -31.405 1.00 1.00 C ATOM 1013 O THR A 65 -1.998 -25.930 -32.629 1.00 1.00 O ATOM 1014 CB THR A 65 -3.742 -26.897 -29.975 1.00 1.00 C ATOM 1015 OG1 THR A 65 -3.951 -27.912 -29.004 1.00 1.00 O ATOM 1016 CG2 THR A 65 -4.718 -27.099 -31.138 1.00 1.00 C ATOM 0 H THR A 65 -1.832 -26.828 -28.428 1.00 1.00 H new ATOM 0 HA THR A 65 -2.132 -27.880 -31.054 1.00 1.00 H new ATOM 0 HB THR A 65 -3.917 -25.916 -29.533 1.00 1.00 H new ATOM 0 HG1 THR A 65 -4.875 -27.869 -28.680 1.00 1.00 H new ATOM 0 HG21 THR A 65 -5.742 -27.046 -30.767 1.00 1.00 H new ATOM 0 HG22 THR A 65 -4.562 -26.320 -31.884 1.00 1.00 H new ATOM 0 HG23 THR A 65 -4.546 -28.075 -31.592 1.00 1.00 H new ATOM 1024 N GLY A 66 -1.768 -24.604 -30.818 1.00 1.00 N ATOM 1025 CA GLY A 66 -1.489 -23.390 -31.600 1.00 1.00 C ATOM 1026 C GLY A 66 -0.019 -23.326 -31.979 1.00 1.00 C ATOM 1027 O GLY A 66 0.391 -22.496 -32.792 1.00 1.00 O ATOM 0 H GLY A 66 -1.765 -24.463 -29.808 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -2.103 -23.381 -32.500 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -1.760 -22.507 -31.021 1.00 1.00 H new ATOM 1031 N GLU A 67 0.776 -24.216 -31.377 1.00 1.00 N ATOM 1032 CA GLU A 67 2.218 -24.272 -31.640 1.00 1.00 C ATOM 1033 C GLU A 67 2.820 -22.873 -31.571 1.00 1.00 C ATOM 1034 O GLU A 67 3.057 -22.246 -32.604 1.00 1.00 O ATOM 1035 CB GLU A 67 2.464 -24.862 -33.033 1.00 1.00 C ATOM 1036 CG GLU A 67 1.938 -26.299 -33.088 1.00 1.00 C ATOM 1037 CD GLU A 67 2.159 -26.901 -34.475 1.00 1.00 C ATOM 1038 OE1 GLU A 67 2.716 -26.225 -35.327 1.00 1.00 O ATOM 1039 OE2 GLU A 67 1.766 -28.040 -34.665 1.00 1.00 O ATOM 0 H GLU A 67 0.446 -24.908 -30.704 1.00 1.00 H new ATOM 0 HA GLU A 67 2.690 -24.901 -30.885 1.00 1.00 H new ATOM 0 HB2 GLU A 67 1.967 -24.254 -33.789 1.00 1.00 H new ATOM 0 HB3 GLU A 67 3.530 -24.846 -33.262 1.00 1.00 H new ATOM 0 HG2 GLU A 67 2.444 -26.906 -32.337 1.00 1.00 H new ATOM 0 HG3 GLU A 67 0.875 -26.312 -32.845 1.00 1.00 H new ATOM 1046 N LEU A 68 3.027 -22.355 -30.363 1.00 1.00 N ATOM 1047 CA LEU A 68 3.567 -21.000 -30.222 1.00 1.00 C ATOM 1048 C LEU A 68 5.088 -21.077 -30.262 1.00 1.00 C ATOM 1049 O LEU A 68 5.698 -21.829 -29.498 1.00 1.00 O ATOM 1050 CB LEU A 68 3.070 -20.384 -28.883 1.00 1.00 C ATOM 1051 CG LEU A 68 2.926 -18.834 -28.983 1.00 1.00 C ATOM 1052 CD1 LEU A 68 4.265 -18.195 -29.431 1.00 1.00 C ATOM 1053 CD2 LEU A 68 1.767 -18.439 -29.967 1.00 1.00 C ATOM 0 H LEU A 68 2.835 -22.837 -29.485 1.00 1.00 H new ATOM 0 HA LEU A 68 3.225 -20.361 -31.036 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.109 -20.823 -28.614 1.00 1.00 H new ATOM 0 HB3 LEU A 68 3.769 -20.634 -28.085 1.00 1.00 H new ATOM 0 HG LEU A 68 2.672 -18.451 -27.995 1.00 1.00 H new ATOM 0 HD11 LEU A 68 4.148 -17.113 -29.496 1.00 1.00 H new ATOM 0 HD12 LEU A 68 5.043 -18.433 -28.705 1.00 1.00 H new ATOM 0 HD13 LEU A 68 4.547 -18.589 -30.407 1.00 1.00 H new ATOM 0 HD21 LEU A 68 1.688 -17.353 -30.019 1.00 1.00 H new ATOM 0 HD22 LEU A 68 1.982 -18.835 -30.960 1.00 1.00 H new ATOM 0 HD23 LEU A 68 0.826 -18.855 -29.606 1.00 1.00 H new ATOM 1065 N ASN A 69 5.702 -20.290 -31.146 1.00 1.00 N ATOM 1066 CA ASN A 69 7.157 -20.278 -31.282 1.00 1.00 C ATOM 1067 C ASN A 69 7.655 -18.863 -31.633 1.00 1.00 C ATOM 1068 O ASN A 69 6.927 -18.099 -32.265 1.00 1.00 O ATOM 1069 CB ASN A 69 7.543 -21.264 -32.401 1.00 1.00 C ATOM 1070 CG ASN A 69 7.250 -22.694 -31.946 1.00 1.00 C ATOM 1071 OD1 ASN A 69 7.918 -23.204 -31.044 1.00 1.00 O ATOM 1072 ND2 ASN A 69 6.280 -23.360 -32.502 1.00 1.00 N ATOM 0 H ASN A 69 5.215 -19.654 -31.777 1.00 1.00 H new ATOM 0 HA ASN A 69 7.619 -20.574 -30.340 1.00 1.00 H new ATOM 0 HB2 ASN A 69 6.983 -21.038 -33.308 1.00 1.00 H new ATOM 0 HB3 ASN A 69 8.600 -21.158 -32.644 1.00 1.00 H new ATOM 0 HD21 ASN A 69 6.069 -24.309 -32.192 1.00 1.00 H new ATOM 0 HD22 ASN A 69 5.730 -22.933 -33.248 1.00 1.00 H new ATOM 1079 N PRO A 70 8.869 -18.494 -31.248 1.00 1.00 N ATOM 1080 CA PRO A 70 9.421 -17.132 -31.562 1.00 1.00 C ATOM 1081 C PRO A 70 9.522 -16.896 -33.075 1.00 1.00 C ATOM 1082 O PRO A 70 10.563 -17.170 -33.680 1.00 1.00 O ATOM 1083 CB PRO A 70 10.819 -17.135 -30.883 1.00 1.00 C ATOM 1084 CG PRO A 70 11.171 -18.587 -30.744 1.00 1.00 C ATOM 1085 CD PRO A 70 9.846 -19.297 -30.471 1.00 1.00 C ATOM 0 HA PRO A 70 8.783 -16.327 -31.199 1.00 1.00 H new ATOM 0 HB2 PRO A 70 11.555 -16.605 -31.488 1.00 1.00 H new ATOM 0 HB3 PRO A 70 10.789 -16.640 -29.912 1.00 1.00 H new ATOM 0 HG2 PRO A 70 11.641 -18.967 -31.651 1.00 1.00 H new ATOM 0 HG3 PRO A 70 11.877 -18.745 -29.929 1.00 1.00 H new ATOM 0 HD2 PRO A 70 9.869 -20.335 -30.802 1.00 1.00 H new ATOM 0 HD3 PRO A 70 9.605 -19.307 -29.408 1.00 1.00 H new ATOM 1093 N ARG A 71 8.434 -16.395 -33.678 1.00 1.00 N ATOM 1094 CA ARG A 71 8.383 -16.123 -35.129 1.00 1.00 C ATOM 1095 C ARG A 71 7.800 -14.743 -35.394 1.00 1.00 C ATOM 1096 O ARG A 71 8.453 -13.885 -35.987 1.00 1.00 O ATOM 1097 CB ARG A 71 7.512 -17.190 -35.815 1.00 1.00 C ATOM 1098 CG ARG A 71 8.135 -18.575 -35.589 1.00 1.00 C ATOM 1099 CD ARG A 71 7.301 -19.652 -36.288 1.00 1.00 C ATOM 1100 NE ARG A 71 7.344 -19.445 -37.735 1.00 1.00 N ATOM 1101 CZ ARG A 71 6.643 -20.211 -38.573 1.00 1.00 C ATOM 1102 NH1 ARG A 71 5.908 -21.189 -38.113 1.00 1.00 N ATOM 1103 NH2 ARG A 71 6.699 -19.987 -39.857 1.00 1.00 N ATOM 0 H ARG A 71 7.571 -16.168 -33.183 1.00 1.00 H new ATOM 0 HA ARG A 71 9.396 -16.156 -35.530 1.00 1.00 H new ATOM 0 HB2 ARG A 71 6.500 -17.164 -35.412 1.00 1.00 H new ATOM 0 HB3 ARG A 71 7.436 -16.983 -36.882 1.00 1.00 H new ATOM 0 HG2 ARG A 71 9.155 -18.589 -35.972 1.00 1.00 H new ATOM 0 HG3 ARG A 71 8.193 -18.786 -34.521 1.00 1.00 H new ATOM 0 HD2 ARG A 71 7.686 -20.641 -36.041 1.00 1.00 H new ATOM 0 HD3 ARG A 71 6.270 -19.614 -35.936 1.00 1.00 H new ATOM 0 HE ARG A 71 7.924 -18.696 -38.113 1.00 1.00 H new ATOM 0 HH11 ARG A 71 5.869 -21.369 -37.110 1.00 1.00 H new ATOM 0 HH12 ARG A 71 5.374 -21.772 -38.757 1.00 1.00 H new ATOM 0 HH21 ARG A 71 7.277 -19.228 -40.218 1.00 1.00 H new ATOM 0 HH22 ARG A 71 6.164 -20.571 -40.500 1.00 1.00 H new ATOM 1117 N HIS A 72 6.556 -14.532 -34.955 1.00 1.00 N ATOM 1118 CA HIS A 72 5.879 -13.242 -35.152 1.00 1.00 C ATOM 1119 C HIS A 72 4.821 -13.008 -34.070 1.00 1.00 C ATOM 1120 O HIS A 72 4.094 -13.924 -33.688 1.00 1.00 O ATOM 1121 CB HIS A 72 5.212 -13.223 -36.534 1.00 1.00 C ATOM 1122 CG HIS A 72 6.253 -13.444 -37.601 1.00 1.00 C ATOM 1123 ND1 HIS A 72 7.166 -12.463 -37.959 1.00 1.00 N ATOM 1124 CD2 HIS A 72 6.554 -14.536 -38.380 1.00 1.00 C ATOM 1125 CE1 HIS A 72 7.966 -12.980 -38.910 1.00 1.00 C ATOM 1126 NE2 HIS A 72 7.636 -14.240 -39.203 1.00 1.00 N ATOM 0 H HIS A 72 5.998 -15.231 -34.464 1.00 1.00 H new ATOM 0 HA HIS A 72 6.621 -12.447 -35.085 1.00 1.00 H new ATOM 0 HB2 HIS A 72 4.448 -13.998 -36.591 1.00 1.00 H new ATOM 0 HB3 HIS A 72 4.710 -12.269 -36.694 1.00 1.00 H new ATOM 0 HD2 HIS A 72 6.030 -15.480 -38.357 1.00 1.00 H new ATOM 0 HE1 HIS A 72 8.776 -12.441 -39.379 1.00 1.00 H new ATOM 0 HE2 HIS A 72 8.082 -14.854 -39.884 1.00 1.00 H new ATOM 1135 N ALA A 73 4.736 -11.763 -33.595 1.00 1.00 N ATOM 1136 CA ALA A 73 3.764 -11.399 -32.572 1.00 1.00 C ATOM 1137 C ALA A 73 2.355 -11.458 -33.157 1.00 1.00 C ATOM 1138 O ALA A 73 2.072 -10.830 -34.178 1.00 1.00 O ATOM 1139 CB ALA A 73 4.055 -9.978 -32.078 1.00 1.00 C ATOM 0 H ALA A 73 5.330 -10.994 -33.905 1.00 1.00 H new ATOM 0 HA ALA A 73 3.836 -12.097 -31.738 1.00 1.00 H new ATOM 0 HB1 ALA A 73 3.329 -9.703 -31.313 1.00 1.00 H new ATOM 0 HB2 ALA A 73 5.060 -9.938 -31.657 1.00 1.00 H new ATOM 0 HB3 ALA A 73 3.984 -9.281 -32.913 1.00 1.00 H new ATOM 1145 N GLN A 74 1.469 -12.214 -32.495 1.00 1.00 N ATOM 1146 CA GLN A 74 0.078 -12.354 -32.939 1.00 1.00 C ATOM 1147 C GLN A 74 -0.845 -12.300 -31.728 1.00 1.00 C ATOM 1148 O GLN A 74 -0.958 -13.269 -30.977 1.00 1.00 O ATOM 1149 CB GLN A 74 -0.102 -13.702 -33.659 1.00 1.00 C ATOM 1150 CG GLN A 74 0.768 -13.743 -34.924 1.00 1.00 C ATOM 1151 CD GLN A 74 0.554 -15.058 -35.673 1.00 1.00 C ATOM 1152 OE1 GLN A 74 -0.355 -15.166 -36.496 1.00 1.00 O ATOM 1153 NE2 GLN A 74 1.344 -16.068 -35.434 1.00 1.00 N ATOM 0 H GLN A 74 1.692 -12.738 -31.649 1.00 1.00 H new ATOM 0 HA GLN A 74 -0.168 -11.543 -33.624 1.00 1.00 H new ATOM 0 HB2 GLN A 74 0.173 -14.519 -32.992 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -1.150 -13.845 -33.924 1.00 1.00 H new ATOM 0 HG2 GLN A 74 0.519 -12.903 -35.572 1.00 1.00 H new ATOM 0 HG3 GLN A 74 1.819 -13.637 -34.654 1.00 1.00 H new ATOM 0 HE21 GLN A 74 2.097 -15.976 -34.752 1.00 1.00 H new ATOM 0 HE22 GLN A 74 1.209 -16.949 -35.929 1.00 1.00 H new ATOM 1162 N CYS A 75 -1.505 -11.157 -31.547 1.00 1.00 N ATOM 1163 CA CYS A 75 -2.425 -10.968 -30.428 1.00 1.00 C ATOM 1164 C CYS A 75 -3.752 -11.650 -30.730 1.00 1.00 C ATOM 1165 O CYS A 75 -4.265 -11.530 -31.843 1.00 1.00 O ATOM 1166 CB CYS A 75 -2.659 -9.468 -30.193 1.00 1.00 C ATOM 1167 SG CYS A 75 -3.702 -9.250 -28.730 1.00 1.00 S ATOM 0 H CYS A 75 -1.419 -10.348 -32.162 1.00 1.00 H new ATOM 0 HA CYS A 75 -1.989 -11.409 -29.531 1.00 1.00 H new ATOM 0 HB2 CYS A 75 -1.706 -8.957 -30.055 1.00 1.00 H new ATOM 0 HB3 CYS A 75 -3.137 -9.021 -31.065 1.00 1.00 H new ATOM 0 HG CYS A 75 -3.277 -10.023 -27.775 1.00 1.00 H new ATOM 1173 N VAL A 76 -4.307 -12.366 -29.737 1.00 1.00 N ATOM 1174 CA VAL A 76 -5.599 -13.072 -29.897 1.00 1.00 C ATOM 1175 C VAL A 76 -6.548 -12.628 -28.786 1.00 1.00 C ATOM 1176 O VAL A 76 -6.145 -12.532 -27.624 1.00 1.00 O ATOM 1177 CB VAL A 76 -5.375 -14.596 -29.841 1.00 1.00 C ATOM 1178 CG1 VAL A 76 -6.693 -15.338 -30.118 1.00 1.00 C ATOM 1179 CG2 VAL A 76 -4.321 -14.999 -30.887 1.00 1.00 C ATOM 0 H VAL A 76 -3.885 -12.474 -28.815 1.00 1.00 H new ATOM 0 HA VAL A 76 -6.038 -12.827 -30.864 1.00 1.00 H new ATOM 0 HB VAL A 76 -5.023 -14.867 -28.846 1.00 1.00 H new ATOM 0 HG11 VAL A 76 -6.521 -16.413 -30.076 1.00 1.00 H new ATOM 0 HG12 VAL A 76 -7.432 -15.059 -29.367 1.00 1.00 H new ATOM 0 HG13 VAL A 76 -7.061 -15.068 -31.108 1.00 1.00 H new ATOM 0 HG21 VAL A 76 -4.163 -16.077 -30.847 1.00 1.00 H new ATOM 0 HG22 VAL A 76 -4.670 -14.720 -31.881 1.00 1.00 H new ATOM 0 HG23 VAL A 76 -3.383 -14.486 -30.674 1.00 1.00 H new ATOM 1189 N THR A 77 -7.812 -12.361 -29.144 1.00 1.00 N ATOM 1190 CA THR A 77 -8.836 -11.925 -28.177 1.00 1.00 C ATOM 1191 C THR A 77 -9.946 -12.963 -28.109 1.00 1.00 C ATOM 1192 O THR A 77 -10.704 -13.136 -29.065 1.00 1.00 O ATOM 1193 CB THR A 77 -9.419 -10.580 -28.631 1.00 1.00 C ATOM 1194 OG1 THR A 77 -10.023 -10.743 -29.904 1.00 1.00 O ATOM 1195 CG2 THR A 77 -8.297 -9.533 -28.723 1.00 1.00 C ATOM 0 H THR A 77 -8.154 -12.439 -30.102 1.00 1.00 H new ATOM 0 HA THR A 77 -8.385 -11.815 -27.191 1.00 1.00 H new ATOM 0 HB THR A 77 -10.164 -10.242 -27.911 1.00 1.00 H new ATOM 0 HG1 THR A 77 -10.470 -11.614 -29.945 1.00 1.00 H new ATOM 0 HG21 THR A 77 -8.715 -8.579 -29.046 1.00 1.00 H new ATOM 0 HG22 THR A 77 -7.831 -9.413 -27.745 1.00 1.00 H new ATOM 0 HG23 THR A 77 -7.549 -9.864 -29.444 1.00 1.00 H new ATOM 1203 N LEU A 78 -10.036 -13.658 -26.976 1.00 1.00 N ATOM 1204 CA LEU A 78 -11.060 -14.688 -26.765 1.00 1.00 C ATOM 1205 C LEU A 78 -12.298 -14.044 -26.156 1.00 1.00 C ATOM 1206 O LEU A 78 -12.225 -12.943 -25.605 1.00 1.00 O ATOM 1207 CB LEU A 78 -10.509 -15.768 -25.819 1.00 1.00 C ATOM 1208 CG LEU A 78 -9.173 -16.335 -26.350 1.00 1.00 C ATOM 1209 CD1 LEU A 78 -8.637 -17.381 -25.352 1.00 1.00 C ATOM 1210 CD2 LEU A 78 -9.357 -16.990 -27.747 1.00 1.00 C ATOM 0 H LEU A 78 -9.408 -13.527 -26.183 1.00 1.00 H new ATOM 0 HA LEU A 78 -11.325 -15.149 -27.716 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -10.360 -15.346 -24.825 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -11.236 -16.574 -25.717 1.00 1.00 H new ATOM 0 HG LEU A 78 -8.462 -15.515 -26.453 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -7.694 -17.786 -25.720 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -8.476 -16.910 -24.383 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -9.362 -18.188 -25.247 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -8.400 -17.380 -28.095 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -10.077 -17.806 -27.675 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -9.723 -16.245 -28.453 1.00 1.00 H new ATOM 1222 N TYR A 79 -13.442 -14.723 -26.263 1.00 1.00 N ATOM 1223 CA TYR A 79 -14.708 -14.204 -25.728 1.00 1.00 C ATOM 1224 C TYR A 79 -15.546 -15.348 -25.165 1.00 1.00 C ATOM 1225 O TYR A 79 -15.729 -16.372 -25.821 1.00 1.00 O ATOM 1226 CB TYR A 79 -15.477 -13.494 -26.853 1.00 1.00 C ATOM 1227 CG TYR A 79 -15.708 -14.468 -28.005 1.00 1.00 C ATOM 1228 CD1 TYR A 79 -14.747 -14.604 -29.024 1.00 1.00 C ATOM 1229 CD2 TYR A 79 -16.876 -15.248 -28.050 1.00 1.00 C ATOM 1230 CE1 TYR A 79 -14.957 -15.506 -30.075 1.00 1.00 C ATOM 1231 CE2 TYR A 79 -17.082 -16.151 -29.101 1.00 1.00 C ATOM 1232 CZ TYR A 79 -16.123 -16.280 -30.113 1.00 1.00 C ATOM 1233 OH TYR A 79 -16.328 -17.171 -31.152 1.00 1.00 O ATOM 0 H TYR A 79 -13.520 -15.634 -26.715 1.00 1.00 H new ATOM 0 HA TYR A 79 -14.501 -13.496 -24.925 1.00 1.00 H new ATOM 0 HB2 TYR A 79 -16.432 -13.124 -26.478 1.00 1.00 H new ATOM 0 HB3 TYR A 79 -14.915 -12.628 -27.202 1.00 1.00 H new ATOM 0 HD1 TYR A 79 -13.845 -14.011 -28.996 1.00 1.00 H new ATOM 0 HD2 TYR A 79 -17.618 -15.151 -27.271 1.00 1.00 H new ATOM 0 HE1 TYR A 79 -14.219 -15.604 -30.857 1.00 1.00 H new ATOM 0 HE2 TYR A 79 -17.981 -16.748 -29.131 1.00 1.00 H new ATOM 0 HH TYR A 79 -17.185 -17.629 -31.026 1.00 1.00 H new ATOM 1243 N HIS A 80 -16.036 -15.172 -23.942 1.00 1.00 N ATOM 1244 CA HIS A 80 -16.851 -16.191 -23.286 1.00 1.00 C ATOM 1245 C HIS A 80 -17.706 -15.544 -22.195 1.00 1.00 C ATOM 1246 O HIS A 80 -18.784 -15.023 -22.475 1.00 1.00 O ATOM 1247 CB HIS A 80 -15.944 -17.292 -22.700 1.00 1.00 C ATOM 1248 CG HIS A 80 -16.787 -18.325 -22.002 1.00 1.00 C ATOM 1249 ND1 HIS A 80 -17.778 -19.029 -22.666 1.00 1.00 N ATOM 1250 CD2 HIS A 80 -16.825 -18.762 -20.700 1.00 1.00 C ATOM 1251 CE1 HIS A 80 -18.369 -19.840 -21.773 1.00 1.00 C ATOM 1252 NE2 HIS A 80 -17.826 -19.718 -20.558 1.00 1.00 N ATOM 0 H HIS A 80 -15.883 -14.332 -23.384 1.00 1.00 H new ATOM 0 HA HIS A 80 -17.517 -16.652 -24.016 1.00 1.00 H new ATOM 0 HB2 HIS A 80 -15.363 -17.759 -23.495 1.00 1.00 H new ATOM 0 HB3 HIS A 80 -15.232 -16.856 -21.999 1.00 1.00 H new ATOM 0 HD2 HIS A 80 -16.177 -18.416 -19.908 1.00 1.00 H new ATOM 0 HE1 HIS A 80 -19.184 -20.509 -22.008 1.00 1.00 H new ATOM 0 HE2 HIS A 80 -18.089 -20.218 -19.709 1.00 1.00 H new ATOM 1261 N ASN A 81 -17.237 -15.590 -20.947 1.00 1.00 N ATOM 1262 CA ASN A 81 -17.989 -15.015 -19.828 1.00 1.00 C ATOM 1263 C ASN A 81 -18.013 -13.483 -19.895 1.00 1.00 C ATOM 1264 O ASN A 81 -17.972 -12.805 -18.868 1.00 1.00 O ATOM 1265 CB ASN A 81 -17.359 -15.481 -18.508 1.00 1.00 C ATOM 1266 CG ASN A 81 -18.219 -15.053 -17.323 1.00 1.00 C ATOM 1267 OD1 ASN A 81 -19.429 -15.274 -17.324 1.00 1.00 O ATOM 1268 ND2 ASN A 81 -17.664 -14.452 -16.307 1.00 1.00 N ATOM 0 H ASN A 81 -16.348 -16.015 -20.686 1.00 1.00 H new ATOM 0 HA ASN A 81 -19.021 -15.360 -19.888 1.00 1.00 H new ATOM 0 HB2 ASN A 81 -17.251 -16.566 -18.513 1.00 1.00 H new ATOM 0 HB3 ASN A 81 -16.358 -15.061 -18.408 1.00 1.00 H new ATOM 0 HD21 ASN A 81 -18.234 -14.164 -15.511 1.00 1.00 H new ATOM 0 HD22 ASN A 81 -16.660 -14.270 -16.308 1.00 1.00 H new ATOM 1275 N GLY A 82 -18.072 -12.942 -21.114 1.00 1.00 N ATOM 1276 CA GLY A 82 -18.094 -11.491 -21.321 1.00 1.00 C ATOM 1277 C GLY A 82 -16.701 -10.902 -21.155 1.00 1.00 C ATOM 1278 O GLY A 82 -16.361 -9.896 -21.782 1.00 1.00 O ATOM 0 H GLY A 82 -18.105 -13.488 -21.975 1.00 1.00 H new ATOM 0 HA2 GLY A 82 -18.472 -11.267 -22.318 1.00 1.00 H new ATOM 0 HA3 GLY A 82 -18.777 -11.028 -20.609 1.00 1.00 H new ATOM 1282 N PHE A 83 -15.876 -11.547 -20.327 1.00 1.00 N ATOM 1283 CA PHE A 83 -14.502 -11.097 -20.106 1.00 1.00 C ATOM 1284 C PHE A 83 -13.629 -11.539 -21.287 1.00 1.00 C ATOM 1285 O PHE A 83 -13.849 -12.600 -21.873 1.00 1.00 O ATOM 1286 CB PHE A 83 -13.959 -11.694 -18.772 1.00 1.00 C ATOM 1287 CG PHE A 83 -12.425 -11.650 -18.743 1.00 1.00 C ATOM 1288 CD1 PHE A 83 -11.763 -10.429 -18.947 1.00 1.00 C ATOM 1289 CD2 PHE A 83 -11.667 -12.826 -18.563 1.00 1.00 C ATOM 1290 CE1 PHE A 83 -10.367 -10.381 -18.964 1.00 1.00 C ATOM 1291 CE2 PHE A 83 -10.272 -12.774 -18.585 1.00 1.00 C ATOM 1292 CZ PHE A 83 -9.621 -11.555 -18.787 1.00 1.00 C ATOM 0 H PHE A 83 -16.136 -12.381 -19.800 1.00 1.00 H new ATOM 0 HA PHE A 83 -14.478 -10.010 -20.033 1.00 1.00 H new ATOM 0 HB2 PHE A 83 -14.360 -11.134 -17.927 1.00 1.00 H new ATOM 0 HB3 PHE A 83 -14.300 -12.723 -18.663 1.00 1.00 H new ATOM 0 HD1 PHE A 83 -12.335 -9.524 -19.091 1.00 1.00 H new ATOM 0 HD2 PHE A 83 -12.168 -13.770 -18.408 1.00 1.00 H new ATOM 0 HE1 PHE A 83 -9.862 -9.438 -19.114 1.00 1.00 H new ATOM 0 HE2 PHE A 83 -9.696 -13.677 -18.446 1.00 1.00 H new ATOM 0 HZ PHE A 83 -8.542 -11.517 -18.807 1.00 1.00 H new ATOM 1302 N THR A 84 -12.623 -10.713 -21.608 1.00 1.00 N ATOM 1303 CA THR A 84 -11.681 -11.001 -22.701 1.00 1.00 C ATOM 1304 C THR A 84 -10.250 -10.743 -22.237 1.00 1.00 C ATOM 1305 O THR A 84 -9.889 -9.609 -21.923 1.00 1.00 O ATOM 1306 CB THR A 84 -12.000 -10.104 -23.914 1.00 1.00 C ATOM 1307 OG1 THR A 84 -11.692 -8.756 -23.592 1.00 1.00 O ATOM 1308 CG2 THR A 84 -13.488 -10.211 -24.270 1.00 1.00 C ATOM 0 H THR A 84 -12.440 -9.835 -21.123 1.00 1.00 H new ATOM 0 HA THR A 84 -11.781 -12.048 -22.989 1.00 1.00 H new ATOM 0 HB THR A 84 -11.404 -10.429 -24.767 1.00 1.00 H new ATOM 0 HG1 THR A 84 -11.098 -8.733 -22.813 1.00 1.00 H new ATOM 0 HG21 THR A 84 -13.704 -9.574 -25.128 1.00 1.00 H new ATOM 0 HG22 THR A 84 -13.730 -11.245 -24.516 1.00 1.00 H new ATOM 0 HG23 THR A 84 -14.090 -9.890 -23.420 1.00 1.00 H new ATOM 1316 N CYS A 85 -9.428 -11.802 -22.197 1.00 1.00 N ATOM 1317 CA CYS A 85 -8.026 -11.687 -21.771 1.00 1.00 C ATOM 1318 C CYS A 85 -7.161 -11.334 -22.970 1.00 1.00 C ATOM 1319 O CYS A 85 -7.396 -11.840 -24.069 1.00 1.00 O ATOM 1320 CB CYS A 85 -7.560 -13.022 -21.167 1.00 1.00 C ATOM 1321 SG CYS A 85 -5.906 -12.827 -20.458 1.00 1.00 S ATOM 0 H CYS A 85 -9.710 -12.748 -22.455 1.00 1.00 H new ATOM 0 HA CYS A 85 -7.936 -10.903 -21.019 1.00 1.00 H new ATOM 0 HB2 CYS A 85 -8.260 -13.348 -20.398 1.00 1.00 H new ATOM 0 HB3 CYS A 85 -7.548 -13.795 -21.935 1.00 1.00 H new ATOM 0 HG CYS A 85 -5.753 -11.605 -20.043 1.00 1.00 H new ATOM 1327 N GLU A 86 -6.150 -10.481 -22.768 1.00 1.00 N ATOM 1328 CA GLU A 86 -5.237 -10.083 -23.855 1.00 1.00 C ATOM 1329 C GLU A 86 -3.928 -10.850 -23.720 1.00 1.00 C ATOM 1330 O GLU A 86 -3.402 -11.003 -22.615 1.00 1.00 O ATOM 1331 CB GLU A 86 -4.978 -8.568 -23.751 1.00 1.00 C ATOM 1332 CG GLU A 86 -6.237 -7.788 -24.164 1.00 1.00 C ATOM 1333 CD GLU A 86 -6.006 -6.289 -23.981 1.00 1.00 C ATOM 1334 OE1 GLU A 86 -5.403 -5.918 -22.985 1.00 1.00 O ATOM 1335 OE2 GLU A 86 -6.436 -5.535 -24.837 1.00 1.00 O ATOM 0 H GLU A 86 -5.941 -10.052 -21.866 1.00 1.00 H new ATOM 0 HA GLU A 86 -5.680 -10.311 -24.825 1.00 1.00 H new ATOM 0 HB2 GLU A 86 -4.698 -8.308 -22.730 1.00 1.00 H new ATOM 0 HB3 GLU A 86 -4.141 -8.289 -24.392 1.00 1.00 H new ATOM 0 HG2 GLU A 86 -6.483 -8.002 -25.204 1.00 1.00 H new ATOM 0 HG3 GLU A 86 -7.088 -8.109 -23.563 1.00 1.00 H new ATOM 1342 N ALA A 87 -3.407 -11.342 -24.845 1.00 1.00 N ATOM 1343 CA ALA A 87 -2.155 -12.106 -24.854 1.00 1.00 C ATOM 1344 C ALA A 87 -1.359 -11.763 -26.092 1.00 1.00 C ATOM 1345 O ALA A 87 -1.933 -11.417 -27.118 1.00 1.00 O ATOM 1346 CB ALA A 87 -2.478 -13.610 -24.854 1.00 1.00 C ATOM 0 H ALA A 87 -3.833 -11.226 -25.765 1.00 1.00 H new ATOM 0 HA ALA A 87 -1.570 -11.856 -23.969 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -1.550 -14.181 -24.861 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -3.051 -13.859 -23.961 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -3.062 -13.857 -25.740 1.00 1.00 H new ATOM 1352 N ASP A 88 -0.043 -11.872 -26.005 1.00 1.00 N ATOM 1353 CA ASP A 88 0.814 -11.584 -27.149 1.00 1.00 C ATOM 1354 C ASP A 88 2.230 -12.059 -26.844 1.00 1.00 C ATOM 1355 O ASP A 88 2.623 -12.128 -25.677 1.00 1.00 O ATOM 1356 CB ASP A 88 0.795 -10.075 -27.443 1.00 1.00 C ATOM 1357 CG ASP A 88 1.191 -9.277 -26.200 1.00 1.00 C ATOM 1358 OD1 ASP A 88 1.722 -9.863 -25.271 1.00 1.00 O ATOM 1359 OD2 ASP A 88 0.947 -8.081 -26.195 1.00 1.00 O ATOM 0 H ASP A 88 0.455 -12.156 -25.161 1.00 1.00 H new ATOM 0 HA ASP A 88 0.448 -12.109 -28.031 1.00 1.00 H new ATOM 0 HB2 ASP A 88 1.481 -9.850 -28.260 1.00 1.00 H new ATOM 0 HB3 ASP A 88 -0.200 -9.776 -27.771 1.00 1.00 H new ATOM 1364 N THR A 89 2.994 -12.407 -27.887 1.00 1.00 N ATOM 1365 CA THR A 89 4.374 -12.899 -27.705 1.00 1.00 C ATOM 1366 C THR A 89 5.385 -11.772 -27.938 1.00 1.00 C ATOM 1367 O THR A 89 6.546 -11.876 -27.537 1.00 1.00 O ATOM 1368 CB THR A 89 4.638 -14.067 -28.690 1.00 1.00 C ATOM 1369 OG1 THR A 89 3.505 -14.924 -28.692 1.00 1.00 O ATOM 1370 CG2 THR A 89 5.889 -14.868 -28.259 1.00 1.00 C ATOM 0 H THR A 89 2.688 -12.359 -28.859 1.00 1.00 H new ATOM 0 HA THR A 89 4.491 -13.254 -26.681 1.00 1.00 H new ATOM 0 HB THR A 89 4.812 -13.665 -29.688 1.00 1.00 H new ATOM 0 HG1 THR A 89 3.224 -15.093 -29.616 1.00 1.00 H new ATOM 0 HG21 THR A 89 6.059 -15.684 -28.962 1.00 1.00 H new ATOM 0 HG22 THR A 89 6.758 -14.210 -28.251 1.00 1.00 H new ATOM 0 HG23 THR A 89 5.733 -15.276 -27.260 1.00 1.00 H new ATOM 1378 N LEU A 90 4.940 -10.699 -28.608 1.00 1.00 N ATOM 1379 CA LEU A 90 5.810 -9.557 -28.924 1.00 1.00 C ATOM 1380 C LEU A 90 6.998 -10.032 -29.777 1.00 1.00 C ATOM 1381 O LEU A 90 7.941 -9.276 -30.012 1.00 1.00 O ATOM 1382 CB LEU A 90 6.304 -8.832 -27.619 1.00 1.00 C ATOM 1383 CG LEU A 90 5.343 -7.687 -27.199 1.00 1.00 C ATOM 1384 CD1 LEU A 90 3.951 -8.248 -26.886 1.00 1.00 C ATOM 1385 CD2 LEU A 90 5.902 -6.981 -25.952 1.00 1.00 C ATOM 0 H LEU A 90 3.981 -10.598 -28.942 1.00 1.00 H new ATOM 0 HA LEU A 90 5.233 -8.829 -29.495 1.00 1.00 H new ATOM 0 HB2 LEU A 90 6.383 -9.556 -26.808 1.00 1.00 H new ATOM 0 HB3 LEU A 90 7.303 -8.427 -27.784 1.00 1.00 H new ATOM 0 HG LEU A 90 5.261 -6.976 -28.021 1.00 1.00 H new ATOM 0 HD11 LEU A 90 3.288 -7.434 -26.593 1.00 1.00 H new ATOM 0 HD12 LEU A 90 3.550 -8.742 -27.771 1.00 1.00 H new ATOM 0 HD13 LEU A 90 4.024 -8.968 -26.071 1.00 1.00 H new ATOM 0 HD21 LEU A 90 5.228 -6.177 -25.656 1.00 1.00 H new ATOM 0 HD22 LEU A 90 5.990 -7.699 -25.136 1.00 1.00 H new ATOM 0 HD23 LEU A 90 6.884 -6.566 -26.178 1.00 1.00 H new ATOM 1397 N GLY A 91 6.946 -11.288 -30.228 1.00 1.00 N ATOM 1398 CA GLY A 91 8.025 -11.849 -31.041 1.00 1.00 C ATOM 1399 C GLY A 91 9.255 -12.099 -30.178 1.00 1.00 C ATOM 1400 O GLY A 91 10.357 -12.304 -30.688 1.00 1.00 O ATOM 0 H GLY A 91 6.175 -11.930 -30.045 1.00 1.00 H new ATOM 0 HA2 GLY A 91 7.698 -12.782 -31.500 1.00 1.00 H new ATOM 0 HA3 GLY A 91 8.273 -11.164 -31.852 1.00 1.00 H new ATOM 1404 N SER A 92 9.053 -12.085 -28.860 1.00 1.00 N ATOM 1405 CA SER A 92 10.145 -12.316 -27.916 1.00 1.00 C ATOM 1406 C SER A 92 10.665 -13.753 -28.056 1.00 1.00 C ATOM 1407 O SER A 92 10.875 -14.233 -29.170 1.00 1.00 O ATOM 1408 CB SER A 92 9.664 -12.047 -26.476 1.00 1.00 C ATOM 1409 OG SER A 92 9.113 -10.737 -26.396 1.00 1.00 O ATOM 0 H SER A 92 8.146 -11.917 -28.424 1.00 1.00 H new ATOM 0 HA SER A 92 10.962 -11.630 -28.140 1.00 1.00 H new ATOM 0 HB2 SER A 92 8.916 -12.786 -26.187 1.00 1.00 H new ATOM 0 HB3 SER A 92 10.496 -12.146 -25.779 1.00 1.00 H new ATOM 0 HG SER A 92 8.185 -10.753 -26.710 1.00 1.00 H new ATOM 1415 N CYS A 93 10.880 -14.432 -26.926 1.00 1.00 N ATOM 1416 CA CYS A 93 11.386 -15.806 -26.927 1.00 1.00 C ATOM 1417 C CYS A 93 11.309 -16.394 -25.518 1.00 1.00 C ATOM 1418 O CYS A 93 12.102 -16.046 -24.645 1.00 1.00 O ATOM 1419 CB CYS A 93 12.842 -15.815 -27.428 1.00 1.00 C ATOM 1420 SG CYS A 93 13.832 -14.685 -26.420 1.00 1.00 S ATOM 0 H CYS A 93 10.711 -14.050 -25.996 1.00 1.00 H new ATOM 0 HA CYS A 93 10.774 -16.416 -27.592 1.00 1.00 H new ATOM 0 HB2 CYS A 93 13.251 -16.824 -27.371 1.00 1.00 H new ATOM 0 HB3 CYS A 93 12.880 -15.514 -28.475 1.00 1.00 H new ATOM 0 HG CYS A 93 13.428 -14.738 -25.185 1.00 1.00 H new ATOM 1426 N GLY A 94 10.349 -17.293 -25.303 1.00 1.00 N ATOM 1427 CA GLY A 94 10.175 -17.919 -23.995 1.00 1.00 C ATOM 1428 C GLY A 94 9.685 -16.898 -22.970 1.00 1.00 C ATOM 1429 O GLY A 94 10.017 -16.983 -21.787 1.00 1.00 O ATOM 0 H GLY A 94 9.685 -17.602 -26.013 1.00 1.00 H new ATOM 0 HA2 GLY A 94 9.460 -18.738 -24.070 1.00 1.00 H new ATOM 0 HA3 GLY A 94 11.120 -18.350 -23.664 1.00 1.00 H new ATOM 1433 N TYR A 95 8.867 -15.943 -23.430 1.00 1.00 N ATOM 1434 CA TYR A 95 8.296 -14.912 -22.553 1.00 1.00 C ATOM 1435 C TYR A 95 6.948 -14.452 -23.108 1.00 1.00 C ATOM 1436 O TYR A 95 6.795 -14.262 -24.317 1.00 1.00 O ATOM 1437 CB TYR A 95 9.245 -13.709 -22.427 1.00 1.00 C ATOM 1438 CG TYR A 95 10.581 -14.171 -21.854 1.00 1.00 C ATOM 1439 CD1 TYR A 95 10.648 -14.610 -20.520 1.00 1.00 C ATOM 1440 CD2 TYR A 95 11.750 -14.175 -22.644 1.00 1.00 C ATOM 1441 CE1 TYR A 95 11.866 -15.043 -19.985 1.00 1.00 C ATOM 1442 CE2 TYR A 95 12.963 -14.610 -22.102 1.00 1.00 C ATOM 1443 CZ TYR A 95 13.021 -15.045 -20.772 1.00 1.00 C ATOM 1444 OH TYR A 95 14.217 -15.473 -20.235 1.00 1.00 O ATOM 0 H TYR A 95 8.585 -15.863 -24.407 1.00 1.00 H new ATOM 0 HA TYR A 95 8.156 -15.343 -21.562 1.00 1.00 H new ATOM 0 HB2 TYR A 95 9.396 -13.248 -23.403 1.00 1.00 H new ATOM 0 HB3 TYR A 95 8.803 -12.950 -21.781 1.00 1.00 H new ATOM 0 HD1 TYR A 95 9.758 -14.613 -19.908 1.00 1.00 H new ATOM 0 HD2 TYR A 95 11.708 -13.841 -23.670 1.00 1.00 H new ATOM 0 HE1 TYR A 95 11.914 -15.377 -18.959 1.00 1.00 H new ATOM 0 HE2 TYR A 95 13.856 -14.611 -22.709 1.00 1.00 H new ATOM 0 HH TYR A 95 14.921 -15.412 -20.914 1.00 1.00 H new ATOM 1454 N VAL A 96 5.975 -14.295 -22.211 1.00 1.00 N ATOM 1455 CA VAL A 96 4.620 -13.868 -22.570 1.00 1.00 C ATOM 1456 C VAL A 96 4.079 -12.930 -21.483 1.00 1.00 C ATOM 1457 O VAL A 96 4.272 -13.176 -20.290 1.00 1.00 O ATOM 1458 CB VAL A 96 3.708 -15.116 -22.733 1.00 1.00 C ATOM 1459 CG1 VAL A 96 4.063 -15.887 -24.026 1.00 1.00 C ATOM 1460 CG2 VAL A 96 3.883 -16.058 -21.533 1.00 1.00 C ATOM 0 H VAL A 96 6.103 -14.460 -21.213 1.00 1.00 H new ATOM 0 HA VAL A 96 4.636 -13.329 -23.517 1.00 1.00 H new ATOM 0 HB VAL A 96 2.675 -14.773 -22.789 1.00 1.00 H new ATOM 0 HG11 VAL A 96 3.413 -16.757 -24.121 1.00 1.00 H new ATOM 0 HG12 VAL A 96 3.925 -15.235 -24.888 1.00 1.00 H new ATOM 0 HG13 VAL A 96 5.102 -16.214 -23.981 1.00 1.00 H new ATOM 0 HG21 VAL A 96 3.240 -16.929 -21.657 1.00 1.00 H new ATOM 0 HG22 VAL A 96 4.922 -16.380 -21.472 1.00 1.00 H new ATOM 0 HG23 VAL A 96 3.611 -15.534 -20.617 1.00 1.00 H new ATOM 1470 N TYR A 97 3.401 -11.852 -21.912 1.00 1.00 N ATOM 1471 CA TYR A 97 2.814 -10.853 -20.998 1.00 1.00 C ATOM 1472 C TYR A 97 1.303 -10.875 -21.180 1.00 1.00 C ATOM 1473 O TYR A 97 0.804 -10.635 -22.286 1.00 1.00 O ATOM 1474 CB TYR A 97 3.368 -9.451 -21.333 1.00 1.00 C ATOM 1475 CG TYR A 97 4.884 -9.530 -21.431 1.00 1.00 C ATOM 1476 CD1 TYR A 97 5.476 -10.008 -22.613 1.00 1.00 C ATOM 1477 CD2 TYR A 97 5.702 -9.141 -20.355 1.00 1.00 C ATOM 1478 CE1 TYR A 97 6.866 -10.090 -22.719 1.00 1.00 C ATOM 1479 CE2 TYR A 97 7.092 -9.225 -20.467 1.00 1.00 C ATOM 1480 CZ TYR A 97 7.674 -9.699 -21.647 1.00 1.00 C ATOM 1481 OH TYR A 97 9.048 -9.779 -21.754 1.00 1.00 O ATOM 0 H TYR A 97 3.244 -11.647 -22.899 1.00 1.00 H new ATOM 0 HA TYR A 97 3.069 -11.087 -19.965 1.00 1.00 H new ATOM 0 HB2 TYR A 97 2.948 -9.095 -22.273 1.00 1.00 H new ATOM 0 HB3 TYR A 97 3.077 -8.737 -20.563 1.00 1.00 H new ATOM 0 HD1 TYR A 97 4.854 -10.313 -23.442 1.00 1.00 H new ATOM 0 HD2 TYR A 97 5.255 -8.777 -19.442 1.00 1.00 H new ATOM 0 HE1 TYR A 97 7.317 -10.456 -23.630 1.00 1.00 H new ATOM 0 HE2 TYR A 97 7.718 -8.923 -19.641 1.00 1.00 H new ATOM 0 HH TYR A 97 9.460 -9.468 -20.921 1.00 1.00 H new ATOM 1491 N ILE A 98 0.579 -11.168 -20.101 1.00 1.00 N ATOM 1492 CA ILE A 98 -0.885 -11.234 -20.130 1.00 1.00 C ATOM 1493 C ILE A 98 -1.424 -10.363 -19.008 1.00 1.00 C ATOM 1494 O ILE A 98 -0.733 -10.089 -18.027 1.00 1.00 O ATOM 1495 CB ILE A 98 -1.363 -12.711 -19.967 1.00 1.00 C ATOM 1496 CG1 ILE A 98 -0.575 -13.416 -18.803 1.00 1.00 C ATOM 1497 CG2 ILE A 98 -1.198 -13.485 -21.298 1.00 1.00 C ATOM 1498 CD1 ILE A 98 0.744 -14.072 -19.274 1.00 1.00 C ATOM 0 H ILE A 98 0.985 -11.366 -19.187 1.00 1.00 H new ATOM 0 HA ILE A 98 -1.260 -10.870 -21.087 1.00 1.00 H new ATOM 0 HB ILE A 98 -2.422 -12.709 -19.708 1.00 1.00 H new ATOM 0 HG12 ILE A 98 -0.353 -12.684 -18.027 1.00 1.00 H new ATOM 0 HG13 ILE A 98 -1.211 -14.177 -18.350 1.00 1.00 H new ATOM 0 HG21 ILE A 98 -1.536 -14.513 -21.166 1.00 1.00 H new ATOM 0 HG22 ILE A 98 -1.793 -13.004 -22.075 1.00 1.00 H new ATOM 0 HG23 ILE A 98 -0.148 -13.483 -21.592 1.00 1.00 H new ATOM 0 HD11 ILE A 98 1.241 -14.541 -18.425 1.00 1.00 H new ATOM 0 HD12 ILE A 98 0.525 -14.827 -20.029 1.00 1.00 H new ATOM 0 HD13 ILE A 98 1.397 -13.311 -19.701 1.00 1.00 H new ATOM 1510 N ALA A 99 -2.661 -9.932 -19.176 1.00 1.00 N ATOM 1511 CA ALA A 99 -3.324 -9.072 -18.199 1.00 1.00 C ATOM 1512 C ALA A 99 -4.828 -9.293 -18.272 1.00 1.00 C ATOM 1513 O ALA A 99 -5.367 -9.655 -19.318 1.00 1.00 O ATOM 1514 CB ALA A 99 -2.985 -7.602 -18.456 1.00 1.00 C ATOM 0 H ALA A 99 -3.236 -10.164 -19.986 1.00 1.00 H new ATOM 0 HA ALA A 99 -2.971 -9.328 -17.200 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -3.489 -6.978 -17.718 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -1.907 -7.458 -18.378 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -3.317 -7.321 -19.455 1.00 1.00 H new ATOM 1520 N VAL A 100 -5.486 -9.090 -17.130 1.00 1.00 N ATOM 1521 CA VAL A 100 -6.940 -9.269 -16.982 1.00 1.00 C ATOM 1522 C VAL A 100 -7.564 -7.976 -16.474 1.00 1.00 C ATOM 1523 O VAL A 100 -7.049 -7.332 -15.562 1.00 1.00 O ATOM 1524 CB VAL A 100 -7.238 -10.427 -15.979 1.00 1.00 C ATOM 1525 CG1 VAL A 100 -6.437 -10.224 -14.683 1.00 1.00 C ATOM 1526 CG2 VAL A 100 -8.766 -10.505 -15.633 1.00 1.00 C ATOM 0 H VAL A 100 -5.024 -8.794 -16.270 1.00 1.00 H new ATOM 0 HA VAL A 100 -7.368 -9.522 -17.952 1.00 1.00 H new ATOM 0 HB VAL A 100 -6.941 -11.361 -16.456 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -6.653 -11.038 -13.991 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -5.371 -10.215 -14.912 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -6.718 -9.275 -14.226 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -8.939 -11.322 -14.932 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -9.085 -9.566 -15.181 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -9.337 -10.682 -16.545 1.00 1.00 H new ATOM 1536 N TYR A 101 -8.685 -7.610 -17.089 1.00 1.00 N ATOM 1537 CA TYR A 101 -9.425 -6.399 -16.736 1.00 1.00 C ATOM 1538 C TYR A 101 -10.925 -6.634 -16.999 1.00 1.00 C ATOM 1539 O TYR A 101 -11.374 -6.503 -18.138 1.00 1.00 O ATOM 1540 CB TYR A 101 -8.908 -5.208 -17.563 1.00 1.00 C ATOM 1541 CG TYR A 101 -8.899 -5.550 -19.046 1.00 1.00 C ATOM 1542 CD1 TYR A 101 -7.880 -6.367 -19.560 1.00 1.00 C ATOM 1543 CD2 TYR A 101 -9.889 -5.046 -19.910 1.00 1.00 C ATOM 1544 CE1 TYR A 101 -7.854 -6.677 -20.918 1.00 1.00 C ATOM 1545 CE2 TYR A 101 -9.859 -5.362 -21.267 1.00 1.00 C ATOM 1546 CZ TYR A 101 -8.843 -6.175 -21.773 1.00 1.00 C ATOM 1547 OH TYR A 101 -8.819 -6.482 -23.116 1.00 1.00 O ATOM 0 H TYR A 101 -9.108 -8.145 -17.848 1.00 1.00 H new ATOM 0 HA TYR A 101 -9.279 -6.169 -15.681 1.00 1.00 H new ATOM 0 HB2 TYR A 101 -9.539 -4.336 -17.389 1.00 1.00 H new ATOM 0 HB3 TYR A 101 -7.902 -4.943 -17.239 1.00 1.00 H new ATOM 0 HD1 TYR A 101 -7.116 -6.755 -18.903 1.00 1.00 H new ATOM 0 HD2 TYR A 101 -10.673 -4.413 -19.521 1.00 1.00 H new ATOM 0 HE1 TYR A 101 -7.069 -7.306 -21.312 1.00 1.00 H new ATOM 0 HE2 TYR A 101 -10.622 -4.978 -21.928 1.00 1.00 H new ATOM 0 HH TYR A 101 -9.578 -6.053 -23.563 1.00 1.00 H new ATOM 1557 N PRO A 102 -11.725 -6.988 -15.992 1.00 1.00 N ATOM 1558 CA PRO A 102 -13.199 -7.228 -16.192 1.00 1.00 C ATOM 1559 C PRO A 102 -13.881 -6.057 -16.911 1.00 1.00 C ATOM 1560 O PRO A 102 -13.524 -4.899 -16.698 1.00 1.00 O ATOM 1561 CB PRO A 102 -13.749 -7.397 -14.743 1.00 1.00 C ATOM 1562 CG PRO A 102 -12.577 -7.884 -13.946 1.00 1.00 C ATOM 1563 CD PRO A 102 -11.337 -7.213 -14.577 1.00 1.00 C ATOM 0 HA PRO A 102 -13.392 -8.095 -16.824 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -14.130 -6.454 -14.351 1.00 1.00 H new ATOM 0 HB3 PRO A 102 -14.573 -8.110 -14.713 1.00 1.00 H new ATOM 0 HG2 PRO A 102 -12.678 -7.612 -12.895 1.00 1.00 H new ATOM 0 HG3 PRO A 102 -12.499 -8.970 -13.988 1.00 1.00 H new ATOM 0 HD2 PRO A 102 -11.094 -6.276 -14.077 1.00 1.00 H new ATOM 0 HD3 PRO A 102 -10.457 -7.852 -14.502 1.00 1.00 H new ATOM 1571 N THR A 103 -14.869 -6.372 -17.750 1.00 1.00 N ATOM 1572 CA THR A 103 -15.603 -5.345 -18.483 1.00 1.00 C ATOM 1573 C THR A 103 -16.347 -4.438 -17.506 1.00 1.00 C ATOM 1574 O THR A 103 -16.994 -4.918 -16.577 1.00 1.00 O ATOM 1575 CB THR A 103 -16.614 -6.012 -19.429 1.00 1.00 C ATOM 1576 OG1 THR A 103 -17.542 -6.768 -18.665 1.00 1.00 O ATOM 1577 CG2 THR A 103 -15.877 -6.942 -20.403 1.00 1.00 C ATOM 0 H THR A 103 -15.177 -7.326 -17.937 1.00 1.00 H new ATOM 0 HA THR A 103 -14.898 -4.748 -19.061 1.00 1.00 H new ATOM 0 HB THR A 103 -17.142 -5.244 -19.995 1.00 1.00 H new ATOM 0 HG1 THR A 103 -17.540 -6.449 -17.739 1.00 1.00 H new ATOM 0 HG21 THR A 103 -16.597 -7.413 -21.072 1.00 1.00 H new ATOM 0 HG22 THR A 103 -15.163 -6.363 -20.988 1.00 1.00 H new ATOM 0 HG23 THR A 103 -15.347 -7.711 -19.841 1.00 1.00 H new ATOM 1585 N GLN A 104 -16.253 -3.121 -17.718 1.00 1.00 N ATOM 1586 CA GLN A 104 -16.925 -2.160 -16.844 1.00 1.00 C ATOM 1587 C GLN A 104 -18.441 -2.250 -17.022 1.00 1.00 C ATOM 1588 O GLN A 104 -19.195 -2.176 -16.050 1.00 1.00 O ATOM 1589 CB GLN A 104 -16.439 -0.734 -17.170 1.00 1.00 C ATOM 1590 CG GLN A 104 -17.013 0.277 -16.159 1.00 1.00 C ATOM 1591 CD GLN A 104 -16.481 1.678 -16.457 1.00 1.00 C ATOM 1592 OE1 GLN A 104 -17.253 2.585 -16.767 1.00 1.00 O ATOM 1593 NE2 GLN A 104 -15.198 1.908 -16.380 1.00 1.00 N ATOM 0 H GLN A 104 -15.722 -2.701 -18.481 1.00 1.00 H new ATOM 0 HA GLN A 104 -16.682 -2.394 -15.808 1.00 1.00 H new ATOM 0 HB2 GLN A 104 -15.350 -0.701 -17.148 1.00 1.00 H new ATOM 0 HB3 GLN A 104 -16.745 -0.461 -18.180 1.00 1.00 H new ATOM 0 HG2 GLN A 104 -18.102 0.275 -16.209 1.00 1.00 H new ATOM 0 HG3 GLN A 104 -16.740 -0.016 -15.145 1.00 1.00 H new ATOM 0 HE21 GLN A 104 -14.559 1.155 -16.123 1.00 1.00 H new ATOM 0 HE22 GLN A 104 -14.834 2.840 -16.577 1.00 1.00 H new