USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 562 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 21 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 32 THR OG1 : rot 180:sc= 0.056 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 21:sc= 0.13 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 30:sc= -0.865 USER MOD Single : A 19 GLN : amide:sc= -5.21! C(o=-5.2!,f=-9.4!) USER MOD Single : A 20 MET CE :methyl 135:sc= -0.72 (180deg=-3.48!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.813 K(o=-0.81,f=-8.3!) USER MOD Single : A 27 GLN : amide:sc= -7.47! C(o=-7.5!,f=-6.5!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc=-0.00091 X(o=-0.00091,f=0) USER MOD Single : A 38 TYR OH : rot 130:sc= -1.65! USER MOD Single : A 44 LYS NZ :NH3+ -134:sc= 0.35 (180deg=-3.41!) USER MOD Single : A 49 THR OG1 : rot 98:sc= -0.253 USER MOD Single : A 52 SER OG : rot 180:sc=0.000801 USER MOD Single : A 60 LYS NZ :NH3+ 159:sc= -0.0203 (180deg=-0.193) USER MOD Single : A 61 GLN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.626 K(o=-0.63,f=-0.1) USER MOD Single : A 65 GLN : amide:sc= -17.7! C(o=-18!,f=-8.3!) USER MOD Single : A 67 ASN : amide:sc= -1.64 K(o=-1.6,f=-1.1) USER MOD Single : A 71 CYS SG : rot -79:sc= -0.838 USER MOD Single : A 72 MET CE :methyl 145:sc= 0 (180deg=-0.465) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -24.109 -19.153 -0.098 1.00 0.00 N ATOM 2 CA ALA A 1 -23.193 -19.997 -0.853 1.00 0.00 C ATOM 3 C ALA A 1 -22.062 -19.174 -1.460 1.00 0.00 C ATOM 4 O ALA A 1 -22.269 -18.422 -2.413 1.00 0.00 O ATOM 5 CB ALA A 1 -23.944 -20.749 -1.942 1.00 0.00 C ATOM 0 H1 ALA A 1 -24.869 -19.738 0.304 1.00 0.00 H new ATOM 0 H2 ALA A 1 -23.592 -18.681 0.671 1.00 0.00 H new ATOM 0 H3 ALA A 1 -24.521 -18.437 -0.729 1.00 0.00 H new ATOM 0 HA ALA A 1 -22.753 -20.719 -0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -23.247 -21.376 -2.498 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -24.712 -21.375 -1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -24.411 -20.036 -2.621 1.00 0.00 H new ATOM 11 N LEU A 2 -20.864 -19.320 -0.901 1.00 0.00 N ATOM 12 CA LEU A 2 -19.699 -18.589 -1.387 1.00 0.00 C ATOM 13 C LEU A 2 -19.955 -17.085 -1.374 1.00 0.00 C ATOM 14 O LEU A 2 -20.971 -16.623 -0.853 1.00 0.00 O ATOM 15 CB LEU A 2 -19.341 -19.044 -2.802 1.00 0.00 C ATOM 16 CG LEU A 2 -17.855 -19.013 -3.161 1.00 0.00 C ATOM 17 CD1 LEU A 2 -17.350 -20.415 -3.466 1.00 0.00 C ATOM 18 CD2 LEU A 2 -17.611 -18.087 -4.345 1.00 0.00 C ATOM 0 H LEU A 2 -20.675 -19.938 -0.112 1.00 0.00 H new ATOM 0 HA LEU A 2 -18.863 -18.802 -0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -19.706 -20.062 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -19.879 -18.415 -3.511 1.00 0.00 H new ATOM 0 HG LEU A 2 -17.302 -18.628 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -16.291 -20.373 -3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -17.489 -21.050 -2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -17.908 -20.828 -4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -16.548 -18.077 -4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -18.176 -18.442 -5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -17.934 -17.078 -4.090 1.00 0.00 H new ATOM 30 N ASP A 3 -19.030 -16.328 -1.951 1.00 0.00 N ATOM 31 CA ASP A 3 -19.156 -14.877 -2.010 1.00 0.00 C ATOM 32 C ASP A 3 -19.558 -14.311 -0.651 1.00 0.00 C ATOM 33 O ASP A 3 -20.692 -13.880 -0.440 1.00 0.00 O ATOM 34 CB ASP A 3 -20.185 -14.475 -3.067 1.00 0.00 C ATOM 35 CG ASP A 3 -19.544 -14.124 -4.395 1.00 0.00 C ATOM 36 OD1 ASP A 3 -20.172 -13.382 -5.180 1.00 0.00 O ATOM 37 OD2 ASP A 3 -18.414 -14.590 -4.649 1.00 0.00 O ATOM 0 H ASP A 3 -18.183 -16.695 -2.385 1.00 0.00 H new ATOM 0 HA ASP A 3 -18.185 -14.464 -2.284 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -20.891 -15.293 -3.212 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -20.757 -13.621 -2.706 1.00 0.00 H new ATOM 42 N PRO A 4 -18.608 -14.314 0.296 1.00 0.00 N ATOM 43 CA PRO A 4 -18.839 -13.805 1.651 1.00 0.00 C ATOM 44 C PRO A 4 -19.002 -12.290 1.682 1.00 0.00 C ATOM 45 O PRO A 4 -20.111 -11.772 1.542 1.00 0.00 O ATOM 46 CB PRO A 4 -17.573 -14.222 2.407 1.00 0.00 C ATOM 47 CG PRO A 4 -16.526 -14.339 1.355 1.00 0.00 C ATOM 48 CD PRO A 4 -17.233 -14.813 0.116 1.00 0.00 C ATOM 0 HA PRO A 4 -19.760 -14.198 2.082 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -17.298 -13.482 3.158 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -17.717 -15.168 2.929 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -16.038 -13.380 1.183 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -15.749 -15.043 1.654 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -16.774 -14.411 -0.787 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -17.208 -15.899 0.030 1.00 0.00 H new ATOM 56 N LEU A 5 -17.893 -11.583 1.865 1.00 0.00 N ATOM 57 CA LEU A 5 -17.913 -10.125 1.914 1.00 0.00 C ATOM 58 C LEU A 5 -16.780 -9.537 1.079 1.00 0.00 C ATOM 59 O LEU A 5 -16.119 -10.247 0.321 1.00 0.00 O ATOM 60 CB LEU A 5 -17.801 -9.641 3.360 1.00 0.00 C ATOM 61 CG LEU A 5 -19.061 -9.016 3.958 1.00 0.00 C ATOM 62 CD1 LEU A 5 -19.239 -9.451 5.404 1.00 0.00 C ATOM 63 CD2 LEU A 5 -19.000 -7.498 3.861 1.00 0.00 C ATOM 0 H LEU A 5 -16.968 -11.996 1.982 1.00 0.00 H new ATOM 0 HA LEU A 5 -18.861 -9.785 1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -17.508 -10.486 3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -16.995 -8.909 3.416 1.00 0.00 H new ATOM 0 HG LEU A 5 -19.922 -9.364 3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -20.141 -8.996 5.812 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -19.328 -10.536 5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -18.376 -9.133 5.989 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -19.905 -7.069 4.291 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -18.130 -7.133 4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -18.921 -7.203 2.815 1.00 0.00 H new ATOM 75 N VAL A 6 -16.559 -8.234 1.225 1.00 0.00 N ATOM 76 CA VAL A 6 -15.504 -7.550 0.487 1.00 0.00 C ATOM 77 C VAL A 6 -15.559 -6.044 0.717 1.00 0.00 C ATOM 78 O VAL A 6 -16.639 -5.455 0.776 1.00 0.00 O ATOM 79 CB VAL A 6 -15.601 -7.832 -1.024 1.00 0.00 C ATOM 80 CG1 VAL A 6 -17.030 -7.652 -1.509 1.00 0.00 C ATOM 81 CG2 VAL A 6 -14.649 -6.932 -1.796 1.00 0.00 C ATOM 0 H VAL A 6 -17.097 -7.631 1.848 1.00 0.00 H new ATOM 0 HA VAL A 6 -14.556 -7.937 0.860 1.00 0.00 H new ATOM 0 HB VAL A 6 -15.310 -8.867 -1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -17.080 -7.855 -2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -17.684 -8.343 -0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -17.352 -6.628 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -14.731 -7.145 -2.862 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.906 -5.889 -1.614 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -13.626 -7.116 -1.467 1.00 0.00 H new ATOM 91 N SER A 7 -14.390 -5.426 0.844 1.00 0.00 N ATOM 92 CA SER A 7 -14.306 -3.988 1.070 1.00 0.00 C ATOM 93 C SER A 7 -13.055 -3.408 0.417 1.00 0.00 C ATOM 94 O SER A 7 -13.135 -2.708 -0.593 1.00 0.00 O ATOM 95 CB SER A 7 -14.299 -3.686 2.570 1.00 0.00 C ATOM 96 OG SER A 7 -15.617 -3.655 3.090 1.00 0.00 O ATOM 0 H SER A 7 -13.487 -5.898 0.794 1.00 0.00 H new ATOM 0 HA SER A 7 -15.181 -3.522 0.617 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.716 -4.443 3.094 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.811 -2.728 2.749 1.00 0.00 H new ATOM 0 HG SER A 7 -16.218 -4.142 2.488 1.00 0.00 H new ATOM 102 N CYS A 8 -11.899 -3.704 1.002 1.00 0.00 N ATOM 103 CA CYS A 8 -10.630 -3.212 0.479 1.00 0.00 C ATOM 104 C CYS A 8 -10.486 -3.544 -1.004 1.00 0.00 C ATOM 105 O CYS A 8 -11.004 -4.556 -1.478 1.00 0.00 O ATOM 106 CB CYS A 8 -9.463 -3.816 1.264 1.00 0.00 C ATOM 107 SG CYS A 8 -7.872 -2.968 1.002 1.00 0.00 S ATOM 0 H CYS A 8 -11.815 -4.282 1.838 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.614 -2.128 0.593 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.704 -3.793 2.327 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.354 -4.864 0.984 1.00 0.00 H new ATOM 112 N LYS A 9 -9.780 -2.686 -1.731 1.00 0.00 N ATOM 113 CA LYS A 9 -9.566 -2.887 -3.159 1.00 0.00 C ATOM 114 C LYS A 9 -8.077 -2.982 -3.478 1.00 0.00 C ATOM 115 O LYS A 9 -7.652 -2.688 -4.597 1.00 0.00 O ATOM 116 CB LYS A 9 -10.198 -1.745 -3.956 1.00 0.00 C ATOM 117 CG LYS A 9 -11.652 -1.486 -3.602 1.00 0.00 C ATOM 118 CD LYS A 9 -11.909 -0.013 -3.335 1.00 0.00 C ATOM 119 CE LYS A 9 -13.325 0.385 -3.719 1.00 0.00 C ATOM 120 NZ LYS A 9 -14.215 0.486 -2.530 1.00 0.00 N ATOM 0 H LYS A 9 -9.346 -1.843 -1.354 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.041 -3.826 -3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.624 -0.834 -3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.127 -1.973 -5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -12.291 -1.826 -4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.922 -2.068 -2.721 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.744 0.200 -2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.196 0.589 -3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.304 1.342 -4.239 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.732 -0.348 -4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.171 0.759 -2.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.255 -0.434 -2.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.841 1.204 -1.877 1.00 0.00 H new ATOM 134 N LEU A 10 -7.290 -3.394 -2.491 1.00 0.00 N ATOM 135 CA LEU A 10 -5.848 -3.529 -2.667 1.00 0.00 C ATOM 136 C LEU A 10 -5.397 -4.959 -2.388 1.00 0.00 C ATOM 137 O LEU A 10 -4.457 -5.456 -3.008 1.00 0.00 O ATOM 138 CB LEU A 10 -5.109 -2.560 -1.743 1.00 0.00 C ATOM 139 CG LEU A 10 -5.380 -1.073 -1.975 1.00 0.00 C ATOM 140 CD1 LEU A 10 -5.062 -0.271 -0.723 1.00 0.00 C ATOM 141 CD2 LEU A 10 -4.571 -0.561 -3.158 1.00 0.00 C ATOM 0 H LEU A 10 -7.626 -3.641 -1.560 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.609 -3.288 -3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.372 -2.800 -0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.038 -2.734 -1.848 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.438 -0.948 -2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.261 0.785 -0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.685 -0.620 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.011 -0.403 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.777 0.499 -3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.508 -0.700 -2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.848 -1.115 -4.055 1.00 0.00 H new ATOM 153 N CYS A 11 -6.075 -5.617 -1.453 1.00 0.00 N ATOM 154 CA CYS A 11 -5.746 -6.990 -1.093 1.00 0.00 C ATOM 155 C CYS A 11 -6.951 -7.906 -1.287 1.00 0.00 C ATOM 156 O CYS A 11 -6.806 -9.123 -1.415 1.00 0.00 O ATOM 157 CB CYS A 11 -5.268 -7.058 0.358 1.00 0.00 C ATOM 158 SG CYS A 11 -6.564 -6.701 1.586 1.00 0.00 S ATOM 0 H CYS A 11 -6.856 -5.220 -0.931 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.944 -7.330 -1.749 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.865 -8.052 0.550 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.450 -6.351 0.493 1.00 0.00 H new ATOM 163 N LEU A 12 -8.141 -7.315 -1.306 1.00 0.00 N ATOM 164 CA LEU A 12 -9.371 -8.076 -1.484 1.00 0.00 C ATOM 165 C LEU A 12 -9.333 -9.370 -0.675 1.00 0.00 C ATOM 166 O LEU A 12 -9.130 -10.451 -1.225 1.00 0.00 O ATOM 167 CB LEU A 12 -9.589 -8.393 -2.965 1.00 0.00 C ATOM 168 CG LEU A 12 -9.733 -7.189 -3.894 1.00 0.00 C ATOM 169 CD1 LEU A 12 -11.080 -6.513 -3.689 1.00 0.00 C ATOM 170 CD2 LEU A 12 -8.599 -6.199 -3.666 1.00 0.00 C ATOM 0 H LEU A 12 -8.279 -6.310 -1.200 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.201 -7.468 -1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.752 -8.998 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.485 -9.007 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.679 -7.543 -4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.164 -5.658 -4.360 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.879 -7.222 -3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.164 -6.174 -2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.719 -5.348 -4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.621 -5.853 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.645 -6.687 -3.865 1.00 0.00 H new ATOM 182 N GLY A 13 -9.533 -9.250 0.633 1.00 0.00 N ATOM 183 CA GLY A 13 -9.519 -10.416 1.496 1.00 0.00 C ATOM 184 C GLY A 13 -10.699 -10.450 2.447 1.00 0.00 C ATOM 185 O GLY A 13 -10.688 -11.182 3.434 1.00 0.00 O ATOM 0 H GLY A 13 -9.705 -8.365 1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.525 -11.317 0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.593 -10.427 2.071 1.00 0.00 H new ATOM 189 N GLU A 14 -11.720 -9.652 2.147 1.00 0.00 N ATOM 190 CA GLU A 14 -12.913 -9.593 2.983 1.00 0.00 C ATOM 191 C GLU A 14 -12.560 -9.154 4.402 1.00 0.00 C ATOM 192 O GLU A 14 -11.747 -9.786 5.075 1.00 0.00 O ATOM 193 CB GLU A 14 -13.608 -10.954 3.018 1.00 0.00 C ATOM 194 CG GLU A 14 -14.947 -10.937 3.737 1.00 0.00 C ATOM 195 CD GLU A 14 -15.013 -11.941 4.871 1.00 0.00 C ATOM 196 OE1 GLU A 14 -16.121 -12.446 5.153 1.00 0.00 O ATOM 197 OE2 GLU A 14 -13.958 -12.223 5.477 1.00 0.00 O ATOM 0 H GLU A 14 -11.744 -9.039 1.332 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.592 -8.858 2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.759 -11.302 1.996 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.952 -11.675 3.507 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -15.131 -9.937 4.131 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -15.742 -11.149 3.022 1.00 0.00 H new ATOM 204 N TYR A 15 -13.178 -8.065 4.849 1.00 0.00 N ATOM 205 CA TYR A 15 -12.928 -7.540 6.186 1.00 0.00 C ATOM 206 C TYR A 15 -14.046 -6.596 6.619 1.00 0.00 C ATOM 207 O TYR A 15 -14.696 -5.947 5.799 1.00 0.00 O ATOM 208 CB TYR A 15 -11.584 -6.809 6.225 1.00 0.00 C ATOM 209 CG TYR A 15 -10.456 -7.579 5.579 1.00 0.00 C ATOM 210 CD1 TYR A 15 -9.816 -8.611 6.255 1.00 0.00 C ATOM 211 CD2 TYR A 15 -10.029 -7.276 4.292 1.00 0.00 C ATOM 212 CE1 TYR A 15 -8.783 -9.316 5.668 1.00 0.00 C ATOM 213 CE2 TYR A 15 -8.998 -7.977 3.697 1.00 0.00 C ATOM 214 CZ TYR A 15 -8.379 -8.997 4.389 1.00 0.00 C ATOM 215 OH TYR A 15 -7.351 -9.697 3.800 1.00 0.00 O ATOM 0 H TYR A 15 -13.855 -7.530 4.305 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.898 -8.380 6.880 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.689 -5.847 5.724 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -11.323 -6.601 7.263 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -10.131 -8.866 7.256 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -10.512 -6.478 3.747 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.294 -10.113 6.208 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.679 -7.728 2.696 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.337 -10.613 4.148 1.00 0.00 H new ATOM 225 N PRO A 16 -14.276 -6.519 7.937 1.00 0.00 N ATOM 226 CA PRO A 16 -15.314 -5.658 8.510 1.00 0.00 C ATOM 227 C PRO A 16 -14.974 -4.177 8.383 1.00 0.00 C ATOM 228 O PRO A 16 -13.810 -3.807 8.230 1.00 0.00 O ATOM 229 CB PRO A 16 -15.348 -6.074 9.983 1.00 0.00 C ATOM 230 CG PRO A 16 -13.989 -6.621 10.253 1.00 0.00 C ATOM 231 CD PRO A 16 -13.539 -7.266 8.971 1.00 0.00 C ATOM 0 HA PRO A 16 -16.269 -5.776 7.998 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -15.569 -5.224 10.629 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -16.119 -6.822 10.165 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.302 -5.829 10.553 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -14.015 -7.346 11.066 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -12.461 -7.182 8.836 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.781 -8.328 8.949 1.00 0.00 H new ATOM 239 N VAL A 17 -15.999 -3.331 8.448 1.00 0.00 N ATOM 240 CA VAL A 17 -15.808 -1.890 8.342 1.00 0.00 C ATOM 241 C VAL A 17 -15.046 -1.346 9.545 1.00 0.00 C ATOM 242 O VAL A 17 -14.684 -0.171 9.583 1.00 0.00 O ATOM 243 CB VAL A 17 -17.155 -1.152 8.226 1.00 0.00 C ATOM 244 CG1 VAL A 17 -17.561 -0.567 9.570 1.00 0.00 C ATOM 245 CG2 VAL A 17 -17.079 -0.068 7.163 1.00 0.00 C ATOM 0 H VAL A 17 -16.969 -3.620 8.574 1.00 0.00 H new ATOM 0 HA VAL A 17 -15.226 -1.714 7.437 1.00 0.00 H new ATOM 0 HB VAL A 17 -17.918 -1.870 7.925 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -18.515 -0.049 9.468 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.660 -1.369 10.301 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -16.800 0.138 9.905 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -18.039 0.443 7.095 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.304 0.650 7.431 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -16.839 -0.519 6.200 1.00 0.00 H new ATOM 255 N GLU A 18 -14.805 -2.211 10.526 1.00 0.00 N ATOM 256 CA GLU A 18 -14.086 -1.816 11.731 1.00 0.00 C ATOM 257 C GLU A 18 -12.606 -2.172 11.623 1.00 0.00 C ATOM 258 O GLU A 18 -11.765 -1.586 12.303 1.00 0.00 O ATOM 259 CB GLU A 18 -14.695 -2.493 12.962 1.00 0.00 C ATOM 260 CG GLU A 18 -16.005 -1.869 13.413 1.00 0.00 C ATOM 261 CD GLU A 18 -17.075 -2.903 13.701 1.00 0.00 C ATOM 262 OE1 GLU A 18 -16.750 -3.936 14.322 1.00 0.00 O ATOM 263 OE2 GLU A 18 -18.238 -2.680 13.305 1.00 0.00 O ATOM 0 H GLU A 18 -15.097 -3.188 10.509 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.176 -0.735 11.838 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.861 -3.547 12.742 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.979 -2.448 13.783 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -15.830 -1.274 14.309 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.363 -1.187 12.642 1.00 0.00 H new ATOM 270 N GLN A 19 -12.297 -3.137 10.763 1.00 0.00 N ATOM 271 CA GLN A 19 -10.920 -3.572 10.566 1.00 0.00 C ATOM 272 C GLN A 19 -10.265 -2.806 9.422 1.00 0.00 C ATOM 273 O GLN A 19 -9.240 -3.228 8.885 1.00 0.00 O ATOM 274 CB GLN A 19 -10.873 -5.075 10.282 1.00 0.00 C ATOM 275 CG GLN A 19 -11.091 -5.935 11.517 1.00 0.00 C ATOM 276 CD GLN A 19 -11.931 -5.240 12.570 1.00 0.00 C ATOM 277 OE1 GLN A 19 -13.129 -5.495 12.693 1.00 0.00 O ATOM 278 NE2 GLN A 19 -11.305 -4.356 13.340 1.00 0.00 N ATOM 0 H GLN A 19 -12.982 -3.632 10.192 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.366 -3.365 11.482 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.633 -5.320 9.540 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.907 -5.323 9.843 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.577 -6.866 11.226 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.125 -6.201 11.945 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.310 -4.175 13.204 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.819 -3.859 14.067 1.00 0.00 H new ATOM 287 N MET A 20 -10.864 -1.679 9.051 1.00 0.00 N ATOM 288 CA MET A 20 -10.338 -0.854 7.971 1.00 0.00 C ATOM 289 C MET A 20 -10.187 0.597 8.418 1.00 0.00 C ATOM 290 O MET A 20 -10.576 0.959 9.529 1.00 0.00 O ATOM 291 CB MET A 20 -11.256 -0.930 6.749 1.00 0.00 C ATOM 292 CG MET A 20 -12.239 -2.087 6.800 1.00 0.00 C ATOM 293 SD MET A 20 -12.778 -2.613 5.161 1.00 0.00 S ATOM 294 CE MET A 20 -11.220 -3.122 4.440 1.00 0.00 C ATOM 0 H MET A 20 -11.714 -1.317 9.483 1.00 0.00 H new ATOM 0 HA MET A 20 -9.354 -1.237 7.702 1.00 0.00 H new ATOM 0 HB2 MET A 20 -11.811 0.004 6.663 1.00 0.00 H new ATOM 0 HB3 MET A 20 -10.645 -1.022 5.851 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.776 -2.930 7.314 1.00 0.00 H new ATOM 0 HG3 MET A 20 -13.109 -1.794 7.388 1.00 0.00 H new ATOM 0 HE1 MET A 20 -11.350 -4.075 3.928 1.00 0.00 H new ATOM 0 HE2 MET A 20 -10.886 -2.369 3.726 1.00 0.00 H new ATOM 0 HE3 MET A 20 -10.474 -3.232 5.227 1.00 0.00 H new ATOM 304 N THR A 21 -9.619 1.424 7.546 1.00 0.00 N ATOM 305 CA THR A 21 -9.416 2.835 7.852 1.00 0.00 C ATOM 306 C THR A 21 -9.914 3.721 6.716 1.00 0.00 C ATOM 307 O THR A 21 -9.771 3.382 5.541 1.00 0.00 O ATOM 308 CB THR A 21 -7.930 3.144 8.116 1.00 0.00 C ATOM 309 OG1 THR A 21 -7.509 2.524 9.334 1.00 0.00 O ATOM 310 CG2 THR A 21 -7.696 4.645 8.197 1.00 0.00 C ATOM 0 H THR A 21 -9.291 1.141 6.622 1.00 0.00 H new ATOM 0 HA THR A 21 -9.990 3.049 8.754 1.00 0.00 H new ATOM 0 HB THR A 21 -7.346 2.745 7.286 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.563 2.724 9.493 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.640 4.839 8.384 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.989 5.110 7.256 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.291 5.063 9.009 1.00 0.00 H new ATOM 318 N THR A 22 -10.500 4.861 7.073 1.00 0.00 N ATOM 319 CA THR A 22 -11.020 5.796 6.085 1.00 0.00 C ATOM 320 C THR A 22 -9.890 6.569 5.412 1.00 0.00 C ATOM 321 O THR A 22 -8.798 6.695 5.965 1.00 0.00 O ATOM 322 CB THR A 22 -12.004 6.795 6.719 1.00 0.00 C ATOM 323 OG1 THR A 22 -13.065 6.090 7.375 1.00 0.00 O ATOM 324 CG2 THR A 22 -12.583 7.728 5.667 1.00 0.00 C ATOM 0 H THR A 22 -10.626 5.158 8.041 1.00 0.00 H new ATOM 0 HA THR A 22 -11.548 5.204 5.337 1.00 0.00 H new ATOM 0 HB THR A 22 -11.459 7.392 7.450 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.686 6.733 7.777 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.275 8.424 6.140 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.776 8.285 5.191 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.113 7.144 4.915 1.00 0.00 H new ATOM 332 N ILE A 23 -10.162 7.083 4.218 1.00 0.00 N ATOM 333 CA ILE A 23 -9.170 7.847 3.471 1.00 0.00 C ATOM 334 C ILE A 23 -8.980 9.236 4.071 1.00 0.00 C ATOM 335 O ILE A 23 -8.062 9.463 4.859 1.00 0.00 O ATOM 336 CB ILE A 23 -9.565 7.989 1.990 1.00 0.00 C ATOM 337 CG1 ILE A 23 -9.532 6.624 1.298 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.639 8.968 1.286 1.00 0.00 C ATOM 339 CD1 ILE A 23 -8.211 5.903 1.448 1.00 0.00 C ATOM 0 H ILE A 23 -11.061 6.985 3.747 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.233 7.294 3.536 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.582 8.379 1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.326 5.999 1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.745 6.758 0.238 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.931 9.057 0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.708 9.944 1.767 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.613 8.606 1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.260 4.943 0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.415 6.508 1.014 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.005 5.737 2.505 1.00 0.00 H new ATOM 351 N ALA A 24 -9.854 10.162 3.691 1.00 0.00 N ATOM 352 CA ALA A 24 -9.785 11.529 4.194 1.00 0.00 C ATOM 353 C ALA A 24 -10.585 12.480 3.309 1.00 0.00 C ATOM 354 O ALA A 24 -11.309 13.342 3.806 1.00 0.00 O ATOM 355 CB ALA A 24 -8.337 11.984 4.288 1.00 0.00 C ATOM 0 H ALA A 24 -10.618 9.991 3.037 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.225 11.546 5.191 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.301 13.006 4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.793 11.327 4.967 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.879 11.945 3.300 1.00 0.00 H new ATOM 361 N GLN A 25 -10.447 12.317 1.998 1.00 0.00 N ATOM 362 CA GLN A 25 -11.156 13.163 1.044 1.00 0.00 C ATOM 363 C GLN A 25 -12.356 12.430 0.454 1.00 0.00 C ATOM 364 O GLN A 25 -13.481 12.927 0.494 1.00 0.00 O ATOM 365 CB GLN A 25 -10.212 13.607 -0.075 1.00 0.00 C ATOM 366 CG GLN A 25 -9.804 15.069 0.019 1.00 0.00 C ATOM 367 CD GLN A 25 -8.896 15.346 1.200 1.00 0.00 C ATOM 368 OE1 GLN A 25 -9.027 14.729 2.257 1.00 0.00 O ATOM 369 NE2 GLN A 25 -7.967 16.279 1.027 1.00 0.00 N ATOM 0 H GLN A 25 -9.851 11.607 1.571 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.517 14.044 1.575 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.316 12.986 -0.052 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.695 13.434 -1.037 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.297 15.361 -0.901 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.698 15.687 0.100 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.894 16.766 0.134 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.327 16.508 1.787 1.00 0.00 H new ATOM 378 N CYS A 26 -12.108 11.246 -0.095 1.00 0.00 N ATOM 379 CA CYS A 26 -13.167 10.444 -0.696 1.00 0.00 C ATOM 380 C CYS A 26 -13.922 9.653 0.370 1.00 0.00 C ATOM 381 O CYS A 26 -15.132 9.462 0.272 1.00 0.00 O ATOM 382 CB CYS A 26 -12.583 9.488 -1.738 1.00 0.00 C ATOM 383 SG CYS A 26 -11.354 8.321 -1.070 1.00 0.00 S ATOM 0 H CYS A 26 -11.182 10.820 -0.136 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.867 11.121 -1.186 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.396 8.922 -2.192 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.119 10.073 -2.532 1.00 0.00 H new ATOM 388 N GLN A 27 -13.195 9.197 1.385 1.00 0.00 N ATOM 389 CA GLN A 27 -13.795 8.428 2.468 1.00 0.00 C ATOM 390 C GLN A 27 -14.015 6.978 2.049 1.00 0.00 C ATOM 391 O GLN A 27 -15.070 6.398 2.312 1.00 0.00 O ATOM 392 CB GLN A 27 -15.124 9.055 2.893 1.00 0.00 C ATOM 393 CG GLN A 27 -15.099 10.575 2.915 1.00 0.00 C ATOM 394 CD GLN A 27 -13.814 11.130 3.498 1.00 0.00 C ATOM 395 OE1 GLN A 27 -13.335 12.185 3.082 1.00 0.00 O ATOM 396 NE2 GLN A 27 -13.246 10.418 4.465 1.00 0.00 N ATOM 0 H GLN A 27 -12.191 9.347 1.480 1.00 0.00 H new ATOM 0 HA GLN A 27 -13.108 8.443 3.314 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.908 8.722 2.212 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -15.388 8.690 3.885 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.225 10.951 1.900 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.945 10.940 3.497 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.678 9.549 4.779 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.378 10.740 4.893 1.00 0.00 H new ATOM 405 N CYS A 28 -13.015 6.398 1.394 1.00 0.00 N ATOM 406 CA CYS A 28 -13.099 5.016 0.937 1.00 0.00 C ATOM 407 C CYS A 28 -12.784 4.048 2.073 1.00 0.00 C ATOM 408 O CYS A 28 -12.608 4.457 3.221 1.00 0.00 O ATOM 409 CB CYS A 28 -12.135 4.783 -0.228 1.00 0.00 C ATOM 410 SG CYS A 28 -12.695 5.496 -1.809 1.00 0.00 S ATOM 0 H CYS A 28 -12.136 6.864 1.168 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.119 4.832 0.599 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.164 5.208 0.027 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.989 3.710 -0.356 1.00 0.00 H new ATOM 415 N ILE A 29 -12.714 2.761 1.744 1.00 0.00 N ATOM 416 CA ILE A 29 -12.419 1.735 2.735 1.00 0.00 C ATOM 417 C ILE A 29 -11.198 0.915 2.331 1.00 0.00 C ATOM 418 O ILE A 29 -11.150 0.349 1.239 1.00 0.00 O ATOM 419 CB ILE A 29 -13.615 0.787 2.937 1.00 0.00 C ATOM 420 CG1 ILE A 29 -13.656 0.282 4.382 1.00 0.00 C ATOM 421 CG2 ILE A 29 -13.537 -0.380 1.965 1.00 0.00 C ATOM 422 CD1 ILE A 29 -14.091 1.334 5.378 1.00 0.00 C ATOM 0 H ILE A 29 -12.858 2.406 0.799 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.213 2.252 3.672 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.534 1.339 2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.337 -0.567 4.442 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -12.667 -0.082 4.659 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.390 -1.041 2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.552 -0.003 0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.613 -0.933 2.134 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.097 0.906 6.380 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -13.397 2.174 5.346 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -15.093 1.681 5.126 1.00 0.00 H new ATOM 434 N PHE A 30 -10.212 0.854 3.220 1.00 0.00 N ATOM 435 CA PHE A 30 -8.990 0.103 2.957 1.00 0.00 C ATOM 436 C PHE A 30 -8.353 -0.372 4.260 1.00 0.00 C ATOM 437 O PHE A 30 -8.211 0.396 5.212 1.00 0.00 O ATOM 438 CB PHE A 30 -7.996 0.963 2.173 1.00 0.00 C ATOM 439 CG PHE A 30 -8.473 1.324 0.796 1.00 0.00 C ATOM 440 CD1 PHE A 30 -9.103 2.536 0.562 1.00 0.00 C ATOM 441 CD2 PHE A 30 -8.292 0.452 -0.266 1.00 0.00 C ATOM 442 CE1 PHE A 30 -9.543 2.873 -0.704 1.00 0.00 C ATOM 443 CE2 PHE A 30 -8.729 0.784 -1.534 1.00 0.00 C ATOM 444 CZ PHE A 30 -9.357 1.995 -1.754 1.00 0.00 C ATOM 0 H PHE A 30 -10.235 1.316 4.129 1.00 0.00 H new ATOM 0 HA PHE A 30 -9.251 -0.771 2.361 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.799 1.878 2.732 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.049 0.428 2.093 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.252 3.226 1.379 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.804 -0.497 -0.101 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.032 3.821 -0.872 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.580 0.097 -2.354 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.701 2.254 -2.744 1.00 0.00 H new ATOM 454 N CYS A 31 -7.970 -1.644 4.295 1.00 0.00 N ATOM 455 CA CYS A 31 -7.349 -2.224 5.479 1.00 0.00 C ATOM 456 C CYS A 31 -6.023 -1.536 5.790 1.00 0.00 C ATOM 457 O CYS A 31 -5.157 -1.410 4.923 1.00 0.00 O ATOM 458 CB CYS A 31 -7.123 -3.724 5.280 1.00 0.00 C ATOM 459 SG CYS A 31 -5.731 -4.126 4.176 1.00 0.00 S ATOM 0 H CYS A 31 -8.079 -2.293 3.516 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.023 -2.074 6.322 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.948 -4.186 6.251 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.033 -4.167 4.876 1.00 0.00 H new ATOM 464 N THR A 32 -5.870 -1.091 7.034 1.00 0.00 N ATOM 465 CA THR A 32 -4.651 -0.415 7.459 1.00 0.00 C ATOM 466 C THR A 32 -3.429 -0.986 6.748 1.00 0.00 C ATOM 467 O THR A 32 -2.604 -0.242 6.215 1.00 0.00 O ATOM 468 CB THR A 32 -4.447 -0.531 8.981 1.00 0.00 C ATOM 469 OG1 THR A 32 -5.715 -0.569 9.644 1.00 0.00 O ATOM 470 CG2 THR A 32 -3.629 0.638 9.508 1.00 0.00 C ATOM 0 H THR A 32 -6.576 -1.187 7.764 1.00 0.00 H new ATOM 0 HA THR A 32 -4.763 0.636 7.194 1.00 0.00 H new ATOM 0 HB THR A 32 -3.904 -1.454 9.183 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.576 -0.645 10.611 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.498 0.534 10.585 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.653 0.647 9.023 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.149 1.572 9.294 1.00 0.00 H new ATOM 478 N LEU A 33 -3.318 -2.309 6.744 1.00 0.00 N ATOM 479 CA LEU A 33 -2.196 -2.980 6.097 1.00 0.00 C ATOM 480 C LEU A 33 -1.838 -2.298 4.780 1.00 0.00 C ATOM 481 O LEU A 33 -0.780 -1.683 4.655 1.00 0.00 O ATOM 482 CB LEU A 33 -2.531 -4.452 5.847 1.00 0.00 C ATOM 483 CG LEU A 33 -1.784 -5.467 6.714 1.00 0.00 C ATOM 484 CD1 LEU A 33 -2.638 -6.705 6.942 1.00 0.00 C ATOM 485 CD2 LEU A 33 -0.458 -5.843 6.070 1.00 0.00 C ATOM 0 H LEU A 33 -3.991 -2.939 7.181 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.335 -2.917 6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.601 -4.591 6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.326 -4.678 4.800 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.579 -5.009 7.682 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.090 -7.416 7.561 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.562 -6.422 7.446 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.874 -7.166 5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.060 -6.566 6.700 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.641 -6.282 5.089 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.158 -4.951 5.959 1.00 0.00 H new ATOM 497 N CYS A 34 -2.730 -2.410 3.801 1.00 0.00 N ATOM 498 CA CYS A 34 -2.511 -1.802 2.494 1.00 0.00 C ATOM 499 C CYS A 34 -2.396 -0.285 2.612 1.00 0.00 C ATOM 500 O CYS A 34 -1.360 0.297 2.288 1.00 0.00 O ATOM 501 CB CYS A 34 -3.651 -2.167 1.541 1.00 0.00 C ATOM 502 SG CYS A 34 -4.024 -3.949 1.475 1.00 0.00 S ATOM 0 H CYS A 34 -3.611 -2.916 3.888 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.574 -2.189 2.093 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.550 -1.630 1.844 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.397 -1.823 0.539 1.00 0.00 H new ATOM 507 N LEU A 35 -3.468 0.349 3.076 1.00 0.00 N ATOM 508 CA LEU A 35 -3.487 1.798 3.237 1.00 0.00 C ATOM 509 C LEU A 35 -2.244 2.282 3.976 1.00 0.00 C ATOM 510 O LEU A 35 -1.891 3.460 3.914 1.00 0.00 O ATOM 511 CB LEU A 35 -4.745 2.229 3.994 1.00 0.00 C ATOM 512 CG LEU A 35 -5.020 3.733 4.038 1.00 0.00 C ATOM 513 CD1 LEU A 35 -5.501 4.227 2.683 1.00 0.00 C ATOM 514 CD2 LEU A 35 -6.041 4.056 5.119 1.00 0.00 C ATOM 0 H LEU A 35 -4.334 -0.117 3.347 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.494 2.249 2.245 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.605 1.736 3.540 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.672 1.863 5.018 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.090 4.247 4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.692 5.299 2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.737 4.029 1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.420 3.707 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.225 5.130 5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.973 3.532 4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.658 3.738 6.088 1.00 0.00 H new ATOM 526 N LYS A 36 -1.583 1.365 4.674 1.00 0.00 N ATOM 527 CA LYS A 36 -0.377 1.697 5.424 1.00 0.00 C ATOM 528 C LYS A 36 0.870 1.472 4.574 1.00 0.00 C ATOM 529 O LYS A 36 1.529 2.424 4.162 1.00 0.00 O ATOM 530 CB LYS A 36 -0.297 0.853 6.699 1.00 0.00 C ATOM 531 CG LYS A 36 0.974 1.081 7.498 1.00 0.00 C ATOM 532 CD LYS A 36 1.484 -0.211 8.115 1.00 0.00 C ATOM 533 CE LYS A 36 2.585 -0.835 7.271 1.00 0.00 C ATOM 534 NZ LYS A 36 3.783 -1.176 8.088 1.00 0.00 N ATOM 0 H LYS A 36 -1.862 0.386 4.736 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.426 2.752 5.696 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.158 1.078 7.329 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.364 -0.202 6.432 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.742 1.503 6.850 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.784 1.811 8.285 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.861 -0.012 9.118 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.659 -0.916 8.219 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.206 -1.736 6.788 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.871 -0.144 6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.511 -1.599 7.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.160 -0.313 8.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.516 -1.855 8.829 1.00 0.00 H new ATOM 548 N GLN A 37 1.185 0.206 4.315 1.00 0.00 N ATOM 549 CA GLN A 37 2.352 -0.141 3.515 1.00 0.00 C ATOM 550 C GLN A 37 2.497 0.804 2.325 1.00 0.00 C ATOM 551 O GLN A 37 3.595 0.992 1.801 1.00 0.00 O ATOM 552 CB GLN A 37 2.247 -1.585 3.022 1.00 0.00 C ATOM 553 CG GLN A 37 3.561 -2.346 3.082 1.00 0.00 C ATOM 554 CD GLN A 37 3.427 -3.782 2.618 1.00 0.00 C ATOM 555 OE1 GLN A 37 4.081 -4.202 1.663 1.00 0.00 O ATOM 556 NE2 GLN A 37 2.576 -4.546 3.293 1.00 0.00 N ATOM 0 H GLN A 37 0.648 -0.595 4.648 1.00 0.00 H new ATOM 0 HA GLN A 37 3.236 -0.042 4.145 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.504 -2.112 3.621 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.884 -1.584 1.994 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.300 -1.836 2.464 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.937 -2.333 4.105 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.054 -4.157 4.078 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.444 -5.522 3.026 1.00 0.00 H new ATOM 565 N TYR A 38 1.385 1.396 1.907 1.00 0.00 N ATOM 566 CA TYR A 38 1.388 2.319 0.779 1.00 0.00 C ATOM 567 C TYR A 38 1.777 3.725 1.227 1.00 0.00 C ATOM 568 O TYR A 38 2.856 4.218 0.898 1.00 0.00 O ATOM 569 CB TYR A 38 0.011 2.348 0.112 1.00 0.00 C ATOM 570 CG TYR A 38 -0.396 3.719 -0.378 1.00 0.00 C ATOM 571 CD1 TYR A 38 0.349 4.382 -1.345 1.00 0.00 C ATOM 572 CD2 TYR A 38 -1.525 4.351 0.127 1.00 0.00 C ATOM 573 CE1 TYR A 38 -0.019 5.636 -1.795 1.00 0.00 C ATOM 574 CE2 TYR A 38 -1.902 5.604 -0.319 1.00 0.00 C ATOM 575 CZ TYR A 38 -1.146 6.242 -1.279 1.00 0.00 C ATOM 576 OH TYR A 38 -1.516 7.490 -1.723 1.00 0.00 O ATOM 0 H TYR A 38 0.469 1.253 2.333 1.00 0.00 H new ATOM 0 HA TYR A 38 2.127 1.969 0.058 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.010 1.655 -0.730 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -0.735 1.989 0.821 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.231 3.910 -1.752 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -2.118 3.855 0.881 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.572 6.139 -2.546 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.784 6.080 0.083 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.463 7.481 -1.973 1.00 0.00 H new ATOM 586 N VAL A 39 0.890 4.366 1.982 1.00 0.00 N ATOM 587 CA VAL A 39 1.140 5.714 2.477 1.00 0.00 C ATOM 588 C VAL A 39 2.432 5.772 3.282 1.00 0.00 C ATOM 589 O VAL A 39 3.276 6.640 3.059 1.00 0.00 O ATOM 590 CB VAL A 39 -0.023 6.213 3.356 1.00 0.00 C ATOM 591 CG1 VAL A 39 -1.350 6.044 2.631 1.00 0.00 C ATOM 592 CG2 VAL A 39 -0.036 5.481 4.688 1.00 0.00 C ATOM 0 H VAL A 39 -0.008 3.973 2.264 1.00 0.00 H new ATOM 0 HA VAL A 39 1.230 6.361 1.604 1.00 0.00 H new ATOM 0 HB VAL A 39 0.123 7.275 3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.160 6.402 3.267 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.335 6.619 1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.507 4.990 2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.864 5.846 5.296 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.157 4.412 4.514 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.904 5.659 5.210 1.00 0.00 H new ATOM 602 N GLU A 40 2.581 4.843 4.221 1.00 0.00 N ATOM 603 CA GLU A 40 3.771 4.789 5.061 1.00 0.00 C ATOM 604 C GLU A 40 5.006 5.236 4.283 1.00 0.00 C ATOM 605 O GLU A 40 5.641 6.236 4.623 1.00 0.00 O ATOM 606 CB GLU A 40 3.980 3.373 5.601 1.00 0.00 C ATOM 607 CG GLU A 40 4.717 3.329 6.928 1.00 0.00 C ATOM 608 CD GLU A 40 6.126 2.784 6.795 1.00 0.00 C ATOM 609 OE1 GLU A 40 6.979 3.132 7.638 1.00 0.00 O ATOM 610 OE2 GLU A 40 6.376 2.009 5.848 1.00 0.00 O ATOM 0 H GLU A 40 1.892 4.117 4.419 1.00 0.00 H new ATOM 0 HA GLU A 40 3.623 5.470 5.899 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.009 2.891 5.718 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.537 2.792 4.866 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.758 4.333 7.350 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.157 2.711 7.630 1.00 0.00 H new ATOM 617 N LEU A 41 5.343 4.487 3.239 1.00 0.00 N ATOM 618 CA LEU A 41 6.502 4.804 2.412 1.00 0.00 C ATOM 619 C LEU A 41 6.419 6.232 1.882 1.00 0.00 C ATOM 620 O LEU A 41 7.418 6.951 1.844 1.00 0.00 O ATOM 621 CB LEU A 41 6.604 3.820 1.245 1.00 0.00 C ATOM 622 CG LEU A 41 7.601 2.674 1.419 1.00 0.00 C ATOM 623 CD1 LEU A 41 8.919 3.191 1.977 1.00 0.00 C ATOM 624 CD2 LEU A 41 7.023 1.598 2.327 1.00 0.00 C ATOM 0 H LEU A 41 4.830 3.656 2.945 1.00 0.00 H new ATOM 0 HA LEU A 41 7.394 4.718 3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.617 3.393 1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.875 4.378 0.348 1.00 0.00 H new ATOM 0 HG LEU A 41 7.792 2.234 0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.615 2.361 2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.341 3.925 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.745 3.658 2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.746 0.790 2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.803 2.027 3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.106 1.205 1.888 1.00 0.00 H new ATOM 636 N LEU A 42 5.220 6.637 1.475 1.00 0.00 N ATOM 637 CA LEU A 42 5.006 7.982 0.949 1.00 0.00 C ATOM 638 C LEU A 42 5.115 9.024 2.057 1.00 0.00 C ATOM 639 O LEU A 42 6.082 9.784 2.114 1.00 0.00 O ATOM 640 CB LEU A 42 3.634 8.074 0.279 1.00 0.00 C ATOM 641 CG LEU A 42 3.525 7.457 -1.116 1.00 0.00 C ATOM 642 CD1 LEU A 42 2.230 7.885 -1.789 1.00 0.00 C ATOM 643 CD2 LEU A 42 4.724 7.846 -1.966 1.00 0.00 C ATOM 0 H LEU A 42 4.383 6.055 1.499 1.00 0.00 H new ATOM 0 HA LEU A 42 5.780 8.185 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.903 7.590 0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.354 9.125 0.212 1.00 0.00 H new ATOM 0 HG LEU A 42 3.515 6.372 -1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.170 7.436 -2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.382 7.555 -1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.209 8.971 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.629 7.398 -2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.766 8.931 -2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.638 7.488 -1.492 1.00 0.00 H new ATOM 655 N ILE A 43 4.119 9.051 2.937 1.00 0.00 N ATOM 656 CA ILE A 43 4.105 9.998 4.045 1.00 0.00 C ATOM 657 C ILE A 43 5.504 10.193 4.619 1.00 0.00 C ATOM 658 O ILE A 43 5.832 11.259 5.140 1.00 0.00 O ATOM 659 CB ILE A 43 3.161 9.534 5.170 1.00 0.00 C ATOM 660 CG1 ILE A 43 1.943 10.456 5.254 1.00 0.00 C ATOM 661 CG2 ILE A 43 3.899 9.499 6.500 1.00 0.00 C ATOM 662 CD1 ILE A 43 0.965 10.271 4.115 1.00 0.00 C ATOM 0 H ILE A 43 3.312 8.428 2.904 1.00 0.00 H new ATOM 0 HA ILE A 43 3.743 10.946 3.646 1.00 0.00 H new ATOM 0 HB ILE A 43 2.815 8.526 4.943 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.427 10.278 6.198 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.282 11.492 5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.219 9.169 7.285 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.738 8.806 6.432 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.270 10.496 6.737 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.127 10.957 4.240 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.465 10.478 3.169 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.597 9.245 4.114 1.00 0.00 H new ATOM 674 N LYS A 44 6.329 9.154 4.519 1.00 0.00 N ATOM 675 CA LYS A 44 7.695 9.210 5.025 1.00 0.00 C ATOM 676 C LYS A 44 8.562 10.111 4.151 1.00 0.00 C ATOM 677 O LYS A 44 9.345 10.914 4.656 1.00 0.00 O ATOM 678 CB LYS A 44 8.297 7.805 5.083 1.00 0.00 C ATOM 679 CG LYS A 44 8.477 7.279 6.497 1.00 0.00 C ATOM 680 CD LYS A 44 7.193 7.388 7.301 1.00 0.00 C ATOM 681 CE LYS A 44 6.421 6.079 7.299 1.00 0.00 C ATOM 682 NZ LYS A 44 6.373 5.461 8.654 1.00 0.00 N ATOM 0 H LYS A 44 6.074 8.264 4.092 1.00 0.00 H new ATOM 0 HA LYS A 44 7.667 9.628 6.031 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.655 7.120 4.528 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.264 7.812 4.581 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.797 6.238 6.461 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.268 7.838 6.996 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.428 7.671 8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.569 8.180 6.887 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.406 6.257 6.945 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.886 5.384 6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.594 4.447 8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.070 5.924 9.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.421 5.580 9.056 1.00 0.00 H new ATOM 696 N GLU A 45 8.417 9.971 2.836 1.00 0.00 N ATOM 697 CA GLU A 45 9.188 10.772 1.894 1.00 0.00 C ATOM 698 C GLU A 45 8.708 12.220 1.892 1.00 0.00 C ATOM 699 O GLU A 45 9.432 13.126 2.305 1.00 0.00 O ATOM 700 CB GLU A 45 9.080 10.186 0.484 1.00 0.00 C ATOM 701 CG GLU A 45 10.425 9.879 -0.152 1.00 0.00 C ATOM 702 CD GLU A 45 10.422 8.570 -0.917 1.00 0.00 C ATOM 703 OE1 GLU A 45 10.710 7.522 -0.302 1.00 0.00 O ATOM 704 OE2 GLU A 45 10.134 8.593 -2.132 1.00 0.00 O ATOM 0 H GLU A 45 7.773 9.311 2.400 1.00 0.00 H new ATOM 0 HA GLU A 45 10.231 10.753 2.209 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.489 9.271 0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.539 10.887 -0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.697 10.690 -0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.190 9.841 0.624 1.00 0.00 H new ATOM 711 N GLY A 46 7.482 12.432 1.422 1.00 0.00 N ATOM 712 CA GLY A 46 6.927 13.771 1.375 1.00 0.00 C ATOM 713 C GLY A 46 7.312 14.515 0.112 1.00 0.00 C ATOM 714 O GLY A 46 6.646 15.472 -0.283 1.00 0.00 O ATOM 0 H GLY A 46 6.864 11.700 1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.841 13.713 1.442 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.270 14.334 2.243 1.00 0.00 H new ATOM 718 N LEU A 47 8.393 14.075 -0.524 1.00 0.00 N ATOM 719 CA LEU A 47 8.869 14.706 -1.751 1.00 0.00 C ATOM 720 C LEU A 47 7.701 15.087 -2.655 1.00 0.00 C ATOM 721 O LEU A 47 7.657 16.193 -3.194 1.00 0.00 O ATOM 722 CB LEU A 47 9.820 13.767 -2.495 1.00 0.00 C ATOM 723 CG LEU A 47 9.170 12.806 -3.491 1.00 0.00 C ATOM 724 CD1 LEU A 47 10.214 12.230 -4.436 1.00 0.00 C ATOM 725 CD2 LEU A 47 8.440 11.691 -2.758 1.00 0.00 C ATOM 0 H LEU A 47 8.956 13.284 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 47 9.406 15.615 -1.479 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.552 14.372 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.369 13.180 -1.759 1.00 0.00 H new ATOM 0 HG LEU A 47 8.442 13.363 -4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.733 11.548 -5.138 1.00 0.00 H new ATOM 0 HD12 LEU A 47 10.692 13.040 -4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.966 11.689 -3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.984 11.017 -3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.148 11.136 -2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.665 12.120 -2.123 1.00 0.00 H new ATOM 737 N GLU A 48 6.757 14.166 -2.815 1.00 0.00 N ATOM 738 CA GLU A 48 5.588 14.407 -3.653 1.00 0.00 C ATOM 739 C GLU A 48 4.595 13.253 -3.548 1.00 0.00 C ATOM 740 O GLU A 48 4.502 12.591 -2.514 1.00 0.00 O ATOM 741 CB GLU A 48 6.009 14.600 -5.111 1.00 0.00 C ATOM 742 CG GLU A 48 6.400 13.308 -5.808 1.00 0.00 C ATOM 743 CD GLU A 48 5.792 13.184 -7.191 1.00 0.00 C ATOM 744 OE1 GLU A 48 4.867 12.361 -7.360 1.00 0.00 O ATOM 745 OE2 GLU A 48 6.239 13.909 -8.104 1.00 0.00 O ATOM 0 H GLU A 48 6.778 13.246 -2.376 1.00 0.00 H new ATOM 0 HA GLU A 48 5.101 15.316 -3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.189 15.065 -5.659 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.850 15.292 -5.149 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.486 13.256 -5.887 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.084 12.461 -5.199 1.00 0.00 H new ATOM 752 N THR A 49 3.854 13.018 -4.625 1.00 0.00 N ATOM 753 CA THR A 49 2.867 11.946 -4.655 1.00 0.00 C ATOM 754 C THR A 49 1.542 12.402 -4.056 1.00 0.00 C ATOM 755 O THR A 49 0.472 11.998 -4.510 1.00 0.00 O ATOM 756 CB THR A 49 3.362 10.704 -3.890 1.00 0.00 C ATOM 757 OG1 THR A 49 4.765 10.521 -4.109 1.00 0.00 O ATOM 758 CG2 THR A 49 2.608 9.460 -4.332 1.00 0.00 C ATOM 0 H THR A 49 3.918 13.556 -5.489 1.00 0.00 H new ATOM 0 HA THR A 49 2.718 11.683 -5.702 1.00 0.00 H new ATOM 0 HB THR A 49 3.178 10.862 -2.827 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.266 10.901 -3.357 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.975 8.596 -3.778 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.544 9.591 -4.137 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.764 9.300 -5.399 1.00 0.00 H new ATOM 766 N ALA A 50 1.619 13.248 -3.034 1.00 0.00 N ATOM 767 CA ALA A 50 0.425 13.763 -2.375 1.00 0.00 C ATOM 768 C ALA A 50 -0.437 12.625 -1.838 1.00 0.00 C ATOM 769 O ALA A 50 -1.585 12.838 -1.444 1.00 0.00 O ATOM 770 CB ALA A 50 -0.376 14.628 -3.335 1.00 0.00 C ATOM 0 H ALA A 50 2.497 13.592 -2.644 1.00 0.00 H new ATOM 0 HA ALA A 50 0.740 14.376 -1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.265 15.006 -2.829 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.237 15.466 -3.667 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.675 14.033 -4.198 1.00 0.00 H new ATOM 776 N ILE A 51 0.122 11.420 -1.825 1.00 0.00 N ATOM 777 CA ILE A 51 -0.597 10.251 -1.336 1.00 0.00 C ATOM 778 C ILE A 51 -2.076 10.322 -1.701 1.00 0.00 C ATOM 779 O ILE A 51 -2.894 10.820 -0.926 1.00 0.00 O ATOM 780 CB ILE A 51 -0.462 10.105 0.192 1.00 0.00 C ATOM 781 CG1 ILE A 51 1.005 9.912 0.580 1.00 0.00 C ATOM 782 CG2 ILE A 51 -1.307 8.941 0.689 1.00 0.00 C ATOM 783 CD1 ILE A 51 1.911 11.019 0.090 1.00 0.00 C ATOM 0 H ILE A 51 1.070 11.228 -2.147 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.149 9.381 -1.816 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.825 11.018 0.664 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.080 9.846 1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.356 8.962 0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.201 8.850 1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.353 9.119 0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.972 8.019 0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.935 10.816 0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.866 11.071 -0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.585 11.970 0.512 1.00 0.00 H new ATOM 795 N SER A 52 -2.414 9.821 -2.884 1.00 0.00 N ATOM 796 CA SER A 52 -3.794 9.830 -3.352 1.00 0.00 C ATOM 797 C SER A 52 -4.457 8.475 -3.117 1.00 0.00 C ATOM 798 O SER A 52 -3.780 7.455 -2.980 1.00 0.00 O ATOM 799 CB SER A 52 -3.849 10.185 -4.840 1.00 0.00 C ATOM 800 OG SER A 52 -2.568 10.554 -5.323 1.00 0.00 O ATOM 0 H SER A 52 -1.750 9.403 -3.536 1.00 0.00 H new ATOM 0 HA SER A 52 -4.338 10.585 -2.785 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.224 9.333 -5.407 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.550 11.005 -4.996 1.00 0.00 H new ATOM 0 HG SER A 52 -2.629 10.775 -6.276 1.00 0.00 H new ATOM 806 N CYS A 53 -5.785 8.473 -3.072 1.00 0.00 N ATOM 807 CA CYS A 53 -6.541 7.245 -2.852 1.00 0.00 C ATOM 808 C CYS A 53 -5.844 6.054 -3.504 1.00 0.00 C ATOM 809 O CYS A 53 -5.373 6.122 -4.639 1.00 0.00 O ATOM 810 CB CYS A 53 -7.959 7.389 -3.410 1.00 0.00 C ATOM 811 SG CYS A 53 -8.997 5.909 -3.188 1.00 0.00 S ATOM 0 H CYS A 53 -6.360 9.308 -3.185 1.00 0.00 H new ATOM 0 HA CYS A 53 -6.596 7.068 -1.778 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.444 8.236 -2.926 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.898 7.621 -4.473 1.00 0.00 H new ATOM 816 N PRO A 54 -5.776 4.935 -2.768 1.00 0.00 N ATOM 817 CA PRO A 54 -5.140 3.706 -3.254 1.00 0.00 C ATOM 818 C PRO A 54 -5.939 3.042 -4.369 1.00 0.00 C ATOM 819 O PRO A 54 -5.575 1.970 -4.853 1.00 0.00 O ATOM 820 CB PRO A 54 -5.107 2.810 -2.013 1.00 0.00 C ATOM 821 CG PRO A 54 -6.227 3.300 -1.161 1.00 0.00 C ATOM 822 CD PRO A 54 -6.317 4.781 -1.407 1.00 0.00 C ATOM 0 HA PRO A 54 -4.157 3.898 -3.685 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.241 1.761 -2.278 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.152 2.888 -1.494 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -7.162 2.804 -1.422 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.037 3.090 -0.108 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.345 5.137 -1.341 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.736 5.345 -0.678 1.00 0.00 H new ATOM 830 N ASP A 55 -7.028 3.684 -4.775 1.00 0.00 N ATOM 831 CA ASP A 55 -7.878 3.157 -5.836 1.00 0.00 C ATOM 832 C ASP A 55 -7.486 3.744 -7.189 1.00 0.00 C ATOM 833 O ASP A 55 -7.163 4.927 -7.293 1.00 0.00 O ATOM 834 CB ASP A 55 -9.348 3.460 -5.540 1.00 0.00 C ATOM 835 CG ASP A 55 -10.292 2.651 -6.408 1.00 0.00 C ATOM 836 OD1 ASP A 55 -11.315 3.211 -6.853 1.00 0.00 O ATOM 837 OD2 ASP A 55 -10.006 1.458 -6.641 1.00 0.00 O ATOM 0 H ASP A 55 -7.344 4.572 -4.385 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.739 2.077 -5.876 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.555 3.251 -4.490 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.536 4.522 -5.696 1.00 0.00 H new ATOM 842 N ALA A 56 -7.517 2.909 -8.222 1.00 0.00 N ATOM 843 CA ALA A 56 -7.167 3.345 -9.568 1.00 0.00 C ATOM 844 C ALA A 56 -8.415 3.660 -10.385 1.00 0.00 C ATOM 845 O ALA A 56 -8.413 3.541 -11.610 1.00 0.00 O ATOM 846 CB ALA A 56 -6.331 2.283 -10.266 1.00 0.00 C ATOM 0 H ALA A 56 -7.781 1.926 -8.152 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.579 4.259 -9.486 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.077 2.622 -11.270 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.416 2.109 -9.699 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.900 1.356 -10.329 1.00 0.00 H new ATOM 852 N ALA A 57 -9.480 4.063 -9.699 1.00 0.00 N ATOM 853 CA ALA A 57 -10.734 4.397 -10.362 1.00 0.00 C ATOM 854 C ALA A 57 -11.743 4.968 -9.372 1.00 0.00 C ATOM 855 O ALA A 57 -12.928 4.635 -9.415 1.00 0.00 O ATOM 856 CB ALA A 57 -11.308 3.169 -11.055 1.00 0.00 C ATOM 0 H ALA A 57 -9.499 4.166 -8.684 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.528 5.161 -11.112 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.245 3.433 -11.546 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.598 2.806 -11.798 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.493 2.388 -10.317 1.00 0.00 H new ATOM 862 N CYS A 58 -11.267 5.830 -8.479 1.00 0.00 N ATOM 863 CA CYS A 58 -12.127 6.446 -7.477 1.00 0.00 C ATOM 864 C CYS A 58 -12.926 7.599 -8.080 1.00 0.00 C ATOM 865 O CYS A 58 -12.396 8.445 -8.801 1.00 0.00 O ATOM 866 CB CYS A 58 -11.292 6.953 -6.300 1.00 0.00 C ATOM 867 SG CYS A 58 -12.272 7.410 -4.834 1.00 0.00 S ATOM 0 H CYS A 58 -10.290 6.117 -8.430 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.826 5.689 -7.120 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.575 6.182 -6.018 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.717 7.820 -6.624 1.00 0.00 H new ATOM 872 N PRO A 59 -14.233 7.633 -7.781 1.00 0.00 N ATOM 873 CA PRO A 59 -15.133 8.675 -8.282 1.00 0.00 C ATOM 874 C PRO A 59 -14.853 10.035 -7.652 1.00 0.00 C ATOM 875 O PRO A 59 -15.323 11.065 -8.137 1.00 0.00 O ATOM 876 CB PRO A 59 -16.520 8.173 -7.875 1.00 0.00 C ATOM 877 CG PRO A 59 -16.274 7.295 -6.697 1.00 0.00 C ATOM 878 CD PRO A 59 -14.933 6.657 -6.929 1.00 0.00 C ATOM 0 HA PRO A 59 -15.019 8.830 -9.355 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -17.182 9.001 -7.620 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -16.996 7.623 -8.687 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -16.277 7.873 -5.773 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -17.054 6.540 -6.603 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -14.402 6.487 -5.993 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -15.028 5.689 -7.421 1.00 0.00 H new ATOM 886 N LYS A 60 -14.083 10.033 -6.569 1.00 0.00 N ATOM 887 CA LYS A 60 -13.737 11.266 -5.872 1.00 0.00 C ATOM 888 C LYS A 60 -12.225 11.418 -5.750 1.00 0.00 C ATOM 889 O LYS A 60 -11.722 12.504 -5.466 1.00 0.00 O ATOM 890 CB LYS A 60 -14.377 11.288 -4.482 1.00 0.00 C ATOM 891 CG LYS A 60 -15.895 11.318 -4.511 1.00 0.00 C ATOM 892 CD LYS A 60 -16.462 12.002 -3.279 1.00 0.00 C ATOM 893 CE LYS A 60 -17.384 13.153 -3.654 1.00 0.00 C ATOM 894 NZ LYS A 60 -18.553 12.689 -4.453 1.00 0.00 N ATOM 0 H LYS A 60 -13.686 9.190 -6.155 1.00 0.00 H new ATOM 0 HA LYS A 60 -14.122 12.103 -6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.050 10.409 -3.927 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.015 12.161 -3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -16.233 11.840 -5.406 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -16.279 10.300 -4.572 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -17.010 11.276 -2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -15.646 12.375 -2.661 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -17.736 13.646 -2.748 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.825 13.895 -4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -19.318 13.391 -4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -18.270 12.574 -5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.888 11.778 -4.081 1.00 0.00 H new ATOM 908 N GLN A 61 -11.506 10.320 -5.969 1.00 0.00 N ATOM 909 CA GLN A 61 -10.050 10.333 -5.884 1.00 0.00 C ATOM 910 C GLN A 61 -9.576 11.298 -4.802 1.00 0.00 C ATOM 911 O GLN A 61 -8.992 12.340 -5.099 1.00 0.00 O ATOM 912 CB GLN A 61 -9.442 10.721 -7.232 1.00 0.00 C ATOM 913 CG GLN A 61 -10.255 10.244 -8.426 1.00 0.00 C ATOM 914 CD GLN A 61 -9.884 10.962 -9.709 1.00 0.00 C ATOM 915 OE1 GLN A 61 -9.525 10.332 -10.704 1.00 0.00 O ATOM 916 NE2 GLN A 61 -9.969 12.286 -9.692 1.00 0.00 N ATOM 0 H GLN A 61 -11.907 9.413 -6.206 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.718 9.329 -5.620 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.345 11.806 -7.279 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.436 10.308 -7.300 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -10.106 9.172 -8.558 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -11.315 10.396 -8.223 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.271 12.767 -8.845 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -9.732 12.823 -10.526 1.00 0.00 H new ATOM 925 N GLY A 62 -9.832 10.945 -3.546 1.00 0.00 N ATOM 926 CA GLY A 62 -9.424 11.791 -2.440 1.00 0.00 C ATOM 927 C GLY A 62 -7.976 11.577 -2.049 1.00 0.00 C ATOM 928 O GLY A 62 -7.435 10.483 -2.216 1.00 0.00 O ATOM 0 H GLY A 62 -10.315 10.088 -3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.573 12.836 -2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.063 11.592 -1.579 1.00 0.00 H new ATOM 932 N HIS A 63 -7.344 12.625 -1.529 1.00 0.00 N ATOM 933 CA HIS A 63 -5.948 12.547 -1.115 1.00 0.00 C ATOM 934 C HIS A 63 -5.840 12.324 0.391 1.00 0.00 C ATOM 935 O HIS A 63 -6.828 12.433 1.117 1.00 0.00 O ATOM 936 CB HIS A 63 -5.206 13.824 -1.508 1.00 0.00 C ATOM 937 CG HIS A 63 -5.013 13.975 -2.985 1.00 0.00 C ATOM 938 ND1 HIS A 63 -5.720 14.881 -3.748 1.00 0.00 N ATOM 939 CD2 HIS A 63 -4.186 13.330 -3.841 1.00 0.00 C ATOM 940 CE1 HIS A 63 -5.338 14.786 -5.008 1.00 0.00 C ATOM 941 NE2 HIS A 63 -4.408 13.853 -5.092 1.00 0.00 N ATOM 0 H HIS A 63 -7.777 13.537 -1.385 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.490 11.699 -1.624 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.758 14.685 -1.132 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.231 13.833 -1.020 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.483 12.550 -3.588 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.721 15.372 -5.830 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -3.931 13.567 -5.947 1.00 0.00 H new ATOM 949 N LEU A 64 -4.634 12.013 0.852 1.00 0.00 N ATOM 950 CA LEU A 64 -4.396 11.773 2.272 1.00 0.00 C ATOM 951 C LEU A 64 -3.543 12.885 2.876 1.00 0.00 C ATOM 952 O LEU A 64 -2.899 13.647 2.155 1.00 0.00 O ATOM 953 CB LEU A 64 -3.709 10.422 2.473 1.00 0.00 C ATOM 954 CG LEU A 64 -4.563 9.185 2.187 1.00 0.00 C ATOM 955 CD1 LEU A 64 -5.480 8.887 3.363 1.00 0.00 C ATOM 956 CD2 LEU A 64 -5.372 9.380 0.913 1.00 0.00 C ATOM 0 H LEU A 64 -3.806 11.921 0.264 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.360 11.762 2.780 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.828 10.386 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.357 10.366 3.503 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.899 8.332 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.080 8.004 3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.880 8.704 4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.138 9.739 3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.974 8.491 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.027 10.244 1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.696 9.545 0.074 1.00 0.00 H new ATOM 968 N GLN A 65 -3.545 12.970 4.202 1.00 0.00 N ATOM 969 CA GLN A 65 -2.770 13.988 4.903 1.00 0.00 C ATOM 970 C GLN A 65 -1.364 13.484 5.213 1.00 0.00 C ATOM 971 O GLN A 65 -1.106 12.281 5.187 1.00 0.00 O ATOM 972 CB GLN A 65 -3.475 14.394 6.197 1.00 0.00 C ATOM 973 CG GLN A 65 -4.902 13.879 6.300 1.00 0.00 C ATOM 974 CD GLN A 65 -4.972 12.451 6.804 1.00 0.00 C ATOM 975 OE1 GLN A 65 -5.996 12.015 7.329 1.00 0.00 O ATOM 976 NE2 GLN A 65 -3.880 11.713 6.644 1.00 0.00 N ATOM 0 H GLN A 65 -4.074 12.347 4.813 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.689 14.859 4.253 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.901 14.022 7.046 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.484 15.481 6.270 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.470 14.525 6.970 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.377 13.938 5.321 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.053 12.115 6.203 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -3.868 10.744 6.962 1.00 0.00 H new ATOM 985 N GLU A 66 -0.459 14.413 5.505 1.00 0.00 N ATOM 986 CA GLU A 66 0.921 14.062 5.818 1.00 0.00 C ATOM 987 C GLU A 66 1.105 13.867 7.320 1.00 0.00 C ATOM 988 O GLU A 66 1.907 13.041 7.756 1.00 0.00 O ATOM 989 CB GLU A 66 1.875 15.147 5.313 1.00 0.00 C ATOM 990 CG GLU A 66 2.410 14.885 3.916 1.00 0.00 C ATOM 991 CD GLU A 66 3.913 15.065 3.825 1.00 0.00 C ATOM 992 OE1 GLU A 66 4.580 14.189 3.235 1.00 0.00 O ATOM 993 OE2 GLU A 66 4.422 16.081 4.344 1.00 0.00 O ATOM 0 H GLU A 66 -0.657 15.413 5.531 1.00 0.00 H new ATOM 0 HA GLU A 66 1.153 13.123 5.315 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.357 16.106 5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.714 15.232 6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.150 13.870 3.616 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.923 15.560 3.212 1.00 0.00 H new ATOM 1000 N ASN A 67 0.356 14.633 8.107 1.00 0.00 N ATOM 1001 CA ASN A 67 0.437 14.546 9.560 1.00 0.00 C ATOM 1002 C ASN A 67 -0.459 13.429 10.088 1.00 0.00 C ATOM 1003 O ASN A 67 -0.007 12.559 10.832 1.00 0.00 O ATOM 1004 CB ASN A 67 0.037 15.879 10.195 1.00 0.00 C ATOM 1005 CG ASN A 67 -1.304 15.805 10.899 1.00 0.00 C ATOM 1006 OD1 ASN A 67 -1.381 15.454 12.076 1.00 0.00 O ATOM 1007 ND2 ASN A 67 -2.370 16.135 10.178 1.00 0.00 N ATOM 0 H ASN A 67 -0.314 15.321 7.762 1.00 0.00 H new ATOM 0 HA ASN A 67 1.469 14.319 9.829 1.00 0.00 H new ATOM 0 HB2 ASN A 67 0.803 16.182 10.909 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.003 16.648 9.424 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.299 16.103 10.597 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.259 16.420 9.205 1.00 0.00 H new ATOM 1014 N GLU A 68 -1.729 13.462 9.698 1.00 0.00 N ATOM 1015 CA GLU A 68 -2.687 12.452 10.133 1.00 0.00 C ATOM 1016 C GLU A 68 -2.181 11.048 9.815 1.00 0.00 C ATOM 1017 O GLU A 68 -1.987 10.228 10.712 1.00 0.00 O ATOM 1018 CB GLU A 68 -4.043 12.682 9.462 1.00 0.00 C ATOM 1019 CG GLU A 68 -5.116 13.183 10.415 1.00 0.00 C ATOM 1020 CD GLU A 68 -5.909 12.054 11.045 1.00 0.00 C ATOM 1021 OE1 GLU A 68 -6.092 12.077 12.280 1.00 0.00 O ATOM 1022 OE2 GLU A 68 -6.347 11.150 10.304 1.00 0.00 O ATOM 0 H GLU A 68 -2.118 14.176 9.082 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.804 12.540 11.213 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.921 13.403 8.654 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.378 11.749 9.009 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.650 13.778 11.201 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.796 13.843 9.876 1.00 0.00 H new ATOM 1029 N ILE A 69 -1.969 10.780 8.531 1.00 0.00 N ATOM 1030 CA ILE A 69 -1.485 9.476 8.093 1.00 0.00 C ATOM 1031 C ILE A 69 -0.274 9.038 8.909 1.00 0.00 C ATOM 1032 O ILE A 69 -0.325 8.039 9.625 1.00 0.00 O ATOM 1033 CB ILE A 69 -1.107 9.488 6.600 1.00 0.00 C ATOM 1034 CG1 ILE A 69 -2.368 9.444 5.734 1.00 0.00 C ATOM 1035 CG2 ILE A 69 -0.195 8.314 6.275 1.00 0.00 C ATOM 1036 CD1 ILE A 69 -2.263 8.496 4.560 1.00 0.00 C ATOM 0 H ILE A 69 -2.125 11.448 7.776 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.300 8.768 8.247 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.570 10.411 6.383 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.214 9.149 6.354 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.579 10.447 5.363 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.063 8.336 5.216 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.714 8.384 6.872 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.709 7.380 6.504 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.193 8.517 3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.438 8.803 3.917 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.083 7.485 4.924 1.00 0.00 H new ATOM 1048 N GLU A 70 0.814 9.794 8.796 1.00 0.00 N ATOM 1049 CA GLU A 70 2.039 9.483 9.524 1.00 0.00 C ATOM 1050 C GLU A 70 1.754 9.292 11.010 1.00 0.00 C ATOM 1051 O GLU A 70 2.566 8.721 11.740 1.00 0.00 O ATOM 1052 CB GLU A 70 3.070 10.596 9.330 1.00 0.00 C ATOM 1053 CG GLU A 70 2.820 11.816 10.199 1.00 0.00 C ATOM 1054 CD GLU A 70 3.982 12.789 10.190 1.00 0.00 C ATOM 1055 OE1 GLU A 70 4.965 12.545 10.922 1.00 0.00 O ATOM 1056 OE2 GLU A 70 3.912 13.793 9.451 1.00 0.00 O ATOM 0 H GLU A 70 0.872 10.625 8.208 1.00 0.00 H new ATOM 0 HA GLU A 70 2.442 8.552 9.126 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.063 10.202 9.549 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.071 10.900 8.283 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.922 12.326 9.852 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.629 11.495 11.223 1.00 0.00 H new ATOM 1063 N CYS A 71 0.597 9.772 11.451 1.00 0.00 N ATOM 1064 CA CYS A 71 0.205 9.655 12.852 1.00 0.00 C ATOM 1065 C CYS A 71 -0.238 8.233 13.176 1.00 0.00 C ATOM 1066 O CYS A 71 -0.059 7.756 14.296 1.00 0.00 O ATOM 1067 CB CYS A 71 -0.923 10.638 13.171 1.00 0.00 C ATOM 1068 SG CYS A 71 -2.532 9.857 13.434 1.00 0.00 S ATOM 0 H CYS A 71 -0.086 10.246 10.860 1.00 0.00 H new ATOM 0 HA CYS A 71 1.072 9.895 13.467 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -0.656 11.204 14.064 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -1.008 11.354 12.354 1.00 0.00 H new ATOM 0 HG CYS A 71 -3.062 9.557 12.285 1.00 0.00 H new ATOM 1074 N MET A 72 -0.820 7.560 12.188 1.00 0.00 N ATOM 1075 CA MET A 72 -1.290 6.191 12.369 1.00 0.00 C ATOM 1076 C MET A 72 -0.172 5.191 12.089 1.00 0.00 C ATOM 1077 O MET A 72 -0.394 3.981 12.088 1.00 0.00 O ATOM 1078 CB MET A 72 -2.481 5.912 11.450 1.00 0.00 C ATOM 1079 CG MET A 72 -2.093 5.251 10.137 1.00 0.00 C ATOM 1080 SD MET A 72 -3.481 5.113 8.993 1.00 0.00 S ATOM 1081 CE MET A 72 -2.621 5.037 7.425 1.00 0.00 C ATOM 0 H MET A 72 -0.977 7.940 11.255 1.00 0.00 H new ATOM 0 HA MET A 72 -1.606 6.076 13.406 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.191 5.272 11.973 1.00 0.00 H new ATOM 0 HB3 MET A 72 -2.993 6.850 11.238 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.295 5.826 9.667 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.693 4.257 10.339 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.159 4.376 6.746 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.566 6.035 6.991 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.613 4.654 7.581 1.00 0.00 H new ATOM 1091 N VAL A 73 1.030 5.706 11.852 1.00 0.00 N ATOM 1092 CA VAL A 73 2.183 4.859 11.571 1.00 0.00 C ATOM 1093 C VAL A 73 3.432 5.377 12.276 1.00 0.00 C ATOM 1094 O VAL A 73 4.039 4.674 13.083 1.00 0.00 O ATOM 1095 CB VAL A 73 2.460 4.771 10.060 1.00 0.00 C ATOM 1096 CG1 VAL A 73 1.501 3.793 9.396 1.00 0.00 C ATOM 1097 CG2 VAL A 73 2.361 6.146 9.418 1.00 0.00 C ATOM 0 H VAL A 73 1.231 6.706 11.849 1.00 0.00 H new ATOM 0 HA VAL A 73 1.943 3.865 11.948 1.00 0.00 H new ATOM 0 HB VAL A 73 3.475 4.401 9.917 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.713 3.744 8.328 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.627 2.804 9.836 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.475 4.129 9.548 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.560 6.064 8.349 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.359 6.548 9.571 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.093 6.814 9.873 1.00 0.00 H new ATOM 1107 N ALA A 74 3.808 6.614 11.967 1.00 0.00 N ATOM 1108 CA ALA A 74 4.982 7.229 12.573 1.00 0.00 C ATOM 1109 C ALA A 74 4.588 8.157 13.717 1.00 0.00 C ATOM 1110 O ALA A 74 5.095 9.272 13.828 1.00 0.00 O ATOM 1111 CB ALA A 74 5.779 7.991 11.525 1.00 0.00 C ATOM 0 H ALA A 74 3.316 7.209 11.301 1.00 0.00 H new ATOM 0 HA ALA A 74 5.606 6.435 12.983 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.653 8.445 11.992 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.101 7.304 10.743 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.154 8.771 11.089 1.00 0.00 H new ATOM 1117 N ALA A 75 3.680 7.687 14.566 1.00 0.00 N ATOM 1118 CA ALA A 75 3.218 8.475 15.703 1.00 0.00 C ATOM 1119 C ALA A 75 4.391 9.109 16.445 1.00 0.00 C ATOM 1120 O ALA A 75 4.400 10.325 16.628 1.00 0.00 O ATOM 1121 CB ALA A 75 2.400 7.608 16.650 1.00 0.00 C ATOM 0 H ALA A 75 3.250 6.765 14.488 1.00 0.00 H new ATOM 0 HA ALA A 75 2.585 9.277 15.323 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.062 8.210 17.494 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.536 7.207 16.121 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.016 6.786 17.014 1.00 0.00 H new TER 1127 ALA A 75 HETATM 1128 ZN ZN A 201 -6.302 -4.412 1.937 1.00 0.00 ZN HETATM 1129 ZN ZN A 202 -11.118 6.828 -2.895 1.00 0.00 ZN