USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 451 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 48 THR OG1 : rot 171:sc= 0.593 USER MOD Set 1.2: A 50 THR OG1 : rot 71:sc= 0.649 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.928 K(o=2.2,f=-2.4!) USER MOD Set 2.2: A 33 TYR OH : rot -67:sc= 1.26 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -160:sc= 0.282 (180deg=0) USER MOD Set 3.2: A 51 HIS : no HE2:sc= -2.09! C(o=-1.8!,f=-3.9!) USER MOD Single : A 1 ASP N :NH3+ -174:sc= 0.074 (180deg=-0.00112) USER MOD Single : A 2 SER OG : rot -119:sc= -3.36! USER MOD Single : A 4 MET CE :methyl -154:sc= -0.475 (180deg=-2.42!) USER MOD Single : A 8 TYR OH : rot 15:sc= -2.95 USER MOD Single : A 16 TYR OH : rot -14:sc= -2.25! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0325) USER MOD Single : A 32 THR OG1 : rot 170:sc= -0.123 USER MOD Single : A 34 ASN : amide:sc= -0.445 X(o=-0.45,f=-0.79) USER MOD Single : A 35 ASN : amide:sc= -6.92! C(o=-6.9!,f=-20!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -0.065 K(o=-0.065,f=-1.1) USER MOD Single : A 43 ASN : amide:sc= -6.37! C(o=-6.4!,f=-6.1!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 49 ASN : amide:sc= -0.0282 K(o=-0.028,f=-1.5!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.458 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -122:sc= -1.09 (180deg=-2.34) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 0.347 -29.622 0.553 1.00 0.00 N ATOM 2 CA ASP A 1 0.485 -28.299 1.224 1.00 0.00 C ATOM 3 C ASP A 1 1.960 -28.025 1.511 1.00 0.00 C ATOM 4 O ASP A 1 2.805 -28.882 1.346 1.00 0.00 O ATOM 5 CB ASP A 1 -0.291 -28.312 2.542 1.00 0.00 C ATOM 6 CG ASP A 1 -1.776 -28.556 2.257 1.00 0.00 C ATOM 7 OD1 ASP A 1 -2.176 -28.387 1.117 1.00 0.00 O ATOM 8 OD2 ASP A 1 -2.485 -28.909 3.185 1.00 0.00 O ATOM 0 H1 ASP A 1 -0.642 -29.764 0.266 1.00 0.00 H new ATOM 0 H2 ASP A 1 0.959 -29.650 -0.288 1.00 0.00 H new ATOM 0 H3 ASP A 1 0.628 -30.376 1.211 1.00 0.00 H new ATOM 0 HA ASP A 1 0.088 -27.520 0.573 1.00 0.00 H new ATOM 0 HB2 ASP A 1 0.097 -29.091 3.198 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -0.161 -27.363 3.063 1.00 0.00 H new ATOM 15 N SER A 2 2.275 -26.836 1.945 1.00 0.00 N ATOM 16 CA SER A 2 3.696 -26.510 2.248 1.00 0.00 C ATOM 17 C SER A 2 4.317 -27.652 3.052 1.00 0.00 C ATOM 18 O SER A 2 5.504 -27.904 2.978 1.00 0.00 O ATOM 19 CB SER A 2 3.757 -25.221 3.068 1.00 0.00 C ATOM 20 OG SER A 2 3.681 -24.098 2.200 1.00 0.00 O ATOM 0 H SER A 2 1.611 -26.078 2.103 1.00 0.00 H new ATOM 0 HA SER A 2 4.247 -26.377 1.317 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.936 -25.195 3.785 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.683 -25.187 3.642 1.00 0.00 H new ATOM 0 HG SER A 2 4.496 -23.561 2.288 1.00 0.00 H new ATOM 26 N GLU A 3 3.524 -28.351 3.817 1.00 0.00 N ATOM 27 CA GLU A 3 4.069 -29.480 4.619 1.00 0.00 C ATOM 28 C GLU A 3 4.864 -30.397 3.697 1.00 0.00 C ATOM 29 O GLU A 3 5.796 -31.058 4.109 1.00 0.00 O ATOM 30 CB GLU A 3 2.918 -30.265 5.252 1.00 0.00 C ATOM 31 CG GLU A 3 2.668 -29.753 6.673 1.00 0.00 C ATOM 32 CD GLU A 3 1.568 -30.590 7.328 1.00 0.00 C ATOM 33 OE1 GLU A 3 1.358 -31.707 6.886 1.00 0.00 O ATOM 34 OE2 GLU A 3 0.952 -30.098 8.260 1.00 0.00 O ATOM 0 H GLU A 3 2.522 -28.188 3.921 1.00 0.00 H new ATOM 0 HA GLU A 3 4.714 -29.095 5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.015 -30.155 4.651 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.158 -31.328 5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.585 -29.814 7.260 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.375 -28.703 6.647 1.00 0.00 H new ATOM 41 N MET A 4 4.507 -30.433 2.443 1.00 0.00 N ATOM 42 CA MET A 4 5.246 -31.296 1.483 1.00 0.00 C ATOM 43 C MET A 4 6.540 -30.591 1.087 1.00 0.00 C ATOM 44 O MET A 4 7.541 -31.216 0.796 1.00 0.00 O ATOM 45 CB MET A 4 4.390 -31.533 0.237 1.00 0.00 C ATOM 46 CG MET A 4 3.069 -32.187 0.646 1.00 0.00 C ATOM 47 SD MET A 4 3.396 -33.822 1.353 1.00 0.00 S ATOM 48 CE MET A 4 4.339 -34.492 -0.040 1.00 0.00 C ATOM 0 H MET A 4 3.734 -29.901 2.042 1.00 0.00 H new ATOM 0 HA MET A 4 5.471 -32.256 1.947 1.00 0.00 H new ATOM 0 HB2 MET A 4 4.199 -30.588 -0.272 1.00 0.00 H new ATOM 0 HB3 MET A 4 4.922 -32.172 -0.467 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.552 -31.562 1.374 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.413 -32.278 -0.220 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.254 -35.579 -0.048 1.00 0.00 H new ATOM 0 HE2 MET A 4 3.945 -34.090 -0.973 1.00 0.00 H new ATOM 0 HE3 MET A 4 5.387 -34.211 0.062 1.00 0.00 H new ATOM 58 N CYS A 5 6.525 -29.287 1.081 1.00 0.00 N ATOM 59 CA CYS A 5 7.750 -28.526 0.714 1.00 0.00 C ATOM 60 C CYS A 5 8.646 -28.389 1.948 1.00 0.00 C ATOM 61 O CYS A 5 9.703 -27.794 1.897 1.00 0.00 O ATOM 62 CB CYS A 5 7.357 -27.133 0.211 1.00 0.00 C ATOM 63 SG CYS A 5 5.778 -27.221 -0.674 1.00 0.00 S ATOM 0 H CYS A 5 5.714 -28.715 1.315 1.00 0.00 H new ATOM 0 HA CYS A 5 8.287 -29.055 -0.073 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.275 -26.443 1.051 1.00 0.00 H new ATOM 0 HB3 CYS A 5 8.132 -26.743 -0.448 1.00 0.00 H new ATOM 68 N LYS A 6 8.232 -28.936 3.060 1.00 0.00 N ATOM 69 CA LYS A 6 9.066 -28.833 4.290 1.00 0.00 C ATOM 70 C LYS A 6 10.413 -29.514 4.047 1.00 0.00 C ATOM 71 O LYS A 6 11.422 -29.137 4.608 1.00 0.00 O ATOM 72 CB LYS A 6 8.349 -29.522 5.453 1.00 0.00 C ATOM 73 CG LYS A 6 7.426 -28.519 6.144 1.00 0.00 C ATOM 74 CD LYS A 6 7.067 -29.033 7.540 1.00 0.00 C ATOM 75 CE LYS A 6 5.775 -28.362 8.014 1.00 0.00 C ATOM 76 NZ LYS A 6 6.090 -27.385 9.094 1.00 0.00 N ATOM 0 H LYS A 6 7.356 -29.447 3.169 1.00 0.00 H new ATOM 0 HA LYS A 6 9.226 -27.783 4.534 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.773 -30.372 5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.077 -29.913 6.164 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.916 -27.548 6.217 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.521 -28.375 5.554 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.941 -30.115 7.519 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.877 -28.820 8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.289 -27.855 7.181 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.076 -29.113 8.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.229 -27.184 9.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.815 -27.785 9.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.446 -26.504 8.672 1.00 0.00 H new ATOM 90 N ASP A 7 10.436 -30.517 3.213 1.00 0.00 N ATOM 91 CA ASP A 7 11.718 -31.223 2.935 1.00 0.00 C ATOM 92 C ASP A 7 11.723 -31.733 1.491 1.00 0.00 C ATOM 93 O ASP A 7 11.691 -32.923 1.243 1.00 0.00 O ATOM 94 CB ASP A 7 11.868 -32.404 3.895 1.00 0.00 C ATOM 95 CG ASP A 7 12.162 -31.883 5.304 1.00 0.00 C ATOM 96 OD1 ASP A 7 12.816 -30.858 5.411 1.00 0.00 O ATOM 97 OD2 ASP A 7 11.729 -32.517 6.252 1.00 0.00 O ATOM 0 H ASP A 7 9.624 -30.878 2.713 1.00 0.00 H new ATOM 0 HA ASP A 7 12.549 -30.532 3.076 1.00 0.00 H new ATOM 0 HB2 ASP A 7 10.956 -33.001 3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 7 12.675 -33.057 3.562 1.00 0.00 H new ATOM 102 N TYR A 8 11.768 -30.843 0.537 1.00 0.00 N ATOM 103 CA TYR A 8 11.781 -31.277 -0.891 1.00 0.00 C ATOM 104 C TYR A 8 13.064 -30.776 -1.560 1.00 0.00 C ATOM 105 O TYR A 8 13.955 -30.265 -0.911 1.00 0.00 O ATOM 106 CB TYR A 8 10.561 -30.703 -1.619 1.00 0.00 C ATOM 107 CG TYR A 8 10.760 -29.224 -1.861 1.00 0.00 C ATOM 108 CD1 TYR A 8 10.694 -28.327 -0.791 1.00 0.00 C ATOM 109 CD2 TYR A 8 11.012 -28.752 -3.155 1.00 0.00 C ATOM 110 CE1 TYR A 8 10.879 -26.958 -1.012 1.00 0.00 C ATOM 111 CE2 TYR A 8 11.197 -27.383 -3.377 1.00 0.00 C ATOM 112 CZ TYR A 8 11.131 -26.485 -2.305 1.00 0.00 C ATOM 113 OH TYR A 8 11.314 -25.135 -2.523 1.00 0.00 O ATOM 0 H TYR A 8 11.796 -29.834 0.684 1.00 0.00 H new ATOM 0 HA TYR A 8 11.745 -32.365 -0.940 1.00 0.00 H new ATOM 0 HB2 TYR A 8 10.415 -31.220 -2.567 1.00 0.00 H new ATOM 0 HB3 TYR A 8 9.661 -30.866 -1.025 1.00 0.00 H new ATOM 0 HD1 TYR A 8 10.500 -28.691 0.207 1.00 0.00 H new ATOM 0 HD2 TYR A 8 11.064 -29.445 -3.982 1.00 0.00 H new ATOM 0 HE1 TYR A 8 10.827 -26.266 -0.185 1.00 0.00 H new ATOM 0 HE2 TYR A 8 11.391 -27.019 -4.375 1.00 0.00 H new ATOM 0 HH TYR A 8 11.474 -24.684 -1.668 1.00 0.00 H new ATOM 123 N ARG A 9 13.168 -30.918 -2.853 1.00 0.00 N ATOM 124 CA ARG A 9 14.398 -30.448 -3.554 1.00 0.00 C ATOM 125 C ARG A 9 14.066 -30.108 -5.009 1.00 0.00 C ATOM 126 O ARG A 9 13.317 -30.804 -5.666 1.00 0.00 O ATOM 127 CB ARG A 9 15.455 -31.553 -3.518 1.00 0.00 C ATOM 128 CG ARG A 9 16.111 -31.586 -2.136 1.00 0.00 C ATOM 129 CD ARG A 9 17.336 -32.502 -2.176 1.00 0.00 C ATOM 130 NE ARG A 9 16.969 -33.792 -2.825 1.00 0.00 N ATOM 131 CZ ARG A 9 17.902 -34.578 -3.291 1.00 0.00 C ATOM 132 NH1 ARG A 9 18.239 -34.516 -4.550 1.00 0.00 N ATOM 133 NH2 ARG A 9 18.497 -35.426 -2.498 1.00 0.00 N ATOM 0 H ARG A 9 12.458 -31.337 -3.453 1.00 0.00 H new ATOM 0 HA ARG A 9 14.781 -29.558 -3.055 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.996 -32.517 -3.738 1.00 0.00 H new ATOM 0 HB3 ARG A 9 16.208 -31.376 -4.286 1.00 0.00 H new ATOM 0 HG2 ARG A 9 16.405 -30.580 -1.837 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.399 -31.944 -1.392 1.00 0.00 H new ATOM 0 HD2 ARG A 9 18.145 -32.022 -2.727 1.00 0.00 H new ATOM 0 HD3 ARG A 9 17.702 -32.682 -1.165 1.00 0.00 H new ATOM 0 HE ARG A 9 15.988 -34.061 -2.905 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.774 -33.853 -5.170 1.00 0.00 H new ATOM 0 HH12 ARG A 9 18.968 -35.130 -4.914 1.00 0.00 H new ATOM 0 HH21 ARG A 9 18.233 -35.475 -1.514 1.00 0.00 H new ATOM 0 HH22 ARG A 9 19.226 -36.040 -2.862 1.00 0.00 H new ATOM 147 N VAL A 10 14.622 -29.043 -5.521 1.00 0.00 N ATOM 148 CA VAL A 10 14.341 -28.660 -6.934 1.00 0.00 C ATOM 149 C VAL A 10 15.654 -28.336 -7.649 1.00 0.00 C ATOM 150 O VAL A 10 16.525 -27.687 -7.104 1.00 0.00 O ATOM 151 CB VAL A 10 13.433 -27.430 -6.958 1.00 0.00 C ATOM 152 CG1 VAL A 10 13.340 -26.894 -8.389 1.00 0.00 C ATOM 153 CG2 VAL A 10 12.037 -27.816 -6.469 1.00 0.00 C ATOM 0 H VAL A 10 15.259 -28.422 -5.022 1.00 0.00 H new ATOM 0 HA VAL A 10 13.847 -29.489 -7.441 1.00 0.00 H new ATOM 0 HB VAL A 10 13.847 -26.661 -6.306 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.693 -26.017 -8.408 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.335 -26.619 -8.740 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.926 -27.664 -9.040 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.390 -26.939 -6.486 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.623 -28.585 -7.121 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.101 -28.199 -5.451 1.00 0.00 H new ATOM 163 N LEU A 11 15.800 -28.781 -8.866 1.00 0.00 N ATOM 164 CA LEU A 11 17.055 -28.499 -9.618 1.00 0.00 C ATOM 165 C LEU A 11 16.744 -27.559 -10.786 1.00 0.00 C ATOM 166 O LEU A 11 15.602 -27.240 -11.049 1.00 0.00 O ATOM 167 CB LEU A 11 17.632 -29.812 -10.153 1.00 0.00 C ATOM 168 CG LEU A 11 18.881 -30.184 -9.352 1.00 0.00 C ATOM 169 CD1 LEU A 11 18.514 -31.214 -8.282 1.00 0.00 C ATOM 170 CD2 LEU A 11 19.932 -30.778 -10.291 1.00 0.00 C ATOM 0 H LEU A 11 15.104 -29.328 -9.373 1.00 0.00 H new ATOM 0 HA LEU A 11 17.782 -28.028 -8.957 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.889 -30.606 -10.078 1.00 0.00 H new ATOM 0 HB3 LEU A 11 17.882 -29.708 -11.209 1.00 0.00 H new ATOM 0 HG LEU A 11 19.284 -29.291 -8.874 1.00 0.00 H new ATOM 0 HD11 LEU A 11 19.404 -31.479 -7.711 1.00 0.00 H new ATOM 0 HD12 LEU A 11 17.766 -30.791 -7.612 1.00 0.00 H new ATOM 0 HD13 LEU A 11 18.110 -32.107 -8.760 1.00 0.00 H new ATOM 0 HD21 LEU A 11 20.822 -31.043 -9.720 1.00 0.00 H new ATOM 0 HD22 LEU A 11 19.529 -31.670 -10.770 1.00 0.00 H new ATOM 0 HD23 LEU A 11 20.195 -30.045 -11.053 1.00 0.00 H new ATOM 182 N PRO A 12 17.786 -27.109 -11.501 1.00 0.00 N ATOM 183 CA PRO A 12 17.629 -26.204 -12.647 1.00 0.00 C ATOM 184 C PRO A 12 16.933 -26.892 -13.824 1.00 0.00 C ATOM 185 O PRO A 12 16.324 -26.250 -14.658 1.00 0.00 O ATOM 186 CB PRO A 12 19.070 -25.849 -13.020 1.00 0.00 C ATOM 187 CG PRO A 12 19.878 -26.993 -12.511 1.00 0.00 C ATOM 188 CD PRO A 12 19.198 -27.448 -11.251 1.00 0.00 C ATOM 0 HA PRO A 12 17.012 -25.338 -12.406 1.00 0.00 H new ATOM 0 HB2 PRO A 12 19.184 -25.731 -14.098 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.379 -24.909 -12.562 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.921 -27.798 -13.245 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.905 -26.688 -12.312 1.00 0.00 H new ATOM 0 HD2 PRO A 12 19.334 -28.516 -11.081 1.00 0.00 H new ATOM 0 HD3 PRO A 12 19.588 -26.934 -10.373 1.00 0.00 H new ATOM 196 N ARG A 13 17.014 -28.192 -13.895 1.00 0.00 N ATOM 197 CA ARG A 13 16.354 -28.920 -15.014 1.00 0.00 C ATOM 198 C ARG A 13 14.989 -29.434 -14.553 1.00 0.00 C ATOM 199 O ARG A 13 14.084 -29.617 -15.344 1.00 0.00 O ATOM 200 CB ARG A 13 17.225 -30.106 -15.436 1.00 0.00 C ATOM 201 CG ARG A 13 18.541 -29.595 -16.025 1.00 0.00 C ATOM 202 CD ARG A 13 19.411 -30.786 -16.430 1.00 0.00 C ATOM 203 NE ARG A 13 20.778 -30.308 -16.783 1.00 0.00 N ATOM 204 CZ ARG A 13 21.782 -30.559 -15.988 1.00 0.00 C ATOM 205 NH1 ARG A 13 21.576 -30.737 -14.712 1.00 0.00 N ATOM 206 NH2 ARG A 13 22.992 -30.635 -16.470 1.00 0.00 N ATOM 0 H ARG A 13 17.509 -28.782 -13.226 1.00 0.00 H new ATOM 0 HA ARG A 13 16.224 -28.244 -15.859 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.424 -30.747 -14.577 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.698 -30.713 -16.172 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.344 -28.963 -16.891 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.065 -28.979 -15.294 1.00 0.00 H new ATOM 0 HD2 ARG A 13 19.466 -31.504 -15.612 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.965 -31.303 -17.279 1.00 0.00 H new ATOM 0 HE ARG A 13 20.929 -29.785 -17.646 1.00 0.00 H new ATOM 0 HH11 ARG A 13 20.630 -30.680 -14.335 1.00 0.00 H new ATOM 0 HH12 ARG A 13 22.361 -30.933 -14.091 1.00 0.00 H new ATOM 0 HH21 ARG A 13 23.153 -30.498 -17.468 1.00 0.00 H new ATOM 0 HH22 ARG A 13 23.777 -30.831 -15.849 1.00 0.00 H new ATOM 220 N ILE A 14 14.834 -29.671 -13.279 1.00 0.00 N ATOM 221 CA ILE A 14 13.528 -30.177 -12.769 1.00 0.00 C ATOM 222 C ILE A 14 12.594 -28.996 -12.492 1.00 0.00 C ATOM 223 O ILE A 14 11.447 -28.993 -12.895 1.00 0.00 O ATOM 224 CB ILE A 14 13.757 -30.960 -11.474 1.00 0.00 C ATOM 225 CG1 ILE A 14 14.654 -32.168 -11.759 1.00 0.00 C ATOM 226 CG2 ILE A 14 12.414 -31.443 -10.923 1.00 0.00 C ATOM 227 CD1 ILE A 14 14.142 -32.906 -12.997 1.00 0.00 C ATOM 0 H ILE A 14 15.555 -29.536 -12.570 1.00 0.00 H new ATOM 0 HA ILE A 14 13.075 -30.830 -13.515 1.00 0.00 H new ATOM 0 HB ILE A 14 14.239 -30.313 -10.741 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.682 -31.841 -11.917 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.661 -32.839 -10.900 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.578 -32.000 -10.001 1.00 0.00 H new ATOM 0 HG22 ILE A 14 11.774 -30.584 -10.719 1.00 0.00 H new ATOM 0 HG23 ILE A 14 11.931 -32.089 -11.656 1.00 0.00 H new ATOM 0 HD11 ILE A 14 14.781 -33.765 -13.199 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.121 -33.246 -12.822 1.00 0.00 H new ATOM 0 HD13 ILE A 14 14.158 -32.233 -13.854 1.00 0.00 H new ATOM 239 N GLY A 15 13.074 -27.996 -11.806 1.00 0.00 N ATOM 240 CA GLY A 15 12.212 -26.820 -11.503 1.00 0.00 C ATOM 241 C GLY A 15 11.168 -27.215 -10.458 1.00 0.00 C ATOM 242 O GLY A 15 11.296 -28.220 -9.788 1.00 0.00 O ATOM 0 H GLY A 15 14.025 -27.943 -11.442 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.820 -25.995 -11.133 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.720 -26.471 -12.411 1.00 0.00 H new ATOM 246 N TYR A 16 10.131 -26.434 -10.316 1.00 0.00 N ATOM 247 CA TYR A 16 9.081 -26.772 -9.314 1.00 0.00 C ATOM 248 C TYR A 16 7.872 -27.377 -10.032 1.00 0.00 C ATOM 249 O TYR A 16 7.596 -27.067 -11.174 1.00 0.00 O ATOM 250 CB TYR A 16 8.657 -25.505 -8.572 1.00 0.00 C ATOM 251 CG TYR A 16 8.431 -25.833 -7.115 1.00 0.00 C ATOM 252 CD1 TYR A 16 7.255 -26.480 -6.719 1.00 0.00 C ATOM 253 CD2 TYR A 16 9.399 -25.492 -6.162 1.00 0.00 C ATOM 254 CE1 TYR A 16 7.045 -26.787 -5.369 1.00 0.00 C ATOM 255 CE2 TYR A 16 9.189 -25.800 -4.812 1.00 0.00 C ATOM 256 CZ TYR A 16 8.012 -26.447 -4.417 1.00 0.00 C ATOM 257 OH TYR A 16 7.807 -26.751 -3.086 1.00 0.00 O ATOM 0 H TYR A 16 9.966 -25.580 -10.849 1.00 0.00 H new ATOM 0 HA TYR A 16 9.477 -27.493 -8.598 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.426 -24.738 -8.669 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.745 -25.100 -9.011 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.509 -26.743 -7.455 1.00 0.00 H new ATOM 0 HD2 TYR A 16 10.306 -24.992 -6.468 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.137 -27.286 -5.063 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.935 -25.538 -4.076 1.00 0.00 H new ATOM 0 HH TYR A 16 6.867 -26.990 -2.946 1.00 0.00 H new ATOM 267 N LEU A 17 7.150 -28.242 -9.372 1.00 0.00 N ATOM 268 CA LEU A 17 5.963 -28.869 -10.020 1.00 0.00 C ATOM 269 C LEU A 17 4.690 -28.471 -9.267 1.00 0.00 C ATOM 270 O LEU A 17 4.425 -28.944 -8.180 1.00 0.00 O ATOM 271 CB LEU A 17 6.119 -30.391 -9.993 1.00 0.00 C ATOM 272 CG LEU A 17 4.899 -31.044 -10.648 1.00 0.00 C ATOM 273 CD1 LEU A 17 5.026 -30.952 -12.170 1.00 0.00 C ATOM 274 CD2 LEU A 17 4.824 -32.514 -10.230 1.00 0.00 C ATOM 0 H LEU A 17 7.331 -28.541 -8.414 1.00 0.00 H new ATOM 0 HA LEU A 17 5.890 -28.526 -11.052 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.027 -30.683 -10.520 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.222 -30.738 -8.965 1.00 0.00 H new ATOM 0 HG LEU A 17 3.994 -30.528 -10.328 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.157 -31.417 -12.636 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.081 -29.905 -12.468 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.930 -31.469 -12.492 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.956 -32.981 -10.695 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.729 -33.030 -10.551 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.734 -32.580 -9.146 1.00 0.00 H new ATOM 286 N CYS A 18 3.896 -27.608 -9.843 1.00 0.00 N ATOM 287 CA CYS A 18 2.637 -27.181 -9.169 1.00 0.00 C ATOM 288 C CYS A 18 1.446 -27.528 -10.065 1.00 0.00 C ATOM 289 O CYS A 18 1.578 -27.651 -11.267 1.00 0.00 O ATOM 290 CB CYS A 18 2.669 -25.671 -8.932 1.00 0.00 C ATOM 291 SG CYS A 18 4.140 -25.239 -7.969 1.00 0.00 S ATOM 0 H CYS A 18 4.066 -27.180 -10.753 1.00 0.00 H new ATOM 0 HA CYS A 18 2.542 -27.695 -8.213 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.678 -25.143 -9.886 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.770 -25.357 -8.402 1.00 0.00 H new ATOM 296 N PRO A 19 0.261 -27.686 -9.462 1.00 0.00 N ATOM 297 CA PRO A 19 -0.963 -28.017 -10.201 1.00 0.00 C ATOM 298 C PRO A 19 -1.465 -26.827 -11.023 1.00 0.00 C ATOM 299 O PRO A 19 -1.026 -25.708 -10.847 1.00 0.00 O ATOM 300 CB PRO A 19 -1.966 -28.358 -9.101 1.00 0.00 C ATOM 301 CG PRO A 19 -1.475 -27.628 -7.896 1.00 0.00 C ATOM 302 CD PRO A 19 0.023 -27.554 -8.016 1.00 0.00 C ATOM 0 HA PRO A 19 -0.807 -28.826 -10.914 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.973 -28.041 -9.372 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.007 -29.433 -8.923 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.909 -26.629 -7.845 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.765 -28.149 -6.983 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.410 -26.611 -7.630 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.510 -28.352 -7.455 1.00 0.00 H new ATOM 310 N LYS A 20 -2.379 -27.062 -11.925 1.00 0.00 N ATOM 311 CA LYS A 20 -2.902 -25.945 -12.761 1.00 0.00 C ATOM 312 C LYS A 20 -4.109 -25.306 -12.070 1.00 0.00 C ATOM 313 O LYS A 20 -4.543 -24.229 -12.430 1.00 0.00 O ATOM 314 CB LYS A 20 -3.320 -26.487 -14.128 1.00 0.00 C ATOM 315 CG LYS A 20 -2.079 -26.965 -14.883 1.00 0.00 C ATOM 316 CD LYS A 20 -2.461 -27.326 -16.320 1.00 0.00 C ATOM 317 CE LYS A 20 -1.241 -27.900 -17.043 1.00 0.00 C ATOM 318 NZ LYS A 20 -1.636 -28.351 -18.407 1.00 0.00 N ATOM 0 H LYS A 20 -2.785 -27.977 -12.119 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.124 -25.193 -12.891 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.025 -27.309 -14.006 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.831 -25.712 -14.699 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.318 -26.185 -14.883 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.647 -27.831 -14.382 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.273 -28.053 -16.320 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.825 -26.442 -16.844 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.457 -27.145 -17.111 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.830 -28.736 -16.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.806 -28.741 -18.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.370 -29.084 -18.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.008 -27.543 -18.946 1.00 0.00 H new ATOM 332 N ASP A 21 -4.654 -25.956 -11.079 1.00 0.00 N ATOM 333 CA ASP A 21 -5.829 -25.379 -10.367 1.00 0.00 C ATOM 334 C ASP A 21 -5.370 -24.199 -9.509 1.00 0.00 C ATOM 335 O ASP A 21 -4.498 -24.332 -8.674 1.00 0.00 O ATOM 336 CB ASP A 21 -6.458 -26.446 -9.470 1.00 0.00 C ATOM 337 CG ASP A 21 -7.803 -25.941 -8.945 1.00 0.00 C ATOM 338 OD1 ASP A 21 -8.194 -24.850 -9.326 1.00 0.00 O ATOM 339 OD2 ASP A 21 -8.420 -26.653 -8.171 1.00 0.00 O ATOM 0 H ASP A 21 -4.337 -26.861 -10.732 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.565 -25.038 -11.095 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.598 -27.371 -10.030 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.793 -26.675 -8.637 1.00 0.00 H new ATOM 344 N LEU A 22 -5.947 -23.046 -9.705 1.00 0.00 N ATOM 345 CA LEU A 22 -5.536 -21.865 -8.895 1.00 0.00 C ATOM 346 C LEU A 22 -6.213 -21.921 -7.526 1.00 0.00 C ATOM 347 O LEU A 22 -7.423 -21.939 -7.422 1.00 0.00 O ATOM 348 CB LEU A 22 -5.950 -20.579 -9.612 1.00 0.00 C ATOM 349 CG LEU A 22 -5.581 -19.375 -8.743 1.00 0.00 C ATOM 350 CD1 LEU A 22 -4.086 -19.419 -8.419 1.00 0.00 C ATOM 351 CD2 LEU A 22 -5.901 -18.082 -9.495 1.00 0.00 C ATOM 0 H LEU A 22 -6.683 -22.871 -10.389 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.454 -21.878 -8.767 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.451 -20.511 -10.579 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.022 -20.587 -9.807 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.156 -19.407 -7.817 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.822 -18.561 -7.800 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.857 -20.339 -7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.512 -19.388 -9.345 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.638 -17.225 -8.874 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.328 -18.049 -10.422 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.966 -18.049 -9.725 1.00 0.00 H new ATOM 363 N LYS A 23 -5.442 -21.944 -6.475 1.00 0.00 N ATOM 364 CA LYS A 23 -6.042 -21.993 -5.112 1.00 0.00 C ATOM 365 C LYS A 23 -5.345 -20.969 -4.218 1.00 0.00 C ATOM 366 O LYS A 23 -4.254 -21.195 -3.736 1.00 0.00 O ATOM 367 CB LYS A 23 -5.863 -23.394 -4.524 1.00 0.00 C ATOM 368 CG LYS A 23 -7.093 -24.239 -4.849 1.00 0.00 C ATOM 369 CD LYS A 23 -7.686 -24.796 -3.553 1.00 0.00 C ATOM 370 CE LYS A 23 -9.192 -25.001 -3.728 1.00 0.00 C ATOM 371 NZ LYS A 23 -9.433 -26.120 -4.682 1.00 0.00 N ATOM 0 H LYS A 23 -4.422 -21.931 -6.500 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.105 -21.761 -5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.968 -23.861 -4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.724 -23.333 -3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.835 -23.635 -5.371 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.820 -25.056 -5.517 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.207 -25.741 -3.298 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.495 -24.109 -2.728 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.654 -25.223 -2.766 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.654 -24.086 -4.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.453 -26.316 -4.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.080 -25.855 -5.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.934 -26.971 -4.352 1.00 0.00 H new ATOM 385 N PRO A 24 -5.994 -19.816 -3.999 1.00 0.00 N ATOM 386 CA PRO A 24 -5.443 -18.736 -3.166 1.00 0.00 C ATOM 387 C PRO A 24 -5.279 -19.161 -1.707 1.00 0.00 C ATOM 388 O PRO A 24 -6.227 -19.534 -1.046 1.00 0.00 O ATOM 389 CB PRO A 24 -6.490 -17.628 -3.282 1.00 0.00 C ATOM 390 CG PRO A 24 -7.747 -18.345 -3.636 1.00 0.00 C ATOM 391 CD PRO A 24 -7.322 -19.470 -4.534 1.00 0.00 C ATOM 0 HA PRO A 24 -4.447 -18.435 -3.493 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.595 -17.080 -2.346 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.217 -16.902 -4.048 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.249 -18.721 -2.745 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.449 -17.682 -4.142 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.012 -20.312 -4.485 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.272 -19.160 -5.578 1.00 0.00 H new ATOM 399 N VAL A 25 -4.077 -19.111 -1.202 1.00 0.00 N ATOM 400 CA VAL A 25 -3.847 -19.516 0.213 1.00 0.00 C ATOM 401 C VAL A 25 -3.273 -18.338 1.007 1.00 0.00 C ATOM 402 O VAL A 25 -2.683 -17.431 0.455 1.00 0.00 O ATOM 403 CB VAL A 25 -2.850 -20.674 0.248 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.302 -21.769 -0.718 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.469 -20.164 -0.169 1.00 0.00 C ATOM 0 H VAL A 25 -3.245 -18.807 -1.708 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.794 -19.823 0.657 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.801 -21.082 1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.590 -22.594 -0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.287 -22.130 -0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.352 -21.365 -1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.755 -20.987 -0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.521 -19.758 -1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.146 -19.384 0.520 1.00 0.00 H new ATOM 415 N CYS A 26 -3.433 -18.356 2.304 1.00 0.00 N ATOM 416 CA CYS A 26 -2.889 -17.248 3.142 1.00 0.00 C ATOM 417 C CYS A 26 -1.562 -17.695 3.760 1.00 0.00 C ATOM 418 O CYS A 26 -1.520 -18.603 4.562 1.00 0.00 O ATOM 419 CB CYS A 26 -3.884 -16.912 4.258 1.00 0.00 C ATOM 420 SG CYS A 26 -3.102 -15.804 5.458 1.00 0.00 S ATOM 0 H CYS A 26 -3.917 -19.091 2.819 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.730 -16.364 2.524 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.772 -16.440 3.837 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.213 -17.826 4.753 1.00 0.00 H new ATOM 425 N GLY A 27 -0.477 -17.069 3.395 1.00 0.00 N ATOM 426 CA GLY A 27 0.842 -17.468 3.963 1.00 0.00 C ATOM 427 C GLY A 27 0.911 -17.075 5.441 1.00 0.00 C ATOM 428 O GLY A 27 0.494 -16.001 5.827 1.00 0.00 O ATOM 0 H GLY A 27 -0.447 -16.298 2.728 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.984 -18.543 3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.647 -16.984 3.411 1.00 0.00 H new ATOM 432 N ASP A 28 1.436 -17.937 6.269 1.00 0.00 N ATOM 433 CA ASP A 28 1.534 -17.614 7.723 1.00 0.00 C ATOM 434 C ASP A 28 2.549 -16.490 7.933 1.00 0.00 C ATOM 435 O ASP A 28 2.688 -15.961 9.019 1.00 0.00 O ATOM 436 CB ASP A 28 1.982 -18.858 8.493 1.00 0.00 C ATOM 437 CG ASP A 28 3.368 -19.286 8.007 1.00 0.00 C ATOM 438 OD1 ASP A 28 3.932 -18.576 7.192 1.00 0.00 O ATOM 439 OD2 ASP A 28 3.839 -20.317 8.458 1.00 0.00 O ATOM 0 H ASP A 28 1.802 -18.851 6.002 1.00 0.00 H new ATOM 0 HA ASP A 28 0.559 -17.292 8.088 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.009 -18.647 9.562 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.267 -19.667 8.345 1.00 0.00 H new ATOM 444 N ASP A 29 3.260 -16.117 6.904 1.00 0.00 N ATOM 445 CA ASP A 29 4.260 -15.023 7.052 1.00 0.00 C ATOM 446 C ASP A 29 3.562 -13.672 6.882 1.00 0.00 C ATOM 447 O ASP A 29 4.196 -12.637 6.836 1.00 0.00 O ATOM 448 CB ASP A 29 5.345 -15.175 5.983 1.00 0.00 C ATOM 449 CG ASP A 29 4.707 -15.107 4.594 1.00 0.00 C ATOM 450 OD1 ASP A 29 3.507 -14.899 4.524 1.00 0.00 O ATOM 451 OD2 ASP A 29 5.430 -15.266 3.624 1.00 0.00 O ATOM 0 H ASP A 29 3.192 -16.521 5.970 1.00 0.00 H new ATOM 0 HA ASP A 29 4.716 -15.077 8.041 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.090 -14.387 6.091 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.865 -16.125 6.110 1.00 0.00 H new ATOM 456 N GLY A 30 2.259 -13.674 6.784 1.00 0.00 N ATOM 457 CA GLY A 30 1.525 -12.390 6.614 1.00 0.00 C ATOM 458 C GLY A 30 1.409 -12.071 5.123 1.00 0.00 C ATOM 459 O GLY A 30 1.150 -10.949 4.734 1.00 0.00 O ATOM 0 H GLY A 30 1.674 -14.509 6.814 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.533 -12.462 7.061 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.050 -11.586 7.130 1.00 0.00 H new ATOM 463 N GLN A 31 1.603 -13.052 4.285 1.00 0.00 N ATOM 464 CA GLN A 31 1.506 -12.809 2.819 1.00 0.00 C ATOM 465 C GLN A 31 0.527 -13.807 2.202 1.00 0.00 C ATOM 466 O GLN A 31 0.233 -14.837 2.773 1.00 0.00 O ATOM 467 CB GLN A 31 2.882 -12.995 2.179 1.00 0.00 C ATOM 468 CG GLN A 31 3.823 -11.888 2.659 1.00 0.00 C ATOM 469 CD GLN A 31 5.256 -12.220 2.236 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.529 -13.310 1.773 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.190 -11.319 2.378 1.00 0.00 N ATOM 0 H GLN A 31 1.824 -14.011 4.553 1.00 0.00 H new ATOM 0 HA GLN A 31 1.154 -11.792 2.643 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.288 -13.972 2.442 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.796 -12.968 1.093 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.520 -10.930 2.237 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.765 -11.791 3.743 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.961 -10.404 2.767 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.149 -11.530 2.100 1.00 0.00 H new ATOM 480 N THR A 32 0.024 -13.514 1.035 1.00 0.00 N ATOM 481 CA THR A 32 -0.928 -14.451 0.379 1.00 0.00 C ATOM 482 C THR A 32 -0.314 -14.961 -0.924 1.00 0.00 C ATOM 483 O THR A 32 0.388 -14.246 -1.611 1.00 0.00 O ATOM 484 CB THR A 32 -2.238 -13.724 0.071 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.738 -13.126 1.259 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.259 -14.725 -0.469 1.00 0.00 C ATOM 0 H THR A 32 0.232 -12.666 0.508 1.00 0.00 H new ATOM 0 HA THR A 32 -1.129 -15.289 1.046 1.00 0.00 H new ATOM 0 HB THR A 32 -2.060 -12.950 -0.675 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.483 -12.530 1.036 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.193 -14.209 -0.689 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.874 -15.182 -1.380 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.439 -15.499 0.277 1.00 0.00 H new ATOM 494 N TYR A 33 -0.570 -16.191 -1.269 1.00 0.00 N ATOM 495 CA TYR A 33 0.002 -16.742 -2.527 1.00 0.00 C ATOM 496 C TYR A 33 -1.129 -17.278 -3.405 1.00 0.00 C ATOM 497 O TYR A 33 -1.967 -18.036 -2.957 1.00 0.00 O ATOM 498 CB TYR A 33 0.975 -17.871 -2.188 1.00 0.00 C ATOM 499 CG TYR A 33 2.117 -17.312 -1.374 1.00 0.00 C ATOM 500 CD1 TYR A 33 1.970 -17.130 0.007 1.00 0.00 C ATOM 501 CD2 TYR A 33 3.322 -16.973 -2.001 1.00 0.00 C ATOM 502 CE1 TYR A 33 3.030 -16.611 0.761 1.00 0.00 C ATOM 503 CE2 TYR A 33 4.380 -16.453 -1.247 1.00 0.00 C ATOM 504 CZ TYR A 33 4.235 -16.272 0.133 1.00 0.00 C ATOM 505 OH TYR A 33 5.280 -15.760 0.875 1.00 0.00 O ATOM 0 H TYR A 33 -1.150 -16.838 -0.735 1.00 0.00 H new ATOM 0 HA TYR A 33 0.534 -15.958 -3.065 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.462 -18.654 -1.629 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.353 -18.328 -3.102 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.040 -17.390 0.490 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.435 -17.113 -3.066 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.918 -16.472 1.826 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.309 -16.191 -1.731 1.00 0.00 H new ATOM 0 HH TYR A 33 5.034 -14.876 1.220 1.00 0.00 H new ATOM 515 N ASN A 34 -1.166 -16.886 -4.648 1.00 0.00 N ATOM 516 CA ASN A 34 -2.251 -17.371 -5.545 1.00 0.00 C ATOM 517 C ASN A 34 -2.351 -18.895 -5.457 1.00 0.00 C ATOM 518 O ASN A 34 -3.219 -19.427 -4.799 1.00 0.00 O ATOM 519 CB ASN A 34 -1.960 -16.949 -6.989 1.00 0.00 C ATOM 520 CG ASN A 34 -1.413 -15.524 -7.007 1.00 0.00 C ATOM 521 OD1 ASN A 34 -1.865 -14.675 -6.263 1.00 0.00 O ATOM 522 ND2 ASN A 34 -0.449 -15.221 -7.831 1.00 0.00 N ATOM 0 H ASN A 34 -0.494 -16.252 -5.080 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.198 -16.932 -5.231 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.239 -17.631 -7.439 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.870 -17.007 -7.586 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.075 -14.272 -7.851 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.069 -15.933 -8.455 1.00 0.00 H new ATOM 529 N ASN A 35 -1.477 -19.601 -6.114 1.00 0.00 N ATOM 530 CA ASN A 35 -1.534 -21.090 -6.066 1.00 0.00 C ATOM 531 C ASN A 35 -0.851 -21.594 -4.792 1.00 0.00 C ATOM 532 O ASN A 35 0.112 -21.017 -4.326 1.00 0.00 O ATOM 533 CB ASN A 35 -0.822 -21.653 -7.300 1.00 0.00 C ATOM 534 CG ASN A 35 -0.689 -23.172 -7.185 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.005 -23.670 -6.315 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.319 -23.934 -8.037 1.00 0.00 N ATOM 0 H ASN A 35 -0.724 -19.213 -6.683 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.573 -21.420 -6.060 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.381 -21.397 -8.200 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.165 -21.200 -7.398 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.237 -24.949 -7.972 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.894 -23.515 -8.768 1.00 0.00 H new ATOM 543 N PRO A 36 -1.356 -22.703 -4.225 1.00 0.00 N ATOM 544 CA PRO A 36 -0.791 -23.302 -3.008 1.00 0.00 C ATOM 545 C PRO A 36 0.639 -23.792 -3.235 1.00 0.00 C ATOM 546 O PRO A 36 1.547 -23.437 -2.510 1.00 0.00 O ATOM 547 CB PRO A 36 -1.726 -24.479 -2.723 1.00 0.00 C ATOM 548 CG PRO A 36 -2.325 -24.796 -4.050 1.00 0.00 C ATOM 549 CD PRO A 36 -2.511 -23.467 -4.721 1.00 0.00 C ATOM 0 HA PRO A 36 -0.728 -22.591 -2.184 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.181 -25.332 -2.317 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.491 -24.213 -1.993 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.671 -25.444 -4.633 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.275 -25.318 -3.939 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.504 -23.555 -5.807 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.457 -23.000 -4.445 1.00 0.00 H new ATOM 557 N CYS A 37 0.857 -24.585 -4.248 1.00 0.00 N ATOM 558 CA CYS A 37 2.238 -25.062 -4.518 1.00 0.00 C ATOM 559 C CYS A 37 3.112 -23.840 -4.793 1.00 0.00 C ATOM 560 O CYS A 37 4.289 -23.817 -4.492 1.00 0.00 O ATOM 561 CB CYS A 37 2.237 -25.986 -5.737 1.00 0.00 C ATOM 562 SG CYS A 37 3.942 -26.298 -6.261 1.00 0.00 S ATOM 0 H CYS A 37 0.143 -24.920 -4.895 1.00 0.00 H new ATOM 0 HA CYS A 37 2.623 -25.618 -3.663 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.743 -26.926 -5.493 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.673 -25.531 -6.551 1.00 0.00 H new ATOM 567 N MET A 38 2.526 -22.812 -5.350 1.00 0.00 N ATOM 568 CA MET A 38 3.298 -21.574 -5.635 1.00 0.00 C ATOM 569 C MET A 38 3.819 -21.003 -4.314 1.00 0.00 C ATOM 570 O MET A 38 4.767 -20.244 -4.282 1.00 0.00 O ATOM 571 CB MET A 38 2.386 -20.551 -6.320 1.00 0.00 C ATOM 572 CG MET A 38 2.481 -20.723 -7.837 1.00 0.00 C ATOM 573 SD MET A 38 1.454 -19.476 -8.654 1.00 0.00 S ATOM 574 CE MET A 38 1.294 -20.325 -10.245 1.00 0.00 C ATOM 0 H MET A 38 1.543 -22.780 -5.619 1.00 0.00 H new ATOM 0 HA MET A 38 4.137 -21.799 -6.294 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.356 -20.688 -5.991 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.679 -19.540 -6.038 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.517 -20.624 -8.160 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.152 -21.723 -8.121 1.00 0.00 H new ATOM 0 HE1 MET A 38 0.686 -19.722 -10.919 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.282 -20.471 -10.680 1.00 0.00 H new ATOM 0 HE3 MET A 38 0.817 -21.294 -10.094 1.00 0.00 H new ATOM 584 N LEU A 39 3.208 -21.377 -3.221 1.00 0.00 N ATOM 585 CA LEU A 39 3.668 -20.872 -1.897 1.00 0.00 C ATOM 586 C LEU A 39 5.097 -21.344 -1.668 1.00 0.00 C ATOM 587 O LEU A 39 5.964 -20.574 -1.301 1.00 0.00 O ATOM 588 CB LEU A 39 2.749 -21.422 -0.802 1.00 0.00 C ATOM 589 CG LEU A 39 3.293 -21.041 0.576 1.00 0.00 C ATOM 590 CD1 LEU A 39 3.280 -19.519 0.731 1.00 0.00 C ATOM 591 CD2 LEU A 39 2.413 -21.667 1.660 1.00 0.00 C ATOM 0 H LEU A 39 2.410 -22.011 -3.189 1.00 0.00 H new ATOM 0 HA LEU A 39 3.636 -19.783 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.742 -21.025 -0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.677 -22.506 -0.887 1.00 0.00 H new ATOM 0 HG LEU A 39 4.315 -21.407 0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.668 -19.250 1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.904 -19.069 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.259 -19.152 0.631 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.799 -21.397 2.643 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.392 -21.299 1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.420 -22.752 1.553 1.00 0.00 H new ATOM 603 N CYS A 40 5.362 -22.594 -1.911 1.00 0.00 N ATOM 604 CA CYS A 40 6.749 -23.090 -1.736 1.00 0.00 C ATOM 605 C CYS A 40 7.595 -22.497 -2.857 1.00 0.00 C ATOM 606 O CYS A 40 8.786 -22.306 -2.721 1.00 0.00 O ATOM 607 CB CYS A 40 6.774 -24.615 -1.814 1.00 0.00 C ATOM 608 SG CYS A 40 5.298 -25.292 -1.018 1.00 0.00 S ATOM 0 H CYS A 40 4.683 -23.289 -2.221 1.00 0.00 H new ATOM 0 HA CYS A 40 7.140 -22.794 -0.763 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.816 -24.935 -2.855 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.670 -24.999 -1.326 1.00 0.00 H new ATOM 613 N HIS A 41 6.969 -22.185 -3.961 1.00 0.00 N ATOM 614 CA HIS A 41 7.707 -21.583 -5.104 1.00 0.00 C ATOM 615 C HIS A 41 8.242 -20.217 -4.683 1.00 0.00 C ATOM 616 O HIS A 41 9.423 -19.947 -4.769 1.00 0.00 O ATOM 617 CB HIS A 41 6.752 -21.410 -6.283 1.00 0.00 C ATOM 618 CG HIS A 41 7.540 -21.302 -7.561 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.384 -22.310 -7.997 1.00 0.00 N ATOM 620 CD2 HIS A 41 7.623 -20.309 -8.506 1.00 0.00 C ATOM 621 CE1 HIS A 41 8.932 -21.906 -9.157 1.00 0.00 C ATOM 622 NE2 HIS A 41 8.503 -20.693 -9.513 1.00 0.00 N ATOM 0 H HIS A 41 5.971 -22.323 -4.118 1.00 0.00 H new ATOM 0 HA HIS A 41 8.534 -22.231 -5.396 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.068 -22.257 -6.337 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.143 -20.517 -6.143 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.087 -19.372 -8.473 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.634 -22.492 -9.731 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.764 -20.162 -10.344 1.00 0.00 H new ATOM 630 N GLU A 42 7.381 -19.351 -4.218 1.00 0.00 N ATOM 631 CA GLU A 42 7.846 -18.008 -3.782 1.00 0.00 C ATOM 632 C GLU A 42 8.763 -18.177 -2.572 1.00 0.00 C ATOM 633 O GLU A 42 9.520 -17.292 -2.216 1.00 0.00 O ATOM 634 CB GLU A 42 6.640 -17.151 -3.395 1.00 0.00 C ATOM 635 CG GLU A 42 5.775 -16.899 -4.631 1.00 0.00 C ATOM 636 CD GLU A 42 6.587 -16.125 -5.671 1.00 0.00 C ATOM 637 OE1 GLU A 42 7.625 -15.594 -5.308 1.00 0.00 O ATOM 638 OE2 GLU A 42 6.157 -16.075 -6.811 1.00 0.00 O ATOM 0 H GLU A 42 6.379 -19.518 -4.123 1.00 0.00 H new ATOM 0 HA GLU A 42 8.386 -17.519 -4.593 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.055 -17.654 -2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.974 -16.203 -2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.436 -17.846 -5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.884 -16.335 -4.356 1.00 0.00 H new ATOM 645 N ASN A 43 8.700 -19.315 -1.938 1.00 0.00 N ATOM 646 CA ASN A 43 9.563 -19.553 -0.751 1.00 0.00 C ATOM 647 C ASN A 43 10.990 -19.846 -1.215 1.00 0.00 C ATOM 648 O ASN A 43 11.949 -19.524 -0.541 1.00 0.00 O ATOM 649 CB ASN A 43 9.016 -20.738 0.048 1.00 0.00 C ATOM 650 CG ASN A 43 7.651 -20.360 0.629 1.00 0.00 C ATOM 651 OD1 ASN A 43 7.320 -19.195 0.722 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.837 -21.299 1.025 1.00 0.00 N ATOM 0 H ASN A 43 8.087 -20.090 -2.192 1.00 0.00 H new ATOM 0 HA ASN A 43 9.568 -18.668 -0.114 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.922 -21.614 -0.594 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.706 -21.002 0.849 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.925 -21.054 1.411 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.112 -22.278 0.948 1.00 0.00 H new ATOM 659 N LEU A 44 11.144 -20.440 -2.367 1.00 0.00 N ATOM 660 CA LEU A 44 12.515 -20.730 -2.870 1.00 0.00 C ATOM 661 C LEU A 44 13.275 -19.410 -3.005 1.00 0.00 C ATOM 662 O LEU A 44 14.457 -19.331 -2.736 1.00 0.00 O ATOM 663 CB LEU A 44 12.432 -21.420 -4.233 1.00 0.00 C ATOM 664 CG LEU A 44 12.028 -22.882 -4.038 1.00 0.00 C ATOM 665 CD1 LEU A 44 10.556 -23.054 -4.407 1.00 0.00 C ATOM 666 CD2 LEU A 44 12.887 -23.775 -4.935 1.00 0.00 C ATOM 0 H LEU A 44 10.383 -20.736 -2.979 1.00 0.00 H new ATOM 0 HA LEU A 44 13.034 -21.389 -2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.705 -20.912 -4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.394 -21.362 -4.742 1.00 0.00 H new ATOM 0 HG LEU A 44 12.179 -23.165 -2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.266 -24.095 -4.269 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.944 -22.419 -3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.407 -22.771 -5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.598 -24.817 -4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.738 -23.494 -5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.938 -23.651 -4.672 1.00 0.00 H new ATOM 678 N ILE A 45 12.598 -18.368 -3.405 1.00 0.00 N ATOM 679 CA ILE A 45 13.271 -17.048 -3.540 1.00 0.00 C ATOM 680 C ILE A 45 13.476 -16.460 -2.145 1.00 0.00 C ATOM 681 O ILE A 45 14.553 -16.020 -1.795 1.00 0.00 O ATOM 682 CB ILE A 45 12.394 -16.105 -4.367 1.00 0.00 C ATOM 683 CG1 ILE A 45 11.794 -16.872 -5.545 1.00 0.00 C ATOM 684 CG2 ILE A 45 13.241 -14.944 -4.892 1.00 0.00 C ATOM 685 CD1 ILE A 45 12.900 -17.646 -6.264 1.00 0.00 C ATOM 0 H ILE A 45 11.606 -18.376 -3.644 1.00 0.00 H new ATOM 0 HA ILE A 45 14.232 -17.171 -4.040 1.00 0.00 H new ATOM 0 HB ILE A 45 11.593 -15.713 -3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.025 -17.559 -5.192 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.311 -16.180 -6.235 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.615 -14.274 -5.481 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.669 -14.397 -4.052 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.044 -15.333 -5.518 1.00 0.00 H new ATOM 0 HD11 ILE A 45 12.474 -18.194 -7.104 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.653 -16.948 -6.630 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.362 -18.348 -5.571 1.00 0.00 H new ATOM 697 N ARG A 46 12.446 -16.458 -1.342 1.00 0.00 N ATOM 698 CA ARG A 46 12.581 -15.908 0.037 1.00 0.00 C ATOM 699 C ARG A 46 13.509 -16.812 0.849 1.00 0.00 C ATOM 700 O ARG A 46 14.136 -16.385 1.799 1.00 0.00 O ATOM 701 CB ARG A 46 11.205 -15.862 0.706 1.00 0.00 C ATOM 702 CG ARG A 46 10.298 -14.891 -0.051 1.00 0.00 C ATOM 703 CD ARG A 46 8.957 -14.780 0.676 1.00 0.00 C ATOM 704 NE ARG A 46 9.166 -14.142 2.007 1.00 0.00 N ATOM 705 CZ ARG A 46 9.873 -13.050 2.103 1.00 0.00 C ATOM 706 NH1 ARG A 46 9.702 -12.086 1.240 1.00 0.00 N ATOM 707 NH2 ARG A 46 10.750 -12.922 3.061 1.00 0.00 N ATOM 0 H ARG A 46 11.520 -16.812 -1.581 1.00 0.00 H new ATOM 0 HA ARG A 46 12.995 -14.901 -0.010 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.761 -16.857 0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.305 -15.547 1.745 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.771 -13.911 -0.118 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.143 -15.241 -1.072 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.258 -14.190 0.084 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.515 -15.769 0.800 1.00 0.00 H new ATOM 0 HE ARG A 46 8.756 -14.559 2.843 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.016 -12.187 0.492 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.254 -11.232 1.314 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.883 -13.676 3.735 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.303 -12.068 3.136 1.00 0.00 H new ATOM 721 N GLN A 47 13.600 -18.062 0.482 1.00 0.00 N ATOM 722 CA GLN A 47 14.485 -19.001 1.226 1.00 0.00 C ATOM 723 C GLN A 47 13.978 -19.153 2.662 1.00 0.00 C ATOM 724 O GLN A 47 14.748 -19.190 3.602 1.00 0.00 O ATOM 725 CB GLN A 47 15.914 -18.457 1.240 1.00 0.00 C ATOM 726 CG GLN A 47 16.429 -18.348 -0.198 1.00 0.00 C ATOM 727 CD GLN A 47 17.884 -17.874 -0.186 1.00 0.00 C ATOM 728 OE1 GLN A 47 18.374 -17.401 0.821 1.00 0.00 O ATOM 729 NE2 GLN A 47 18.602 -17.986 -1.270 1.00 0.00 N ATOM 0 H GLN A 47 13.097 -18.474 -0.304 1.00 0.00 H new ATOM 0 HA GLN A 47 14.475 -19.974 0.735 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.938 -17.480 1.722 1.00 0.00 H new ATOM 0 HB3 GLN A 47 16.560 -19.115 1.821 1.00 0.00 H new ATOM 0 HG2 GLN A 47 16.355 -19.315 -0.696 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.813 -17.649 -0.764 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.191 -18.383 -2.115 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.574 -17.677 -1.272 1.00 0.00 H new ATOM 738 N THR A 48 12.688 -19.247 2.839 1.00 0.00 N ATOM 739 CA THR A 48 12.132 -19.401 4.213 1.00 0.00 C ATOM 740 C THR A 48 11.139 -20.566 4.227 1.00 0.00 C ATOM 741 O THR A 48 10.687 -21.020 3.194 1.00 0.00 O ATOM 742 CB THR A 48 11.414 -18.114 4.627 1.00 0.00 C ATOM 743 OG1 THR A 48 10.143 -18.058 3.994 1.00 0.00 O ATOM 744 CG2 THR A 48 12.248 -16.903 4.208 1.00 0.00 C ATOM 0 H THR A 48 11.995 -19.224 2.091 1.00 0.00 H new ATOM 0 HA THR A 48 12.943 -19.600 4.913 1.00 0.00 H new ATOM 0 HB THR A 48 11.283 -18.104 5.709 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.624 -17.315 4.367 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.735 -15.988 4.504 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.222 -16.946 4.695 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.382 -16.910 3.126 1.00 0.00 H new ATOM 752 N ASN A 49 10.794 -21.053 5.387 1.00 0.00 N ATOM 753 CA ASN A 49 9.833 -22.189 5.459 1.00 0.00 C ATOM 754 C ASN A 49 8.420 -21.649 5.691 1.00 0.00 C ATOM 755 O ASN A 49 7.778 -21.962 6.674 1.00 0.00 O ATOM 756 CB ASN A 49 10.222 -23.115 6.613 1.00 0.00 C ATOM 757 CG ASN A 49 11.631 -23.663 6.372 1.00 0.00 C ATOM 758 OD1 ASN A 49 12.154 -23.568 5.279 1.00 0.00 O ATOM 759 ND2 ASN A 49 12.272 -24.235 7.355 1.00 0.00 N ATOM 0 H ASN A 49 11.135 -20.714 6.286 1.00 0.00 H new ATOM 0 HA ASN A 49 9.859 -22.746 4.522 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.188 -22.572 7.557 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.509 -23.936 6.691 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.212 -24.602 7.206 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.833 -24.315 8.272 1.00 0.00 H new ATOM 766 N THR A 50 7.929 -20.839 4.793 1.00 0.00 N ATOM 767 CA THR A 50 6.557 -20.281 4.963 1.00 0.00 C ATOM 768 C THR A 50 5.525 -21.365 4.650 1.00 0.00 C ATOM 769 O THR A 50 5.608 -22.042 3.644 1.00 0.00 O ATOM 770 CB THR A 50 6.364 -19.103 4.004 1.00 0.00 C ATOM 771 OG1 THR A 50 7.408 -18.160 4.200 1.00 0.00 O ATOM 772 CG2 THR A 50 5.013 -18.438 4.273 1.00 0.00 C ATOM 0 H THR A 50 8.418 -20.540 3.949 1.00 0.00 H new ATOM 0 HA THR A 50 6.427 -19.940 5.990 1.00 0.00 H new ATOM 0 HB THR A 50 6.388 -19.463 2.976 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.251 -18.531 3.865 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.878 -17.600 3.589 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.214 -19.163 4.121 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.984 -18.076 5.301 1.00 0.00 H new ATOM 780 N HIS A 51 4.549 -21.535 5.499 1.00 0.00 N ATOM 781 CA HIS A 51 3.513 -22.572 5.241 1.00 0.00 C ATOM 782 C HIS A 51 2.172 -21.891 4.970 1.00 0.00 C ATOM 783 O HIS A 51 2.086 -20.683 4.846 1.00 0.00 O ATOM 784 CB HIS A 51 3.375 -23.490 6.458 1.00 0.00 C ATOM 785 CG HIS A 51 4.727 -23.728 7.071 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.264 -22.886 8.032 1.00 0.00 N ATOM 787 CD2 HIS A 51 5.662 -24.715 6.875 1.00 0.00 C ATOM 788 CE1 HIS A 51 6.469 -23.377 8.375 1.00 0.00 C ATOM 789 NE2 HIS A 51 6.761 -24.491 7.700 1.00 0.00 N ATOM 0 H HIS A 51 4.425 -21.001 6.359 1.00 0.00 H new ATOM 0 HA HIS A 51 3.810 -23.165 4.376 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.707 -23.039 7.192 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.928 -24.439 6.161 1.00 0.00 H new ATOM 0 HD1 HIS A 51 4.825 -22.047 8.411 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.560 -25.540 6.185 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.121 -22.925 9.108 1.00 0.00 H new ATOM 797 N ILE A 52 1.122 -22.659 4.876 1.00 0.00 N ATOM 798 CA ILE A 52 -0.214 -22.061 4.610 1.00 0.00 C ATOM 799 C ILE A 52 -0.899 -21.717 5.932 1.00 0.00 C ATOM 800 O ILE A 52 -1.039 -22.544 6.811 1.00 0.00 O ATOM 801 CB ILE A 52 -1.076 -23.055 3.834 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.473 -23.280 2.446 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.491 -22.495 3.691 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.363 -24.241 1.657 1.00 0.00 C ATOM 0 H ILE A 52 1.132 -23.674 4.972 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.088 -21.152 4.022 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.112 -24.003 4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.385 -22.331 1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.533 -23.689 2.536 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.108 -23.203 3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.921 -22.335 4.680 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.455 -21.547 3.154 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.936 -24.403 0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.428 -25.193 2.185 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.360 -23.813 1.556 1.00 0.00 H new ATOM 816 N ARG A 53 -1.327 -20.497 6.071 1.00 0.00 N ATOM 817 CA ARG A 53 -2.008 -20.071 7.325 1.00 0.00 C ATOM 818 C ARG A 53 -3.492 -20.413 7.236 1.00 0.00 C ATOM 819 O ARG A 53 -4.045 -21.071 8.095 1.00 0.00 O ATOM 820 CB ARG A 53 -1.851 -18.560 7.483 1.00 0.00 C ATOM 821 CG ARG A 53 -2.402 -18.124 8.839 1.00 0.00 C ATOM 822 CD ARG A 53 -1.506 -18.665 9.953 1.00 0.00 C ATOM 823 NE ARG A 53 -2.077 -18.292 11.277 1.00 0.00 N ATOM 824 CZ ARG A 53 -1.874 -17.096 11.762 1.00 0.00 C ATOM 825 NH1 ARG A 53 -0.668 -16.600 11.792 1.00 0.00 N ATOM 826 NH2 ARG A 53 -2.879 -16.399 12.218 1.00 0.00 N ATOM 0 H ARG A 53 -1.234 -19.768 5.364 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.566 -20.584 8.179 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.800 -18.283 7.401 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.380 -18.044 6.682 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.449 -17.036 8.892 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.420 -18.493 8.965 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.423 -19.749 9.873 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.499 -18.260 9.853 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.626 -18.970 11.805 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.117 -17.146 11.437 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.510 -15.666 12.171 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.822 -16.788 12.195 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.722 -15.465 12.597 1.00 0.00 H new ATOM 840 N SER A 54 -4.137 -19.964 6.200 1.00 0.00 N ATOM 841 CA SER A 54 -5.587 -20.246 6.036 1.00 0.00 C ATOM 842 C SER A 54 -5.893 -20.435 4.552 1.00 0.00 C ATOM 843 O SER A 54 -5.214 -19.899 3.697 1.00 0.00 O ATOM 844 CB SER A 54 -6.397 -19.068 6.581 1.00 0.00 C ATOM 845 OG SER A 54 -6.380 -18.007 5.638 1.00 0.00 O ATOM 0 H SER A 54 -3.719 -19.409 5.453 1.00 0.00 H new ATOM 0 HA SER A 54 -5.853 -21.151 6.583 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.423 -19.378 6.777 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.978 -18.733 7.530 1.00 0.00 H new ATOM 0 HG SER A 54 -6.900 -17.252 5.985 1.00 0.00 H new ATOM 851 N THR A 55 -6.904 -21.191 4.232 1.00 0.00 N ATOM 852 CA THR A 55 -7.240 -21.408 2.798 1.00 0.00 C ATOM 853 C THR A 55 -7.863 -20.134 2.224 1.00 0.00 C ATOM 854 O THR A 55 -8.584 -19.425 2.896 1.00 0.00 O ATOM 855 CB THR A 55 -8.230 -22.568 2.673 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.497 -22.162 3.171 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.721 -23.764 3.480 1.00 0.00 C ATOM 0 H THR A 55 -7.511 -21.667 4.899 1.00 0.00 H new ATOM 0 HA THR A 55 -6.333 -21.649 2.244 1.00 0.00 H new ATOM 0 HB THR A 55 -8.326 -22.854 1.626 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.133 -22.903 3.090 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.427 -24.590 3.391 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.749 -24.074 3.097 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.624 -23.481 4.528 1.00 0.00 H new ATOM 865 N GLY A 56 -7.585 -19.838 0.984 1.00 0.00 N ATOM 866 CA GLY A 56 -8.154 -18.608 0.365 1.00 0.00 C ATOM 867 C GLY A 56 -7.176 -17.449 0.550 1.00 0.00 C ATOM 868 O GLY A 56 -6.247 -17.523 1.328 1.00 0.00 O ATOM 0 H GLY A 56 -6.988 -20.395 0.373 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.341 -18.775 -0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.113 -18.366 0.824 1.00 0.00 H new ATOM 872 N LYS A 57 -7.381 -16.378 -0.160 1.00 0.00 N ATOM 873 CA LYS A 57 -6.467 -15.208 -0.029 1.00 0.00 C ATOM 874 C LYS A 57 -6.642 -14.582 1.356 1.00 0.00 C ATOM 875 O LYS A 57 -7.738 -14.496 1.873 1.00 0.00 O ATOM 876 CB LYS A 57 -6.803 -14.168 -1.101 1.00 0.00 C ATOM 877 CG LYS A 57 -6.639 -14.793 -2.488 1.00 0.00 C ATOM 878 CD LYS A 57 -6.610 -13.689 -3.547 1.00 0.00 C ATOM 879 CE LYS A 57 -6.459 -14.316 -4.934 1.00 0.00 C ATOM 880 NZ LYS A 57 -7.642 -15.178 -5.219 1.00 0.00 N ATOM 0 H LYS A 57 -8.143 -16.260 -0.827 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.436 -15.538 -0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.825 -13.812 -0.970 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.148 -13.302 -1.001 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.718 -15.375 -2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.460 -15.481 -2.688 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.527 -13.101 -3.500 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.783 -13.006 -3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.373 -13.536 -5.690 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.545 -14.907 -4.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.325 -16.149 -5.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.277 -15.179 -4.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.150 -14.808 -6.048 1.00 0.00 H new ATOM 894 N CYS A 58 -5.573 -14.142 1.962 1.00 0.00 N ATOM 895 CA CYS A 58 -5.686 -13.524 3.312 1.00 0.00 C ATOM 896 C CYS A 58 -6.247 -12.106 3.179 1.00 0.00 C ATOM 897 O CYS A 58 -6.039 -11.437 2.186 1.00 0.00 O ATOM 898 CB CYS A 58 -4.304 -13.465 3.965 1.00 0.00 C ATOM 899 SG CYS A 58 -4.376 -14.242 5.597 1.00 0.00 S ATOM 0 H CYS A 58 -4.628 -14.184 1.581 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.354 -14.124 3.930 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.572 -13.975 3.339 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.977 -12.429 4.057 1.00 0.00 H new ATOM 904 N GLU A 59 -6.959 -11.646 4.170 1.00 0.00 N ATOM 905 CA GLU A 59 -7.534 -10.273 4.099 1.00 0.00 C ATOM 906 C GLU A 59 -6.404 -9.242 4.142 1.00 0.00 C ATOM 907 O GLU A 59 -5.855 -9.037 5.212 1.00 0.00 O ATOM 908 CB GLU A 59 -8.471 -10.050 5.288 1.00 0.00 C ATOM 909 CG GLU A 59 -9.200 -8.716 5.120 1.00 0.00 C ATOM 910 CD GLU A 59 -10.069 -8.451 6.352 1.00 0.00 C ATOM 911 OE1 GLU A 59 -10.051 -9.273 7.253 1.00 0.00 O ATOM 912 OE2 GLU A 59 -10.736 -7.430 6.373 1.00 0.00 O ATOM 913 OXT GLU A 59 -6.108 -8.675 3.103 1.00 0.00 O ATOM 0 H GLU A 59 -7.168 -12.161 5.025 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.092 -10.162 3.169 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.192 -10.865 5.354 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.902 -10.051 6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.479 -7.909 4.990 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.819 -8.738 4.223 1.00 0.00 H new TER 920 GLU A 59