USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=22 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 Single : A 22 GLN : amide:sc= -0.0172 K(o=-0.017,f=-0.59) USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 28 HIS : no HD1:sc= -1.99 K(o=-2,f=-6.4!) USER MOD Single : A 29 TYR OH : rot 30:sc= -0.0499 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0203 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 180:sc=-0.00117 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-2.5) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.46) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -159:sc= -0.114 (180deg=-0.742) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -56:sc= 0.876 USER MOD Single : A 69 ASN : amide:sc= -0.323 X(o=-0.32,f=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.354 X(o=-0.35,f=-0.011) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 75 CYS SG : rot -96:sc= -1.33 USER MOD Single : A 77 THR OG1 : rot 36:sc= 0.782 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.563 X(o=-0.56,f=-0.88) USER MOD Single : A 81 ASN : amide:sc= -3.4 K(o=-3.4,f=-6.2!) USER MOD Single : A 84 THR OG1 : rot 35:sc= 1.15 USER MOD Single : A 85 CYS SG : rot 180:sc= -0.364 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 149:sc= 1.07 USER MOD Single : A 93 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= -0.0129 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 223 N ARG A 15 -3.653 -1.230 -12.932 1.00 1.00 N ATOM 224 CA ARG A 15 -3.939 -2.521 -13.579 1.00 1.00 C ATOM 225 C ARG A 15 -3.383 -3.637 -12.694 1.00 1.00 C ATOM 226 O ARG A 15 -2.577 -3.367 -11.801 1.00 1.00 O ATOM 227 CB ARG A 15 -3.294 -2.560 -14.996 1.00 1.00 C ATOM 228 CG ARG A 15 -3.852 -3.728 -15.844 1.00 1.00 C ATOM 229 CD ARG A 15 -3.198 -3.744 -17.238 1.00 1.00 C ATOM 230 NE ARG A 15 -1.786 -4.105 -17.120 1.00 1.00 N ATOM 231 CZ ARG A 15 -0.986 -4.195 -18.185 1.00 1.00 C ATOM 232 NH1 ARG A 15 -1.441 -3.933 -19.384 1.00 1.00 N ATOM 233 NH2 ARG A 15 0.260 -4.550 -18.028 1.00 1.00 N ATOM 0 HA ARG A 15 -5.014 -2.656 -13.699 1.00 1.00 H new ATOM 0 HB2 ARG A 15 -3.481 -1.616 -15.508 1.00 1.00 H new ATOM 0 HB3 ARG A 15 -2.213 -2.662 -14.902 1.00 1.00 H new ATOM 0 HG2 ARG A 15 -3.665 -4.675 -15.337 1.00 1.00 H new ATOM 0 HG3 ARG A 15 -4.933 -3.628 -15.944 1.00 1.00 H new ATOM 0 HD2 ARG A 15 -3.712 -4.457 -17.883 1.00 1.00 H new ATOM 0 HD3 ARG A 15 -3.294 -2.764 -17.706 1.00 1.00 H new ATOM 0 HE ARG A 15 -1.400 -4.294 -16.195 1.00 1.00 H new ATOM 0 HH11 ARG A 15 -2.415 -3.657 -19.511 1.00 1.00 H new ATOM 0 HH12 ARG A 15 -0.822 -4.005 -20.191 1.00 1.00 H new ATOM 0 HH21 ARG A 15 0.618 -4.757 -17.095 1.00 1.00 H new ATOM 0 HH22 ARG A 15 0.876 -4.621 -18.838 1.00 1.00 H new ATOM 247 N LEU A 16 -3.772 -4.883 -12.969 1.00 1.00 N ATOM 248 CA LEU A 16 -3.272 -6.054 -12.231 1.00 1.00 C ATOM 249 C LEU A 16 -2.356 -6.845 -13.166 1.00 1.00 C ATOM 250 O LEU A 16 -2.784 -7.361 -14.199 1.00 1.00 O ATOM 251 CB LEU A 16 -4.461 -6.900 -11.736 1.00 1.00 C ATOM 252 CG LEU A 16 -3.993 -8.155 -10.898 1.00 1.00 C ATOM 253 CD1 LEU A 16 -4.939 -8.384 -9.701 1.00 1.00 C ATOM 254 CD2 LEU A 16 -4.004 -9.430 -11.774 1.00 1.00 C ATOM 0 H LEU A 16 -4.439 -5.113 -13.705 1.00 1.00 H new ATOM 0 HA LEU A 16 -2.703 -5.753 -11.351 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -5.116 -6.280 -11.124 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -5.048 -7.235 -12.592 1.00 1.00 H new ATOM 0 HG LEU A 16 -2.981 -7.958 -10.544 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -4.604 -9.252 -9.133 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -4.931 -7.504 -9.058 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -5.951 -8.558 -10.065 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -3.679 -10.283 -11.179 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -5.014 -9.609 -12.143 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -3.327 -9.297 -12.618 1.00 1.00 H new ATOM 266 N GLY A 17 -1.075 -6.917 -12.781 1.00 1.00 N ATOM 267 CA GLY A 17 -0.054 -7.625 -13.557 1.00 1.00 C ATOM 268 C GLY A 17 0.052 -9.063 -13.095 1.00 1.00 C ATOM 269 O GLY A 17 -0.402 -9.406 -12.003 1.00 1.00 O ATOM 0 H GLY A 17 -0.721 -6.487 -11.926 1.00 1.00 H new ATOM 0 HA2 GLY A 17 -0.306 -7.594 -14.617 1.00 1.00 H new ATOM 0 HA3 GLY A 17 0.909 -7.127 -13.444 1.00 1.00 H new ATOM 273 N ALA A 18 0.650 -9.904 -13.930 1.00 1.00 N ATOM 274 CA ALA A 18 0.807 -11.319 -13.602 1.00 1.00 C ATOM 275 C ALA A 18 1.748 -11.992 -14.590 1.00 1.00 C ATOM 276 O ALA A 18 1.319 -12.766 -15.449 1.00 1.00 O ATOM 277 CB ALA A 18 -0.564 -12.007 -13.634 1.00 1.00 C ATOM 0 H ALA A 18 1.033 -9.634 -14.836 1.00 1.00 H new ATOM 0 HA ALA A 18 1.234 -11.406 -12.603 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -0.447 -13.063 -13.389 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -1.224 -11.537 -12.905 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -0.996 -11.911 -14.630 1.00 1.00 H new ATOM 283 N ARG A 19 3.045 -11.691 -14.473 1.00 1.00 N ATOM 284 CA ARG A 19 4.044 -12.275 -15.373 1.00 1.00 C ATOM 285 C ARG A 19 4.453 -13.657 -14.858 1.00 1.00 C ATOM 286 O ARG A 19 4.856 -13.808 -13.705 1.00 1.00 O ATOM 287 CB ARG A 19 5.273 -11.358 -15.453 1.00 1.00 C ATOM 288 CG ARG A 19 4.866 -9.980 -16.002 1.00 1.00 C ATOM 289 CD ARG A 19 6.083 -9.041 -16.008 1.00 1.00 C ATOM 290 NE ARG A 19 7.118 -9.557 -16.907 1.00 1.00 N ATOM 291 CZ ARG A 19 8.318 -8.976 -17.004 1.00 1.00 C ATOM 292 NH1 ARG A 19 8.594 -7.902 -16.311 1.00 1.00 N ATOM 293 NH2 ARG A 19 9.221 -9.482 -17.800 1.00 1.00 N ATOM 0 H ARG A 19 3.425 -11.054 -13.773 1.00 1.00 H new ATOM 0 HA ARG A 19 3.615 -12.378 -16.370 1.00 1.00 H new ATOM 0 HB2 ARG A 19 5.720 -11.248 -14.465 1.00 1.00 H new ATOM 0 HB3 ARG A 19 6.030 -11.806 -16.097 1.00 1.00 H new ATOM 0 HG2 ARG A 19 4.470 -10.083 -17.012 1.00 1.00 H new ATOM 0 HG3 ARG A 19 4.070 -9.555 -15.390 1.00 1.00 H new ATOM 0 HD2 ARG A 19 5.780 -8.043 -16.326 1.00 1.00 H new ATOM 0 HD3 ARG A 19 6.483 -8.946 -14.998 1.00 1.00 H new ATOM 0 HE ARG A 19 6.918 -10.381 -17.474 1.00 1.00 H new ATOM 0 HH11 ARG A 19 7.891 -7.501 -15.690 1.00 1.00 H new ATOM 0 HH12 ARG A 19 9.512 -7.465 -16.391 1.00 1.00 H new ATOM 0 HH21 ARG A 19 9.010 -10.318 -18.345 1.00 1.00 H new ATOM 0 HH22 ARG A 19 10.138 -9.041 -17.877 1.00 1.00 H new ATOM 307 N LEU A 20 4.339 -14.664 -15.733 1.00 1.00 N ATOM 308 CA LEU A 20 4.684 -16.059 -15.408 1.00 1.00 C ATOM 309 C LEU A 20 6.012 -16.424 -16.075 1.00 1.00 C ATOM 310 O LEU A 20 6.375 -15.859 -17.107 1.00 1.00 O ATOM 311 CB LEU A 20 3.559 -17.010 -15.907 1.00 1.00 C ATOM 312 CG LEU A 20 3.126 -16.649 -17.382 1.00 1.00 C ATOM 313 CD1 LEU A 20 2.791 -17.928 -18.174 1.00 1.00 C ATOM 314 CD2 LEU A 20 1.882 -15.730 -17.383 1.00 1.00 C ATOM 0 H LEU A 20 4.005 -14.537 -16.688 1.00 1.00 H new ATOM 0 HA LEU A 20 4.783 -16.166 -14.328 1.00 1.00 H new ATOM 0 HB2 LEU A 20 3.907 -18.042 -15.869 1.00 1.00 H new ATOM 0 HB3 LEU A 20 2.697 -16.939 -15.243 1.00 1.00 H new ATOM 0 HG LEU A 20 3.962 -16.130 -17.851 1.00 1.00 H new ATOM 0 HD11 LEU A 20 2.495 -17.661 -19.188 1.00 1.00 H new ATOM 0 HD12 LEU A 20 3.668 -18.574 -18.211 1.00 1.00 H new ATOM 0 HD13 LEU A 20 1.973 -18.456 -17.684 1.00 1.00 H new ATOM 0 HD21 LEU A 20 1.604 -15.496 -18.410 1.00 1.00 H new ATOM 0 HD22 LEU A 20 1.054 -16.238 -16.890 1.00 1.00 H new ATOM 0 HD23 LEU A 20 2.111 -14.807 -16.850 1.00 1.00 H new ATOM 326 N VAL A 21 6.718 -17.394 -15.481 1.00 1.00 N ATOM 327 CA VAL A 21 8.007 -17.882 -16.008 1.00 1.00 C ATOM 328 C VAL A 21 7.788 -19.248 -16.660 1.00 1.00 C ATOM 329 O VAL A 21 7.025 -20.069 -16.151 1.00 1.00 O ATOM 330 CB VAL A 21 9.041 -17.987 -14.864 1.00 1.00 C ATOM 331 CG1 VAL A 21 9.313 -16.584 -14.294 1.00 1.00 C ATOM 332 CG2 VAL A 21 8.507 -18.902 -13.743 1.00 1.00 C ATOM 0 H VAL A 21 6.418 -17.863 -14.626 1.00 1.00 H new ATOM 0 HA VAL A 21 8.392 -17.184 -16.751 1.00 1.00 H new ATOM 0 HB VAL A 21 9.964 -18.413 -15.257 1.00 1.00 H new ATOM 0 HG11 VAL A 21 10.042 -16.654 -13.487 1.00 1.00 H new ATOM 0 HG12 VAL A 21 9.705 -15.941 -15.082 1.00 1.00 H new ATOM 0 HG13 VAL A 21 8.385 -16.161 -13.909 1.00 1.00 H new ATOM 0 HG21 VAL A 21 9.245 -18.967 -12.944 1.00 1.00 H new ATOM 0 HG22 VAL A 21 7.579 -18.489 -13.347 1.00 1.00 H new ATOM 0 HG23 VAL A 21 8.319 -19.898 -14.145 1.00 1.00 H new ATOM 342 N GLN A 22 8.460 -19.490 -17.790 1.00 1.00 N ATOM 343 CA GLN A 22 8.336 -20.766 -18.507 1.00 1.00 C ATOM 344 C GLN A 22 9.236 -21.815 -17.852 1.00 1.00 C ATOM 345 O GLN A 22 10.460 -21.746 -17.965 1.00 1.00 O ATOM 346 CB GLN A 22 8.738 -20.562 -19.982 1.00 1.00 C ATOM 347 CG GLN A 22 8.504 -21.852 -20.795 1.00 1.00 C ATOM 348 CD GLN A 22 8.838 -21.613 -22.267 1.00 1.00 C ATOM 349 OE1 GLN A 22 9.985 -21.319 -22.604 1.00 1.00 O ATOM 350 NE2 GLN A 22 7.899 -21.722 -23.167 1.00 1.00 N ATOM 0 H GLN A 22 9.094 -18.822 -18.228 1.00 1.00 H new ATOM 0 HA GLN A 22 7.304 -21.114 -18.463 1.00 1.00 H new ATOM 0 HB2 GLN A 22 8.159 -19.745 -20.412 1.00 1.00 H new ATOM 0 HB3 GLN A 22 9.788 -20.274 -20.041 1.00 1.00 H new ATOM 0 HG2 GLN A 22 9.123 -22.657 -20.400 1.00 1.00 H new ATOM 0 HG3 GLN A 22 7.466 -22.170 -20.697 1.00 1.00 H new ATOM 0 HE21 GLN A 22 6.949 -21.966 -22.886 1.00 1.00 H new ATOM 0 HE22 GLN A 22 8.115 -21.564 -24.151 1.00 1.00 H new ATOM 359 N GLU A 23 8.627 -22.781 -17.164 1.00 1.00 N ATOM 360 CA GLU A 23 9.390 -23.834 -16.495 1.00 1.00 C ATOM 361 C GLU A 23 10.116 -24.686 -17.538 1.00 1.00 C ATOM 362 O GLU A 23 11.324 -24.906 -17.455 1.00 1.00 O ATOM 363 CB GLU A 23 8.421 -24.712 -15.670 1.00 1.00 C ATOM 364 CG GLU A 23 9.191 -25.737 -14.797 1.00 1.00 C ATOM 365 CD GLU A 23 9.990 -25.036 -13.695 1.00 1.00 C ATOM 366 OE1 GLU A 23 9.638 -23.921 -13.347 1.00 1.00 O ATOM 367 OE2 GLU A 23 10.944 -25.629 -13.217 1.00 1.00 O ATOM 0 H GLU A 23 7.616 -22.856 -17.056 1.00 1.00 H new ATOM 0 HA GLU A 23 10.130 -23.389 -15.830 1.00 1.00 H new ATOM 0 HB2 GLU A 23 7.806 -24.077 -15.032 1.00 1.00 H new ATOM 0 HB3 GLU A 23 7.744 -25.240 -16.342 1.00 1.00 H new ATOM 0 HG2 GLU A 23 8.487 -26.439 -14.349 1.00 1.00 H new ATOM 0 HG3 GLU A 23 9.866 -26.319 -15.425 1.00 1.00 H new ATOM 374 N GLY A 24 9.347 -25.160 -18.520 1.00 1.00 N ATOM 375 CA GLY A 24 9.876 -25.994 -19.598 1.00 1.00 C ATOM 376 C GLY A 24 8.728 -26.600 -20.403 1.00 1.00 C ATOM 377 O GLY A 24 8.409 -26.137 -21.498 1.00 1.00 O ATOM 0 H GLY A 24 8.346 -24.977 -18.590 1.00 1.00 H new ATOM 0 HA2 GLY A 24 10.513 -25.397 -20.251 1.00 1.00 H new ATOM 0 HA3 GLY A 24 10.498 -26.787 -19.183 1.00 1.00 H new ATOM 381 N ASN A 25 8.108 -27.646 -19.840 1.00 1.00 N ATOM 382 CA ASN A 25 6.975 -28.346 -20.479 1.00 1.00 C ATOM 383 C ASN A 25 5.651 -27.879 -19.871 1.00 1.00 C ATOM 384 O ASN A 25 4.594 -28.441 -20.160 1.00 1.00 O ATOM 385 CB ASN A 25 7.125 -29.859 -20.260 1.00 1.00 C ATOM 386 CG ASN A 25 8.399 -30.365 -20.929 1.00 1.00 C ATOM 387 OD1 ASN A 25 8.803 -29.848 -21.970 1.00 1.00 O ATOM 388 ND2 ASN A 25 9.057 -31.353 -20.389 1.00 1.00 N ATOM 0 H ASN A 25 8.373 -28.032 -18.934 1.00 1.00 H new ATOM 0 HA ASN A 25 6.976 -28.120 -21.545 1.00 1.00 H new ATOM 0 HB2 ASN A 25 7.155 -30.078 -19.193 1.00 1.00 H new ATOM 0 HB3 ASN A 25 6.259 -30.380 -20.669 1.00 1.00 H new ATOM 0 HD21 ASN A 25 9.909 -31.699 -20.830 1.00 1.00 H new ATOM 0 HD22 ASN A 25 8.719 -31.779 -19.526 1.00 1.00 H new ATOM 395 N GLN A 26 5.715 -26.846 -19.031 1.00 1.00 N ATOM 396 CA GLN A 26 4.517 -26.295 -18.381 1.00 1.00 C ATOM 397 C GLN A 26 4.759 -24.843 -17.986 1.00 1.00 C ATOM 398 O GLN A 26 5.903 -24.426 -17.802 1.00 1.00 O ATOM 399 CB GLN A 26 4.160 -27.133 -17.136 1.00 1.00 C ATOM 400 CG GLN A 26 5.338 -27.165 -16.146 1.00 1.00 C ATOM 401 CD GLN A 26 4.990 -28.041 -14.945 1.00 1.00 C ATOM 402 OE1 GLN A 26 4.613 -29.201 -15.110 1.00 1.00 O ATOM 403 NE2 GLN A 26 5.092 -27.550 -13.738 1.00 1.00 N ATOM 0 H GLN A 26 6.583 -26.371 -18.782 1.00 1.00 H new ATOM 0 HA GLN A 26 3.683 -26.334 -19.082 1.00 1.00 H new ATOM 0 HB2 GLN A 26 3.280 -26.713 -16.649 1.00 1.00 H new ATOM 0 HB3 GLN A 26 3.903 -28.149 -17.437 1.00 1.00 H new ATOM 0 HG2 GLN A 26 6.229 -27.551 -16.641 1.00 1.00 H new ATOM 0 HG3 GLN A 26 5.571 -26.154 -15.813 1.00 1.00 H new ATOM 0 HE21 GLN A 26 5.405 -26.588 -13.603 1.00 1.00 H new ATOM 0 HE22 GLN A 26 4.859 -28.128 -12.931 1.00 1.00 H new ATOM 412 N LEU A 27 3.671 -24.075 -17.849 1.00 1.00 N ATOM 413 CA LEU A 27 3.755 -22.658 -17.462 1.00 1.00 C ATOM 414 C LEU A 27 3.483 -22.532 -15.957 1.00 1.00 C ATOM 415 O LEU A 27 2.426 -22.940 -15.475 1.00 1.00 O ATOM 416 CB LEU A 27 2.721 -21.823 -18.260 1.00 1.00 C ATOM 417 CG LEU A 27 2.932 -21.981 -19.820 1.00 1.00 C ATOM 418 CD1 LEU A 27 2.027 -23.098 -20.386 1.00 1.00 C ATOM 419 CD2 LEU A 27 2.588 -20.660 -20.551 1.00 1.00 C ATOM 0 H LEU A 27 2.720 -24.410 -18.000 1.00 1.00 H new ATOM 0 HA LEU A 27 4.752 -22.279 -17.687 1.00 1.00 H new ATOM 0 HB2 LEU A 27 1.712 -22.139 -17.994 1.00 1.00 H new ATOM 0 HB3 LEU A 27 2.809 -20.772 -17.984 1.00 1.00 H new ATOM 0 HG LEU A 27 3.979 -22.237 -19.984 1.00 1.00 H new ATOM 0 HD11 LEU A 27 2.189 -23.188 -21.460 1.00 1.00 H new ATOM 0 HD12 LEU A 27 2.270 -24.044 -19.901 1.00 1.00 H new ATOM 0 HD13 LEU A 27 0.982 -22.851 -20.196 1.00 1.00 H new ATOM 0 HD21 LEU A 27 2.739 -20.787 -21.623 1.00 1.00 H new ATOM 0 HD22 LEU A 27 1.547 -20.399 -20.360 1.00 1.00 H new ATOM 0 HD23 LEU A 27 3.235 -19.863 -20.186 1.00 1.00 H new ATOM 431 N HIS A 28 4.449 -21.970 -15.213 1.00 1.00 N ATOM 432 CA HIS A 28 4.320 -21.797 -13.757 1.00 1.00 C ATOM 433 C HIS A 28 3.705 -20.439 -13.430 1.00 1.00 C ATOM 434 O HIS A 28 4.288 -19.408 -13.768 1.00 1.00 O ATOM 435 CB HIS A 28 5.724 -21.874 -13.103 1.00 1.00 C ATOM 436 CG HIS A 28 5.596 -21.876 -11.592 1.00 1.00 C ATOM 437 ND1 HIS A 28 4.364 -21.795 -10.957 1.00 1.00 N ATOM 438 CD2 HIS A 28 6.528 -21.964 -10.586 1.00 1.00 C ATOM 439 CE1 HIS A 28 4.586 -21.837 -9.631 1.00 1.00 C ATOM 440 NE2 HIS A 28 5.887 -21.939 -9.349 1.00 1.00 N ATOM 0 H HIS A 28 5.330 -21.627 -15.597 1.00 1.00 H new ATOM 0 HA HIS A 28 3.675 -22.587 -13.371 1.00 1.00 H new ATOM 0 HB2 HIS A 28 6.238 -22.776 -13.433 1.00 1.00 H new ATOM 0 HB3 HIS A 28 6.330 -21.026 -13.423 1.00 1.00 H new ATOM 0 HD2 HIS A 28 7.595 -22.041 -10.732 1.00 1.00 H new ATOM 0 HE1 HIS A 28 3.806 -21.793 -8.885 1.00 1.00 H new ATOM 0 HE2 HIS A 28 6.319 -21.988 -8.426 1.00 1.00 H new ATOM 449 N TYR A 29 2.546 -20.431 -12.755 1.00 1.00 N ATOM 450 CA TYR A 29 1.882 -19.170 -12.367 1.00 1.00 C ATOM 451 C TYR A 29 2.197 -18.879 -10.894 1.00 1.00 C ATOM 452 O TYR A 29 1.622 -19.484 -9.990 1.00 1.00 O ATOM 453 CB TYR A 29 0.360 -19.282 -12.587 1.00 1.00 C ATOM 454 CG TYR A 29 -0.297 -17.915 -12.388 1.00 1.00 C ATOM 455 CD1 TYR A 29 -0.650 -17.482 -11.100 1.00 1.00 C ATOM 456 CD2 TYR A 29 -0.543 -17.076 -13.493 1.00 1.00 C ATOM 457 CE1 TYR A 29 -1.242 -16.225 -10.917 1.00 1.00 C ATOM 458 CE2 TYR A 29 -1.136 -15.823 -13.306 1.00 1.00 C ATOM 459 CZ TYR A 29 -1.484 -15.397 -12.019 1.00 1.00 C ATOM 460 OH TYR A 29 -2.065 -14.158 -11.837 1.00 1.00 O ATOM 0 H TYR A 29 2.050 -21.274 -12.467 1.00 1.00 H new ATOM 0 HA TYR A 29 2.251 -18.351 -12.984 1.00 1.00 H new ATOM 0 HB2 TYR A 29 0.155 -19.651 -13.592 1.00 1.00 H new ATOM 0 HB3 TYR A 29 -0.065 -20.004 -11.890 1.00 1.00 H new ATOM 0 HD1 TYR A 29 -0.465 -18.119 -10.248 1.00 1.00 H new ATOM 0 HD2 TYR A 29 -0.273 -17.401 -14.487 1.00 1.00 H new ATOM 0 HE1 TYR A 29 -1.512 -15.895 -9.925 1.00 1.00 H new ATOM 0 HE2 TYR A 29 -1.326 -15.184 -14.156 1.00 1.00 H new ATOM 0 HH TYR A 29 -1.820 -13.808 -10.955 1.00 1.00 H new ATOM 470 N LEU A 30 3.139 -17.954 -10.676 1.00 1.00 N ATOM 471 CA LEU A 30 3.583 -17.564 -9.332 1.00 1.00 C ATOM 472 C LEU A 30 2.689 -16.453 -8.762 1.00 1.00 C ATOM 473 O LEU A 30 2.742 -15.308 -9.210 1.00 1.00 O ATOM 474 CB LEU A 30 5.046 -17.056 -9.439 1.00 1.00 C ATOM 475 CG LEU A 30 6.038 -18.223 -9.793 1.00 1.00 C ATOM 476 CD1 LEU A 30 7.353 -17.638 -10.354 1.00 1.00 C ATOM 477 CD2 LEU A 30 6.383 -19.068 -8.534 1.00 1.00 C ATOM 0 H LEU A 30 3.615 -17.454 -11.427 1.00 1.00 H new ATOM 0 HA LEU A 30 3.520 -18.422 -8.662 1.00 1.00 H new ATOM 0 HB2 LEU A 30 5.108 -16.281 -10.203 1.00 1.00 H new ATOM 0 HB3 LEU A 30 5.343 -16.598 -8.495 1.00 1.00 H new ATOM 0 HG LEU A 30 5.551 -18.859 -10.532 1.00 1.00 H new ATOM 0 HD11 LEU A 30 8.038 -18.450 -10.598 1.00 1.00 H new ATOM 0 HD12 LEU A 30 7.140 -17.061 -11.254 1.00 1.00 H new ATOM 0 HD13 LEU A 30 7.811 -16.990 -9.607 1.00 1.00 H new ATOM 0 HD21 LEU A 30 7.071 -19.867 -8.810 1.00 1.00 H new ATOM 0 HD22 LEU A 30 6.850 -18.430 -7.784 1.00 1.00 H new ATOM 0 HD23 LEU A 30 5.470 -19.500 -8.124 1.00 1.00 H new ATOM 489 N ALA A 31 1.879 -16.805 -7.764 1.00 1.00 N ATOM 490 CA ALA A 31 0.984 -15.845 -7.124 1.00 1.00 C ATOM 491 C ALA A 31 1.780 -14.705 -6.487 1.00 1.00 C ATOM 492 O ALA A 31 1.282 -13.589 -6.333 1.00 1.00 O ATOM 493 CB ALA A 31 0.172 -16.563 -6.036 1.00 1.00 C ATOM 0 H ALA A 31 1.825 -17.749 -7.382 1.00 1.00 H new ATOM 0 HA ALA A 31 0.319 -15.427 -7.880 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -0.499 -15.852 -5.554 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -0.413 -17.364 -6.488 1.00 1.00 H new ATOM 0 HB3 ALA A 31 0.850 -16.983 -5.293 1.00 1.00 H new ATOM 499 N ASP A 32 3.016 -15.015 -6.095 1.00 1.00 N ATOM 500 CA ASP A 32 3.890 -14.039 -5.443 1.00 1.00 C ATOM 501 C ASP A 32 4.307 -12.938 -6.418 1.00 1.00 C ATOM 502 O ASP A 32 4.856 -11.916 -5.999 1.00 1.00 O ATOM 503 CB ASP A 32 5.140 -14.753 -4.907 1.00 1.00 C ATOM 504 CG ASP A 32 4.751 -15.788 -3.853 1.00 1.00 C ATOM 505 OD1 ASP A 32 3.764 -15.571 -3.171 1.00 1.00 O ATOM 506 OD2 ASP A 32 5.445 -16.787 -3.749 1.00 1.00 O ATOM 0 H ASP A 32 3.435 -15.937 -6.218 1.00 1.00 H new ATOM 0 HA ASP A 32 3.342 -13.578 -4.621 1.00 1.00 H new ATOM 0 HB2 ASP A 32 5.668 -15.240 -5.727 1.00 1.00 H new ATOM 0 HB3 ASP A 32 5.826 -14.024 -4.475 1.00 1.00 H new ATOM 511 N ARG A 33 4.037 -13.146 -7.717 1.00 1.00 N ATOM 512 CA ARG A 33 4.378 -12.160 -8.765 1.00 1.00 C ATOM 513 C ARG A 33 3.106 -11.512 -9.311 1.00 1.00 C ATOM 514 O ARG A 33 2.954 -11.339 -10.522 1.00 1.00 O ATOM 515 CB ARG A 33 5.157 -12.840 -9.914 1.00 1.00 C ATOM 516 CG ARG A 33 6.530 -13.329 -9.410 1.00 1.00 C ATOM 517 CD ARG A 33 7.340 -13.914 -10.575 1.00 1.00 C ATOM 518 NE ARG A 33 8.632 -14.417 -10.096 1.00 1.00 N ATOM 519 CZ ARG A 33 9.619 -13.596 -9.720 1.00 1.00 C ATOM 520 NH1 ARG A 33 9.461 -12.299 -9.780 1.00 1.00 N ATOM 521 NH2 ARG A 33 10.748 -14.091 -9.294 1.00 1.00 N ATOM 0 H ARG A 33 3.583 -13.988 -8.071 1.00 1.00 H new ATOM 0 HA ARG A 33 5.009 -11.389 -8.323 1.00 1.00 H new ATOM 0 HB2 ARG A 33 4.584 -13.681 -10.304 1.00 1.00 H new ATOM 0 HB3 ARG A 33 5.292 -12.138 -10.737 1.00 1.00 H new ATOM 0 HG2 ARG A 33 7.076 -12.502 -8.956 1.00 1.00 H new ATOM 0 HG3 ARG A 33 6.394 -14.084 -8.636 1.00 1.00 H new ATOM 0 HD2 ARG A 33 6.780 -14.722 -11.047 1.00 1.00 H new ATOM 0 HD3 ARG A 33 7.499 -13.150 -11.336 1.00 1.00 H new ATOM 0 HE ARG A 33 8.783 -15.425 -10.048 1.00 1.00 H new ATOM 0 HH11 ARG A 33 8.581 -11.907 -10.115 1.00 1.00 H new ATOM 0 HH12 ARG A 33 10.218 -11.679 -9.492 1.00 1.00 H new ATOM 0 HH21 ARG A 33 10.877 -15.102 -9.248 1.00 1.00 H new ATOM 0 HH22 ARG A 33 11.502 -13.467 -9.007 1.00 1.00 H new ATOM 535 N ALA A 34 2.214 -11.112 -8.404 1.00 1.00 N ATOM 536 CA ALA A 34 0.979 -10.436 -8.805 1.00 1.00 C ATOM 537 C ALA A 34 0.257 -9.859 -7.587 1.00 1.00 C ATOM 538 O ALA A 34 -0.005 -10.567 -6.613 1.00 1.00 O ATOM 539 CB ALA A 34 0.047 -11.436 -9.511 1.00 1.00 C ATOM 0 H ALA A 34 2.321 -11.242 -7.398 1.00 1.00 H new ATOM 0 HA ALA A 34 1.239 -9.623 -9.483 1.00 1.00 H new ATOM 0 HB1 ALA A 34 -0.871 -10.930 -9.808 1.00 1.00 H new ATOM 0 HB2 ALA A 34 0.544 -11.835 -10.395 1.00 1.00 H new ATOM 0 HB3 ALA A 34 -0.193 -12.253 -8.830 1.00 1.00 H new ATOM 545 N SER A 35 -0.068 -8.563 -7.654 1.00 1.00 N ATOM 546 CA SER A 35 -0.767 -7.864 -6.567 1.00 1.00 C ATOM 547 C SER A 35 -2.268 -7.858 -6.850 1.00 1.00 C ATOM 548 O SER A 35 -2.682 -8.164 -7.966 1.00 1.00 O ATOM 549 CB SER A 35 -0.247 -6.426 -6.482 1.00 1.00 C ATOM 550 OG SER A 35 1.148 -6.452 -6.202 1.00 1.00 O ATOM 0 H SER A 35 0.144 -7.971 -8.457 1.00 1.00 H new ATOM 0 HA SER A 35 -0.585 -8.373 -5.620 1.00 1.00 H new ATOM 0 HB2 SER A 35 -0.433 -5.903 -7.420 1.00 1.00 H new ATOM 0 HB3 SER A 35 -0.777 -5.880 -5.702 1.00 1.00 H new ATOM 0 HG SER A 35 1.488 -5.534 -6.148 1.00 1.00 H new ATOM 556 N ILE A 36 -3.084 -7.489 -5.852 1.00 1.00 N ATOM 557 CA ILE A 36 -4.549 -7.427 -6.023 1.00 1.00 C ATOM 558 C ILE A 36 -4.945 -5.993 -6.384 1.00 1.00 C ATOM 559 O ILE A 36 -4.376 -5.043 -5.842 1.00 1.00 O ATOM 560 CB ILE A 36 -5.256 -7.884 -4.716 1.00 1.00 C ATOM 561 CG1 ILE A 36 -6.798 -8.006 -4.922 1.00 1.00 C ATOM 562 CG2 ILE A 36 -4.976 -6.881 -3.575 1.00 1.00 C ATOM 563 CD1 ILE A 36 -7.174 -9.122 -5.922 1.00 1.00 C ATOM 0 H ILE A 36 -2.759 -7.229 -4.921 1.00 1.00 H new ATOM 0 HA ILE A 36 -4.860 -8.096 -6.826 1.00 1.00 H new ATOM 0 HB ILE A 36 -4.857 -8.863 -4.451 1.00 1.00 H new ATOM 0 HG12 ILE A 36 -7.275 -8.206 -3.963 1.00 1.00 H new ATOM 0 HG13 ILE A 36 -7.190 -7.054 -5.280 1.00 1.00 H new ATOM 0 HG21 ILE A 36 -5.477 -7.214 -2.666 1.00 1.00 H new ATOM 0 HG22 ILE A 36 -3.902 -6.823 -3.397 1.00 1.00 H new ATOM 0 HG23 ILE A 36 -5.350 -5.897 -3.856 1.00 1.00 H new ATOM 0 HD11 ILE A 36 -8.258 -9.165 -6.029 1.00 1.00 H new ATOM 0 HD12 ILE A 36 -6.722 -8.910 -6.891 1.00 1.00 H new ATOM 0 HD13 ILE A 36 -6.808 -10.080 -5.553 1.00 1.00 H new ATOM 575 N THR A 37 -5.917 -5.835 -7.293 1.00 1.00 N ATOM 576 CA THR A 37 -6.390 -4.502 -7.722 1.00 1.00 C ATOM 577 C THR A 37 -7.916 -4.439 -7.595 1.00 1.00 C ATOM 578 O THR A 37 -8.619 -5.280 -8.152 1.00 1.00 O ATOM 579 CB THR A 37 -5.976 -4.273 -9.192 1.00 1.00 C ATOM 580 OG1 THR A 37 -4.596 -4.573 -9.340 1.00 1.00 O ATOM 581 CG2 THR A 37 -6.208 -2.815 -9.594 1.00 1.00 C ATOM 0 H THR A 37 -6.395 -6.612 -7.749 1.00 1.00 H new ATOM 0 HA THR A 37 -5.948 -3.729 -7.094 1.00 1.00 H new ATOM 0 HB THR A 37 -6.578 -4.920 -9.830 1.00 1.00 H new ATOM 0 HG1 THR A 37 -4.328 -4.431 -10.272 1.00 1.00 H new ATOM 0 HG21 THR A 37 -5.911 -2.672 -10.633 1.00 1.00 H new ATOM 0 HG22 THR A 37 -7.264 -2.570 -9.482 1.00 1.00 H new ATOM 0 HG23 THR A 37 -5.615 -2.162 -8.954 1.00 1.00 H new ATOM 589 N GLY A 38 -8.430 -3.446 -6.868 1.00 1.00 N ATOM 590 CA GLY A 38 -9.879 -3.303 -6.687 1.00 1.00 C ATOM 591 C GLY A 38 -10.388 -4.259 -5.612 1.00 1.00 C ATOM 592 O GLY A 38 -9.793 -5.307 -5.362 1.00 1.00 O ATOM 0 H GLY A 38 -7.872 -2.733 -6.398 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -10.116 -2.276 -6.408 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -10.389 -3.503 -7.629 1.00 1.00 H new ATOM 596 N LYS A 39 -11.498 -3.881 -4.975 1.00 1.00 N ATOM 597 CA LYS A 39 -12.113 -4.691 -3.912 1.00 1.00 C ATOM 598 C LYS A 39 -13.180 -5.617 -4.501 1.00 1.00 C ATOM 599 O LYS A 39 -14.109 -5.164 -5.169 1.00 1.00 O ATOM 600 CB LYS A 39 -12.760 -3.753 -2.878 1.00 1.00 C ATOM 601 CG LYS A 39 -11.689 -2.817 -2.278 1.00 1.00 C ATOM 602 CD LYS A 39 -12.277 -1.962 -1.131 1.00 1.00 C ATOM 603 CE LYS A 39 -13.377 -1.001 -1.641 1.00 1.00 C ATOM 604 NZ LYS A 39 -13.620 0.049 -0.612 1.00 1.00 N ATOM 0 H LYS A 39 -11.995 -3.013 -5.176 1.00 1.00 H new ATOM 0 HA LYS A 39 -11.346 -5.300 -3.434 1.00 1.00 H new ATOM 0 HB2 LYS A 39 -13.547 -3.165 -3.350 1.00 1.00 H new ATOM 0 HB3 LYS A 39 -13.230 -4.338 -2.087 1.00 1.00 H new ATOM 0 HG2 LYS A 39 -10.853 -3.408 -1.904 1.00 1.00 H new ATOM 0 HG3 LYS A 39 -11.294 -2.164 -3.057 1.00 1.00 H new ATOM 0 HD2 LYS A 39 -12.692 -2.617 -0.365 1.00 1.00 H new ATOM 0 HD3 LYS A 39 -11.480 -1.386 -0.661 1.00 1.00 H new ATOM 0 HE2 LYS A 39 -13.070 -0.543 -2.581 1.00 1.00 H new ATOM 0 HE3 LYS A 39 -14.296 -1.553 -1.840 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 -14.359 0.700 -0.948 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 -13.929 -0.399 0.274 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 -12.742 0.580 -0.444 1.00 1.00 H new ATOM 618 N PHE A 40 -13.053 -6.923 -4.221 1.00 1.00 N ATOM 619 CA PHE A 40 -14.009 -7.943 -4.684 1.00 1.00 C ATOM 620 C PHE A 40 -14.766 -8.510 -3.478 1.00 1.00 C ATOM 621 O PHE A 40 -14.157 -8.914 -2.488 1.00 1.00 O ATOM 622 CB PHE A 40 -13.248 -9.073 -5.395 1.00 1.00 C ATOM 623 CG PHE A 40 -12.397 -8.464 -6.501 1.00 1.00 C ATOM 624 CD1 PHE A 40 -12.973 -8.151 -7.745 1.00 1.00 C ATOM 625 CD2 PHE A 40 -11.033 -8.192 -6.281 1.00 1.00 C ATOM 626 CE1 PHE A 40 -12.192 -7.573 -8.753 1.00 1.00 C ATOM 627 CE2 PHE A 40 -10.259 -7.619 -7.292 1.00 1.00 C ATOM 628 CZ PHE A 40 -10.837 -7.309 -8.528 1.00 1.00 C ATOM 0 H PHE A 40 -12.285 -7.303 -3.667 1.00 1.00 H new ATOM 0 HA PHE A 40 -14.718 -7.493 -5.380 1.00 1.00 H new ATOM 0 HB2 PHE A 40 -12.619 -9.610 -4.685 1.00 1.00 H new ATOM 0 HB3 PHE A 40 -13.948 -9.797 -5.812 1.00 1.00 H new ATOM 0 HD1 PHE A 40 -14.018 -8.357 -7.923 1.00 1.00 H new ATOM 0 HD2 PHE A 40 -10.584 -8.427 -5.327 1.00 1.00 H new ATOM 0 HE1 PHE A 40 -12.637 -7.330 -9.707 1.00 1.00 H new ATOM 0 HE2 PHE A 40 -9.213 -7.415 -7.120 1.00 1.00 H new ATOM 0 HZ PHE A 40 -10.237 -6.866 -9.309 1.00 1.00 H new ATOM 638 N SER A 41 -16.097 -8.539 -3.570 1.00 1.00 N ATOM 639 CA SER A 41 -16.932 -9.059 -2.488 1.00 1.00 C ATOM 640 C SER A 41 -16.795 -10.576 -2.393 1.00 1.00 C ATOM 641 O SER A 41 -16.308 -11.227 -3.317 1.00 1.00 O ATOM 642 CB SER A 41 -18.399 -8.691 -2.740 1.00 1.00 C ATOM 643 OG SER A 41 -18.524 -7.276 -2.797 1.00 1.00 O ATOM 0 H SER A 41 -16.618 -8.209 -4.382 1.00 1.00 H new ATOM 0 HA SER A 41 -16.602 -8.615 -1.549 1.00 1.00 H new ATOM 0 HB2 SER A 41 -18.743 -9.136 -3.674 1.00 1.00 H new ATOM 0 HB3 SER A 41 -19.028 -9.092 -1.945 1.00 1.00 H new ATOM 0 HG SER A 41 -19.460 -7.037 -2.960 1.00 1.00 H new ATOM 649 N ASP A 42 -17.236 -11.128 -1.270 1.00 1.00 N ATOM 650 CA ASP A 42 -17.171 -12.567 -1.046 1.00 1.00 C ATOM 651 C ASP A 42 -18.052 -13.305 -2.054 1.00 1.00 C ATOM 652 O ASP A 42 -17.856 -14.495 -2.284 1.00 1.00 O ATOM 653 CB ASP A 42 -17.626 -12.887 0.387 1.00 1.00 C ATOM 654 CG ASP A 42 -16.663 -12.262 1.396 1.00 1.00 C ATOM 655 OD1 ASP A 42 -15.479 -12.205 1.101 1.00 1.00 O ATOM 656 OD2 ASP A 42 -17.123 -11.853 2.449 1.00 1.00 O ATOM 0 H ASP A 42 -17.643 -10.600 -0.498 1.00 1.00 H new ATOM 0 HA ASP A 42 -16.142 -12.900 -1.180 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -18.634 -12.506 0.550 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -17.666 -13.967 0.532 1.00 1.00 H new ATOM 661 N ALA A 43 -19.022 -12.607 -2.663 1.00 1.00 N ATOM 662 CA ALA A 43 -19.912 -13.228 -3.669 1.00 1.00 C ATOM 663 C ALA A 43 -19.335 -13.039 -5.079 1.00 1.00 C ATOM 664 O ALA A 43 -19.803 -13.649 -6.040 1.00 1.00 O ATOM 665 CB ALA A 43 -21.309 -12.608 -3.591 1.00 1.00 C ATOM 0 H ALA A 43 -19.213 -11.621 -2.483 1.00 1.00 H new ATOM 0 HA ALA A 43 -19.985 -14.295 -3.458 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -21.955 -13.073 -4.336 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -21.725 -12.772 -2.597 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -21.243 -11.537 -3.785 1.00 1.00 H new ATOM 671 N GLU A 44 -18.318 -12.172 -5.194 1.00 1.00 N ATOM 672 CA GLU A 44 -17.662 -11.863 -6.484 1.00 1.00 C ATOM 673 C GLU A 44 -16.265 -12.492 -6.568 1.00 1.00 C ATOM 674 O GLU A 44 -15.773 -12.761 -7.665 1.00 1.00 O ATOM 675 CB GLU A 44 -17.551 -10.332 -6.635 1.00 1.00 C ATOM 676 CG GLU A 44 -18.959 -9.715 -6.731 1.00 1.00 C ATOM 677 CD GLU A 44 -18.882 -8.188 -6.838 1.00 1.00 C ATOM 678 OE1 GLU A 44 -17.784 -7.662 -6.946 1.00 1.00 O ATOM 679 OE2 GLU A 44 -19.932 -7.565 -6.817 1.00 1.00 O ATOM 0 H GLU A 44 -17.925 -11.664 -4.402 1.00 1.00 H new ATOM 0 HA GLU A 44 -18.266 -12.282 -7.289 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -17.017 -9.911 -5.783 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -16.974 -10.086 -7.527 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -19.479 -10.119 -7.600 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -19.543 -9.993 -5.853 1.00 1.00 H new ATOM 686 N CYS A 45 -15.623 -12.730 -5.424 1.00 1.00 N ATOM 687 CA CYS A 45 -14.277 -13.333 -5.422 1.00 1.00 C ATOM 688 C CYS A 45 -14.342 -14.802 -5.917 1.00 1.00 C ATOM 689 O CYS A 45 -13.518 -15.206 -6.737 1.00 1.00 O ATOM 690 CB CYS A 45 -13.633 -13.226 -3.990 1.00 1.00 C ATOM 691 SG CYS A 45 -11.994 -12.437 -4.064 1.00 1.00 S ATOM 0 H CYS A 45 -15.999 -12.521 -4.499 1.00 1.00 H new ATOM 0 HA CYS A 45 -13.638 -12.782 -6.113 1.00 1.00 H new ATOM 0 HB2 CYS A 45 -14.288 -12.650 -3.336 1.00 1.00 H new ATOM 0 HB3 CYS A 45 -13.542 -14.221 -3.554 1.00 1.00 H new ATOM 0 HG CYS A 45 -11.494 -12.363 -2.866 1.00 1.00 H new ATOM 697 N PRO A 46 -15.288 -15.602 -5.447 1.00 1.00 N ATOM 698 CA PRO A 46 -15.414 -17.037 -5.876 1.00 1.00 C ATOM 699 C PRO A 46 -15.562 -17.185 -7.393 1.00 1.00 C ATOM 700 O PRO A 46 -14.905 -18.020 -8.010 1.00 1.00 O ATOM 701 CB PRO A 46 -16.688 -17.530 -5.132 1.00 1.00 C ATOM 702 CG PRO A 46 -16.785 -16.622 -3.943 1.00 1.00 C ATOM 703 CD PRO A 46 -16.335 -15.249 -4.467 1.00 1.00 C ATOM 0 HA PRO A 46 -14.523 -17.616 -5.633 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -17.573 -17.457 -5.764 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -16.596 -18.574 -4.831 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -17.803 -16.584 -3.555 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -16.146 -16.965 -3.129 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -17.157 -14.704 -4.931 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -15.945 -14.619 -3.668 1.00 1.00 H new ATOM 711 N LYS A 47 -16.447 -16.374 -7.975 1.00 1.00 N ATOM 712 CA LYS A 47 -16.708 -16.424 -9.412 1.00 1.00 C ATOM 713 C LYS A 47 -15.423 -16.164 -10.202 1.00 1.00 C ATOM 714 O LYS A 47 -15.243 -16.701 -11.291 1.00 1.00 O ATOM 715 CB LYS A 47 -17.781 -15.387 -9.792 1.00 1.00 C ATOM 716 CG LYS A 47 -19.111 -15.721 -9.096 1.00 1.00 C ATOM 717 CD LYS A 47 -20.168 -14.666 -9.464 1.00 1.00 C ATOM 718 CE LYS A 47 -21.494 -14.987 -8.763 1.00 1.00 C ATOM 719 NZ LYS A 47 -22.505 -13.949 -9.115 1.00 1.00 N ATOM 0 H LYS A 47 -16.994 -15.675 -7.472 1.00 1.00 H new ATOM 0 HA LYS A 47 -17.073 -17.420 -9.662 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -17.451 -14.389 -9.503 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -17.920 -15.376 -10.873 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -19.452 -16.712 -9.398 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -18.970 -15.747 -8.015 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -19.822 -13.675 -9.170 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -20.313 -14.646 -10.544 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -21.848 -15.973 -9.065 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -21.349 -15.018 -7.683 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -23.405 -14.166 -8.640 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -22.166 -13.016 -8.806 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -22.650 -13.941 -10.145 1.00 1.00 H new ATOM 733 N LEU A 48 -14.529 -15.333 -9.664 1.00 1.00 N ATOM 734 CA LEU A 48 -13.272 -15.028 -10.356 1.00 1.00 C ATOM 735 C LEU A 48 -12.424 -16.306 -10.501 1.00 1.00 C ATOM 736 O LEU A 48 -11.749 -16.510 -11.508 1.00 1.00 O ATOM 737 CB LEU A 48 -12.492 -13.930 -9.582 1.00 1.00 C ATOM 738 CG LEU A 48 -11.412 -13.231 -10.491 1.00 1.00 C ATOM 739 CD1 LEU A 48 -12.040 -12.074 -11.304 1.00 1.00 C ATOM 740 CD2 LEU A 48 -10.271 -12.657 -9.622 1.00 1.00 C ATOM 0 H LEU A 48 -14.647 -14.865 -8.766 1.00 1.00 H new ATOM 0 HA LEU A 48 -13.495 -14.651 -11.354 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -13.191 -13.182 -9.208 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -12.005 -14.374 -8.714 1.00 1.00 H new ATOM 0 HG LEU A 48 -11.019 -13.983 -11.175 1.00 1.00 H new ATOM 0 HD11 LEU A 48 -11.274 -11.607 -11.924 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -12.833 -12.465 -11.941 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -12.455 -11.333 -10.621 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -9.532 -12.177 -10.263 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -10.678 -11.924 -8.925 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -9.797 -13.465 -9.064 1.00 1.00 H new ATOM 752 N ASP A 49 -12.455 -17.152 -9.464 1.00 1.00 N ATOM 753 CA ASP A 49 -11.679 -18.402 -9.453 1.00 1.00 C ATOM 754 C ASP A 49 -12.227 -19.412 -10.470 1.00 1.00 C ATOM 755 O ASP A 49 -11.588 -20.427 -10.737 1.00 1.00 O ATOM 756 CB ASP A 49 -11.708 -19.016 -8.043 1.00 1.00 C ATOM 757 CG ASP A 49 -11.052 -18.071 -7.035 1.00 1.00 C ATOM 758 OD1 ASP A 49 -10.185 -17.312 -7.437 1.00 1.00 O ATOM 759 OD2 ASP A 49 -11.430 -18.120 -5.877 1.00 1.00 O ATOM 0 H ASP A 49 -13.008 -16.995 -8.621 1.00 1.00 H new ATOM 0 HA ASP A 49 -10.652 -18.166 -9.733 1.00 1.00 H new ATOM 0 HB2 ASP A 49 -12.738 -19.215 -7.747 1.00 1.00 H new ATOM 0 HB3 ASP A 49 -11.187 -19.973 -8.046 1.00 1.00 H new ATOM 764 N VAL A 50 -13.409 -19.135 -11.028 1.00 1.00 N ATOM 765 CA VAL A 50 -14.033 -20.020 -12.028 1.00 1.00 C ATOM 766 C VAL A 50 -13.457 -19.739 -13.423 1.00 1.00 C ATOM 767 O VAL A 50 -13.090 -20.664 -14.147 1.00 1.00 O ATOM 768 CB VAL A 50 -15.565 -19.799 -12.037 1.00 1.00 C ATOM 769 CG1 VAL A 50 -16.255 -20.778 -13.015 1.00 1.00 C ATOM 770 CG2 VAL A 50 -16.116 -20.038 -10.619 1.00 1.00 C ATOM 0 H VAL A 50 -13.958 -18.304 -10.807 1.00 1.00 H new ATOM 0 HA VAL A 50 -13.819 -21.056 -11.764 1.00 1.00 H new ATOM 0 HB VAL A 50 -15.769 -18.778 -12.360 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -17.331 -20.604 -13.005 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -15.871 -20.617 -14.022 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -16.050 -21.804 -12.708 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -17.195 -19.884 -10.617 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -15.895 -21.060 -10.310 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -15.649 -19.340 -9.925 1.00 1.00 H new ATOM 780 N VAL A 51 -13.402 -18.454 -13.807 1.00 1.00 N ATOM 781 CA VAL A 51 -12.892 -18.064 -15.135 1.00 1.00 C ATOM 782 C VAL A 51 -11.365 -18.237 -15.226 1.00 1.00 C ATOM 783 O VAL A 51 -10.820 -18.437 -16.312 1.00 1.00 O ATOM 784 CB VAL A 51 -13.296 -16.602 -15.449 1.00 1.00 C ATOM 785 CG1 VAL A 51 -14.832 -16.490 -15.508 1.00 1.00 C ATOM 786 CG2 VAL A 51 -12.765 -15.658 -14.358 1.00 1.00 C ATOM 0 H VAL A 51 -13.701 -17.672 -13.224 1.00 1.00 H new ATOM 0 HA VAL A 51 -13.340 -18.724 -15.878 1.00 1.00 H new ATOM 0 HB VAL A 51 -12.867 -16.319 -16.410 1.00 1.00 H new ATOM 0 HG11 VAL A 51 -15.114 -15.460 -15.729 1.00 1.00 H new ATOM 0 HG12 VAL A 51 -15.215 -17.147 -16.289 1.00 1.00 H new ATOM 0 HG13 VAL A 51 -15.255 -16.784 -14.547 1.00 1.00 H new ATOM 0 HG21 VAL A 51 -13.056 -14.633 -14.590 1.00 1.00 H new ATOM 0 HG22 VAL A 51 -13.184 -15.944 -13.393 1.00 1.00 H new ATOM 0 HG23 VAL A 51 -11.678 -15.726 -14.316 1.00 1.00 H new ATOM 796 N PHE A 52 -10.681 -18.150 -14.082 1.00 1.00 N ATOM 797 CA PHE A 52 -9.214 -18.294 -14.042 1.00 1.00 C ATOM 798 C PHE A 52 -8.759 -19.628 -14.690 1.00 1.00 C ATOM 799 O PHE A 52 -8.019 -19.603 -15.674 1.00 1.00 O ATOM 800 CB PHE A 52 -8.693 -18.179 -12.555 1.00 1.00 C ATOM 801 CG PHE A 52 -8.003 -16.826 -12.281 1.00 1.00 C ATOM 802 CD1 PHE A 52 -8.727 -15.632 -12.433 1.00 1.00 C ATOM 803 CD2 PHE A 52 -6.649 -16.762 -11.864 1.00 1.00 C ATOM 804 CE1 PHE A 52 -8.114 -14.394 -12.173 1.00 1.00 C ATOM 805 CE2 PHE A 52 -6.048 -15.524 -11.605 1.00 1.00 C ATOM 806 CZ PHE A 52 -6.778 -14.341 -11.760 1.00 1.00 C ATOM 0 H PHE A 52 -11.112 -17.982 -13.173 1.00 1.00 H new ATOM 0 HA PHE A 52 -8.777 -17.484 -14.625 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -9.530 -18.303 -11.868 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -7.992 -18.989 -12.354 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -9.759 -15.665 -12.751 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -6.079 -17.672 -11.746 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -8.677 -13.480 -12.292 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -5.017 -15.482 -11.285 1.00 1.00 H new ATOM 0 HZ PHE A 52 -6.311 -13.388 -11.561 1.00 1.00 H new ATOM 816 N PRO A 53 -9.153 -20.782 -14.170 1.00 1.00 N ATOM 817 CA PRO A 53 -8.721 -22.093 -14.750 1.00 1.00 C ATOM 818 C PRO A 53 -9.190 -22.241 -16.198 1.00 1.00 C ATOM 819 O PRO A 53 -8.528 -22.890 -16.996 1.00 1.00 O ATOM 820 CB PRO A 53 -9.365 -23.144 -13.803 1.00 1.00 C ATOM 821 CG PRO A 53 -10.546 -22.418 -13.234 1.00 1.00 C ATOM 822 CD PRO A 53 -10.038 -20.987 -13.007 1.00 1.00 C ATOM 0 HA PRO A 53 -7.638 -22.203 -14.803 1.00 1.00 H new ATOM 0 HB2 PRO A 53 -9.667 -24.041 -14.344 1.00 1.00 H new ATOM 0 HB3 PRO A 53 -8.673 -23.460 -13.023 1.00 1.00 H new ATOM 0 HG2 PRO A 53 -11.392 -22.435 -13.921 1.00 1.00 H new ATOM 0 HG3 PRO A 53 -10.882 -22.873 -12.302 1.00 1.00 H new ATOM 0 HD2 PRO A 53 -10.854 -20.264 -12.984 1.00 1.00 H new ATOM 0 HD3 PRO A 53 -9.500 -20.891 -12.064 1.00 1.00 H new ATOM 830 N HIS A 54 -10.328 -21.631 -16.538 1.00 1.00 N ATOM 831 CA HIS A 54 -10.842 -21.711 -17.909 1.00 1.00 C ATOM 832 C HIS A 54 -9.840 -21.076 -18.874 1.00 1.00 C ATOM 833 O HIS A 54 -9.527 -21.644 -19.920 1.00 1.00 O ATOM 834 CB HIS A 54 -12.199 -20.998 -18.012 1.00 1.00 C ATOM 835 CG HIS A 54 -13.183 -21.638 -17.064 1.00 1.00 C ATOM 836 ND1 HIS A 54 -12.940 -22.862 -16.459 1.00 1.00 N ATOM 837 CD2 HIS A 54 -14.418 -21.238 -16.614 1.00 1.00 C ATOM 838 CE1 HIS A 54 -14.003 -23.152 -15.686 1.00 1.00 C ATOM 839 NE2 HIS A 54 -14.932 -22.196 -15.743 1.00 1.00 N ATOM 0 H HIS A 54 -10.903 -21.085 -15.896 1.00 1.00 H new ATOM 0 HA HIS A 54 -10.980 -22.759 -18.175 1.00 1.00 H new ATOM 0 HB2 HIS A 54 -12.084 -19.941 -17.773 1.00 1.00 H new ATOM 0 HB3 HIS A 54 -12.574 -21.055 -19.034 1.00 1.00 H new ATOM 0 HD2 HIS A 54 -14.915 -20.320 -16.893 1.00 1.00 H new ATOM 0 HE1 HIS A 54 -14.093 -24.049 -15.092 1.00 1.00 H new ATOM 0 HE2 HIS A 54 -15.827 -22.172 -15.254 1.00 1.00 H new ATOM 848 N PHE A 55 -9.316 -19.908 -18.496 1.00 1.00 N ATOM 849 CA PHE A 55 -8.320 -19.222 -19.319 1.00 1.00 C ATOM 850 C PHE A 55 -7.031 -20.037 -19.390 1.00 1.00 C ATOM 851 O PHE A 55 -6.433 -20.148 -20.456 1.00 1.00 O ATOM 852 CB PHE A 55 -8.014 -17.829 -18.726 1.00 1.00 C ATOM 853 CG PHE A 55 -7.054 -17.063 -19.646 1.00 1.00 C ATOM 854 CD1 PHE A 55 -7.535 -16.507 -20.842 1.00 1.00 C ATOM 855 CD2 PHE A 55 -5.692 -16.913 -19.312 1.00 1.00 C ATOM 856 CE1 PHE A 55 -6.670 -15.809 -21.694 1.00 1.00 C ATOM 857 CE2 PHE A 55 -4.832 -16.214 -20.169 1.00 1.00 C ATOM 858 CZ PHE A 55 -5.320 -15.662 -21.357 1.00 1.00 C ATOM 0 H PHE A 55 -9.562 -19.422 -17.634 1.00 1.00 H new ATOM 0 HA PHE A 55 -8.724 -19.109 -20.325 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -8.939 -17.266 -18.604 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -7.573 -17.936 -17.735 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -8.576 -16.618 -21.106 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -5.312 -17.337 -18.395 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -7.046 -15.383 -22.613 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -3.789 -16.101 -19.911 1.00 1.00 H new ATOM 0 HZ PHE A 55 -4.655 -15.122 -22.015 1.00 1.00 H new ATOM 868 N ILE A 56 -6.600 -20.610 -18.258 1.00 1.00 N ATOM 869 CA ILE A 56 -5.369 -21.416 -18.229 1.00 1.00 C ATOM 870 C ILE A 56 -5.610 -22.760 -18.935 1.00 1.00 C ATOM 871 O ILE A 56 -4.726 -23.295 -19.605 1.00 1.00 O ATOM 872 CB ILE A 56 -4.862 -21.603 -16.778 1.00 1.00 C ATOM 873 CG1 ILE A 56 -4.666 -20.204 -16.130 1.00 1.00 C ATOM 874 CG2 ILE A 56 -3.516 -22.369 -16.789 1.00 1.00 C ATOM 875 CD1 ILE A 56 -4.308 -20.332 -14.642 1.00 1.00 C ATOM 0 H ILE A 56 -7.078 -20.533 -17.360 1.00 1.00 H new ATOM 0 HA ILE A 56 -4.583 -20.888 -18.770 1.00 1.00 H new ATOM 0 HB ILE A 56 -5.590 -22.176 -16.204 1.00 1.00 H new ATOM 0 HG12 ILE A 56 -3.876 -19.665 -16.653 1.00 1.00 H new ATOM 0 HG13 ILE A 56 -5.578 -19.618 -16.239 1.00 1.00 H new ATOM 0 HG21 ILE A 56 -3.163 -22.498 -15.766 1.00 1.00 H new ATOM 0 HG22 ILE A 56 -3.657 -23.346 -17.251 1.00 1.00 H new ATOM 0 HG23 ILE A 56 -2.779 -21.802 -17.358 1.00 1.00 H new ATOM 0 HD11 ILE A 56 -4.176 -19.339 -14.213 1.00 1.00 H new ATOM 0 HD12 ILE A 56 -5.111 -20.850 -14.118 1.00 1.00 H new ATOM 0 HD13 ILE A 56 -3.382 -20.898 -14.538 1.00 1.00 H new ATOM 887 N SER A 57 -6.809 -23.312 -18.764 1.00 1.00 N ATOM 888 CA SER A 57 -7.178 -24.597 -19.374 1.00 1.00 C ATOM 889 C SER A 57 -7.312 -24.528 -20.908 1.00 1.00 C ATOM 890 O SER A 57 -6.934 -25.472 -21.601 1.00 1.00 O ATOM 891 CB SER A 57 -8.509 -25.085 -18.791 1.00 1.00 C ATOM 892 OG SER A 57 -8.850 -26.334 -19.381 1.00 1.00 O ATOM 0 H SER A 57 -7.550 -22.889 -18.205 1.00 1.00 H new ATOM 0 HA SER A 57 -6.367 -25.289 -19.144 1.00 1.00 H new ATOM 0 HB2 SER A 57 -8.429 -25.191 -17.709 1.00 1.00 H new ATOM 0 HB3 SER A 57 -9.293 -24.353 -18.982 1.00 1.00 H new ATOM 0 HG SER A 57 -9.700 -26.650 -19.009 1.00 1.00 H new ATOM 898 N GLN A 58 -7.897 -23.437 -21.441 1.00 1.00 N ATOM 899 CA GLN A 58 -8.118 -23.307 -22.903 1.00 1.00 C ATOM 900 C GLN A 58 -6.854 -22.832 -23.623 1.00 1.00 C ATOM 901 O GLN A 58 -6.481 -23.393 -24.656 1.00 1.00 O ATOM 902 CB GLN A 58 -9.294 -22.336 -23.157 1.00 1.00 C ATOM 903 CG GLN A 58 -9.684 -22.290 -24.654 1.00 1.00 C ATOM 904 CD GLN A 58 -10.262 -23.630 -25.113 1.00 1.00 C ATOM 905 OE1 GLN A 58 -11.090 -24.222 -24.421 1.00 1.00 O ATOM 906 NE2 GLN A 58 -9.869 -24.145 -26.247 1.00 1.00 N ATOM 0 H GLN A 58 -8.223 -22.641 -20.893 1.00 1.00 H new ATOM 0 HA GLN A 58 -8.365 -24.289 -23.307 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -10.156 -22.645 -22.566 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -9.019 -21.336 -22.821 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -10.416 -21.499 -24.818 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -8.808 -22.043 -25.254 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -9.183 -23.654 -26.820 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -10.248 -25.039 -26.560 1.00 1.00 H new ATOM 915 N ILE A 59 -6.194 -21.812 -23.091 1.00 1.00 N ATOM 916 CA ILE A 59 -4.972 -21.293 -23.713 1.00 1.00 C ATOM 917 C ILE A 59 -3.945 -22.418 -23.902 1.00 1.00 C ATOM 918 O ILE A 59 -3.224 -22.448 -24.890 1.00 1.00 O ATOM 919 CB ILE A 59 -4.390 -20.159 -22.826 1.00 1.00 C ATOM 920 CG1 ILE A 59 -3.289 -19.377 -23.587 1.00 1.00 C ATOM 921 CG2 ILE A 59 -3.801 -20.735 -21.515 1.00 1.00 C ATOM 922 CD1 ILE A 59 -2.814 -18.173 -22.753 1.00 1.00 C ATOM 0 H ILE A 59 -6.476 -21.328 -22.239 1.00 1.00 H new ATOM 0 HA ILE A 59 -5.209 -20.890 -24.698 1.00 1.00 H new ATOM 0 HB ILE A 59 -5.205 -19.478 -22.581 1.00 1.00 H new ATOM 0 HG12 ILE A 59 -2.447 -20.036 -23.799 1.00 1.00 H new ATOM 0 HG13 ILE A 59 -3.675 -19.033 -24.547 1.00 1.00 H new ATOM 0 HG21 ILE A 59 -3.399 -19.923 -20.909 1.00 1.00 H new ATOM 0 HG22 ILE A 59 -4.585 -21.249 -20.959 1.00 1.00 H new ATOM 0 HG23 ILE A 59 -3.004 -21.439 -21.753 1.00 1.00 H new ATOM 0 HD11 ILE A 59 -2.041 -17.634 -23.300 1.00 1.00 H new ATOM 0 HD12 ILE A 59 -3.656 -17.507 -22.563 1.00 1.00 H new ATOM 0 HD13 ILE A 59 -2.409 -18.525 -21.804 1.00 1.00 H new ATOM 934 N GLU A 60 -3.899 -23.348 -22.946 1.00 1.00 N ATOM 935 CA GLU A 60 -2.965 -24.475 -23.020 1.00 1.00 C ATOM 936 C GLU A 60 -3.141 -25.237 -24.342 1.00 1.00 C ATOM 937 O GLU A 60 -2.164 -25.548 -25.023 1.00 1.00 O ATOM 938 CB GLU A 60 -3.215 -25.419 -21.825 1.00 1.00 C ATOM 939 CG GLU A 60 -2.154 -26.537 -21.776 1.00 1.00 C ATOM 940 CD GLU A 60 -2.369 -27.432 -20.551 1.00 1.00 C ATOM 941 OE1 GLU A 60 -3.428 -27.351 -19.947 1.00 1.00 O ATOM 942 OE2 GLU A 60 -1.465 -28.187 -20.235 1.00 1.00 O ATOM 0 H GLU A 60 -4.493 -23.344 -22.117 1.00 1.00 H new ATOM 0 HA GLU A 60 -1.944 -24.096 -22.980 1.00 1.00 H new ATOM 0 HB2 GLU A 60 -3.193 -24.850 -20.896 1.00 1.00 H new ATOM 0 HB3 GLU A 60 -4.209 -25.859 -21.905 1.00 1.00 H new ATOM 0 HG2 GLU A 60 -2.207 -27.136 -22.685 1.00 1.00 H new ATOM 0 HG3 GLU A 60 -1.157 -26.098 -21.742 1.00 1.00 H new ATOM 949 N SER A 61 -4.398 -25.518 -24.704 1.00 1.00 N ATOM 950 CA SER A 61 -4.690 -26.226 -25.961 1.00 1.00 C ATOM 951 C SER A 61 -4.412 -25.313 -27.157 1.00 1.00 C ATOM 952 O SER A 61 -3.999 -25.776 -28.220 1.00 1.00 O ATOM 953 CB SER A 61 -6.139 -26.717 -25.983 1.00 1.00 C ATOM 954 OG SER A 61 -6.384 -27.512 -24.831 1.00 1.00 O ATOM 0 H SER A 61 -5.221 -25.271 -24.155 1.00 1.00 H new ATOM 0 HA SER A 61 -4.038 -27.097 -26.028 1.00 1.00 H new ATOM 0 HB2 SER A 61 -6.822 -25.868 -26.005 1.00 1.00 H new ATOM 0 HB3 SER A 61 -6.324 -27.298 -26.886 1.00 1.00 H new ATOM 0 HG SER A 61 -7.312 -27.826 -24.842 1.00 1.00 H new ATOM 960 N MET A 62 -4.628 -24.010 -26.973 1.00 1.00 N ATOM 961 CA MET A 62 -4.382 -23.034 -28.040 1.00 1.00 C ATOM 962 C MET A 62 -2.912 -23.077 -28.472 1.00 1.00 C ATOM 963 O MET A 62 -2.608 -22.838 -29.637 1.00 1.00 O ATOM 964 CB MET A 62 -4.768 -21.611 -27.569 1.00 1.00 C ATOM 965 CG MET A 62 -4.784 -20.620 -28.756 1.00 1.00 C ATOM 966 SD MET A 62 -4.996 -18.924 -28.141 1.00 1.00 S ATOM 967 CE MET A 62 -6.647 -19.085 -27.409 1.00 1.00 C ATOM 0 H MET A 62 -4.971 -23.606 -26.101 1.00 1.00 H new ATOM 0 HA MET A 62 -5.002 -23.293 -28.898 1.00 1.00 H new ATOM 0 HB2 MET A 62 -5.750 -21.634 -27.097 1.00 1.00 H new ATOM 0 HB3 MET A 62 -4.060 -21.269 -26.815 1.00 1.00 H new ATOM 0 HG2 MET A 62 -3.854 -20.698 -29.319 1.00 1.00 H new ATOM 0 HG3 MET A 62 -5.594 -20.872 -29.441 1.00 1.00 H new ATOM 0 HE1 MET A 62 -7.102 -18.099 -27.317 1.00 1.00 H new ATOM 0 HE2 MET A 62 -7.268 -19.713 -28.047 1.00 1.00 H new ATOM 0 HE3 MET A 62 -6.565 -19.540 -26.422 1.00 1.00 H new ATOM 977 N LEU A 63 -2.006 -23.389 -27.544 1.00 1.00 N ATOM 978 CA LEU A 63 -0.575 -23.460 -27.881 1.00 1.00 C ATOM 979 C LEU A 63 -0.351 -24.525 -28.969 1.00 1.00 C ATOM 980 O LEU A 63 0.410 -24.308 -29.913 1.00 1.00 O ATOM 981 CB LEU A 63 0.254 -23.817 -26.627 1.00 1.00 C ATOM 982 CG LEU A 63 0.165 -22.698 -25.548 1.00 1.00 C ATOM 983 CD1 LEU A 63 0.828 -23.193 -24.246 1.00 1.00 C ATOM 984 CD2 LEU A 63 0.858 -21.386 -26.022 1.00 1.00 C ATOM 0 H LEU A 63 -2.227 -23.594 -26.569 1.00 1.00 H new ATOM 0 HA LEU A 63 -0.252 -22.487 -28.252 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -0.104 -24.757 -26.208 1.00 1.00 H new ATOM 0 HB3 LEU A 63 1.296 -23.970 -26.909 1.00 1.00 H new ATOM 0 HG LEU A 63 -0.888 -22.475 -25.375 1.00 1.00 H new ATOM 0 HD11 LEU A 63 0.768 -22.412 -23.488 1.00 1.00 H new ATOM 0 HD12 LEU A 63 0.311 -24.085 -23.891 1.00 1.00 H new ATOM 0 HD13 LEU A 63 1.874 -23.432 -24.438 1.00 1.00 H new ATOM 0 HD21 LEU A 63 0.775 -20.629 -25.242 1.00 1.00 H new ATOM 0 HD22 LEU A 63 1.910 -21.584 -26.226 1.00 1.00 H new ATOM 0 HD23 LEU A 63 0.374 -21.026 -26.930 1.00 1.00 H new ATOM 996 N THR A 64 -1.036 -25.670 -28.836 1.00 1.00 N ATOM 997 CA THR A 64 -0.934 -26.771 -29.813 1.00 1.00 C ATOM 998 C THR A 64 -1.905 -26.570 -30.987 1.00 1.00 C ATOM 999 O THR A 64 -1.489 -26.590 -32.147 1.00 1.00 O ATOM 1000 CB THR A 64 -1.241 -28.113 -29.109 1.00 1.00 C ATOM 1001 OG1 THR A 64 -0.456 -28.211 -27.930 1.00 1.00 O ATOM 1002 CG2 THR A 64 -0.924 -29.306 -30.031 1.00 1.00 C ATOM 0 H THR A 64 -1.669 -25.861 -28.060 1.00 1.00 H new ATOM 0 HA THR A 64 0.080 -26.781 -30.212 1.00 1.00 H new ATOM 0 HB THR A 64 -2.302 -28.140 -28.861 1.00 1.00 H new ATOM 0 HG1 THR A 64 -0.648 -29.059 -27.479 1.00 1.00 H new ATOM 0 HG21 THR A 64 -1.149 -30.237 -29.511 1.00 1.00 H new ATOM 0 HG22 THR A 64 -1.530 -29.239 -30.934 1.00 1.00 H new ATOM 0 HG23 THR A 64 0.132 -29.287 -30.301 1.00 1.00 H new ATOM 1010 N THR A 65 -3.200 -26.413 -30.690 1.00 1.00 N ATOM 1011 CA THR A 65 -4.209 -26.253 -31.749 1.00 1.00 C ATOM 1012 C THR A 65 -4.020 -24.938 -32.509 1.00 1.00 C ATOM 1013 O THR A 65 -4.181 -24.897 -33.730 1.00 1.00 O ATOM 1014 CB THR A 65 -5.618 -26.301 -31.143 1.00 1.00 C ATOM 1015 OG1 THR A 65 -5.775 -25.216 -30.239 1.00 1.00 O ATOM 1016 CG2 THR A 65 -5.817 -27.619 -30.390 1.00 1.00 C ATOM 0 H THR A 65 -3.573 -26.393 -29.741 1.00 1.00 H new ATOM 0 HA THR A 65 -4.085 -27.074 -32.455 1.00 1.00 H new ATOM 0 HB THR A 65 -6.356 -26.229 -31.942 1.00 1.00 H new ATOM 0 HG1 THR A 65 -5.067 -25.249 -29.562 1.00 1.00 H new ATOM 0 HG21 THR A 65 -6.819 -27.646 -29.962 1.00 1.00 H new ATOM 0 HG22 THR A 65 -5.694 -28.454 -31.080 1.00 1.00 H new ATOM 0 HG23 THR A 65 -5.080 -27.696 -29.591 1.00 1.00 H new ATOM 1024 N GLY A 66 -3.676 -23.868 -31.793 1.00 1.00 N ATOM 1025 CA GLY A 66 -3.462 -22.555 -32.423 1.00 1.00 C ATOM 1026 C GLY A 66 -2.084 -22.497 -33.072 1.00 1.00 C ATOM 1027 O GLY A 66 -1.696 -21.477 -33.640 1.00 1.00 O ATOM 0 H GLY A 66 -3.539 -23.878 -30.782 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -4.232 -22.374 -33.173 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -3.553 -21.767 -31.676 1.00 1.00 H new ATOM 1031 N GLU A 67 -1.353 -23.614 -32.976 1.00 1.00 N ATOM 1032 CA GLU A 67 0.003 -23.739 -33.542 1.00 1.00 C ATOM 1033 C GLU A 67 0.827 -22.466 -33.289 1.00 1.00 C ATOM 1034 O GLU A 67 1.084 -21.689 -34.209 1.00 1.00 O ATOM 1035 CB GLU A 67 -0.093 -24.028 -35.055 1.00 1.00 C ATOM 1036 CG GLU A 67 1.294 -24.368 -35.640 1.00 1.00 C ATOM 1037 CD GLU A 67 1.190 -24.675 -37.135 1.00 1.00 C ATOM 1038 OE1 GLU A 67 0.162 -24.375 -37.723 1.00 1.00 O ATOM 1039 OE2 GLU A 67 2.151 -25.200 -37.674 1.00 1.00 O ATOM 0 H GLU A 67 -1.681 -24.457 -32.505 1.00 1.00 H new ATOM 0 HA GLU A 67 0.512 -24.567 -33.049 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -0.778 -24.858 -35.228 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -0.506 -23.161 -35.569 1.00 1.00 H new ATOM 0 HG2 GLU A 67 1.976 -23.532 -35.482 1.00 1.00 H new ATOM 0 HG3 GLU A 67 1.715 -25.226 -35.116 1.00 1.00 H new ATOM 1046 N LEU A 68 1.218 -22.244 -32.029 1.00 1.00 N ATOM 1047 CA LEU A 68 1.997 -21.048 -31.658 1.00 1.00 C ATOM 1048 C LEU A 68 3.483 -21.279 -31.943 1.00 1.00 C ATOM 1049 O LEU A 68 3.997 -22.388 -31.791 1.00 1.00 O ATOM 1050 CB LEU A 68 1.769 -20.723 -30.146 1.00 1.00 C ATOM 1051 CG LEU A 68 0.494 -19.840 -29.924 1.00 1.00 C ATOM 1052 CD1 LEU A 68 0.709 -18.376 -30.427 1.00 1.00 C ATOM 1053 CD2 LEU A 68 -0.735 -20.481 -30.628 1.00 1.00 C ATOM 0 H LEU A 68 1.012 -22.870 -31.251 1.00 1.00 H new ATOM 0 HA LEU A 68 1.663 -20.199 -32.254 1.00 1.00 H new ATOM 0 HB2 LEU A 68 1.669 -21.653 -29.586 1.00 1.00 H new ATOM 0 HB3 LEU A 68 2.643 -20.205 -29.750 1.00 1.00 H new ATOM 0 HG LEU A 68 0.306 -19.794 -28.851 1.00 1.00 H new ATOM 0 HD11 LEU A 68 -0.198 -17.796 -30.256 1.00 1.00 H new ATOM 0 HD12 LEU A 68 1.538 -17.923 -29.884 1.00 1.00 H new ATOM 0 HD13 LEU A 68 0.936 -18.387 -31.493 1.00 1.00 H new ATOM 0 HD21 LEU A 68 -1.614 -19.857 -30.465 1.00 1.00 H new ATOM 0 HD22 LEU A 68 -0.540 -20.562 -31.697 1.00 1.00 H new ATOM 0 HD23 LEU A 68 -0.914 -21.474 -30.215 1.00 1.00 H new ATOM 1065 N ASN A 69 4.160 -20.199 -32.358 1.00 1.00 N ATOM 1066 CA ASN A 69 5.595 -20.215 -32.680 1.00 1.00 C ATOM 1067 C ASN A 69 6.291 -19.061 -31.942 1.00 1.00 C ATOM 1068 O ASN A 69 6.545 -18.014 -32.537 1.00 1.00 O ATOM 1069 CB ASN A 69 5.764 -20.035 -34.201 1.00 1.00 C ATOM 1070 CG ASN A 69 7.232 -20.153 -34.603 1.00 1.00 C ATOM 1071 OD1 ASN A 69 7.731 -19.346 -35.389 1.00 1.00 O ATOM 1072 ND2 ASN A 69 7.951 -21.125 -34.118 1.00 1.00 N ATOM 0 H ASN A 69 3.725 -19.284 -32.481 1.00 1.00 H new ATOM 0 HA ASN A 69 6.040 -21.161 -32.370 1.00 1.00 H new ATOM 0 HB2 ASN A 69 5.177 -20.787 -34.728 1.00 1.00 H new ATOM 0 HB3 ASN A 69 5.378 -19.061 -34.501 1.00 1.00 H new ATOM 0 HD21 ASN A 69 8.930 -21.220 -34.389 1.00 1.00 H new ATOM 0 HD22 ASN A 69 7.535 -21.792 -33.467 1.00 1.00 H new ATOM 1079 N PRO A 70 6.596 -19.206 -30.664 1.00 1.00 N ATOM 1080 CA PRO A 70 7.267 -18.115 -29.878 1.00 1.00 C ATOM 1081 C PRO A 70 8.443 -17.482 -30.640 1.00 1.00 C ATOM 1082 O PRO A 70 9.553 -18.016 -30.640 1.00 1.00 O ATOM 1083 CB PRO A 70 7.725 -18.847 -28.592 1.00 1.00 C ATOM 1084 CG PRO A 70 6.679 -19.904 -28.395 1.00 1.00 C ATOM 1085 CD PRO A 70 6.350 -20.401 -29.819 1.00 1.00 C ATOM 0 HA PRO A 70 6.608 -17.271 -29.676 1.00 1.00 H new ATOM 0 HB2 PRO A 70 8.717 -19.282 -28.710 1.00 1.00 H new ATOM 0 HB3 PRO A 70 7.774 -18.168 -27.741 1.00 1.00 H new ATOM 0 HG2 PRO A 70 7.049 -20.715 -27.768 1.00 1.00 H new ATOM 0 HG3 PRO A 70 5.795 -19.499 -27.903 1.00 1.00 H new ATOM 0 HD2 PRO A 70 6.986 -21.237 -30.110 1.00 1.00 H new ATOM 0 HD3 PRO A 70 5.318 -20.743 -29.897 1.00 1.00 H new ATOM 1093 N ARG A 71 8.184 -16.324 -31.268 1.00 1.00 N ATOM 1094 CA ARG A 71 9.215 -15.601 -32.015 1.00 1.00 C ATOM 1095 C ARG A 71 8.695 -14.212 -32.409 1.00 1.00 C ATOM 1096 O ARG A 71 9.238 -13.196 -31.979 1.00 1.00 O ATOM 1097 CB ARG A 71 9.604 -16.402 -33.266 1.00 1.00 C ATOM 1098 CG ARG A 71 10.756 -15.714 -34.023 1.00 1.00 C ATOM 1099 CD ARG A 71 11.190 -16.590 -35.206 1.00 1.00 C ATOM 1100 NE ARG A 71 10.087 -16.735 -36.159 1.00 1.00 N ATOM 1101 CZ ARG A 71 10.174 -17.542 -37.220 1.00 1.00 C ATOM 1102 NH1 ARG A 71 11.263 -18.233 -37.441 1.00 1.00 N ATOM 1103 NH2 ARG A 71 9.164 -17.644 -38.041 1.00 1.00 N ATOM 0 H ARG A 71 7.270 -15.872 -31.271 1.00 1.00 H new ATOM 0 HA ARG A 71 10.098 -15.478 -31.388 1.00 1.00 H new ATOM 0 HB2 ARG A 71 9.903 -17.410 -32.979 1.00 1.00 H new ATOM 0 HB3 ARG A 71 8.740 -16.501 -33.923 1.00 1.00 H new ATOM 0 HG2 ARG A 71 10.436 -14.735 -34.380 1.00 1.00 H new ATOM 0 HG3 ARG A 71 11.598 -15.549 -33.351 1.00 1.00 H new ATOM 0 HD2 ARG A 71 12.052 -16.144 -35.702 1.00 1.00 H new ATOM 0 HD3 ARG A 71 11.501 -17.571 -34.847 1.00 1.00 H new ATOM 0 HE ARG A 71 9.229 -16.205 -36.008 1.00 1.00 H new ATOM 0 HH11 ARG A 71 12.053 -18.158 -36.801 1.00 1.00 H new ATOM 0 HH12 ARG A 71 11.321 -18.847 -38.253 1.00 1.00 H new ATOM 0 HH21 ARG A 71 8.313 -17.109 -37.871 1.00 1.00 H new ATOM 0 HH22 ARG A 71 9.226 -18.259 -38.852 1.00 1.00 H new ATOM 1117 N HIS A 72 7.636 -14.181 -33.239 1.00 1.00 N ATOM 1118 CA HIS A 72 7.027 -12.916 -33.704 1.00 1.00 C ATOM 1119 C HIS A 72 5.850 -12.530 -32.801 1.00 1.00 C ATOM 1120 O HIS A 72 5.043 -13.380 -32.423 1.00 1.00 O ATOM 1121 CB HIS A 72 6.527 -13.074 -35.157 1.00 1.00 C ATOM 1122 CG HIS A 72 5.996 -11.754 -35.671 1.00 1.00 C ATOM 1123 ND1 HIS A 72 6.829 -10.678 -35.939 1.00 1.00 N ATOM 1124 CD2 HIS A 72 4.723 -11.319 -35.953 1.00 1.00 C ATOM 1125 CE1 HIS A 72 6.057 -9.659 -36.358 1.00 1.00 C ATOM 1126 NE2 HIS A 72 4.764 -9.996 -36.386 1.00 1.00 N ATOM 0 H HIS A 72 7.182 -15.018 -33.603 1.00 1.00 H new ATOM 0 HA HIS A 72 7.783 -12.131 -33.663 1.00 1.00 H new ATOM 0 HB2 HIS A 72 7.341 -13.420 -35.794 1.00 1.00 H new ATOM 0 HB3 HIS A 72 5.744 -13.831 -35.200 1.00 1.00 H new ATOM 0 HD2 HIS A 72 3.827 -11.913 -35.854 1.00 1.00 H new ATOM 0 HE1 HIS A 72 6.436 -8.687 -36.638 1.00 1.00 H new ATOM 0 HE2 HIS A 72 3.977 -9.410 -36.665 1.00 1.00 H new ATOM 1135 N ALA A 73 5.758 -11.243 -32.463 1.00 1.00 N ATOM 1136 CA ALA A 73 4.676 -10.749 -31.611 1.00 1.00 C ATOM 1137 C ALA A 73 3.328 -10.904 -32.315 1.00 1.00 C ATOM 1138 O ALA A 73 3.227 -10.703 -33.525 1.00 1.00 O ATOM 1139 CB ALA A 73 4.912 -9.270 -31.278 1.00 1.00 C ATOM 0 H ALA A 73 6.418 -10.526 -32.765 1.00 1.00 H new ATOM 0 HA ALA A 73 4.663 -11.334 -30.691 1.00 1.00 H new ATOM 0 HB1 ALA A 73 4.104 -8.906 -30.643 1.00 1.00 H new ATOM 0 HB2 ALA A 73 5.862 -9.162 -30.754 1.00 1.00 H new ATOM 0 HB3 ALA A 73 4.939 -8.689 -32.200 1.00 1.00 H new ATOM 1145 N GLN A 74 2.291 -11.248 -31.546 1.00 1.00 N ATOM 1146 CA GLN A 74 0.943 -11.415 -32.102 1.00 1.00 C ATOM 1147 C GLN A 74 -0.097 -11.340 -30.979 1.00 1.00 C ATOM 1148 O GLN A 74 -0.256 -12.281 -30.202 1.00 1.00 O ATOM 1149 CB GLN A 74 0.852 -12.776 -32.821 1.00 1.00 C ATOM 1150 CG GLN A 74 -0.500 -12.924 -33.544 1.00 1.00 C ATOM 1151 CD GLN A 74 -0.563 -14.265 -34.269 1.00 1.00 C ATOM 1152 OE1 GLN A 74 -0.211 -15.298 -33.699 1.00 1.00 O ATOM 1153 NE2 GLN A 74 -0.992 -14.313 -35.502 1.00 1.00 N ATOM 0 H GLN A 74 2.357 -11.416 -30.542 1.00 1.00 H new ATOM 0 HA GLN A 74 0.743 -10.617 -32.817 1.00 1.00 H new ATOM 0 HB2 GLN A 74 1.666 -12.867 -33.540 1.00 1.00 H new ATOM 0 HB3 GLN A 74 0.973 -13.583 -32.098 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -1.316 -12.852 -32.825 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -0.631 -12.110 -34.257 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -1.284 -13.457 -35.974 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -1.035 -15.206 -35.992 1.00 1.00 H new ATOM 1162 N CYS A 75 -0.802 -10.208 -30.903 1.00 1.00 N ATOM 1163 CA CYS A 75 -1.826 -9.999 -29.873 1.00 1.00 C ATOM 1164 C CYS A 75 -3.083 -10.804 -30.207 1.00 1.00 C ATOM 1165 O CYS A 75 -3.476 -10.876 -31.372 1.00 1.00 O ATOM 1166 CB CYS A 75 -2.173 -8.501 -29.803 1.00 1.00 C ATOM 1167 SG CYS A 75 -0.655 -7.533 -29.598 1.00 1.00 S ATOM 0 H CYS A 75 -0.683 -9.422 -31.542 1.00 1.00 H new ATOM 0 HA CYS A 75 -1.441 -10.334 -28.910 1.00 1.00 H new ATOM 0 HB2 CYS A 75 -2.691 -8.195 -30.712 1.00 1.00 H new ATOM 0 HB3 CYS A 75 -2.851 -8.313 -28.971 1.00 1.00 H new ATOM 0 HG CYS A 75 -0.471 -7.276 -28.337 1.00 1.00 H new ATOM 1173 N VAL A 76 -3.711 -11.416 -29.178 1.00 1.00 N ATOM 1174 CA VAL A 76 -4.938 -12.229 -29.373 1.00 1.00 C ATOM 1175 C VAL A 76 -5.979 -11.865 -28.310 1.00 1.00 C ATOM 1176 O VAL A 76 -5.628 -11.682 -27.142 1.00 1.00 O ATOM 1177 CB VAL A 76 -4.587 -13.730 -29.278 1.00 1.00 C ATOM 1178 CG1 VAL A 76 -5.822 -14.588 -29.617 1.00 1.00 C ATOM 1179 CG2 VAL A 76 -3.445 -14.055 -30.260 1.00 1.00 C ATOM 0 H VAL A 76 -3.393 -11.365 -28.210 1.00 1.00 H new ATOM 0 HA VAL A 76 -5.354 -12.021 -30.359 1.00 1.00 H new ATOM 0 HB VAL A 76 -4.269 -13.956 -28.260 1.00 1.00 H new ATOM 0 HG11 VAL A 76 -5.562 -15.644 -29.547 1.00 1.00 H new ATOM 0 HG12 VAL A 76 -6.624 -14.364 -28.914 1.00 1.00 H new ATOM 0 HG13 VAL A 76 -6.154 -14.363 -30.630 1.00 1.00 H new ATOM 0 HG21 VAL A 76 -3.198 -15.114 -30.193 1.00 1.00 H new ATOM 0 HG22 VAL A 76 -3.761 -13.820 -31.276 1.00 1.00 H new ATOM 0 HG23 VAL A 76 -2.567 -13.461 -30.007 1.00 1.00 H new ATOM 1189 N THR A 77 -7.261 -11.770 -28.711 1.00 1.00 N ATOM 1190 CA THR A 77 -8.366 -11.438 -27.781 1.00 1.00 C ATOM 1191 C THR A 77 -9.337 -12.624 -27.663 1.00 1.00 C ATOM 1192 O THR A 77 -9.998 -12.992 -28.636 1.00 1.00 O ATOM 1193 CB THR A 77 -9.121 -10.207 -28.307 1.00 1.00 C ATOM 1194 OG1 THR A 77 -9.616 -10.483 -29.610 1.00 1.00 O ATOM 1195 CG2 THR A 77 -8.176 -8.999 -28.362 1.00 1.00 C ATOM 0 H THR A 77 -7.561 -11.918 -29.674 1.00 1.00 H new ATOM 0 HA THR A 77 -7.950 -11.224 -26.797 1.00 1.00 H new ATOM 0 HB THR A 77 -9.951 -9.979 -27.639 1.00 1.00 H new ATOM 0 HG1 THR A 77 -9.891 -11.422 -29.663 1.00 1.00 H new ATOM 0 HG21 THR A 77 -8.718 -8.130 -28.736 1.00 1.00 H new ATOM 0 HG22 THR A 77 -7.797 -8.788 -27.362 1.00 1.00 H new ATOM 0 HG23 THR A 77 -7.341 -9.220 -29.027 1.00 1.00 H new ATOM 1203 N LEU A 78 -9.419 -13.215 -26.457 1.00 1.00 N ATOM 1204 CA LEU A 78 -10.311 -14.366 -26.185 1.00 1.00 C ATOM 1205 C LEU A 78 -11.552 -13.896 -25.431 1.00 1.00 C ATOM 1206 O LEU A 78 -11.458 -13.011 -24.582 1.00 1.00 O ATOM 1207 CB LEU A 78 -9.554 -15.414 -25.336 1.00 1.00 C ATOM 1208 CG LEU A 78 -10.456 -16.687 -25.048 1.00 1.00 C ATOM 1209 CD1 LEU A 78 -9.647 -17.988 -25.234 1.00 1.00 C ATOM 1210 CD2 LEU A 78 -10.997 -16.654 -23.600 1.00 1.00 C ATOM 0 H LEU A 78 -8.876 -12.914 -25.648 1.00 1.00 H new ATOM 0 HA LEU A 78 -10.617 -14.814 -27.130 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -8.647 -15.720 -25.857 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -9.244 -14.965 -24.392 1.00 1.00 H new ATOM 0 HG LEU A 78 -11.285 -16.665 -25.756 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -10.287 -18.847 -25.031 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -9.279 -18.044 -26.258 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -8.803 -17.993 -24.544 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -11.613 -17.535 -23.422 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -10.162 -16.647 -22.900 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -11.598 -15.756 -23.456 1.00 1.00 H new ATOM 1222 N TYR A 79 -12.724 -14.489 -25.734 1.00 1.00 N ATOM 1223 CA TYR A 79 -13.987 -14.115 -25.060 1.00 1.00 C ATOM 1224 C TYR A 79 -14.866 -15.357 -24.855 1.00 1.00 C ATOM 1225 O TYR A 79 -15.111 -16.111 -25.795 1.00 1.00 O ATOM 1226 CB TYR A 79 -14.733 -13.074 -25.915 1.00 1.00 C ATOM 1227 CG TYR A 79 -15.003 -13.653 -27.302 1.00 1.00 C ATOM 1228 CD1 TYR A 79 -14.043 -13.525 -28.322 1.00 1.00 C ATOM 1229 CD2 TYR A 79 -16.205 -14.332 -27.565 1.00 1.00 C ATOM 1230 CE1 TYR A 79 -14.286 -14.069 -29.589 1.00 1.00 C ATOM 1231 CE2 TYR A 79 -16.443 -14.878 -28.832 1.00 1.00 C ATOM 1232 CZ TYR A 79 -15.486 -14.746 -29.844 1.00 1.00 C ATOM 1233 OH TYR A 79 -15.720 -15.288 -31.091 1.00 1.00 O ATOM 0 H TYR A 79 -12.824 -15.223 -26.435 1.00 1.00 H new ATOM 0 HA TYR A 79 -13.761 -13.686 -24.084 1.00 1.00 H new ATOM 0 HB2 TYR A 79 -15.672 -12.799 -25.435 1.00 1.00 H new ATOM 0 HB3 TYR A 79 -14.139 -12.164 -25.999 1.00 1.00 H new ATOM 0 HD1 TYR A 79 -13.116 -13.006 -28.127 1.00 1.00 H new ATOM 0 HD2 TYR A 79 -16.947 -14.433 -26.787 1.00 1.00 H new ATOM 0 HE1 TYR A 79 -13.548 -13.967 -30.371 1.00 1.00 H new ATOM 0 HE2 TYR A 79 -17.367 -15.402 -29.028 1.00 1.00 H new ATOM 0 HH TYR A 79 -16.598 -15.723 -31.099 1.00 1.00 H new ATOM 1243 N HIS A 80 -15.321 -15.577 -23.622 1.00 1.00 N ATOM 1244 CA HIS A 80 -16.156 -16.745 -23.312 1.00 1.00 C ATOM 1245 C HIS A 80 -16.954 -16.523 -22.031 1.00 1.00 C ATOM 1246 O HIS A 80 -17.590 -17.448 -21.523 1.00 1.00 O ATOM 1247 CB HIS A 80 -15.270 -17.997 -23.176 1.00 1.00 C ATOM 1248 CG HIS A 80 -16.125 -19.234 -23.044 1.00 1.00 C ATOM 1249 ND1 HIS A 80 -16.231 -19.939 -21.855 1.00 1.00 N ATOM 1250 CD2 HIS A 80 -16.926 -19.893 -23.944 1.00 1.00 C ATOM 1251 CE1 HIS A 80 -17.069 -20.970 -22.069 1.00 1.00 C ATOM 1252 NE2 HIS A 80 -17.522 -20.988 -23.326 1.00 1.00 N ATOM 0 H HIS A 80 -15.130 -14.970 -22.825 1.00 1.00 H new ATOM 0 HA HIS A 80 -16.863 -16.890 -24.129 1.00 1.00 H new ATOM 0 HB2 HIS A 80 -14.621 -18.087 -24.047 1.00 1.00 H new ATOM 0 HB3 HIS A 80 -14.623 -17.900 -22.304 1.00 1.00 H new ATOM 0 HD2 HIS A 80 -17.071 -19.605 -24.975 1.00 1.00 H new ATOM 0 HE1 HIS A 80 -17.342 -21.695 -21.316 1.00 1.00 H new ATOM 0 HE2 HIS A 80 -18.166 -21.660 -23.743 1.00 1.00 H new ATOM 1261 N ASN A 81 -16.937 -15.296 -21.519 1.00 1.00 N ATOM 1262 CA ASN A 81 -17.688 -14.972 -20.302 1.00 1.00 C ATOM 1263 C ASN A 81 -17.783 -13.458 -20.123 1.00 1.00 C ATOM 1264 O ASN A 81 -17.781 -12.946 -19.004 1.00 1.00 O ATOM 1265 CB ASN A 81 -17.018 -15.625 -19.084 1.00 1.00 C ATOM 1266 CG ASN A 81 -17.847 -15.409 -17.813 1.00 1.00 C ATOM 1267 OD1 ASN A 81 -17.387 -15.725 -16.716 1.00 1.00 O ATOM 1268 ND2 ASN A 81 -19.043 -14.888 -17.892 1.00 1.00 N ATOM 0 H ASN A 81 -16.418 -14.514 -21.920 1.00 1.00 H new ATOM 0 HA ASN A 81 -18.700 -15.366 -20.394 1.00 1.00 H new ATOM 0 HB2 ASN A 81 -16.894 -16.693 -19.263 1.00 1.00 H new ATOM 0 HB3 ASN A 81 -16.021 -15.207 -18.946 1.00 1.00 H new ATOM 0 HD21 ASN A 81 -19.593 -14.744 -17.045 1.00 1.00 H new ATOM 0 HD22 ASN A 81 -19.426 -14.625 -18.800 1.00 1.00 H new ATOM 1275 N GLY A 82 -17.875 -12.748 -21.248 1.00 1.00 N ATOM 1276 CA GLY A 82 -17.982 -11.287 -21.241 1.00 1.00 C ATOM 1277 C GLY A 82 -16.639 -10.638 -20.948 1.00 1.00 C ATOM 1278 O GLY A 82 -16.374 -9.520 -21.393 1.00 1.00 O ATOM 0 H GLY A 82 -17.878 -13.162 -22.180 1.00 1.00 H new ATOM 0 HA2 GLY A 82 -18.352 -10.942 -22.207 1.00 1.00 H new ATOM 0 HA3 GLY A 82 -18.710 -10.977 -20.491 1.00 1.00 H new ATOM 1282 N PHE A 83 -15.779 -11.345 -20.209 1.00 1.00 N ATOM 1283 CA PHE A 83 -14.448 -10.832 -19.875 1.00 1.00 C ATOM 1284 C PHE A 83 -13.494 -11.112 -21.028 1.00 1.00 C ATOM 1285 O PHE A 83 -13.617 -12.136 -21.701 1.00 1.00 O ATOM 1286 CB PHE A 83 -13.934 -11.516 -18.595 1.00 1.00 C ATOM 1287 CG PHE A 83 -14.952 -11.321 -17.473 1.00 1.00 C ATOM 1288 CD1 PHE A 83 -15.173 -10.035 -16.953 1.00 1.00 C ATOM 1289 CD2 PHE A 83 -15.678 -12.412 -16.951 1.00 1.00 C ATOM 1290 CE1 PHE A 83 -16.104 -9.842 -15.927 1.00 1.00 C ATOM 1291 CE2 PHE A 83 -16.607 -12.212 -15.926 1.00 1.00 C ATOM 1292 CZ PHE A 83 -16.820 -10.928 -15.414 1.00 1.00 C ATOM 0 H PHE A 83 -15.980 -12.271 -19.832 1.00 1.00 H new ATOM 0 HA PHE A 83 -14.505 -9.757 -19.706 1.00 1.00 H new ATOM 0 HB2 PHE A 83 -13.775 -12.579 -18.776 1.00 1.00 H new ATOM 0 HB3 PHE A 83 -12.972 -11.094 -18.305 1.00 1.00 H new ATOM 0 HD1 PHE A 83 -14.623 -9.193 -17.346 1.00 1.00 H new ATOM 0 HD2 PHE A 83 -15.516 -13.405 -17.344 1.00 1.00 H new ATOM 0 HE1 PHE A 83 -16.270 -8.851 -15.530 1.00 1.00 H new ATOM 0 HE2 PHE A 83 -17.161 -13.050 -15.529 1.00 1.00 H new ATOM 0 HZ PHE A 83 -17.538 -10.775 -14.622 1.00 1.00 H new ATOM 1302 N THR A 84 -12.534 -10.204 -21.252 1.00 1.00 N ATOM 1303 CA THR A 84 -11.538 -10.358 -22.330 1.00 1.00 C ATOM 1304 C THR A 84 -10.143 -10.084 -21.781 1.00 1.00 C ATOM 1305 O THR A 84 -9.794 -8.939 -21.491 1.00 1.00 O ATOM 1306 CB THR A 84 -11.845 -9.363 -23.459 1.00 1.00 C ATOM 1307 OG1 THR A 84 -11.690 -8.038 -22.972 1.00 1.00 O ATOM 1308 CG2 THR A 84 -13.285 -9.559 -23.952 1.00 1.00 C ATOM 0 H THR A 84 -12.423 -9.352 -20.702 1.00 1.00 H new ATOM 0 HA THR A 84 -11.582 -11.376 -22.718 1.00 1.00 H new ATOM 0 HB THR A 84 -11.157 -9.535 -24.287 1.00 1.00 H new ATOM 0 HG1 THR A 84 -10.957 -8.012 -22.322 1.00 1.00 H new ATOM 0 HG21 THR A 84 -13.495 -8.850 -24.753 1.00 1.00 H new ATOM 0 HG22 THR A 84 -13.406 -10.575 -24.327 1.00 1.00 H new ATOM 0 HG23 THR A 84 -13.978 -9.391 -23.127 1.00 1.00 H new ATOM 1316 N CYS A 85 -9.336 -11.144 -21.641 1.00 1.00 N ATOM 1317 CA CYS A 85 -7.970 -11.015 -21.128 1.00 1.00 C ATOM 1318 C CYS A 85 -7.037 -10.707 -22.298 1.00 1.00 C ATOM 1319 O CYS A 85 -7.117 -11.384 -23.324 1.00 1.00 O ATOM 1320 CB CYS A 85 -7.562 -12.346 -20.480 1.00 1.00 C ATOM 1321 SG CYS A 85 -8.600 -12.653 -19.026 1.00 1.00 S ATOM 0 H CYS A 85 -9.607 -12.099 -21.876 1.00 1.00 H new ATOM 0 HA CYS A 85 -7.910 -10.215 -20.391 1.00 1.00 H new ATOM 0 HB2 CYS A 85 -7.671 -13.160 -21.196 1.00 1.00 H new ATOM 0 HB3 CYS A 85 -6.512 -12.315 -20.190 1.00 1.00 H new ATOM 0 HG CYS A 85 -8.257 -13.781 -18.478 1.00 1.00 H new ATOM 1327 N GLU A 86 -6.145 -9.712 -22.166 1.00 1.00 N ATOM 1328 CA GLU A 86 -5.211 -9.373 -23.257 1.00 1.00 C ATOM 1329 C GLU A 86 -3.913 -10.161 -23.075 1.00 1.00 C ATOM 1330 O GLU A 86 -3.393 -10.251 -21.962 1.00 1.00 O ATOM 1331 CB GLU A 86 -4.918 -7.861 -23.234 1.00 1.00 C ATOM 1332 CG GLU A 86 -4.027 -7.461 -24.425 1.00 1.00 C ATOM 1333 CD GLU A 86 -3.771 -5.955 -24.407 1.00 1.00 C ATOM 1334 OE1 GLU A 86 -4.735 -5.212 -24.335 1.00 1.00 O ATOM 1335 OE2 GLU A 86 -2.614 -5.567 -24.465 1.00 1.00 O ATOM 0 H GLU A 86 -6.049 -9.135 -21.330 1.00 1.00 H new ATOM 0 HA GLU A 86 -5.657 -9.633 -24.217 1.00 1.00 H new ATOM 0 HB2 GLU A 86 -5.854 -7.304 -23.270 1.00 1.00 H new ATOM 0 HB3 GLU A 86 -4.425 -7.595 -22.299 1.00 1.00 H new ATOM 0 HG2 GLU A 86 -3.080 -7.999 -24.378 1.00 1.00 H new ATOM 0 HG3 GLU A 86 -4.509 -7.745 -25.361 1.00 1.00 H new ATOM 1342 N ALA A 87 -3.394 -10.724 -24.171 1.00 1.00 N ATOM 1343 CA ALA A 87 -2.143 -11.507 -24.140 1.00 1.00 C ATOM 1344 C ALA A 87 -1.272 -11.134 -25.333 1.00 1.00 C ATOM 1345 O ALA A 87 -1.775 -11.006 -26.450 1.00 1.00 O ATOM 1346 CB ALA A 87 -2.477 -13.004 -24.193 1.00 1.00 C ATOM 0 H ALA A 87 -3.819 -10.655 -25.096 1.00 1.00 H new ATOM 0 HA ALA A 87 -1.602 -11.287 -23.220 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -1.554 -13.584 -24.170 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -3.094 -13.270 -23.335 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -3.021 -13.223 -25.112 1.00 1.00 H new ATOM 1352 N ASP A 88 0.043 -10.970 -25.100 1.00 1.00 N ATOM 1353 CA ASP A 88 0.987 -10.616 -26.174 1.00 1.00 C ATOM 1354 C ASP A 88 2.335 -11.287 -25.896 1.00 1.00 C ATOM 1355 O ASP A 88 2.770 -11.343 -24.746 1.00 1.00 O ATOM 1356 CB ASP A 88 1.152 -9.084 -26.226 1.00 1.00 C ATOM 1357 CG ASP A 88 -0.217 -8.407 -26.235 1.00 1.00 C ATOM 1358 OD1 ASP A 88 -1.021 -8.747 -27.081 1.00 1.00 O ATOM 1359 OD2 ASP A 88 -0.443 -7.555 -25.388 1.00 1.00 O ATOM 0 H ASP A 88 0.474 -11.077 -24.182 1.00 1.00 H new ATOM 0 HA ASP A 88 0.607 -10.962 -27.135 1.00 1.00 H new ATOM 0 HB2 ASP A 88 1.729 -8.743 -25.366 1.00 1.00 H new ATOM 0 HB3 ASP A 88 1.712 -8.801 -27.117 1.00 1.00 H new ATOM 1364 N THR A 89 2.992 -11.805 -26.936 1.00 1.00 N ATOM 1365 CA THR A 89 4.292 -12.482 -26.770 1.00 1.00 C ATOM 1366 C THR A 89 5.444 -11.479 -26.908 1.00 1.00 C ATOM 1367 O THR A 89 6.593 -11.792 -26.598 1.00 1.00 O ATOM 1368 CB THR A 89 4.408 -13.592 -27.834 1.00 1.00 C ATOM 1369 OG1 THR A 89 3.272 -14.441 -27.736 1.00 1.00 O ATOM 1370 CG2 THR A 89 5.677 -14.435 -27.627 1.00 1.00 C ATOM 0 H THR A 89 2.653 -11.772 -27.898 1.00 1.00 H new ATOM 0 HA THR A 89 4.353 -12.921 -25.774 1.00 1.00 H new ATOM 0 HB THR A 89 4.462 -13.124 -28.817 1.00 1.00 H new ATOM 0 HG1 THR A 89 3.334 -15.150 -28.410 1.00 1.00 H new ATOM 0 HG21 THR A 89 5.729 -15.209 -28.393 1.00 1.00 H new ATOM 0 HG22 THR A 89 6.555 -13.794 -27.699 1.00 1.00 H new ATOM 0 HG23 THR A 89 5.647 -14.901 -26.642 1.00 1.00 H new ATOM 1378 N LEU A 90 5.125 -10.269 -27.380 1.00 1.00 N ATOM 1379 CA LEU A 90 6.129 -9.207 -27.577 1.00 1.00 C ATOM 1380 C LEU A 90 7.232 -9.699 -28.524 1.00 1.00 C ATOM 1381 O LEU A 90 8.257 -9.040 -28.695 1.00 1.00 O ATOM 1382 CB LEU A 90 6.731 -8.741 -26.209 1.00 1.00 C ATOM 1383 CG LEU A 90 5.843 -7.662 -25.536 1.00 1.00 C ATOM 1384 CD1 LEU A 90 4.419 -8.203 -25.304 1.00 1.00 C ATOM 1385 CD2 LEU A 90 6.467 -7.253 -24.189 1.00 1.00 C ATOM 0 H LEU A 90 4.176 -9.996 -27.635 1.00 1.00 H new ATOM 0 HA LEU A 90 5.639 -8.345 -28.030 1.00 1.00 H new ATOM 0 HB2 LEU A 90 6.831 -9.598 -25.543 1.00 1.00 H new ATOM 0 HB3 LEU A 90 7.733 -8.342 -26.368 1.00 1.00 H new ATOM 0 HG LEU A 90 5.783 -6.794 -26.193 1.00 1.00 H new ATOM 0 HD11 LEU A 90 3.810 -7.433 -24.831 1.00 1.00 H new ATOM 0 HD12 LEU A 90 3.975 -8.481 -26.260 1.00 1.00 H new ATOM 0 HD13 LEU A 90 4.463 -9.079 -24.657 1.00 1.00 H new ATOM 0 HD21 LEU A 90 5.844 -6.495 -23.715 1.00 1.00 H new ATOM 0 HD22 LEU A 90 6.534 -8.126 -23.539 1.00 1.00 H new ATOM 0 HD23 LEU A 90 7.465 -6.849 -24.358 1.00 1.00 H new ATOM 1397 N GLY A 91 7.004 -10.866 -29.129 1.00 1.00 N ATOM 1398 CA GLY A 91 7.966 -11.466 -30.053 1.00 1.00 C ATOM 1399 C GLY A 91 9.096 -12.134 -29.285 1.00 1.00 C ATOM 1400 O GLY A 91 10.208 -12.285 -29.793 1.00 1.00 O ATOM 0 H GLY A 91 6.156 -11.417 -28.994 1.00 1.00 H new ATOM 0 HA2 GLY A 91 7.464 -12.199 -30.684 1.00 1.00 H new ATOM 0 HA3 GLY A 91 8.371 -10.700 -30.714 1.00 1.00 H new ATOM 1404 N SER A 92 8.797 -12.540 -28.052 1.00 1.00 N ATOM 1405 CA SER A 92 9.785 -13.204 -27.203 1.00 1.00 C ATOM 1406 C SER A 92 10.144 -14.572 -27.800 1.00 1.00 C ATOM 1407 O SER A 92 10.257 -14.706 -29.017 1.00 1.00 O ATOM 1408 CB SER A 92 9.211 -13.361 -25.788 1.00 1.00 C ATOM 1409 OG SER A 92 8.146 -14.301 -25.815 1.00 1.00 O ATOM 0 H SER A 92 7.881 -12.421 -27.619 1.00 1.00 H new ATOM 0 HA SER A 92 10.693 -12.604 -27.150 1.00 1.00 H new ATOM 0 HB2 SER A 92 9.989 -13.696 -25.102 1.00 1.00 H new ATOM 0 HB3 SER A 92 8.853 -12.400 -25.419 1.00 1.00 H new ATOM 0 HG SER A 92 8.104 -14.773 -24.957 1.00 1.00 H new ATOM 1415 N CYS A 93 10.308 -15.590 -26.947 1.00 1.00 N ATOM 1416 CA CYS A 93 10.639 -16.940 -27.418 1.00 1.00 C ATOM 1417 C CYS A 93 10.468 -17.953 -26.287 1.00 1.00 C ATOM 1418 O CYS A 93 9.994 -19.068 -26.509 1.00 1.00 O ATOM 1419 CB CYS A 93 12.079 -16.977 -27.940 1.00 1.00 C ATOM 1420 SG CYS A 93 12.467 -18.639 -28.550 1.00 1.00 S ATOM 0 H CYS A 93 10.218 -15.506 -25.934 1.00 1.00 H new ATOM 0 HA CYS A 93 9.960 -17.202 -28.230 1.00 1.00 H new ATOM 0 HB2 CYS A 93 12.205 -16.247 -28.740 1.00 1.00 H new ATOM 0 HB3 CYS A 93 12.771 -16.701 -27.145 1.00 1.00 H new ATOM 0 HG CYS A 93 13.689 -18.664 -28.993 1.00 1.00 H new ATOM 1426 N GLY A 94 10.862 -17.552 -25.073 1.00 1.00 N ATOM 1427 CA GLY A 94 10.768 -18.409 -23.874 1.00 1.00 C ATOM 1428 C GLY A 94 10.164 -17.633 -22.708 1.00 1.00 C ATOM 1429 O GLY A 94 10.542 -17.837 -21.554 1.00 1.00 O ATOM 0 H GLY A 94 11.254 -16.629 -24.889 1.00 1.00 H new ATOM 0 HA2 GLY A 94 10.156 -19.284 -24.092 1.00 1.00 H new ATOM 0 HA3 GLY A 94 11.759 -18.773 -23.602 1.00 1.00 H new ATOM 1433 N TYR A 95 9.204 -16.757 -23.022 1.00 1.00 N ATOM 1434 CA TYR A 95 8.511 -15.947 -22.008 1.00 1.00 C ATOM 1435 C TYR A 95 7.153 -15.499 -22.550 1.00 1.00 C ATOM 1436 O TYR A 95 7.006 -15.237 -23.744 1.00 1.00 O ATOM 1437 CB TYR A 95 9.350 -14.711 -21.638 1.00 1.00 C ATOM 1438 CG TYR A 95 10.688 -15.160 -21.054 1.00 1.00 C ATOM 1439 CD1 TYR A 95 10.767 -15.559 -19.708 1.00 1.00 C ATOM 1440 CD2 TYR A 95 11.849 -15.185 -21.852 1.00 1.00 C ATOM 1441 CE1 TYR A 95 11.988 -15.982 -19.169 1.00 1.00 C ATOM 1442 CE2 TYR A 95 13.066 -15.609 -21.307 1.00 1.00 C ATOM 1443 CZ TYR A 95 13.136 -16.003 -19.967 1.00 1.00 C ATOM 1444 OH TYR A 95 14.339 -16.422 -19.434 1.00 1.00 O ATOM 0 H TYR A 95 8.886 -16.588 -23.976 1.00 1.00 H new ATOM 0 HA TYR A 95 8.368 -16.554 -21.114 1.00 1.00 H new ATOM 0 HB2 TYR A 95 9.515 -14.093 -22.521 1.00 1.00 H new ATOM 0 HB3 TYR A 95 8.813 -14.097 -20.915 1.00 1.00 H new ATOM 0 HD1 TYR A 95 9.883 -15.539 -19.088 1.00 1.00 H new ATOM 0 HD2 TYR A 95 11.799 -14.876 -22.886 1.00 1.00 H new ATOM 0 HE1 TYR A 95 12.043 -16.292 -18.136 1.00 1.00 H new ATOM 0 HE2 TYR A 95 13.953 -15.632 -21.922 1.00 1.00 H new ATOM 0 HH TYR A 95 15.035 -16.377 -20.122 1.00 1.00 H new ATOM 1454 N VAL A 96 6.164 -15.412 -21.655 1.00 1.00 N ATOM 1455 CA VAL A 96 4.798 -14.992 -22.008 1.00 1.00 C ATOM 1456 C VAL A 96 4.319 -13.977 -20.970 1.00 1.00 C ATOM 1457 O VAL A 96 4.501 -14.188 -19.771 1.00 1.00 O ATOM 1458 CB VAL A 96 3.868 -16.226 -22.021 1.00 1.00 C ATOM 1459 CG1 VAL A 96 2.453 -15.825 -22.479 1.00 1.00 C ATOM 1460 CG2 VAL A 96 4.437 -17.287 -22.980 1.00 1.00 C ATOM 0 H VAL A 96 6.284 -15.630 -20.666 1.00 1.00 H new ATOM 0 HA VAL A 96 4.784 -14.535 -22.998 1.00 1.00 H new ATOM 0 HB VAL A 96 3.809 -16.635 -21.012 1.00 1.00 H new ATOM 0 HG11 VAL A 96 1.809 -16.704 -22.483 1.00 1.00 H new ATOM 0 HG12 VAL A 96 2.046 -15.081 -21.794 1.00 1.00 H new ATOM 0 HG13 VAL A 96 2.501 -15.406 -23.484 1.00 1.00 H new ATOM 0 HG21 VAL A 96 3.781 -18.158 -22.990 1.00 1.00 H new ATOM 0 HG22 VAL A 96 4.503 -16.871 -23.985 1.00 1.00 H new ATOM 0 HG23 VAL A 96 5.431 -17.585 -22.645 1.00 1.00 H new ATOM 1470 N TYR A 97 3.707 -12.875 -21.434 1.00 1.00 N ATOM 1471 CA TYR A 97 3.195 -11.812 -20.539 1.00 1.00 C ATOM 1472 C TYR A 97 1.699 -11.621 -20.789 1.00 1.00 C ATOM 1473 O TYR A 97 1.276 -11.527 -21.943 1.00 1.00 O ATOM 1474 CB TYR A 97 3.960 -10.489 -20.822 1.00 1.00 C ATOM 1475 CG TYR A 97 5.457 -10.791 -20.905 1.00 1.00 C ATOM 1476 CD1 TYR A 97 6.144 -11.199 -19.752 1.00 1.00 C ATOM 1477 CD2 TYR A 97 6.157 -10.680 -22.125 1.00 1.00 C ATOM 1478 CE1 TYR A 97 7.511 -11.493 -19.815 1.00 1.00 C ATOM 1479 CE2 TYR A 97 7.522 -10.977 -22.181 1.00 1.00 C ATOM 1480 CZ TYR A 97 8.199 -11.382 -21.027 1.00 1.00 C ATOM 1481 OH TYR A 97 9.545 -11.677 -21.087 1.00 1.00 O ATOM 0 H TYR A 97 3.552 -12.692 -22.426 1.00 1.00 H new ATOM 0 HA TYR A 97 3.349 -12.095 -19.498 1.00 1.00 H new ATOM 0 HB2 TYR A 97 3.613 -10.045 -21.755 1.00 1.00 H new ATOM 0 HB3 TYR A 97 3.765 -9.764 -20.032 1.00 1.00 H new ATOM 0 HD1 TYR A 97 5.617 -11.286 -18.813 1.00 1.00 H new ATOM 0 HD2 TYR A 97 5.637 -10.365 -23.018 1.00 1.00 H new ATOM 0 HE1 TYR A 97 8.036 -11.807 -18.925 1.00 1.00 H new ATOM 0 HE2 TYR A 97 8.054 -10.893 -23.117 1.00 1.00 H new ATOM 0 HH TYR A 97 9.867 -11.549 -22.004 1.00 1.00 H new ATOM 1491 N ILE A 98 0.898 -11.559 -19.713 1.00 1.00 N ATOM 1492 CA ILE A 98 -0.564 -11.369 -19.837 1.00 1.00 C ATOM 1493 C ILE A 98 -1.062 -10.397 -18.777 1.00 1.00 C ATOM 1494 O ILE A 98 -0.408 -10.184 -17.755 1.00 1.00 O ATOM 1495 CB ILE A 98 -1.301 -12.728 -19.712 1.00 1.00 C ATOM 1496 CG1 ILE A 98 -0.991 -13.381 -18.337 1.00 1.00 C ATOM 1497 CG2 ILE A 98 -0.846 -13.665 -20.849 1.00 1.00 C ATOM 1498 CD1 ILE A 98 -1.797 -14.678 -18.158 1.00 1.00 C ATOM 0 H ILE A 98 1.231 -11.637 -18.752 1.00 1.00 H new ATOM 0 HA ILE A 98 -0.776 -10.951 -20.821 1.00 1.00 H new ATOM 0 HB ILE A 98 -2.375 -12.560 -19.786 1.00 1.00 H new ATOM 0 HG12 ILE A 98 0.075 -13.596 -18.263 1.00 1.00 H new ATOM 0 HG13 ILE A 98 -1.232 -12.683 -17.535 1.00 1.00 H new ATOM 0 HG21 ILE A 98 -1.363 -14.620 -20.762 1.00 1.00 H new ATOM 0 HG22 ILE A 98 -1.082 -13.211 -21.811 1.00 1.00 H new ATOM 0 HG23 ILE A 98 0.230 -13.827 -20.778 1.00 1.00 H new ATOM 0 HD11 ILE A 98 -1.565 -15.120 -17.189 1.00 1.00 H new ATOM 0 HD12 ILE A 98 -2.863 -14.454 -18.209 1.00 1.00 H new ATOM 0 HD13 ILE A 98 -1.535 -15.381 -18.949 1.00 1.00 H new ATOM 1510 N ALA A 99 -2.236 -9.819 -19.022 1.00 1.00 N ATOM 1511 CA ALA A 99 -2.848 -8.875 -18.084 1.00 1.00 C ATOM 1512 C ALA A 99 -4.372 -8.976 -18.173 1.00 1.00 C ATOM 1513 O ALA A 99 -4.966 -8.832 -19.243 1.00 1.00 O ATOM 1514 CB ALA A 99 -2.389 -7.446 -18.390 1.00 1.00 C ATOM 0 H ALA A 99 -2.786 -9.987 -19.865 1.00 1.00 H new ATOM 0 HA ALA A 99 -2.534 -9.126 -17.071 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -2.852 -6.756 -17.685 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -1.305 -7.385 -18.298 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -2.683 -7.179 -19.405 1.00 1.00 H new ATOM 1520 N VAL A 100 -4.993 -9.230 -17.014 1.00 1.00 N ATOM 1521 CA VAL A 100 -6.446 -9.367 -16.902 1.00 1.00 C ATOM 1522 C VAL A 100 -7.061 -8.031 -16.483 1.00 1.00 C ATOM 1523 O VAL A 100 -6.590 -7.379 -15.550 1.00 1.00 O ATOM 1524 CB VAL A 100 -6.782 -10.469 -15.866 1.00 1.00 C ATOM 1525 CG1 VAL A 100 -6.261 -10.090 -14.463 1.00 1.00 C ATOM 1526 CG2 VAL A 100 -8.307 -10.700 -15.801 1.00 1.00 C ATOM 0 H VAL A 100 -4.500 -9.346 -16.129 1.00 1.00 H new ATOM 0 HA VAL A 100 -6.863 -9.652 -17.868 1.00 1.00 H new ATOM 0 HB VAL A 100 -6.289 -11.387 -16.187 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -6.511 -10.881 -13.756 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -5.179 -9.964 -14.499 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -6.725 -9.157 -14.142 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -8.526 -11.477 -15.069 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -8.803 -9.775 -15.508 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -8.670 -11.012 -16.780 1.00 1.00 H new ATOM 1536 N TYR A 101 -8.110 -7.627 -17.202 1.00 1.00 N ATOM 1537 CA TYR A 101 -8.820 -6.371 -16.941 1.00 1.00 C ATOM 1538 C TYR A 101 -10.337 -6.637 -17.010 1.00 1.00 C ATOM 1539 O TYR A 101 -10.854 -6.815 -18.113 1.00 1.00 O ATOM 1540 CB TYR A 101 -8.431 -5.338 -18.016 1.00 1.00 C ATOM 1541 CG TYR A 101 -9.098 -4.004 -17.691 1.00 1.00 C ATOM 1542 CD1 TYR A 101 -8.496 -3.131 -16.772 1.00 1.00 C ATOM 1543 CD2 TYR A 101 -10.330 -3.659 -18.274 1.00 1.00 C ATOM 1544 CE1 TYR A 101 -9.121 -1.926 -16.435 1.00 1.00 C ATOM 1545 CE2 TYR A 101 -10.949 -2.449 -17.940 1.00 1.00 C ATOM 1546 CZ TYR A 101 -10.346 -1.585 -17.020 1.00 1.00 C ATOM 1547 OH TYR A 101 -10.964 -0.399 -16.677 1.00 1.00 O ATOM 0 H TYR A 101 -8.492 -8.161 -17.982 1.00 1.00 H new ATOM 0 HA TYR A 101 -8.555 -5.987 -15.956 1.00 1.00 H new ATOM 0 HB2 TYR A 101 -7.348 -5.219 -18.049 1.00 1.00 H new ATOM 0 HB3 TYR A 101 -8.743 -5.685 -19.001 1.00 1.00 H new ATOM 0 HD1 TYR A 101 -7.548 -3.390 -16.324 1.00 1.00 H new ATOM 0 HD2 TYR A 101 -10.799 -4.328 -18.980 1.00 1.00 H new ATOM 0 HE1 TYR A 101 -8.658 -1.258 -15.723 1.00 1.00 H new ATOM 0 HE2 TYR A 101 -11.893 -2.182 -18.393 1.00 1.00 H new ATOM 0 HH TYR A 101 -11.805 -0.313 -17.173 1.00 1.00 H new ATOM 1557 N PRO A 102 -11.079 -6.701 -15.903 1.00 1.00 N ATOM 1558 CA PRO A 102 -12.547 -6.992 -15.985 1.00 1.00 C ATOM 1559 C PRO A 102 -13.318 -5.816 -16.598 1.00 1.00 C ATOM 1560 O PRO A 102 -13.010 -4.653 -16.337 1.00 1.00 O ATOM 1561 CB PRO A 102 -12.944 -7.285 -14.516 1.00 1.00 C ATOM 1562 CG PRO A 102 -11.993 -6.448 -13.712 1.00 1.00 C ATOM 1563 CD PRO A 102 -10.655 -6.504 -14.484 1.00 1.00 C ATOM 0 HA PRO A 102 -12.787 -7.830 -16.640 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -13.981 -7.012 -14.320 1.00 1.00 H new ATOM 0 HB3 PRO A 102 -12.843 -8.344 -14.278 1.00 1.00 H new ATOM 0 HG2 PRO A 102 -12.352 -5.423 -13.619 1.00 1.00 H new ATOM 0 HG3 PRO A 102 -11.881 -6.840 -12.701 1.00 1.00 H new ATOM 0 HD2 PRO A 102 -10.082 -5.585 -14.360 1.00 1.00 H new ATOM 0 HD3 PRO A 102 -10.025 -7.322 -14.136 1.00 1.00 H new ATOM 1571 N THR A 103 -14.328 -6.142 -17.413 1.00 1.00 N ATOM 1572 CA THR A 103 -15.169 -5.138 -18.077 1.00 1.00 C ATOM 1573 C THR A 103 -16.373 -4.808 -17.199 1.00 1.00 C ATOM 1574 O THR A 103 -16.884 -5.672 -16.487 1.00 1.00 O ATOM 1575 CB THR A 103 -15.660 -5.690 -19.424 1.00 1.00 C ATOM 1576 OG1 THR A 103 -16.460 -6.841 -19.195 1.00 1.00 O ATOM 1577 CG2 THR A 103 -14.462 -6.069 -20.301 1.00 1.00 C ATOM 0 H THR A 103 -14.585 -7.105 -17.630 1.00 1.00 H new ATOM 0 HA THR A 103 -14.583 -4.234 -18.242 1.00 1.00 H new ATOM 0 HB THR A 103 -16.248 -4.927 -19.933 1.00 1.00 H new ATOM 0 HG1 THR A 103 -16.777 -7.195 -20.052 1.00 1.00 H new ATOM 0 HG21 THR A 103 -14.818 -6.460 -21.254 1.00 1.00 H new ATOM 0 HG22 THR A 103 -13.847 -5.187 -20.477 1.00 1.00 H new ATOM 0 HG23 THR A 103 -13.868 -6.831 -19.796 1.00 1.00 H new ATOM 1585 N GLN A 104 -16.828 -3.554 -17.249 1.00 1.00 N ATOM 1586 CA GLN A 104 -17.978 -3.130 -16.446 1.00 1.00 C ATOM 1587 C GLN A 104 -19.256 -3.793 -16.961 1.00 1.00 C ATOM 1588 O GLN A 104 -20.041 -3.173 -17.681 1.00 1.00 O ATOM 1589 CB GLN A 104 -18.110 -1.595 -16.506 1.00 1.00 C ATOM 1590 CG GLN A 104 -19.213 -1.106 -15.548 1.00 1.00 C ATOM 1591 CD GLN A 104 -19.306 0.418 -15.579 1.00 1.00 C ATOM 1592 OE1 GLN A 104 -18.371 1.093 -16.012 1.00 1.00 O ATOM 1593 NE2 GLN A 104 -20.388 1.004 -15.141 1.00 1.00 N ATOM 0 H GLN A 104 -16.423 -2.821 -17.831 1.00 1.00 H new ATOM 0 HA GLN A 104 -17.825 -3.435 -15.411 1.00 1.00 H new ATOM 0 HB2 GLN A 104 -17.159 -1.133 -16.240 1.00 1.00 H new ATOM 0 HB3 GLN A 104 -18.342 -1.284 -17.525 1.00 1.00 H new ATOM 0 HG2 GLN A 104 -20.171 -1.541 -15.833 1.00 1.00 H new ATOM 0 HG3 GLN A 104 -18.999 -1.443 -14.534 1.00 1.00 H new ATOM 0 HE21 GLN A 104 -21.162 0.444 -14.783 1.00 1.00 H new ATOM 0 HE22 GLN A 104 -20.459 2.021 -15.157 1.00 1.00 H new