USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 577 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 55 GLN : amide:sc= -4.81! C(o=-5.6!,f=-7!) USER MOD Set 1.2: A 56 SER OG : rot 180:sc= -0.761 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -67:sc= -0.245! USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= 0.815 (180deg=0.102!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -170:sc= -0.205 USER MOD Single : A 45 GLN : amide:sc= -1.73 K(o=-1.7,f=-0.62) USER MOD Single : A 48 ASN : amide:sc= -1.44 K(o=-1.4,f=-6.4!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= -0.583 USER MOD Single : A 58 GLN : amide:sc= -3.4 K(o=-3.4,f=-5.6!) USER MOD Single : A 59 LYS NZ :NH3+ 171:sc= 0.145 (180deg=0.118) USER MOD Single : A 63 SER OG : rot -152:sc= 1.27 USER MOD Single : A 75 SER OG : rot -85:sc= 0.561 USER MOD Single : A 92 SER OG : rot -22:sc= -0.112! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.756 6.026 -10.603 1.00 0.00 N ATOM 2 CA ALA A 1 -12.656 5.837 -9.610 1.00 0.00 C ATOM 3 C ALA A 1 -11.316 6.277 -10.191 1.00 0.00 C ATOM 4 O ALA A 1 -10.742 5.594 -11.039 1.00 0.00 O ATOM 5 CB ALA A 1 -12.586 4.382 -9.155 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.658 5.720 -10.185 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.819 7.031 -10.864 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.558 5.459 -11.452 1.00 0.00 H new ATOM 0 HA ALA A 1 -12.874 6.461 -8.743 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -11.779 4.265 -8.432 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.531 4.100 -8.692 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.398 3.740 -10.016 1.00 0.00 H new ATOM 13 N VAL A 2 -10.825 7.425 -9.732 1.00 0.00 N ATOM 14 CA VAL A 2 -9.555 7.954 -10.214 1.00 0.00 C ATOM 15 C VAL A 2 -8.790 8.665 -9.101 1.00 0.00 C ATOM 16 O VAL A 2 -9.059 8.467 -7.917 1.00 0.00 O ATOM 17 CB VAL A 2 -9.774 8.908 -11.416 1.00 0.00 C ATOM 18 CG1 VAL A 2 -10.231 10.297 -10.977 1.00 0.00 C ATOM 19 CG2 VAL A 2 -8.527 8.986 -12.288 1.00 0.00 C ATOM 0 H VAL A 2 -11.286 8.004 -9.030 1.00 0.00 H new ATOM 0 HA VAL A 2 -8.954 7.109 -10.549 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.581 8.486 -12.015 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.371 10.928 -11.855 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -11.173 10.216 -10.435 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.476 10.740 -10.328 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.709 9.662 -13.123 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -7.691 9.358 -11.695 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.287 7.994 -12.670 1.00 0.00 H new ATOM 29 N LEU A 3 -7.822 9.470 -9.501 1.00 0.00 N ATOM 30 CA LEU A 3 -6.981 10.200 -8.589 1.00 0.00 C ATOM 31 C LEU A 3 -7.713 11.316 -7.882 1.00 0.00 C ATOM 32 O LEU A 3 -8.715 11.837 -8.368 1.00 0.00 O ATOM 33 CB LEU A 3 -5.813 10.820 -9.363 1.00 0.00 C ATOM 34 CG LEU A 3 -4.520 10.024 -9.327 1.00 0.00 C ATOM 35 CD1 LEU A 3 -4.468 9.227 -8.054 1.00 0.00 C ATOM 36 CD2 LEU A 3 -4.416 9.113 -10.540 1.00 0.00 C ATOM 0 H LEU A 3 -7.601 9.633 -10.483 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.638 9.488 -7.839 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.114 10.948 -10.403 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -5.620 11.815 -8.963 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.673 10.709 -9.356 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.542 8.653 -8.022 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.506 9.903 -7.200 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.318 8.546 -8.016 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.483 8.552 -10.495 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.257 8.419 -10.547 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.434 9.714 -11.449 1.00 0.00 H new ATOM 48 N ASP A 4 -7.166 11.697 -6.737 1.00 0.00 N ATOM 49 CA ASP A 4 -7.716 12.772 -5.966 1.00 0.00 C ATOM 50 C ASP A 4 -7.224 14.093 -6.568 1.00 0.00 C ATOM 51 O ASP A 4 -7.419 14.337 -7.757 1.00 0.00 O ATOM 52 CB ASP A 4 -7.327 12.628 -4.488 1.00 0.00 C ATOM 53 CG ASP A 4 -8.161 13.512 -3.580 1.00 0.00 C ATOM 54 OD1 ASP A 4 -9.343 13.180 -3.350 1.00 0.00 O ATOM 55 OD2 ASP A 4 -7.633 14.536 -3.098 1.00 0.00 O ATOM 0 H ASP A 4 -6.336 11.266 -6.330 1.00 0.00 H new ATOM 0 HA ASP A 4 -8.805 12.752 -6.002 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.444 11.588 -4.184 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.273 12.879 -4.367 1.00 0.00 H new ATOM 60 N LEU A 5 -6.559 14.925 -5.774 1.00 0.00 N ATOM 61 CA LEU A 5 -6.022 16.174 -6.271 1.00 0.00 C ATOM 62 C LEU A 5 -4.563 15.982 -6.668 1.00 0.00 C ATOM 63 O LEU A 5 -4.205 14.951 -7.237 1.00 0.00 O ATOM 64 CB LEU A 5 -6.204 17.308 -5.241 1.00 0.00 C ATOM 65 CG LEU A 5 -5.401 17.237 -3.922 1.00 0.00 C ATOM 66 CD1 LEU A 5 -4.799 15.865 -3.672 1.00 0.00 C ATOM 67 CD2 LEU A 5 -4.347 18.342 -3.865 1.00 0.00 C ATOM 0 H LEU A 5 -6.382 14.752 -4.785 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.577 16.475 -7.160 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.952 18.247 -5.733 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.262 17.357 -4.984 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.108 17.404 -3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.247 15.876 -2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.595 15.123 -3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.122 15.611 -4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.795 18.271 -2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.657 18.230 -4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.836 19.314 -3.925 1.00 0.00 H new ATOM 79 N ASP A 6 -3.718 16.953 -6.360 1.00 0.00 N ATOM 80 CA ASP A 6 -2.318 16.840 -6.676 1.00 0.00 C ATOM 81 C ASP A 6 -1.632 15.933 -5.664 1.00 0.00 C ATOM 82 O ASP A 6 -0.739 15.161 -6.012 1.00 0.00 O ATOM 83 CB ASP A 6 -1.650 18.217 -6.716 1.00 0.00 C ATOM 84 CG ASP A 6 -1.136 18.559 -8.100 1.00 0.00 C ATOM 85 OD1 ASP A 6 -0.607 17.652 -8.774 1.00 0.00 O ATOM 86 OD2 ASP A 6 -1.265 19.732 -8.510 1.00 0.00 O ATOM 0 H ASP A 6 -3.983 17.821 -5.894 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.219 16.398 -7.668 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.364 18.976 -6.397 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.823 18.239 -6.006 1.00 0.00 H new ATOM 91 N VAL A 7 -2.070 16.015 -4.413 1.00 0.00 N ATOM 92 CA VAL A 7 -1.512 15.181 -3.365 1.00 0.00 C ATOM 93 C VAL A 7 -2.419 13.995 -3.052 1.00 0.00 C ATOM 94 O VAL A 7 -3.256 14.050 -2.153 1.00 0.00 O ATOM 95 CB VAL A 7 -1.206 15.963 -2.069 1.00 0.00 C ATOM 96 CG1 VAL A 7 -0.120 16.993 -2.327 1.00 0.00 C ATOM 97 CG2 VAL A 7 -2.446 16.630 -1.493 1.00 0.00 C ATOM 0 H VAL A 7 -2.807 16.649 -4.104 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.564 14.812 -3.756 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.855 15.245 -1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.089 17.540 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.786 16.490 -2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.455 17.690 -3.095 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.180 17.167 -0.583 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.854 17.330 -2.222 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.193 15.871 -1.261 1.00 0.00 H new ATOM 107 N ARG A 8 -2.259 12.931 -3.816 1.00 0.00 N ATOM 108 CA ARG A 8 -3.055 11.751 -3.658 1.00 0.00 C ATOM 109 C ARG A 8 -2.672 10.966 -2.411 1.00 0.00 C ATOM 110 O ARG A 8 -1.518 10.583 -2.227 1.00 0.00 O ATOM 111 CB ARG A 8 -2.873 10.910 -4.900 1.00 0.00 C ATOM 112 CG ARG A 8 -3.076 11.699 -6.174 1.00 0.00 C ATOM 113 CD ARG A 8 -2.078 11.274 -7.216 1.00 0.00 C ATOM 114 NE ARG A 8 -2.175 12.082 -8.432 1.00 0.00 N ATOM 115 CZ ARG A 8 -1.181 12.808 -8.938 1.00 0.00 C ATOM 116 NH1 ARG A 8 -0.014 12.889 -8.314 1.00 0.00 N ATOM 117 NH2 ARG A 8 -1.366 13.473 -10.071 1.00 0.00 N ATOM 0 H ARG A 8 -1.568 12.871 -4.564 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.101 12.031 -3.530 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.871 10.480 -4.899 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.577 10.078 -4.877 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.089 11.546 -6.547 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.969 12.765 -5.971 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.071 11.354 -6.807 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.238 10.225 -7.464 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.067 12.089 -8.927 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.130 12.391 -7.435 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.740 13.449 -8.713 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.266 13.426 -10.549 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.608 14.031 -10.464 1.00 0.00 H new ATOM 131 N THR A 9 -3.668 10.739 -1.562 1.00 0.00 N ATOM 132 CA THR A 9 -3.489 10.014 -0.318 1.00 0.00 C ATOM 133 C THR A 9 -4.836 9.770 0.363 1.00 0.00 C ATOM 134 O THR A 9 -5.170 10.425 1.351 1.00 0.00 O ATOM 135 CB THR A 9 -2.574 10.784 0.618 1.00 0.00 C ATOM 136 OG1 THR A 9 -1.802 11.740 -0.084 1.00 0.00 O ATOM 137 CG2 THR A 9 -1.619 9.901 1.385 1.00 0.00 C ATOM 0 H THR A 9 -4.624 11.056 -1.722 1.00 0.00 H new ATOM 0 HA THR A 9 -3.033 9.052 -0.550 1.00 0.00 H new ATOM 0 HB THR A 9 -3.247 11.271 1.324 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.165 11.280 -0.669 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.996 10.516 2.034 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.185 9.193 1.990 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.986 9.355 0.685 1.00 0.00 H new ATOM 145 N CYS A 10 -5.614 8.836 -0.173 1.00 0.00 N ATOM 146 CA CYS A 10 -6.928 8.530 0.386 1.00 0.00 C ATOM 147 C CYS A 10 -6.824 7.933 1.789 1.00 0.00 C ATOM 148 O CYS A 10 -7.117 8.608 2.778 1.00 0.00 O ATOM 149 CB CYS A 10 -7.690 7.578 -0.531 1.00 0.00 C ATOM 150 SG CYS A 10 -9.312 8.216 -1.065 1.00 0.00 S ATOM 0 H CYS A 10 -5.361 8.280 -0.989 1.00 0.00 H new ATOM 0 HA CYS A 10 -7.475 9.470 0.463 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -7.082 7.372 -1.412 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -7.835 6.629 -0.015 1.00 0.00 H new ATOM 155 N LEU A 11 -6.426 6.663 1.874 1.00 0.00 N ATOM 156 CA LEU A 11 -6.309 5.990 3.167 1.00 0.00 C ATOM 157 C LEU A 11 -4.864 5.619 3.482 1.00 0.00 C ATOM 158 O LEU A 11 -4.401 4.532 3.134 1.00 0.00 O ATOM 159 CB LEU A 11 -7.174 4.732 3.184 1.00 0.00 C ATOM 160 CG LEU A 11 -7.871 4.464 4.512 1.00 0.00 C ATOM 161 CD1 LEU A 11 -9.126 5.317 4.621 1.00 0.00 C ATOM 162 CD2 LEU A 11 -8.198 2.984 4.657 1.00 0.00 C ATOM 0 H LEU A 11 -6.181 6.084 1.070 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.654 6.686 3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.929 4.814 2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.550 3.874 2.936 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.199 4.736 5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.619 5.120 5.573 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.855 6.371 4.564 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.805 5.072 3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.695 2.813 5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.856 2.676 3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.277 2.402 4.618 1.00 0.00 H new ATOM 174 N PRO A 12 -4.131 6.516 4.159 1.00 0.00 N ATOM 175 CA PRO A 12 -2.738 6.278 4.516 1.00 0.00 C ATOM 176 C PRO A 12 -2.541 5.190 5.565 1.00 0.00 C ATOM 177 O PRO A 12 -3.497 4.633 6.108 1.00 0.00 O ATOM 178 CB PRO A 12 -2.247 7.621 5.065 1.00 0.00 C ATOM 179 CG PRO A 12 -3.331 8.609 4.811 1.00 0.00 C ATOM 180 CD PRO A 12 -4.601 7.828 4.626 1.00 0.00 C ATOM 0 HA PRO A 12 -2.188 5.923 3.644 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.032 7.548 6.131 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.323 7.925 4.574 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.423 9.304 5.646 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.111 9.204 3.924 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.161 7.746 5.558 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.261 8.301 3.898 1.00 0.00 H new ATOM 188 N CYS A 13 -1.271 4.921 5.849 1.00 0.00 N ATOM 189 CA CYS A 13 -0.869 3.926 6.814 1.00 0.00 C ATOM 190 C CYS A 13 0.499 4.285 7.376 1.00 0.00 C ATOM 191 O CYS A 13 1.029 5.360 7.098 1.00 0.00 O ATOM 192 CB CYS A 13 -0.815 2.545 6.165 1.00 0.00 C ATOM 193 SG CYS A 13 -0.825 1.150 7.332 1.00 0.00 S ATOM 0 H CYS A 13 -0.487 5.399 5.404 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.600 3.903 7.622 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.666 2.443 5.491 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.085 2.482 5.553 1.00 0.00 H new ATOM 198 N GLY A 14 1.083 3.377 8.139 1.00 0.00 N ATOM 199 CA GLY A 14 2.393 3.623 8.687 1.00 0.00 C ATOM 200 C GLY A 14 2.472 4.880 9.522 1.00 0.00 C ATOM 201 O GLY A 14 1.604 5.154 10.348 1.00 0.00 O ATOM 0 H GLY A 14 0.673 2.477 8.387 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.688 2.771 9.299 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.112 3.693 7.871 1.00 0.00 H new ATOM 205 N PRO A 15 3.549 5.638 9.327 1.00 0.00 N ATOM 206 CA PRO A 15 3.836 6.871 10.049 1.00 0.00 C ATOM 207 C PRO A 15 3.239 8.109 9.377 1.00 0.00 C ATOM 208 O PRO A 15 3.809 8.647 8.428 1.00 0.00 O ATOM 209 CB PRO A 15 5.359 6.884 9.972 1.00 0.00 C ATOM 210 CG PRO A 15 5.630 6.395 8.600 1.00 0.00 C ATOM 211 CD PRO A 15 4.619 5.309 8.378 1.00 0.00 C ATOM 0 HA PRO A 15 3.416 6.900 11.054 1.00 0.00 H new ATOM 0 HB2 PRO A 15 5.762 7.884 10.130 1.00 0.00 H new ATOM 0 HB3 PRO A 15 5.806 6.237 10.726 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.521 7.194 7.866 1.00 0.00 H new ATOM 0 HG3 PRO A 15 6.647 6.014 8.509 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.256 5.303 7.350 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.040 4.323 8.574 1.00 0.00 H new ATOM 219 N GLY A 16 2.087 8.554 9.876 1.00 0.00 N ATOM 220 CA GLY A 16 1.433 9.724 9.310 1.00 0.00 C ATOM 221 C GLY A 16 0.563 9.373 8.119 1.00 0.00 C ATOM 222 O GLY A 16 -0.662 9.464 8.183 1.00 0.00 O ATOM 0 H GLY A 16 1.595 8.126 10.661 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.822 10.203 10.075 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.188 10.449 9.005 1.00 0.00 H new ATOM 226 N GLY A 17 1.201 8.948 7.039 1.00 0.00 N ATOM 227 CA GLY A 17 0.491 8.558 5.847 1.00 0.00 C ATOM 228 C GLY A 17 1.421 8.159 4.734 1.00 0.00 C ATOM 229 O GLY A 17 1.151 8.381 3.553 1.00 0.00 O ATOM 0 H GLY A 17 2.216 8.867 6.971 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.173 7.726 6.078 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.137 9.384 5.514 1.00 0.00 H new ATOM 233 N LYS A 18 2.520 7.562 5.134 1.00 0.00 N ATOM 234 CA LYS A 18 3.536 7.097 4.227 1.00 0.00 C ATOM 235 C LYS A 18 3.046 5.875 3.470 1.00 0.00 C ATOM 236 O LYS A 18 3.364 5.669 2.298 1.00 0.00 O ATOM 237 CB LYS A 18 4.770 6.750 5.043 1.00 0.00 C ATOM 238 CG LYS A 18 5.826 7.824 5.092 1.00 0.00 C ATOM 239 CD LYS A 18 5.202 9.192 5.019 1.00 0.00 C ATOM 240 CE LYS A 18 6.243 10.295 5.102 1.00 0.00 C ATOM 241 NZ LYS A 18 6.651 10.778 3.750 1.00 0.00 N ATOM 0 H LYS A 18 2.734 7.384 6.115 1.00 0.00 H new ATOM 0 HA LYS A 18 3.772 7.872 3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.460 6.520 6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.215 5.843 4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.403 7.731 6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.523 7.693 4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.645 9.288 4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.485 9.308 5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.844 11.128 5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.119 9.928 5.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.081 11.721 3.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.342 10.118 3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.815 10.832 3.134 1.00 0.00 H new ATOM 255 N GLY A 19 2.259 5.083 4.165 1.00 0.00 N ATOM 256 CA GLY A 19 1.687 3.888 3.600 1.00 0.00 C ATOM 257 C GLY A 19 0.176 3.968 3.525 1.00 0.00 C ATOM 258 O GLY A 19 -0.398 5.037 3.714 1.00 0.00 O ATOM 0 H GLY A 19 2.000 5.252 5.137 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.092 3.728 2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.976 3.027 4.203 1.00 0.00 H new ATOM 262 N ARG A 20 -0.468 2.842 3.247 1.00 0.00 N ATOM 263 CA ARG A 20 -1.909 2.792 3.144 1.00 0.00 C ATOM 264 C ARG A 20 -2.408 1.362 3.298 1.00 0.00 C ATOM 265 O ARG A 20 -1.614 0.437 3.466 1.00 0.00 O ATOM 266 CB ARG A 20 -2.343 3.379 1.816 1.00 0.00 C ATOM 267 CG ARG A 20 -1.878 2.584 0.625 1.00 0.00 C ATOM 268 CD ARG A 20 -2.896 2.633 -0.500 1.00 0.00 C ATOM 269 NE ARG A 20 -2.392 3.355 -1.666 1.00 0.00 N ATOM 270 CZ ARG A 20 -2.085 4.655 -1.669 1.00 0.00 C ATOM 271 NH1 ARG A 20 -2.306 5.401 -0.597 1.00 0.00 N ATOM 272 NH2 ARG A 20 -1.583 5.220 -2.759 1.00 0.00 N ATOM 0 H ARG A 20 -0.005 1.947 3.089 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.346 3.383 3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.431 3.445 1.796 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.960 4.396 1.735 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.924 2.976 0.273 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.708 1.549 0.920 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.163 1.617 -0.791 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.807 3.113 -0.143 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.267 2.833 -2.533 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.714 4.984 0.240 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.068 6.393 -0.608 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.430 4.662 -3.599 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.350 6.213 -2.757 1.00 0.00 H new ATOM 286 N CYS A 21 -3.718 1.180 3.213 1.00 0.00 N ATOM 287 CA CYS A 21 -4.314 -0.144 3.318 1.00 0.00 C ATOM 288 C CYS A 21 -4.156 -0.884 2.005 1.00 0.00 C ATOM 289 O CYS A 21 -3.937 -0.258 0.968 1.00 0.00 O ATOM 290 CB CYS A 21 -5.787 -0.010 3.655 1.00 0.00 C ATOM 291 SG CYS A 21 -6.150 -0.001 5.436 1.00 0.00 S ATOM 0 H CYS A 21 -4.390 1.934 3.071 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.811 -0.704 4.106 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.166 0.912 3.214 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.330 -0.832 3.190 1.00 0.00 H new ATOM 296 N PHE A 22 -4.234 -2.214 2.033 1.00 0.00 N ATOM 297 CA PHE A 22 -4.059 -2.970 0.796 1.00 0.00 C ATOM 298 C PHE A 22 -5.030 -4.146 0.639 1.00 0.00 C ATOM 299 O PHE A 22 -5.899 -4.117 -0.232 1.00 0.00 O ATOM 300 CB PHE A 22 -2.603 -3.428 0.696 1.00 0.00 C ATOM 301 CG PHE A 22 -1.695 -2.292 0.334 1.00 0.00 C ATOM 302 CD1 PHE A 22 -1.383 -1.317 1.263 1.00 0.00 C ATOM 303 CD2 PHE A 22 -1.175 -2.181 -0.938 1.00 0.00 C ATOM 304 CE1 PHE A 22 -0.566 -0.261 0.924 1.00 0.00 C ATOM 305 CE2 PHE A 22 -0.356 -1.124 -1.278 1.00 0.00 C ATOM 306 CZ PHE A 22 -0.055 -0.165 -0.347 1.00 0.00 C ATOM 0 H PHE A 22 -4.411 -2.773 2.867 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.301 -2.302 -0.031 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.289 -3.857 1.647 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.519 -4.216 -0.053 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.783 -1.384 2.264 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.412 -2.931 -1.678 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.327 0.493 1.659 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.047 -1.053 -2.277 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.583 0.665 -0.612 1.00 0.00 H new ATOM 316 N GLY A 23 -4.867 -5.184 1.446 1.00 0.00 N ATOM 317 CA GLY A 23 -5.729 -6.347 1.328 1.00 0.00 C ATOM 318 C GLY A 23 -6.293 -6.841 2.651 1.00 0.00 C ATOM 319 O GLY A 23 -7.226 -6.243 3.187 1.00 0.00 O ATOM 0 H GLY A 23 -4.158 -5.244 2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.556 -6.106 0.660 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.167 -7.156 0.861 1.00 0.00 H new ATOM 323 N PRO A 24 -5.769 -7.961 3.188 1.00 0.00 N ATOM 324 CA PRO A 24 -6.247 -8.556 4.428 1.00 0.00 C ATOM 325 C PRO A 24 -5.372 -8.218 5.627 1.00 0.00 C ATOM 326 O PRO A 24 -4.271 -8.749 5.766 1.00 0.00 O ATOM 327 CB PRO A 24 -6.129 -10.038 4.095 1.00 0.00 C ATOM 328 CG PRO A 24 -4.879 -10.129 3.276 1.00 0.00 C ATOM 329 CD PRO A 24 -4.682 -8.776 2.619 1.00 0.00 C ATOM 0 HA PRO A 24 -7.240 -8.210 4.714 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.059 -10.645 4.998 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.997 -10.392 3.539 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -4.024 -10.382 3.903 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.966 -10.914 2.525 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -3.702 -8.356 2.848 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.755 -8.842 1.533 1.00 0.00 H new ATOM 337 N SER A 25 -5.857 -7.331 6.496 1.00 0.00 N ATOM 338 CA SER A 25 -5.091 -6.940 7.676 1.00 0.00 C ATOM 339 C SER A 25 -3.697 -6.495 7.274 1.00 0.00 C ATOM 340 O SER A 25 -2.765 -6.546 8.075 1.00 0.00 O ATOM 341 CB SER A 25 -4.967 -8.118 8.639 1.00 0.00 C ATOM 342 OG SER A 25 -4.926 -7.674 9.984 1.00 0.00 O ATOM 0 H SER A 25 -6.765 -6.875 6.406 1.00 0.00 H new ATOM 0 HA SER A 25 -5.615 -6.118 8.163 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.810 -8.795 8.502 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.064 -8.684 8.412 1.00 0.00 H new ATOM 0 HG SER A 25 -4.848 -8.447 10.581 1.00 0.00 H new ATOM 348 N ILE A 26 -3.548 -6.101 6.019 1.00 0.00 N ATOM 349 CA ILE A 26 -2.258 -5.706 5.510 1.00 0.00 C ATOM 350 C ILE A 26 -2.172 -4.213 5.216 1.00 0.00 C ATOM 351 O ILE A 26 -3.179 -3.516 5.042 1.00 0.00 O ATOM 352 CB ILE A 26 -1.923 -6.495 4.233 1.00 0.00 C ATOM 353 CG1 ILE A 26 -0.431 -6.697 4.081 1.00 0.00 C ATOM 354 CG2 ILE A 26 -2.431 -5.756 3.035 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.085 -7.854 3.166 1.00 0.00 C ATOM 0 H ILE A 26 -4.308 -6.049 5.340 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.534 -5.931 6.293 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.402 -7.471 4.312 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.017 -5.784 3.689 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.009 -6.872 5.063 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.192 -6.318 2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.512 -5.637 3.112 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.960 -4.774 2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.998 -7.951 3.095 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.506 -8.775 3.569 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.498 -7.670 2.174 1.00 0.00 H new ATOM 367 N CYS A 27 -0.937 -3.761 5.138 1.00 0.00 N ATOM 368 CA CYS A 27 -0.596 -2.389 4.857 1.00 0.00 C ATOM 369 C CYS A 27 0.733 -2.384 4.118 1.00 0.00 C ATOM 370 O CYS A 27 1.576 -3.248 4.357 1.00 0.00 O ATOM 371 CB CYS A 27 -0.507 -1.610 6.156 1.00 0.00 C ATOM 372 SG CYS A 27 -1.776 -0.317 6.316 1.00 0.00 S ATOM 0 H CYS A 27 -0.122 -4.359 5.273 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.357 -1.913 4.239 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.598 -2.303 6.993 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.479 -1.151 6.228 1.00 0.00 H new ATOM 377 N CYS A 28 0.912 -1.457 3.200 1.00 0.00 N ATOM 378 CA CYS A 28 2.121 -1.428 2.414 1.00 0.00 C ATOM 379 C CYS A 28 2.536 -0.006 2.063 1.00 0.00 C ATOM 380 O CYS A 28 1.945 0.606 1.176 1.00 0.00 O ATOM 381 CB CYS A 28 1.863 -2.221 1.131 1.00 0.00 C ATOM 382 SG CYS A 28 3.045 -3.560 0.770 1.00 0.00 S ATOM 0 H CYS A 28 0.240 -0.721 2.983 1.00 0.00 H new ATOM 0 HA CYS A 28 2.933 -1.866 2.994 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.863 -2.651 1.188 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.864 -1.526 0.291 1.00 0.00 H new ATOM 387 N GLY A 29 3.545 0.536 2.730 1.00 0.00 N ATOM 388 CA GLY A 29 3.966 1.839 2.398 1.00 0.00 C ATOM 389 C GLY A 29 5.082 1.773 1.382 1.00 0.00 C ATOM 390 O GLY A 29 6.122 1.179 1.664 1.00 0.00 O ATOM 0 H GLY A 29 4.062 0.085 3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.129 2.410 1.996 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.307 2.360 3.293 1.00 0.00 H new ATOM 394 N ASP A 30 4.888 2.340 0.191 1.00 0.00 N ATOM 395 CA ASP A 30 5.927 2.278 -0.835 1.00 0.00 C ATOM 396 C ASP A 30 7.177 2.913 -0.265 1.00 0.00 C ATOM 397 O ASP A 30 8.208 2.260 -0.108 1.00 0.00 O ATOM 398 CB ASP A 30 5.486 3.027 -2.093 1.00 0.00 C ATOM 399 CG ASP A 30 6.426 2.799 -3.260 1.00 0.00 C ATOM 400 OD1 ASP A 30 6.904 1.657 -3.425 1.00 0.00 O ATOM 401 OD2 ASP A 30 6.687 3.764 -4.009 1.00 0.00 O ATOM 0 H ASP A 30 4.040 2.837 -0.083 1.00 0.00 H new ATOM 0 HA ASP A 30 6.116 1.241 -1.114 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.482 2.706 -2.371 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.431 4.094 -1.877 1.00 0.00 H new ATOM 406 N GLU A 31 7.044 4.156 0.140 1.00 0.00 N ATOM 407 CA GLU A 31 8.110 4.856 0.806 1.00 0.00 C ATOM 408 C GLU A 31 8.071 4.475 2.287 1.00 0.00 C ATOM 409 O GLU A 31 8.506 5.240 3.146 1.00 0.00 O ATOM 410 CB GLU A 31 7.888 6.356 0.674 1.00 0.00 C ATOM 411 CG GLU A 31 6.542 6.796 1.243 1.00 0.00 C ATOM 412 CD GLU A 31 6.599 8.161 1.897 1.00 0.00 C ATOM 413 OE1 GLU A 31 7.692 8.557 2.355 1.00 0.00 O ATOM 414 OE2 GLU A 31 5.549 8.834 1.955 1.00 0.00 O ATOM 0 H GLU A 31 6.194 4.706 0.016 1.00 0.00 H new ATOM 0 HA GLU A 31 9.071 4.593 0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.689 6.886 1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.945 6.638 -0.377 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.802 6.812 0.443 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.204 6.062 1.974 1.00 0.00 H new ATOM 421 N LEU A 32 7.453 3.327 2.582 1.00 0.00 N ATOM 422 CA LEU A 32 7.251 2.909 3.957 1.00 0.00 C ATOM 423 C LEU A 32 7.126 1.393 4.113 1.00 0.00 C ATOM 424 O LEU A 32 6.375 0.911 4.952 1.00 0.00 O ATOM 425 CB LEU A 32 5.992 3.627 4.411 1.00 0.00 C ATOM 426 CG LEU A 32 5.510 3.439 5.842 1.00 0.00 C ATOM 427 CD1 LEU A 32 4.271 2.572 5.832 1.00 0.00 C ATOM 428 CD2 LEU A 32 6.581 2.861 6.759 1.00 0.00 C ATOM 0 H LEU A 32 7.088 2.679 1.884 1.00 0.00 H new ATOM 0 HA LEU A 32 8.115 3.167 4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.147 4.694 4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.182 3.322 3.748 1.00 0.00 H new ATOM 0 HG LEU A 32 5.273 4.421 6.251 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.917 2.431 6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.493 3.056 5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.509 1.603 5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.177 2.750 7.765 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.894 1.886 6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.439 3.532 6.784 1.00 0.00 H new ATOM 440 N GLY A 33 7.879 0.655 3.305 1.00 0.00 N ATOM 441 CA GLY A 33 7.872 -0.804 3.367 1.00 0.00 C ATOM 442 C GLY A 33 6.500 -1.413 3.603 1.00 0.00 C ATOM 443 O GLY A 33 5.487 -0.726 3.506 1.00 0.00 O ATOM 0 H GLY A 33 8.503 1.043 2.598 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.276 -1.198 2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.541 -1.125 4.165 1.00 0.00 H new ATOM 447 N CYS A 34 6.460 -2.720 3.874 1.00 0.00 N ATOM 448 CA CYS A 34 5.188 -3.406 4.065 1.00 0.00 C ATOM 449 C CYS A 34 5.092 -4.151 5.385 1.00 0.00 C ATOM 450 O CYS A 34 6.030 -4.821 5.811 1.00 0.00 O ATOM 451 CB CYS A 34 4.956 -4.394 2.931 1.00 0.00 C ATOM 452 SG CYS A 34 3.207 -4.596 2.498 1.00 0.00 S ATOM 0 H CYS A 34 7.284 -3.314 3.964 1.00 0.00 H new ATOM 0 HA CYS A 34 4.424 -2.628 4.073 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.504 -4.060 2.050 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.367 -5.363 3.214 1.00 0.00 H new ATOM 457 N PHE A 35 3.924 -4.038 6.008 1.00 0.00 N ATOM 458 CA PHE A 35 3.644 -4.713 7.271 1.00 0.00 C ATOM 459 C PHE A 35 2.294 -5.428 7.208 1.00 0.00 C ATOM 460 O PHE A 35 1.262 -4.783 7.040 1.00 0.00 O ATOM 461 CB PHE A 35 3.632 -3.710 8.425 1.00 0.00 C ATOM 462 CG PHE A 35 4.608 -2.588 8.269 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.468 -1.688 7.233 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.669 -2.442 9.147 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.359 -0.660 7.069 1.00 0.00 C ATOM 466 CE2 PHE A 35 6.572 -1.409 8.984 1.00 0.00 C ATOM 467 CZ PHE A 35 6.414 -0.517 7.940 1.00 0.00 C ATOM 0 H PHE A 35 3.148 -3.479 5.654 1.00 0.00 H new ATOM 0 HA PHE A 35 4.432 -5.447 7.442 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.629 -3.294 8.520 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.848 -4.238 9.354 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.645 -1.795 6.542 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.791 -3.139 9.963 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.233 0.039 6.255 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.399 -1.299 9.670 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.118 0.291 7.808 1.00 0.00 H new ATOM 477 N VAL A 36 2.286 -6.747 7.375 1.00 0.00 N ATOM 478 CA VAL A 36 1.026 -7.485 7.361 1.00 0.00 C ATOM 479 C VAL A 36 0.528 -7.676 8.777 1.00 0.00 C ATOM 480 O VAL A 36 1.067 -8.478 9.539 1.00 0.00 O ATOM 481 CB VAL A 36 1.130 -8.862 6.677 1.00 0.00 C ATOM 482 CG1 VAL A 36 -0.252 -9.331 6.232 1.00 0.00 C ATOM 483 CG2 VAL A 36 2.097 -8.815 5.502 1.00 0.00 C ATOM 0 H VAL A 36 3.119 -7.318 7.519 1.00 0.00 H new ATOM 0 HA VAL A 36 0.326 -6.886 6.777 1.00 0.00 H new ATOM 0 HB VAL A 36 1.523 -9.579 7.397 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.168 -10.305 5.750 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.906 -9.411 7.100 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.671 -8.612 5.528 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.152 -9.799 5.037 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.746 -8.087 4.771 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.086 -8.525 5.856 1.00 0.00 H new ATOM 493 N GLY A 37 -0.497 -6.917 9.127 1.00 0.00 N ATOM 494 CA GLY A 37 -1.051 -6.994 10.469 1.00 0.00 C ATOM 495 C GLY A 37 -0.014 -6.662 11.529 1.00 0.00 C ATOM 496 O GLY A 37 -0.143 -7.056 12.687 1.00 0.00 O ATOM 0 H GLY A 37 -0.958 -6.248 8.510 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.892 -6.305 10.555 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.441 -7.997 10.644 1.00 0.00 H new ATOM 500 N THR A 38 1.022 -5.940 11.115 1.00 0.00 N ATOM 501 CA THR A 38 2.104 -5.539 12.005 1.00 0.00 C ATOM 502 C THR A 38 1.775 -4.204 12.664 1.00 0.00 C ATOM 503 O THR A 38 0.738 -3.603 12.380 1.00 0.00 O ATOM 504 CB THR A 38 3.393 -5.407 11.199 1.00 0.00 C ATOM 505 OG1 THR A 38 3.428 -6.361 10.153 1.00 0.00 O ATOM 506 CG2 THR A 38 4.665 -5.567 12.001 1.00 0.00 C ATOM 0 H THR A 38 1.135 -5.617 10.154 1.00 0.00 H new ATOM 0 HA THR A 38 2.229 -6.294 12.781 1.00 0.00 H new ATOM 0 HB THR A 38 3.368 -4.385 10.821 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.320 -6.370 9.748 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.527 -5.457 11.342 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.703 -4.804 12.779 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.683 -6.555 12.461 1.00 0.00 H new ATOM 514 N ALA A 39 2.666 -3.730 13.526 1.00 0.00 N ATOM 515 CA ALA A 39 2.463 -2.456 14.203 1.00 0.00 C ATOM 516 C ALA A 39 2.107 -1.352 13.207 1.00 0.00 C ATOM 517 O ALA A 39 1.075 -0.705 13.330 1.00 0.00 O ATOM 518 CB ALA A 39 3.706 -2.075 14.996 1.00 0.00 C ATOM 0 H ALA A 39 3.533 -4.207 13.772 1.00 0.00 H new ATOM 0 HA ALA A 39 1.626 -2.569 14.892 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.540 -1.121 15.497 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.913 -2.844 15.740 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.556 -1.987 14.320 1.00 0.00 H new ATOM 524 N GLU A 40 2.966 -1.143 12.218 1.00 0.00 N ATOM 525 CA GLU A 40 2.738 -0.118 11.208 1.00 0.00 C ATOM 526 C GLU A 40 1.623 -0.508 10.225 1.00 0.00 C ATOM 527 O GLU A 40 1.389 0.194 9.241 1.00 0.00 O ATOM 528 CB GLU A 40 4.036 0.156 10.450 1.00 0.00 C ATOM 529 CG GLU A 40 4.729 1.443 10.870 1.00 0.00 C ATOM 530 CD GLU A 40 5.511 1.296 12.163 1.00 0.00 C ATOM 531 OE1 GLU A 40 4.928 0.817 13.157 1.00 0.00 O ATOM 532 OE2 GLU A 40 6.706 1.662 12.181 1.00 0.00 O ATOM 0 H GLU A 40 3.830 -1.671 12.094 1.00 0.00 H new ATOM 0 HA GLU A 40 2.412 0.786 11.722 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.719 -0.680 10.602 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.820 0.201 9.383 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.405 1.762 10.076 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.984 2.229 10.989 1.00 0.00 H new ATOM 539 N ALA A 41 0.958 -1.639 10.475 1.00 0.00 N ATOM 540 CA ALA A 41 -0.104 -2.109 9.590 1.00 0.00 C ATOM 541 C ALA A 41 -1.496 -1.937 10.194 1.00 0.00 C ATOM 542 O ALA A 41 -2.489 -1.886 9.467 1.00 0.00 O ATOM 543 CB ALA A 41 0.115 -3.571 9.271 1.00 0.00 C ATOM 0 H ALA A 41 1.137 -2.241 11.279 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.059 -1.501 8.687 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.678 -3.922 8.610 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.079 -3.695 8.779 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.101 -4.151 10.194 1.00 0.00 H new ATOM 549 N LEU A 42 -1.569 -1.878 11.518 1.00 0.00 N ATOM 550 CA LEU A 42 -2.846 -1.742 12.210 1.00 0.00 C ATOM 551 C LEU A 42 -3.696 -0.597 11.673 1.00 0.00 C ATOM 552 O LEU A 42 -4.900 -0.556 11.911 1.00 0.00 O ATOM 553 CB LEU A 42 -2.638 -1.579 13.719 1.00 0.00 C ATOM 554 CG LEU A 42 -1.500 -0.650 14.153 1.00 0.00 C ATOM 555 CD1 LEU A 42 -1.186 0.375 13.078 1.00 0.00 C ATOM 556 CD2 LEU A 42 -1.850 0.044 15.462 1.00 0.00 C ATOM 0 H LEU A 42 -0.758 -1.922 12.135 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.393 -2.665 12.019 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.566 -1.208 14.154 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.457 -2.565 14.147 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.610 -1.260 14.306 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.374 1.019 13.416 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.886 -0.137 12.164 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.072 0.979 12.882 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.031 0.700 15.756 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.758 0.633 15.330 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.012 -0.704 16.238 1.00 0.00 H new ATOM 568 N ARG A 43 -3.087 0.325 10.943 1.00 0.00 N ATOM 569 CA ARG A 43 -3.821 1.448 10.381 1.00 0.00 C ATOM 570 C ARG A 43 -5.074 0.984 9.644 1.00 0.00 C ATOM 571 O ARG A 43 -6.023 1.751 9.471 1.00 0.00 O ATOM 572 CB ARG A 43 -2.923 2.239 9.444 1.00 0.00 C ATOM 573 CG ARG A 43 -2.660 3.655 9.919 1.00 0.00 C ATOM 574 CD ARG A 43 -1.951 3.661 11.262 1.00 0.00 C ATOM 575 NE ARG A 43 -0.855 4.628 11.298 1.00 0.00 N ATOM 576 CZ ARG A 43 -0.671 5.514 12.276 1.00 0.00 C ATOM 577 NH1 ARG A 43 -1.502 5.563 13.309 1.00 0.00 N ATOM 578 NH2 ARG A 43 0.354 6.355 12.222 1.00 0.00 N ATOM 0 H ARG A 43 -2.090 0.318 10.727 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.137 2.089 11.204 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.972 1.717 9.336 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.382 2.274 8.456 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.053 4.182 9.182 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.603 4.195 10.000 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.667 3.896 12.049 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.562 2.664 11.471 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.189 4.624 10.525 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.291 4.918 13.360 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.352 6.245 14.052 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.999 6.322 11.433 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.497 7.034 12.970 1.00 0.00 H new ATOM 592 N CYS A 44 -5.074 -0.268 9.209 1.00 0.00 N ATOM 593 CA CYS A 44 -6.214 -0.816 8.494 1.00 0.00 C ATOM 594 C CYS A 44 -7.358 -1.159 9.437 1.00 0.00 C ATOM 595 O CYS A 44 -8.457 -1.477 8.986 1.00 0.00 O ATOM 596 CB CYS A 44 -5.803 -2.036 7.669 1.00 0.00 C ATOM 597 SG CYS A 44 -6.322 -1.967 5.920 1.00 0.00 S ATOM 0 H CYS A 44 -4.300 -0.920 9.339 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.574 -0.046 7.812 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.719 -2.140 7.711 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.227 -2.930 8.127 1.00 0.00 H new ATOM 602 N GLN A 45 -7.124 -1.057 10.743 1.00 0.00 N ATOM 603 CA GLN A 45 -8.181 -1.314 11.704 1.00 0.00 C ATOM 604 C GLN A 45 -9.329 -0.360 11.409 1.00 0.00 C ATOM 605 O GLN A 45 -10.492 -0.644 11.692 1.00 0.00 O ATOM 606 CB GLN A 45 -7.679 -1.118 13.132 1.00 0.00 C ATOM 607 CG GLN A 45 -7.682 -2.392 13.962 1.00 0.00 C ATOM 608 CD GLN A 45 -6.290 -2.941 14.196 1.00 0.00 C ATOM 609 OE1 GLN A 45 -5.942 -4.014 13.702 1.00 0.00 O ATOM 610 NE2 GLN A 45 -5.486 -2.209 14.957 1.00 0.00 N ATOM 0 H GLN A 45 -6.225 -0.802 11.151 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.516 -2.347 11.616 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.665 -0.719 13.100 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.300 -0.371 13.627 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.156 -2.193 14.923 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.286 -3.147 13.459 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.816 -1.326 15.346 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.538 -2.530 15.153 1.00 0.00 H new ATOM 619 N GLU A 46 -8.965 0.773 10.809 1.00 0.00 N ATOM 620 CA GLU A 46 -9.904 1.794 10.422 1.00 0.00 C ATOM 621 C GLU A 46 -10.669 1.362 9.176 1.00 0.00 C ATOM 622 O GLU A 46 -11.723 1.912 8.857 1.00 0.00 O ATOM 623 CB GLU A 46 -9.121 3.065 10.130 1.00 0.00 C ATOM 624 CG GLU A 46 -8.827 3.892 11.365 1.00 0.00 C ATOM 625 CD GLU A 46 -8.024 5.141 11.056 1.00 0.00 C ATOM 626 OE1 GLU A 46 -7.091 5.058 10.230 1.00 0.00 O ATOM 627 OE2 GLU A 46 -8.328 6.202 11.641 1.00 0.00 O ATOM 0 H GLU A 46 -7.997 0.998 10.581 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.623 1.964 11.223 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.180 2.800 9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.682 3.673 9.421 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.767 4.177 11.838 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.280 3.282 12.084 1.00 0.00 H new ATOM 634 N GLU A 47 -10.130 0.360 8.482 1.00 0.00 N ATOM 635 CA GLU A 47 -10.760 -0.163 7.272 1.00 0.00 C ATOM 636 C GLU A 47 -11.982 -1.016 7.606 1.00 0.00 C ATOM 637 O GLU A 47 -12.595 -1.603 6.716 1.00 0.00 O ATOM 638 CB GLU A 47 -9.756 -0.981 6.462 1.00 0.00 C ATOM 639 CG GLU A 47 -9.926 -0.834 4.957 1.00 0.00 C ATOM 640 CD GLU A 47 -10.127 -2.165 4.260 1.00 0.00 C ATOM 641 OE1 GLU A 47 -9.257 -3.049 4.409 1.00 0.00 O ATOM 642 OE2 GLU A 47 -11.153 -2.324 3.567 1.00 0.00 O ATOM 0 H GLU A 47 -9.259 -0.105 8.738 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.093 0.687 6.676 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.746 -0.677 6.737 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.856 -2.033 6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.780 -0.189 4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.047 -0.340 4.542 1.00 0.00 H new ATOM 649 N ASN A 48 -12.333 -1.082 8.889 1.00 0.00 N ATOM 650 CA ASN A 48 -13.472 -1.861 9.332 1.00 0.00 C ATOM 651 C ASN A 48 -14.786 -1.094 9.166 1.00 0.00 C ATOM 652 O ASN A 48 -15.853 -1.638 9.432 1.00 0.00 O ATOM 653 CB ASN A 48 -13.295 -2.250 10.799 1.00 0.00 C ATOM 654 CG ASN A 48 -13.226 -1.038 11.707 1.00 0.00 C ATOM 655 OD1 ASN A 48 -13.124 0.097 11.238 1.00 0.00 O ATOM 656 ND2 ASN A 48 -13.278 -1.270 13.013 1.00 0.00 N ATOM 0 H ASN A 48 -11.837 -0.600 9.639 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.521 -2.755 8.710 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.125 -2.886 11.107 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.384 -2.838 10.910 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.233 -0.492 13.671 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.363 -2.226 13.358 1.00 0.00 H new ATOM 663 N TYR A 49 -14.706 0.171 8.743 1.00 0.00 N ATOM 664 CA TYR A 49 -15.906 0.998 8.557 1.00 0.00 C ATOM 665 C TYR A 49 -15.626 2.187 7.638 1.00 0.00 C ATOM 666 O TYR A 49 -16.055 3.309 7.911 1.00 0.00 O ATOM 667 CB TYR A 49 -16.424 1.508 9.914 1.00 0.00 C ATOM 668 CG TYR A 49 -17.600 0.760 10.512 1.00 0.00 C ATOM 669 CD1 TYR A 49 -18.126 -0.355 9.899 1.00 0.00 C ATOM 670 CD2 TYR A 49 -18.182 1.187 11.699 1.00 0.00 C ATOM 671 CE1 TYR A 49 -19.200 -1.035 10.437 1.00 0.00 C ATOM 672 CE2 TYR A 49 -19.257 0.515 12.249 1.00 0.00 C ATOM 673 CZ TYR A 49 -19.762 -0.597 11.614 1.00 0.00 C ATOM 674 OH TYR A 49 -20.834 -1.270 12.157 1.00 0.00 O ATOM 0 H TYR A 49 -13.829 0.644 8.524 1.00 0.00 H new ATOM 0 HA TYR A 49 -16.667 0.372 8.091 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -15.601 1.476 10.628 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.707 2.554 9.800 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -17.688 -0.706 8.976 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -17.788 2.059 12.200 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -19.597 -1.906 9.937 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -19.699 0.860 13.172 1.00 0.00 H new ATOM 0 HH TYR A 49 -21.109 -0.831 12.989 1.00 0.00 H new ATOM 684 N LEU A 50 -14.935 1.937 6.532 1.00 0.00 N ATOM 685 CA LEU A 50 -14.640 2.984 5.574 1.00 0.00 C ATOM 686 C LEU A 50 -14.683 2.440 4.145 1.00 0.00 C ATOM 687 O LEU A 50 -14.077 1.410 3.846 1.00 0.00 O ATOM 688 CB LEU A 50 -13.284 3.630 5.865 1.00 0.00 C ATOM 689 CG LEU A 50 -12.077 2.713 5.690 1.00 0.00 C ATOM 690 CD1 LEU A 50 -11.627 2.703 4.236 1.00 0.00 C ATOM 691 CD2 LEU A 50 -10.938 3.152 6.603 1.00 0.00 C ATOM 0 H LEU A 50 -14.571 1.018 6.281 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.407 3.752 5.671 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.163 4.493 5.210 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.290 4.005 6.889 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.366 1.699 5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.765 2.045 4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.441 2.344 3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.352 3.713 3.933 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.085 2.487 6.466 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.646 4.173 6.356 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.267 3.110 7.641 1.00 0.00 H new ATOM 703 N PRO A 51 -15.418 3.119 3.243 1.00 0.00 N ATOM 704 CA PRO A 51 -15.555 2.700 1.841 1.00 0.00 C ATOM 705 C PRO A 51 -14.222 2.370 1.180 1.00 0.00 C ATOM 706 O PRO A 51 -13.164 2.482 1.797 1.00 0.00 O ATOM 707 CB PRO A 51 -16.181 3.925 1.182 1.00 0.00 C ATOM 708 CG PRO A 51 -17.006 4.515 2.263 1.00 0.00 C ATOM 709 CD PRO A 51 -16.190 4.349 3.516 1.00 0.00 C ATOM 0 HA PRO A 51 -16.140 1.785 1.748 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -15.422 4.623 0.830 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.787 3.651 0.319 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -17.218 5.566 2.067 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -17.966 4.006 2.348 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -15.538 5.205 3.691 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -16.821 4.243 4.399 1.00 0.00 H new ATOM 717 N SER A 52 -14.283 1.969 -0.086 1.00 0.00 N ATOM 718 CA SER A 52 -13.082 1.631 -0.839 1.00 0.00 C ATOM 719 C SER A 52 -12.130 2.820 -0.897 1.00 0.00 C ATOM 720 O SER A 52 -12.537 3.961 -0.678 1.00 0.00 O ATOM 721 CB SER A 52 -13.457 1.191 -2.259 1.00 0.00 C ATOM 722 OG SER A 52 -12.776 0.004 -2.634 1.00 0.00 O ATOM 0 H SER A 52 -15.152 1.870 -0.611 1.00 0.00 H new ATOM 0 HA SER A 52 -12.578 0.809 -0.331 1.00 0.00 H new ATOM 0 HB2 SER A 52 -14.533 1.028 -2.318 1.00 0.00 H new ATOM 0 HB3 SER A 52 -13.216 1.987 -2.963 1.00 0.00 H new ATOM 0 HG SER A 52 -13.038 -0.250 -3.543 1.00 0.00 H new ATOM 728 N PRO A 53 -10.844 2.574 -1.198 1.00 0.00 N ATOM 729 CA PRO A 53 -9.845 3.629 -1.285 1.00 0.00 C ATOM 730 C PRO A 53 -9.798 4.253 -2.673 1.00 0.00 C ATOM 731 O PRO A 53 -10.286 3.673 -3.642 1.00 0.00 O ATOM 732 CB PRO A 53 -8.550 2.884 -0.987 1.00 0.00 C ATOM 733 CG PRO A 53 -8.770 1.511 -1.535 1.00 0.00 C ATOM 734 CD PRO A 53 -10.259 1.248 -1.476 1.00 0.00 C ATOM 0 HA PRO A 53 -10.046 4.459 -0.608 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -7.696 3.368 -1.461 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.346 2.856 0.083 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -8.406 1.441 -2.560 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.223 0.770 -0.951 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.629 0.837 -2.415 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -10.507 0.530 -0.694 1.00 0.00 H new ATOM 742 N CYS A 54 -9.210 5.438 -2.760 1.00 0.00 N ATOM 743 CA CYS A 54 -9.098 6.149 -4.030 1.00 0.00 C ATOM 744 C CYS A 54 -7.635 6.375 -4.386 1.00 0.00 C ATOM 745 O CYS A 54 -6.747 5.742 -3.818 1.00 0.00 O ATOM 746 CB CYS A 54 -9.847 7.486 -3.961 1.00 0.00 C ATOM 747 SG CYS A 54 -9.000 8.777 -2.989 1.00 0.00 S ATOM 0 H CYS A 54 -8.802 5.930 -1.965 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.552 5.538 -4.811 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -10.001 7.855 -4.975 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -10.834 7.314 -3.531 1.00 0.00 H new ATOM 752 N GLN A 55 -7.392 7.272 -5.334 1.00 0.00 N ATOM 753 CA GLN A 55 -6.038 7.575 -5.774 1.00 0.00 C ATOM 754 C GLN A 55 -5.286 6.308 -6.173 1.00 0.00 C ATOM 755 O GLN A 55 -5.784 5.197 -6.001 1.00 0.00 O ATOM 756 CB GLN A 55 -5.265 8.326 -4.680 1.00 0.00 C ATOM 757 CG GLN A 55 -4.610 7.430 -3.633 1.00 0.00 C ATOM 758 CD GLN A 55 -3.149 7.771 -3.392 1.00 0.00 C ATOM 759 OE1 GLN A 55 -2.707 7.869 -2.250 1.00 0.00 O ATOM 760 NE2 GLN A 55 -2.390 7.948 -4.467 1.00 0.00 N ATOM 0 H GLN A 55 -8.119 7.803 -5.814 1.00 0.00 H new ATOM 0 HA GLN A 55 -6.115 8.216 -6.653 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.493 8.934 -5.152 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.948 9.011 -4.177 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.157 7.517 -2.694 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.687 6.391 -3.952 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.796 7.858 -5.398 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.401 8.174 -4.361 1.00 0.00 H new ATOM 769 N SER A 56 -4.071 6.482 -6.682 1.00 0.00 N ATOM 770 CA SER A 56 -3.243 5.352 -7.068 1.00 0.00 C ATOM 771 C SER A 56 -2.967 4.503 -5.837 1.00 0.00 C ATOM 772 O SER A 56 -3.351 4.877 -4.730 1.00 0.00 O ATOM 773 CB SER A 56 -1.929 5.834 -7.691 1.00 0.00 C ATOM 774 OG SER A 56 -1.838 7.249 -7.660 1.00 0.00 O ATOM 0 H SER A 56 -3.641 7.394 -6.836 1.00 0.00 H new ATOM 0 HA SER A 56 -3.767 4.756 -7.815 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.087 5.400 -7.152 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.862 5.485 -8.721 1.00 0.00 H new ATOM 0 HG SER A 56 -0.990 7.531 -8.062 1.00 0.00 H new ATOM 780 N GLY A 57 -2.312 3.368 -6.013 1.00 0.00 N ATOM 781 CA GLY A 57 -2.033 2.524 -4.878 1.00 0.00 C ATOM 782 C GLY A 57 -1.192 1.364 -5.261 1.00 0.00 C ATOM 783 O GLY A 57 0.027 1.484 -5.392 1.00 0.00 O ATOM 0 H GLY A 57 -1.973 3.021 -6.910 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.526 3.104 -4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.969 2.170 -4.447 1.00 0.00 H new ATOM 787 N GLN A 58 -1.827 0.237 -5.465 1.00 0.00 N ATOM 788 CA GLN A 58 -1.103 -0.920 -5.854 1.00 0.00 C ATOM 789 C GLN A 58 -0.906 -0.882 -7.356 1.00 0.00 C ATOM 790 O GLN A 58 -1.703 -1.437 -8.107 1.00 0.00 O ATOM 791 CB GLN A 58 -1.906 -2.138 -5.432 1.00 0.00 C ATOM 792 CG GLN A 58 -1.676 -2.515 -3.987 1.00 0.00 C ATOM 793 CD GLN A 58 -1.383 -3.991 -3.799 1.00 0.00 C ATOM 794 OE1 GLN A 58 -0.463 -4.536 -4.407 1.00 0.00 O ATOM 795 NE2 GLN A 58 -2.169 -4.643 -2.950 1.00 0.00 N ATOM 0 H GLN A 58 -2.834 0.108 -5.366 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.122 -0.961 -5.380 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.967 -1.941 -5.588 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.642 -2.981 -6.070 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.843 -1.932 -3.593 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.557 -2.248 -3.403 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.920 -4.149 -2.468 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.022 -5.638 -2.780 1.00 0.00 H new ATOM 804 N LYS A 59 0.170 -0.227 -7.788 1.00 0.00 N ATOM 805 CA LYS A 59 0.467 -0.125 -9.194 1.00 0.00 C ATOM 806 C LYS A 59 0.898 -1.504 -9.709 1.00 0.00 C ATOM 807 O LYS A 59 1.954 -2.009 -9.336 1.00 0.00 O ATOM 808 CB LYS A 59 1.516 0.966 -9.464 1.00 0.00 C ATOM 809 CG LYS A 59 2.727 0.930 -8.558 1.00 0.00 C ATOM 810 CD LYS A 59 2.445 1.622 -7.231 1.00 0.00 C ATOM 811 CE LYS A 59 3.496 2.660 -6.888 1.00 0.00 C ATOM 812 NZ LYS A 59 4.291 2.264 -5.692 1.00 0.00 N ATOM 0 H LYS A 59 0.842 0.236 -7.177 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.425 0.181 -9.741 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.852 0.878 -10.497 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.037 1.940 -9.367 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.018 -0.105 -8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.568 1.415 -9.052 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.466 2.100 -7.274 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.401 0.876 -6.437 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.163 2.798 -7.739 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.013 3.620 -6.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.094 2.915 -5.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.688 2.305 -4.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.647 1.295 -5.817 1.00 0.00 H new ATOM 826 N PRO A 60 0.042 -2.159 -10.513 1.00 0.00 N ATOM 827 CA PRO A 60 0.273 -3.518 -11.027 1.00 0.00 C ATOM 828 C PRO A 60 1.707 -3.892 -11.406 1.00 0.00 C ATOM 829 O PRO A 60 2.527 -3.048 -11.767 1.00 0.00 O ATOM 830 CB PRO A 60 -0.628 -3.553 -12.254 1.00 0.00 C ATOM 831 CG PRO A 60 -1.805 -2.726 -11.864 1.00 0.00 C ATOM 832 CD PRO A 60 -1.282 -1.650 -10.946 1.00 0.00 C ATOM 0 HA PRO A 60 0.063 -4.247 -10.244 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -0.125 -3.143 -13.130 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -0.922 -4.572 -12.504 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.282 -2.290 -12.742 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -2.558 -3.334 -11.361 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.193 -0.694 -11.462 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -1.946 -1.493 -10.096 1.00 0.00 H new ATOM 840 N CYS A 61 1.952 -5.215 -11.364 1.00 0.00 N ATOM 841 CA CYS A 61 3.228 -5.821 -11.734 1.00 0.00 C ATOM 842 C CYS A 61 3.049 -7.316 -12.012 1.00 0.00 C ATOM 843 O CYS A 61 2.143 -7.969 -11.476 1.00 0.00 O ATOM 844 CB CYS A 61 4.319 -5.637 -10.673 1.00 0.00 C ATOM 845 SG CYS A 61 3.723 -5.199 -9.008 1.00 0.00 S ATOM 0 H CYS A 61 1.253 -5.896 -11.067 1.00 0.00 H new ATOM 0 HA CYS A 61 3.557 -5.301 -12.634 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.894 -6.560 -10.603 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.004 -4.860 -11.011 1.00 0.00 H new ATOM 850 N GLY A 62 3.926 -7.845 -12.856 1.00 0.00 N ATOM 851 CA GLY A 62 3.872 -9.243 -13.225 1.00 0.00 C ATOM 852 C GLY A 62 4.261 -10.190 -12.104 1.00 0.00 C ATOM 853 O GLY A 62 4.351 -11.398 -12.319 1.00 0.00 O ATOM 0 H GLY A 62 4.683 -7.321 -13.296 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.861 -9.483 -13.556 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.534 -9.410 -14.075 1.00 0.00 H new ATOM 857 N SER A 63 4.506 -9.658 -10.912 1.00 0.00 N ATOM 858 CA SER A 63 4.893 -10.484 -9.792 1.00 0.00 C ATOM 859 C SER A 63 3.672 -10.953 -9.008 1.00 0.00 C ATOM 860 O SER A 63 3.583 -10.760 -7.794 1.00 0.00 O ATOM 861 CB SER A 63 5.857 -9.731 -8.876 1.00 0.00 C ATOM 862 OG SER A 63 6.595 -10.625 -8.057 1.00 0.00 O ATOM 0 H SER A 63 4.442 -8.661 -10.704 1.00 0.00 H new ATOM 0 HA SER A 63 5.402 -11.364 -10.185 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.543 -9.135 -9.478 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.298 -9.037 -8.248 1.00 0.00 H new ATOM 0 HG SER A 63 6.839 -10.176 -7.221 1.00 0.00 H new ATOM 868 N GLY A 64 2.738 -11.580 -9.714 1.00 0.00 N ATOM 869 CA GLY A 64 1.540 -12.086 -9.082 1.00 0.00 C ATOM 870 C GLY A 64 0.793 -11.040 -8.295 1.00 0.00 C ATOM 871 O GLY A 64 0.156 -11.345 -7.286 1.00 0.00 O ATOM 0 H GLY A 64 2.793 -11.746 -10.719 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.880 -12.496 -9.846 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.807 -12.908 -8.418 1.00 0.00 H new ATOM 875 N GLY A 65 0.850 -9.812 -8.764 1.00 0.00 N ATOM 876 CA GLY A 65 0.148 -8.746 -8.097 1.00 0.00 C ATOM 877 C GLY A 65 0.562 -7.362 -8.507 1.00 0.00 C ATOM 878 O GLY A 65 1.105 -7.154 -9.589 1.00 0.00 O ATOM 0 H GLY A 65 1.370 -9.533 -9.596 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.920 -8.861 -8.285 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.296 -8.850 -7.022 1.00 0.00 H new ATOM 882 N ARG A 66 0.281 -6.399 -7.643 1.00 0.00 N ATOM 883 CA ARG A 66 0.608 -5.031 -7.928 1.00 0.00 C ATOM 884 C ARG A 66 1.607 -4.492 -6.922 1.00 0.00 C ATOM 885 O ARG A 66 1.679 -4.959 -5.791 1.00 0.00 O ATOM 886 CB ARG A 66 -0.631 -4.135 -7.938 1.00 0.00 C ATOM 887 CG ARG A 66 -1.936 -4.826 -8.333 1.00 0.00 C ATOM 888 CD ARG A 66 -1.768 -5.724 -9.549 1.00 0.00 C ATOM 889 NE ARG A 66 -3.040 -6.137 -10.128 1.00 0.00 N ATOM 890 CZ ARG A 66 -3.151 -6.638 -11.357 1.00 0.00 C ATOM 891 NH1 ARG A 66 -2.070 -6.783 -12.119 1.00 0.00 N ATOM 892 NH2 ARG A 66 -4.338 -6.994 -11.828 1.00 0.00 N ATOM 0 H ARG A 66 -0.173 -6.550 -6.742 1.00 0.00 H new ATOM 0 HA ARG A 66 1.050 -5.017 -8.924 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.754 -3.703 -6.945 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.455 -3.308 -8.626 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.299 -5.419 -7.494 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.695 -4.072 -8.543 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.184 -5.199 -10.305 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.199 -6.609 -9.265 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.885 -6.038 -9.566 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.154 -6.510 -11.762 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.157 -7.167 -13.060 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.170 -6.885 -11.249 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.419 -7.377 -12.770 1.00 0.00 H new ATOM 906 N CYS A 67 2.368 -3.497 -7.347 1.00 0.00 N ATOM 907 CA CYS A 67 3.361 -2.869 -6.498 1.00 0.00 C ATOM 908 C CYS A 67 2.693 -2.273 -5.285 1.00 0.00 C ATOM 909 O CYS A 67 1.469 -2.184 -5.228 1.00 0.00 O ATOM 910 CB CYS A 67 4.107 -1.800 -7.278 1.00 0.00 C ATOM 911 SG CYS A 67 5.533 -1.077 -6.414 1.00 0.00 S ATOM 0 H CYS A 67 2.314 -3.105 -8.287 1.00 0.00 H new ATOM 0 HA CYS A 67 4.079 -3.619 -6.166 1.00 0.00 H new ATOM 0 HB2 CYS A 67 4.451 -2.231 -8.219 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.410 -1.001 -7.529 1.00 0.00 H new ATOM 916 N ALA A 68 3.485 -1.904 -4.300 1.00 0.00 N ATOM 917 CA ALA A 68 2.929 -1.356 -3.090 1.00 0.00 C ATOM 918 C ALA A 68 4.003 -0.673 -2.225 1.00 0.00 C ATOM 919 O ALA A 68 4.307 0.505 -2.407 1.00 0.00 O ATOM 920 CB ALA A 68 2.233 -2.496 -2.359 1.00 0.00 C ATOM 0 H ALA A 68 4.502 -1.974 -4.316 1.00 0.00 H new ATOM 0 HA ALA A 68 2.210 -0.570 -3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.797 -2.122 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.446 -2.907 -2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.958 -3.277 -2.129 1.00 0.00 H new ATOM 926 N ALA A 69 4.540 -1.424 -1.280 1.00 0.00 N ATOM 927 CA ALA A 69 5.568 -0.956 -0.357 1.00 0.00 C ATOM 928 C ALA A 69 6.954 -0.899 -0.992 1.00 0.00 C ATOM 929 O ALA A 69 7.091 -1.016 -2.208 1.00 0.00 O ATOM 930 CB ALA A 69 5.595 -1.829 0.876 1.00 0.00 C ATOM 0 H ALA A 69 4.271 -2.396 -1.127 1.00 0.00 H new ATOM 0 HA ALA A 69 5.305 0.065 -0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.366 -1.471 1.558 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.625 -1.789 1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.814 -2.857 0.589 1.00 0.00 H new ATOM 936 N ALA A 70 7.987 -0.685 -0.153 1.00 0.00 N ATOM 937 CA ALA A 70 9.368 -0.600 -0.640 1.00 0.00 C ATOM 938 C ALA A 70 9.619 -1.614 -1.737 1.00 0.00 C ATOM 939 O ALA A 70 9.875 -2.779 -1.452 1.00 0.00 O ATOM 940 CB ALA A 70 10.372 -0.856 0.477 1.00 0.00 C ATOM 0 H ALA A 70 7.888 -0.569 0.856 1.00 0.00 H new ATOM 0 HA ALA A 70 9.500 0.411 -1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.384 -0.785 0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.238 -0.114 1.264 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.213 -1.853 0.888 1.00 0.00 H new ATOM 946 N GLY A 71 9.508 -1.191 -2.982 1.00 0.00 N ATOM 947 CA GLY A 71 9.711 -2.111 -4.070 1.00 0.00 C ATOM 948 C GLY A 71 8.876 -3.355 -3.925 1.00 0.00 C ATOM 949 O GLY A 71 9.264 -4.434 -4.364 1.00 0.00 O ATOM 0 H GLY A 71 9.283 -0.235 -3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.466 -1.618 -5.011 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.765 -2.386 -4.119 1.00 0.00 H new ATOM 953 N ILE A 72 7.745 -3.204 -3.280 1.00 0.00 N ATOM 954 CA ILE A 72 6.857 -4.305 -3.036 1.00 0.00 C ATOM 955 C ILE A 72 5.830 -4.445 -4.146 1.00 0.00 C ATOM 956 O ILE A 72 5.430 -3.477 -4.784 1.00 0.00 O ATOM 957 CB ILE A 72 6.128 -4.140 -1.680 1.00 0.00 C ATOM 958 CG1 ILE A 72 7.099 -4.331 -0.507 1.00 0.00 C ATOM 959 CG2 ILE A 72 4.946 -5.091 -1.541 1.00 0.00 C ATOM 960 CD1 ILE A 72 7.128 -5.724 0.083 1.00 0.00 C ATOM 0 H ILE A 72 7.417 -2.311 -2.911 1.00 0.00 H new ATOM 0 HA ILE A 72 7.467 -5.208 -3.007 1.00 0.00 H new ATOM 0 HB ILE A 72 5.738 -3.122 -1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.104 -4.074 -0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.836 -3.625 0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.467 -4.937 -0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.227 -4.897 -2.337 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.297 -6.120 -1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.844 -5.756 0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.137 -5.982 0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.424 -6.438 -0.685 1.00 0.00 H new ATOM 972 N CYS A 73 5.396 -5.668 -4.317 1.00 0.00 N ATOM 973 CA CYS A 73 4.388 -6.035 -5.264 1.00 0.00 C ATOM 974 C CYS A 73 3.541 -7.052 -4.523 1.00 0.00 C ATOM 975 O CYS A 73 4.016 -8.133 -4.151 1.00 0.00 O ATOM 976 CB CYS A 73 5.002 -6.551 -6.590 1.00 0.00 C ATOM 977 SG CYS A 73 3.796 -6.916 -7.916 1.00 0.00 S ATOM 0 H CYS A 73 5.751 -6.459 -3.779 1.00 0.00 H new ATOM 0 HA CYS A 73 3.778 -5.195 -5.595 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.709 -5.807 -6.958 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.572 -7.456 -6.380 1.00 0.00 H new ATOM 982 N CYS A 74 2.338 -6.631 -4.166 1.00 0.00 N ATOM 983 CA CYS A 74 1.480 -7.446 -3.332 1.00 0.00 C ATOM 984 C CYS A 74 0.549 -8.369 -4.096 1.00 0.00 C ATOM 985 O CYS A 74 0.203 -8.128 -5.247 1.00 0.00 O ATOM 986 CB CYS A 74 0.698 -6.540 -2.398 1.00 0.00 C ATOM 987 SG CYS A 74 0.203 -7.344 -0.847 1.00 0.00 S ATOM 0 H CYS A 74 1.938 -5.734 -4.441 1.00 0.00 H new ATOM 0 HA CYS A 74 2.130 -8.115 -2.769 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.303 -5.663 -2.166 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.194 -6.184 -2.914 1.00 0.00 H new ATOM 992 N SER A 75 0.150 -9.434 -3.402 1.00 0.00 N ATOM 993 CA SER A 75 -0.737 -10.444 -3.939 1.00 0.00 C ATOM 994 C SER A 75 -1.904 -10.692 -2.982 1.00 0.00 C ATOM 995 O SER A 75 -1.993 -10.055 -1.934 1.00 0.00 O ATOM 996 CB SER A 75 0.036 -11.743 -4.192 1.00 0.00 C ATOM 997 OG SER A 75 1.335 -11.472 -4.688 1.00 0.00 O ATOM 0 H SER A 75 0.441 -9.614 -2.441 1.00 0.00 H new ATOM 0 HA SER A 75 -1.141 -10.088 -4.887 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.108 -12.314 -3.266 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.508 -12.361 -4.906 1.00 0.00 H new ATOM 0 HG SER A 75 1.297 -11.361 -5.661 1.00 0.00 H new ATOM 1003 N PRO A 76 -2.823 -11.612 -3.326 1.00 0.00 N ATOM 1004 CA PRO A 76 -3.983 -11.917 -2.484 1.00 0.00 C ATOM 1005 C PRO A 76 -3.600 -12.694 -1.225 1.00 0.00 C ATOM 1006 O PRO A 76 -4.410 -12.848 -0.311 1.00 0.00 O ATOM 1007 CB PRO A 76 -4.864 -12.800 -3.381 1.00 0.00 C ATOM 1008 CG PRO A 76 -4.282 -12.695 -4.751 1.00 0.00 C ATOM 1009 CD PRO A 76 -2.825 -12.412 -4.557 1.00 0.00 C ATOM 0 HA PRO A 76 -4.471 -11.007 -2.136 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.864 -13.833 -3.034 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.900 -12.460 -3.369 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.429 -13.619 -5.310 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.762 -11.899 -5.319 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.244 -13.328 -4.448 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -2.402 -11.864 -5.399 1.00 0.00 H new ATOM 1017 N ASP A 77 -2.361 -13.173 -1.179 1.00 0.00 N ATOM 1018 CA ASP A 77 -1.873 -13.923 -0.025 1.00 0.00 C ATOM 1019 C ASP A 77 -0.993 -13.039 0.853 1.00 0.00 C ATOM 1020 O ASP A 77 -0.881 -13.259 2.060 1.00 0.00 O ATOM 1021 CB ASP A 77 -1.080 -15.147 -0.486 1.00 0.00 C ATOM 1022 CG ASP A 77 -1.766 -16.451 -0.128 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -2.950 -16.618 -0.487 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -1.117 -17.305 0.513 1.00 0.00 O ATOM 0 H ASP A 77 -1.677 -13.056 -1.926 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.733 -14.254 0.558 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -0.939 -15.099 -1.566 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.089 -15.125 -0.033 1.00 0.00 H new ATOM 1029 N GLY A 78 -0.369 -12.041 0.236 1.00 0.00 N ATOM 1030 CA GLY A 78 0.491 -11.136 0.960 1.00 0.00 C ATOM 1031 C GLY A 78 1.444 -10.398 0.043 1.00 0.00 C ATOM 1032 O GLY A 78 1.553 -10.728 -1.138 1.00 0.00 O ATOM 0 H GLY A 78 -0.448 -11.846 -0.762 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.119 -10.415 1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.062 -11.695 1.702 1.00 0.00 H new ATOM 1036 N CYS A 79 2.138 -9.399 0.577 1.00 0.00 N ATOM 1037 CA CYS A 79 3.083 -8.641 -0.221 1.00 0.00 C ATOM 1038 C CYS A 79 4.494 -9.191 -0.066 1.00 0.00 C ATOM 1039 O CYS A 79 4.785 -9.934 0.873 1.00 0.00 O ATOM 1040 CB CYS A 79 3.070 -7.162 0.163 1.00 0.00 C ATOM 1041 SG CYS A 79 1.420 -6.468 0.511 1.00 0.00 S ATOM 0 H CYS A 79 2.063 -9.100 1.549 1.00 0.00 H new ATOM 0 HA CYS A 79 2.775 -8.738 -1.262 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.698 -7.026 1.044 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.525 -6.589 -0.645 1.00 0.00 H new ATOM 1046 N GLU A 80 5.370 -8.815 -0.990 1.00 0.00 N ATOM 1047 CA GLU A 80 6.748 -9.261 -0.949 1.00 0.00 C ATOM 1048 C GLU A 80 7.678 -8.225 -1.570 1.00 0.00 C ATOM 1049 O GLU A 80 7.284 -7.499 -2.476 1.00 0.00 O ATOM 1050 CB GLU A 80 6.890 -10.604 -1.666 1.00 0.00 C ATOM 1051 CG GLU A 80 6.595 -10.532 -3.156 1.00 0.00 C ATOM 1052 CD GLU A 80 7.628 -11.260 -3.993 1.00 0.00 C ATOM 1053 OE1 GLU A 80 8.683 -10.660 -4.286 1.00 0.00 O ATOM 1054 OE2 GLU A 80 7.382 -12.430 -4.356 1.00 0.00 O ATOM 0 H GLU A 80 5.146 -8.203 -1.774 1.00 0.00 H new ATOM 0 HA GLU A 80 7.034 -9.387 0.095 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.904 -10.978 -1.522 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.216 -11.326 -1.205 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.611 -10.959 -3.348 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.555 -9.487 -3.464 1.00 0.00 H new ATOM 1061 N GLU A 81 8.912 -8.147 -1.076 1.00 0.00 N ATOM 1062 CA GLU A 81 9.873 -7.201 -1.599 1.00 0.00 C ATOM 1063 C GLU A 81 10.206 -7.576 -3.028 1.00 0.00 C ATOM 1064 O GLU A 81 11.061 -8.428 -3.276 1.00 0.00 O ATOM 1065 CB GLU A 81 11.123 -7.175 -0.720 1.00 0.00 C ATOM 1066 CG GLU A 81 11.642 -8.546 -0.351 1.00 0.00 C ATOM 1067 CD GLU A 81 13.065 -8.782 -0.815 1.00 0.00 C ATOM 1068 OE1 GLU A 81 13.891 -7.852 -0.697 1.00 0.00 O ATOM 1069 OE2 GLU A 81 13.354 -9.896 -1.299 1.00 0.00 O ATOM 0 H GLU A 81 9.262 -8.730 -0.316 1.00 0.00 H new ATOM 0 HA GLU A 81 9.449 -6.197 -1.591 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.909 -6.628 -1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.901 -6.623 0.194 1.00 0.00 H new ATOM 0 HG2 GLU A 81 11.593 -8.668 0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.992 -9.305 -0.787 1.00 0.00 H new ATOM 1076 N ASP A 82 9.483 -6.978 -3.964 1.00 0.00 N ATOM 1077 CA ASP A 82 9.644 -7.289 -5.349 1.00 0.00 C ATOM 1078 C ASP A 82 10.653 -6.409 -6.066 1.00 0.00 C ATOM 1079 O ASP A 82 10.580 -5.183 -6.039 1.00 0.00 O ATOM 1080 CB ASP A 82 8.306 -7.164 -6.032 1.00 0.00 C ATOM 1081 CG ASP A 82 7.259 -8.037 -5.372 1.00 0.00 C ATOM 1082 OD1 ASP A 82 7.141 -9.218 -5.763 1.00 0.00 O ATOM 1083 OD2 ASP A 82 6.558 -7.549 -4.473 1.00 0.00 O ATOM 0 H ASP A 82 8.776 -6.269 -3.771 1.00 0.00 H new ATOM 0 HA ASP A 82 10.032 -8.306 -5.400 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.981 -6.124 -6.008 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.405 -7.443 -7.081 1.00 0.00 H new ATOM 1088 N PRO A 83 11.592 -7.053 -6.761 1.00 0.00 N ATOM 1089 CA PRO A 83 12.592 -6.385 -7.551 1.00 0.00 C ATOM 1090 C PRO A 83 11.929 -5.571 -8.625 1.00 0.00 C ATOM 1091 O PRO A 83 12.574 -4.875 -9.407 1.00 0.00 O ATOM 1092 CB PRO A 83 13.393 -7.536 -8.175 1.00 0.00 C ATOM 1093 CG PRO A 83 13.115 -8.698 -7.308 1.00 0.00 C ATOM 1094 CD PRO A 83 11.710 -8.490 -6.839 1.00 0.00 C ATOM 0 HA PRO A 83 13.215 -5.704 -6.971 1.00 0.00 H new ATOM 0 HB2 PRO A 83 13.081 -7.725 -9.202 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.459 -7.308 -8.202 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.216 -9.635 -7.856 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.810 -8.743 -6.470 1.00 0.00 H new ATOM 0 HD2 PRO A 83 10.987 -8.915 -7.535 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.536 -8.961 -5.871 1.00 0.00 H new ATOM 1102 N ALA A 84 10.622 -5.678 -8.649 1.00 0.00 N ATOM 1103 CA ALA A 84 9.835 -4.983 -9.588 1.00 0.00 C ATOM 1104 C ALA A 84 9.733 -3.519 -9.232 1.00 0.00 C ATOM 1105 O ALA A 84 9.445 -2.680 -10.083 1.00 0.00 O ATOM 1106 CB ALA A 84 8.475 -5.626 -9.604 1.00 0.00 C ATOM 0 H ALA A 84 10.088 -6.260 -8.003 1.00 0.00 H new ATOM 0 HA ALA A 84 10.292 -5.037 -10.576 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.838 -5.111 -10.323 1.00 0.00 H new ATOM 0 HB2 ALA A 84 8.571 -6.674 -9.889 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.030 -5.560 -8.611 1.00 0.00 H new ATOM 1112 N CYS A 85 9.902 -3.225 -7.949 1.00 0.00 N ATOM 1113 CA CYS A 85 9.753 -1.870 -7.489 1.00 0.00 C ATOM 1114 C CYS A 85 10.906 -1.286 -6.630 1.00 0.00 C ATOM 1115 O CYS A 85 10.976 -0.059 -6.538 1.00 0.00 O ATOM 1116 CB CYS A 85 8.426 -1.742 -6.739 1.00 0.00 C ATOM 1117 SG CYS A 85 7.032 -1.208 -7.768 1.00 0.00 S ATOM 0 H CYS A 85 10.139 -3.903 -7.225 1.00 0.00 H new ATOM 0 HA CYS A 85 9.779 -1.266 -8.396 1.00 0.00 H new ATOM 0 HB2 CYS A 85 8.182 -2.705 -6.290 1.00 0.00 H new ATOM 0 HB3 CYS A 85 8.552 -1.032 -5.922 1.00 0.00 H new ATOM 1122 N ASP A 86 11.800 -2.080 -5.962 1.00 0.00 N ATOM 1123 CA ASP A 86 12.833 -1.381 -5.116 1.00 0.00 C ATOM 1124 C ASP A 86 13.783 -2.157 -4.160 1.00 0.00 C ATOM 1125 O ASP A 86 14.807 -1.588 -3.781 1.00 0.00 O ATOM 1126 CB ASP A 86 12.092 -0.464 -4.150 1.00 0.00 C ATOM 1127 CG ASP A 86 12.953 0.651 -3.589 1.00 0.00 C ATOM 1128 OD1 ASP A 86 13.768 0.371 -2.685 1.00 0.00 O ATOM 1129 OD2 ASP A 86 12.800 1.804 -4.039 1.00 0.00 O ATOM 0 H ASP A 86 11.836 -3.099 -5.980 1.00 0.00 H new ATOM 0 HA ASP A 86 13.471 -0.970 -5.898 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.235 -0.027 -4.662 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.701 -1.059 -3.325 1.00 0.00 H new ATOM 1134 N PRO A 87 13.461 -3.343 -3.625 1.00 0.00 N ATOM 1135 CA PRO A 87 14.287 -3.987 -2.605 1.00 0.00 C ATOM 1136 C PRO A 87 15.119 -5.084 -3.178 1.00 0.00 C ATOM 1137 O PRO A 87 16.329 -4.967 -3.359 1.00 0.00 O ATOM 1138 CB PRO A 87 13.210 -4.555 -1.658 1.00 0.00 C ATOM 1139 CG PRO A 87 11.905 -4.327 -2.374 1.00 0.00 C ATOM 1140 CD PRO A 87 12.277 -4.142 -3.813 1.00 0.00 C ATOM 0 HA PRO A 87 15.002 -3.315 -2.131 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.374 -5.615 -1.464 1.00 0.00 H new ATOM 0 HB3 PRO A 87 13.225 -4.048 -0.693 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.232 -5.175 -2.247 1.00 0.00 H new ATOM 0 HG3 PRO A 87 11.389 -3.449 -1.984 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.479 -5.084 -4.323 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.506 -3.628 -4.387 1.00 0.00 H new ATOM 1148 N GLU A 88 14.415 -6.122 -3.532 1.00 0.00 N ATOM 1149 CA GLU A 88 15.002 -7.248 -4.182 1.00 0.00 C ATOM 1150 C GLU A 88 15.318 -6.798 -5.611 1.00 0.00 C ATOM 1151 O GLU A 88 15.953 -7.495 -6.401 1.00 0.00 O ATOM 1152 CB GLU A 88 14.008 -8.416 -4.143 1.00 0.00 C ATOM 1153 CG GLU A 88 14.645 -9.779 -4.339 1.00 0.00 C ATOM 1154 CD GLU A 88 13.613 -10.884 -4.450 1.00 0.00 C ATOM 1155 OE1 GLU A 88 13.044 -11.270 -3.407 1.00 0.00 O ATOM 1156 OE2 GLU A 88 13.371 -11.359 -5.579 1.00 0.00 O ATOM 0 H GLU A 88 13.411 -6.206 -3.374 1.00 0.00 H new ATOM 0 HA GLU A 88 15.916 -7.593 -3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.488 -8.404 -3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.255 -8.264 -4.916 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.258 -9.765 -5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.312 -9.990 -3.503 1.00 0.00 H new ATOM 1163 N ALA A 89 14.840 -5.578 -5.877 1.00 0.00 N ATOM 1164 CA ALA A 89 14.981 -4.852 -7.124 1.00 0.00 C ATOM 1165 C ALA A 89 16.372 -4.261 -7.304 1.00 0.00 C ATOM 1166 O ALA A 89 17.345 -4.674 -6.669 1.00 0.00 O ATOM 1167 CB ALA A 89 13.966 -3.721 -7.089 1.00 0.00 C ATOM 0 H ALA A 89 14.315 -5.048 -5.181 1.00 0.00 H new ATOM 0 HA ALA A 89 14.819 -5.538 -7.955 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.034 -3.143 -8.011 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.962 -4.136 -6.994 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.173 -3.072 -6.238 1.00 0.00 H new ATOM 1173 N ALA A 90 16.414 -3.243 -8.149 1.00 0.00 N ATOM 1174 CA ALA A 90 17.605 -2.481 -8.424 1.00 0.00 C ATOM 1175 C ALA A 90 17.933 -1.658 -7.195 1.00 0.00 C ATOM 1176 O ALA A 90 17.196 -1.714 -6.213 1.00 0.00 O ATOM 1177 CB ALA A 90 17.354 -1.544 -9.587 1.00 0.00 C ATOM 0 H ALA A 90 15.598 -2.922 -8.671 1.00 0.00 H new ATOM 0 HA ALA A 90 18.428 -3.152 -8.672 1.00 0.00 H new ATOM 0 HB1 ALA A 90 18.257 -0.969 -9.792 1.00 0.00 H new ATOM 0 HB2 ALA A 90 17.084 -2.124 -10.470 1.00 0.00 H new ATOM 0 HB3 ALA A 90 16.540 -0.864 -9.337 1.00 0.00 H new ATOM 1183 N PHE A 91 18.985 -0.849 -7.246 1.00 0.00 N ATOM 1184 CA PHE A 91 19.286 0.002 -6.104 1.00 0.00 C ATOM 1185 C PHE A 91 18.269 1.139 -6.115 1.00 0.00 C ATOM 1186 O PHE A 91 18.616 2.311 -6.267 1.00 0.00 O ATOM 1187 CB PHE A 91 20.706 0.574 -6.191 1.00 0.00 C ATOM 1188 CG PHE A 91 21.774 -0.461 -6.389 1.00 0.00 C ATOM 1189 CD1 PHE A 91 22.147 -1.298 -5.350 1.00 0.00 C ATOM 1190 CD2 PHE A 91 22.409 -0.594 -7.613 1.00 0.00 C ATOM 1191 CE1 PHE A 91 23.133 -2.251 -5.531 1.00 0.00 C ATOM 1192 CE2 PHE A 91 23.395 -1.543 -7.800 1.00 0.00 C ATOM 1193 CZ PHE A 91 23.758 -2.372 -6.757 1.00 0.00 C ATOM 0 H PHE A 91 19.624 -0.765 -8.037 1.00 0.00 H new ATOM 0 HA PHE A 91 19.229 -0.578 -5.183 1.00 0.00 H new ATOM 0 HB2 PHE A 91 20.749 1.287 -7.015 1.00 0.00 H new ATOM 0 HB3 PHE A 91 20.919 1.129 -5.278 1.00 0.00 H new ATOM 0 HD1 PHE A 91 21.663 -1.205 -4.389 1.00 0.00 H new ATOM 0 HD2 PHE A 91 22.129 0.053 -8.432 1.00 0.00 H new ATOM 0 HE1 PHE A 91 23.414 -2.900 -4.715 1.00 0.00 H new ATOM 0 HE2 PHE A 91 23.881 -1.636 -8.760 1.00 0.00 H new ATOM 0 HZ PHE A 91 24.530 -3.114 -6.900 1.00 0.00 H new ATOM 1203 N SER A 92 17.002 0.755 -5.979 1.00 0.00 N ATOM 1204 CA SER A 92 15.889 1.684 -5.998 1.00 0.00 C ATOM 1205 C SER A 92 15.473 2.079 -4.586 1.00 0.00 C ATOM 1206 O SER A 92 15.806 1.333 -3.642 1.00 0.00 O ATOM 1207 CB SER A 92 14.714 1.049 -6.766 1.00 0.00 C ATOM 1208 OG SER A 92 13.479 1.632 -6.387 1.00 0.00 O ATOM 1209 OXT SER A 92 14.822 3.135 -4.434 1.00 0.00 O ATOM 0 H SER A 92 16.723 -0.218 -5.852 1.00 0.00 H new ATOM 0 HA SER A 92 16.197 2.598 -6.506 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.866 1.176 -7.838 1.00 0.00 H new ATOM 0 HB3 SER A 92 14.687 -0.023 -6.573 1.00 0.00 H new ATOM 0 HG SER A 92 13.569 2.042 -5.501 1.00 0.00 H new TER 1215 SER A 92