USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 716 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 25 HIS : no HE2:sc= -1.5 K(o=-1,f=-7.1!) USER MOD Set 1.2: A 83 HIS : no HE2:sc= 0.487 K(o=-1,f=-7.1!) USER MOD Set 2.1: A 69 HIS : no HE2:sc= 0.263 K(o=-0.47,f=-2.4) USER MOD Set 2.2: A 106 HIS : no HD1:sc= -0.728 K(o=-0.47,f=-1.5!) USER MOD Set 3.1: A 35 HIS :FLIP no HE2:sc= -2.67 X(o=-5.9,f=-5.9) USER MOD Set 3.2: A 52 HIS : no HE2:sc= 0 X(o=-5.9,f=-5.9) USER MOD Set 3.3: A 76 HIS :FLIP no HD1:sc= -3.22! C(o=-7.4!,f=-5.9!) USER MOD Set 4.1: A 22 HIS : no HD1:sc= -0.0363 X(o=-0.036,f=-0.18) USER MOD Set 4.2: A 34 HIS : no HE2:sc= 0 X(o=-0.036,f=-0.036) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.68 USER MOD Single : A 15 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.11) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0.108 USER MOD Single : A 32 THR OG1 : rot -140:sc= -1.42 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -82:sc= 0.42 USER MOD Single : A 45 LYS NZ :NH3+ -115:sc= -0.168 (180deg=-2.19!) USER MOD Single : A 46 CYS SG : rot 180:sc= -0.516 USER MOD Single : A 48 SER OG : rot -140:sc= -0.609 USER MOD Single : A 49 SER OG : rot 20:sc= 0.149 USER MOD Single : A 51 CYS SG : rot -23:sc= -0.537! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 40:sc= 0.0169 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc=-0.00223 USER MOD Single : A 78 SER OG : rot 136:sc= -3.96! USER MOD Single : A 79 CYS SG : rot 180:sc= 0.0444 USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 69:sc= 0.551 USER MOD Single : A 100 CYS SG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -149:sc= 1.47 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 CYS SG : rot 180:sc=-0.00953 USER MOD ----------------------------------------------------------------- ATOM 25 N ALA A 3 3.641 10.540 -15.000 1.00 1.00 N ATOM 26 CA ALA A 3 2.455 9.962 -15.609 1.00 1.00 C ATOM 27 C ALA A 3 2.147 8.621 -14.941 1.00 1.00 C ATOM 28 O ALA A 3 3.004 7.741 -14.882 1.00 1.00 O ATOM 29 CB ALA A 3 2.671 9.826 -17.118 1.00 1.00 C ATOM 0 HA ALA A 3 1.592 10.611 -15.460 1.00 1.00 H new ATOM 0 HB1 ALA A 3 1.782 9.392 -17.575 1.00 1.00 H new ATOM 0 HB2 ALA A 3 2.858 10.810 -17.549 1.00 1.00 H new ATOM 0 HB3 ALA A 3 3.528 9.179 -17.306 1.00 1.00 H new ATOM 35 N VAL A 4 0.920 8.507 -14.454 1.00 1.00 N ATOM 36 CA VAL A 4 0.488 7.288 -13.792 1.00 1.00 C ATOM 37 C VAL A 4 0.609 6.114 -14.766 1.00 1.00 C ATOM 38 O VAL A 4 -0.050 6.054 -15.802 1.00 1.00 O ATOM 39 CB VAL A 4 -0.929 7.465 -13.243 1.00 1.00 C ATOM 40 CG1 VAL A 4 -1.955 7.520 -14.377 1.00 1.00 C ATOM 41 CG2 VAL A 4 -1.273 6.356 -12.246 1.00 1.00 C ATOM 0 H VAL A 4 0.211 9.239 -14.505 1.00 1.00 H new ATOM 0 HA VAL A 4 1.129 7.070 -12.938 1.00 1.00 H new ATOM 0 HB VAL A 4 -0.966 8.417 -12.713 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -2.953 7.646 -13.958 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -1.728 8.360 -15.033 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -1.916 6.593 -14.948 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -2.285 6.505 -11.871 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -1.209 5.388 -12.742 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -0.570 6.384 -11.414 1.00 1.00 H new ATOM 51 N PRO A 5 1.479 5.168 -14.404 1.00 1.00 N ATOM 52 CA PRO A 5 1.750 3.972 -15.172 1.00 1.00 C ATOM 53 C PRO A 5 0.439 3.349 -15.627 1.00 1.00 C ATOM 54 O PRO A 5 -0.484 3.250 -14.819 1.00 1.00 O ATOM 55 CB PRO A 5 2.491 3.047 -14.208 1.00 1.00 C ATOM 56 CG PRO A 5 3.172 3.977 -13.273 1.00 1.00 C ATOM 57 CD PRO A 5 2.270 5.206 -13.193 1.00 1.00 C ATOM 0 HA PRO A 5 2.337 4.168 -16.069 1.00 1.00 H new ATOM 0 HB2 PRO A 5 1.804 2.384 -13.682 1.00 1.00 H new ATOM 0 HB3 PRO A 5 3.206 2.413 -14.733 1.00 1.00 H new ATOM 0 HG2 PRO A 5 3.303 3.521 -12.292 1.00 1.00 H new ATOM 0 HG3 PRO A 5 4.165 4.242 -13.636 1.00 1.00 H new ATOM 0 HD2 PRO A 5 1.637 5.174 -12.306 1.00 1.00 H new ATOM 0 HD3 PRO A 5 2.856 6.123 -13.133 1.00 1.00 H new ATOM 65 N ASP A 6 0.378 2.948 -16.889 1.00 1.00 N ATOM 66 CA ASP A 6 -0.829 2.341 -17.424 1.00 1.00 C ATOM 67 C ASP A 6 -0.834 0.847 -17.092 1.00 1.00 C ATOM 68 O ASP A 6 -1.695 0.106 -17.564 1.00 1.00 O ATOM 69 CB ASP A 6 -0.892 2.487 -18.945 1.00 1.00 C ATOM 70 CG ASP A 6 0.023 1.541 -19.724 1.00 1.00 C ATOM 71 OD1 ASP A 6 -0.266 0.343 -19.862 1.00 1.00 O ATOM 72 OD2 ASP A 6 1.088 2.086 -20.208 1.00 1.00 O ATOM 0 H ASP A 6 1.145 3.032 -17.556 1.00 1.00 H new ATOM 0 HA ASP A 6 -1.686 2.846 -16.978 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -1.920 2.322 -19.268 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -0.636 3.514 -19.207 1.00 1.00 H new ATOM 78 N LYS A 7 0.136 0.450 -16.282 1.00 1.00 N ATOM 79 CA LYS A 7 0.254 -0.941 -15.882 1.00 1.00 C ATOM 80 C LYS A 7 0.524 -1.014 -14.377 1.00 1.00 C ATOM 81 O LYS A 7 1.087 -0.105 -13.771 1.00 1.00 O ATOM 82 CB LYS A 7 1.308 -1.656 -16.730 1.00 1.00 C ATOM 83 CG LYS A 7 2.627 -0.879 -16.735 1.00 1.00 C ATOM 84 CD LYS A 7 3.306 -0.960 -18.104 1.00 1.00 C ATOM 85 CE LYS A 7 3.660 0.435 -18.623 1.00 1.00 C ATOM 86 NZ LYS A 7 4.945 0.405 -19.356 1.00 1.00 N ATOM 0 H LYS A 7 0.848 1.068 -15.892 1.00 1.00 H new ATOM 0 HA LYS A 7 -0.682 -1.470 -16.065 1.00 1.00 H new ATOM 0 HB2 LYS A 7 1.475 -2.660 -16.339 1.00 1.00 H new ATOM 0 HB3 LYS A 7 0.944 -1.768 -17.751 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.440 0.164 -16.479 1.00 1.00 H new ATOM 0 HG3 LYS A 7 3.293 -1.280 -15.971 1.00 1.00 H new ATOM 0 HD2 LYS A 7 4.210 -1.565 -18.031 1.00 1.00 H new ATOM 0 HD3 LYS A 7 2.645 -1.459 -18.813 1.00 1.00 H new ATOM 0 HE2 LYS A 7 2.869 0.797 -19.279 1.00 1.00 H new ATOM 0 HE3 LYS A 7 3.727 1.134 -17.789 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 5.170 1.360 -19.701 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 5.700 0.080 -18.719 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 4.869 -0.246 -20.163 1.00 1.00 H new ATOM 99 N PRO A 8 0.102 -2.132 -13.782 1.00 1.00 N ATOM 100 CA PRO A 8 0.255 -2.411 -12.370 1.00 1.00 C ATOM 101 C PRO A 8 1.703 -2.774 -12.075 1.00 1.00 C ATOM 102 O PRO A 8 2.437 -3.095 -13.008 1.00 1.00 O ATOM 103 CB PRO A 8 -0.672 -3.596 -12.103 1.00 1.00 C ATOM 104 CG PRO A 8 -0.530 -4.384 -13.477 1.00 1.00 C ATOM 105 CD PRO A 8 -0.563 -3.220 -14.465 1.00 1.00 C ATOM 0 HA PRO A 8 0.006 -1.557 -11.739 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -0.350 -4.191 -11.248 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -1.698 -3.285 -11.907 1.00 1.00 H new ATOM 0 HG2 PRO A 8 0.398 -4.952 -13.536 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -1.346 -5.089 -13.638 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -0.051 -3.475 -15.393 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -1.587 -2.954 -14.728 1.00 1.00 H new ATOM 113 N VAL A 9 2.083 -2.717 -10.807 1.00 1.00 N ATOM 114 CA VAL A 9 3.445 -3.042 -10.418 1.00 1.00 C ATOM 115 C VAL A 9 3.415 -4.059 -9.275 1.00 1.00 C ATOM 116 O VAL A 9 2.536 -4.008 -8.417 1.00 1.00 O ATOM 117 CB VAL A 9 4.207 -1.764 -10.062 1.00 1.00 C ATOM 118 CG1 VAL A 9 4.635 -1.012 -11.324 1.00 1.00 C ATOM 119 CG2 VAL A 9 3.374 -0.866 -9.145 1.00 1.00 C ATOM 0 H VAL A 9 1.471 -2.451 -10.035 1.00 1.00 H new ATOM 0 HA VAL A 9 3.980 -3.502 -11.249 1.00 1.00 H new ATOM 0 HB VAL A 9 5.108 -2.051 -9.521 1.00 1.00 H new ATOM 0 HG11 VAL A 9 5.175 -0.108 -11.043 1.00 1.00 H new ATOM 0 HG12 VAL A 9 5.283 -1.650 -11.925 1.00 1.00 H new ATOM 0 HG13 VAL A 9 3.752 -0.743 -11.904 1.00 1.00 H new ATOM 0 HG21 VAL A 9 3.939 0.035 -8.907 1.00 1.00 H new ATOM 0 HG22 VAL A 9 2.447 -0.591 -9.649 1.00 1.00 H new ATOM 0 HG23 VAL A 9 3.141 -1.402 -8.225 1.00 1.00 H new ATOM 129 N GLU A 10 4.387 -4.958 -9.301 1.00 1.00 N ATOM 130 CA GLU A 10 4.484 -5.985 -8.277 1.00 1.00 C ATOM 131 C GLU A 10 5.191 -5.434 -7.037 1.00 1.00 C ATOM 132 O GLU A 10 6.089 -4.601 -7.149 1.00 1.00 O ATOM 133 CB GLU A 10 5.202 -7.226 -8.812 1.00 1.00 C ATOM 134 CG GLU A 10 4.304 -8.008 -9.773 1.00 1.00 C ATOM 135 CD GLU A 10 5.139 -8.833 -10.754 1.00 1.00 C ATOM 136 OE1 GLU A 10 6.149 -8.340 -11.276 1.00 1.00 O ATOM 137 OE2 GLU A 10 4.706 -10.030 -10.967 1.00 1.00 O ATOM 0 H GLU A 10 5.115 -4.997 -10.015 1.00 1.00 H new ATOM 0 HA GLU A 10 3.475 -6.283 -7.993 1.00 1.00 H new ATOM 0 HB2 GLU A 10 6.117 -6.928 -9.324 1.00 1.00 H new ATOM 0 HB3 GLU A 10 5.496 -7.867 -7.981 1.00 1.00 H new ATOM 0 HG2 GLU A 10 3.646 -8.667 -9.207 1.00 1.00 H new ATOM 0 HG3 GLU A 10 3.666 -7.317 -10.324 1.00 1.00 H new ATOM 145 N VAL A 11 4.758 -5.921 -5.884 1.00 1.00 N ATOM 146 CA VAL A 11 5.339 -5.488 -4.624 1.00 1.00 C ATOM 147 C VAL A 11 5.923 -6.698 -3.893 1.00 1.00 C ATOM 148 O VAL A 11 5.399 -7.118 -2.863 1.00 1.00 O ATOM 149 CB VAL A 11 4.293 -4.738 -3.797 1.00 1.00 C ATOM 150 CG1 VAL A 11 4.937 -4.049 -2.592 1.00 1.00 C ATOM 151 CG2 VAL A 11 3.530 -3.731 -4.660 1.00 1.00 C ATOM 0 H VAL A 11 4.012 -6.611 -5.795 1.00 1.00 H new ATOM 0 HA VAL A 11 6.157 -4.790 -4.801 1.00 1.00 H new ATOM 0 HB VAL A 11 3.577 -5.469 -3.422 1.00 1.00 H new ATOM 0 HG11 VAL A 11 4.171 -3.523 -2.021 1.00 1.00 H new ATOM 0 HG12 VAL A 11 5.414 -4.796 -1.957 1.00 1.00 H new ATOM 0 HG13 VAL A 11 5.685 -3.336 -2.938 1.00 1.00 H new ATOM 0 HG21 VAL A 11 2.793 -3.212 -4.048 1.00 1.00 H new ATOM 0 HG22 VAL A 11 4.229 -3.007 -5.078 1.00 1.00 H new ATOM 0 HG23 VAL A 11 3.024 -4.256 -5.470 1.00 1.00 H new ATOM 161 N LYS A 12 7.001 -7.225 -4.455 1.00 1.00 N ATOM 162 CA LYS A 12 7.662 -8.379 -3.870 1.00 1.00 C ATOM 163 C LYS A 12 7.923 -8.113 -2.386 1.00 1.00 C ATOM 164 O LYS A 12 8.269 -6.997 -2.003 1.00 1.00 O ATOM 165 CB LYS A 12 8.922 -8.734 -4.662 1.00 1.00 C ATOM 166 CG LYS A 12 9.767 -7.488 -4.934 1.00 1.00 C ATOM 167 CD LYS A 12 11.153 -7.617 -4.299 1.00 1.00 C ATOM 168 CE LYS A 12 12.086 -6.507 -4.788 1.00 1.00 C ATOM 169 NZ LYS A 12 13.435 -7.049 -5.067 1.00 1.00 N ATOM 0 H LYS A 12 7.433 -6.874 -5.310 1.00 1.00 H new ATOM 0 HA LYS A 12 7.019 -9.257 -3.929 1.00 1.00 H new ATOM 0 HB2 LYS A 12 9.511 -9.464 -4.107 1.00 1.00 H new ATOM 0 HB3 LYS A 12 8.643 -9.202 -5.606 1.00 1.00 H new ATOM 0 HG2 LYS A 12 9.868 -7.340 -6.009 1.00 1.00 H new ATOM 0 HG3 LYS A 12 9.262 -6.608 -4.537 1.00 1.00 H new ATOM 0 HD2 LYS A 12 11.065 -7.571 -3.214 1.00 1.00 H new ATOM 0 HD3 LYS A 12 11.580 -8.590 -4.544 1.00 1.00 H new ATOM 0 HE2 LYS A 12 11.677 -6.051 -5.690 1.00 1.00 H new ATOM 0 HE3 LYS A 12 12.152 -5.721 -4.035 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 14.055 -6.283 -5.398 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 13.829 -7.463 -4.198 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 13.369 -7.783 -5.801 1.00 1.00 H new ATOM 182 N GLY A 13 7.748 -9.158 -1.591 1.00 1.00 N ATOM 183 CA GLY A 13 7.960 -9.052 -0.157 1.00 1.00 C ATOM 184 C GLY A 13 8.707 -10.275 0.378 1.00 1.00 C ATOM 185 O GLY A 13 9.512 -10.876 -0.332 1.00 1.00 O ATOM 0 H GLY A 13 7.462 -10.083 -1.912 1.00 1.00 H new ATOM 0 HA2 GLY A 13 8.528 -8.149 0.065 1.00 1.00 H new ATOM 0 HA3 GLY A 13 7.000 -8.957 0.350 1.00 1.00 H new ATOM 189 N SER A 14 8.414 -10.607 1.627 1.00 1.00 N ATOM 190 CA SER A 14 9.048 -11.748 2.266 1.00 1.00 C ATOM 191 C SER A 14 8.782 -13.017 1.455 1.00 1.00 C ATOM 192 O SER A 14 9.670 -13.514 0.764 1.00 1.00 O ATOM 193 CB SER A 14 8.549 -11.922 3.702 1.00 1.00 C ATOM 194 OG SER A 14 8.181 -13.270 3.980 1.00 1.00 O ATOM 0 H SER A 14 7.746 -10.106 2.213 1.00 1.00 H new ATOM 0 HA SER A 14 10.122 -11.566 2.302 1.00 1.00 H new ATOM 0 HB2 SER A 14 9.328 -11.608 4.397 1.00 1.00 H new ATOM 0 HB3 SER A 14 7.691 -11.270 3.869 1.00 1.00 H new ATOM 0 HG SER A 14 7.870 -13.340 4.907 1.00 1.00 H new ATOM 200 N GLN A 15 7.555 -13.505 1.565 1.00 1.00 N ATOM 201 CA GLN A 15 7.161 -14.707 0.850 1.00 1.00 C ATOM 202 C GLN A 15 5.684 -14.631 0.458 1.00 1.00 C ATOM 203 O GLN A 15 4.937 -15.589 0.652 1.00 1.00 O ATOM 204 CB GLN A 15 7.444 -15.959 1.683 1.00 1.00 C ATOM 205 CG GLN A 15 7.858 -17.130 0.790 1.00 1.00 C ATOM 206 CD GLN A 15 8.978 -17.945 1.439 1.00 1.00 C ATOM 207 OE1 GLN A 15 8.901 -19.155 1.577 1.00 1.00 O ATOM 208 NE2 GLN A 15 10.020 -17.217 1.830 1.00 1.00 N ATOM 0 H GLN A 15 6.821 -13.090 2.138 1.00 1.00 H new ATOM 0 HA GLN A 15 7.756 -14.776 -0.061 1.00 1.00 H new ATOM 0 HB2 GLN A 15 8.234 -15.750 2.404 1.00 1.00 H new ATOM 0 HB3 GLN A 15 6.555 -16.229 2.254 1.00 1.00 H new ATOM 0 HG2 GLN A 15 6.997 -17.772 0.604 1.00 1.00 H new ATOM 0 HG3 GLN A 15 8.191 -16.754 -0.178 1.00 1.00 H new ATOM 0 HE21 GLN A 15 10.020 -16.207 1.684 1.00 1.00 H new ATOM 0 HE22 GLN A 15 10.819 -17.668 2.275 1.00 1.00 H new ATOM 217 N LYS A 16 5.307 -13.484 -0.087 1.00 1.00 N ATOM 218 CA LYS A 16 3.933 -13.271 -0.507 1.00 1.00 C ATOM 219 C LYS A 16 3.882 -12.105 -1.497 1.00 1.00 C ATOM 220 O LYS A 16 3.797 -10.946 -1.093 1.00 1.00 O ATOM 221 CB LYS A 16 3.023 -13.085 0.709 1.00 1.00 C ATOM 222 CG LYS A 16 1.588 -13.511 0.390 1.00 1.00 C ATOM 223 CD LYS A 16 1.462 -15.036 0.361 1.00 1.00 C ATOM 224 CE LYS A 16 0.132 -15.465 -0.261 1.00 1.00 C ATOM 225 NZ LYS A 16 -0.455 -16.593 0.497 1.00 1.00 N ATOM 0 H LYS A 16 5.930 -12.692 -0.247 1.00 1.00 H new ATOM 0 HA LYS A 16 3.554 -14.150 -1.028 1.00 1.00 H new ATOM 0 HB2 LYS A 16 3.403 -13.672 1.545 1.00 1.00 H new ATOM 0 HB3 LYS A 16 3.035 -12.041 1.021 1.00 1.00 H new ATOM 0 HG2 LYS A 16 0.909 -13.101 1.137 1.00 1.00 H new ATOM 0 HG3 LYS A 16 1.288 -13.099 -0.574 1.00 1.00 H new ATOM 0 HD2 LYS A 16 2.288 -15.462 -0.209 1.00 1.00 H new ATOM 0 HD3 LYS A 16 1.537 -15.430 1.375 1.00 1.00 H new ATOM 0 HE2 LYS A 16 -0.561 -14.624 -0.268 1.00 1.00 H new ATOM 0 HE3 LYS A 16 0.287 -15.758 -1.299 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 -1.357 -16.872 0.061 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 0.201 -17.400 0.482 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 -0.621 -16.301 1.481 1.00 1.00 H new ATOM 238 N THR A 17 3.936 -12.452 -2.775 1.00 1.00 N ATOM 239 CA THR A 17 3.897 -11.449 -3.825 1.00 1.00 C ATOM 240 C THR A 17 2.501 -10.831 -3.921 1.00 1.00 C ATOM 241 O THR A 17 1.500 -11.546 -3.918 1.00 1.00 O ATOM 242 CB THR A 17 4.360 -12.109 -5.126 1.00 1.00 C ATOM 243 OG1 THR A 17 5.691 -12.532 -4.846 1.00 1.00 O ATOM 244 CG2 THR A 17 4.521 -11.103 -6.268 1.00 1.00 C ATOM 0 H THR A 17 4.006 -13.414 -3.107 1.00 1.00 H new ATOM 0 HA THR A 17 4.570 -10.620 -3.606 1.00 1.00 H new ATOM 0 HB THR A 17 3.644 -12.878 -5.418 1.00 1.00 H new ATOM 0 HG1 THR A 17 6.067 -12.973 -5.636 1.00 1.00 H new ATOM 0 HG21 THR A 17 4.851 -11.623 -7.167 1.00 1.00 H new ATOM 0 HG22 THR A 17 3.565 -10.615 -6.461 1.00 1.00 H new ATOM 0 HG23 THR A 17 5.262 -10.353 -5.990 1.00 1.00 H new ATOM 252 N VAL A 18 2.479 -9.509 -4.003 1.00 1.00 N ATOM 253 CA VAL A 18 1.222 -8.786 -4.099 1.00 1.00 C ATOM 254 C VAL A 18 1.379 -7.628 -5.086 1.00 1.00 C ATOM 255 O VAL A 18 2.294 -6.815 -4.956 1.00 1.00 O ATOM 256 CB VAL A 18 0.773 -8.330 -2.709 1.00 1.00 C ATOM 257 CG1 VAL A 18 -0.599 -7.655 -2.770 1.00 1.00 C ATOM 258 CG2 VAL A 18 0.765 -9.501 -1.724 1.00 1.00 C ATOM 0 H VAL A 18 3.311 -8.919 -4.005 1.00 1.00 H new ATOM 0 HA VAL A 18 0.436 -9.436 -4.483 1.00 1.00 H new ATOM 0 HB VAL A 18 1.492 -7.594 -2.349 1.00 1.00 H new ATOM 0 HG11 VAL A 18 -0.895 -7.341 -1.769 1.00 1.00 H new ATOM 0 HG12 VAL A 18 -0.547 -6.784 -3.424 1.00 1.00 H new ATOM 0 HG13 VAL A 18 -1.334 -8.359 -3.161 1.00 1.00 H new ATOM 0 HG21 VAL A 18 0.442 -9.150 -0.744 1.00 1.00 H new ATOM 0 HG22 VAL A 18 0.078 -10.270 -2.078 1.00 1.00 H new ATOM 0 HG23 VAL A 18 1.769 -9.919 -1.647 1.00 1.00 H new ATOM 268 N MET A 19 0.473 -7.588 -6.052 1.00 1.00 N ATOM 269 CA MET A 19 0.500 -6.543 -7.061 1.00 1.00 C ATOM 270 C MET A 19 -0.569 -5.484 -6.781 1.00 1.00 C ATOM 271 O MET A 19 -1.692 -5.814 -6.404 1.00 1.00 O ATOM 272 CB MET A 19 0.260 -7.159 -8.441 1.00 1.00 C ATOM 273 CG MET A 19 -1.194 -7.609 -8.595 1.00 1.00 C ATOM 274 SD MET A 19 -1.314 -8.863 -9.860 1.00 1.00 S ATOM 275 CE MET A 19 -1.767 -10.270 -8.859 1.00 1.00 C ATOM 0 H MET A 19 -0.285 -8.263 -6.157 1.00 1.00 H new ATOM 0 HA MET A 19 1.478 -6.062 -7.034 1.00 1.00 H new ATOM 0 HB2 MET A 19 0.503 -6.431 -9.215 1.00 1.00 H new ATOM 0 HB3 MET A 19 0.925 -8.011 -8.584 1.00 1.00 H new ATOM 0 HG2 MET A 19 -1.565 -8.000 -7.647 1.00 1.00 H new ATOM 0 HG3 MET A 19 -1.822 -6.757 -8.855 1.00 1.00 H new ATOM 0 HE1 MET A 19 -1.884 -11.147 -9.496 1.00 1.00 H new ATOM 0 HE2 MET A 19 -0.987 -10.458 -8.121 1.00 1.00 H new ATOM 0 HE3 MET A 19 -2.708 -10.065 -8.348 1.00 1.00 H new ATOM 285 N PHE A 20 -0.182 -4.232 -6.978 1.00 1.00 N ATOM 286 CA PHE A 20 -1.092 -3.123 -6.752 1.00 1.00 C ATOM 287 C PHE A 20 -1.376 -2.372 -8.055 1.00 1.00 C ATOM 288 O PHE A 20 -0.476 -1.906 -8.749 1.00 1.00 O ATOM 289 CB PHE A 20 -0.405 -2.173 -5.769 1.00 1.00 C ATOM 290 CG PHE A 20 -0.983 -0.756 -5.766 1.00 1.00 C ATOM 291 CD1 PHE A 20 -2.082 -0.472 -5.017 1.00 1.00 C ATOM 292 CD2 PHE A 20 -0.398 0.219 -6.511 1.00 1.00 C ATOM 293 CE1 PHE A 20 -2.618 0.843 -5.014 1.00 1.00 C ATOM 294 CE2 PHE A 20 -0.934 1.534 -6.508 1.00 1.00 C ATOM 295 CZ PHE A 20 -2.033 1.818 -5.759 1.00 1.00 C ATOM 0 H PHE A 20 0.750 -3.962 -7.292 1.00 1.00 H new ATOM 0 HA PHE A 20 -2.041 -3.494 -6.364 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.482 -2.588 -4.764 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.656 -2.121 -6.011 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.547 -1.246 -4.425 1.00 1.00 H new ATOM 0 HD2 PHE A 20 0.475 -0.007 -7.106 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -3.491 1.069 -4.419 1.00 1.00 H new ATOM 0 HE2 PHE A 20 -0.469 2.308 -7.100 1.00 1.00 H new ATOM 0 HZ PHE A 20 -2.441 2.818 -5.756 1.00 1.00 H new ATOM 305 N PRO A 21 -2.668 -2.266 -8.374 1.00 1.00 N ATOM 306 CA PRO A 21 -3.163 -1.597 -9.558 1.00 1.00 C ATOM 307 C PRO A 21 -3.366 -0.118 -9.261 1.00 1.00 C ATOM 308 O PRO A 21 -3.858 0.217 -8.186 1.00 1.00 O ATOM 309 CB PRO A 21 -4.493 -2.281 -9.867 1.00 1.00 C ATOM 310 CG PRO A 21 -5.015 -2.513 -8.391 1.00 1.00 C ATOM 311 CD PRO A 21 -3.753 -2.802 -7.581 1.00 1.00 C ATOM 0 HA PRO A 21 -2.475 -1.661 -10.401 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -5.162 -1.651 -10.454 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -4.367 -3.213 -10.418 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -5.538 -1.635 -8.012 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -5.716 -3.346 -8.344 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -3.796 -2.328 -6.600 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -3.628 -3.872 -7.413 1.00 1.00 H new ATOM 319 N HIS A 22 -2.987 0.740 -10.210 1.00 1.00 N ATOM 320 CA HIS A 22 -3.118 2.185 -10.068 1.00 1.00 C ATOM 321 C HIS A 22 -4.512 2.631 -10.548 1.00 1.00 C ATOM 322 O HIS A 22 -5.076 3.582 -10.009 1.00 1.00 O ATOM 323 CB HIS A 22 -1.951 2.864 -10.800 1.00 1.00 C ATOM 324 CG HIS A 22 -0.702 3.127 -9.991 1.00 1.00 C ATOM 325 ND1 HIS A 22 0.400 2.379 -10.104 1.00 1.00 N ATOM 326 CD2 HIS A 22 -0.418 4.085 -9.047 1.00 1.00 C ATOM 327 CE1 HIS A 22 1.334 2.852 -9.265 1.00 1.00 C ATOM 328 NE2 HIS A 22 0.881 3.906 -8.587 1.00 1.00 N ATOM 0 H HIS A 22 -2.580 0.449 -11.099 1.00 1.00 H new ATOM 0 HA HIS A 22 -3.053 2.491 -9.024 1.00 1.00 H new ATOM 0 HB2 HIS A 22 -1.679 2.244 -11.654 1.00 1.00 H new ATOM 0 HB3 HIS A 22 -2.306 3.815 -11.197 1.00 1.00 H new ATOM 0 HD2 HIS A 22 -1.098 4.856 -8.715 1.00 1.00 H new ATOM 0 HE1 HIS A 22 2.323 2.433 -9.154 1.00 1.00 H new ATOM 0 HE2 HIS A 22 1.377 4.458 -7.887 1.00 1.00 H new ATOM 336 N ALA A 23 -5.020 1.926 -11.548 1.00 1.00 N ATOM 337 CA ALA A 23 -6.328 2.240 -12.096 1.00 1.00 C ATOM 338 C ALA A 23 -7.329 2.406 -10.952 1.00 1.00 C ATOM 339 O ALA A 23 -8.008 3.423 -10.822 1.00 1.00 O ATOM 340 CB ALA A 23 -6.745 1.145 -13.081 1.00 1.00 C ATOM 0 H ALA A 23 -4.549 1.138 -11.993 1.00 1.00 H new ATOM 0 HA ALA A 23 -6.298 3.180 -12.647 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -7.727 1.380 -13.492 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -6.017 1.087 -13.890 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -6.789 0.187 -12.563 1.00 1.00 H new ATOM 346 N PRO A 24 -7.406 1.370 -10.114 1.00 1.00 N ATOM 347 CA PRO A 24 -8.283 1.314 -8.964 1.00 1.00 C ATOM 348 C PRO A 24 -7.864 2.369 -7.950 1.00 1.00 C ATOM 349 O PRO A 24 -8.550 2.541 -6.945 1.00 1.00 O ATOM 350 CB PRO A 24 -8.098 -0.093 -8.399 1.00 1.00 C ATOM 351 CG PRO A 24 -7.451 -0.919 -9.543 1.00 1.00 C ATOM 352 CD PRO A 24 -6.623 0.160 -10.237 1.00 1.00 C ATOM 0 HA PRO A 24 -9.325 1.511 -9.215 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -7.460 -0.080 -7.515 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -9.053 -0.523 -8.096 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -6.835 -1.735 -9.167 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -8.195 -1.361 -10.206 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -5.647 0.272 -9.766 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -6.445 -0.091 -11.283 1.00 1.00 H new ATOM 360 N HIS A 25 -6.753 3.054 -8.225 1.00 1.00 N ATOM 361 CA HIS A 25 -6.227 4.094 -7.348 1.00 1.00 C ATOM 362 C HIS A 25 -5.825 5.324 -8.182 1.00 1.00 C ATOM 363 O HIS A 25 -4.792 5.938 -7.919 1.00 1.00 O ATOM 364 CB HIS A 25 -5.089 3.503 -6.504 1.00 1.00 C ATOM 365 CG HIS A 25 -5.429 2.305 -5.647 1.00 1.00 C ATOM 366 ND1 HIS A 25 -5.355 1.051 -6.101 1.00 1.00 N ATOM 367 CD2 HIS A 25 -5.850 2.215 -4.341 1.00 1.00 C ATOM 368 CE1 HIS A 25 -5.716 0.211 -5.118 1.00 1.00 C ATOM 369 NE2 HIS A 25 -6.031 0.878 -4.009 1.00 1.00 N ATOM 0 H HIS A 25 -6.194 2.901 -9.064 1.00 1.00 H new ATOM 0 HA HIS A 25 -6.984 4.447 -6.648 1.00 1.00 H new ATOM 0 HB2 HIS A 25 -4.278 3.221 -7.176 1.00 1.00 H new ATOM 0 HB3 HIS A 25 -4.705 4.289 -5.853 1.00 1.00 H new ATOM 0 HD1 HIS A 25 -5.071 0.776 -7.041 1.00 1.00 H new ATOM 0 HD2 HIS A 25 -6.014 3.052 -3.678 1.00 1.00 H new ATOM 0 HE1 HIS A 25 -5.747 -0.864 -5.214 1.00 1.00 H new ATOM 377 N GLU A 26 -6.657 5.641 -9.163 1.00 1.00 N ATOM 378 CA GLU A 26 -6.397 6.780 -10.026 1.00 1.00 C ATOM 379 C GLU A 26 -7.274 7.966 -9.619 1.00 1.00 C ATOM 380 O GLU A 26 -7.338 8.968 -10.329 1.00 1.00 O ATOM 381 CB GLU A 26 -6.617 6.416 -11.496 1.00 1.00 C ATOM 382 CG GLU A 26 -5.348 6.659 -12.316 1.00 1.00 C ATOM 383 CD GLU A 26 -5.667 7.420 -13.605 1.00 1.00 C ATOM 384 OE1 GLU A 26 -6.026 6.801 -14.618 1.00 1.00 O ATOM 385 OE2 GLU A 26 -5.530 8.700 -13.531 1.00 1.00 O ATOM 0 H GLU A 26 -7.512 5.129 -9.379 1.00 1.00 H new ATOM 0 HA GLU A 26 -5.352 7.068 -9.909 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -6.911 5.369 -11.575 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -7.436 7.009 -11.903 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -4.630 7.226 -11.723 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -4.879 5.705 -12.559 1.00 1.00 H new ATOM 393 N LYS A 27 -7.927 7.813 -8.476 1.00 1.00 N ATOM 394 CA LYS A 27 -8.797 8.859 -7.965 1.00 1.00 C ATOM 395 C LYS A 27 -8.309 9.291 -6.581 1.00 1.00 C ATOM 396 O LYS A 27 -8.861 10.215 -5.985 1.00 1.00 O ATOM 397 CB LYS A 27 -10.256 8.400 -7.987 1.00 1.00 C ATOM 398 CG LYS A 27 -10.438 7.111 -7.183 1.00 1.00 C ATOM 399 CD LYS A 27 -11.592 7.245 -6.188 1.00 1.00 C ATOM 400 CE LYS A 27 -11.516 6.160 -5.111 1.00 1.00 C ATOM 401 NZ LYS A 27 -12.866 5.633 -4.810 1.00 1.00 N ATOM 0 H LYS A 27 -7.871 6.980 -7.889 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.754 9.738 -8.607 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -10.893 9.183 -7.575 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -10.575 8.238 -9.017 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -10.632 6.280 -7.861 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -9.517 6.878 -6.648 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -11.562 8.229 -5.721 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -12.543 7.172 -6.716 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -10.870 5.350 -5.448 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -11.069 6.569 -4.205 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -12.796 4.898 -4.078 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -13.472 6.406 -4.468 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -13.279 5.224 -5.672 1.00 1.00 H new ATOM 414 N VAL A 28 -7.279 8.603 -6.110 1.00 1.00 N ATOM 415 CA VAL A 28 -6.711 8.905 -4.807 1.00 1.00 C ATOM 416 C VAL A 28 -5.406 9.681 -4.993 1.00 1.00 C ATOM 417 O VAL A 28 -4.488 9.208 -5.661 1.00 1.00 O ATOM 418 CB VAL A 28 -6.531 7.615 -4.004 1.00 1.00 C ATOM 419 CG1 VAL A 28 -6.069 7.918 -2.577 1.00 1.00 C ATOM 420 CG2 VAL A 28 -7.817 6.787 -4.000 1.00 1.00 C ATOM 0 H VAL A 28 -6.823 7.838 -6.607 1.00 1.00 H new ATOM 0 HA VAL A 28 -7.387 9.538 -4.232 1.00 1.00 H new ATOM 0 HB VAL A 28 -5.754 7.024 -4.489 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -5.949 6.984 -2.028 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -5.116 8.446 -2.608 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -6.813 8.539 -2.078 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -7.661 5.876 -3.422 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -8.622 7.368 -3.551 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -8.085 6.526 -5.024 1.00 1.00 H new ATOM 430 N GLU A 29 -5.365 10.860 -4.389 1.00 1.00 N ATOM 431 CA GLU A 29 -4.187 11.706 -4.479 1.00 1.00 C ATOM 432 C GLU A 29 -2.919 10.876 -4.266 1.00 1.00 C ATOM 433 O GLU A 29 -2.851 10.065 -3.344 1.00 1.00 O ATOM 434 CB GLU A 29 -4.262 12.859 -3.475 1.00 1.00 C ATOM 435 CG GLU A 29 -4.367 14.205 -4.194 1.00 1.00 C ATOM 436 CD GLU A 29 -4.451 15.357 -3.190 1.00 1.00 C ATOM 437 OE1 GLU A 29 -3.444 16.036 -2.940 1.00 1.00 O ATOM 438 OE2 GLU A 29 -5.614 15.538 -2.663 1.00 1.00 O ATOM 0 H GLU A 29 -6.128 11.249 -3.836 1.00 1.00 H new ATOM 0 HA GLU A 29 -4.151 12.139 -5.479 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -5.125 12.723 -2.823 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -3.377 12.850 -2.839 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -3.501 14.344 -4.841 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -5.249 14.211 -4.835 1.00 1.00 H new ATOM 446 N CYS A 30 -1.946 11.108 -5.135 1.00 1.00 N ATOM 447 CA CYS A 30 -0.685 10.391 -5.055 1.00 1.00 C ATOM 448 C CYS A 30 -0.174 10.478 -3.615 1.00 1.00 C ATOM 449 O CYS A 30 0.021 9.456 -2.959 1.00 1.00 O ATOM 450 CB CYS A 30 0.338 10.932 -6.057 1.00 1.00 C ATOM 451 SG CYS A 30 -0.336 11.297 -7.718 1.00 1.00 S ATOM 0 H CYS A 30 -2.006 11.782 -5.898 1.00 1.00 H new ATOM 0 HA CYS A 30 -0.840 9.346 -5.322 1.00 1.00 H new ATOM 0 HB2 CYS A 30 0.778 11.843 -5.650 1.00 1.00 H new ATOM 0 HB3 CYS A 30 1.145 10.206 -6.159 1.00 1.00 H new ATOM 0 HG CYS A 30 0.614 11.750 -8.482 1.00 1.00 H new ATOM 456 N VAL A 31 0.029 11.708 -3.166 1.00 1.00 N ATOM 457 CA VAL A 31 0.513 11.942 -1.816 1.00 1.00 C ATOM 458 C VAL A 31 -0.160 10.956 -0.860 1.00 1.00 C ATOM 459 O VAL A 31 0.509 10.315 -0.051 1.00 1.00 O ATOM 460 CB VAL A 31 0.286 13.404 -1.425 1.00 1.00 C ATOM 461 CG1 VAL A 31 -1.189 13.786 -1.564 1.00 1.00 C ATOM 462 CG2 VAL A 31 0.792 13.677 -0.007 1.00 1.00 C ATOM 0 H VAL A 31 -0.133 12.553 -3.713 1.00 1.00 H new ATOM 0 HA VAL A 31 1.587 11.768 -1.759 1.00 1.00 H new ATOM 0 HB VAL A 31 0.859 14.027 -2.111 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -1.323 14.830 -1.280 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -1.505 13.648 -2.598 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -1.792 13.153 -0.913 1.00 1.00 H new ATOM 0 HG21 VAL A 31 0.619 14.723 0.246 1.00 1.00 H new ATOM 0 HG22 VAL A 31 0.259 13.040 0.699 1.00 1.00 H new ATOM 0 HG23 VAL A 31 1.859 13.463 0.046 1.00 1.00 H new ATOM 472 N THR A 32 -1.476 10.865 -0.984 1.00 1.00 N ATOM 473 CA THR A 32 -2.247 9.968 -0.140 1.00 1.00 C ATOM 474 C THR A 32 -1.488 8.658 0.079 1.00 1.00 C ATOM 475 O THR A 32 -1.504 8.103 1.177 1.00 1.00 O ATOM 476 CB THR A 32 -3.620 9.774 -0.787 1.00 1.00 C ATOM 477 OG1 THR A 32 -3.932 11.054 -1.329 1.00 1.00 O ATOM 478 CG2 THR A 32 -4.723 9.526 0.244 1.00 1.00 C ATOM 0 H THR A 32 -2.028 11.398 -1.656 1.00 1.00 H new ATOM 0 HA THR A 32 -2.396 10.390 0.854 1.00 1.00 H new ATOM 0 HB THR A 32 -3.579 8.936 -1.483 1.00 1.00 H new ATOM 0 HG1 THR A 32 -4.882 11.247 -1.185 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.677 9.395 -0.268 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.491 8.627 0.816 1.00 1.00 H new ATOM 0 HG23 THR A 32 -4.788 10.379 0.920 1.00 1.00 H new ATOM 486 N CYS A 33 -0.841 8.202 -0.983 1.00 1.00 N ATOM 487 CA CYS A 33 -0.077 6.967 -0.921 1.00 1.00 C ATOM 488 C CYS A 33 1.411 7.324 -0.888 1.00 1.00 C ATOM 489 O CYS A 33 2.139 6.909 0.011 1.00 1.00 O ATOM 490 CB CYS A 33 -0.414 6.034 -2.085 1.00 1.00 C ATOM 491 SG CYS A 33 -1.686 4.823 -1.569 1.00 1.00 S ATOM 0 H CYS A 33 -0.830 8.665 -1.892 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.339 6.420 -0.016 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -0.776 6.614 -2.934 1.00 1.00 H new ATOM 0 HB3 CYS A 33 0.484 5.512 -2.415 1.00 1.00 H new ATOM 0 HG CYS A 33 -1.966 4.037 -2.566 1.00 1.00 H new ATOM 496 N HIS A 34 1.827 8.099 -1.891 1.00 1.00 N ATOM 497 CA HIS A 34 3.209 8.542 -2.028 1.00 1.00 C ATOM 498 C HIS A 34 3.449 9.780 -1.144 1.00 1.00 C ATOM 499 O HIS A 34 3.576 10.892 -1.650 1.00 1.00 O ATOM 500 CB HIS A 34 3.516 8.759 -3.517 1.00 1.00 C ATOM 501 CG HIS A 34 3.421 7.547 -4.415 1.00 1.00 C ATOM 502 ND1 HIS A 34 4.362 6.599 -4.446 1.00 1.00 N ATOM 503 CD2 HIS A 34 2.458 7.161 -5.316 1.00 1.00 C ATOM 504 CE1 HIS A 34 4.000 5.659 -5.333 1.00 1.00 C ATOM 505 NE2 HIS A 34 2.832 5.956 -5.899 1.00 1.00 N ATOM 0 H HIS A 34 1.211 8.436 -2.631 1.00 1.00 H new ATOM 0 HA HIS A 34 3.908 7.785 -1.672 1.00 1.00 H new ATOM 0 HB2 HIS A 34 2.833 9.518 -3.898 1.00 1.00 H new ATOM 0 HB3 HIS A 34 4.524 9.166 -3.601 1.00 1.00 H new ATOM 0 HD1 HIS A 34 5.215 6.591 -3.887 1.00 1.00 H new ATOM 0 HD2 HIS A 34 1.553 7.708 -5.536 1.00 1.00 H new ATOM 0 HE1 HIS A 34 4.581 4.777 -5.558 1.00 1.00 H new ATOM 513 N HIS A 35 3.506 9.542 0.167 1.00 1.00 N ATOM 514 CA HIS A 35 3.727 10.594 1.153 1.00 1.00 C ATOM 515 C HIS A 35 4.923 11.465 0.726 1.00 1.00 C ATOM 516 O HIS A 35 5.741 11.037 -0.087 1.00 1.00 O ATOM 517 CB HIS A 35 3.877 9.951 2.540 1.00 1.00 C ATOM 518 CG HIS A 35 5.136 9.152 2.786 1.00 1.00 C ATOM 519 ND1 HIS A 35 5.320 7.833 3.128 1.00 1.00 N flip ATOM 520 CD2 HIS A 35 6.358 9.685 2.690 1.00 1.00 C flip ATOM 521 CE1 HIS A 35 6.681 7.573 3.240 1.00 1.00 C flip ATOM 522 NE2 HIS A 35 7.267 8.736 2.962 1.00 1.00 N flip ATOM 0 H HIS A 35 3.400 8.612 0.573 1.00 1.00 H new ATOM 0 HA HIS A 35 2.875 11.271 1.212 1.00 1.00 H new ATOM 0 HB2 HIS A 35 3.824 10.741 3.289 1.00 1.00 H new ATOM 0 HB3 HIS A 35 3.021 9.297 2.706 1.00 1.00 H new ATOM 0 HD1 HIS A 35 4.575 7.152 3.276 1.00 1.00 H new ATOM 0 HD2 HIS A 35 6.578 10.711 2.435 1.00 1.00 H new ATOM 0 HE1 HIS A 35 7.156 6.638 3.495 1.00 1.00 H new ATOM 530 N LEU A 36 4.983 12.661 1.291 1.00 1.00 N ATOM 531 CA LEU A 36 6.061 13.584 0.978 1.00 1.00 C ATOM 532 C LEU A 36 7.297 13.217 1.802 1.00 1.00 C ATOM 533 O LEU A 36 7.176 12.736 2.928 1.00 1.00 O ATOM 534 CB LEU A 36 5.601 15.031 1.170 1.00 1.00 C ATOM 535 CG LEU A 36 4.145 15.325 0.805 1.00 1.00 C ATOM 536 CD1 LEU A 36 3.319 15.642 2.053 1.00 1.00 C ATOM 537 CD2 LEU A 36 4.056 16.441 -0.239 1.00 1.00 C ATOM 0 H LEU A 36 4.302 13.013 1.964 1.00 1.00 H new ATOM 0 HA LEU A 36 6.341 13.500 -0.072 1.00 1.00 H new ATOM 0 HB2 LEU A 36 5.756 15.305 2.214 1.00 1.00 H new ATOM 0 HB3 LEU A 36 6.243 15.678 0.572 1.00 1.00 H new ATOM 0 HG LEU A 36 3.718 14.428 0.356 1.00 1.00 H new ATOM 0 HD11 LEU A 36 2.288 15.847 1.765 1.00 1.00 H new ATOM 0 HD12 LEU A 36 3.343 14.789 2.732 1.00 1.00 H new ATOM 0 HD13 LEU A 36 3.736 16.516 2.553 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.010 16.630 -0.481 1.00 1.00 H new ATOM 0 HD22 LEU A 36 4.506 17.350 0.160 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.588 16.139 -1.141 1.00 1.00 H new ATOM 549 N VAL A 37 8.457 13.458 1.209 1.00 1.00 N ATOM 550 CA VAL A 37 9.714 13.159 1.875 1.00 1.00 C ATOM 551 C VAL A 37 10.539 14.442 1.996 1.00 1.00 C ATOM 552 O VAL A 37 10.988 14.992 0.992 1.00 1.00 O ATOM 553 CB VAL A 37 10.448 12.043 1.129 1.00 1.00 C ATOM 554 CG1 VAL A 37 11.870 11.868 1.667 1.00 1.00 C ATOM 555 CG2 VAL A 37 9.668 10.729 1.202 1.00 1.00 C ATOM 0 H VAL A 37 8.553 13.857 0.275 1.00 1.00 H new ATOM 0 HA VAL A 37 9.534 12.792 2.886 1.00 1.00 H new ATOM 0 HB VAL A 37 10.519 12.331 0.080 1.00 1.00 H new ATOM 0 HG11 VAL A 37 12.370 11.069 1.120 1.00 1.00 H new ATOM 0 HG12 VAL A 37 12.424 12.798 1.539 1.00 1.00 H new ATOM 0 HG13 VAL A 37 11.830 11.613 2.726 1.00 1.00 H new ATOM 0 HG21 VAL A 37 10.212 9.953 0.664 1.00 1.00 H new ATOM 0 HG22 VAL A 37 9.550 10.433 2.244 1.00 1.00 H new ATOM 0 HG23 VAL A 37 8.685 10.864 0.750 1.00 1.00 H new ATOM 565 N ASP A 38 10.715 14.880 3.234 1.00 1.00 N ATOM 566 CA ASP A 38 11.478 16.087 3.499 1.00 1.00 C ATOM 567 C ASP A 38 10.925 17.233 2.649 1.00 1.00 C ATOM 568 O ASP A 38 11.687 18.026 2.099 1.00 1.00 O ATOM 569 CB ASP A 38 12.952 15.898 3.135 1.00 1.00 C ATOM 570 CG ASP A 38 13.798 15.201 4.203 1.00 1.00 C ATOM 571 OD1 ASP A 38 13.722 13.976 4.379 1.00 1.00 O ATOM 572 OD2 ASP A 38 14.570 15.981 4.881 1.00 1.00 O ATOM 0 H ASP A 38 10.342 14.420 4.065 1.00 1.00 H new ATOM 0 HA ASP A 38 11.394 16.311 4.562 1.00 1.00 H new ATOM 0 HB2 ASP A 38 13.012 15.321 2.212 1.00 1.00 H new ATOM 0 HB3 ASP A 38 13.388 16.875 2.929 1.00 1.00 H new ATOM 578 N GLY A 39 9.604 17.283 2.570 1.00 1.00 N ATOM 579 CA GLY A 39 8.939 18.319 1.796 1.00 1.00 C ATOM 580 C GLY A 39 9.431 18.320 0.347 1.00 1.00 C ATOM 581 O GLY A 39 9.538 19.377 -0.274 1.00 1.00 O ATOM 0 H GLY A 39 8.976 16.623 3.029 1.00 1.00 H new ATOM 0 HA2 GLY A 39 7.861 18.159 1.818 1.00 1.00 H new ATOM 0 HA3 GLY A 39 9.126 19.293 2.248 1.00 1.00 H new ATOM 585 N LYS A 40 9.715 17.125 -0.149 1.00 1.00 N ATOM 586 CA LYS A 40 10.192 16.976 -1.513 1.00 1.00 C ATOM 587 C LYS A 40 9.430 15.837 -2.194 1.00 1.00 C ATOM 588 O LYS A 40 9.789 14.670 -2.047 1.00 1.00 O ATOM 589 CB LYS A 40 11.712 16.797 -1.533 1.00 1.00 C ATOM 590 CG LYS A 40 12.357 17.708 -2.580 1.00 1.00 C ATOM 591 CD LYS A 40 13.737 17.185 -2.984 1.00 1.00 C ATOM 592 CE LYS A 40 14.281 17.952 -4.192 1.00 1.00 C ATOM 593 NZ LYS A 40 15.443 17.244 -4.775 1.00 1.00 N ATOM 0 H LYS A 40 9.624 16.251 0.369 1.00 1.00 H new ATOM 0 HA LYS A 40 9.993 17.881 -2.087 1.00 1.00 H new ATOM 0 HB2 LYS A 40 12.121 17.022 -0.548 1.00 1.00 H new ATOM 0 HB3 LYS A 40 11.957 15.757 -1.750 1.00 1.00 H new ATOM 0 HG2 LYS A 40 11.715 17.769 -3.459 1.00 1.00 H new ATOM 0 HG3 LYS A 40 12.449 18.718 -2.181 1.00 1.00 H new ATOM 0 HD2 LYS A 40 14.427 17.283 -2.146 1.00 1.00 H new ATOM 0 HD3 LYS A 40 13.672 16.123 -3.222 1.00 1.00 H new ATOM 0 HE2 LYS A 40 13.499 18.060 -4.944 1.00 1.00 H new ATOM 0 HE3 LYS A 40 14.574 18.957 -3.890 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 15.800 17.778 -5.593 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 16.194 17.163 -4.060 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 15.152 16.294 -5.081 1.00 1.00 H new ATOM 606 N GLU A 41 8.392 16.216 -2.924 1.00 1.00 N ATOM 607 CA GLU A 41 7.576 15.241 -3.628 1.00 1.00 C ATOM 608 C GLU A 41 8.465 14.211 -4.327 1.00 1.00 C ATOM 609 O GLU A 41 9.316 14.569 -5.140 1.00 1.00 O ATOM 610 CB GLU A 41 6.641 15.927 -4.627 1.00 1.00 C ATOM 611 CG GLU A 41 5.226 16.051 -4.058 1.00 1.00 C ATOM 612 CD GLU A 41 4.245 15.169 -4.833 1.00 1.00 C ATOM 613 OE1 GLU A 41 4.398 13.938 -4.849 1.00 1.00 O ATOM 614 OE2 GLU A 41 3.296 15.805 -5.431 1.00 1.00 O ATOM 0 H GLU A 41 8.097 17.185 -3.044 1.00 1.00 H new ATOM 0 HA GLU A 41 6.955 14.721 -2.898 1.00 1.00 H new ATOM 0 HB2 GLU A 41 7.027 16.917 -4.871 1.00 1.00 H new ATOM 0 HB3 GLU A 41 6.615 15.357 -5.556 1.00 1.00 H new ATOM 0 HG2 GLU A 41 5.226 15.764 -3.007 1.00 1.00 H new ATOM 0 HG3 GLU A 41 4.901 17.090 -4.104 1.00 1.00 H new ATOM 622 N SER A 42 8.237 12.951 -3.986 1.00 1.00 N ATOM 623 CA SER A 42 9.007 11.866 -4.570 1.00 1.00 C ATOM 624 C SER A 42 8.083 10.696 -4.914 1.00 1.00 C ATOM 625 O SER A 42 6.986 10.551 -4.380 1.00 1.00 O ATOM 626 CB SER A 42 10.117 11.406 -3.624 1.00 1.00 C ATOM 627 OG SER A 42 11.112 10.641 -4.299 1.00 1.00 O ATOM 0 H SER A 42 7.530 12.657 -3.312 1.00 1.00 H new ATOM 0 HA SER A 42 9.475 12.232 -5.484 1.00 1.00 H new ATOM 0 HB2 SER A 42 10.582 12.276 -3.160 1.00 1.00 H new ATOM 0 HB3 SER A 42 9.684 10.810 -2.821 1.00 1.00 H new ATOM 0 HG SER A 42 11.804 10.368 -3.661 1.00 1.00 H new ATOM 633 N TYR A 43 8.561 9.852 -5.832 1.00 1.00 N ATOM 634 CA TYR A 43 7.807 8.693 -6.268 1.00 1.00 C ATOM 635 C TYR A 43 8.745 7.511 -6.463 1.00 1.00 C ATOM 636 O TYR A 43 8.773 6.948 -7.556 1.00 1.00 O ATOM 637 CB TYR A 43 7.076 9.024 -7.566 1.00 1.00 C ATOM 638 CG TYR A 43 6.083 10.153 -7.428 1.00 1.00 C ATOM 639 CD1 TYR A 43 6.535 11.473 -7.316 1.00 1.00 C ATOM 640 CD2 TYR A 43 4.710 9.880 -7.412 1.00 1.00 C ATOM 641 CE1 TYR A 43 5.615 12.520 -7.188 1.00 1.00 C ATOM 642 CE2 TYR A 43 3.789 10.927 -7.285 1.00 1.00 C ATOM 643 CZ TYR A 43 4.241 12.247 -7.173 1.00 1.00 C ATOM 644 OH TYR A 43 3.345 13.267 -7.049 1.00 1.00 O ATOM 0 H TYR A 43 9.470 9.957 -6.284 1.00 1.00 H new ATOM 0 HA TYR A 43 7.071 8.425 -5.510 1.00 1.00 H new ATOM 0 HB2 TYR A 43 7.809 9.287 -8.329 1.00 1.00 H new ATOM 0 HB3 TYR A 43 6.555 8.133 -7.917 1.00 1.00 H new ATOM 0 HD1 TYR A 43 7.594 11.684 -7.328 1.00 1.00 H new ATOM 0 HD2 TYR A 43 4.361 8.862 -7.498 1.00 1.00 H new ATOM 0 HE1 TYR A 43 5.964 13.538 -7.101 1.00 1.00 H new ATOM 0 HE2 TYR A 43 2.730 10.716 -7.273 1.00 1.00 H new ATOM 0 HH TYR A 43 3.248 13.504 -6.103 1.00 1.00 H new ATOM 654 N ALA A 44 9.482 7.160 -5.419 1.00 1.00 N ATOM 655 CA ALA A 44 10.410 6.044 -5.499 1.00 1.00 C ATOM 656 C ALA A 44 9.730 4.782 -4.963 1.00 1.00 C ATOM 657 O ALA A 44 8.935 4.851 -4.028 1.00 1.00 O ATOM 658 CB ALA A 44 11.689 6.388 -4.734 1.00 1.00 C ATOM 0 H ALA A 44 9.455 7.629 -4.513 1.00 1.00 H new ATOM 0 HA ALA A 44 10.692 5.852 -6.534 1.00 1.00 H new ATOM 0 HB1 ALA A 44 12.385 5.551 -4.794 1.00 1.00 H new ATOM 0 HB2 ALA A 44 12.148 7.274 -5.173 1.00 1.00 H new ATOM 0 HB3 ALA A 44 11.447 6.584 -3.690 1.00 1.00 H new ATOM 664 N LYS A 45 10.069 3.659 -5.579 1.00 1.00 N ATOM 665 CA LYS A 45 9.502 2.384 -5.175 1.00 1.00 C ATOM 666 C LYS A 45 9.423 2.326 -3.649 1.00 1.00 C ATOM 667 O LYS A 45 10.245 2.928 -2.958 1.00 1.00 O ATOM 668 CB LYS A 45 10.290 1.227 -5.795 1.00 1.00 C ATOM 669 CG LYS A 45 9.350 0.121 -6.279 1.00 1.00 C ATOM 670 CD LYS A 45 8.996 0.309 -7.755 1.00 1.00 C ATOM 671 CE LYS A 45 7.580 -0.190 -8.047 1.00 1.00 C ATOM 672 NZ LYS A 45 7.601 -1.208 -9.122 1.00 1.00 N ATOM 0 H LYS A 45 10.729 3.606 -6.355 1.00 1.00 H new ATOM 0 HA LYS A 45 8.484 2.284 -5.551 1.00 1.00 H new ATOM 0 HB2 LYS A 45 10.886 1.594 -6.631 1.00 1.00 H new ATOM 0 HB3 LYS A 45 10.986 0.822 -5.061 1.00 1.00 H new ATOM 0 HG2 LYS A 45 9.822 -0.851 -6.136 1.00 1.00 H new ATOM 0 HG3 LYS A 45 8.440 0.125 -5.680 1.00 1.00 H new ATOM 0 HD2 LYS A 45 9.076 1.363 -8.020 1.00 1.00 H new ATOM 0 HD3 LYS A 45 9.711 -0.231 -8.376 1.00 1.00 H new ATOM 0 HE2 LYS A 45 7.144 -0.616 -7.143 1.00 1.00 H new ATOM 0 HE3 LYS A 45 6.947 0.647 -8.342 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 7.094 -0.845 -9.954 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 8.586 -1.419 -9.381 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 7.138 -2.077 -8.787 1.00 1.00 H new ATOM 685 N CYS A 46 8.428 1.597 -3.167 1.00 1.00 N ATOM 686 CA CYS A 46 8.231 1.453 -1.734 1.00 1.00 C ATOM 687 C CYS A 46 9.564 1.045 -1.105 1.00 1.00 C ATOM 688 O CYS A 46 9.885 1.466 0.006 1.00 1.00 O ATOM 689 CB CYS A 46 7.119 0.452 -1.414 1.00 1.00 C ATOM 690 SG CYS A 46 5.742 1.128 -0.416 1.00 1.00 S ATOM 0 H CYS A 46 7.749 1.099 -3.743 1.00 1.00 H new ATOM 0 HA CYS A 46 7.907 2.404 -1.311 1.00 1.00 H new ATOM 0 HB2 CYS A 46 6.716 0.067 -2.350 1.00 1.00 H new ATOM 0 HB3 CYS A 46 7.553 -0.394 -0.882 1.00 1.00 H new ATOM 0 HG CYS A 46 4.859 0.197 -0.208 1.00 1.00 H new ATOM 695 N GLY A 47 10.306 0.231 -1.842 1.00 1.00 N ATOM 696 CA GLY A 47 11.597 -0.238 -1.369 1.00 1.00 C ATOM 697 C GLY A 47 12.739 0.432 -2.137 1.00 1.00 C ATOM 698 O GLY A 47 13.508 -0.239 -2.823 1.00 1.00 O ATOM 0 H GLY A 47 10.038 -0.115 -2.763 1.00 1.00 H new ATOM 0 HA2 GLY A 47 11.697 -0.027 -0.304 1.00 1.00 H new ATOM 0 HA3 GLY A 47 11.660 -1.320 -1.487 1.00 1.00 H new ATOM 702 N SER A 48 12.812 1.748 -1.996 1.00 1.00 N ATOM 703 CA SER A 48 13.846 2.516 -2.668 1.00 1.00 C ATOM 704 C SER A 48 15.018 2.761 -1.716 1.00 1.00 C ATOM 705 O SER A 48 14.906 2.523 -0.514 1.00 1.00 O ATOM 706 CB SER A 48 13.295 3.846 -3.186 1.00 1.00 C ATOM 707 OG SER A 48 14.328 4.699 -3.673 1.00 1.00 O ATOM 0 H SER A 48 12.172 2.301 -1.426 1.00 1.00 H new ATOM 0 HA SER A 48 14.197 1.941 -3.525 1.00 1.00 H new ATOM 0 HB2 SER A 48 12.577 3.655 -3.983 1.00 1.00 H new ATOM 0 HB3 SER A 48 12.755 4.351 -2.385 1.00 1.00 H new ATOM 0 HG SER A 48 14.142 5.623 -3.405 1.00 1.00 H new ATOM 713 N SER A 49 16.115 3.235 -2.288 1.00 1.00 N ATOM 714 CA SER A 49 17.306 3.515 -1.505 1.00 1.00 C ATOM 715 C SER A 49 16.958 4.435 -0.333 1.00 1.00 C ATOM 716 O SER A 49 16.345 5.484 -0.525 1.00 1.00 O ATOM 717 CB SER A 49 18.398 4.148 -2.370 1.00 1.00 C ATOM 718 OG SER A 49 18.093 5.497 -2.713 1.00 1.00 O ATOM 0 H SER A 49 16.204 3.432 -3.285 1.00 1.00 H new ATOM 0 HA SER A 49 17.689 2.571 -1.117 1.00 1.00 H new ATOM 0 HB2 SER A 49 19.348 4.116 -1.836 1.00 1.00 H new ATOM 0 HB3 SER A 49 18.524 3.562 -3.280 1.00 1.00 H new ATOM 0 HG SER A 49 17.432 5.853 -2.083 1.00 1.00 H new ATOM 724 N GLY A 50 17.364 4.009 0.853 1.00 1.00 N ATOM 725 CA GLY A 50 17.102 4.782 2.056 1.00 1.00 C ATOM 726 C GLY A 50 15.598 4.934 2.293 1.00 1.00 C ATOM 727 O GLY A 50 15.105 6.045 2.483 1.00 1.00 O ATOM 0 H GLY A 50 17.873 3.138 1.008 1.00 1.00 H new ATOM 0 HA2 GLY A 50 17.561 4.292 2.915 1.00 1.00 H new ATOM 0 HA3 GLY A 50 17.561 5.767 1.967 1.00 1.00 H new ATOM 731 N CYS A 51 14.911 3.801 2.275 1.00 1.00 N ATOM 732 CA CYS A 51 13.474 3.794 2.486 1.00 1.00 C ATOM 733 C CYS A 51 13.096 2.484 3.179 1.00 1.00 C ATOM 734 O CYS A 51 13.831 1.985 4.029 1.00 1.00 O ATOM 735 CB CYS A 51 12.708 3.988 1.175 1.00 1.00 C ATOM 736 SG CYS A 51 13.402 5.405 0.249 1.00 1.00 S ATOM 0 H CYS A 51 15.323 2.881 2.117 1.00 1.00 H new ATOM 0 HA CYS A 51 13.194 4.634 3.122 1.00 1.00 H new ATOM 0 HB2 CYS A 51 12.770 3.083 0.571 1.00 1.00 H new ATOM 0 HB3 CYS A 51 11.652 4.161 1.383 1.00 1.00 H new ATOM 0 HG CYS A 51 14.019 6.201 1.071 1.00 1.00 H new ATOM 741 N HIS A 52 11.937 1.953 2.788 1.00 1.00 N ATOM 742 CA HIS A 52 11.412 0.707 3.336 1.00 1.00 C ATOM 743 C HIS A 52 11.899 -0.481 2.487 1.00 1.00 C ATOM 744 O HIS A 52 11.177 -0.953 1.610 1.00 1.00 O ATOM 745 CB HIS A 52 9.884 0.819 3.448 1.00 1.00 C ATOM 746 CG HIS A 52 9.332 2.145 3.917 1.00 1.00 C ATOM 747 ND1 HIS A 52 9.361 2.523 5.199 1.00 1.00 N ATOM 748 CD2 HIS A 52 8.733 3.173 3.229 1.00 1.00 C ATOM 749 CE1 HIS A 52 8.803 3.739 5.305 1.00 1.00 C ATOM 750 NE2 HIS A 52 8.398 4.187 4.117 1.00 1.00 N ATOM 0 H HIS A 52 11.337 2.377 2.081 1.00 1.00 H new ATOM 0 HA HIS A 52 11.787 0.524 4.343 1.00 1.00 H new ATOM 0 HB2 HIS A 52 9.454 0.598 2.471 1.00 1.00 H new ATOM 0 HB3 HIS A 52 9.536 0.045 4.132 1.00 1.00 H new ATOM 0 HD1 HIS A 52 9.744 1.977 5.970 1.00 1.00 H new ATOM 0 HD2 HIS A 52 8.551 3.190 2.165 1.00 1.00 H new ATOM 0 HE1 HIS A 52 8.696 4.283 6.232 1.00 1.00 H new ATOM 758 N ASP A 53 13.113 -0.926 2.778 1.00 1.00 N ATOM 759 CA ASP A 53 13.694 -2.043 2.054 1.00 1.00 C ATOM 760 C ASP A 53 14.329 -3.016 3.050 1.00 1.00 C ATOM 761 O ASP A 53 15.475 -3.429 2.876 1.00 1.00 O ATOM 762 CB ASP A 53 14.788 -1.569 1.094 1.00 1.00 C ATOM 763 CG ASP A 53 16.090 -1.129 1.765 1.00 1.00 C ATOM 764 OD1 ASP A 53 16.122 -0.838 2.970 1.00 1.00 O ATOM 765 OD2 ASP A 53 17.118 -1.090 0.986 1.00 1.00 O ATOM 0 H ASP A 53 13.710 -0.533 3.506 1.00 1.00 H new ATOM 0 HA ASP A 53 12.899 -2.526 1.485 1.00 1.00 H new ATOM 0 HB2 ASP A 53 15.011 -2.375 0.395 1.00 1.00 H new ATOM 0 HB3 ASP A 53 14.400 -0.737 0.507 1.00 1.00 H new ATOM 771 N ASP A 54 13.557 -3.353 4.073 1.00 1.00 N ATOM 772 CA ASP A 54 14.030 -4.269 5.097 1.00 1.00 C ATOM 773 C ASP A 54 12.852 -5.092 5.622 1.00 1.00 C ATOM 774 O ASP A 54 12.108 -4.635 6.488 1.00 1.00 O ATOM 775 CB ASP A 54 14.639 -3.510 6.277 1.00 1.00 C ATOM 776 CG ASP A 54 16.086 -3.882 6.608 1.00 1.00 C ATOM 777 OD1 ASP A 54 16.435 -4.115 7.775 1.00 1.00 O ATOM 778 OD2 ASP A 54 16.882 -3.929 5.594 1.00 1.00 O ATOM 0 H ASP A 54 12.608 -3.008 4.215 1.00 1.00 H new ATOM 0 HA ASP A 54 14.790 -4.910 4.650 1.00 1.00 H new ATOM 0 HB2 ASP A 54 14.594 -2.442 6.065 1.00 1.00 H new ATOM 0 HB3 ASP A 54 14.024 -3.686 7.159 1.00 1.00 H new ATOM 784 N LEU A 55 12.719 -6.292 5.076 1.00 1.00 N ATOM 785 CA LEU A 55 11.644 -7.183 5.479 1.00 1.00 C ATOM 786 C LEU A 55 12.157 -8.138 6.558 1.00 1.00 C ATOM 787 O LEU A 55 11.557 -9.184 6.803 1.00 1.00 O ATOM 788 CB LEU A 55 11.052 -7.893 4.260 1.00 1.00 C ATOM 789 CG LEU A 55 9.653 -7.443 3.836 1.00 1.00 C ATOM 790 CD1 LEU A 55 9.473 -7.566 2.321 1.00 1.00 C ATOM 791 CD2 LEU A 55 8.574 -8.208 4.605 1.00 1.00 C ATOM 0 H LEU A 55 13.338 -6.668 4.358 1.00 1.00 H new ATOM 0 HA LEU A 55 10.823 -6.616 5.919 1.00 1.00 H new ATOM 0 HB2 LEU A 55 11.729 -7.751 3.417 1.00 1.00 H new ATOM 0 HB3 LEU A 55 11.021 -8.963 4.467 1.00 1.00 H new ATOM 0 HG LEU A 55 9.542 -6.389 4.089 1.00 1.00 H new ATOM 0 HD11 LEU A 55 8.470 -7.240 2.046 1.00 1.00 H new ATOM 0 HD12 LEU A 55 10.209 -6.941 1.815 1.00 1.00 H new ATOM 0 HD13 LEU A 55 9.612 -8.605 2.021 1.00 1.00 H new ATOM 0 HD21 LEU A 55 7.589 -7.869 4.284 1.00 1.00 H new ATOM 0 HD22 LEU A 55 8.673 -9.275 4.406 1.00 1.00 H new ATOM 0 HD23 LEU A 55 8.690 -8.026 5.673 1.00 1.00 H new ATOM 803 N THR A 56 13.261 -7.745 7.176 1.00 1.00 N ATOM 804 CA THR A 56 13.861 -8.553 8.223 1.00 1.00 C ATOM 805 C THR A 56 13.479 -8.010 9.601 1.00 1.00 C ATOM 806 O THR A 56 13.232 -8.778 10.529 1.00 1.00 O ATOM 807 CB THR A 56 15.372 -8.593 7.983 1.00 1.00 C ATOM 808 OG1 THR A 56 15.583 -9.828 7.304 1.00 1.00 O ATOM 809 CG2 THR A 56 16.167 -8.741 9.282 1.00 1.00 C ATOM 0 H THR A 56 13.756 -6.877 6.971 1.00 1.00 H new ATOM 0 HA THR A 56 13.486 -9.576 8.196 1.00 1.00 H new ATOM 0 HB THR A 56 15.682 -7.683 7.469 1.00 1.00 H new ATOM 0 HG1 THR A 56 16.537 -9.935 7.108 1.00 1.00 H new ATOM 0 HG21 THR A 56 17.233 -8.764 9.056 1.00 1.00 H new ATOM 0 HG22 THR A 56 15.954 -7.897 9.937 1.00 1.00 H new ATOM 0 HG23 THR A 56 15.882 -9.668 9.780 1.00 1.00 H new ATOM 817 N ALA A 57 13.442 -6.688 9.692 1.00 1.00 N ATOM 818 CA ALA A 57 13.094 -6.033 10.941 1.00 1.00 C ATOM 819 C ALA A 57 11.731 -6.540 11.415 1.00 1.00 C ATOM 820 O ALA A 57 11.606 -7.042 12.532 1.00 1.00 O ATOM 821 CB ALA A 57 13.116 -4.516 10.744 1.00 1.00 C ATOM 0 H ALA A 57 13.647 -6.053 8.920 1.00 1.00 H new ATOM 0 HA ALA A 57 13.822 -6.272 11.716 1.00 1.00 H new ATOM 0 HB1 ALA A 57 12.855 -4.024 11.681 1.00 1.00 H new ATOM 0 HB2 ALA A 57 14.114 -4.204 10.436 1.00 1.00 H new ATOM 0 HB3 ALA A 57 12.395 -4.238 9.975 1.00 1.00 H new ATOM 827 N LYS A 58 10.744 -6.392 10.544 1.00 1.00 N ATOM 828 CA LYS A 58 9.395 -6.829 10.860 1.00 1.00 C ATOM 829 C LYS A 58 8.625 -5.671 11.497 1.00 1.00 C ATOM 830 O LYS A 58 7.398 -5.620 11.421 1.00 1.00 O ATOM 831 CB LYS A 58 9.429 -8.092 11.722 1.00 1.00 C ATOM 832 CG LYS A 58 10.501 -9.065 11.227 1.00 1.00 C ATOM 833 CD LYS A 58 9.890 -10.424 10.880 1.00 1.00 C ATOM 834 CE LYS A 58 10.807 -11.215 9.944 1.00 1.00 C ATOM 835 NZ LYS A 58 11.386 -12.380 10.649 1.00 1.00 N ATOM 0 H LYS A 58 10.852 -5.975 9.619 1.00 1.00 H new ATOM 0 HA LYS A 58 8.861 -7.106 9.951 1.00 1.00 H new ATOM 0 HB2 LYS A 58 9.628 -7.823 12.759 1.00 1.00 H new ATOM 0 HB3 LYS A 58 8.454 -8.578 11.700 1.00 1.00 H new ATOM 0 HG2 LYS A 58 10.996 -8.650 10.349 1.00 1.00 H new ATOM 0 HG3 LYS A 58 11.265 -9.191 11.994 1.00 1.00 H new ATOM 0 HD2 LYS A 58 9.718 -10.993 11.793 1.00 1.00 H new ATOM 0 HD3 LYS A 58 8.919 -10.280 10.407 1.00 1.00 H new ATOM 0 HE2 LYS A 58 10.244 -11.552 9.073 1.00 1.00 H new ATOM 0 HE3 LYS A 58 11.606 -10.570 9.577 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 12.006 -12.906 10.000 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 11.939 -12.051 11.466 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 10.620 -13.003 10.977 1.00 1.00 H new ATOM 848 N LYS A 59 9.376 -4.769 12.111 1.00 1.00 N ATOM 849 CA LYS A 59 8.779 -3.614 12.761 1.00 1.00 C ATOM 850 C LYS A 59 9.792 -2.467 12.783 1.00 1.00 C ATOM 851 O LYS A 59 10.967 -2.678 13.077 1.00 1.00 O ATOM 852 CB LYS A 59 8.249 -3.993 14.145 1.00 1.00 C ATOM 853 CG LYS A 59 9.386 -4.074 15.165 1.00 1.00 C ATOM 854 CD LYS A 59 8.841 -4.094 16.595 1.00 1.00 C ATOM 855 CE LYS A 59 9.628 -5.072 17.468 1.00 1.00 C ATOM 856 NZ LYS A 59 10.436 -4.340 18.469 1.00 1.00 N ATOM 0 H LYS A 59 10.393 -4.814 12.172 1.00 1.00 H new ATOM 0 HA LYS A 59 7.913 -3.265 12.198 1.00 1.00 H new ATOM 0 HB2 LYS A 59 7.515 -3.256 14.471 1.00 1.00 H new ATOM 0 HB3 LYS A 59 7.735 -4.953 14.091 1.00 1.00 H new ATOM 0 HG2 LYS A 59 9.977 -4.972 14.985 1.00 1.00 H new ATOM 0 HG3 LYS A 59 10.054 -3.222 15.039 1.00 1.00 H new ATOM 0 HD2 LYS A 59 8.897 -3.093 17.023 1.00 1.00 H new ATOM 0 HD3 LYS A 59 7.789 -4.378 16.583 1.00 1.00 H new ATOM 0 HE2 LYS A 59 8.941 -5.751 17.973 1.00 1.00 H new ATOM 0 HE3 LYS A 59 10.279 -5.683 16.843 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 10.964 -5.020 19.053 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 11.104 -3.710 17.982 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 9.808 -3.776 19.076 1.00 1.00 H new ATOM 869 N GLY A 60 9.297 -1.278 12.469 1.00 1.00 N ATOM 870 CA GLY A 60 10.144 -0.098 12.450 1.00 1.00 C ATOM 871 C GLY A 60 9.875 0.749 11.204 1.00 1.00 C ATOM 872 O GLY A 60 9.025 0.403 10.386 1.00 1.00 O ATOM 0 H GLY A 60 8.321 -1.107 12.226 1.00 1.00 H new ATOM 0 HA2 GLY A 60 9.964 0.498 13.345 1.00 1.00 H new ATOM 0 HA3 GLY A 60 11.192 -0.397 12.471 1.00 1.00 H new ATOM 876 N GLU A 61 10.616 1.842 11.099 1.00 1.00 N ATOM 877 CA GLU A 61 10.469 2.741 9.967 1.00 1.00 C ATOM 878 C GLU A 61 11.318 2.256 8.791 1.00 1.00 C ATOM 879 O GLU A 61 11.559 3.005 7.844 1.00 1.00 O ATOM 880 CB GLU A 61 10.835 4.175 10.354 1.00 1.00 C ATOM 881 CG GLU A 61 12.099 4.205 11.216 1.00 1.00 C ATOM 882 CD GLU A 61 11.748 4.252 12.704 1.00 1.00 C ATOM 883 OE1 GLU A 61 12.118 5.210 13.398 1.00 1.00 O ATOM 884 OE2 GLU A 61 11.064 3.247 13.135 1.00 1.00 O ATOM 0 H GLU A 61 11.321 2.126 11.780 1.00 1.00 H new ATOM 0 HA GLU A 61 9.423 2.739 9.660 1.00 1.00 H new ATOM 0 HB2 GLU A 61 10.990 4.770 9.454 1.00 1.00 H new ATOM 0 HB3 GLU A 61 10.008 4.631 10.899 1.00 1.00 H new ATOM 0 HG2 GLU A 61 12.705 3.323 11.010 1.00 1.00 H new ATOM 0 HG3 GLU A 61 12.702 5.074 10.953 1.00 1.00 H new ATOM 892 N LYS A 62 11.750 1.008 8.888 1.00 1.00 N ATOM 893 CA LYS A 62 12.567 0.414 7.844 1.00 1.00 C ATOM 894 C LYS A 62 12.006 -0.963 7.483 1.00 1.00 C ATOM 895 O LYS A 62 12.763 -1.892 7.204 1.00 1.00 O ATOM 896 CB LYS A 62 14.038 0.388 8.264 1.00 1.00 C ATOM 897 CG LYS A 62 14.528 1.790 8.631 1.00 1.00 C ATOM 898 CD LYS A 62 15.716 2.202 7.759 1.00 1.00 C ATOM 899 CE LYS A 62 17.014 2.211 8.569 1.00 1.00 C ATOM 900 NZ LYS A 62 17.579 3.578 8.626 1.00 1.00 N ATOM 0 H LYS A 62 11.549 0.391 9.675 1.00 1.00 H new ATOM 0 HA LYS A 62 12.528 1.021 6.939 1.00 1.00 H new ATOM 0 HB2 LYS A 62 14.165 -0.280 9.116 1.00 1.00 H new ATOM 0 HB3 LYS A 62 14.645 -0.012 7.452 1.00 1.00 H new ATOM 0 HG2 LYS A 62 13.716 2.507 8.508 1.00 1.00 H new ATOM 0 HG3 LYS A 62 14.818 1.814 9.681 1.00 1.00 H new ATOM 0 HD2 LYS A 62 15.812 1.513 6.920 1.00 1.00 H new ATOM 0 HD3 LYS A 62 15.538 3.192 7.340 1.00 1.00 H new ATOM 0 HE2 LYS A 62 16.822 1.848 9.579 1.00 1.00 H new ATOM 0 HE3 LYS A 62 17.736 1.531 8.117 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 18.460 3.567 9.179 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 17.780 3.911 7.662 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 16.895 4.218 9.077 1.00 1.00 H new ATOM 913 N SER A 63 10.684 -1.051 7.500 1.00 1.00 N ATOM 914 CA SER A 63 10.013 -2.299 7.179 1.00 1.00 C ATOM 915 C SER A 63 8.853 -2.036 6.216 1.00 1.00 C ATOM 916 O SER A 63 8.179 -1.012 6.315 1.00 1.00 O ATOM 917 CB SER A 63 9.506 -2.994 8.444 1.00 1.00 C ATOM 918 OG SER A 63 9.392 -4.403 8.270 1.00 1.00 O ATOM 0 H SER A 63 10.060 -0.278 7.731 1.00 1.00 H new ATOM 0 HA SER A 63 10.733 -2.961 6.698 1.00 1.00 H new ATOM 0 HB2 SER A 63 10.186 -2.785 9.270 1.00 1.00 H new ATOM 0 HB3 SER A 63 8.535 -2.583 8.719 1.00 1.00 H new ATOM 0 HG SER A 63 10.151 -4.730 7.743 1.00 1.00 H new ATOM 924 N LEU A 64 8.656 -2.979 5.307 1.00 1.00 N ATOM 925 CA LEU A 64 7.588 -2.863 4.327 1.00 1.00 C ATOM 926 C LEU A 64 6.413 -3.745 4.753 1.00 1.00 C ATOM 927 O LEU A 64 5.740 -4.373 3.939 1.00 1.00 O ATOM 928 CB LEU A 64 8.113 -3.172 2.924 1.00 1.00 C ATOM 929 CG LEU A 64 7.131 -2.939 1.774 1.00 1.00 C ATOM 930 CD1 LEU A 64 6.819 -1.450 1.612 1.00 1.00 C ATOM 931 CD2 LEU A 64 7.650 -3.560 0.476 1.00 1.00 C ATOM 0 H LEU A 64 9.217 -3.827 5.228 1.00 1.00 H new ATOM 0 HA LEU A 64 7.218 -1.838 4.285 1.00 1.00 H new ATOM 0 HB2 LEU A 64 9.000 -2.563 2.747 1.00 1.00 H new ATOM 0 HB3 LEU A 64 8.431 -4.214 2.898 1.00 1.00 H new ATOM 0 HG LEU A 64 6.194 -3.439 2.019 1.00 1.00 H new ATOM 0 HD11 LEU A 64 6.119 -1.313 0.788 1.00 1.00 H new ATOM 0 HD12 LEU A 64 6.376 -1.069 2.532 1.00 1.00 H new ATOM 0 HD13 LEU A 64 7.740 -0.906 1.400 1.00 1.00 H new ATOM 0 HD21 LEU A 64 6.933 -3.380 -0.325 1.00 1.00 H new ATOM 0 HD22 LEU A 64 8.607 -3.109 0.215 1.00 1.00 H new ATOM 0 HD23 LEU A 64 7.780 -4.634 0.613 1.00 1.00 H new ATOM 943 N TYR A 65 6.179 -3.778 6.067 1.00 1.00 N ATOM 944 CA TYR A 65 5.102 -4.567 6.630 1.00 1.00 C ATOM 945 C TYR A 65 4.296 -3.720 7.604 1.00 1.00 C ATOM 946 O TYR A 65 3.079 -3.868 7.700 1.00 1.00 O ATOM 947 CB TYR A 65 5.685 -5.791 7.331 1.00 1.00 C ATOM 948 CG TYR A 65 4.784 -6.357 8.403 1.00 1.00 C ATOM 949 CD1 TYR A 65 3.805 -7.301 8.068 1.00 1.00 C ATOM 950 CD2 TYR A 65 4.928 -5.939 9.731 1.00 1.00 C ATOM 951 CE1 TYR A 65 2.970 -7.825 9.061 1.00 1.00 C ATOM 952 CE2 TYR A 65 4.092 -6.464 10.724 1.00 1.00 C ATOM 953 CZ TYR A 65 3.113 -7.407 10.390 1.00 1.00 C ATOM 954 OH TYR A 65 2.299 -7.917 11.358 1.00 1.00 O ATOM 0 H TYR A 65 6.728 -3.263 6.756 1.00 1.00 H new ATOM 0 HA TYR A 65 4.436 -4.902 5.835 1.00 1.00 H new ATOM 0 HB2 TYR A 65 5.884 -6.564 6.589 1.00 1.00 H new ATOM 0 HB3 TYR A 65 6.643 -5.523 7.777 1.00 1.00 H new ATOM 0 HD1 TYR A 65 3.695 -7.624 7.043 1.00 1.00 H new ATOM 0 HD2 TYR A 65 5.684 -5.212 9.990 1.00 1.00 H new ATOM 0 HE1 TYR A 65 2.215 -8.552 8.802 1.00 1.00 H new ATOM 0 HE2 TYR A 65 4.203 -6.141 11.749 1.00 1.00 H new ATOM 0 HH TYR A 65 2.533 -7.522 12.224 1.00 1.00 H new ATOM 964 N TYR A 66 4.977 -2.830 8.328 1.00 1.00 N ATOM 965 CA TYR A 66 4.322 -1.967 9.290 1.00 1.00 C ATOM 966 C TYR A 66 3.836 -0.700 8.600 1.00 1.00 C ATOM 967 O TYR A 66 3.239 0.146 9.264 1.00 1.00 O ATOM 968 CB TYR A 66 5.296 -1.630 10.415 1.00 1.00 C ATOM 969 CG TYR A 66 4.692 -0.768 11.498 1.00 1.00 C ATOM 970 CD1 TYR A 66 3.909 -1.352 12.501 1.00 1.00 C ATOM 971 CD2 TYR A 66 4.915 0.614 11.499 1.00 1.00 C ATOM 972 CE1 TYR A 66 3.349 -0.553 13.506 1.00 1.00 C ATOM 973 CE2 TYR A 66 4.354 1.413 12.503 1.00 1.00 C ATOM 974 CZ TYR A 66 3.572 0.829 13.507 1.00 1.00 C ATOM 975 OH TYR A 66 3.026 1.607 14.486 1.00 1.00 O ATOM 0 H TYR A 66 5.986 -2.694 8.260 1.00 1.00 H new ATOM 0 HA TYR A 66 3.459 -2.479 9.715 1.00 1.00 H new ATOM 0 HB2 TYR A 66 5.659 -2.556 10.860 1.00 1.00 H new ATOM 0 HB3 TYR A 66 6.161 -1.118 9.994 1.00 1.00 H new ATOM 0 HD1 TYR A 66 3.737 -2.418 12.500 1.00 1.00 H new ATOM 0 HD2 TYR A 66 5.520 1.064 10.726 1.00 1.00 H new ATOM 0 HE1 TYR A 66 2.745 -1.003 14.280 1.00 1.00 H new ATOM 0 HE2 TYR A 66 4.524 2.479 12.503 1.00 1.00 H new ATOM 0 HH TYR A 66 3.279 2.542 14.340 1.00 1.00 H new ATOM 985 N VAL A 67 4.094 -0.594 7.305 1.00 1.00 N ATOM 986 CA VAL A 67 3.672 0.575 6.552 1.00 1.00 C ATOM 987 C VAL A 67 2.738 0.139 5.422 1.00 1.00 C ATOM 988 O VAL A 67 2.284 0.966 4.632 1.00 1.00 O ATOM 989 CB VAL A 67 4.897 1.344 6.051 1.00 1.00 C ATOM 990 CG1 VAL A 67 5.867 1.637 7.198 1.00 1.00 C ATOM 991 CG2 VAL A 67 5.597 0.586 4.922 1.00 1.00 C ATOM 0 H VAL A 67 4.590 -1.298 6.758 1.00 1.00 H new ATOM 0 HA VAL A 67 3.113 1.259 7.190 1.00 1.00 H new ATOM 0 HB VAL A 67 4.553 2.298 5.651 1.00 1.00 H new ATOM 0 HG11 VAL A 67 6.729 2.184 6.815 1.00 1.00 H new ATOM 0 HG12 VAL A 67 5.364 2.237 7.956 1.00 1.00 H new ATOM 0 HG13 VAL A 67 6.201 0.699 7.641 1.00 1.00 H new ATOM 0 HG21 VAL A 67 6.464 1.155 4.585 1.00 1.00 H new ATOM 0 HG22 VAL A 67 5.922 -0.389 5.285 1.00 1.00 H new ATOM 0 HG23 VAL A 67 4.905 0.452 4.090 1.00 1.00 H new ATOM 1001 N VAL A 68 2.477 -1.159 5.380 1.00 1.00 N ATOM 1002 CA VAL A 68 1.605 -1.716 4.360 1.00 1.00 C ATOM 1003 C VAL A 68 0.229 -1.994 4.969 1.00 1.00 C ATOM 1004 O VAL A 68 -0.799 -1.668 4.379 1.00 1.00 O ATOM 1005 CB VAL A 68 2.248 -2.959 3.742 1.00 1.00 C ATOM 1006 CG1 VAL A 68 1.183 -3.944 3.257 1.00 1.00 C ATOM 1007 CG2 VAL A 68 3.199 -2.576 2.606 1.00 1.00 C ATOM 0 H VAL A 68 2.855 -1.842 6.037 1.00 1.00 H new ATOM 0 HA VAL A 68 1.463 -1.003 3.548 1.00 1.00 H new ATOM 0 HB VAL A 68 2.833 -3.454 4.517 1.00 1.00 H new ATOM 0 HG11 VAL A 68 1.667 -4.818 2.822 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.563 -4.253 4.099 1.00 1.00 H new ATOM 0 HG13 VAL A 68 0.559 -3.463 2.504 1.00 1.00 H new ATOM 0 HG21 VAL A 68 3.643 -3.477 2.184 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.645 -2.047 1.831 1.00 1.00 H new ATOM 0 HG23 VAL A 68 3.987 -1.931 2.993 1.00 1.00 H new ATOM 1017 N HIS A 69 0.250 -2.602 6.155 1.00 1.00 N ATOM 1018 CA HIS A 69 -0.962 -2.949 6.889 1.00 1.00 C ATOM 1019 C HIS A 69 -1.274 -1.855 7.926 1.00 1.00 C ATOM 1020 O HIS A 69 -2.108 -0.986 7.677 1.00 1.00 O ATOM 1021 CB HIS A 69 -0.798 -4.355 7.484 1.00 1.00 C ATOM 1022 CG HIS A 69 -0.329 -5.441 6.543 1.00 1.00 C ATOM 1023 ND1 HIS A 69 0.965 -5.693 6.322 1.00 1.00 N ATOM 1024 CD2 HIS A 69 -1.030 -6.336 5.770 1.00 1.00 C ATOM 1025 CE1 HIS A 69 1.066 -6.704 5.445 1.00 1.00 C ATOM 1026 NE2 HIS A 69 -0.136 -7.139 5.072 1.00 1.00 N ATOM 0 H HIS A 69 1.111 -2.867 6.633 1.00 1.00 H new ATOM 0 HA HIS A 69 -1.830 -2.988 6.230 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -0.091 -4.294 8.312 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -1.756 -4.660 7.905 1.00 1.00 H new ATOM 0 HD1 HIS A 69 1.748 -5.198 6.750 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -2.106 -6.404 5.714 1.00 1.00 H new ATOM 0 HE1 HIS A 69 2.000 -7.112 5.088 1.00 1.00 H new ATOM 1034 N ALA A 70 -0.589 -1.935 9.057 1.00 1.00 N ATOM 1035 CA ALA A 70 -0.785 -0.965 10.121 1.00 1.00 C ATOM 1036 C ALA A 70 -2.075 -0.184 9.863 1.00 1.00 C ATOM 1037 O ALA A 70 -2.046 0.890 9.265 1.00 1.00 O ATOM 1038 CB ALA A 70 0.440 -0.052 10.212 1.00 1.00 C ATOM 0 H ALA A 70 0.103 -2.657 9.260 1.00 1.00 H new ATOM 0 HA ALA A 70 -0.890 -1.467 11.083 1.00 1.00 H new ATOM 0 HB1 ALA A 70 0.293 0.676 11.010 1.00 1.00 H new ATOM 0 HB2 ALA A 70 1.325 -0.651 10.426 1.00 1.00 H new ATOM 0 HB3 ALA A 70 0.575 0.471 9.265 1.00 1.00 H new ATOM 1044 N ARG A 71 -3.178 -0.756 10.325 1.00 1.00 N ATOM 1045 CA ARG A 71 -4.476 -0.127 10.152 1.00 1.00 C ATOM 1046 C ARG A 71 -4.732 0.880 11.274 1.00 1.00 C ATOM 1047 O ARG A 71 -5.859 1.339 11.455 1.00 1.00 O ATOM 1048 CB ARG A 71 -5.596 -1.170 10.146 1.00 1.00 C ATOM 1049 CG ARG A 71 -6.119 -1.420 11.561 1.00 1.00 C ATOM 1050 CD ARG A 71 -7.582 -0.989 11.690 1.00 1.00 C ATOM 1051 NE ARG A 71 -8.171 -1.559 12.922 1.00 1.00 N ATOM 1052 CZ ARG A 71 -9.272 -1.070 13.531 1.00 1.00 C ATOM 1053 NH1 ARG A 71 -9.914 0.005 13.025 1.00 1.00 N ATOM 1054 NH2 ARG A 71 -9.712 -1.658 14.628 1.00 1.00 N ATOM 0 H ARG A 71 -3.199 -1.648 10.819 1.00 1.00 H new ATOM 0 HA ARG A 71 -4.470 0.389 9.192 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -6.411 -0.830 9.508 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -5.227 -2.103 9.721 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -6.025 -2.478 11.805 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -5.510 -0.872 12.280 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -7.648 0.099 11.715 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -8.146 -1.323 10.819 1.00 1.00 H new ATOM 0 HE ARG A 71 -7.717 -2.372 13.337 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -9.568 0.453 12.177 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -10.745 0.369 13.491 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -9.221 -2.470 15.004 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -10.543 -1.301 15.100 1.00 1.00 H new ATOM 1064 N GLY A 72 -3.668 1.195 11.998 1.00 1.00 N ATOM 1065 CA GLY A 72 -3.764 2.140 13.097 1.00 1.00 C ATOM 1066 C GLY A 72 -3.389 3.552 12.642 1.00 1.00 C ATOM 1067 O GLY A 72 -3.260 3.808 11.445 1.00 1.00 O ATOM 0 H GLY A 72 -2.735 0.812 11.845 1.00 1.00 H new ATOM 0 HA2 GLY A 72 -4.779 2.140 13.494 1.00 1.00 H new ATOM 0 HA3 GLY A 72 -3.105 1.828 13.908 1.00 1.00 H new ATOM 1071 N GLU A 73 -3.226 4.431 13.619 1.00 1.00 N ATOM 1072 CA GLU A 73 -2.868 5.810 13.333 1.00 1.00 C ATOM 1073 C GLU A 73 -1.364 5.927 13.080 1.00 1.00 C ATOM 1074 O GLU A 73 -0.567 5.859 14.014 1.00 1.00 O ATOM 1075 CB GLU A 73 -3.307 6.737 14.469 1.00 1.00 C ATOM 1076 CG GLU A 73 -4.695 7.320 14.195 1.00 1.00 C ATOM 1077 CD GLU A 73 -4.594 8.629 13.409 1.00 1.00 C ATOM 1078 OE1 GLU A 73 -3.823 8.713 12.441 1.00 1.00 O ATOM 1079 OE2 GLU A 73 -5.354 9.580 13.835 1.00 1.00 O ATOM 0 H GLU A 73 -3.335 4.215 14.610 1.00 1.00 H new ATOM 0 HA GLU A 73 -3.393 6.121 12.430 1.00 1.00 H new ATOM 0 HB2 GLU A 73 -3.319 6.186 15.409 1.00 1.00 H new ATOM 0 HB3 GLU A 73 -2.585 7.546 14.583 1.00 1.00 H new ATOM 0 HG2 GLU A 73 -5.292 6.600 13.635 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -5.212 7.497 15.138 1.00 1.00 H new ATOM 1087 N LEU A 74 -1.021 6.101 11.812 1.00 1.00 N ATOM 1088 CA LEU A 74 0.373 6.228 11.425 1.00 1.00 C ATOM 1089 C LEU A 74 0.634 7.653 10.933 1.00 1.00 C ATOM 1090 O LEU A 74 -0.296 8.449 10.805 1.00 1.00 O ATOM 1091 CB LEU A 74 0.747 5.148 10.407 1.00 1.00 C ATOM 1092 CG LEU A 74 0.473 3.704 10.830 1.00 1.00 C ATOM 1093 CD1 LEU A 74 0.609 2.750 9.643 1.00 1.00 C ATOM 1094 CD2 LEU A 74 1.372 3.295 12.000 1.00 1.00 C ATOM 0 H LEU A 74 -1.685 6.157 11.040 1.00 1.00 H new ATOM 0 HA LEU A 74 1.023 6.063 12.284 1.00 1.00 H new ATOM 0 HB2 LEU A 74 0.204 5.344 9.483 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.809 5.244 10.179 1.00 1.00 H new ATOM 0 HG LEU A 74 -0.558 3.640 11.178 1.00 1.00 H new ATOM 0 HD11 LEU A 74 0.409 1.730 9.971 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -0.106 3.029 8.869 1.00 1.00 H new ATOM 0 HD13 LEU A 74 1.621 2.810 9.242 1.00 1.00 H new ATOM 0 HD21 LEU A 74 1.157 2.264 12.281 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.417 3.379 11.703 1.00 1.00 H new ATOM 0 HD23 LEU A 74 1.183 3.950 12.850 1.00 1.00 H new ATOM 1106 N LYS A 75 1.902 7.932 10.671 1.00 1.00 N ATOM 1107 CA LYS A 75 2.296 9.248 10.196 1.00 1.00 C ATOM 1108 C LYS A 75 1.397 9.653 9.026 1.00 1.00 C ATOM 1109 O LYS A 75 0.831 10.745 9.023 1.00 1.00 O ATOM 1110 CB LYS A 75 3.789 9.272 9.862 1.00 1.00 C ATOM 1111 CG LYS A 75 4.305 10.708 9.758 1.00 1.00 C ATOM 1112 CD LYS A 75 5.820 10.763 9.962 1.00 1.00 C ATOM 1113 CE LYS A 75 6.509 11.436 8.773 1.00 1.00 C ATOM 1114 NZ LYS A 75 6.483 12.908 8.924 1.00 1.00 N ATOM 0 H LYS A 75 2.670 7.270 10.778 1.00 1.00 H new ATOM 0 HA LYS A 75 2.156 9.994 10.979 1.00 1.00 H new ATOM 0 HB2 LYS A 75 4.346 8.737 10.631 1.00 1.00 H new ATOM 0 HB3 LYS A 75 3.963 8.750 8.921 1.00 1.00 H new ATOM 0 HG2 LYS A 75 4.051 11.119 8.781 1.00 1.00 H new ATOM 0 HG3 LYS A 75 3.811 11.330 10.504 1.00 1.00 H new ATOM 0 HD2 LYS A 75 6.048 11.311 10.877 1.00 1.00 H new ATOM 0 HD3 LYS A 75 6.210 9.753 10.089 1.00 1.00 H new ATOM 0 HE2 LYS A 75 7.540 11.090 8.699 1.00 1.00 H new ATOM 0 HE3 LYS A 75 6.010 11.151 7.847 1.00 1.00 H new ATOM 0 HZ1 LYS A 75 6.955 13.349 8.109 1.00 1.00 H new ATOM 0 HZ2 LYS A 75 5.497 13.235 8.972 1.00 1.00 H new ATOM 0 HZ3 LYS A 75 6.979 13.176 9.798 1.00 1.00 H new ATOM 1127 N HIS A 76 1.296 8.752 8.060 1.00 1.00 N ATOM 1128 CA HIS A 76 0.475 9.003 6.887 1.00 1.00 C ATOM 1129 C HIS A 76 -0.782 8.133 6.945 1.00 1.00 C ATOM 1130 O HIS A 76 -1.374 7.962 8.010 1.00 1.00 O ATOM 1131 CB HIS A 76 1.283 8.792 5.604 1.00 1.00 C ATOM 1132 CG HIS A 76 2.672 9.383 5.649 1.00 1.00 C ATOM 1133 ND1 HIS A 76 3.093 10.677 5.570 1.00 1.00 N flip ATOM 1134 CD2 HIS A 76 3.811 8.609 5.790 1.00 1.00 C flip ATOM 1135 CE1 HIS A 76 4.417 10.695 5.659 1.00 1.00 C flip ATOM 1136 NE2 HIS A 76 4.864 9.413 5.795 1.00 1.00 N flip ATOM 0 H HIS A 76 1.768 7.848 8.065 1.00 1.00 H new ATOM 0 HA HIS A 76 0.154 10.045 6.879 1.00 1.00 H new ATOM 0 HB2 HIS A 76 1.360 7.723 5.407 1.00 1.00 H new ATOM 0 HB3 HIS A 76 0.739 9.231 4.768 1.00 1.00 H new ATOM 0 HD2 HIS A 76 3.837 7.533 5.881 1.00 1.00 H new ATOM 0 HE1 HIS A 76 5.038 11.578 5.629 1.00 1.00 H new ATOM 0 HE2 HIS A 76 5.838 9.124 5.885 1.00 1.00 H new ATOM 1144 N THR A 77 -1.154 7.608 5.787 1.00 1.00 N ATOM 1145 CA THR A 77 -2.330 6.760 5.693 1.00 1.00 C ATOM 1146 C THR A 77 -1.972 5.419 5.049 1.00 1.00 C ATOM 1147 O THR A 77 -1.775 5.341 3.838 1.00 1.00 O ATOM 1148 CB THR A 77 -3.408 7.532 4.929 1.00 1.00 C ATOM 1149 OG1 THR A 77 -3.413 8.819 5.540 1.00 1.00 O ATOM 1150 CG2 THR A 77 -4.814 6.989 5.192 1.00 1.00 C ATOM 0 H THR A 77 -0.662 7.754 4.906 1.00 1.00 H new ATOM 0 HA THR A 77 -2.721 6.516 6.681 1.00 1.00 H new ATOM 0 HB THR A 77 -3.196 7.489 3.861 1.00 1.00 H new ATOM 0 HG1 THR A 77 -4.083 9.386 5.104 1.00 1.00 H new ATOM 0 HG21 THR A 77 -5.541 7.572 4.626 1.00 1.00 H new ATOM 0 HG22 THR A 77 -4.865 5.945 4.881 1.00 1.00 H new ATOM 0 HG23 THR A 77 -5.039 7.062 6.256 1.00 1.00 H new ATOM 1158 N SER A 78 -1.898 4.398 5.889 1.00 1.00 N ATOM 1159 CA SER A 78 -1.566 3.064 5.418 1.00 1.00 C ATOM 1160 C SER A 78 -2.689 2.530 4.526 1.00 1.00 C ATOM 1161 O SER A 78 -3.783 3.090 4.498 1.00 1.00 O ATOM 1162 CB SER A 78 -1.320 2.111 6.589 1.00 1.00 C ATOM 1163 OG SER A 78 -1.493 2.756 7.848 1.00 1.00 O ATOM 0 H SER A 78 -2.062 4.467 6.893 1.00 1.00 H new ATOM 0 HA SER A 78 -0.646 3.126 4.836 1.00 1.00 H new ATOM 0 HB2 SER A 78 -2.004 1.265 6.518 1.00 1.00 H new ATOM 0 HB3 SER A 78 -0.309 1.709 6.523 1.00 1.00 H new ATOM 0 HG SER A 78 -2.009 2.175 8.445 1.00 1.00 H new ATOM 1169 N CYS A 79 -2.378 1.453 3.820 1.00 1.00 N ATOM 1170 CA CYS A 79 -3.348 0.837 2.929 1.00 1.00 C ATOM 1171 C CYS A 79 -4.541 0.371 3.766 1.00 1.00 C ATOM 1172 O CYS A 79 -5.641 0.905 3.636 1.00 1.00 O ATOM 1173 CB CYS A 79 -2.730 -0.310 2.127 1.00 1.00 C ATOM 1174 SG CYS A 79 -1.090 0.056 1.401 1.00 1.00 S ATOM 0 H CYS A 79 -1.469 0.991 3.846 1.00 1.00 H new ATOM 0 HA CYS A 79 -3.685 1.567 2.193 1.00 1.00 H new ATOM 0 HB2 CYS A 79 -2.638 -1.180 2.777 1.00 1.00 H new ATOM 0 HB3 CYS A 79 -3.414 -0.583 1.324 1.00 1.00 H new ATOM 0 HG CYS A 79 -0.663 -0.984 0.748 1.00 1.00 H new ATOM 1179 N LEU A 80 -4.282 -0.620 4.606 1.00 1.00 N ATOM 1180 CA LEU A 80 -5.321 -1.164 5.464 1.00 1.00 C ATOM 1181 C LEU A 80 -6.058 -0.016 6.156 1.00 1.00 C ATOM 1182 O LEU A 80 -7.201 -0.174 6.581 1.00 1.00 O ATOM 1183 CB LEU A 80 -4.732 -2.190 6.435 1.00 1.00 C ATOM 1184 CG LEU A 80 -4.864 -3.657 6.022 1.00 1.00 C ATOM 1185 CD1 LEU A 80 -6.251 -4.202 6.370 1.00 1.00 C ATOM 1186 CD2 LEU A 80 -4.531 -3.842 4.540 1.00 1.00 C ATOM 0 H LEU A 80 -3.368 -1.060 4.711 1.00 1.00 H new ATOM 0 HA LEU A 80 -6.058 -1.706 4.872 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -3.674 -1.966 6.572 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -5.213 -2.061 7.404 1.00 1.00 H new ATOM 0 HG LEU A 80 -4.138 -4.238 6.590 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -6.318 -5.247 6.066 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.413 -4.126 7.445 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -7.012 -3.622 5.847 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -4.633 -4.894 4.273 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -5.216 -3.246 3.936 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -3.507 -3.518 4.354 1.00 1.00 H new ATOM 1198 N ALA A 81 -5.373 1.115 6.247 1.00 1.00 N ATOM 1199 CA ALA A 81 -5.949 2.289 6.880 1.00 1.00 C ATOM 1200 C ALA A 81 -7.153 2.765 6.064 1.00 1.00 C ATOM 1201 O ALA A 81 -8.295 2.636 6.503 1.00 1.00 O ATOM 1202 CB ALA A 81 -4.876 3.371 7.021 1.00 1.00 C ATOM 0 H ALA A 81 -4.425 1.243 5.893 1.00 1.00 H new ATOM 0 HA ALA A 81 -6.304 2.049 7.882 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -5.308 4.252 7.496 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -4.057 2.994 7.633 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -4.498 3.639 6.034 1.00 1.00 H new ATOM 1208 N CYS A 82 -6.856 3.305 4.891 1.00 1.00 N ATOM 1209 CA CYS A 82 -7.900 3.800 4.010 1.00 1.00 C ATOM 1210 C CYS A 82 -8.956 2.704 3.853 1.00 1.00 C ATOM 1211 O CYS A 82 -10.127 2.907 4.168 1.00 1.00 O ATOM 1212 CB CYS A 82 -7.335 4.246 2.659 1.00 1.00 C ATOM 1213 SG CYS A 82 -8.687 4.852 1.585 1.00 1.00 S ATOM 0 H CYS A 82 -5.908 3.411 4.530 1.00 1.00 H new ATOM 0 HA CYS A 82 -8.360 4.686 4.448 1.00 1.00 H new ATOM 0 HB2 CYS A 82 -6.596 5.033 2.807 1.00 1.00 H new ATOM 0 HB3 CYS A 82 -6.822 3.414 2.177 1.00 1.00 H new ATOM 0 HG CYS A 82 -8.197 5.230 0.442 1.00 1.00 H new ATOM 1218 N HIS A 83 -8.503 1.551 3.360 1.00 1.00 N ATOM 1219 CA HIS A 83 -9.361 0.393 3.140 1.00 1.00 C ATOM 1220 C HIS A 83 -10.334 0.233 4.322 1.00 1.00 C ATOM 1221 O HIS A 83 -11.432 -0.295 4.153 1.00 1.00 O ATOM 1222 CB HIS A 83 -8.478 -0.837 2.877 1.00 1.00 C ATOM 1223 CG HIS A 83 -7.935 -0.997 1.476 1.00 1.00 C ATOM 1224 ND1 HIS A 83 -7.621 -2.188 0.957 1.00 1.00 N ATOM 1225 CD2 HIS A 83 -7.660 -0.069 0.499 1.00 1.00 C ATOM 1226 CE1 HIS A 83 -7.168 -2.010 -0.294 1.00 1.00 C ATOM 1227 NE2 HIS A 83 -7.171 -0.720 -0.627 1.00 1.00 N ATOM 0 H HIS A 83 -7.528 1.396 3.102 1.00 1.00 H new ATOM 0 HA HIS A 83 -9.988 0.523 2.258 1.00 1.00 H new ATOM 0 HB2 HIS A 83 -7.635 -0.804 3.567 1.00 1.00 H new ATOM 0 HB3 HIS A 83 -9.055 -1.729 3.122 1.00 1.00 H new ATOM 0 HD1 HIS A 83 -7.711 -3.085 1.434 1.00 1.00 H new ATOM 0 HD2 HIS A 83 -7.802 0.998 0.592 1.00 1.00 H new ATOM 0 HE1 HIS A 83 -6.844 -2.808 -0.945 1.00 1.00 H new ATOM 1235 N SER A 84 -9.895 0.697 5.483 1.00 1.00 N ATOM 1236 CA SER A 84 -10.714 0.611 6.681 1.00 1.00 C ATOM 1237 C SER A 84 -12.038 1.346 6.464 1.00 1.00 C ATOM 1238 O SER A 84 -13.102 0.825 6.792 1.00 1.00 O ATOM 1239 CB SER A 84 -9.979 1.187 7.893 1.00 1.00 C ATOM 1240 OG SER A 84 -10.462 0.643 9.118 1.00 1.00 O ATOM 0 H SER A 84 -8.983 1.134 5.620 1.00 1.00 H new ATOM 0 HA SER A 84 -10.919 -0.441 6.881 1.00 1.00 H new ATOM 0 HB2 SER A 84 -8.912 0.982 7.801 1.00 1.00 H new ATOM 0 HB3 SER A 84 -10.096 2.271 7.907 1.00 1.00 H new ATOM 0 HG SER A 84 -9.967 1.034 9.868 1.00 1.00 H new ATOM 1246 N LYS A 85 -11.928 2.546 5.912 1.00 1.00 N ATOM 1247 CA LYS A 85 -13.104 3.358 5.647 1.00 1.00 C ATOM 1248 C LYS A 85 -13.882 2.754 4.476 1.00 1.00 C ATOM 1249 O LYS A 85 -15.112 2.732 4.489 1.00 1.00 O ATOM 1250 CB LYS A 85 -12.708 4.820 5.434 1.00 1.00 C ATOM 1251 CG LYS A 85 -13.924 5.741 5.555 1.00 1.00 C ATOM 1252 CD LYS A 85 -13.578 7.166 5.120 1.00 1.00 C ATOM 1253 CE LYS A 85 -14.667 8.150 5.550 1.00 1.00 C ATOM 1254 NZ LYS A 85 -14.431 9.481 4.946 1.00 1.00 N ATOM 0 H LYS A 85 -11.043 2.975 5.641 1.00 1.00 H new ATOM 0 HA LYS A 85 -13.772 3.355 6.509 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -11.955 5.107 6.168 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -12.255 4.938 4.450 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -14.738 5.357 4.940 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -14.279 5.748 6.586 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -12.623 7.461 5.556 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -13.459 7.201 4.037 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -15.645 7.775 5.247 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -14.681 8.234 6.637 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -15.179 10.137 5.248 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -13.507 9.844 5.256 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -14.441 9.398 3.909 1.00 1.00 H new ATOM 1267 N VAL A 86 -13.134 2.279 3.492 1.00 1.00 N ATOM 1268 CA VAL A 86 -13.738 1.677 2.316 1.00 1.00 C ATOM 1269 C VAL A 86 -14.697 0.567 2.752 1.00 1.00 C ATOM 1270 O VAL A 86 -15.812 0.470 2.241 1.00 1.00 O ATOM 1271 CB VAL A 86 -12.648 1.184 1.362 1.00 1.00 C ATOM 1272 CG1 VAL A 86 -13.255 0.411 0.189 1.00 1.00 C ATOM 1273 CG2 VAL A 86 -11.787 2.347 0.865 1.00 1.00 C ATOM 0 H VAL A 86 -12.114 2.299 3.485 1.00 1.00 H new ATOM 0 HA VAL A 86 -14.323 2.415 1.767 1.00 1.00 H new ATOM 0 HB VAL A 86 -12.002 0.502 1.915 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -12.459 0.072 -0.474 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -13.805 -0.451 0.567 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -13.934 1.061 -0.363 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -11.020 1.969 0.189 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -12.415 3.065 0.337 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -11.312 2.837 1.715 1.00 1.00 H new ATOM 1283 N VAL A 87 -14.229 -0.241 3.691 1.00 1.00 N ATOM 1284 CA VAL A 87 -15.031 -1.339 4.202 1.00 1.00 C ATOM 1285 C VAL A 87 -16.373 -0.797 4.698 1.00 1.00 C ATOM 1286 O VAL A 87 -17.379 -1.505 4.675 1.00 1.00 O ATOM 1287 CB VAL A 87 -14.255 -2.096 5.283 1.00 1.00 C ATOM 1288 CG1 VAL A 87 -15.190 -2.978 6.112 1.00 1.00 C ATOM 1289 CG2 VAL A 87 -13.123 -2.921 4.668 1.00 1.00 C ATOM 0 H VAL A 87 -13.304 -0.157 4.112 1.00 1.00 H new ATOM 0 HA VAL A 87 -15.243 -2.057 3.410 1.00 1.00 H new ATOM 0 HB VAL A 87 -13.808 -1.361 5.952 1.00 1.00 H new ATOM 0 HG11 VAL A 87 -14.614 -3.505 6.873 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -15.944 -2.356 6.594 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -15.679 -3.703 5.461 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -12.587 -3.449 5.457 1.00 1.00 H new ATOM 0 HG22 VAL A 87 -13.539 -3.643 3.966 1.00 1.00 H new ATOM 0 HG23 VAL A 87 -12.435 -2.259 4.142 1.00 1.00 H new ATOM 1299 N ALA A 88 -16.345 0.453 5.135 1.00 1.00 N ATOM 1300 CA ALA A 88 -17.547 1.098 5.636 1.00 1.00 C ATOM 1301 C ALA A 88 -18.317 1.711 4.464 1.00 1.00 C ATOM 1302 O ALA A 88 -19.243 2.495 4.668 1.00 1.00 O ATOM 1303 CB ALA A 88 -17.166 2.138 6.692 1.00 1.00 C ATOM 0 H ALA A 88 -15.509 1.037 5.153 1.00 1.00 H new ATOM 0 HA ALA A 88 -18.202 0.371 6.116 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -18.067 2.622 7.068 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -16.647 1.647 7.516 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -16.511 2.887 6.246 1.00 1.00 H new ATOM 1437 N ASP A 96 -11.993 -8.657 1.019 1.00 1.00 N ATOM 1438 CA ASP A 96 -11.678 -8.209 -0.327 1.00 1.00 C ATOM 1439 C ASP A 96 -10.614 -7.111 -0.258 1.00 1.00 C ATOM 1440 O ASP A 96 -9.607 -7.173 -0.961 1.00 1.00 O ATOM 1441 CB ASP A 96 -12.913 -7.628 -1.017 1.00 1.00 C ATOM 1442 CG ASP A 96 -13.869 -8.664 -1.612 1.00 1.00 C ATOM 1443 OD1 ASP A 96 -13.575 -9.869 -1.628 1.00 1.00 O ATOM 1444 OD2 ASP A 96 -14.970 -8.184 -2.082 1.00 1.00 O ATOM 0 HA ASP A 96 -11.320 -9.068 -0.894 1.00 1.00 H new ATOM 0 HB2 ASP A 96 -13.461 -7.021 -0.296 1.00 1.00 H new ATOM 0 HB3 ASP A 96 -12.585 -6.959 -1.813 1.00 1.00 H new ATOM 1450 N LEU A 97 -10.875 -6.132 0.596 1.00 1.00 N ATOM 1451 CA LEU A 97 -9.953 -5.022 0.765 1.00 1.00 C ATOM 1452 C LEU A 97 -9.257 -5.146 2.122 1.00 1.00 C ATOM 1453 O LEU A 97 -8.303 -4.421 2.403 1.00 1.00 O ATOM 1454 CB LEU A 97 -10.676 -3.689 0.564 1.00 1.00 C ATOM 1455 CG LEU A 97 -11.426 -3.526 -0.760 1.00 1.00 C ATOM 1456 CD1 LEU A 97 -11.593 -2.048 -1.117 1.00 1.00 C ATOM 1457 CD2 LEU A 97 -10.740 -4.312 -1.879 1.00 1.00 C ATOM 0 H LEU A 97 -11.711 -6.085 1.178 1.00 1.00 H new ATOM 0 HA LEU A 97 -9.175 -5.053 0.003 1.00 1.00 H new ATOM 0 HB2 LEU A 97 -11.387 -3.557 1.380 1.00 1.00 H new ATOM 0 HB3 LEU A 97 -9.944 -2.885 0.646 1.00 1.00 H new ATOM 0 HG LEU A 97 -12.426 -3.943 -0.640 1.00 1.00 H new ATOM 0 HD11 LEU A 97 -12.129 -1.960 -2.062 1.00 1.00 H new ATOM 0 HD12 LEU A 97 -12.158 -1.546 -0.332 1.00 1.00 H new ATOM 0 HD13 LEU A 97 -10.612 -1.584 -1.212 1.00 1.00 H new ATOM 0 HD21 LEU A 97 -11.293 -4.179 -2.809 1.00 1.00 H new ATOM 0 HD22 LEU A 97 -9.721 -3.947 -2.008 1.00 1.00 H new ATOM 0 HD23 LEU A 97 -10.717 -5.370 -1.619 1.00 1.00 H new ATOM 1469 N THR A 98 -9.761 -6.068 2.928 1.00 1.00 N ATOM 1470 CA THR A 98 -9.200 -6.296 4.249 1.00 1.00 C ATOM 1471 C THR A 98 -9.162 -7.793 4.561 1.00 1.00 C ATOM 1472 O THR A 98 -9.414 -8.201 5.694 1.00 1.00 O ATOM 1473 CB THR A 98 -10.018 -5.486 5.256 1.00 1.00 C ATOM 1474 OG1 THR A 98 -11.177 -6.283 5.484 1.00 1.00 O ATOM 1475 CG2 THR A 98 -10.569 -4.191 4.656 1.00 1.00 C ATOM 0 H THR A 98 -10.552 -6.667 2.692 1.00 1.00 H new ATOM 0 HA THR A 98 -8.165 -5.959 4.303 1.00 1.00 H new ATOM 0 HB THR A 98 -9.398 -5.251 6.121 1.00 1.00 H new ATOM 0 HG1 THR A 98 -10.926 -7.093 5.975 1.00 1.00 H new ATOM 0 HG21 THR A 98 -11.142 -3.654 5.412 1.00 1.00 H new ATOM 0 HG22 THR A 98 -9.742 -3.567 4.316 1.00 1.00 H new ATOM 0 HG23 THR A 98 -11.216 -4.428 3.811 1.00 1.00 H new ATOM 1483 N GLY A 99 -8.844 -8.571 3.537 1.00 1.00 N ATOM 1484 CA GLY A 99 -8.769 -10.014 3.688 1.00 1.00 C ATOM 1485 C GLY A 99 -7.316 -10.481 3.789 1.00 1.00 C ATOM 1486 O GLY A 99 -6.490 -10.138 2.944 1.00 1.00 O ATOM 0 H GLY A 99 -8.635 -8.229 2.599 1.00 1.00 H new ATOM 0 HA2 GLY A 99 -9.315 -10.318 4.581 1.00 1.00 H new ATOM 0 HA3 GLY A 99 -9.252 -10.497 2.839 1.00 1.00 H new ATOM 1490 N CYS A 100 -7.047 -11.255 4.830 1.00 1.00 N ATOM 1491 CA CYS A 100 -5.707 -11.772 5.052 1.00 1.00 C ATOM 1492 C CYS A 100 -5.411 -12.817 3.975 1.00 1.00 C ATOM 1493 O CYS A 100 -4.260 -12.999 3.581 1.00 1.00 O ATOM 1494 CB CYS A 100 -5.549 -12.344 6.462 1.00 1.00 C ATOM 1495 SG CYS A 100 -5.792 -11.134 7.813 1.00 1.00 S ATOM 0 H CYS A 100 -7.734 -11.537 5.529 1.00 1.00 H new ATOM 0 HA CYS A 100 -4.983 -10.960 4.977 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -6.262 -13.159 6.590 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -4.552 -12.775 6.554 1.00 1.00 H new ATOM 0 HG CYS A 100 -5.637 -11.727 8.960 1.00 1.00 H new ATOM 1500 N ALA A 101 -6.470 -13.477 3.528 1.00 1.00 N ATOM 1501 CA ALA A 101 -6.337 -14.499 2.504 1.00 1.00 C ATOM 1502 C ALA A 101 -7.582 -14.489 1.615 1.00 1.00 C ATOM 1503 O ALA A 101 -8.572 -13.832 1.935 1.00 1.00 O ATOM 1504 CB ALA A 101 -6.105 -15.859 3.167 1.00 1.00 C ATOM 0 H ALA A 101 -7.423 -13.324 3.856 1.00 1.00 H new ATOM 0 HA ALA A 101 -5.476 -14.295 1.868 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -6.005 -16.626 2.399 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -5.194 -15.822 3.764 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -6.951 -16.099 3.811 1.00 1.00 H new ATOM 1510 N LYS A 102 -7.492 -15.224 0.517 1.00 1.00 N ATOM 1511 CA LYS A 102 -8.599 -15.308 -0.421 1.00 1.00 C ATOM 1512 C LYS A 102 -9.161 -13.906 -0.666 1.00 1.00 C ATOM 1513 O LYS A 102 -10.370 -13.694 -0.586 1.00 1.00 O ATOM 1514 CB LYS A 102 -9.644 -16.311 0.072 1.00 1.00 C ATOM 1515 CG LYS A 102 -9.159 -17.749 -0.125 1.00 1.00 C ATOM 1516 CD LYS A 102 -10.282 -18.749 0.158 1.00 1.00 C ATOM 1517 CE LYS A 102 -9.972 -20.112 -0.465 1.00 1.00 C ATOM 1518 NZ LYS A 102 -10.509 -21.202 0.378 1.00 1.00 N ATOM 0 H LYS A 102 -6.669 -15.767 0.255 1.00 1.00 H new ATOM 0 HA LYS A 102 -8.255 -15.688 -1.383 1.00 1.00 H new ATOM 0 HB2 LYS A 102 -9.853 -16.135 1.127 1.00 1.00 H new ATOM 0 HB3 LYS A 102 -10.579 -16.162 -0.467 1.00 1.00 H new ATOM 0 HG2 LYS A 102 -8.800 -17.879 -1.146 1.00 1.00 H new ATOM 0 HG3 LYS A 102 -8.316 -17.946 0.537 1.00 1.00 H new ATOM 0 HD2 LYS A 102 -10.414 -18.859 1.234 1.00 1.00 H new ATOM 0 HD3 LYS A 102 -11.222 -18.368 -0.241 1.00 1.00 H new ATOM 0 HE2 LYS A 102 -10.406 -20.169 -1.463 1.00 1.00 H new ATOM 0 HE3 LYS A 102 -8.894 -20.230 -0.579 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 -10.290 -22.120 -0.060 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 -10.076 -21.156 1.322 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 -11.540 -21.098 0.465 1.00 1.00 H new ATOM 1531 N SER A 103 -8.256 -12.984 -0.962 1.00 1.00 N ATOM 1532 CA SER A 103 -8.646 -11.608 -1.220 1.00 1.00 C ATOM 1533 C SER A 103 -7.971 -11.104 -2.497 1.00 1.00 C ATOM 1534 O SER A 103 -7.423 -11.892 -3.266 1.00 1.00 O ATOM 1535 CB SER A 103 -8.290 -10.704 -0.038 1.00 1.00 C ATOM 1536 OG SER A 103 -6.918 -10.318 -0.056 1.00 1.00 O ATOM 0 H SER A 103 -7.254 -13.163 -1.029 1.00 1.00 H new ATOM 0 HA SER A 103 -9.728 -11.578 -1.352 1.00 1.00 H new ATOM 0 HB2 SER A 103 -8.918 -9.813 -0.061 1.00 1.00 H new ATOM 0 HB3 SER A 103 -8.508 -11.224 0.895 1.00 1.00 H new ATOM 0 HG SER A 103 -6.601 -10.192 0.863 1.00 1.00 H new ATOM 1542 N LYS A 104 -8.033 -9.793 -2.683 1.00 1.00 N ATOM 1543 CA LYS A 104 -7.435 -9.175 -3.853 1.00 1.00 C ATOM 1544 C LYS A 104 -5.972 -8.840 -3.556 1.00 1.00 C ATOM 1545 O LYS A 104 -5.281 -8.263 -4.394 1.00 1.00 O ATOM 1546 CB LYS A 104 -8.262 -7.969 -4.304 1.00 1.00 C ATOM 1547 CG LYS A 104 -9.748 -8.181 -4.006 1.00 1.00 C ATOM 1548 CD LYS A 104 -10.618 -7.627 -5.136 1.00 1.00 C ATOM 1549 CE LYS A 104 -10.789 -8.659 -6.253 1.00 1.00 C ATOM 1550 NZ LYS A 104 -10.168 -8.174 -7.506 1.00 1.00 N ATOM 0 H LYS A 104 -8.488 -9.143 -2.043 1.00 1.00 H new ATOM 0 HA LYS A 104 -7.440 -9.868 -4.694 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -7.910 -7.071 -3.796 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -8.121 -7.806 -5.373 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -9.948 -9.244 -3.876 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -10.008 -7.691 -3.068 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -11.595 -7.346 -4.743 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -10.164 -6.722 -5.539 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -10.333 -9.604 -5.956 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -11.849 -8.854 -6.417 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -10.293 -8.886 -8.254 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -10.621 -7.284 -7.796 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -9.153 -8.011 -7.350 1.00 1.00 H new ATOM 1563 N CYS A 105 -5.542 -9.218 -2.361 1.00 1.00 N ATOM 1564 CA CYS A 105 -4.174 -8.965 -1.943 1.00 1.00 C ATOM 1565 C CYS A 105 -3.489 -10.312 -1.701 1.00 1.00 C ATOM 1566 O CYS A 105 -2.428 -10.589 -2.256 1.00 1.00 O ATOM 1567 CB CYS A 105 -4.117 -8.065 -0.707 1.00 1.00 C ATOM 1568 SG CYS A 105 -3.609 -6.374 -1.188 1.00 1.00 S ATOM 0 H CYS A 105 -6.117 -9.698 -1.669 1.00 1.00 H new ATOM 0 HA CYS A 105 -3.645 -8.425 -2.728 1.00 1.00 H new ATOM 0 HB2 CYS A 105 -5.093 -8.037 -0.222 1.00 1.00 H new ATOM 0 HB3 CYS A 105 -3.413 -8.473 0.018 1.00 1.00 H new ATOM 0 HG CYS A 105 -3.566 -5.617 -0.132 1.00 1.00 H new ATOM 1573 N HIS A 106 -4.130 -11.127 -0.862 1.00 1.00 N ATOM 1574 CA HIS A 106 -3.631 -12.451 -0.509 1.00 1.00 C ATOM 1575 C HIS A 106 -4.604 -13.528 -1.023 1.00 1.00 C ATOM 1576 O HIS A 106 -5.442 -14.046 -0.288 1.00 1.00 O ATOM 1577 CB HIS A 106 -3.378 -12.499 1.005 1.00 1.00 C ATOM 1578 CG HIS A 106 -2.307 -11.580 1.544 1.00 1.00 C ATOM 1579 ND1 HIS A 106 -1.040 -11.622 1.119 1.00 1.00 N ATOM 1580 CD2 HIS A 106 -2.358 -10.587 2.494 1.00 1.00 C ATOM 1581 CE1 HIS A 106 -0.330 -10.693 1.777 1.00 1.00 C ATOM 1582 NE2 HIS A 106 -1.096 -10.024 2.639 1.00 1.00 N ATOM 0 H HIS A 106 -5.011 -10.884 -0.409 1.00 1.00 H new ATOM 0 HA HIS A 106 -2.677 -12.660 -0.992 1.00 1.00 H new ATOM 0 HB2 HIS A 106 -4.313 -12.266 1.514 1.00 1.00 H new ATOM 0 HB3 HIS A 106 -3.115 -13.522 1.274 1.00 1.00 H new ATOM 0 HD2 HIS A 106 -3.241 -10.291 3.042 1.00 1.00 H new ATOM 0 HE1 HIS A 106 0.724 -10.511 1.628 1.00 1.00 H new ATOM 0 HE2 HIS A 106 -0.818 -9.268 3.265 1.00 1.00 H new ATOM 1590 N PRO A 107 -4.470 -13.852 -2.311 1.00 1.00 N ATOM 1591 CA PRO A 107 -5.278 -14.839 -2.993 1.00 1.00 C ATOM 1592 C PRO A 107 -5.304 -16.126 -2.181 1.00 1.00 C ATOM 1593 O PRO A 107 -4.650 -16.223 -1.145 1.00 1.00 O ATOM 1594 CB PRO A 107 -4.585 -15.053 -4.336 1.00 1.00 C ATOM 1595 CG PRO A 107 -3.850 -13.804 -4.587 1.00 1.00 C ATOM 1596 CD PRO A 107 -3.496 -13.262 -3.204 1.00 1.00 C ATOM 0 HA PRO A 107 -6.313 -14.523 -3.123 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -3.910 -15.908 -4.300 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -5.309 -15.251 -5.127 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -2.953 -13.987 -5.179 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -4.460 -13.093 -5.144 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -2.481 -13.539 -2.919 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -3.548 -12.173 -3.181 1.00 1.00 H new