USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=12 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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 55:sc= 0.0978 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -149:sc= 1.32 USER MOD Single : A 19 GLN : amide:sc= -1.74 K(o=-1.7,f=-2.4) USER MOD Single : A 20 MET CE :methyl 154:sc= -0.126 (180deg=-0.804) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -2.48! C(o=-2.5!,f=-4.2!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.13) USER MOD Single : A 38 TYR OH : rot -112:sc= -1.96! USER MOD Single : A 44 LYS NZ :NH3+ -159:sc= -0.597 (180deg=-1.14) USER MOD Single : A 49 THR OG1 : rot -110:sc= -1.49! USER MOD Single : A 52 SER OG : rot 180:sc= 0.0203 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.551 X(o=-0.55,f=-0.078) USER MOD Single : A 65 GLN :FLIP amide:sc= -5.84! C(o=-13!,f=-5.8!) USER MOD Single : A 67 ASN : amide:sc= -0.972 K(o=-0.97,f=-2.3!) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -24.434 -7.639 -0.103 1.00 0.00 N ATOM 2 CA ALA A 1 -24.729 -8.588 -1.170 1.00 0.00 C ATOM 3 C ALA A 1 -24.905 -9.998 -0.619 1.00 0.00 C ATOM 4 O ALA A 1 -25.954 -10.619 -0.795 1.00 0.00 O ATOM 5 CB ALA A 1 -23.626 -8.563 -2.218 1.00 0.00 C ATOM 0 H1 ALA A 1 -24.319 -6.687 -0.507 1.00 0.00 H new ATOM 0 H2 ALA A 1 -25.217 -7.632 0.582 1.00 0.00 H new ATOM 0 H3 ALA A 1 -23.556 -7.919 0.378 1.00 0.00 H new ATOM 0 HA ALA A 1 -25.667 -8.290 -1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -23.859 -9.276 -3.009 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -23.550 -7.562 -2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -22.677 -8.833 -1.754 1.00 0.00 H new ATOM 11 N LEU A 2 -23.874 -10.500 0.052 1.00 0.00 N ATOM 12 CA LEU A 2 -23.914 -11.839 0.630 1.00 0.00 C ATOM 13 C LEU A 2 -23.266 -11.855 2.010 1.00 0.00 C ATOM 14 O LEU A 2 -23.922 -12.147 3.011 1.00 0.00 O ATOM 15 CB LEU A 2 -23.206 -12.835 -0.291 1.00 0.00 C ATOM 16 CG LEU A 2 -23.943 -13.198 -1.580 1.00 0.00 C ATOM 17 CD1 LEU A 2 -23.172 -12.702 -2.794 1.00 0.00 C ATOM 18 CD2 LEU A 2 -24.164 -14.701 -1.664 1.00 0.00 C ATOM 0 H LEU A 2 -22.999 -9.999 0.209 1.00 0.00 H new ATOM 0 HA LEU A 2 -24.959 -12.132 0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -22.232 -12.424 -0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -23.024 -13.752 0.270 1.00 0.00 H new ATOM 0 HG LEU A 2 -24.917 -12.708 -1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -23.712 -12.970 -3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -23.067 -11.618 -2.740 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -22.184 -13.162 -2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -24.690 -14.940 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -23.201 -15.212 -1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -24.760 -15.029 -0.812 1.00 0.00 H new ATOM 30 N ASP A 3 -21.977 -11.539 2.057 1.00 0.00 N ATOM 31 CA ASP A 3 -21.241 -11.515 3.316 1.00 0.00 C ATOM 32 C ASP A 3 -21.145 -10.094 3.862 1.00 0.00 C ATOM 33 O ASP A 3 -21.068 -9.119 3.113 1.00 0.00 O ATOM 34 CB ASP A 3 -19.839 -12.095 3.122 1.00 0.00 C ATOM 35 CG ASP A 3 -19.608 -13.341 3.955 1.00 0.00 C ATOM 36 OD1 ASP A 3 -18.527 -13.452 4.570 1.00 0.00 O ATOM 37 OD2 ASP A 3 -20.509 -14.204 3.993 1.00 0.00 O ATOM 0 H ASP A 3 -21.420 -11.296 1.238 1.00 0.00 H new ATOM 0 HA ASP A 3 -21.783 -12.127 4.037 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -19.690 -12.333 2.069 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -19.097 -11.342 3.387 1.00 0.00 H new ATOM 42 N PRO A 4 -21.151 -9.971 5.197 1.00 0.00 N ATOM 43 CA PRO A 4 -21.067 -8.673 5.873 1.00 0.00 C ATOM 44 C PRO A 4 -19.693 -8.030 5.723 1.00 0.00 C ATOM 45 O PRO A 4 -19.582 -6.826 5.486 1.00 0.00 O ATOM 46 CB PRO A 4 -21.338 -9.018 7.339 1.00 0.00 C ATOM 47 CG PRO A 4 -20.933 -10.446 7.473 1.00 0.00 C ATOM 48 CD PRO A 4 -21.242 -11.089 6.150 1.00 0.00 C ATOM 0 HA PRO A 4 -21.767 -7.950 5.455 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -20.763 -8.379 8.009 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -22.389 -8.879 7.591 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -19.872 -10.530 7.710 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -21.480 -10.933 8.281 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -20.530 -11.879 5.911 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -22.234 -11.541 6.145 1.00 0.00 H new ATOM 56 N LEU A 5 -18.647 -8.838 5.861 1.00 0.00 N ATOM 57 CA LEU A 5 -17.279 -8.348 5.739 1.00 0.00 C ATOM 58 C LEU A 5 -17.024 -7.786 4.344 1.00 0.00 C ATOM 59 O LEU A 5 -17.938 -7.288 3.686 1.00 0.00 O ATOM 60 CB LEU A 5 -16.285 -9.470 6.041 1.00 0.00 C ATOM 61 CG LEU A 5 -16.677 -10.430 7.164 1.00 0.00 C ATOM 62 CD1 LEU A 5 -17.163 -11.753 6.591 1.00 0.00 C ATOM 63 CD2 LEU A 5 -15.505 -10.654 8.107 1.00 0.00 C ATOM 0 H LEU A 5 -18.721 -9.836 6.058 1.00 0.00 H new ATOM 0 HA LEU A 5 -17.141 -7.546 6.464 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.135 -10.050 5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -15.325 -9.020 6.294 1.00 0.00 H new ATOM 0 HG LEU A 5 -17.493 -9.982 7.731 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -17.437 -12.423 7.405 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -18.032 -11.578 5.957 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.368 -12.207 5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -15.802 -11.340 8.900 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.669 -11.080 7.553 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -15.203 -9.702 8.544 1.00 0.00 H new ATOM 75 N VAL A 6 -15.775 -7.873 3.897 1.00 0.00 N ATOM 76 CA VAL A 6 -15.400 -7.377 2.578 1.00 0.00 C ATOM 77 C VAL A 6 -15.581 -5.867 2.486 1.00 0.00 C ATOM 78 O VAL A 6 -16.639 -5.336 2.825 1.00 0.00 O ATOM 79 CB VAL A 6 -16.227 -8.052 1.468 1.00 0.00 C ATOM 80 CG1 VAL A 6 -15.905 -7.439 0.114 1.00 0.00 C ATOM 81 CG2 VAL A 6 -15.980 -9.553 1.456 1.00 0.00 C ATOM 0 H VAL A 6 -15.006 -8.282 4.428 1.00 0.00 H new ATOM 0 HA VAL A 6 -14.347 -7.622 2.436 1.00 0.00 H new ATOM 0 HB VAL A 6 -17.284 -7.883 1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -16.499 -7.929 -0.658 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -16.139 -6.375 0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.845 -7.574 -0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -16.573 -10.013 0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -14.922 -9.746 1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -16.268 -9.977 2.418 1.00 0.00 H new ATOM 91 N SER A 7 -14.542 -5.178 2.025 1.00 0.00 N ATOM 92 CA SER A 7 -14.586 -3.726 1.891 1.00 0.00 C ATOM 93 C SER A 7 -13.373 -3.215 1.119 1.00 0.00 C ATOM 94 O SER A 7 -13.491 -2.331 0.270 1.00 0.00 O ATOM 95 CB SER A 7 -14.640 -3.067 3.271 1.00 0.00 C ATOM 96 OG SER A 7 -15.917 -2.499 3.514 1.00 0.00 O ATOM 0 H SER A 7 -13.660 -5.601 1.738 1.00 0.00 H new ATOM 0 HA SER A 7 -15.486 -3.464 1.335 1.00 0.00 H new ATOM 0 HB2 SER A 7 -14.415 -3.806 4.040 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.875 -2.293 3.339 1.00 0.00 H new ATOM 0 HG SER A 7 -16.607 -3.185 3.400 1.00 0.00 H new ATOM 102 N CYS A 8 -12.208 -3.778 1.420 1.00 0.00 N ATOM 103 CA CYS A 8 -10.972 -3.381 0.756 1.00 0.00 C ATOM 104 C CYS A 8 -10.971 -3.827 -0.703 1.00 0.00 C ATOM 105 O CYS A 8 -11.696 -4.747 -1.084 1.00 0.00 O ATOM 106 CB CYS A 8 -9.764 -3.975 1.484 1.00 0.00 C ATOM 107 SG CYS A 8 -8.173 -3.216 1.024 1.00 0.00 S ATOM 0 H CYS A 8 -12.094 -4.511 2.120 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.906 -2.293 0.785 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.910 -3.864 2.558 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -9.718 -5.044 1.277 1.00 0.00 H new ATOM 112 N LYS A 9 -10.151 -3.169 -1.517 1.00 0.00 N ATOM 113 CA LYS A 9 -10.054 -3.497 -2.934 1.00 0.00 C ATOM 114 C LYS A 9 -8.603 -3.453 -3.402 1.00 0.00 C ATOM 115 O LYS A 9 -8.328 -3.433 -4.603 1.00 0.00 O ATOM 116 CB LYS A 9 -10.898 -2.528 -3.762 1.00 0.00 C ATOM 117 CG LYS A 9 -10.809 -1.087 -3.292 1.00 0.00 C ATOM 118 CD LYS A 9 -12.162 -0.397 -3.343 1.00 0.00 C ATOM 119 CE LYS A 9 -12.380 0.304 -4.675 1.00 0.00 C ATOM 120 NZ LYS A 9 -13.672 -0.088 -5.303 1.00 0.00 N ATOM 0 H LYS A 9 -9.544 -2.405 -1.219 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.433 -4.509 -3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.580 -2.582 -4.803 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.939 -2.848 -3.730 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.424 -1.059 -2.273 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.099 -0.544 -3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.952 -1.131 -3.183 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.232 0.329 -2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.362 1.383 -4.525 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.560 0.063 -5.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.783 0.411 -6.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.679 -1.114 -5.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.457 0.165 -4.669 1.00 0.00 H new ATOM 134 N LEU A 10 -7.678 -3.440 -2.450 1.00 0.00 N ATOM 135 CA LEU A 10 -6.254 -3.399 -2.766 1.00 0.00 C ATOM 136 C LEU A 10 -5.624 -4.781 -2.618 1.00 0.00 C ATOM 137 O LEU A 10 -4.653 -5.108 -3.301 1.00 0.00 O ATOM 138 CB LEU A 10 -5.537 -2.400 -1.856 1.00 0.00 C ATOM 139 CG LEU A 10 -5.962 -0.937 -2.001 1.00 0.00 C ATOM 140 CD1 LEU A 10 -5.364 -0.096 -0.883 1.00 0.00 C ATOM 141 CD2 LEU A 10 -5.548 -0.394 -3.359 1.00 0.00 C ATOM 0 H LEU A 10 -7.888 -3.457 -1.452 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.146 -3.079 -3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.695 -2.703 -0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.466 -2.468 -2.048 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.048 -0.884 -1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.676 0.942 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.710 -0.472 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.276 -0.155 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.858 0.647 -3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.465 -0.460 -3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.024 -0.980 -4.146 1.00 0.00 H new ATOM 153 N CYS A 11 -6.185 -5.588 -1.724 1.00 0.00 N ATOM 154 CA CYS A 11 -5.680 -6.935 -1.487 1.00 0.00 C ATOM 155 C CYS A 11 -6.780 -7.972 -1.692 1.00 0.00 C ATOM 156 O CYS A 11 -6.564 -9.170 -1.504 1.00 0.00 O ATOM 157 CB CYS A 11 -5.115 -7.049 -0.069 1.00 0.00 C ATOM 158 SG CYS A 11 -6.345 -6.766 1.245 1.00 0.00 S ATOM 0 H CYS A 11 -6.990 -5.333 -1.152 1.00 0.00 H new ATOM 0 HA CYS A 11 -4.883 -7.129 -2.205 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.683 -8.041 0.060 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.304 -6.330 0.046 1.00 0.00 H new ATOM 163 N LEU A 12 -7.961 -7.504 -2.081 1.00 0.00 N ATOM 164 CA LEU A 12 -9.096 -8.390 -2.314 1.00 0.00 C ATOM 165 C LEU A 12 -9.302 -9.334 -1.133 1.00 0.00 C ATOM 166 O LEU A 12 -9.138 -10.547 -1.258 1.00 0.00 O ATOM 167 CB LEU A 12 -8.884 -9.198 -3.596 1.00 0.00 C ATOM 168 CG LEU A 12 -9.107 -8.444 -4.908 1.00 0.00 C ATOM 169 CD1 LEU A 12 -8.586 -9.256 -6.084 1.00 0.00 C ATOM 170 CD2 LEU A 12 -10.582 -8.120 -5.093 1.00 0.00 C ATOM 0 H LEU A 12 -8.157 -6.516 -2.242 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.989 -7.774 -2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.866 -9.588 -3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.554 -10.057 -3.575 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.553 -7.506 -4.865 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.753 -8.705 -7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.519 -9.437 -5.957 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.113 -10.209 -6.130 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.722 -7.584 -6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.158 -9.045 -5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.925 -7.499 -4.266 1.00 0.00 H new ATOM 182 N GLY A 13 -9.664 -8.768 0.014 1.00 0.00 N ATOM 183 CA GLY A 13 -9.887 -9.574 1.200 1.00 0.00 C ATOM 184 C GLY A 13 -11.190 -9.232 1.895 1.00 0.00 C ATOM 185 O GLY A 13 -12.014 -8.493 1.357 1.00 0.00 O ATOM 0 H GLY A 13 -9.807 -7.766 0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.892 -10.628 0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.059 -9.430 1.895 1.00 0.00 H new ATOM 189 N GLU A 14 -11.380 -9.774 3.094 1.00 0.00 N ATOM 190 CA GLU A 14 -12.595 -9.524 3.862 1.00 0.00 C ATOM 191 C GLU A 14 -12.352 -8.466 4.934 1.00 0.00 C ATOM 192 O GLU A 14 -12.671 -7.291 4.746 1.00 0.00 O ATOM 193 CB GLU A 14 -13.089 -10.819 4.511 1.00 0.00 C ATOM 194 CG GLU A 14 -13.590 -11.847 3.511 1.00 0.00 C ATOM 195 CD GLU A 14 -14.054 -13.129 4.175 1.00 0.00 C ATOM 196 OE1 GLU A 14 -13.264 -13.718 4.942 1.00 0.00 O ATOM 197 OE2 GLU A 14 -15.206 -13.542 3.929 1.00 0.00 O ATOM 0 H GLU A 14 -10.709 -10.389 3.555 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.358 -9.154 3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.278 -11.256 5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.892 -10.582 5.209 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.413 -11.420 2.939 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.794 -12.077 2.802 1.00 0.00 H new ATOM 204 N TYR A 15 -11.786 -8.890 6.059 1.00 0.00 N ATOM 205 CA TYR A 15 -11.503 -7.980 7.163 1.00 0.00 C ATOM 206 C TYR A 15 -12.781 -7.308 7.656 1.00 0.00 C ATOM 207 O TYR A 15 -13.715 -7.057 6.894 1.00 0.00 O ATOM 208 CB TYR A 15 -10.490 -6.919 6.730 1.00 0.00 C ATOM 209 CG TYR A 15 -9.372 -7.465 5.872 1.00 0.00 C ATOM 210 CD1 TYR A 15 -8.315 -8.168 6.437 1.00 0.00 C ATOM 211 CD2 TYR A 15 -9.370 -7.276 4.495 1.00 0.00 C ATOM 212 CE1 TYR A 15 -7.290 -8.667 5.657 1.00 0.00 C ATOM 213 CE2 TYR A 15 -8.351 -7.773 3.707 1.00 0.00 C ATOM 214 CZ TYR A 15 -7.312 -8.468 4.292 1.00 0.00 C ATOM 215 OH TYR A 15 -6.294 -8.964 3.510 1.00 0.00 O ATOM 0 H TYR A 15 -11.514 -9.858 6.230 1.00 0.00 H new ATOM 0 HA TYR A 15 -11.081 -8.563 7.982 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.010 -6.135 6.179 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -10.062 -6.454 7.618 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -8.294 -8.327 7.505 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -10.180 -6.731 4.033 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -6.476 -9.210 6.113 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.367 -7.619 2.638 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.168 -8.384 2.731 1.00 0.00 H new ATOM 225 N PRO A 16 -12.825 -7.009 8.963 1.00 0.00 N ATOM 226 CA PRO A 16 -13.981 -6.361 9.588 1.00 0.00 C ATOM 227 C PRO A 16 -14.140 -4.909 9.150 1.00 0.00 C ATOM 228 O PRO A 16 -13.552 -4.482 8.156 1.00 0.00 O ATOM 229 CB PRO A 16 -13.664 -6.438 11.084 1.00 0.00 C ATOM 230 CG PRO A 16 -12.179 -6.518 11.152 1.00 0.00 C ATOM 231 CD PRO A 16 -11.748 -7.280 9.930 1.00 0.00 C ATOM 0 HA PRO A 16 -14.918 -6.844 9.311 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -14.038 -5.562 11.614 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -14.129 -7.310 11.543 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -11.735 -5.523 11.168 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.857 -7.025 12.062 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.781 -6.936 9.562 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.650 -8.346 10.135 1.00 0.00 H new ATOM 239 N VAL A 17 -14.936 -4.154 9.900 1.00 0.00 N ATOM 240 CA VAL A 17 -15.171 -2.749 9.589 1.00 0.00 C ATOM 241 C VAL A 17 -14.345 -1.841 10.494 1.00 0.00 C ATOM 242 O VAL A 17 -14.227 -0.642 10.245 1.00 0.00 O ATOM 243 CB VAL A 17 -16.659 -2.382 9.734 1.00 0.00 C ATOM 244 CG1 VAL A 17 -16.812 -0.983 10.313 1.00 0.00 C ATOM 245 CG2 VAL A 17 -17.369 -2.493 8.394 1.00 0.00 C ATOM 0 H VAL A 17 -15.429 -4.491 10.727 1.00 0.00 H new ATOM 0 HA VAL A 17 -14.868 -2.600 8.553 1.00 0.00 H new ATOM 0 HB VAL A 17 -17.122 -3.087 10.424 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -17.871 -0.742 10.408 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -16.341 -0.942 11.295 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -16.334 -0.261 9.651 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -18.420 -2.230 8.516 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -16.905 -1.813 7.679 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.292 -3.516 8.025 1.00 0.00 H new ATOM 255 N GLU A 18 -13.774 -2.422 11.544 1.00 0.00 N ATOM 256 CA GLU A 18 -12.958 -1.665 12.487 1.00 0.00 C ATOM 257 C GLU A 18 -11.480 -1.752 12.119 1.00 0.00 C ATOM 258 O GLU A 18 -10.643 -1.067 12.707 1.00 0.00 O ATOM 259 CB GLU A 18 -13.172 -2.183 13.911 1.00 0.00 C ATOM 260 CG GLU A 18 -13.989 -1.244 14.783 1.00 0.00 C ATOM 261 CD GLU A 18 -14.334 -1.852 16.129 1.00 0.00 C ATOM 262 OE1 GLU A 18 -15.467 -2.354 16.280 1.00 0.00 O ATOM 263 OE2 GLU A 18 -13.471 -1.824 17.031 1.00 0.00 O ATOM 0 H GLU A 18 -13.861 -3.414 11.764 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.266 -0.621 12.438 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.672 -3.151 13.866 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.201 -2.347 14.379 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.432 -0.320 14.938 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.909 -0.978 14.262 1.00 0.00 H new ATOM 270 N GLN A 19 -11.168 -2.598 11.143 1.00 0.00 N ATOM 271 CA GLN A 19 -9.791 -2.774 10.697 1.00 0.00 C ATOM 272 C GLN A 19 -9.509 -1.938 9.453 1.00 0.00 C ATOM 273 O GLN A 19 -8.432 -2.027 8.865 1.00 0.00 O ATOM 274 CB GLN A 19 -9.512 -4.250 10.407 1.00 0.00 C ATOM 275 CG GLN A 19 -9.167 -5.060 11.647 1.00 0.00 C ATOM 276 CD GLN A 19 -8.960 -6.531 11.344 1.00 0.00 C ATOM 277 OE1 GLN A 19 -8.488 -6.895 10.267 1.00 0.00 O ATOM 278 NE2 GLN A 19 -9.315 -7.386 12.296 1.00 0.00 N ATOM 0 H GLN A 19 -11.849 -3.172 10.646 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.131 -2.436 11.496 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.387 -4.689 9.928 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.689 -4.323 9.695 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.262 -4.655 12.100 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.966 -4.953 12.380 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.702 -7.040 13.174 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.200 -8.389 12.149 1.00 0.00 H new ATOM 287 N MET A 20 -10.485 -1.126 9.059 1.00 0.00 N ATOM 288 CA MET A 20 -10.340 -0.272 7.885 1.00 0.00 C ATOM 289 C MET A 20 -10.256 1.197 8.289 1.00 0.00 C ATOM 290 O MET A 20 -10.538 1.554 9.434 1.00 0.00 O ATOM 291 CB MET A 20 -11.515 -0.483 6.928 1.00 0.00 C ATOM 292 CG MET A 20 -12.360 -1.702 7.261 1.00 0.00 C ATOM 293 SD MET A 20 -13.130 -2.433 5.804 1.00 0.00 S ATOM 294 CE MET A 20 -11.695 -3.088 4.955 1.00 0.00 C ATOM 0 H MET A 20 -11.383 -1.041 9.534 1.00 0.00 H new ATOM 0 HA MET A 20 -9.414 -0.545 7.379 1.00 0.00 H new ATOM 0 HB2 MET A 20 -12.149 0.403 6.944 1.00 0.00 H new ATOM 0 HB3 MET A 20 -11.132 -0.583 5.912 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.735 -2.449 7.751 1.00 0.00 H new ATOM 0 HG3 MET A 20 -13.135 -1.418 7.973 1.00 0.00 H new ATOM 0 HE1 MET A 20 -11.995 -3.927 4.327 1.00 0.00 H new ATOM 0 HE2 MET A 20 -11.253 -2.309 4.333 1.00 0.00 H new ATOM 0 HE3 MET A 20 -10.962 -3.427 5.687 1.00 0.00 H new ATOM 304 N THR A 21 -9.864 2.044 7.343 1.00 0.00 N ATOM 305 CA THR A 21 -9.740 3.473 7.600 1.00 0.00 C ATOM 306 C THR A 21 -10.234 4.290 6.412 1.00 0.00 C ATOM 307 O THR A 21 -10.119 3.866 5.262 1.00 0.00 O ATOM 308 CB THR A 21 -8.282 3.864 7.907 1.00 0.00 C ATOM 309 OG1 THR A 21 -7.866 3.274 9.143 1.00 0.00 O ATOM 310 CG2 THR A 21 -8.133 5.376 7.985 1.00 0.00 C ATOM 0 H THR A 21 -9.627 1.765 6.391 1.00 0.00 H new ATOM 0 HA THR A 21 -10.358 3.692 8.470 1.00 0.00 H new ATOM 0 HB THR A 21 -7.652 3.494 7.099 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.938 3.526 9.330 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.095 5.629 8.203 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.422 5.820 7.032 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.775 5.765 8.776 1.00 0.00 H new ATOM 318 N THR A 22 -10.787 5.466 6.697 1.00 0.00 N ATOM 319 CA THR A 22 -11.299 6.343 5.651 1.00 0.00 C ATOM 320 C THR A 22 -10.198 7.237 5.095 1.00 0.00 C ATOM 321 O THR A 22 -9.281 7.631 5.817 1.00 0.00 O ATOM 322 CB THR A 22 -12.448 7.227 6.173 1.00 0.00 C ATOM 323 OG1 THR A 22 -13.319 6.456 7.009 1.00 0.00 O ATOM 324 CG2 THR A 22 -13.239 7.822 5.019 1.00 0.00 C ATOM 0 H THR A 22 -10.891 5.832 7.643 1.00 0.00 H new ATOM 0 HA THR A 22 -11.677 5.700 4.856 1.00 0.00 H new ATOM 0 HB THR A 22 -12.016 8.041 6.754 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.045 7.026 7.338 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.045 8.442 5.412 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.579 8.432 4.402 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.661 7.019 4.415 1.00 0.00 H new ATOM 332 N ILE A 23 -10.293 7.555 3.808 1.00 0.00 N ATOM 333 CA ILE A 23 -9.304 8.405 3.156 1.00 0.00 C ATOM 334 C ILE A 23 -9.333 9.817 3.727 1.00 0.00 C ATOM 335 O ILE A 23 -8.338 10.541 3.669 1.00 0.00 O ATOM 336 CB ILE A 23 -9.538 8.473 1.635 1.00 0.00 C ATOM 337 CG1 ILE A 23 -8.981 7.221 0.955 1.00 0.00 C ATOM 338 CG2 ILE A 23 -8.896 9.726 1.058 1.00 0.00 C ATOM 339 CD1 ILE A 23 -7.546 6.921 1.323 1.00 0.00 C ATOM 0 H ILE A 23 -11.045 7.237 3.196 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.328 7.959 3.346 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.611 8.518 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.602 6.366 1.222 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.053 7.342 -0.126 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.069 9.761 -0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.335 10.608 1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.824 9.708 1.252 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.218 6.020 0.804 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.913 7.759 1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.471 6.767 2.399 1.00 0.00 H new ATOM 351 N ALA A 24 -10.477 10.204 4.282 1.00 0.00 N ATOM 352 CA ALA A 24 -10.633 11.530 4.868 1.00 0.00 C ATOM 353 C ALA A 24 -10.886 12.579 3.791 1.00 0.00 C ATOM 354 O ALA A 24 -10.899 13.778 4.072 1.00 0.00 O ATOM 355 CB ALA A 24 -9.402 11.894 5.683 1.00 0.00 C ATOM 0 H ALA A 24 -11.310 9.618 4.338 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.500 11.509 5.529 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.532 12.886 6.115 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.266 11.165 6.482 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.524 11.892 5.037 1.00 0.00 H new ATOM 361 N GLN A 25 -11.085 12.121 2.559 1.00 0.00 N ATOM 362 CA GLN A 25 -11.337 13.023 1.441 1.00 0.00 C ATOM 363 C GLN A 25 -12.368 12.431 0.486 1.00 0.00 C ATOM 364 O GLN A 25 -13.445 12.995 0.293 1.00 0.00 O ATOM 365 CB GLN A 25 -10.036 13.312 0.690 1.00 0.00 C ATOM 366 CG GLN A 25 -9.416 14.654 1.044 1.00 0.00 C ATOM 367 CD GLN A 25 -9.017 14.745 2.504 1.00 0.00 C ATOM 368 OE1 GLN A 25 -9.525 15.586 3.247 1.00 0.00 O ATOM 369 NE2 GLN A 25 -8.102 13.879 2.924 1.00 0.00 N ATOM 0 H GLN A 25 -11.077 11.132 2.310 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.733 13.956 1.841 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.318 12.521 0.906 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.230 13.282 -0.382 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -8.538 14.820 0.420 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.125 15.449 0.815 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.707 13.199 2.274 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.794 13.894 3.896 1.00 0.00 H new ATOM 378 N CYS A 26 -12.032 11.291 -0.109 1.00 0.00 N ATOM 379 CA CYS A 26 -12.927 10.622 -1.044 1.00 0.00 C ATOM 380 C CYS A 26 -13.948 9.764 -0.302 1.00 0.00 C ATOM 381 O CYS A 26 -15.010 9.447 -0.835 1.00 0.00 O ATOM 382 CB CYS A 26 -12.127 9.755 -2.018 1.00 0.00 C ATOM 383 SG CYS A 26 -11.096 8.489 -1.210 1.00 0.00 S ATOM 0 H CYS A 26 -11.144 10.811 0.041 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.462 11.388 -1.606 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.818 9.263 -2.702 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.487 10.400 -2.620 1.00 0.00 H new ATOM 388 N GLN A 27 -13.616 9.394 0.931 1.00 0.00 N ATOM 389 CA GLN A 27 -14.503 8.572 1.746 1.00 0.00 C ATOM 390 C GLN A 27 -14.488 7.123 1.274 1.00 0.00 C ATOM 391 O GLN A 27 -15.533 6.550 0.962 1.00 0.00 O ATOM 392 CB GLN A 27 -15.929 9.123 1.698 1.00 0.00 C ATOM 393 CG GLN A 27 -16.001 10.638 1.804 1.00 0.00 C ATOM 394 CD GLN A 27 -15.762 11.136 3.216 1.00 0.00 C ATOM 395 OE1 GLN A 27 -16.703 11.317 3.989 1.00 0.00 O ATOM 396 NE2 GLN A 27 -14.499 11.361 3.560 1.00 0.00 N ATOM 0 H GLN A 27 -12.740 9.650 1.387 1.00 0.00 H new ATOM 0 HA GLN A 27 -14.144 8.603 2.775 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -16.399 8.810 0.766 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -16.507 8.683 2.510 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.262 11.081 1.137 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.980 10.976 1.464 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.750 11.197 2.887 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.278 11.697 4.497 1.00 0.00 H new ATOM 405 N CYS A 28 -13.299 6.533 1.222 1.00 0.00 N ATOM 406 CA CYS A 28 -13.147 5.150 0.788 1.00 0.00 C ATOM 407 C CYS A 28 -12.868 4.234 1.976 1.00 0.00 C ATOM 408 O CYS A 28 -12.893 4.670 3.128 1.00 0.00 O ATOM 409 CB CYS A 28 -12.015 5.036 -0.236 1.00 0.00 C ATOM 410 SG CYS A 28 -12.444 5.664 -1.892 1.00 0.00 S ATOM 0 H CYS A 28 -12.425 6.993 1.476 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.082 4.837 0.323 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.148 5.582 0.135 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.720 3.990 -0.321 1.00 0.00 H new ATOM 415 N ILE A 29 -12.602 2.964 1.687 1.00 0.00 N ATOM 416 CA ILE A 29 -12.317 1.988 2.731 1.00 0.00 C ATOM 417 C ILE A 29 -11.172 1.067 2.324 1.00 0.00 C ATOM 418 O ILE A 29 -11.193 0.471 1.246 1.00 0.00 O ATOM 419 CB ILE A 29 -13.557 1.134 3.056 1.00 0.00 C ATOM 420 CG1 ILE A 29 -13.612 0.827 4.553 1.00 0.00 C ATOM 421 CG2 ILE A 29 -13.540 -0.154 2.246 1.00 0.00 C ATOM 422 CD1 ILE A 29 -13.989 2.022 5.403 1.00 0.00 C ATOM 0 H ILE A 29 -12.578 2.588 0.739 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.030 2.550 3.620 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.450 1.698 2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.332 0.027 4.725 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -12.639 0.455 4.875 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -14.422 -0.747 2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.542 0.085 1.183 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.643 -0.724 2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.008 1.730 6.453 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -13.256 2.816 5.260 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -14.975 2.382 5.108 1.00 0.00 H new ATOM 434 N PHE A 30 -10.173 0.955 3.192 1.00 0.00 N ATOM 435 CA PHE A 30 -9.018 0.105 2.924 1.00 0.00 C ATOM 436 C PHE A 30 -8.389 -0.383 4.225 1.00 0.00 C ATOM 437 O PHE A 30 -8.132 0.404 5.138 1.00 0.00 O ATOM 438 CB PHE A 30 -7.981 0.866 2.095 1.00 0.00 C ATOM 439 CG PHE A 30 -8.533 1.437 0.820 1.00 0.00 C ATOM 440 CD1 PHE A 30 -8.663 0.645 -0.309 1.00 0.00 C ATOM 441 CD2 PHE A 30 -8.923 2.764 0.753 1.00 0.00 C ATOM 442 CE1 PHE A 30 -9.171 1.167 -1.484 1.00 0.00 C ATOM 443 CE2 PHE A 30 -9.432 3.292 -0.419 1.00 0.00 C ATOM 444 CZ PHE A 30 -9.555 2.493 -1.539 1.00 0.00 C ATOM 0 H PHE A 30 -10.139 1.442 4.088 1.00 0.00 H new ATOM 0 HA PHE A 30 -9.359 -0.763 2.359 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.569 1.676 2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.156 0.195 1.856 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.364 -0.392 -0.271 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.829 3.393 1.626 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.268 0.539 -2.358 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.733 4.328 -0.459 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.951 2.904 -2.456 1.00 0.00 H new ATOM 454 N CYS A 31 -8.141 -1.686 4.303 1.00 0.00 N ATOM 455 CA CYS A 31 -7.542 -2.281 5.492 1.00 0.00 C ATOM 456 C CYS A 31 -6.206 -1.620 5.817 1.00 0.00 C ATOM 457 O CYS A 31 -5.346 -1.470 4.947 1.00 0.00 O ATOM 458 CB CYS A 31 -7.345 -3.784 5.291 1.00 0.00 C ATOM 459 SG CYS A 31 -5.951 -4.212 4.198 1.00 0.00 S ATOM 0 H CYS A 31 -8.346 -2.350 3.557 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.220 -2.119 6.330 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.188 -4.252 6.263 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.260 -4.207 4.877 1.00 0.00 H new ATOM 464 N THR A 32 -6.037 -1.226 7.075 1.00 0.00 N ATOM 465 CA THR A 32 -4.807 -0.580 7.516 1.00 0.00 C ATOM 466 C THR A 32 -3.598 -1.137 6.773 1.00 0.00 C ATOM 467 O THR A 32 -2.795 -0.383 6.220 1.00 0.00 O ATOM 468 CB THR A 32 -4.590 -0.758 9.030 1.00 0.00 C ATOM 469 OG1 THR A 32 -5.676 -0.168 9.753 1.00 0.00 O ATOM 470 CG2 THR A 32 -3.279 -0.123 9.467 1.00 0.00 C ATOM 0 H THR A 32 -6.737 -1.343 7.807 1.00 0.00 H new ATOM 0 HA THR A 32 -4.911 0.482 7.294 1.00 0.00 H new ATOM 0 HB THR A 32 -4.548 -1.826 9.246 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.531 -0.287 10.715 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.148 -0.261 10.540 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.452 -0.594 8.936 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.297 0.943 9.238 1.00 0.00 H new ATOM 478 N LEU A 33 -3.473 -2.459 6.761 1.00 0.00 N ATOM 479 CA LEU A 33 -2.361 -3.118 6.084 1.00 0.00 C ATOM 480 C LEU A 33 -2.032 -2.416 4.770 1.00 0.00 C ATOM 481 O LEU A 33 -0.978 -1.795 4.633 1.00 0.00 O ATOM 482 CB LEU A 33 -2.696 -4.587 5.821 1.00 0.00 C ATOM 483 CG LEU A 33 -2.343 -5.567 6.941 1.00 0.00 C ATOM 484 CD1 LEU A 33 -0.843 -5.817 6.977 1.00 0.00 C ATOM 485 CD2 LEU A 33 -2.830 -5.040 8.283 1.00 0.00 C ATOM 0 H LEU A 33 -4.128 -3.097 7.213 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.487 -3.062 6.734 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.765 -4.665 5.621 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.178 -4.900 4.915 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.844 -6.514 6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.610 -6.516 7.780 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.521 -6.238 6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.321 -4.876 7.153 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.570 -5.750 9.068 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.357 -4.080 8.490 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.912 -4.912 8.253 1.00 0.00 H new ATOM 497 N CYS A 34 -2.941 -2.518 3.807 1.00 0.00 N ATOM 498 CA CYS A 34 -2.750 -1.893 2.504 1.00 0.00 C ATOM 499 C CYS A 34 -2.629 -0.378 2.640 1.00 0.00 C ATOM 500 O CYS A 34 -1.589 0.203 2.326 1.00 0.00 O ATOM 501 CB CYS A 34 -3.913 -2.240 1.572 1.00 0.00 C ATOM 502 SG CYS A 34 -4.281 -4.022 1.475 1.00 0.00 S ATOM 0 H CYS A 34 -3.819 -3.028 3.905 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.824 -2.278 2.077 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.805 -1.713 1.910 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.685 -1.872 0.572 1.00 0.00 H new ATOM 507 N LEU A 35 -3.697 0.255 3.111 1.00 0.00 N ATOM 508 CA LEU A 35 -3.711 1.703 3.290 1.00 0.00 C ATOM 509 C LEU A 35 -2.447 2.176 4.002 1.00 0.00 C ATOM 510 O LEU A 35 -2.081 3.350 3.926 1.00 0.00 O ATOM 511 CB LEU A 35 -4.947 2.127 4.087 1.00 0.00 C ATOM 512 CG LEU A 35 -5.275 3.620 4.072 1.00 0.00 C ATOM 513 CD1 LEU A 35 -5.516 4.100 2.650 1.00 0.00 C ATOM 514 CD2 LEU A 35 -6.488 3.907 4.947 1.00 0.00 C ATOM 0 H LEU A 35 -4.565 -0.211 3.376 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.746 2.165 2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.808 1.582 3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.811 1.816 5.123 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.422 4.164 4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.748 5.165 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.621 3.929 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.352 3.551 2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.708 4.974 4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.347 3.352 4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.278 3.601 5.972 1.00 0.00 H new ATOM 526 N LYS A 36 -1.782 1.256 4.690 1.00 0.00 N ATOM 527 CA LYS A 36 -0.557 1.576 5.413 1.00 0.00 C ATOM 528 C LYS A 36 0.669 1.334 4.539 1.00 0.00 C ATOM 529 O LYS A 36 1.327 2.278 4.103 1.00 0.00 O ATOM 530 CB LYS A 36 -0.459 0.738 6.690 1.00 0.00 C ATOM 531 CG LYS A 36 0.875 0.870 7.403 1.00 0.00 C ATOM 532 CD LYS A 36 1.385 -0.478 7.886 1.00 0.00 C ATOM 533 CE LYS A 36 2.343 -0.324 9.057 1.00 0.00 C ATOM 534 NZ LYS A 36 3.198 -1.531 9.236 1.00 0.00 N ATOM 0 H LYS A 36 -2.071 0.280 4.763 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.589 2.632 5.681 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.256 1.035 7.371 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.626 -0.310 6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.606 1.316 6.729 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.770 1.546 8.252 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.542 -1.102 8.184 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.889 -0.992 7.068 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.976 0.549 8.896 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.775 -0.142 9.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.837 -1.387 10.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.596 -2.360 9.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.759 -1.690 8.375 1.00 0.00 H new ATOM 548 N GLN A 37 0.968 0.063 4.285 1.00 0.00 N ATOM 549 CA GLN A 37 2.115 -0.301 3.462 1.00 0.00 C ATOM 550 C GLN A 37 2.239 0.627 2.259 1.00 0.00 C ATOM 551 O GLN A 37 3.325 0.801 1.705 1.00 0.00 O ATOM 552 CB GLN A 37 1.992 -1.751 2.991 1.00 0.00 C ATOM 553 CG GLN A 37 3.197 -2.609 3.341 1.00 0.00 C ATOM 554 CD GLN A 37 2.816 -4.033 3.696 1.00 0.00 C ATOM 555 OE1 GLN A 37 3.404 -4.990 3.191 1.00 0.00 O ATOM 556 NE2 GLN A 37 1.827 -4.182 4.569 1.00 0.00 N ATOM 0 H GLN A 37 0.432 -0.730 4.637 1.00 0.00 H new ATOM 0 HA GLN A 37 3.013 -0.199 4.071 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.100 -2.194 3.434 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.850 -1.762 1.910 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.887 -2.621 2.497 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.727 -2.159 4.180 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.367 -3.362 4.963 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.527 -5.117 4.845 1.00 0.00 H new ATOM 565 N TYR A 38 1.120 1.222 1.860 1.00 0.00 N ATOM 566 CA TYR A 38 1.102 2.131 0.720 1.00 0.00 C ATOM 567 C TYR A 38 1.557 3.528 1.130 1.00 0.00 C ATOM 568 O TYR A 38 2.605 4.005 0.696 1.00 0.00 O ATOM 569 CB TYR A 38 -0.301 2.196 0.114 1.00 0.00 C ATOM 570 CG TYR A 38 -0.760 3.602 -0.201 1.00 0.00 C ATOM 571 CD1 TYR A 38 -1.990 4.068 0.245 1.00 0.00 C ATOM 572 CD2 TYR A 38 0.037 4.464 -0.944 1.00 0.00 C ATOM 573 CE1 TYR A 38 -2.415 5.352 -0.041 1.00 0.00 C ATOM 574 CE2 TYR A 38 -0.378 5.750 -1.233 1.00 0.00 C ATOM 575 CZ TYR A 38 -1.605 6.188 -0.779 1.00 0.00 C ATOM 576 OH TYR A 38 -2.023 7.467 -1.067 1.00 0.00 O ATOM 0 H TYR A 38 0.214 1.091 2.309 1.00 0.00 H new ATOM 0 HA TYR A 38 1.796 1.748 -0.028 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.321 1.603 -0.800 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.008 1.738 0.806 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.626 3.416 0.825 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.997 4.123 -1.302 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.375 5.698 0.312 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.254 6.408 -1.811 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.193 7.547 -2.029 1.00 0.00 H new ATOM 586 N VAL A 39 0.759 4.179 1.971 1.00 0.00 N ATOM 587 CA VAL A 39 1.079 5.521 2.443 1.00 0.00 C ATOM 588 C VAL A 39 2.376 5.529 3.242 1.00 0.00 C ATOM 589 O VAL A 39 3.271 6.333 2.985 1.00 0.00 O ATOM 590 CB VAL A 39 -0.053 6.094 3.317 1.00 0.00 C ATOM 591 CG1 VAL A 39 -1.380 6.040 2.575 1.00 0.00 C ATOM 592 CG2 VAL A 39 -0.140 5.339 4.636 1.00 0.00 C ATOM 0 H VAL A 39 -0.113 3.799 2.339 1.00 0.00 H new ATOM 0 HA VAL A 39 1.197 6.147 1.558 1.00 0.00 H new ATOM 0 HB VAL A 39 0.172 7.138 3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.168 6.449 3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.309 6.627 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.615 5.005 2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.945 5.756 5.242 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.342 4.286 4.440 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.804 5.433 5.172 1.00 0.00 H new ATOM 602 N GLU A 40 2.472 4.626 4.214 1.00 0.00 N ATOM 603 CA GLU A 40 3.661 4.529 5.052 1.00 0.00 C ATOM 604 C GLU A 40 4.928 4.694 4.219 1.00 0.00 C ATOM 605 O GLU A 40 5.958 5.150 4.718 1.00 0.00 O ATOM 606 CB GLU A 40 3.689 3.184 5.783 1.00 0.00 C ATOM 607 CG GLU A 40 4.180 3.281 7.217 1.00 0.00 C ATOM 608 CD GLU A 40 5.406 2.425 7.473 1.00 0.00 C ATOM 609 OE1 GLU A 40 5.244 1.296 7.981 1.00 0.00 O ATOM 610 OE2 GLU A 40 6.525 2.885 7.164 1.00 0.00 O ATOM 0 H GLU A 40 1.741 3.952 4.440 1.00 0.00 H new ATOM 0 HA GLU A 40 3.623 5.333 5.787 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.686 2.757 5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.331 2.495 5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.413 4.321 7.448 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.381 2.976 7.892 1.00 0.00 H new ATOM 617 N LEU A 41 4.846 4.320 2.947 1.00 0.00 N ATOM 618 CA LEU A 41 5.987 4.425 2.043 1.00 0.00 C ATOM 619 C LEU A 41 6.079 5.826 1.445 1.00 0.00 C ATOM 620 O LEU A 41 7.169 6.384 1.309 1.00 0.00 O ATOM 621 CB LEU A 41 5.874 3.388 0.925 1.00 0.00 C ATOM 622 CG LEU A 41 6.648 2.086 1.137 1.00 0.00 C ATOM 623 CD1 LEU A 41 8.145 2.354 1.164 1.00 0.00 C ATOM 624 CD2 LEU A 41 6.204 1.405 2.423 1.00 0.00 C ATOM 0 H LEU A 41 4.002 3.941 2.518 1.00 0.00 H new ATOM 0 HA LEU A 41 6.894 4.234 2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.821 3.143 0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.218 3.845 -0.003 1.00 0.00 H new ATOM 0 HG LEU A 41 6.433 1.418 0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.680 1.416 1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.452 2.798 0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.377 3.040 1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.765 0.480 2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.389 2.068 3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.139 1.178 2.366 1.00 0.00 H new ATOM 636 N LEU A 42 4.929 6.390 1.091 1.00 0.00 N ATOM 637 CA LEU A 42 4.880 7.727 0.510 1.00 0.00 C ATOM 638 C LEU A 42 4.787 8.791 1.599 1.00 0.00 C ATOM 639 O LEU A 42 5.676 9.633 1.735 1.00 0.00 O ATOM 640 CB LEU A 42 3.686 7.847 -0.439 1.00 0.00 C ATOM 641 CG LEU A 42 3.860 7.211 -1.820 1.00 0.00 C ATOM 642 CD1 LEU A 42 2.505 6.937 -2.454 1.00 0.00 C ATOM 643 CD2 LEU A 42 4.700 8.107 -2.718 1.00 0.00 C ATOM 0 H LEU A 42 4.019 5.942 1.196 1.00 0.00 H new ATOM 0 HA LEU A 42 5.801 7.887 -0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.819 7.394 0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.459 8.905 -0.574 1.00 0.00 H new ATOM 0 HG LEU A 42 4.381 6.261 -1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.647 6.485 -3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.937 6.256 -1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.958 7.873 -2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.813 7.639 -3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.207 9.072 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.683 8.253 -2.270 1.00 0.00 H new ATOM 655 N ILE A 43 3.708 8.746 2.373 1.00 0.00 N ATOM 656 CA ILE A 43 3.503 9.705 3.451 1.00 0.00 C ATOM 657 C ILE A 43 4.807 9.989 4.190 1.00 0.00 C ATOM 658 O ILE A 43 4.972 11.050 4.794 1.00 0.00 O ATOM 659 CB ILE A 43 2.454 9.199 4.461 1.00 0.00 C ATOM 660 CG1 ILE A 43 1.404 10.281 4.723 1.00 0.00 C ATOM 661 CG2 ILE A 43 3.127 8.781 5.760 1.00 0.00 C ATOM 662 CD1 ILE A 43 0.131 10.092 3.928 1.00 0.00 C ATOM 0 H ILE A 43 2.963 8.056 2.274 1.00 0.00 H new ATOM 0 HA ILE A 43 3.141 10.625 2.991 1.00 0.00 H new ATOM 0 HB ILE A 43 1.954 8.328 4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.161 10.291 5.786 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.831 11.255 4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.373 8.426 6.463 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.841 7.982 5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.650 9.635 6.190 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.568 10.895 4.164 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.361 10.112 2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.319 9.133 4.184 1.00 0.00 H new ATOM 674 N LYS A 44 5.730 9.037 4.136 1.00 0.00 N ATOM 675 CA LYS A 44 7.022 9.186 4.797 1.00 0.00 C ATOM 676 C LYS A 44 7.942 10.099 3.993 1.00 0.00 C ATOM 677 O LYS A 44 8.496 11.061 4.525 1.00 0.00 O ATOM 678 CB LYS A 44 7.682 7.817 4.986 1.00 0.00 C ATOM 679 CG LYS A 44 7.942 7.464 6.440 1.00 0.00 C ATOM 680 CD LYS A 44 6.665 7.506 7.261 1.00 0.00 C ATOM 681 CE LYS A 44 6.054 6.121 7.414 1.00 0.00 C ATOM 682 NZ LYS A 44 5.723 5.814 8.832 1.00 0.00 N ATOM 0 H LYS A 44 5.609 8.153 3.642 1.00 0.00 H new ATOM 0 HA LYS A 44 6.853 9.639 5.774 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.045 7.051 4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.626 7.800 4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.382 6.469 6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.669 8.160 6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.878 7.922 8.246 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.946 8.171 6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.151 6.054 6.808 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.750 5.373 7.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.652 4.784 8.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.470 6.187 9.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.815 6.256 9.080 1.00 0.00 H new ATOM 696 N GLU A 45 8.101 9.790 2.710 1.00 0.00 N ATOM 697 CA GLU A 45 8.954 10.585 1.833 1.00 0.00 C ATOM 698 C GLU A 45 8.320 11.942 1.541 1.00 0.00 C ATOM 699 O GLU A 45 8.948 12.984 1.723 1.00 0.00 O ATOM 700 CB GLU A 45 9.214 9.838 0.523 1.00 0.00 C ATOM 701 CG GLU A 45 10.665 9.881 0.075 1.00 0.00 C ATOM 702 CD GLU A 45 11.421 8.615 0.426 1.00 0.00 C ATOM 703 OE1 GLU A 45 10.765 7.585 0.683 1.00 0.00 O ATOM 704 OE2 GLU A 45 12.670 8.655 0.444 1.00 0.00 O ATOM 0 H GLU A 45 7.651 8.996 2.255 1.00 0.00 H new ATOM 0 HA GLU A 45 9.903 10.749 2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.910 8.798 0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.588 10.266 -0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.704 10.036 -1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.159 10.735 0.538 1.00 0.00 H new ATOM 711 N GLY A 46 7.072 11.920 1.085 1.00 0.00 N ATOM 712 CA GLY A 46 6.373 13.153 0.775 1.00 0.00 C ATOM 713 C GLY A 46 7.167 14.050 -0.155 1.00 0.00 C ATOM 714 O GLY A 46 7.407 15.218 0.153 1.00 0.00 O ATOM 0 H GLY A 46 6.532 11.070 0.925 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.413 12.918 0.316 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.161 13.690 1.700 1.00 0.00 H new ATOM 718 N LEU A 47 7.577 13.504 -1.294 1.00 0.00 N ATOM 719 CA LEU A 47 8.350 14.262 -2.272 1.00 0.00 C ATOM 720 C LEU A 47 7.431 15.034 -3.212 1.00 0.00 C ATOM 721 O LEU A 47 7.838 16.026 -3.816 1.00 0.00 O ATOM 722 CB LEU A 47 9.251 13.324 -3.076 1.00 0.00 C ATOM 723 CG LEU A 47 8.569 12.103 -3.694 1.00 0.00 C ATOM 724 CD1 LEU A 47 9.212 11.749 -5.026 1.00 0.00 C ATOM 725 CD2 LEU A 47 8.628 10.920 -2.740 1.00 0.00 C ATOM 0 H LEU A 47 7.387 12.539 -1.564 1.00 0.00 H new ATOM 0 HA LEU A 47 8.971 14.978 -1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.717 13.898 -3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.053 12.976 -2.425 1.00 0.00 H new ATOM 0 HG LEU A 47 7.522 12.348 -3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.713 10.878 -5.451 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.117 12.591 -5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.267 11.524 -4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 47 8.138 10.060 -3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.669 10.675 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.120 11.176 -1.811 1.00 0.00 H new ATOM 737 N GLU A 48 6.190 14.572 -3.330 1.00 0.00 N ATOM 738 CA GLU A 48 5.213 15.222 -4.197 1.00 0.00 C ATOM 739 C GLU A 48 4.011 14.313 -4.437 1.00 0.00 C ATOM 740 O GLU A 48 2.914 14.783 -4.741 1.00 0.00 O ATOM 741 CB GLU A 48 5.855 15.600 -5.533 1.00 0.00 C ATOM 742 CG GLU A 48 6.875 14.587 -6.026 1.00 0.00 C ATOM 743 CD GLU A 48 6.690 14.240 -7.490 1.00 0.00 C ATOM 744 OE1 GLU A 48 6.211 15.107 -8.249 1.00 0.00 O ATOM 745 OE2 GLU A 48 7.025 13.100 -7.877 1.00 0.00 O ATOM 0 H GLU A 48 5.838 13.751 -2.837 1.00 0.00 H new ATOM 0 HA GLU A 48 4.869 16.128 -3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.073 15.711 -6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.339 16.571 -5.432 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.879 14.984 -5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.798 13.679 -5.428 1.00 0.00 H new ATOM 752 N THR A 49 4.225 13.009 -4.298 1.00 0.00 N ATOM 753 CA THR A 49 3.160 12.033 -4.501 1.00 0.00 C ATOM 754 C THR A 49 1.858 12.500 -3.861 1.00 0.00 C ATOM 755 O THR A 49 0.772 12.106 -4.286 1.00 0.00 O ATOM 756 CB THR A 49 3.541 10.658 -3.922 1.00 0.00 C ATOM 757 OG1 THR A 49 4.836 10.269 -4.392 1.00 0.00 O ATOM 758 CG2 THR A 49 2.517 9.604 -4.313 1.00 0.00 C ATOM 0 H THR A 49 5.126 12.603 -4.046 1.00 0.00 H new ATOM 0 HA THR A 49 3.018 11.938 -5.578 1.00 0.00 H new ATOM 0 HB THR A 49 3.559 10.739 -2.835 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.746 9.521 -5.018 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.807 8.641 -3.893 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.538 9.888 -3.928 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.471 9.527 -5.399 1.00 0.00 H new ATOM 766 N ALA A 50 1.974 13.341 -2.839 1.00 0.00 N ATOM 767 CA ALA A 50 0.805 13.862 -2.143 1.00 0.00 C ATOM 768 C ALA A 50 -0.075 12.732 -1.623 1.00 0.00 C ATOM 769 O ALA A 50 -1.219 12.954 -1.226 1.00 0.00 O ATOM 770 CB ALA A 50 0.007 14.775 -3.062 1.00 0.00 C ATOM 0 H ALA A 50 2.866 13.676 -2.475 1.00 0.00 H new ATOM 0 HA ALA A 50 1.152 14.440 -1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.864 15.157 -2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.633 15.609 -3.379 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.321 14.214 -3.937 1.00 0.00 H new ATOM 776 N ILE A 51 0.467 11.518 -1.627 1.00 0.00 N ATOM 777 CA ILE A 51 -0.271 10.352 -1.156 1.00 0.00 C ATOM 778 C ILE A 51 -1.741 10.433 -1.551 1.00 0.00 C ATOM 779 O ILE A 51 -2.572 10.935 -0.793 1.00 0.00 O ATOM 780 CB ILE A 51 -0.169 10.202 0.374 1.00 0.00 C ATOM 781 CG1 ILE A 51 1.283 9.954 0.788 1.00 0.00 C ATOM 782 CG2 ILE A 51 -1.064 9.071 0.856 1.00 0.00 C ATOM 783 CD1 ILE A 51 2.247 10.999 0.271 1.00 0.00 C ATOM 0 H ILE A 51 1.413 11.317 -1.951 1.00 0.00 H new ATOM 0 HA ILE A 51 0.181 9.481 -1.630 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.506 11.129 0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.342 9.924 1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.593 8.974 0.425 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.981 8.978 1.939 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.099 9.287 0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.755 8.137 0.386 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.257 10.759 0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.218 11.014 -0.818 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.962 11.979 0.655 1.00 0.00 H new ATOM 795 N SER A 52 -2.057 9.935 -2.742 1.00 0.00 N ATOM 796 CA SER A 52 -3.428 9.955 -3.239 1.00 0.00 C ATOM 797 C SER A 52 -4.081 8.586 -3.081 1.00 0.00 C ATOM 798 O SER A 52 -3.404 7.556 -3.087 1.00 0.00 O ATOM 799 CB SER A 52 -3.454 10.377 -4.709 1.00 0.00 C ATOM 800 OG SER A 52 -2.372 9.805 -5.424 1.00 0.00 O ATOM 0 H SER A 52 -1.383 9.513 -3.381 1.00 0.00 H new ATOM 0 HA SER A 52 -3.992 10.679 -2.651 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.396 10.069 -5.162 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.406 11.464 -4.779 1.00 0.00 H new ATOM 0 HG SER A 52 -2.413 10.089 -6.361 1.00 0.00 H new ATOM 806 N CYS A 53 -5.404 8.581 -2.939 1.00 0.00 N ATOM 807 CA CYS A 53 -6.151 7.339 -2.779 1.00 0.00 C ATOM 808 C CYS A 53 -5.512 6.211 -3.584 1.00 0.00 C ATOM 809 O CYS A 53 -5.124 6.382 -4.739 1.00 0.00 O ATOM 810 CB CYS A 53 -7.604 7.535 -3.217 1.00 0.00 C ATOM 811 SG CYS A 53 -8.636 6.042 -3.055 1.00 0.00 S ATOM 0 H CYS A 53 -5.979 9.423 -2.932 1.00 0.00 H new ATOM 0 HA CYS A 53 -6.130 7.064 -1.724 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.046 8.336 -2.624 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.618 7.863 -4.256 1.00 0.00 H new ATOM 816 N PRO A 54 -5.400 5.029 -2.959 1.00 0.00 N ATOM 817 CA PRO A 54 -4.810 3.849 -3.598 1.00 0.00 C ATOM 818 C PRO A 54 -5.692 3.290 -4.709 1.00 0.00 C ATOM 819 O PRO A 54 -5.371 2.266 -5.313 1.00 0.00 O ATOM 820 CB PRO A 54 -4.695 2.844 -2.450 1.00 0.00 C ATOM 821 CG PRO A 54 -5.747 3.256 -1.478 1.00 0.00 C ATOM 822 CD PRO A 54 -5.842 4.754 -1.582 1.00 0.00 C ATOM 0 HA PRO A 54 -3.859 4.078 -4.078 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.856 1.824 -2.799 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.704 2.873 -1.997 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.702 2.787 -1.714 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.484 2.951 -0.465 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.859 5.105 -1.409 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.205 5.249 -0.849 1.00 0.00 H new ATOM 830 N ASP A 55 -6.803 3.968 -4.974 1.00 0.00 N ATOM 831 CA ASP A 55 -7.731 3.539 -6.015 1.00 0.00 C ATOM 832 C ASP A 55 -7.649 4.460 -7.229 1.00 0.00 C ATOM 833 O ASP A 55 -8.369 5.454 -7.315 1.00 0.00 O ATOM 834 CB ASP A 55 -9.162 3.514 -5.474 1.00 0.00 C ATOM 835 CG ASP A 55 -10.152 2.967 -6.483 1.00 0.00 C ATOM 836 OD1 ASP A 55 -9.738 2.168 -7.348 1.00 0.00 O ATOM 837 OD2 ASP A 55 -11.342 3.336 -6.405 1.00 0.00 O ATOM 0 H ASP A 55 -7.083 4.817 -4.483 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.451 2.532 -6.325 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.195 2.906 -4.570 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.458 4.524 -5.190 1.00 0.00 H new ATOM 842 N ALA A 56 -6.767 4.121 -8.163 1.00 0.00 N ATOM 843 CA ALA A 56 -6.592 4.916 -9.373 1.00 0.00 C ATOM 844 C ALA A 56 -7.909 5.066 -10.126 1.00 0.00 C ATOM 845 O ALA A 56 -8.024 5.887 -11.036 1.00 0.00 O ATOM 846 CB ALA A 56 -5.537 4.286 -10.270 1.00 0.00 C ATOM 0 H ALA A 56 -6.162 3.301 -8.105 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.256 5.911 -9.080 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.417 4.890 -11.170 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.588 4.237 -9.736 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.850 3.279 -10.548 1.00 0.00 H new ATOM 852 N ALA A 57 -8.900 4.267 -9.743 1.00 0.00 N ATOM 853 CA ALA A 57 -10.209 4.314 -10.382 1.00 0.00 C ATOM 854 C ALA A 57 -11.236 4.992 -9.481 1.00 0.00 C ATOM 855 O ALA A 57 -12.443 4.851 -9.682 1.00 0.00 O ATOM 856 CB ALA A 57 -10.669 2.908 -10.744 1.00 0.00 C ATOM 0 H ALA A 57 -8.821 3.580 -8.993 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.120 4.903 -11.295 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.648 2.957 -11.221 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.953 2.457 -11.431 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.735 2.303 -9.840 1.00 0.00 H new ATOM 862 N CYS A 58 -10.750 5.728 -8.488 1.00 0.00 N ATOM 863 CA CYS A 58 -11.625 6.429 -7.555 1.00 0.00 C ATOM 864 C CYS A 58 -12.376 7.557 -8.257 1.00 0.00 C ATOM 865 O CYS A 58 -11.803 8.344 -9.010 1.00 0.00 O ATOM 866 CB CYS A 58 -10.814 6.990 -6.386 1.00 0.00 C ATOM 867 SG CYS A 58 -11.825 7.519 -4.966 1.00 0.00 S ATOM 0 H CYS A 58 -9.754 5.855 -8.308 1.00 0.00 H new ATOM 0 HA CYS A 58 -12.354 5.715 -7.172 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.106 6.232 -6.052 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -10.229 7.839 -6.738 1.00 0.00 H new ATOM 872 N PRO A 59 -13.690 7.639 -8.004 1.00 0.00 N ATOM 873 CA PRO A 59 -14.549 8.667 -8.601 1.00 0.00 C ATOM 874 C PRO A 59 -14.256 10.058 -8.048 1.00 0.00 C ATOM 875 O PRO A 59 -14.690 11.065 -8.610 1.00 0.00 O ATOM 876 CB PRO A 59 -15.960 8.222 -8.209 1.00 0.00 C ATOM 877 CG PRO A 59 -15.773 7.416 -6.971 1.00 0.00 C ATOM 878 CD PRO A 59 -14.441 6.735 -7.116 1.00 0.00 C ATOM 0 HA PRO A 59 -14.398 8.751 -9.677 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -16.610 9.079 -8.029 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -16.423 7.631 -9.000 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -15.792 8.051 -6.085 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.574 6.686 -6.856 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -13.945 6.614 -6.153 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -14.543 5.740 -7.549 1.00 0.00 H new ATOM 886 N LYS A 60 -13.517 10.109 -6.945 1.00 0.00 N ATOM 887 CA LYS A 60 -13.164 11.375 -6.317 1.00 0.00 C ATOM 888 C LYS A 60 -11.652 11.508 -6.170 1.00 0.00 C ATOM 889 O LYS A 60 -11.131 12.608 -5.991 1.00 0.00 O ATOM 890 CB LYS A 60 -13.833 11.492 -4.945 1.00 0.00 C ATOM 891 CG LYS A 60 -15.172 10.781 -4.859 1.00 0.00 C ATOM 892 CD LYS A 60 -16.172 11.574 -4.035 1.00 0.00 C ATOM 893 CE LYS A 60 -16.995 10.667 -3.132 1.00 0.00 C ATOM 894 NZ LYS A 60 -18.021 11.428 -2.368 1.00 0.00 N ATOM 0 H LYS A 60 -13.151 9.286 -6.467 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.521 12.181 -6.958 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.164 11.082 -4.188 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.975 12.546 -4.708 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.568 10.626 -5.863 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.034 9.795 -4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.643 12.310 -3.429 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.836 12.127 -4.700 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -17.484 9.902 -3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.334 10.150 -2.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.560 10.774 -1.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.553 12.141 -1.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.668 11.901 -3.031 1.00 0.00 H new ATOM 908 N GLN A 61 -10.953 10.380 -6.247 1.00 0.00 N ATOM 909 CA GLN A 61 -9.501 10.371 -6.123 1.00 0.00 C ATOM 910 C GLN A 61 -9.032 11.438 -5.140 1.00 0.00 C ATOM 911 O GLN A 61 -8.391 12.415 -5.527 1.00 0.00 O ATOM 912 CB GLN A 61 -8.850 10.597 -7.489 1.00 0.00 C ATOM 913 CG GLN A 61 -9.580 11.616 -8.350 1.00 0.00 C ATOM 914 CD GLN A 61 -8.784 12.022 -9.573 1.00 0.00 C ATOM 915 OE1 GLN A 61 -8.097 13.044 -9.571 1.00 0.00 O ATOM 916 NE2 GLN A 61 -8.872 11.222 -10.630 1.00 0.00 N ATOM 0 H GLN A 61 -11.369 9.461 -6.395 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.200 9.395 -5.742 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.822 10.928 -7.342 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.806 9.648 -8.023 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -10.537 11.201 -8.665 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.798 12.501 -7.753 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.453 10.385 -10.589 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.358 11.445 -11.483 1.00 0.00 H new ATOM 925 N GLY A 62 -9.356 11.245 -3.865 1.00 0.00 N ATOM 926 CA GLY A 62 -8.960 12.200 -2.847 1.00 0.00 C ATOM 927 C GLY A 62 -7.547 11.967 -2.351 1.00 0.00 C ATOM 928 O GLY A 62 -7.012 10.865 -2.475 1.00 0.00 O ATOM 0 H GLY A 62 -9.885 10.445 -3.519 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.038 13.210 -3.250 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.651 12.138 -2.007 1.00 0.00 H new ATOM 932 N HIS A 63 -6.939 13.007 -1.790 1.00 0.00 N ATOM 933 CA HIS A 63 -5.577 12.911 -1.275 1.00 0.00 C ATOM 934 C HIS A 63 -5.582 12.594 0.217 1.00 0.00 C ATOM 935 O HIS A 63 -6.628 12.626 0.867 1.00 0.00 O ATOM 936 CB HIS A 63 -4.821 14.216 -1.528 1.00 0.00 C ATOM 937 CG HIS A 63 -4.417 14.406 -2.958 1.00 0.00 C ATOM 938 ND1 HIS A 63 -5.075 15.258 -3.819 1.00 0.00 N ATOM 939 CD2 HIS A 63 -3.414 13.848 -3.676 1.00 0.00 C ATOM 940 CE1 HIS A 63 -4.496 15.217 -5.005 1.00 0.00 C ATOM 941 NE2 HIS A 63 -3.484 14.369 -4.945 1.00 0.00 N ATOM 0 H HIS A 63 -7.367 13.926 -1.680 1.00 0.00 H new ATOM 0 HA HIS A 63 -5.072 12.100 -1.800 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.447 15.054 -1.221 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.930 14.237 -0.901 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.693 13.128 -3.318 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.798 15.780 -5.876 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -2.857 14.139 -5.716 1.00 0.00 H new ATOM 949 N LEU A 64 -4.407 12.285 0.754 1.00 0.00 N ATOM 950 CA LEU A 64 -4.275 11.960 2.171 1.00 0.00 C ATOM 951 C LEU A 64 -3.368 12.962 2.878 1.00 0.00 C ATOM 952 O LEU A 64 -2.554 13.631 2.242 1.00 0.00 O ATOM 953 CB LEU A 64 -3.721 10.545 2.340 1.00 0.00 C ATOM 954 CG LEU A 64 -4.675 9.403 1.992 1.00 0.00 C ATOM 955 CD1 LEU A 64 -3.897 8.163 1.581 1.00 0.00 C ATOM 956 CD2 LEU A 64 -5.591 9.096 3.168 1.00 0.00 C ATOM 0 H LEU A 64 -3.532 12.252 0.231 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.265 12.012 2.624 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.830 10.449 1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.403 10.423 3.375 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.292 9.715 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.593 7.361 1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.285 8.390 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.254 7.848 2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.263 8.280 2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.991 8.805 4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.176 9.982 3.415 1.00 0.00 H new ATOM 968 N GLN A 65 -3.514 13.059 4.195 1.00 0.00 N ATOM 969 CA GLN A 65 -2.706 13.978 4.987 1.00 0.00 C ATOM 970 C GLN A 65 -1.377 13.339 5.376 1.00 0.00 C ATOM 971 O GLN A 65 -1.255 12.115 5.416 1.00 0.00 O ATOM 972 CB GLN A 65 -3.467 14.406 6.244 1.00 0.00 C ATOM 973 CG GLN A 65 -4.943 14.042 6.214 1.00 0.00 C ATOM 974 CD GLN A 65 -5.201 12.613 6.646 1.00 0.00 C ATOM 975 OE1 GLN A 65 -4.184 11.767 6.534 1.00 0.00 O flip ATOM 976 NE2 GLN A 65 -6.303 12.271 7.075 1.00 0.00 N flip ATOM 0 H GLN A 65 -4.184 12.513 4.736 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.500 14.858 4.378 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.004 13.942 7.115 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.370 15.484 6.368 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.494 14.720 6.867 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.329 14.188 5.205 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.058 12.954 7.145 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.462 11.305 7.361 1.00 0.00 H new ATOM 985 N GLU A 66 -0.385 14.176 5.660 1.00 0.00 N ATOM 986 CA GLU A 66 0.936 13.692 6.045 1.00 0.00 C ATOM 987 C GLU A 66 1.041 13.541 7.560 1.00 0.00 C ATOM 988 O GLU A 66 1.882 12.797 8.063 1.00 0.00 O ATOM 989 CB GLU A 66 2.021 14.645 5.540 1.00 0.00 C ATOM 990 CG GLU A 66 2.536 14.301 4.152 1.00 0.00 C ATOM 991 CD GLU A 66 3.922 14.857 3.891 1.00 0.00 C ATOM 992 OE1 GLU A 66 4.775 14.103 3.375 1.00 0.00 O ATOM 993 OE2 GLU A 66 4.154 16.044 4.200 1.00 0.00 O ATOM 0 H GLU A 66 -0.470 15.192 5.631 1.00 0.00 H new ATOM 0 HA GLU A 66 1.082 12.713 5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.625 15.660 5.530 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.856 14.636 6.241 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.555 13.218 4.033 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.845 14.692 3.405 1.00 0.00 H new ATOM 1000 N ASN A 67 0.181 14.253 8.280 1.00 0.00 N ATOM 1001 CA ASN A 67 0.177 14.200 9.737 1.00 0.00 C ATOM 1002 C ASN A 67 -0.785 13.128 10.240 1.00 0.00 C ATOM 1003 O ASN A 67 -0.406 12.262 11.030 1.00 0.00 O ATOM 1004 CB ASN A 67 -0.212 15.562 10.317 1.00 0.00 C ATOM 1005 CG ASN A 67 -0.480 16.594 9.239 1.00 0.00 C ATOM 1006 OD1 ASN A 67 0.347 16.808 8.351 1.00 0.00 O ATOM 1007 ND2 ASN A 67 -1.638 17.239 9.312 1.00 0.00 N ATOM 0 H ASN A 67 -0.522 14.873 7.878 1.00 0.00 H new ATOM 0 HA ASN A 67 1.183 13.945 10.069 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.101 15.449 10.937 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.587 15.919 10.967 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.873 17.945 8.614 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.292 17.029 10.066 1.00 0.00 H new ATOM 1014 N GLU A 68 -2.029 13.192 9.776 1.00 0.00 N ATOM 1015 CA GLU A 68 -3.044 12.226 10.180 1.00 0.00 C ATOM 1016 C GLU A 68 -2.582 10.799 9.897 1.00 0.00 C ATOM 1017 O GLU A 68 -2.514 9.967 10.802 1.00 0.00 O ATOM 1018 CB GLU A 68 -4.361 12.501 9.449 1.00 0.00 C ATOM 1019 CG GLU A 68 -5.460 13.031 10.354 1.00 0.00 C ATOM 1020 CD GLU A 68 -6.348 11.930 10.901 1.00 0.00 C ATOM 1021 OE1 GLU A 68 -5.805 10.891 11.333 1.00 0.00 O ATOM 1022 OE2 GLU A 68 -7.583 12.106 10.896 1.00 0.00 O ATOM 0 H GLU A 68 -2.358 13.901 9.121 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.202 12.332 11.253 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.180 13.221 8.651 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.704 11.580 8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.010 13.576 11.184 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.071 13.743 9.799 1.00 0.00 H new ATOM 1029 N ILE A 69 -2.266 10.526 8.636 1.00 0.00 N ATOM 1030 CA ILE A 69 -1.808 9.202 8.233 1.00 0.00 C ATOM 1031 C ILE A 69 -0.646 8.733 9.103 1.00 0.00 C ATOM 1032 O ILE A 69 -0.754 7.734 9.815 1.00 0.00 O ATOM 1033 CB ILE A 69 -1.371 9.181 6.758 1.00 0.00 C ATOM 1034 CG1 ILE A 69 -2.589 9.305 5.840 1.00 0.00 C ATOM 1035 CG2 ILE A 69 -0.599 7.907 6.452 1.00 0.00 C ATOM 1036 CD1 ILE A 69 -2.587 8.316 4.695 1.00 0.00 C ATOM 0 H ILE A 69 -2.319 11.204 7.876 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.652 8.525 8.362 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.715 10.033 6.577 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.494 9.163 6.430 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.627 10.316 5.436 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.297 7.907 5.405 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.287 7.857 7.085 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.233 7.042 6.646 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.479 8.462 4.086 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.700 8.472 4.081 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.580 7.301 5.091 1.00 0.00 H new ATOM 1048 N GLU A 70 0.463 9.463 9.042 1.00 0.00 N ATOM 1049 CA GLU A 70 1.645 9.122 9.825 1.00 0.00 C ATOM 1050 C GLU A 70 1.289 8.943 11.298 1.00 0.00 C ATOM 1051 O GLU A 70 2.020 8.298 12.051 1.00 0.00 O ATOM 1052 CB GLU A 70 2.713 10.207 9.676 1.00 0.00 C ATOM 1053 CG GLU A 70 2.458 11.434 10.534 1.00 0.00 C ATOM 1054 CD GLU A 70 3.635 12.391 10.548 1.00 0.00 C ATOM 1055 OE1 GLU A 70 4.628 12.119 9.841 1.00 0.00 O ATOM 1056 OE2 GLU A 70 3.563 13.410 11.266 1.00 0.00 O ATOM 0 H GLU A 70 0.568 10.293 8.459 1.00 0.00 H new ATOM 0 HA GLU A 70 2.040 8.179 9.447 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.684 9.787 9.937 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.767 10.510 8.630 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.575 11.955 10.163 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.238 11.120 11.554 1.00 0.00 H new ATOM 1063 N CYS A 71 0.161 9.518 11.702 1.00 0.00 N ATOM 1064 CA CYS A 71 -0.292 9.424 13.086 1.00 0.00 C ATOM 1065 C CYS A 71 -0.779 8.014 13.404 1.00 0.00 C ATOM 1066 O CYS A 71 -0.637 7.536 14.528 1.00 0.00 O ATOM 1067 CB CYS A 71 -1.411 10.434 13.347 1.00 0.00 C ATOM 1068 SG CYS A 71 -1.089 11.549 14.733 1.00 0.00 S ATOM 0 H CYS A 71 -0.456 10.054 11.092 1.00 0.00 H new ATOM 0 HA CYS A 71 0.553 9.652 13.736 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.568 11.027 12.446 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.338 9.893 13.538 1.00 0.00 H new ATOM 0 HG CYS A 71 -2.090 12.367 14.874 1.00 0.00 H new ATOM 1074 N MET A 72 -1.356 7.353 12.404 1.00 0.00 N ATOM 1075 CA MET A 72 -1.865 5.998 12.578 1.00 0.00 C ATOM 1076 C MET A 72 -0.771 4.969 12.313 1.00 0.00 C ATOM 1077 O MET A 72 -1.038 3.770 12.236 1.00 0.00 O ATOM 1078 CB MET A 72 -3.051 5.752 11.644 1.00 0.00 C ATOM 1079 CG MET A 72 -2.663 5.101 10.327 1.00 0.00 C ATOM 1080 SD MET A 72 -3.757 5.569 8.971 1.00 0.00 S ATOM 1081 CE MET A 72 -3.036 4.641 7.619 1.00 0.00 C ATOM 0 H MET A 72 -1.482 7.734 11.466 1.00 0.00 H new ATOM 0 HA MET A 72 -2.198 5.891 13.610 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.778 5.119 12.152 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.544 6.702 11.439 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.640 5.380 10.076 1.00 0.00 H new ATOM 0 HG3 MET A 72 -2.678 4.017 10.443 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.604 4.826 6.707 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.002 4.954 7.473 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.063 3.577 7.853 1.00 0.00 H new ATOM 1091 N VAL A 73 0.461 5.445 12.171 1.00 0.00 N ATOM 1092 CA VAL A 73 1.597 4.566 11.914 1.00 0.00 C ATOM 1093 C VAL A 73 2.826 5.012 12.697 1.00 0.00 C ATOM 1094 O VAL A 73 3.296 4.306 13.588 1.00 0.00 O ATOM 1095 CB VAL A 73 1.945 4.523 10.415 1.00 0.00 C ATOM 1096 CG1 VAL A 73 1.275 3.332 9.745 1.00 0.00 C ATOM 1097 CG2 VAL A 73 1.541 5.823 9.736 1.00 0.00 C ATOM 0 H VAL A 73 0.699 6.435 12.229 1.00 0.00 H new ATOM 0 HA VAL A 73 1.305 3.568 12.241 1.00 0.00 H new ATOM 0 HB VAL A 73 3.024 4.407 10.314 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.532 3.318 8.686 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.618 2.410 10.214 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.194 3.414 9.854 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.795 5.774 8.677 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.467 5.972 9.845 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.072 6.655 10.198 1.00 0.00 H new ATOM 1107 N ALA A 74 3.341 6.189 12.359 1.00 0.00 N ATOM 1108 CA ALA A 74 4.515 6.731 13.033 1.00 0.00 C ATOM 1109 C ALA A 74 4.127 7.436 14.329 1.00 0.00 C ATOM 1110 O ALA A 74 4.917 8.190 14.896 1.00 0.00 O ATOM 1111 CB ALA A 74 5.259 7.687 12.111 1.00 0.00 C ATOM 0 H ALA A 74 2.964 6.786 11.623 1.00 0.00 H new ATOM 0 HA ALA A 74 5.175 5.901 13.285 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.133 8.084 12.627 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.578 7.154 11.215 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.600 8.508 11.830 1.00 0.00 H new ATOM 1117 N ALA A 75 2.906 7.188 14.790 1.00 0.00 N ATOM 1118 CA ALA A 75 2.415 7.799 16.019 1.00 0.00 C ATOM 1119 C ALA A 75 3.503 7.834 17.087 1.00 0.00 C ATOM 1120 O ALA A 75 3.376 8.589 18.050 1.00 0.00 O ATOM 1121 CB ALA A 75 1.196 7.047 16.530 1.00 0.00 C ATOM 0 H ALA A 75 2.238 6.568 14.331 1.00 0.00 H new ATOM 0 HA ALA A 75 2.128 8.827 15.796 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.839 7.513 17.448 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.408 7.077 15.778 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.466 6.010 16.731 1.00 0.00 H new TER 1127 ALA A 75 HETATM 1128 ZN ZN A 201 -6.519 -4.557 1.967 1.00 0.00 ZN HETATM 1129 ZN ZN A 202 -10.783 6.936 -2.919 1.00 0.00 ZN