USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 493 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 NoAdj-H: A 28 HIS HD1 : A 28 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 23 MET CE :methyl 154:sc= -0.033 (180deg=0) USER MOD Set 1.2: A 53 HIS : no HD1:sc= -2.15 K(o=-2.2,f=-4.9!) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0709 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.0857 X(o=-0.086,f=-0.14) USER MOD Single : A 10 GLN :FLIP amide:sc= -0.0783 F(o=-0.92,f=-0.078) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0703 X(o=-0.07,f=-0.032) USER MOD Single : A 25 ASN : amide:sc= -2.69! C(o=-2.7!,f=-2.7!) USER MOD Single : A 26 SER OG : rot 180:sc= -9.21! USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 48 LYS NZ :NH3+ -133:sc= -0.0981 (180deg=-0.538) USER MOD Single : A 49 ASN : amide:sc= -0.179 K(o=-0.18,f=-2!) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -1.97 F(o=-4.4!,f=-2) USER MOD Single : A 60 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.4) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.197 -15.546 -4.687 1.00 0.00 N ATOM 2 CA GLY A 1 -27.301 -15.372 -5.815 1.00 0.00 C ATOM 3 C GLY A 1 -26.061 -14.579 -5.453 1.00 0.00 C ATOM 4 O GLY A 1 -25.784 -14.348 -4.276 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.387 -16.559 -4.548 1.00 0.00 H new ATOM 0 H2 GLY A 1 -27.756 -15.155 -3.830 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.091 -15.048 -4.874 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.005 -16.350 -6.194 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.831 -14.864 -6.621 1.00 0.00 H new ATOM 8 N SER A 2 -25.310 -14.163 -6.468 1.00 0.00 N ATOM 9 CA SER A 2 -24.088 -13.397 -6.251 1.00 0.00 C ATOM 10 C SER A 2 -24.394 -11.905 -6.149 1.00 0.00 C ATOM 11 O SER A 2 -24.601 -11.232 -7.158 1.00 0.00 O ATOM 12 CB SER A 2 -23.094 -13.648 -7.387 1.00 0.00 C ATOM 13 OG SER A 2 -21.777 -13.299 -6.999 1.00 0.00 O ATOM 0 H SER A 2 -25.526 -14.343 -7.448 1.00 0.00 H new ATOM 0 HA SER A 2 -23.645 -13.726 -5.311 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.125 -14.699 -7.676 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.384 -13.068 -8.263 1.00 0.00 H new ATOM 0 HG SER A 2 -21.161 -13.470 -7.742 1.00 0.00 H new ATOM 19 N SER A 3 -24.420 -11.396 -4.921 1.00 0.00 N ATOM 20 CA SER A 3 -24.704 -9.986 -4.684 1.00 0.00 C ATOM 21 C SER A 3 -23.573 -9.328 -3.900 1.00 0.00 C ATOM 22 O SER A 3 -23.348 -9.642 -2.732 1.00 0.00 O ATOM 23 CB SER A 3 -26.024 -9.829 -3.927 1.00 0.00 C ATOM 24 OG SER A 3 -27.075 -10.511 -4.588 1.00 0.00 O ATOM 0 H SER A 3 -24.248 -11.939 -4.075 1.00 0.00 H new ATOM 0 HA SER A 3 -24.788 -9.491 -5.651 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.915 -10.217 -2.914 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.272 -8.771 -3.838 1.00 0.00 H new ATOM 0 HG SER A 3 -27.907 -10.397 -4.083 1.00 0.00 H new ATOM 30 N GLY A 4 -22.862 -8.412 -4.552 1.00 0.00 N ATOM 31 CA GLY A 4 -21.763 -7.724 -3.901 1.00 0.00 C ATOM 32 C GLY A 4 -21.596 -6.301 -4.395 1.00 0.00 C ATOM 33 O GLY A 4 -21.796 -6.019 -5.577 1.00 0.00 O ATOM 0 H GLY A 4 -23.028 -8.135 -5.519 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.932 -7.714 -2.824 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.839 -8.276 -4.074 1.00 0.00 H new ATOM 37 N SER A 5 -21.230 -5.401 -3.489 1.00 0.00 N ATOM 38 CA SER A 5 -21.041 -3.997 -3.837 1.00 0.00 C ATOM 39 C SER A 5 -19.557 -3.649 -3.904 1.00 0.00 C ATOM 40 O SER A 5 -18.698 -4.501 -3.682 1.00 0.00 O ATOM 41 CB SER A 5 -21.743 -3.098 -2.818 1.00 0.00 C ATOM 42 OG SER A 5 -23.148 -3.275 -2.864 1.00 0.00 O ATOM 0 H SER A 5 -21.058 -5.619 -2.507 1.00 0.00 H new ATOM 0 HA SER A 5 -21.480 -3.830 -4.821 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.378 -3.324 -1.816 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.498 -2.055 -3.019 1.00 0.00 H new ATOM 0 HG SER A 5 -23.573 -2.691 -2.202 1.00 0.00 H new ATOM 48 N SER A 6 -19.266 -2.389 -4.212 1.00 0.00 N ATOM 49 CA SER A 6 -17.886 -1.926 -4.312 1.00 0.00 C ATOM 50 C SER A 6 -17.585 -0.881 -3.242 1.00 0.00 C ATOM 51 O SER A 6 -17.885 0.300 -3.410 1.00 0.00 O ATOM 52 CB SER A 6 -17.621 -1.342 -5.701 1.00 0.00 C ATOM 53 OG SER A 6 -17.663 -2.351 -6.695 1.00 0.00 O ATOM 0 H SER A 6 -19.966 -1.671 -4.397 1.00 0.00 H new ATOM 0 HA SER A 6 -17.229 -2.781 -4.154 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.363 -0.576 -5.924 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.646 -0.855 -5.714 1.00 0.00 H new ATOM 0 HG SER A 6 -17.492 -1.952 -7.574 1.00 0.00 H new ATOM 59 N GLY A 7 -16.988 -1.326 -2.140 1.00 0.00 N ATOM 60 CA GLY A 7 -16.656 -0.418 -1.058 1.00 0.00 C ATOM 61 C GLY A 7 -15.194 -0.497 -0.664 1.00 0.00 C ATOM 62 O GLY A 7 -14.538 -1.516 -0.882 1.00 0.00 O ATOM 0 H GLY A 7 -16.729 -2.299 -1.978 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.894 0.603 -1.358 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.276 -0.648 -0.191 1.00 0.00 H new ATOM 66 N CYS A 8 -14.681 0.583 -0.084 1.00 0.00 N ATOM 67 CA CYS A 8 -13.287 0.634 0.340 1.00 0.00 C ATOM 68 C CYS A 8 -13.021 -0.369 1.458 1.00 0.00 C ATOM 69 O CYS A 8 -13.868 -0.587 2.326 1.00 0.00 O ATOM 70 CB CYS A 8 -12.926 2.045 0.809 1.00 0.00 C ATOM 71 SG CYS A 8 -11.332 2.152 1.684 1.00 0.00 S ATOM 0 H CYS A 8 -15.210 1.435 0.103 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.664 0.372 -0.515 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -12.899 2.708 -0.056 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -13.715 2.411 1.467 1.00 0.00 H new ATOM 76 N HIS A 9 -11.840 -0.978 1.432 1.00 0.00 N ATOM 77 CA HIS A 9 -11.462 -1.958 2.444 1.00 0.00 C ATOM 78 C HIS A 9 -10.713 -1.290 3.594 1.00 0.00 C ATOM 79 O HIS A 9 -10.869 -1.673 4.753 1.00 0.00 O ATOM 80 CB HIS A 9 -10.594 -3.054 1.824 1.00 0.00 C ATOM 81 CG HIS A 9 -10.545 -4.310 2.638 1.00 0.00 C ATOM 82 ND1 HIS A 9 -11.675 -4.952 3.101 1.00 0.00 N ATOM 83 CD2 HIS A 9 -9.493 -5.045 3.069 1.00 0.00 C ATOM 84 CE1 HIS A 9 -11.320 -6.026 3.783 1.00 0.00 C ATOM 85 NE2 HIS A 9 -10.001 -6.106 3.778 1.00 0.00 N ATOM 0 H HIS A 9 -11.128 -0.810 0.721 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.374 -2.406 2.839 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -10.975 -3.289 0.830 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -9.580 -2.674 1.695 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -8.449 -4.836 2.889 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -11.993 -6.721 4.263 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -9.450 -6.837 4.228 1.00 0.00 H new ATOM 94 N GLN A 10 -9.901 -0.291 3.264 1.00 0.00 N ATOM 95 CA GLN A 10 -9.128 0.428 4.270 1.00 0.00 C ATOM 96 C GLN A 10 -10.028 0.922 5.398 1.00 0.00 C ATOM 97 O GLN A 10 -10.009 0.382 6.504 1.00 0.00 O ATOM 98 CB GLN A 10 -8.395 1.609 3.632 1.00 0.00 C ATOM 99 CG GLN A 10 -7.621 2.456 4.629 1.00 0.00 C ATOM 100 CD GLN A 10 -6.352 1.779 5.108 1.00 0.00 C ATOM 101 OE1 GLN A 10 -6.504 0.751 5.935 1.00 0.00 O flip ATOM 102 NE2 GLN A 10 -5.246 2.175 4.740 1.00 0.00 N flip ATOM 0 H GLN A 10 -9.761 0.039 2.309 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.395 -0.261 4.690 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.706 1.232 2.876 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.119 2.240 3.117 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.367 3.411 4.169 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.258 2.674 5.486 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.174 2.969 4.104 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.401 1.709 5.072 1.00 0.00 H new ATOM 111 N CYS A 11 -10.816 1.953 5.110 1.00 0.00 N ATOM 112 CA CYS A 11 -11.724 2.522 6.099 1.00 0.00 C ATOM 113 C CYS A 11 -13.041 1.752 6.135 1.00 0.00 C ATOM 114 O CYS A 11 -13.571 1.458 7.206 1.00 0.00 O ATOM 115 CB CYS A 11 -11.990 3.996 5.789 1.00 0.00 C ATOM 116 SG CYS A 11 -12.867 4.279 4.218 1.00 0.00 S ATOM 0 H CYS A 11 -10.844 2.412 4.199 1.00 0.00 H new ATOM 0 HA CYS A 11 -11.251 2.443 7.078 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -12.574 4.427 6.602 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -11.039 4.528 5.763 1.00 0.00 H new ATOM 121 N GLY A 12 -13.563 1.428 4.957 1.00 0.00 N ATOM 122 CA GLY A 12 -14.814 0.696 4.875 1.00 0.00 C ATOM 123 C GLY A 12 -15.899 1.479 4.164 1.00 0.00 C ATOM 124 O GLY A 12 -16.738 0.902 3.473 1.00 0.00 O ATOM 0 H GLY A 12 -13.142 1.659 4.057 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.647 -0.245 4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.151 0.445 5.881 1.00 0.00 H new ATOM 128 N GLU A 13 -15.885 2.797 4.336 1.00 0.00 N ATOM 129 CA GLU A 13 -16.878 3.660 3.707 1.00 0.00 C ATOM 130 C GLU A 13 -17.029 3.325 2.225 1.00 0.00 C ATOM 131 O GLU A 13 -16.080 2.882 1.578 1.00 0.00 O ATOM 132 CB GLU A 13 -16.487 5.130 3.872 1.00 0.00 C ATOM 133 CG GLU A 13 -16.298 5.550 5.319 1.00 0.00 C ATOM 134 CD GLU A 13 -17.605 5.908 5.999 1.00 0.00 C ATOM 135 OE1 GLU A 13 -18.252 4.997 6.557 1.00 0.00 O ATOM 136 OE2 GLU A 13 -17.981 7.099 5.973 1.00 0.00 O ATOM 0 H GLU A 13 -15.197 3.290 4.905 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.835 3.489 4.200 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.563 5.315 3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.256 5.755 3.418 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.817 4.741 5.868 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.625 6.407 5.360 1.00 0.00 H new ATOM 143 N PHE A 14 -18.228 3.540 1.696 1.00 0.00 N ATOM 144 CA PHE A 14 -18.505 3.261 0.291 1.00 0.00 C ATOM 145 C PHE A 14 -17.794 4.263 -0.613 1.00 0.00 C ATOM 146 O PHE A 14 -17.836 5.470 -0.374 1.00 0.00 O ATOM 147 CB PHE A 14 -20.012 3.300 0.029 1.00 0.00 C ATOM 148 CG PHE A 14 -20.401 2.756 -1.316 1.00 0.00 C ATOM 149 CD1 PHE A 14 -20.128 1.439 -1.650 1.00 0.00 C ATOM 150 CD2 PHE A 14 -21.039 3.560 -2.246 1.00 0.00 C ATOM 151 CE1 PHE A 14 -20.484 0.935 -2.886 1.00 0.00 C ATOM 152 CE2 PHE A 14 -21.398 3.062 -3.484 1.00 0.00 C ATOM 153 CZ PHE A 14 -21.121 1.747 -3.804 1.00 0.00 C ATOM 0 H PHE A 14 -19.024 3.906 2.218 1.00 0.00 H new ATOM 0 HA PHE A 14 -18.129 2.263 0.064 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -20.522 2.729 0.804 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.360 4.330 0.110 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -19.631 0.799 -0.936 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -21.259 4.589 -2.001 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -20.264 -0.093 -3.134 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -21.894 3.700 -4.200 1.00 0.00 H new ATOM 0 HZ PHE A 14 -21.402 1.355 -4.770 1.00 0.00 H new ATOM 163 N ILE A 15 -17.140 3.753 -1.652 1.00 0.00 N ATOM 164 CA ILE A 15 -16.420 4.602 -2.592 1.00 0.00 C ATOM 165 C ILE A 15 -17.347 5.120 -3.687 1.00 0.00 C ATOM 166 O ILE A 15 -18.077 4.349 -4.311 1.00 0.00 O ATOM 167 CB ILE A 15 -15.244 3.850 -3.244 1.00 0.00 C ATOM 168 CG1 ILE A 15 -14.473 3.053 -2.189 1.00 0.00 C ATOM 169 CG2 ILE A 15 -14.321 4.826 -3.958 1.00 0.00 C ATOM 170 CD1 ILE A 15 -13.532 2.026 -2.778 1.00 0.00 C ATOM 0 H ILE A 15 -17.094 2.756 -1.863 1.00 0.00 H new ATOM 0 HA ILE A 15 -16.030 5.444 -2.021 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.642 3.152 -3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.902 3.744 -1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -15.184 2.549 -1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.495 4.279 -4.413 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -14.878 5.353 -4.733 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -13.927 5.546 -3.240 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.019 1.499 -1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -14.100 1.313 -3.375 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.798 2.525 -3.410 1.00 0.00 H new ATOM 182 N ILE A 16 -17.311 6.428 -3.915 1.00 0.00 N ATOM 183 CA ILE A 16 -18.146 7.048 -4.937 1.00 0.00 C ATOM 184 C ILE A 16 -17.346 8.041 -5.772 1.00 0.00 C ATOM 185 O ILE A 16 -16.809 9.017 -5.250 1.00 0.00 O ATOM 186 CB ILE A 16 -19.353 7.774 -4.313 1.00 0.00 C ATOM 187 CG1 ILE A 16 -20.024 6.886 -3.264 1.00 0.00 C ATOM 188 CG2 ILE A 16 -20.347 8.172 -5.393 1.00 0.00 C ATOM 189 CD1 ILE A 16 -21.093 7.597 -2.465 1.00 0.00 C ATOM 0 H ILE A 16 -16.713 7.079 -3.406 1.00 0.00 H new ATOM 0 HA ILE A 16 -18.507 6.245 -5.579 1.00 0.00 H new ATOM 0 HB ILE A 16 -18.999 8.680 -3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -20.467 6.022 -3.760 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -19.264 6.506 -2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -21.194 8.684 -4.937 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -19.862 8.838 -6.106 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -20.698 7.280 -5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -21.525 6.907 -1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -20.652 8.444 -1.940 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -21.873 7.953 -3.137 1.00 0.00 H new ATOM 201 N GLY A 17 -17.271 7.785 -7.075 1.00 0.00 N ATOM 202 CA GLY A 17 -16.536 8.666 -7.963 1.00 0.00 C ATOM 203 C GLY A 17 -15.239 8.050 -8.449 1.00 0.00 C ATOM 204 O GLY A 17 -15.119 7.681 -9.618 1.00 0.00 O ATOM 0 H GLY A 17 -17.706 6.983 -7.531 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.160 8.915 -8.821 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -16.319 9.600 -7.445 1.00 0.00 H new ATOM 208 N ARG A 18 -14.266 7.938 -7.551 1.00 0.00 N ATOM 209 CA ARG A 18 -12.971 7.365 -7.895 1.00 0.00 C ATOM 210 C ARG A 18 -12.697 6.108 -7.074 1.00 0.00 C ATOM 211 O ARG A 18 -12.456 6.182 -5.869 1.00 0.00 O ATOM 212 CB ARG A 18 -11.858 8.390 -7.666 1.00 0.00 C ATOM 213 CG ARG A 18 -10.471 7.774 -7.587 1.00 0.00 C ATOM 214 CD ARG A 18 -9.386 8.815 -7.817 1.00 0.00 C ATOM 215 NE ARG A 18 -8.107 8.204 -8.169 1.00 0.00 N ATOM 216 CZ ARG A 18 -7.781 7.842 -9.405 1.00 0.00 C ATOM 217 NH1 ARG A 18 -8.636 8.029 -10.401 1.00 0.00 N ATOM 218 NH2 ARG A 18 -6.598 7.292 -9.647 1.00 0.00 N ATOM 0 H ARG A 18 -14.350 8.237 -6.579 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.992 7.092 -8.950 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.876 9.121 -8.475 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.059 8.932 -6.742 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.332 7.312 -6.610 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.380 6.982 -8.330 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.696 9.492 -8.613 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.265 9.417 -6.916 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.427 8.047 -7.425 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.546 8.452 -10.219 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.383 7.750 -11.349 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.937 7.147 -8.884 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.349 7.015 -10.596 1.00 0.00 H new ATOM 232 N VAL A 19 -12.737 4.955 -7.735 1.00 0.00 N ATOM 233 CA VAL A 19 -12.492 3.683 -7.067 1.00 0.00 C ATOM 234 C VAL A 19 -11.123 3.122 -7.435 1.00 0.00 C ATOM 235 O VAL A 19 -10.798 2.976 -8.614 1.00 0.00 O ATOM 236 CB VAL A 19 -13.573 2.645 -7.424 1.00 0.00 C ATOM 237 CG1 VAL A 19 -13.039 1.233 -7.237 1.00 0.00 C ATOM 238 CG2 VAL A 19 -14.822 2.867 -6.584 1.00 0.00 C ATOM 0 H VAL A 19 -12.937 4.876 -8.732 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.524 3.877 -5.995 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.841 2.771 -8.473 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.816 0.513 -7.494 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.176 1.082 -7.885 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.742 1.091 -6.198 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -15.575 2.125 -6.849 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -14.572 2.769 -5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -15.215 3.866 -6.773 1.00 0.00 H new ATOM 248 N ILE A 20 -10.325 2.809 -6.420 1.00 0.00 N ATOM 249 CA ILE A 20 -8.991 2.263 -6.638 1.00 0.00 C ATOM 250 C ILE A 20 -8.985 0.747 -6.474 1.00 0.00 C ATOM 251 O ILE A 20 -9.180 0.230 -5.374 1.00 0.00 O ATOM 252 CB ILE A 20 -7.966 2.878 -5.668 1.00 0.00 C ATOM 253 CG1 ILE A 20 -8.151 4.395 -5.589 1.00 0.00 C ATOM 254 CG2 ILE A 20 -6.550 2.535 -6.106 1.00 0.00 C ATOM 255 CD1 ILE A 20 -7.839 5.110 -6.885 1.00 0.00 C ATOM 0 H ILE A 20 -10.579 2.924 -5.439 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.709 2.517 -7.660 1.00 0.00 H new ATOM 0 HB ILE A 20 -8.131 2.458 -4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.180 4.613 -5.302 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.509 4.791 -4.802 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.837 2.977 -5.410 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.424 1.452 -6.116 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.373 2.930 -7.106 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.992 6.181 -6.755 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.802 4.922 -7.164 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.498 4.742 -7.671 1.00 0.00 H new ATOM 267 N LYS A 21 -8.757 0.039 -7.575 1.00 0.00 N ATOM 268 CA LYS A 21 -8.721 -1.418 -7.554 1.00 0.00 C ATOM 269 C LYS A 21 -7.327 -1.923 -7.196 1.00 0.00 C ATOM 270 O LYS A 21 -6.355 -1.635 -7.893 1.00 0.00 O ATOM 271 CB LYS A 21 -9.145 -1.979 -8.913 1.00 0.00 C ATOM 272 CG LYS A 21 -10.640 -1.900 -9.165 1.00 0.00 C ATOM 273 CD LYS A 21 -11.366 -3.110 -8.601 1.00 0.00 C ATOM 274 CE LYS A 21 -12.805 -2.778 -8.238 1.00 0.00 C ATOM 275 NZ LYS A 21 -13.729 -2.982 -9.388 1.00 0.00 N ATOM 0 H LYS A 21 -8.594 0.451 -8.494 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.420 -1.763 -6.792 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.623 -1.434 -9.700 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.828 -3.020 -8.982 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.039 -0.992 -8.712 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.826 -1.830 -10.237 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.351 -3.918 -9.333 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.841 -3.471 -7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.122 -3.402 -7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.865 -1.742 -7.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.700 -2.745 -9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.442 -2.368 -10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.691 -3.976 -9.692 1.00 0.00 H new ATOM 289 N ALA A 22 -7.238 -2.679 -6.106 1.00 0.00 N ATOM 290 CA ALA A 22 -5.963 -3.226 -5.658 1.00 0.00 C ATOM 291 C ALA A 22 -6.174 -4.410 -4.720 1.00 0.00 C ATOM 292 O ALA A 22 -7.263 -4.599 -4.179 1.00 0.00 O ATOM 293 CB ALA A 22 -5.137 -2.148 -4.974 1.00 0.00 C ATOM 0 H ALA A 22 -8.033 -2.926 -5.517 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.420 -3.582 -6.534 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.188 -2.571 -4.645 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.948 -1.335 -5.675 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.682 -1.765 -4.111 1.00 0.00 H new ATOM 299 N MET A 23 -5.125 -5.204 -4.532 1.00 0.00 N ATOM 300 CA MET A 23 -5.195 -6.369 -3.658 1.00 0.00 C ATOM 301 C MET A 23 -6.510 -7.117 -3.854 1.00 0.00 C ATOM 302 O MET A 23 -7.012 -7.760 -2.934 1.00 0.00 O ATOM 303 CB MET A 23 -5.050 -5.945 -2.195 1.00 0.00 C ATOM 304 CG MET A 23 -3.832 -5.075 -1.932 1.00 0.00 C ATOM 305 SD MET A 23 -2.285 -5.901 -2.352 1.00 0.00 S ATOM 306 CE MET A 23 -1.553 -6.094 -0.729 1.00 0.00 C ATOM 0 H MET A 23 -4.216 -5.062 -4.973 1.00 0.00 H new ATOM 0 HA MET A 23 -4.374 -7.037 -3.918 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.946 -5.403 -1.892 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.991 -6.837 -1.571 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.916 -4.154 -2.510 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.814 -4.791 -0.880 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.872 -6.945 -0.736 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.002 -5.190 -0.469 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.339 -6.264 0.007 1.00 0.00 H new ATOM 316 N ASN A 24 -7.062 -7.027 -5.060 1.00 0.00 N ATOM 317 CA ASN A 24 -8.320 -7.695 -5.376 1.00 0.00 C ATOM 318 C ASN A 24 -9.474 -7.085 -4.586 1.00 0.00 C ATOM 319 O ASN A 24 -10.333 -7.800 -4.072 1.00 0.00 O ATOM 320 CB ASN A 24 -8.216 -9.192 -5.076 1.00 0.00 C ATOM 321 CG ASN A 24 -9.201 -10.014 -5.884 1.00 0.00 C ATOM 322 OD1 ASN A 24 -8.906 -10.431 -7.004 1.00 0.00 O ATOM 323 ND2 ASN A 24 -10.379 -10.249 -5.318 1.00 0.00 N ATOM 0 H ASN A 24 -6.659 -6.499 -5.834 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.519 -7.557 -6.439 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -7.203 -9.533 -5.288 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.393 -9.360 -4.014 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.083 -10.795 -5.814 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -10.580 -9.883 -4.387 1.00 0.00 H new ATOM 330 N ASN A 25 -9.485 -5.759 -4.495 1.00 0.00 N ATOM 331 CA ASN A 25 -10.534 -5.053 -3.768 1.00 0.00 C ATOM 332 C ASN A 25 -10.523 -3.565 -4.107 1.00 0.00 C ATOM 333 O ASN A 25 -9.519 -3.033 -4.581 1.00 0.00 O ATOM 334 CB ASN A 25 -10.356 -5.245 -2.260 1.00 0.00 C ATOM 335 CG ASN A 25 -10.803 -6.617 -1.796 1.00 0.00 C ATOM 336 OD1 ASN A 25 -11.974 -6.977 -1.923 1.00 0.00 O ATOM 337 ND2 ASN A 25 -9.870 -7.391 -1.253 1.00 0.00 N ATOM 0 H ASN A 25 -8.781 -5.153 -4.915 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.495 -5.470 -4.070 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.308 -5.100 -1.999 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.925 -4.482 -1.729 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.112 -8.325 -0.921 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.912 -7.052 -1.168 1.00 0.00 H new ATOM 344 N SER A 26 -11.647 -2.899 -3.861 1.00 0.00 N ATOM 345 CA SER A 26 -11.768 -1.474 -4.143 1.00 0.00 C ATOM 346 C SER A 26 -11.340 -0.643 -2.937 1.00 0.00 C ATOM 347 O SER A 26 -11.542 -1.043 -1.790 1.00 0.00 O ATOM 348 CB SER A 26 -13.208 -1.130 -4.527 1.00 0.00 C ATOM 349 OG SER A 26 -13.357 0.261 -4.754 1.00 0.00 O ATOM 0 H SER A 26 -12.487 -3.324 -3.467 1.00 0.00 H new ATOM 0 HA SER A 26 -11.109 -1.237 -4.978 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.490 -1.680 -5.425 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.885 -1.447 -3.733 1.00 0.00 H new ATOM 0 HG SER A 26 -14.286 0.455 -5.000 1.00 0.00 H new ATOM 355 N TRP A 27 -10.747 0.514 -3.205 1.00 0.00 N ATOM 356 CA TRP A 27 -10.289 1.403 -2.143 1.00 0.00 C ATOM 357 C TRP A 27 -10.374 2.861 -2.578 1.00 0.00 C ATOM 358 O TRP A 27 -10.680 3.158 -3.734 1.00 0.00 O ATOM 359 CB TRP A 27 -8.852 1.059 -1.747 1.00 0.00 C ATOM 360 CG TRP A 27 -8.595 -0.415 -1.663 1.00 0.00 C ATOM 361 CD1 TRP A 27 -8.768 -1.335 -2.657 1.00 0.00 C ATOM 362 CD2 TRP A 27 -8.120 -1.138 -0.522 1.00 0.00 C ATOM 363 NE1 TRP A 27 -8.430 -2.587 -2.203 1.00 0.00 N ATOM 364 CE2 TRP A 27 -8.029 -2.493 -0.896 1.00 0.00 C ATOM 365 CE3 TRP A 27 -7.762 -0.773 0.778 1.00 0.00 C ATOM 366 CZ2 TRP A 27 -7.595 -3.481 -0.016 1.00 0.00 C ATOM 367 CZ3 TRP A 27 -7.332 -1.755 1.651 1.00 0.00 C ATOM 368 CH2 TRP A 27 -7.251 -3.095 1.251 1.00 0.00 C ATOM 0 H TRP A 27 -10.572 0.859 -4.149 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.940 1.263 -1.280 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -8.168 1.499 -2.472 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.630 1.515 -0.782 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -9.119 -1.111 -3.654 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.471 -3.447 -2.750 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -7.820 0.258 1.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.532 -4.515 -0.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -7.054 -1.484 2.659 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.910 -3.838 1.957 1.00 0.00 H new ATOM 379 N HIS A 28 -10.102 3.770 -1.647 1.00 0.00 N ATOM 380 CA HIS A 28 -10.148 5.199 -1.936 1.00 0.00 C ATOM 381 C HIS A 28 -8.807 5.687 -2.476 1.00 0.00 C ATOM 382 O HIS A 28 -7.760 5.082 -2.245 1.00 0.00 O ATOM 383 CB HIS A 28 -10.520 5.983 -0.677 1.00 0.00 C ATOM 384 CG HIS A 28 -11.975 5.906 -0.332 1.00 0.00 C ATOM 385 ND1 HIS A 28 -12.442 5.356 0.843 1.00 0.00 N ATOM 386 CD2 HIS A 28 -13.070 6.317 -1.014 1.00 0.00 C ATOM 387 CE1 HIS A 28 -13.761 5.429 0.867 1.00 0.00 C ATOM 388 NE2 HIS A 28 -14.167 6.008 -0.248 1.00 0.00 N ATOM 0 H HIS A 28 -9.847 3.542 -0.686 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.909 5.367 -2.698 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.936 5.606 0.162 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.242 7.028 -0.814 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -13.079 6.798 -1.981 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.399 5.075 1.663 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -15.138 6.195 -0.499 1.00 0.00 H new ATOM 396 N PRO A 29 -8.838 6.807 -3.213 1.00 0.00 N ATOM 397 CA PRO A 29 -7.634 7.401 -3.802 1.00 0.00 C ATOM 398 C PRO A 29 -6.710 8.003 -2.748 1.00 0.00 C ATOM 399 O PRO A 29 -5.651 8.539 -3.073 1.00 0.00 O ATOM 400 CB PRO A 29 -8.189 8.497 -4.715 1.00 0.00 C ATOM 401 CG PRO A 29 -9.509 8.851 -4.122 1.00 0.00 C ATOM 402 CD PRO A 29 -10.051 7.580 -3.528 1.00 0.00 C ATOM 0 HA PRO A 29 -7.027 6.660 -4.323 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.525 9.360 -4.746 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.298 8.141 -5.740 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.400 9.622 -3.360 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.184 9.246 -4.881 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.646 7.775 -2.636 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.694 7.050 -4.231 1.00 0.00 H new ATOM 410 N GLU A 30 -7.119 7.909 -1.487 1.00 0.00 N ATOM 411 CA GLU A 30 -6.326 8.446 -0.386 1.00 0.00 C ATOM 412 C GLU A 30 -6.034 7.365 0.651 1.00 0.00 C ATOM 413 O GLU A 30 -4.983 7.372 1.292 1.00 0.00 O ATOM 414 CB GLU A 30 -7.056 9.618 0.273 1.00 0.00 C ATOM 415 CG GLU A 30 -8.445 9.263 0.777 1.00 0.00 C ATOM 416 CD GLU A 30 -9.333 10.481 0.945 1.00 0.00 C ATOM 417 OE1 GLU A 30 -8.795 11.572 1.230 1.00 0.00 O ATOM 418 OE2 GLU A 30 -10.565 10.344 0.792 1.00 0.00 O ATOM 0 H GLU A 30 -7.993 7.467 -1.202 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.379 8.800 -0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.458 9.985 1.108 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.137 10.435 -0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.914 8.569 0.080 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.360 8.746 1.733 1.00 0.00 H new ATOM 425 N CYS A 31 -6.972 6.438 0.811 1.00 0.00 N ATOM 426 CA CYS A 31 -6.818 5.351 1.770 1.00 0.00 C ATOM 427 C CYS A 31 -5.645 4.452 1.390 1.00 0.00 C ATOM 428 O CYS A 31 -4.668 4.341 2.130 1.00 0.00 O ATOM 429 CB CYS A 31 -8.104 4.525 1.847 1.00 0.00 C ATOM 430 SG CYS A 31 -9.394 5.256 2.905 1.00 0.00 S ATOM 0 H CYS A 31 -7.848 6.418 0.288 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.616 5.788 2.748 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.503 4.399 0.841 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.862 3.530 2.221 1.00 0.00 H new ATOM 435 N PHE A 32 -5.749 3.812 0.229 1.00 0.00 N ATOM 436 CA PHE A 32 -4.698 2.922 -0.250 1.00 0.00 C ATOM 437 C PHE A 32 -3.337 3.610 -0.197 1.00 0.00 C ATOM 438 O PHE A 32 -2.952 4.319 -1.127 1.00 0.00 O ATOM 439 CB PHE A 32 -4.998 2.468 -1.680 1.00 0.00 C ATOM 440 CG PHE A 32 -4.262 1.221 -2.079 1.00 0.00 C ATOM 441 CD1 PHE A 32 -4.402 0.054 -1.346 1.00 0.00 C ATOM 442 CD2 PHE A 32 -3.432 1.216 -3.188 1.00 0.00 C ATOM 443 CE1 PHE A 32 -3.726 -1.095 -1.711 1.00 0.00 C ATOM 444 CE2 PHE A 32 -2.753 0.070 -3.558 1.00 0.00 C ATOM 445 CZ PHE A 32 -2.902 -1.087 -2.820 1.00 0.00 C ATOM 0 H PHE A 32 -6.550 3.893 -0.397 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.670 2.049 0.402 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.070 2.296 -1.781 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.738 3.271 -2.370 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.047 0.042 -0.480 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.314 2.118 -3.770 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.842 -1.998 -1.130 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.107 0.080 -4.423 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.375 -1.984 -3.109 1.00 0.00 H new ATOM 455 N ARG A 33 -2.614 3.396 0.897 1.00 0.00 N ATOM 456 CA ARG A 33 -1.298 3.997 1.073 1.00 0.00 C ATOM 457 C ARG A 33 -0.234 2.923 1.282 1.00 0.00 C ATOM 458 O ARG A 33 -0.549 1.774 1.593 1.00 0.00 O ATOM 459 CB ARG A 33 -1.307 4.959 2.262 1.00 0.00 C ATOM 460 CG ARG A 33 -2.138 6.210 2.028 1.00 0.00 C ATOM 461 CD ARG A 33 -1.825 7.287 3.054 1.00 0.00 C ATOM 462 NE ARG A 33 -2.001 8.630 2.509 1.00 0.00 N ATOM 463 CZ ARG A 33 -3.140 9.311 2.585 1.00 0.00 C ATOM 464 NH1 ARG A 33 -4.197 8.776 3.181 1.00 0.00 N ATOM 465 NH2 ARG A 33 -3.222 10.529 2.065 1.00 0.00 N ATOM 0 H ARG A 33 -2.918 2.811 1.675 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.056 4.553 0.167 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.691 4.437 3.138 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.282 5.251 2.489 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.946 6.594 1.026 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.197 5.958 2.075 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.473 7.160 3.922 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.799 7.169 3.402 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.206 9.070 2.045 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.137 7.840 3.582 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.070 9.300 3.238 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.411 10.943 1.606 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.096 11.051 2.124 1.00 0.00 H new ATOM 479 N CYS A 34 1.027 3.304 1.109 1.00 0.00 N ATOM 480 CA CYS A 34 2.138 2.375 1.277 1.00 0.00 C ATOM 481 C CYS A 34 2.115 1.747 2.667 1.00 0.00 C ATOM 482 O CYS A 34 1.559 2.314 3.607 1.00 0.00 O ATOM 483 CB CYS A 34 3.470 3.094 1.051 1.00 0.00 C ATOM 484 SG CYS A 34 4.903 1.978 0.920 1.00 0.00 S ATOM 0 H CYS A 34 1.305 4.251 0.852 1.00 0.00 H new ATOM 0 HA CYS A 34 2.032 1.582 0.537 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.400 3.687 0.139 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.639 3.790 1.872 1.00 0.00 H new ATOM 489 N ASP A 35 2.724 0.573 2.789 1.00 0.00 N ATOM 490 CA ASP A 35 2.776 -0.133 4.064 1.00 0.00 C ATOM 491 C ASP A 35 4.112 0.102 4.762 1.00 0.00 C ATOM 492 O ASP A 35 4.447 -0.580 5.732 1.00 0.00 O ATOM 493 CB ASP A 35 2.554 -1.631 3.852 1.00 0.00 C ATOM 494 CG ASP A 35 1.890 -2.293 5.043 1.00 0.00 C ATOM 495 OD1 ASP A 35 0.644 -2.260 5.122 1.00 0.00 O ATOM 496 OD2 ASP A 35 2.616 -2.846 5.895 1.00 0.00 O ATOM 0 H ASP A 35 3.189 0.090 2.020 1.00 0.00 H new ATOM 0 HA ASP A 35 1.981 0.258 4.699 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.937 -1.782 2.966 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.512 -2.114 3.660 1.00 0.00 H new ATOM 501 N LEU A 36 4.873 1.070 4.261 1.00 0.00 N ATOM 502 CA LEU A 36 6.174 1.394 4.835 1.00 0.00 C ATOM 503 C LEU A 36 6.314 2.898 5.051 1.00 0.00 C ATOM 504 O LEU A 36 6.924 3.342 6.024 1.00 0.00 O ATOM 505 CB LEU A 36 7.295 0.892 3.924 1.00 0.00 C ATOM 506 CG LEU A 36 7.442 -0.626 3.816 1.00 0.00 C ATOM 507 CD1 LEU A 36 8.144 -1.003 2.521 1.00 0.00 C ATOM 508 CD2 LEU A 36 8.200 -1.176 5.015 1.00 0.00 C ATOM 0 H LEU A 36 4.611 1.643 3.459 1.00 0.00 H new ATOM 0 HA LEU A 36 6.251 0.897 5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.131 1.293 2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.239 1.304 4.282 1.00 0.00 H new ATOM 0 HG LEU A 36 6.446 -1.068 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.240 -2.087 2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.561 -0.643 1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.135 -0.549 2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.295 -2.258 4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.192 -0.727 5.055 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.657 -0.938 5.929 1.00 0.00 H new ATOM 520 N CYS A 37 5.743 3.677 4.139 1.00 0.00 N ATOM 521 CA CYS A 37 5.802 5.131 4.229 1.00 0.00 C ATOM 522 C CYS A 37 4.400 5.734 4.217 1.00 0.00 C ATOM 523 O CYS A 37 4.226 6.927 4.461 1.00 0.00 O ATOM 524 CB CYS A 37 6.624 5.702 3.071 1.00 0.00 C ATOM 525 SG CYS A 37 5.851 5.489 1.435 1.00 0.00 S ATOM 0 H CYS A 37 5.234 3.325 3.328 1.00 0.00 H new ATOM 0 HA CYS A 37 6.283 5.392 5.171 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.790 6.765 3.247 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.603 5.223 3.064 1.00 0.00 H new ATOM 530 N GLN A 38 3.405 4.899 3.933 1.00 0.00 N ATOM 531 CA GLN A 38 2.019 5.350 3.890 1.00 0.00 C ATOM 532 C GLN A 38 1.830 6.425 2.825 1.00 0.00 C ATOM 533 O GLN A 38 1.344 7.518 3.113 1.00 0.00 O ATOM 534 CB GLN A 38 1.593 5.889 5.257 1.00 0.00 C ATOM 535 CG GLN A 38 1.830 4.911 6.397 1.00 0.00 C ATOM 536 CD GLN A 38 0.632 4.021 6.661 1.00 0.00 C ATOM 537 OE1 GLN A 38 -0.435 4.496 7.051 1.00 0.00 O ATOM 538 NE2 GLN A 38 0.802 2.721 6.448 1.00 0.00 N ATOM 0 H GLN A 38 3.533 3.908 3.730 1.00 0.00 H new ATOM 0 HA GLN A 38 1.393 4.496 3.633 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.138 6.811 5.461 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.534 6.145 5.223 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.695 4.290 6.164 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.072 5.467 7.303 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.704 2.371 6.125 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.031 2.073 6.608 1.00 0.00 H new ATOM 547 N GLU A 39 2.216 6.106 1.594 1.00 0.00 N ATOM 548 CA GLU A 39 2.090 7.046 0.486 1.00 0.00 C ATOM 549 C GLU A 39 0.979 6.616 -0.468 1.00 0.00 C ATOM 550 O GLU A 39 0.957 5.480 -0.941 1.00 0.00 O ATOM 551 CB GLU A 39 3.414 7.157 -0.272 1.00 0.00 C ATOM 552 CG GLU A 39 3.299 7.902 -1.592 1.00 0.00 C ATOM 553 CD GLU A 39 4.607 8.542 -2.015 1.00 0.00 C ATOM 554 OE1 GLU A 39 4.980 9.577 -1.425 1.00 0.00 O ATOM 555 OE2 GLU A 39 5.256 8.008 -2.939 1.00 0.00 O ATOM 0 H GLU A 39 2.618 5.204 1.339 1.00 0.00 H new ATOM 0 HA GLU A 39 1.834 8.022 0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.143 7.664 0.360 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.799 6.155 -0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.969 7.211 -2.368 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.533 8.673 -1.505 1.00 0.00 H new ATOM 562 N VAL A 40 0.057 7.533 -0.745 1.00 0.00 N ATOM 563 CA VAL A 40 -1.057 7.251 -1.643 1.00 0.00 C ATOM 564 C VAL A 40 -0.596 6.449 -2.855 1.00 0.00 C ATOM 565 O VAL A 40 0.203 6.927 -3.662 1.00 0.00 O ATOM 566 CB VAL A 40 -1.732 8.549 -2.125 1.00 0.00 C ATOM 567 CG1 VAL A 40 -2.889 8.233 -3.061 1.00 0.00 C ATOM 568 CG2 VAL A 40 -2.205 9.375 -0.939 1.00 0.00 C ATOM 0 H VAL A 40 0.060 8.478 -0.360 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.780 6.664 -1.077 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.999 9.136 -2.678 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.354 9.162 -3.391 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.517 7.685 -3.927 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.626 7.625 -2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.679 10.288 -1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.923 8.798 -0.357 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.352 9.632 -0.311 1.00 0.00 H new ATOM 578 N LEU A 41 -1.104 5.228 -2.978 1.00 0.00 N ATOM 579 CA LEU A 41 -0.746 4.359 -4.093 1.00 0.00 C ATOM 580 C LEU A 41 -1.881 4.281 -5.109 1.00 0.00 C ATOM 581 O LEU A 41 -2.153 3.220 -5.670 1.00 0.00 O ATOM 582 CB LEU A 41 -0.405 2.957 -3.584 1.00 0.00 C ATOM 583 CG LEU A 41 0.335 2.891 -2.247 1.00 0.00 C ATOM 584 CD1 LEU A 41 0.153 1.525 -1.604 1.00 0.00 C ATOM 585 CD2 LEU A 41 1.813 3.199 -2.440 1.00 0.00 C ATOM 0 H LEU A 41 -1.765 4.817 -2.319 1.00 0.00 H new ATOM 0 HA LEU A 41 0.129 4.783 -4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.331 2.390 -3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.202 2.456 -4.338 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.088 3.643 -1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.686 1.496 -0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.908 1.343 -1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.550 0.755 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.324 3.148 -1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.250 2.471 -3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.925 4.200 -2.857 1.00 0.00 H new ATOM 597 N ALA A 42 -2.538 5.412 -5.343 1.00 0.00 N ATOM 598 CA ALA A 42 -3.640 5.473 -6.295 1.00 0.00 C ATOM 599 C ALA A 42 -3.140 5.826 -7.691 1.00 0.00 C ATOM 600 O ALA A 42 -3.500 5.176 -8.673 1.00 0.00 O ATOM 601 CB ALA A 42 -4.681 6.482 -5.833 1.00 0.00 C ATOM 0 H ALA A 42 -2.326 6.299 -4.886 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.102 4.487 -6.342 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.498 6.517 -6.553 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.069 6.185 -4.859 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.223 7.468 -5.756 1.00 0.00 H new ATOM 607 N ASP A 43 -2.310 6.860 -7.773 1.00 0.00 N ATOM 608 CA ASP A 43 -1.761 7.300 -9.051 1.00 0.00 C ATOM 609 C ASP A 43 -0.403 6.654 -9.309 1.00 0.00 C ATOM 610 O ASP A 43 -0.143 6.149 -10.402 1.00 0.00 O ATOM 611 CB ASP A 43 -1.628 8.823 -9.075 1.00 0.00 C ATOM 612 CG ASP A 43 -2.973 9.523 -9.043 1.00 0.00 C ATOM 613 OD1 ASP A 43 -3.779 9.299 -9.969 1.00 0.00 O ATOM 614 OD2 ASP A 43 -3.218 10.294 -8.092 1.00 0.00 O ATOM 0 H ASP A 43 -2.003 7.409 -6.970 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.447 6.991 -9.840 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.033 9.146 -8.221 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.087 9.123 -9.972 1.00 0.00 H new ATOM 619 N ILE A 44 0.459 6.676 -8.298 1.00 0.00 N ATOM 620 CA ILE A 44 1.790 6.093 -8.417 1.00 0.00 C ATOM 621 C ILE A 44 1.717 4.573 -8.518 1.00 0.00 C ATOM 622 O ILE A 44 2.523 3.946 -9.204 1.00 0.00 O ATOM 623 CB ILE A 44 2.680 6.475 -7.220 1.00 0.00 C ATOM 624 CG1 ILE A 44 2.080 5.940 -5.918 1.00 0.00 C ATOM 625 CG2 ILE A 44 2.854 7.984 -7.149 1.00 0.00 C ATOM 626 CD1 ILE A 44 2.996 6.089 -4.724 1.00 0.00 C ATOM 0 H ILE A 44 0.260 7.091 -7.388 1.00 0.00 H new ATOM 0 HA ILE A 44 2.231 6.494 -9.330 1.00 0.00 H new ATOM 0 HB ILE A 44 3.662 6.022 -7.358 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.145 6.463 -5.716 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.834 4.886 -6.047 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.486 8.238 -6.298 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.322 8.340 -8.067 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.879 8.458 -7.032 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.505 5.689 -3.837 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.921 5.542 -4.905 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.223 7.144 -4.569 1.00 0.00 H new ATOM 638 N GLY A 45 0.742 3.986 -7.830 1.00 0.00 N ATOM 639 CA GLY A 45 0.580 2.544 -7.857 1.00 0.00 C ATOM 640 C GLY A 45 1.244 1.864 -6.676 1.00 0.00 C ATOM 641 O GLY A 45 1.940 2.508 -5.890 1.00 0.00 O ATOM 0 H GLY A 45 0.062 4.483 -7.255 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.483 2.301 -7.862 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.001 2.151 -8.782 1.00 0.00 H new ATOM 645 N PHE A 46 1.029 0.559 -6.549 1.00 0.00 N ATOM 646 CA PHE A 46 1.610 -0.209 -5.454 1.00 0.00 C ATOM 647 C PHE A 46 2.445 -1.369 -5.986 1.00 0.00 C ATOM 648 O PHE A 46 2.484 -1.620 -7.191 1.00 0.00 O ATOM 649 CB PHE A 46 0.509 -0.738 -4.533 1.00 0.00 C ATOM 650 CG PHE A 46 -0.377 -1.762 -5.185 1.00 0.00 C ATOM 651 CD1 PHE A 46 -1.276 -1.392 -6.172 1.00 0.00 C ATOM 652 CD2 PHE A 46 -0.310 -3.094 -4.810 1.00 0.00 C ATOM 653 CE1 PHE A 46 -2.092 -2.331 -6.774 1.00 0.00 C ATOM 654 CE2 PHE A 46 -1.123 -4.038 -5.409 1.00 0.00 C ATOM 655 CZ PHE A 46 -2.016 -3.656 -6.392 1.00 0.00 C ATOM 0 H PHE A 46 0.456 0.011 -7.191 1.00 0.00 H new ATOM 0 HA PHE A 46 2.262 0.454 -4.885 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.967 -1.177 -3.647 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.103 0.098 -4.194 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.340 -0.357 -6.475 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.385 -3.398 -4.041 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.788 -2.029 -7.542 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.060 -5.074 -5.109 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.653 -4.392 -6.860 1.00 0.00 H new ATOM 665 N VAL A 47 3.114 -2.074 -5.079 1.00 0.00 N ATOM 666 CA VAL A 47 3.949 -3.209 -5.456 1.00 0.00 C ATOM 667 C VAL A 47 3.775 -4.367 -4.480 1.00 0.00 C ATOM 668 O VAL A 47 4.272 -4.325 -3.354 1.00 0.00 O ATOM 669 CB VAL A 47 5.437 -2.817 -5.511 1.00 0.00 C ATOM 670 CG1 VAL A 47 6.288 -4.008 -5.926 1.00 0.00 C ATOM 671 CG2 VAL A 47 5.645 -1.646 -6.459 1.00 0.00 C ATOM 0 H VAL A 47 3.094 -1.879 -4.078 1.00 0.00 H new ATOM 0 HA VAL A 47 3.627 -3.523 -6.449 1.00 0.00 H new ATOM 0 HB VAL A 47 5.750 -2.507 -4.514 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.337 -3.712 -5.959 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.162 -4.815 -5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.976 -4.352 -6.912 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.702 -1.383 -6.485 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.316 -1.925 -7.460 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.066 -0.790 -6.112 1.00 0.00 H new ATOM 681 N LYS A 48 3.067 -5.402 -4.919 1.00 0.00 N ATOM 682 CA LYS A 48 2.828 -6.575 -4.086 1.00 0.00 C ATOM 683 C LYS A 48 4.140 -7.138 -3.549 1.00 0.00 C ATOM 684 O LYS A 48 5.037 -7.483 -4.317 1.00 0.00 O ATOM 685 CB LYS A 48 2.087 -7.650 -4.883 1.00 0.00 C ATOM 686 CG LYS A 48 0.578 -7.604 -4.712 1.00 0.00 C ATOM 687 CD LYS A 48 0.154 -8.144 -3.357 1.00 0.00 C ATOM 688 CE LYS A 48 0.346 -9.650 -3.272 1.00 0.00 C ATOM 689 NZ LYS A 48 -0.466 -10.371 -4.291 1.00 0.00 N ATOM 0 H LYS A 48 2.648 -5.452 -5.848 1.00 0.00 H new ATOM 0 HA LYS A 48 2.212 -6.269 -3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.328 -7.537 -5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.449 -8.631 -4.577 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.230 -6.577 -4.821 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.103 -8.187 -5.502 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.734 -7.657 -2.573 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.893 -7.899 -3.178 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.400 -9.890 -3.411 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.069 -9.996 -2.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.963 -11.166 -3.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.162 -9.719 -4.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.158 -10.733 -5.040 1.00 0.00 H new ATOM 703 N ASN A 49 4.243 -7.229 -2.227 1.00 0.00 N ATOM 704 CA ASN A 49 5.446 -7.751 -1.589 1.00 0.00 C ATOM 705 C ASN A 49 5.151 -8.207 -0.163 1.00 0.00 C ATOM 706 O ASN A 49 4.587 -7.459 0.634 1.00 0.00 O ATOM 707 CB ASN A 49 6.546 -6.688 -1.579 1.00 0.00 C ATOM 708 CG ASN A 49 7.936 -7.293 -1.632 1.00 0.00 C ATOM 709 OD1 ASN A 49 8.121 -8.408 -2.121 1.00 0.00 O ATOM 710 ND2 ASN A 49 8.920 -6.559 -1.126 1.00 0.00 N ATOM 0 H ASN A 49 3.509 -6.948 -1.577 1.00 0.00 H new ATOM 0 HA ASN A 49 5.788 -8.612 -2.164 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.410 -6.021 -2.430 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.452 -6.080 -0.679 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.876 -6.914 -1.132 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.720 -5.640 -0.731 1.00 0.00 H new ATOM 717 N ALA A 50 5.537 -9.439 0.150 1.00 0.00 N ATOM 718 CA ALA A 50 5.316 -9.994 1.480 1.00 0.00 C ATOM 719 C ALA A 50 3.881 -9.763 1.940 1.00 0.00 C ATOM 720 O ALA A 50 3.630 -9.512 3.118 1.00 0.00 O ATOM 721 CB ALA A 50 6.296 -9.388 2.474 1.00 0.00 C ATOM 0 H ALA A 50 6.004 -10.072 -0.499 1.00 0.00 H new ATOM 0 HA ALA A 50 5.484 -11.070 1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.120 -9.811 3.463 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.316 -9.610 2.161 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.155 -8.308 2.511 1.00 0.00 H new ATOM 727 N GLY A 51 2.942 -9.848 1.002 1.00 0.00 N ATOM 728 CA GLY A 51 1.544 -9.644 1.332 1.00 0.00 C ATOM 729 C GLY A 51 1.251 -8.220 1.760 1.00 0.00 C ATOM 730 O GLY A 51 0.324 -7.975 2.532 1.00 0.00 O ATOM 0 H GLY A 51 3.125 -10.054 0.020 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.930 -9.894 0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.260 -10.327 2.133 1.00 0.00 H new ATOM 734 N ARG A 52 2.044 -7.278 1.259 1.00 0.00 N ATOM 735 CA ARG A 52 1.866 -5.871 1.596 1.00 0.00 C ATOM 736 C ARG A 52 2.044 -4.989 0.364 1.00 0.00 C ATOM 737 O ARG A 52 2.888 -5.261 -0.490 1.00 0.00 O ATOM 738 CB ARG A 52 2.861 -5.455 2.681 1.00 0.00 C ATOM 739 CG ARG A 52 2.795 -6.317 3.932 1.00 0.00 C ATOM 740 CD ARG A 52 4.006 -6.099 4.824 1.00 0.00 C ATOM 741 NE ARG A 52 4.106 -7.113 5.870 1.00 0.00 N ATOM 742 CZ ARG A 52 4.772 -6.935 7.005 1.00 0.00 C ATOM 743 NH1 ARG A 52 5.394 -5.788 7.240 1.00 0.00 N ATOM 744 NH2 ARG A 52 4.816 -7.906 7.909 1.00 0.00 N ATOM 0 H ARG A 52 2.816 -7.464 0.618 1.00 0.00 H new ATOM 0 HA ARG A 52 0.851 -5.740 1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.871 -5.499 2.272 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.673 -4.417 2.955 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.886 -6.085 4.487 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.735 -7.368 3.648 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.911 -6.115 4.217 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.946 -5.111 5.281 1.00 0.00 H new ATOM 0 HE ARG A 52 3.639 -8.007 5.721 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.362 -5.039 6.548 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.905 -5.654 8.113 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.338 -8.790 7.732 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.328 -7.769 8.781 1.00 0.00 H new ATOM 758 N HIS A 53 1.241 -3.933 0.277 1.00 0.00 N ATOM 759 CA HIS A 53 1.310 -3.011 -0.851 1.00 0.00 C ATOM 760 C HIS A 53 2.288 -1.876 -0.567 1.00 0.00 C ATOM 761 O HIS A 53 2.043 -1.033 0.298 1.00 0.00 O ATOM 762 CB HIS A 53 -0.076 -2.442 -1.157 1.00 0.00 C ATOM 763 CG HIS A 53 -0.934 -2.271 0.059 1.00 0.00 C ATOM 764 ND1 HIS A 53 -2.176 -2.856 0.191 1.00 0.00 N ATOM 765 CD2 HIS A 53 -0.723 -1.578 1.202 1.00 0.00 C ATOM 766 CE1 HIS A 53 -2.692 -2.528 1.362 1.00 0.00 C ATOM 767 NE2 HIS A 53 -1.830 -1.753 1.995 1.00 0.00 N ATOM 0 H HIS A 53 0.535 -3.695 0.974 1.00 0.00 H new ATOM 0 HA HIS A 53 1.667 -3.565 -1.719 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.037 -1.477 -1.651 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.584 -3.102 -1.860 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.153 -0.996 1.445 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -3.655 -2.840 1.738 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -1.965 -1.350 2.922 1.00 0.00 H new ATOM 776 N LEU A 54 3.397 -1.859 -1.298 1.00 0.00 N ATOM 777 CA LEU A 54 4.413 -0.827 -1.124 1.00 0.00 C ATOM 778 C LEU A 54 4.556 0.015 -2.388 1.00 0.00 C ATOM 779 O LEU A 54 4.076 -0.363 -3.457 1.00 0.00 O ATOM 780 CB LEU A 54 5.758 -1.463 -0.766 1.00 0.00 C ATOM 781 CG LEU A 54 5.692 -2.796 -0.020 1.00 0.00 C ATOM 782 CD1 LEU A 54 7.027 -3.520 -0.103 1.00 0.00 C ATOM 783 CD2 LEU A 54 5.293 -2.575 1.432 1.00 0.00 C ATOM 0 H LEU A 54 3.616 -2.548 -2.017 1.00 0.00 H new ATOM 0 HA LEU A 54 4.098 -0.175 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.323 -1.612 -1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.321 -0.756 -0.157 1.00 0.00 H new ATOM 0 HG LEU A 54 4.933 -3.419 -0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.962 -4.467 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.273 -3.711 -1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.805 -2.902 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.251 -3.534 1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.028 -1.934 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.313 -2.099 1.472 1.00 0.00 H new ATOM 795 N CYS A 55 5.223 1.157 -2.259 1.00 0.00 N ATOM 796 CA CYS A 55 5.432 2.053 -3.390 1.00 0.00 C ATOM 797 C CYS A 55 6.800 1.819 -4.024 1.00 0.00 C ATOM 798 O CYS A 55 7.752 1.432 -3.345 1.00 0.00 O ATOM 799 CB CYS A 55 5.307 3.511 -2.943 1.00 0.00 C ATOM 800 SG CYS A 55 6.636 4.062 -1.827 1.00 0.00 S ATOM 0 H CYS A 55 5.628 1.484 -1.382 1.00 0.00 H new ATOM 0 HA CYS A 55 4.665 1.842 -4.135 1.00 0.00 H new ATOM 0 HB2 CYS A 55 5.299 4.151 -3.825 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.348 3.646 -2.443 1.00 0.00 H new ATOM 805 N ARG A 56 6.891 2.057 -5.328 1.00 0.00 N ATOM 806 CA ARG A 56 8.142 1.872 -6.053 1.00 0.00 C ATOM 807 C ARG A 56 9.335 2.272 -5.190 1.00 0.00 C ATOM 808 O ARG A 56 10.289 1.513 -5.017 1.00 0.00 O ATOM 809 CB ARG A 56 8.134 2.692 -7.344 1.00 0.00 C ATOM 810 CG ARG A 56 7.737 1.891 -8.573 1.00 0.00 C ATOM 811 CD ARG A 56 8.849 0.949 -9.007 1.00 0.00 C ATOM 812 NE ARG A 56 8.666 -0.398 -8.471 1.00 0.00 N ATOM 813 CZ ARG A 56 9.176 -1.488 -9.033 1.00 0.00 C ATOM 814 NH1 ARG A 56 9.898 -1.391 -10.141 1.00 0.00 N ATOM 815 NH2 ARG A 56 8.965 -2.678 -8.485 1.00 0.00 N ATOM 0 H ARG A 56 6.113 2.378 -5.904 1.00 0.00 H new ATOM 0 HA ARG A 56 8.235 0.815 -6.303 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.445 3.529 -7.228 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.126 3.115 -7.502 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.835 1.317 -8.359 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.496 2.571 -9.390 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.882 0.905 -10.096 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.809 1.344 -8.675 1.00 0.00 H new ATOM 0 HE ARG A 56 8.117 -0.507 -7.619 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.063 -0.478 -10.564 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.288 -2.230 -10.570 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.411 -2.756 -7.632 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.357 -3.515 -8.917 1.00 0.00 H new ATOM 829 N PRO A 57 9.282 3.492 -4.637 1.00 0.00 N ATOM 830 CA PRO A 57 10.350 4.021 -3.783 1.00 0.00 C ATOM 831 C PRO A 57 10.784 3.025 -2.713 1.00 0.00 C ATOM 832 O PRO A 57 11.916 2.543 -2.721 1.00 0.00 O ATOM 833 CB PRO A 57 9.712 5.254 -3.139 1.00 0.00 C ATOM 834 CG PRO A 57 8.661 5.684 -4.104 1.00 0.00 C ATOM 835 CD PRO A 57 8.176 4.450 -4.802 1.00 0.00 C ATOM 0 HA PRO A 57 11.254 4.240 -4.351 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.282 5.015 -2.166 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.448 6.042 -2.978 1.00 0.00 H new ATOM 0 HG2 PRO A 57 7.841 6.181 -3.585 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.065 6.399 -4.821 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.254 4.076 -4.357 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.967 4.642 -5.854 1.00 0.00 H new ATOM 843 N CYS A 58 9.875 2.721 -1.792 1.00 0.00 N ATOM 844 CA CYS A 58 10.163 1.783 -0.714 1.00 0.00 C ATOM 845 C CYS A 58 10.588 0.427 -1.272 1.00 0.00 C ATOM 846 O CYS A 58 11.750 0.036 -1.163 1.00 0.00 O ATOM 847 CB CYS A 58 8.936 1.615 0.185 1.00 0.00 C ATOM 848 SG CYS A 58 8.422 3.142 1.034 1.00 0.00 S ATOM 0 H CYS A 58 8.933 3.111 -1.771 1.00 0.00 H new ATOM 0 HA CYS A 58 10.985 2.187 -0.124 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.105 1.250 -0.418 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.148 0.850 0.932 1.00 0.00 H new ATOM 853 N HIS A 59 9.638 -0.284 -1.871 1.00 0.00 N ATOM 854 CA HIS A 59 9.913 -1.595 -2.447 1.00 0.00 C ATOM 855 C HIS A 59 11.326 -1.651 -3.021 1.00 0.00 C ATOM 856 O HIS A 59 12.073 -2.594 -2.766 1.00 0.00 O ATOM 857 CB HIS A 59 8.894 -1.921 -3.539 1.00 0.00 C ATOM 858 CG HIS A 59 9.309 -3.051 -4.429 1.00 0.00 C ATOM 859 ND1 HIS A 59 9.682 -3.062 -5.730 1.00 0.00 N flip ATOM 860 CD2 HIS A 59 9.372 -4.361 -4.002 1.00 0.00 C flip ATOM 861 CE1 HIS A 59 9.962 -4.365 -6.062 1.00 0.00 C flip ATOM 862 NE2 HIS A 59 9.768 -5.129 -5.002 1.00 0.00 N flip ATOM 0 H HIS A 59 8.671 0.026 -1.970 1.00 0.00 H new ATOM 0 HA HIS A 59 9.832 -2.337 -1.652 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.941 -2.169 -3.072 1.00 0.00 H new ATOM 0 HB3 HIS A 59 8.729 -1.032 -4.148 1.00 0.00 H new ATOM 0 HD2 HIS A 59 9.135 -4.705 -3.006 1.00 0.00 H new ATOM 0 HE1 HIS A 59 10.288 -4.709 -7.032 1.00 0.00 H new ATOM 0 HE2 HIS A 59 9.901 -6.139 -4.962 1.00 0.00 H new ATOM 871 N ASN A 60 11.684 -0.633 -3.798 1.00 0.00 N ATOM 872 CA ASN A 60 13.007 -0.567 -4.409 1.00 0.00 C ATOM 873 C ASN A 60 14.101 -0.649 -3.349 1.00 0.00 C ATOM 874 O ASN A 60 15.081 -1.377 -3.509 1.00 0.00 O ATOM 875 CB ASN A 60 13.156 0.726 -5.212 1.00 0.00 C ATOM 876 CG ASN A 60 12.704 0.568 -6.651 1.00 0.00 C ATOM 877 OD1 ASN A 60 13.078 -0.389 -7.330 1.00 0.00 O ATOM 878 ND2 ASN A 60 11.896 1.509 -7.125 1.00 0.00 N ATOM 0 H ASN A 60 11.077 0.156 -4.019 1.00 0.00 H new ATOM 0 HA ASN A 60 13.112 -1.419 -5.081 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.574 1.515 -4.736 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.199 1.043 -5.194 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.560 1.456 -8.087 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.611 2.285 -6.527 1.00 0.00 H new ATOM 885 N ARG A 61 13.925 0.101 -2.266 1.00 0.00 N ATOM 886 CA ARG A 61 14.897 0.114 -1.179 1.00 0.00 C ATOM 887 C ARG A 61 15.136 -1.296 -0.647 1.00 0.00 C ATOM 888 O ARG A 61 16.275 -1.691 -0.397 1.00 0.00 O ATOM 889 CB ARG A 61 14.417 1.023 -0.047 1.00 0.00 C ATOM 890 CG ARG A 61 14.475 2.503 -0.389 1.00 0.00 C ATOM 891 CD ARG A 61 13.776 3.346 0.667 1.00 0.00 C ATOM 892 NE ARG A 61 13.707 4.754 0.284 1.00 0.00 N ATOM 893 CZ ARG A 61 12.986 5.658 0.938 1.00 0.00 C ATOM 894 NH1 ARG A 61 12.276 5.303 2.001 1.00 0.00 N ATOM 895 NH2 ARG A 61 12.973 6.920 0.529 1.00 0.00 N ATOM 0 H ARG A 61 13.118 0.708 -2.118 1.00 0.00 H new ATOM 0 HA ARG A 61 15.838 0.501 -1.571 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.392 0.758 0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 61 15.026 0.839 0.838 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.515 2.817 -0.477 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.008 2.672 -1.359 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.768 2.964 0.827 1.00 0.00 H new ATOM 0 HD3 ARG A 61 14.306 3.253 1.615 1.00 0.00 H new ATOM 0 HE ARG A 61 14.241 5.060 -0.529 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.283 4.334 2.318 1.00 0.00 H new ATOM 0 HH12 ARG A 61 11.723 5.999 2.501 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.517 7.197 -0.288 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.419 7.613 1.032 1.00 0.00 H new ATOM 909 N GLU A 62 14.054 -2.050 -0.476 1.00 0.00 N ATOM 910 CA GLU A 62 14.147 -3.415 0.028 1.00 0.00 C ATOM 911 C GLU A 62 14.746 -4.344 -1.025 1.00 0.00 C ATOM 912 O GLU A 62 15.818 -4.916 -0.827 1.00 0.00 O ATOM 913 CB GLU A 62 12.766 -3.923 0.445 1.00 0.00 C ATOM 914 CG GLU A 62 11.961 -2.912 1.245 1.00 0.00 C ATOM 915 CD GLU A 62 12.206 -3.021 2.738 1.00 0.00 C ATOM 916 OE1 GLU A 62 12.103 -4.143 3.276 1.00 0.00 O ATOM 917 OE2 GLU A 62 12.501 -1.983 3.367 1.00 0.00 O ATOM 0 H GLU A 62 13.104 -1.739 -0.679 1.00 0.00 H new ATOM 0 HA GLU A 62 14.803 -3.410 0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.204 -4.197 -0.448 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.886 -4.830 1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.214 -1.906 0.912 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.900 -3.057 1.043 1.00 0.00 H new ATOM 924 N LYS A 63 14.045 -4.490 -2.144 1.00 0.00 N ATOM 925 CA LYS A 63 14.506 -5.348 -3.229 1.00 0.00 C ATOM 926 C LYS A 63 15.940 -5.007 -3.621 1.00 0.00 C ATOM 927 O LYS A 63 16.717 -5.886 -3.994 1.00 0.00 O ATOM 928 CB LYS A 63 13.586 -5.206 -4.444 1.00 0.00 C ATOM 929 CG LYS A 63 13.511 -3.790 -4.988 1.00 0.00 C ATOM 930 CD LYS A 63 14.556 -3.550 -6.065 1.00 0.00 C ATOM 931 CE LYS A 63 14.152 -4.185 -7.386 1.00 0.00 C ATOM 932 NZ LYS A 63 15.196 -4.002 -8.432 1.00 0.00 N ATOM 0 H LYS A 63 13.155 -4.025 -2.323 1.00 0.00 H new ATOM 0 HA LYS A 63 14.480 -6.380 -2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.935 -5.871 -5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.583 -5.535 -4.170 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.517 -3.609 -5.397 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.655 -3.079 -4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.697 -2.478 -6.204 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.513 -3.958 -5.742 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.970 -5.249 -7.237 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.215 -3.746 -7.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.883 -4.449 -9.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 15.352 -2.986 -8.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 16.084 -4.443 -8.117 1.00 0.00 H new ATOM 946 N ALA A 64 16.284 -3.727 -3.533 1.00 0.00 N ATOM 947 CA ALA A 64 17.626 -3.271 -3.875 1.00 0.00 C ATOM 948 C ALA A 64 18.675 -4.300 -3.469 1.00 0.00 C ATOM 949 O ALA A 64 18.704 -4.753 -2.324 1.00 0.00 O ATOM 950 CB ALA A 64 17.913 -1.931 -3.213 1.00 0.00 C ATOM 0 H ALA A 64 15.652 -2.987 -3.228 1.00 0.00 H new ATOM 0 HA ALA A 64 17.677 -3.147 -4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 64 18.918 -1.603 -3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.188 -1.193 -3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 64 17.838 -2.036 -2.131 1.00 0.00 H new ATOM 956 N SER A 65 19.537 -4.665 -4.413 1.00 0.00 N ATOM 957 CA SER A 65 20.585 -5.644 -4.154 1.00 0.00 C ATOM 958 C SER A 65 20.004 -6.913 -3.538 1.00 0.00 C ATOM 959 O SER A 65 20.569 -7.478 -2.602 1.00 0.00 O ATOM 960 CB SER A 65 21.647 -5.053 -3.224 1.00 0.00 C ATOM 961 OG SER A 65 22.380 -4.029 -3.874 1.00 0.00 O ATOM 0 H SER A 65 19.530 -4.297 -5.364 1.00 0.00 H new ATOM 0 HA SER A 65 21.049 -5.902 -5.106 1.00 0.00 H new ATOM 0 HB2 SER A 65 21.170 -4.652 -2.330 1.00 0.00 H new ATOM 0 HB3 SER A 65 22.327 -5.840 -2.897 1.00 0.00 H new ATOM 0 HG SER A 65 23.051 -3.666 -3.259 1.00 0.00 H new ATOM 967 N GLY A 66 18.868 -7.356 -4.070 1.00 0.00 N ATOM 968 CA GLY A 66 18.228 -8.554 -3.561 1.00 0.00 C ATOM 969 C GLY A 66 18.843 -9.822 -4.118 1.00 0.00 C ATOM 970 O GLY A 66 19.744 -9.784 -4.957 1.00 0.00 O ATOM 0 H GLY A 66 18.380 -6.906 -4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 66 18.300 -8.566 -2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 66 17.167 -8.529 -3.810 1.00 0.00 H new ATOM 974 N PRO A 67 18.354 -10.979 -3.647 1.00 0.00 N ATOM 975 CA PRO A 67 18.848 -12.286 -4.089 1.00 0.00 C ATOM 976 C PRO A 67 18.459 -12.595 -5.531 1.00 0.00 C ATOM 977 O PRO A 67 18.789 -13.657 -6.058 1.00 0.00 O ATOM 978 CB PRO A 67 18.169 -13.265 -3.130 1.00 0.00 C ATOM 979 CG PRO A 67 16.934 -12.562 -2.682 1.00 0.00 C ATOM 980 CD PRO A 67 17.281 -11.099 -2.646 1.00 0.00 C ATOM 0 HA PRO A 67 19.937 -12.338 -4.071 1.00 0.00 H new ATOM 0 HB2 PRO A 67 17.931 -14.205 -3.627 1.00 0.00 H new ATOM 0 HB3 PRO A 67 18.816 -13.505 -2.286 1.00 0.00 H new ATOM 0 HG2 PRO A 67 16.107 -12.750 -3.367 1.00 0.00 H new ATOM 0 HG3 PRO A 67 16.620 -12.913 -1.699 1.00 0.00 H new ATOM 0 HD2 PRO A 67 16.423 -10.476 -2.900 1.00 0.00 H new ATOM 0 HD3 PRO A 67 17.618 -10.790 -1.657 1.00 0.00 H new ATOM 988 N SER A 68 17.756 -11.661 -6.163 1.00 0.00 N ATOM 989 CA SER A 68 17.319 -11.836 -7.543 1.00 0.00 C ATOM 990 C SER A 68 17.866 -10.723 -8.431 1.00 0.00 C ATOM 991 O SER A 68 17.376 -9.594 -8.405 1.00 0.00 O ATOM 992 CB SER A 68 15.791 -11.858 -7.617 1.00 0.00 C ATOM 993 OG SER A 68 15.349 -12.241 -8.908 1.00 0.00 O ATOM 0 H SER A 68 17.477 -10.775 -5.741 1.00 0.00 H new ATOM 0 HA SER A 68 17.707 -12.789 -7.903 1.00 0.00 H new ATOM 0 HB2 SER A 68 15.398 -12.552 -6.874 1.00 0.00 H new ATOM 0 HB3 SER A 68 15.398 -10.871 -7.372 1.00 0.00 H new ATOM 0 HG SER A 68 14.369 -12.249 -8.929 1.00 0.00 H new ATOM 999 N SER A 69 18.887 -11.051 -9.218 1.00 0.00 N ATOM 1000 CA SER A 69 19.505 -10.079 -10.112 1.00 0.00 C ATOM 1001 C SER A 69 18.649 -9.865 -11.357 1.00 0.00 C ATOM 1002 O SER A 69 18.890 -10.469 -12.401 1.00 0.00 O ATOM 1003 CB SER A 69 20.905 -10.544 -10.516 1.00 0.00 C ATOM 1004 OG SER A 69 21.830 -10.353 -9.460 1.00 0.00 O ATOM 0 H SER A 69 19.303 -11.982 -9.254 1.00 0.00 H new ATOM 0 HA SER A 69 19.584 -9.131 -9.579 1.00 0.00 H new ATOM 0 HB2 SER A 69 20.876 -11.598 -10.792 1.00 0.00 H new ATOM 0 HB3 SER A 69 21.235 -9.993 -11.397 1.00 0.00 H new ATOM 0 HG SER A 69 22.717 -10.660 -9.743 1.00 0.00 H new ATOM 1010 N GLY A 70 17.646 -9.000 -11.237 1.00 0.00 N ATOM 1011 CA GLY A 70 16.769 -8.720 -12.359 1.00 0.00 C ATOM 1012 C GLY A 70 17.426 -7.842 -13.405 1.00 0.00 C ATOM 1013 O GLY A 70 17.169 -8.030 -14.593 1.00 0.00 O ATOM 0 H GLY A 70 17.425 -8.488 -10.383 1.00 0.00 H new ATOM 0 HA2 GLY A 70 16.462 -9.659 -12.819 1.00 0.00 H new ATOM 0 HA3 GLY A 70 15.865 -8.232 -11.996 1.00 0.00 H new TER 1017 GLY A 70 HETATM 1018 ZN ZN A 201 -11.424 4.414 2.365 1.00 0.00 ZN HETATM 1019 ZN ZN A 401 6.575 3.530 0.350 1.00 0.00 ZN