USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 398 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 52 LYS NZ :NH3+ -126:sc= -0.557 (180deg=-1.52!) USER MOD Set 1.2: A 53 HIS : no HE2:sc= -0.793 X(o=-1.4,f=-0.97) USER MOD Set 2.1: A 30 GLN : amide:sc= 1.4 K(o=1.1,f=-0.97) USER MOD Set 2.2: A 32 TYR OH : rot 60:sc= -0.339 USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= 0.784 USER MOD Set 3.2: A 14 LYS NZ :NH3+ -176:sc= 1.4 (180deg=0.364) USER MOD Single : A 1 GLN : amide:sc= 0.609 K(o=0.61,f=-6!) USER MOD Single : A 1 GLN N :NH3+ -179:sc= 1.32 (180deg=1.07) USER MOD Single : A 4 GLN : amide:sc= 1.34 K(o=1.3,f=-5!) USER MOD Single : A 11 GLN : amide:sc= -0.0671 X(o=-0.067,f=-0.29) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 100:sc= 0.351 USER MOD Single : A 21 SER OG : rot -48:sc= 0.605 USER MOD Single : A 22 ASN : amide:sc= -0.0492 K(o=-0.049,f=-2.2!) USER MOD Single : A 24 HIS : no HD1:sc= -0.371 X(o=-0.37,f=-0.83) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -12:sc= 0.763 USER MOD Single : A 34 ASN : amide:sc= -3.18! C(o=-3.2!,f=-6.3!) USER MOD Single : A 35 LYS NZ :NH3+ 170:sc= 1.35 (180deg=1.29) USER MOD Single : A 40 LYS NZ :NH3+ -146:sc= -2.06! (180deg=-3.43!) USER MOD Single : A 44 LYS NZ :NH3+ -146:sc= 0.884 (180deg=-0.467!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.168 USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= 2.35 (180deg=1.44) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 157:sc= 0.768 (180deg=-1.12!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -0.888 2.399 6.074 1.00 0.00 N ATOM 2 CA GLN A 1 -0.269 2.201 4.766 1.00 0.00 C ATOM 3 C GLN A 1 -0.741 3.332 3.885 1.00 0.00 C ATOM 4 O GLN A 1 -1.945 3.579 3.833 1.00 0.00 O ATOM 5 CB GLN A 1 -0.698 0.847 4.114 1.00 0.00 C ATOM 6 CG GLN A 1 -0.435 -0.425 4.942 1.00 0.00 C ATOM 7 CD GLN A 1 -1.331 -0.528 6.162 1.00 0.00 C ATOM 8 OE1 GLN A 1 -0.990 -0.039 7.219 1.00 0.00 O ATOM 9 NE2 GLN A 1 -2.477 -1.126 6.017 1.00 0.00 N ATOM 0 H1 GLN A 1 -0.576 1.648 6.723 1.00 0.00 H new ATOM 0 H2 GLN A 1 -0.606 3.325 6.455 1.00 0.00 H new ATOM 0 H3 GLN A 1 -1.923 2.365 5.977 1.00 0.00 H new ATOM 0 HA GLN A 1 0.815 2.181 4.879 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -1.764 0.897 3.893 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -0.179 0.747 3.160 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -0.586 -1.301 4.311 1.00 0.00 H new ATOM 0 HG3 GLN A 1 0.607 -0.437 5.260 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -2.733 -1.526 5.114 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -3.120 -1.194 6.806 1.00 0.00 H new ATOM 18 N GLY A 2 0.168 4.043 3.246 1.00 0.00 N ATOM 19 CA GLY A 2 -0.248 5.096 2.345 1.00 0.00 C ATOM 20 C GLY A 2 0.874 6.032 1.968 1.00 0.00 C ATOM 21 O GLY A 2 0.950 6.477 0.835 1.00 0.00 O ATOM 0 H GLY A 2 1.176 3.915 3.331 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -0.660 4.650 1.440 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.050 5.669 2.811 1.00 0.00 H new ATOM 25 N GLY A 3 1.752 6.303 2.905 1.00 0.00 N ATOM 26 CA GLY A 3 2.833 7.249 2.659 1.00 0.00 C ATOM 27 C GLY A 3 2.525 8.541 3.327 1.00 0.00 C ATOM 28 O GLY A 3 2.812 9.632 2.846 1.00 0.00 O ATOM 0 H GLY A 3 1.746 5.891 3.838 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.774 6.848 3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.959 7.403 1.587 1.00 0.00 H new ATOM 32 N GLN A 4 1.926 8.371 4.428 1.00 0.00 N ATOM 33 CA GLN A 4 1.478 9.378 5.305 1.00 0.00 C ATOM 34 C GLN A 4 2.165 9.108 6.603 1.00 0.00 C ATOM 35 O GLN A 4 3.192 8.415 6.622 1.00 0.00 O ATOM 36 CB GLN A 4 -0.033 9.181 5.390 1.00 0.00 C ATOM 37 CG GLN A 4 -0.472 7.927 6.133 1.00 0.00 C ATOM 38 CD GLN A 4 -1.832 7.428 5.716 1.00 0.00 C ATOM 39 OE1 GLN A 4 -2.716 8.191 5.301 1.00 0.00 O ATOM 40 NE2 GLN A 4 -2.006 6.144 5.807 1.00 0.00 N ATOM 0 H GLN A 4 1.713 7.437 4.778 1.00 0.00 H new ATOM 0 HA GLN A 4 1.690 10.403 5.002 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.472 10.050 5.881 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.439 9.148 4.379 1.00 0.00 H new ATOM 0 HG2 GLN A 4 0.263 7.139 5.966 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -0.481 8.133 7.203 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.252 5.551 6.154 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.896 5.729 5.532 1.00 0.00 H new ATOM 49 N VAL A 5 1.681 9.656 7.657 1.00 0.00 N ATOM 50 CA VAL A 5 2.208 9.279 8.944 1.00 0.00 C ATOM 51 C VAL A 5 1.700 7.873 9.286 1.00 0.00 C ATOM 52 O VAL A 5 0.627 7.677 9.886 1.00 0.00 O ATOM 53 CB VAL A 5 1.886 10.265 10.086 1.00 0.00 C ATOM 54 CG1 VAL A 5 2.617 9.832 11.361 1.00 0.00 C ATOM 55 CG2 VAL A 5 2.273 11.688 9.701 1.00 0.00 C ATOM 0 H VAL A 5 0.937 10.354 7.671 1.00 0.00 H new ATOM 0 HA VAL A 5 3.295 9.298 8.860 1.00 0.00 H new ATOM 0 HB VAL A 5 0.812 10.251 10.270 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.388 10.530 12.166 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.292 8.831 11.645 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.692 9.827 11.180 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.036 12.364 10.522 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.342 11.731 9.493 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.718 11.988 8.812 1.00 0.00 H new ATOM 65 N ASP A 6 2.408 6.912 8.782 1.00 0.00 N ATOM 66 CA ASP A 6 2.097 5.548 9.001 1.00 0.00 C ATOM 67 C ASP A 6 2.875 5.042 10.186 1.00 0.00 C ATOM 68 O ASP A 6 4.081 4.829 10.100 1.00 0.00 O ATOM 69 CB ASP A 6 2.338 4.674 7.737 1.00 0.00 C ATOM 70 CG ASP A 6 1.357 4.952 6.587 1.00 0.00 C ATOM 71 OD1 ASP A 6 0.142 4.655 6.736 1.00 0.00 O ATOM 72 OD2 ASP A 6 1.769 5.435 5.502 1.00 0.00 O ATOM 0 H ASP A 6 3.231 7.063 8.198 1.00 0.00 H new ATOM 0 HA ASP A 6 1.031 5.470 9.216 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.355 4.841 7.381 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.266 3.623 8.016 1.00 0.00 H new ATOM 77 N CYS A 7 2.173 5.001 11.305 1.00 0.00 N ATOM 78 CA CYS A 7 2.607 4.463 12.597 1.00 0.00 C ATOM 79 C CYS A 7 3.579 3.336 12.484 1.00 0.00 C ATOM 80 O CYS A 7 3.298 2.294 11.907 1.00 0.00 O ATOM 81 CB CYS A 7 1.363 4.075 13.327 1.00 0.00 C ATOM 82 SG CYS A 7 0.174 5.471 13.393 1.00 0.00 S ATOM 0 H CYS A 7 1.221 5.365 11.345 1.00 0.00 H new ATOM 0 HA CYS A 7 3.166 5.221 13.146 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.899 3.221 12.833 1.00 0.00 H new ATOM 0 HB3 CYS A 7 1.615 3.760 14.339 1.00 0.00 H new ATOM 87 N GLY A 8 4.748 3.583 13.063 1.00 0.00 N ATOM 88 CA GLY A 8 5.845 2.678 13.000 1.00 0.00 C ATOM 89 C GLY A 8 5.706 1.599 14.016 1.00 0.00 C ATOM 90 O GLY A 8 6.455 0.627 14.003 1.00 0.00 O ATOM 0 H GLY A 8 4.944 4.433 13.591 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.902 2.239 12.004 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.777 3.219 13.164 1.00 0.00 H new ATOM 94 N GLU A 9 4.771 1.795 14.936 1.00 0.00 N ATOM 95 CA GLU A 9 4.427 0.810 15.873 1.00 0.00 C ATOM 96 C GLU A 9 3.746 -0.280 15.083 1.00 0.00 C ATOM 97 O GLU A 9 4.057 -1.447 15.230 1.00 0.00 O ATOM 98 CB GLU A 9 3.478 1.397 16.862 1.00 0.00 C ATOM 99 CG GLU A 9 3.928 2.670 17.557 1.00 0.00 C ATOM 100 CD GLU A 9 3.353 3.891 16.873 1.00 0.00 C ATOM 101 OE1 GLU A 9 3.763 4.184 15.721 1.00 0.00 O ATOM 102 OE2 GLU A 9 2.459 4.525 17.462 1.00 0.00 O ATOM 0 H GLU A 9 4.242 2.662 15.029 1.00 0.00 H new ATOM 0 HA GLU A 9 5.291 0.427 16.415 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.536 1.601 16.352 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.272 0.646 17.625 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.613 2.650 18.600 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.017 2.725 17.554 1.00 0.00 H new ATOM 109 N PHE A 10 2.763 0.165 14.256 1.00 0.00 N ATOM 110 CA PHE A 10 2.157 -0.668 13.147 1.00 0.00 C ATOM 111 C PHE A 10 1.710 -2.072 13.602 1.00 0.00 C ATOM 112 O PHE A 10 1.741 -3.038 12.853 1.00 0.00 O ATOM 113 CB PHE A 10 3.237 -0.829 12.151 1.00 0.00 C ATOM 114 CG PHE A 10 2.819 -1.248 10.757 1.00 0.00 C ATOM 115 CD1 PHE A 10 2.065 -0.396 9.968 1.00 0.00 C ATOM 116 CD2 PHE A 10 3.197 -2.478 10.235 1.00 0.00 C ATOM 117 CE1 PHE A 10 1.691 -0.762 8.694 1.00 0.00 C ATOM 118 CE2 PHE A 10 2.822 -2.849 8.960 1.00 0.00 C ATOM 119 CZ PHE A 10 2.068 -1.989 8.188 1.00 0.00 C ATOM 0 H PHE A 10 2.362 1.100 14.326 1.00 0.00 H new ATOM 0 HA PHE A 10 1.263 -0.170 12.771 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.774 0.116 12.076 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.943 -1.567 12.531 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.767 0.567 10.356 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.791 -3.152 10.834 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.102 -0.088 8.090 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.118 -3.810 8.567 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.773 -2.276 7.189 1.00 0.00 H new ATOM 129 N GLN A 11 1.282 -2.128 14.799 1.00 0.00 N ATOM 130 CA GLN A 11 0.788 -3.355 15.477 1.00 0.00 C ATOM 131 C GLN A 11 -0.164 -4.181 14.658 1.00 0.00 C ATOM 132 O GLN A 11 -0.233 -5.406 14.756 1.00 0.00 O ATOM 133 CB GLN A 11 0.127 -2.941 16.717 1.00 0.00 C ATOM 134 CG GLN A 11 1.069 -2.409 17.697 1.00 0.00 C ATOM 135 CD GLN A 11 2.000 -3.453 18.291 1.00 0.00 C ATOM 136 OE1 GLN A 11 3.057 -3.723 17.773 1.00 0.00 O ATOM 137 NE2 GLN A 11 1.620 -4.003 19.419 1.00 0.00 N ATOM 0 H GLN A 11 1.246 -1.305 15.400 1.00 0.00 H new ATOM 0 HA GLN A 11 1.651 -3.996 15.654 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.624 -2.184 16.490 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.399 -3.793 17.148 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.668 -1.630 17.224 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.509 -1.935 18.504 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.721 -3.753 19.831 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.224 -4.680 19.885 1.00 0.00 H new ATOM 146 N ASP A 12 -0.907 -3.494 13.941 1.00 0.00 N ATOM 147 CA ASP A 12 -1.823 -3.987 13.047 1.00 0.00 C ATOM 148 C ASP A 12 -1.756 -3.042 11.856 1.00 0.00 C ATOM 149 O ASP A 12 -1.115 -2.000 11.910 1.00 0.00 O ATOM 150 CB ASP A 12 -3.178 -3.915 13.701 1.00 0.00 C ATOM 151 CG ASP A 12 -4.282 -4.711 12.999 1.00 0.00 C ATOM 152 OD1 ASP A 12 -4.723 -4.314 11.911 1.00 0.00 O ATOM 153 OD2 ASP A 12 -4.704 -5.751 13.523 1.00 0.00 O ATOM 0 H ASP A 12 -0.891 -2.474 13.965 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.635 -5.017 12.743 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.089 -4.274 14.726 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.483 -2.870 13.755 1.00 0.00 H new ATOM 158 N THR A 13 -2.470 -3.348 10.884 1.00 0.00 N ATOM 159 CA THR A 13 -2.494 -2.653 9.645 1.00 0.00 C ATOM 160 C THR A 13 -3.500 -1.497 9.648 1.00 0.00 C ATOM 161 O THR A 13 -3.661 -0.786 8.654 1.00 0.00 O ATOM 162 CB THR A 13 -2.852 -3.641 8.554 1.00 0.00 C ATOM 163 OG1 THR A 13 -3.874 -4.564 9.033 1.00 0.00 O ATOM 164 CG2 THR A 13 -1.635 -4.403 8.078 1.00 0.00 C ATOM 0 H THR A 13 -3.109 -4.143 10.906 1.00 0.00 H new ATOM 0 HA THR A 13 -1.510 -2.218 9.472 1.00 0.00 H new ATOM 0 HB THR A 13 -3.245 -3.081 7.705 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.101 -5.199 8.322 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.927 -5.103 7.295 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.899 -3.703 7.682 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.200 -4.953 8.913 1.00 0.00 H new ATOM 172 N LYS A 14 -4.202 -1.351 10.749 1.00 0.00 N ATOM 173 CA LYS A 14 -5.163 -0.282 10.936 1.00 0.00 C ATOM 174 C LYS A 14 -4.450 0.872 11.605 1.00 0.00 C ATOM 175 O LYS A 14 -4.990 2.001 11.758 1.00 0.00 O ATOM 176 CB LYS A 14 -6.229 -0.773 11.882 1.00 0.00 C ATOM 177 CG LYS A 14 -6.768 -2.143 11.571 1.00 0.00 C ATOM 178 CD LYS A 14 -7.324 -2.283 10.166 1.00 0.00 C ATOM 179 CE LYS A 14 -7.672 -3.739 9.889 1.00 0.00 C ATOM 180 NZ LYS A 14 -6.480 -4.631 10.021 1.00 0.00 N ATOM 0 H LYS A 14 -4.122 -1.977 11.550 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.596 0.022 9.983 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.822 -0.779 12.893 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.056 -0.063 11.875 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.973 -2.875 11.711 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.553 -2.385 12.287 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.211 -1.660 10.053 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.592 -1.930 9.439 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.448 -4.065 10.582 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.084 -3.829 8.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.743 -5.603 9.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.724 -4.295 9.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.143 -4.617 11.005 1.00 0.00 H new ATOM 194 N VAL A 15 -3.247 0.582 11.994 1.00 0.00 N ATOM 195 CA VAL A 15 -2.414 1.478 12.738 1.00 0.00 C ATOM 196 C VAL A 15 -1.645 2.420 11.799 1.00 0.00 C ATOM 197 O VAL A 15 -0.494 2.210 11.461 1.00 0.00 O ATOM 198 CB VAL A 15 -1.453 0.691 13.668 1.00 0.00 C ATOM 199 CG1 VAL A 15 -0.701 1.589 14.613 1.00 0.00 C ATOM 200 CG2 VAL A 15 -2.206 -0.358 14.451 1.00 0.00 C ATOM 0 H VAL A 15 -2.802 -0.314 11.796 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.053 2.095 13.369 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.722 0.207 13.021 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.043 0.988 15.241 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.106 2.302 14.042 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.408 2.129 15.242 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.513 -0.898 15.096 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.971 0.123 15.061 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.679 -1.057 13.761 1.00 0.00 H new ATOM 210 N TYR A 16 -2.384 3.339 11.280 1.00 0.00 N ATOM 211 CA TYR A 16 -1.917 4.452 10.511 1.00 0.00 C ATOM 212 C TYR A 16 -2.711 5.631 11.016 1.00 0.00 C ATOM 213 O TYR A 16 -3.887 5.445 11.402 1.00 0.00 O ATOM 214 CB TYR A 16 -2.168 4.213 9.015 1.00 0.00 C ATOM 215 CG TYR A 16 -3.634 4.102 8.606 1.00 0.00 C ATOM 216 CD1 TYR A 16 -4.306 2.892 8.695 1.00 0.00 C ATOM 217 CD2 TYR A 16 -4.342 5.211 8.146 1.00 0.00 C ATOM 218 CE1 TYR A 16 -5.635 2.787 8.350 1.00 0.00 C ATOM 219 CE2 TYR A 16 -5.672 5.110 7.793 1.00 0.00 C ATOM 220 CZ TYR A 16 -6.313 3.896 7.900 1.00 0.00 C ATOM 221 OH TYR A 16 -7.638 3.791 7.574 1.00 0.00 O ATOM 0 H TYR A 16 -3.398 3.337 11.386 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.844 4.612 10.619 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.712 5.028 8.453 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.656 3.297 8.720 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.777 2.016 9.041 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.842 6.165 8.065 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.143 1.838 8.432 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.207 5.977 7.435 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.971 4.663 7.275 1.00 0.00 H new ATOM 231 N CYS A 17 -2.151 6.790 11.056 1.00 0.00 N ATOM 232 CA CYS A 17 -2.847 7.882 11.638 1.00 0.00 C ATOM 233 C CYS A 17 -3.278 8.936 10.650 1.00 0.00 C ATOM 234 O CYS A 17 -3.229 8.747 9.432 1.00 0.00 O ATOM 235 CB CYS A 17 -2.029 8.448 12.756 1.00 0.00 C ATOM 236 SG CYS A 17 -0.568 9.383 12.280 1.00 0.00 S ATOM 0 H CYS A 17 -1.221 7.005 10.696 1.00 0.00 H new ATOM 0 HA CYS A 17 -3.786 7.497 12.036 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.670 9.095 13.355 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.715 7.627 13.400 1.00 0.00 H new ATOM 241 N THR A 18 -3.769 9.994 11.209 1.00 0.00 N ATOM 242 CA THR A 18 -4.320 11.109 10.525 1.00 0.00 C ATOM 243 C THR A 18 -3.296 12.078 9.965 1.00 0.00 C ATOM 244 O THR A 18 -2.100 11.939 10.109 1.00 0.00 O ATOM 245 CB THR A 18 -5.178 11.878 11.529 1.00 0.00 C ATOM 246 OG1 THR A 18 -4.481 11.921 12.810 1.00 0.00 O ATOM 247 CG2 THR A 18 -6.498 11.215 11.705 1.00 0.00 C ATOM 0 H THR A 18 -3.795 10.105 12.223 1.00 0.00 H new ATOM 0 HA THR A 18 -4.875 10.715 9.674 1.00 0.00 H new ATOM 0 HB THR A 18 -5.345 12.889 11.156 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.039 12.789 12.913 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.095 11.777 12.423 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.019 11.182 10.748 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.349 10.200 12.073 1.00 0.00 H new ATOM 255 N ARG A 19 -3.817 12.987 9.243 1.00 0.00 N ATOM 256 CA ARG A 19 -3.127 14.186 8.817 1.00 0.00 C ATOM 257 C ARG A 19 -3.967 15.379 9.265 1.00 0.00 C ATOM 258 O ARG A 19 -3.552 16.529 9.216 1.00 0.00 O ATOM 259 CB ARG A 19 -2.849 14.208 7.280 1.00 0.00 C ATOM 260 CG ARG A 19 -3.713 13.269 6.419 1.00 0.00 C ATOM 261 CD ARG A 19 -3.280 11.799 6.605 1.00 0.00 C ATOM 262 NE ARG A 19 -3.890 10.811 5.687 1.00 0.00 N ATOM 263 CZ ARG A 19 -5.179 10.411 5.663 1.00 0.00 C ATOM 264 NH1 ARG A 19 -6.159 11.164 6.153 1.00 0.00 N ATOM 265 NH2 ARG A 19 -5.478 9.259 5.059 1.00 0.00 N ATOM 0 H ARG A 19 -4.778 12.936 8.905 1.00 0.00 H new ATOM 0 HA ARG A 19 -2.140 14.224 9.278 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.989 15.228 6.921 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.801 13.954 7.118 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.762 13.381 6.692 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.626 13.548 5.369 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.197 11.745 6.494 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.510 11.502 7.628 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.269 10.386 4.998 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.947 12.074 6.563 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.123 10.832 6.119 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.740 8.702 4.629 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.445 8.935 5.028 1.00 0.00 H new ATOM 279 N GLU A 20 -5.164 15.042 9.692 1.00 0.00 N ATOM 280 CA GLU A 20 -6.148 15.921 10.204 1.00 0.00 C ATOM 281 C GLU A 20 -5.954 16.093 11.736 1.00 0.00 C ATOM 282 O GLU A 20 -5.014 15.558 12.325 1.00 0.00 O ATOM 283 CB GLU A 20 -7.534 15.296 9.946 1.00 0.00 C ATOM 284 CG GLU A 20 -7.873 14.903 8.485 1.00 0.00 C ATOM 285 CD GLU A 20 -7.034 13.744 7.930 1.00 0.00 C ATOM 286 OE1 GLU A 20 -6.515 12.912 8.727 1.00 0.00 O ATOM 287 OE2 GLU A 20 -6.862 13.650 6.722 1.00 0.00 O ATOM 0 H GLU A 20 -5.481 14.072 9.682 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.064 16.893 9.719 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.623 14.403 10.565 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.291 16.000 10.291 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.927 14.631 8.430 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.734 15.775 7.846 1.00 0.00 H new ATOM 294 N SER A 21 -6.900 16.767 12.366 1.00 0.00 N ATOM 295 CA SER A 21 -6.840 17.111 13.792 1.00 0.00 C ATOM 296 C SER A 21 -7.984 16.416 14.532 1.00 0.00 C ATOM 297 O SER A 21 -8.436 16.857 15.579 1.00 0.00 O ATOM 298 CB SER A 21 -7.055 18.581 13.874 1.00 0.00 C ATOM 299 OG SER A 21 -6.898 19.083 15.188 1.00 0.00 O ATOM 0 H SER A 21 -7.746 17.099 11.903 1.00 0.00 H new ATOM 0 HA SER A 21 -5.890 16.807 14.232 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.352 19.085 13.211 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.057 18.818 13.516 1.00 0.00 H new ATOM 0 HG SER A 21 -7.399 18.521 15.815 1.00 0.00 H new ATOM 305 N ASN A 22 -8.422 15.384 13.929 1.00 0.00 N ATOM 306 CA ASN A 22 -9.550 14.512 14.382 1.00 0.00 C ATOM 307 C ASN A 22 -9.339 13.936 15.775 1.00 0.00 C ATOM 308 O ASN A 22 -8.620 12.969 15.912 1.00 0.00 O ATOM 309 CB ASN A 22 -9.727 13.334 13.413 1.00 0.00 C ATOM 310 CG ASN A 22 -10.280 13.744 12.059 1.00 0.00 C ATOM 311 OD1 ASN A 22 -10.104 14.869 11.612 1.00 0.00 O ATOM 312 ND2 ASN A 22 -10.932 12.830 11.389 1.00 0.00 N ATOM 0 H ASN A 22 -8.014 15.064 13.051 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.433 15.151 14.403 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.764 12.843 13.270 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.396 12.600 13.863 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.310 13.046 10.467 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.062 11.901 11.789 1.00 0.00 H new ATOM 319 N PRO A 23 -9.994 14.480 16.818 1.00 0.00 N ATOM 320 CA PRO A 23 -9.800 14.005 18.177 1.00 0.00 C ATOM 321 C PRO A 23 -10.528 12.685 18.417 1.00 0.00 C ATOM 322 O PRO A 23 -11.571 12.408 17.798 1.00 0.00 O ATOM 323 CB PRO A 23 -10.373 15.123 19.061 1.00 0.00 C ATOM 324 CG PRO A 23 -10.886 16.179 18.124 1.00 0.00 C ATOM 325 CD PRO A 23 -10.985 15.552 16.760 1.00 0.00 C ATOM 0 HA PRO A 23 -8.751 13.802 18.393 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.174 14.745 19.696 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.606 15.528 19.721 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.859 16.544 18.451 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.214 17.037 18.105 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.986 15.166 16.565 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.759 16.268 15.969 1.00 0.00 H new ATOM 333 N HIS A 24 -10.014 11.893 19.321 1.00 0.00 N ATOM 334 CA HIS A 24 -10.512 10.561 19.554 1.00 0.00 C ATOM 335 C HIS A 24 -10.346 10.188 20.974 1.00 0.00 C ATOM 336 O HIS A 24 -9.269 10.330 21.554 1.00 0.00 O ATOM 337 CB HIS A 24 -9.729 9.534 18.724 1.00 0.00 C ATOM 338 CG HIS A 24 -9.845 9.635 17.221 1.00 0.00 C ATOM 339 ND1 HIS A 24 -11.033 9.571 16.528 1.00 0.00 N ATOM 340 CD2 HIS A 24 -8.883 9.778 16.286 1.00 0.00 C ATOM 341 CE1 HIS A 24 -10.760 9.667 15.226 1.00 0.00 C ATOM 342 NE2 HIS A 24 -9.466 9.794 15.019 1.00 0.00 N ATOM 0 H HIS A 24 -9.232 12.155 19.921 1.00 0.00 H new ATOM 0 HA HIS A 24 -11.565 10.558 19.273 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.675 9.617 18.989 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -10.055 8.538 19.023 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -7.826 9.866 16.487 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -11.504 9.644 14.443 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -8.990 9.885 14.121 1.00 0.00 H new ATOM 350 N CYS A 25 -11.402 9.742 21.520 1.00 0.00 N ATOM 351 CA CYS A 25 -11.399 9.124 22.800 1.00 0.00 C ATOM 352 C CYS A 25 -11.513 7.671 22.497 1.00 0.00 C ATOM 353 O CYS A 25 -12.605 7.181 22.148 1.00 0.00 O ATOM 354 CB CYS A 25 -12.575 9.545 23.661 1.00 0.00 C ATOM 355 SG CYS A 25 -12.439 8.961 25.402 1.00 0.00 S ATOM 0 H CYS A 25 -12.324 9.792 21.086 1.00 0.00 H new ATOM 0 HA CYS A 25 -10.506 9.400 23.361 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -12.653 10.632 23.653 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -13.495 9.157 23.224 1.00 0.00 H new ATOM 360 N GLY A 26 -10.420 6.985 22.566 1.00 0.00 N ATOM 361 CA GLY A 26 -10.387 5.650 22.123 1.00 0.00 C ATOM 362 C GLY A 26 -10.994 4.731 23.087 1.00 0.00 C ATOM 363 O GLY A 26 -11.300 5.115 24.215 1.00 0.00 O ATOM 0 H GLY A 26 -9.536 7.340 22.930 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.911 5.572 21.170 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.353 5.354 21.943 1.00 0.00 H new ATOM 367 N SER A 27 -11.184 3.517 22.672 1.00 0.00 N ATOM 368 CA SER A 27 -11.695 2.494 23.547 1.00 0.00 C ATOM 369 C SER A 27 -10.655 2.139 24.640 1.00 0.00 C ATOM 370 O SER A 27 -10.932 1.376 25.547 1.00 0.00 O ATOM 371 CB SER A 27 -12.125 1.262 22.758 1.00 0.00 C ATOM 372 OG SER A 27 -13.076 1.624 21.770 1.00 0.00 O ATOM 0 H SER A 27 -10.992 3.202 21.721 1.00 0.00 H new ATOM 0 HA SER A 27 -12.582 2.883 24.047 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.257 0.801 22.287 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.553 0.520 23.432 1.00 0.00 H new ATOM 0 HG SER A 27 -13.345 0.827 21.267 1.00 0.00 H new ATOM 378 N ASP A 28 -9.463 2.760 24.521 1.00 0.00 N ATOM 379 CA ASP A 28 -8.380 2.662 25.485 1.00 0.00 C ATOM 380 C ASP A 28 -8.701 3.570 26.631 1.00 0.00 C ATOM 381 O ASP A 28 -8.025 3.606 27.649 1.00 0.00 O ATOM 382 CB ASP A 28 -7.051 3.068 24.821 1.00 0.00 C ATOM 383 CG ASP A 28 -5.828 2.612 25.596 1.00 0.00 C ATOM 384 OD1 ASP A 28 -5.477 1.425 25.513 1.00 0.00 O ATOM 385 OD2 ASP A 28 -5.162 3.427 26.269 1.00 0.00 O ATOM 0 H ASP A 28 -9.235 3.356 23.725 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.274 1.638 25.844 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.012 2.649 23.816 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.022 4.153 24.716 1.00 0.00 H new ATOM 390 N GLY A 29 -9.750 4.341 26.431 1.00 0.00 N ATOM 391 CA GLY A 29 -10.203 5.258 27.416 1.00 0.00 C ATOM 392 C GLY A 29 -9.614 6.588 27.171 1.00 0.00 C ATOM 393 O GLY A 29 -10.213 7.621 27.462 1.00 0.00 O ATOM 0 H GLY A 29 -10.303 4.338 25.574 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.291 5.322 27.393 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.926 4.905 28.409 1.00 0.00 H new ATOM 397 N GLN A 30 -8.450 6.559 26.600 1.00 0.00 N ATOM 398 CA GLN A 30 -7.707 7.746 26.357 1.00 0.00 C ATOM 399 C GLN A 30 -8.190 8.595 25.253 1.00 0.00 C ATOM 400 O GLN A 30 -8.669 8.124 24.228 1.00 0.00 O ATOM 401 CB GLN A 30 -6.268 7.463 26.192 1.00 0.00 C ATOM 402 CG GLN A 30 -5.721 6.997 27.450 1.00 0.00 C ATOM 403 CD GLN A 30 -4.231 6.749 27.391 1.00 0.00 C ATOM 404 OE1 GLN A 30 -3.429 7.642 27.653 1.00 0.00 O ATOM 405 NE2 GLN A 30 -3.836 5.567 27.029 1.00 0.00 N ATOM 0 H GLN A 30 -7.990 5.703 26.289 1.00 0.00 H new ATOM 0 HA GLN A 30 -7.870 8.336 27.259 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.121 6.710 25.418 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.745 8.362 25.866 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.931 7.733 28.226 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.226 6.076 27.740 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.522 4.843 26.817 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.839 5.362 26.957 1.00 0.00 H new ATOM 414 N THR A 31 -8.036 9.851 25.473 1.00 0.00 N ATOM 415 CA THR A 31 -8.357 10.837 24.487 1.00 0.00 C ATOM 416 C THR A 31 -7.095 11.437 23.962 1.00 0.00 C ATOM 417 O THR A 31 -6.205 11.809 24.725 1.00 0.00 O ATOM 418 CB THR A 31 -9.258 11.980 25.007 1.00 0.00 C ATOM 419 OG1 THR A 31 -10.518 11.458 25.472 1.00 0.00 O ATOM 420 CG2 THR A 31 -9.497 13.021 23.884 1.00 0.00 C ATOM 0 H THR A 31 -7.681 10.234 26.349 1.00 0.00 H new ATOM 0 HA THR A 31 -8.918 10.316 23.711 1.00 0.00 H new ATOM 0 HB THR A 31 -8.754 12.466 25.842 1.00 0.00 H new ATOM 0 HG1 THR A 31 -10.615 10.528 25.178 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.133 13.822 24.260 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.542 13.436 23.563 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.985 12.538 23.038 1.00 0.00 H new ATOM 428 N TYR A 32 -7.007 11.505 22.681 1.00 0.00 N ATOM 429 CA TYR A 32 -5.927 12.127 22.047 1.00 0.00 C ATOM 430 C TYR A 32 -6.448 13.115 21.030 1.00 0.00 C ATOM 431 O TYR A 32 -7.557 12.959 20.503 1.00 0.00 O ATOM 432 CB TYR A 32 -5.007 11.115 21.413 1.00 0.00 C ATOM 433 CG TYR A 32 -4.291 10.198 22.393 1.00 0.00 C ATOM 434 CD1 TYR A 32 -3.157 10.625 23.074 1.00 0.00 C ATOM 435 CD2 TYR A 32 -4.737 8.908 22.616 1.00 0.00 C ATOM 436 CE1 TYR A 32 -2.493 9.785 23.949 1.00 0.00 C ATOM 437 CE2 TYR A 32 -4.077 8.062 23.478 1.00 0.00 C ATOM 438 CZ TYR A 32 -2.956 8.502 24.142 1.00 0.00 C ATOM 439 OH TYR A 32 -2.291 7.650 25.006 1.00 0.00 O ATOM 0 H TYR A 32 -7.703 11.119 22.043 1.00 0.00 H new ATOM 0 HA TYR A 32 -5.338 12.664 22.791 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -5.586 10.503 20.721 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.260 11.645 20.822 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.789 11.628 22.917 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.621 8.558 22.104 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.617 10.132 24.477 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.438 7.056 23.632 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.283 8.038 25.906 1.00 0.00 H new ATOM 449 N GLY A 33 -5.656 14.133 20.807 1.00 0.00 N ATOM 450 CA GLY A 33 -5.979 15.238 19.900 1.00 0.00 C ATOM 451 C GLY A 33 -6.256 14.840 18.454 1.00 0.00 C ATOM 452 O GLY A 33 -6.924 15.563 17.754 1.00 0.00 O ATOM 0 H GLY A 33 -4.745 14.232 21.255 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.853 15.761 20.289 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.152 15.948 19.911 1.00 0.00 H new ATOM 456 N ASN A 34 -5.703 13.728 18.008 1.00 0.00 N ATOM 457 CA ASN A 34 -5.950 13.210 16.663 1.00 0.00 C ATOM 458 C ASN A 34 -5.502 11.780 16.593 1.00 0.00 C ATOM 459 O ASN A 34 -4.901 11.287 17.557 1.00 0.00 O ATOM 460 CB ASN A 34 -5.330 14.057 15.523 1.00 0.00 C ATOM 461 CG ASN A 34 -3.851 14.281 15.685 1.00 0.00 C ATOM 462 OD1 ASN A 34 -3.050 13.451 15.305 1.00 0.00 O ATOM 463 ND2 ASN A 34 -3.480 15.418 16.220 1.00 0.00 N ATOM 0 H ASN A 34 -5.069 13.153 18.563 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.025 13.275 16.493 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.513 13.561 14.570 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.834 15.022 15.481 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.488 15.631 16.329 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.183 16.090 16.527 1.00 0.00 H new ATOM 470 N LYS A 35 -5.766 11.094 15.480 1.00 0.00 N ATOM 471 CA LYS A 35 -5.441 9.658 15.392 1.00 0.00 C ATOM 472 C LYS A 35 -3.973 9.375 15.518 1.00 0.00 C ATOM 473 O LYS A 35 -3.590 8.349 15.964 1.00 0.00 O ATOM 474 CB LYS A 35 -5.966 8.990 14.158 1.00 0.00 C ATOM 475 CG LYS A 35 -5.978 7.457 14.270 1.00 0.00 C ATOM 476 CD LYS A 35 -6.394 6.752 12.992 1.00 0.00 C ATOM 477 CE LYS A 35 -6.369 5.232 13.195 1.00 0.00 C ATOM 478 NZ LYS A 35 -6.431 4.490 11.911 1.00 0.00 N ATOM 0 H LYS A 35 -6.193 11.491 14.643 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.956 9.229 16.252 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.978 9.343 13.962 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.355 9.283 13.304 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.983 7.115 14.555 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.657 7.166 15.072 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.395 7.071 12.701 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.722 7.029 12.180 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.460 4.954 13.729 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.210 4.938 13.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.242 3.482 12.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.377 4.598 11.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.718 4.869 11.256 1.00 0.00 H new ATOM 492 N CYS A 36 -3.202 10.252 15.058 1.00 0.00 N ATOM 493 CA CYS A 36 -1.718 10.182 15.207 1.00 0.00 C ATOM 494 C CYS A 36 -1.311 10.098 16.627 1.00 0.00 C ATOM 495 O CYS A 36 -0.462 9.315 17.017 1.00 0.00 O ATOM 496 CB CYS A 36 -1.070 11.353 14.547 1.00 0.00 C ATOM 497 SG CYS A 36 -1.051 11.304 12.746 1.00 0.00 S ATOM 0 H CYS A 36 -3.528 11.075 14.550 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.383 9.269 14.715 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.585 12.260 14.865 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.043 11.428 14.903 1.00 0.00 H new ATOM 502 N ALA A 37 -1.990 10.832 17.387 1.00 0.00 N ATOM 503 CA ALA A 37 -1.752 10.905 18.796 1.00 0.00 C ATOM 504 C ALA A 37 -2.320 9.645 19.457 1.00 0.00 C ATOM 505 O ALA A 37 -1.732 9.074 20.359 1.00 0.00 O ATOM 506 CB ALA A 37 -2.420 12.148 19.308 1.00 0.00 C ATOM 0 H ALA A 37 -2.754 11.425 17.063 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.688 10.954 19.026 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.257 12.233 20.382 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.999 13.020 18.807 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.490 12.095 19.107 1.00 0.00 H new ATOM 512 N PHE A 38 -3.455 9.216 18.956 1.00 0.00 N ATOM 513 CA PHE A 38 -4.151 8.018 19.431 1.00 0.00 C ATOM 514 C PHE A 38 -3.560 6.722 18.823 1.00 0.00 C ATOM 515 O PHE A 38 -3.891 5.633 19.248 1.00 0.00 O ATOM 516 CB PHE A 38 -5.680 8.162 19.120 1.00 0.00 C ATOM 517 CG PHE A 38 -6.552 6.958 19.410 1.00 0.00 C ATOM 518 CD1 PHE A 38 -6.502 6.306 20.634 1.00 0.00 C ATOM 519 CD2 PHE A 38 -7.424 6.483 18.443 1.00 0.00 C ATOM 520 CE1 PHE A 38 -7.290 5.204 20.879 1.00 0.00 C ATOM 521 CE2 PHE A 38 -8.220 5.383 18.686 1.00 0.00 C ATOM 522 CZ PHE A 38 -8.151 4.741 19.901 1.00 0.00 C ATOM 0 H PHE A 38 -3.938 9.690 18.193 1.00 0.00 H new ATOM 0 HA PHE A 38 -4.011 7.932 20.509 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -6.065 9.006 19.692 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.790 8.415 18.065 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -5.837 6.668 21.404 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -7.481 6.981 17.486 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -7.236 4.702 21.834 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -8.897 5.026 17.924 1.00 0.00 H new ATOM 0 HZ PHE A 38 -8.769 3.876 20.091 1.00 0.00 H new ATOM 532 N CYS A 39 -2.634 6.848 17.900 1.00 0.00 N ATOM 533 CA CYS A 39 -2.142 5.696 17.158 1.00 0.00 C ATOM 534 C CYS A 39 -1.454 4.725 18.055 1.00 0.00 C ATOM 535 O CYS A 39 -1.755 3.557 18.031 1.00 0.00 O ATOM 536 CB CYS A 39 -1.254 6.100 15.991 1.00 0.00 C ATOM 537 SG CYS A 39 -1.271 4.864 14.656 1.00 0.00 S ATOM 0 H CYS A 39 -2.202 7.735 17.641 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.013 5.197 16.734 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.587 7.061 15.599 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.232 6.237 16.344 1.00 0.00 H new ATOM 542 N LYS A 40 -0.671 5.247 18.955 1.00 0.00 N ATOM 543 CA LYS A 40 0.129 4.515 19.866 1.00 0.00 C ATOM 544 C LYS A 40 -0.652 3.824 20.936 1.00 0.00 C ATOM 545 O LYS A 40 -0.143 3.028 21.724 1.00 0.00 O ATOM 546 CB LYS A 40 1.111 5.440 20.459 1.00 0.00 C ATOM 547 CG LYS A 40 0.627 6.846 20.903 1.00 0.00 C ATOM 548 CD LYS A 40 -0.312 6.846 22.118 1.00 0.00 C ATOM 549 CE LYS A 40 0.376 6.517 23.463 1.00 0.00 C ATOM 550 NZ LYS A 40 0.970 5.145 23.530 1.00 0.00 N ATOM 0 H LYS A 40 -0.576 6.256 19.071 1.00 0.00 H new ATOM 0 HA LYS A 40 0.622 3.717 19.310 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.546 4.949 21.329 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.915 5.579 19.736 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.498 7.459 21.134 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.116 7.321 20.066 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.784 7.826 22.196 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.108 6.122 21.945 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.162 7.250 23.645 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.353 6.625 24.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.885 4.777 24.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.464 4.515 22.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.974 5.188 23.263 1.00 0.00 H new ATOM 564 N ALA A 41 -1.770 4.266 21.052 1.00 0.00 N ATOM 565 CA ALA A 41 -2.754 3.711 21.903 1.00 0.00 C ATOM 566 C ALA A 41 -3.504 2.640 21.204 1.00 0.00 C ATOM 567 O ALA A 41 -4.011 1.772 21.818 1.00 0.00 O ATOM 568 CB ALA A 41 -3.687 4.706 22.225 1.00 0.00 C ATOM 0 H ALA A 41 -2.096 5.085 20.538 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.255 3.313 22.787 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.451 4.290 22.881 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.182 5.528 22.732 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.155 5.075 21.312 1.00 0.00 H new ATOM 574 N ILE A 42 -3.582 2.706 19.912 1.00 0.00 N ATOM 575 CA ILE A 42 -4.221 1.630 19.166 1.00 0.00 C ATOM 576 C ILE A 42 -3.285 0.481 19.231 1.00 0.00 C ATOM 577 O ILE A 42 -3.646 -0.694 19.392 1.00 0.00 O ATOM 578 CB ILE A 42 -4.409 2.136 17.767 1.00 0.00 C ATOM 579 CG1 ILE A 42 -5.512 3.101 17.812 1.00 0.00 C ATOM 580 CG2 ILE A 42 -4.636 1.044 16.793 1.00 0.00 C ATOM 581 CD1 ILE A 42 -5.445 4.115 16.753 1.00 0.00 C ATOM 0 H ILE A 42 -3.222 3.474 19.345 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.192 1.320 19.554 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.500 2.621 17.411 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.457 2.565 17.731 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.510 3.599 18.782 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.766 1.466 15.797 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.778 0.372 16.793 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.532 0.489 17.071 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.291 4.795 16.847 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.516 4.677 16.846 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.478 3.627 15.779 1.00 0.00 H new ATOM 593 N VAL A 43 -2.083 0.881 19.179 1.00 0.00 N ATOM 594 CA VAL A 43 -0.923 0.066 19.390 1.00 0.00 C ATOM 595 C VAL A 43 -0.998 -0.669 20.730 1.00 0.00 C ATOM 596 O VAL A 43 -0.579 -1.831 20.814 1.00 0.00 O ATOM 597 CB VAL A 43 0.312 0.958 19.348 1.00 0.00 C ATOM 598 CG1 VAL A 43 1.610 0.219 19.664 1.00 0.00 C ATOM 599 CG2 VAL A 43 0.373 1.635 18.010 1.00 0.00 C ATOM 0 H VAL A 43 -1.846 1.852 18.975 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.869 -0.688 18.605 1.00 0.00 H new ATOM 0 HB VAL A 43 0.215 1.702 20.139 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.447 0.916 19.616 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.551 -0.208 20.665 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.760 -0.579 18.937 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.253 2.277 17.967 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.434 0.882 17.224 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.523 2.238 17.866 1.00 0.00 H new ATOM 609 N LYS A 44 -1.626 -0.014 21.735 1.00 0.00 N ATOM 610 CA LYS A 44 -1.751 -0.577 23.119 1.00 0.00 C ATOM 611 C LYS A 44 -2.233 -2.018 23.153 1.00 0.00 C ATOM 612 O LYS A 44 -1.736 -2.826 23.925 1.00 0.00 O ATOM 613 CB LYS A 44 -2.717 0.253 23.931 1.00 0.00 C ATOM 614 CG LYS A 44 -2.148 1.475 24.646 1.00 0.00 C ATOM 615 CD LYS A 44 -1.444 1.113 25.954 1.00 0.00 C ATOM 616 CE LYS A 44 -2.395 0.437 26.968 1.00 0.00 C ATOM 617 NZ LYS A 44 -3.609 1.250 27.267 1.00 0.00 N ATOM 0 H LYS A 44 -2.056 0.904 21.623 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.745 -0.550 23.537 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.515 0.589 23.269 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.175 -0.395 24.679 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.444 1.983 23.987 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.954 2.179 24.854 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.610 0.445 25.741 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.024 2.015 26.399 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.702 -0.533 26.577 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.853 0.250 27.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.886 1.108 28.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.401 2.256 27.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.387 0.954 26.644 1.00 0.00 H new ATOM 631 N SER A 45 -3.200 -2.318 22.359 1.00 0.00 N ATOM 632 CA SER A 45 -3.728 -3.672 22.322 1.00 0.00 C ATOM 633 C SER A 45 -3.699 -4.280 20.919 1.00 0.00 C ATOM 634 O SER A 45 -4.515 -5.128 20.574 1.00 0.00 O ATOM 635 CB SER A 45 -5.115 -3.729 22.946 1.00 0.00 C ATOM 636 OG SER A 45 -5.070 -3.206 24.262 1.00 0.00 O ATOM 0 H SER A 45 -3.652 -1.661 21.723 1.00 0.00 H new ATOM 0 HA SER A 45 -3.066 -4.293 22.925 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.820 -3.158 22.342 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.473 -4.758 22.966 1.00 0.00 H new ATOM 0 HG SER A 45 -5.965 -3.243 24.660 1.00 0.00 H new ATOM 642 N GLY A 46 -2.746 -3.864 20.116 1.00 0.00 N ATOM 643 CA GLY A 46 -2.530 -4.520 18.898 1.00 0.00 C ATOM 644 C GLY A 46 -3.298 -4.048 17.740 1.00 0.00 C ATOM 645 O GLY A 46 -3.583 -4.835 16.851 1.00 0.00 O ATOM 0 H GLY A 46 -2.125 -3.077 20.304 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.470 -4.443 18.655 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.748 -5.578 19.040 1.00 0.00 H new ATOM 649 N GLY A 47 -3.687 -2.832 17.747 1.00 0.00 N ATOM 650 CA GLY A 47 -4.466 -2.310 16.651 1.00 0.00 C ATOM 651 C GLY A 47 -5.912 -2.684 16.774 1.00 0.00 C ATOM 652 O GLY A 47 -6.741 -2.227 16.017 1.00 0.00 O ATOM 0 H GLY A 47 -3.488 -2.164 18.492 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.372 -1.224 16.622 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.070 -2.690 15.709 1.00 0.00 H new ATOM 656 N LYS A 48 -6.186 -3.552 17.725 1.00 0.00 N ATOM 657 CA LYS A 48 -7.515 -4.045 17.971 1.00 0.00 C ATOM 658 C LYS A 48 -8.449 -3.017 18.624 1.00 0.00 C ATOM 659 O LYS A 48 -9.665 -3.172 18.592 1.00 0.00 O ATOM 660 CB LYS A 48 -7.410 -5.291 18.815 1.00 0.00 C ATOM 661 CG LYS A 48 -6.468 -6.353 18.218 1.00 0.00 C ATOM 662 CD LYS A 48 -6.860 -6.703 16.789 1.00 0.00 C ATOM 663 CE LYS A 48 -5.895 -7.701 16.144 1.00 0.00 C ATOM 664 NZ LYS A 48 -4.608 -7.074 15.744 1.00 0.00 N ATOM 0 H LYS A 48 -5.481 -3.936 18.353 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.971 -4.266 17.006 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.056 -5.019 19.809 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.403 -5.724 18.937 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.443 -5.983 18.235 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.493 -7.252 18.834 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.867 -7.121 16.784 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.890 -5.793 16.190 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.697 -8.514 16.843 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.368 -8.143 15.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.882 -7.811 15.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.732 -6.573 14.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.309 -6.399 16.476 1.00 0.00 H new ATOM 678 N ILE A 49 -7.884 -2.007 19.238 1.00 0.00 N ATOM 679 CA ILE A 49 -8.679 -0.967 19.887 1.00 0.00 C ATOM 680 C ILE A 49 -9.407 -0.108 18.852 1.00 0.00 C ATOM 681 O ILE A 49 -8.932 0.091 17.743 1.00 0.00 O ATOM 682 CB ILE A 49 -7.777 -0.102 20.777 1.00 0.00 C ATOM 683 CG1 ILE A 49 -7.060 -1.019 21.730 1.00 0.00 C ATOM 684 CG2 ILE A 49 -8.570 0.958 21.559 1.00 0.00 C ATOM 685 CD1 ILE A 49 -6.016 -0.349 22.521 1.00 0.00 C ATOM 0 H ILE A 49 -6.875 -1.873 19.308 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.435 -1.444 20.510 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.073 0.441 20.146 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.788 -1.465 22.408 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.609 -1.835 21.165 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.886 1.544 22.174 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.084 1.617 20.860 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.302 0.466 22.199 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.543 -1.072 23.185 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.267 0.073 21.851 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.464 0.449 23.113 1.00 0.00 H new ATOM 697 N SER A 50 -10.530 0.410 19.245 1.00 0.00 N ATOM 698 CA SER A 50 -11.378 1.164 18.389 1.00 0.00 C ATOM 699 C SER A 50 -11.627 2.495 19.051 1.00 0.00 C ATOM 700 O SER A 50 -11.009 2.808 20.080 1.00 0.00 O ATOM 701 CB SER A 50 -12.688 0.399 18.196 1.00 0.00 C ATOM 702 OG SER A 50 -12.434 -0.922 17.750 1.00 0.00 O ATOM 0 H SER A 50 -10.887 0.315 20.196 1.00 0.00 H new ATOM 0 HA SER A 50 -10.924 1.322 17.411 1.00 0.00 H new ATOM 0 HB2 SER A 50 -13.241 0.371 19.135 1.00 0.00 H new ATOM 0 HB3 SER A 50 -13.315 0.919 17.472 1.00 0.00 H new ATOM 0 HG SER A 50 -13.283 -1.397 17.634 1.00 0.00 H new ATOM 708 N LEU A 51 -12.435 3.300 18.463 1.00 0.00 N ATOM 709 CA LEU A 51 -12.786 4.477 18.970 1.00 0.00 C ATOM 710 C LEU A 51 -14.114 4.466 19.705 1.00 0.00 C ATOM 711 O LEU A 51 -15.044 3.791 19.299 1.00 0.00 O ATOM 712 CB LEU A 51 -12.934 5.392 17.878 1.00 0.00 C ATOM 713 CG LEU A 51 -13.207 6.699 18.364 1.00 0.00 C ATOM 714 CD1 LEU A 51 -12.015 7.165 19.055 1.00 0.00 C ATOM 715 CD2 LEU A 51 -13.647 7.546 17.319 1.00 0.00 C ATOM 0 H LEU A 51 -12.868 3.096 17.562 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.011 4.753 19.686 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.024 5.402 17.277 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.743 5.063 17.226 1.00 0.00 H new ATOM 0 HG LEU A 51 -14.032 6.700 19.077 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -12.188 8.169 19.443 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.786 6.491 19.881 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -11.176 7.185 18.360 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.849 8.540 17.717 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.873 7.612 16.554 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -14.558 7.139 16.880 1.00 0.00 H new ATOM 727 N LYS A 52 -14.165 5.191 20.804 1.00 0.00 N ATOM 728 CA LYS A 52 -15.431 5.456 21.438 1.00 0.00 C ATOM 729 C LYS A 52 -15.997 6.753 20.959 1.00 0.00 C ATOM 730 O LYS A 52 -17.139 6.840 20.552 1.00 0.00 O ATOM 731 CB LYS A 52 -15.326 5.542 22.924 1.00 0.00 C ATOM 732 CG LYS A 52 -14.453 4.522 23.512 1.00 0.00 C ATOM 733 CD LYS A 52 -14.531 4.426 25.057 1.00 0.00 C ATOM 734 CE LYS A 52 -14.068 5.692 25.797 1.00 0.00 C ATOM 735 NZ LYS A 52 -15.039 6.816 25.709 1.00 0.00 N ATOM 0 H LYS A 52 -13.354 5.600 21.268 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.075 4.618 21.172 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.952 6.529 23.197 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.322 5.448 23.356 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -14.710 3.552 23.086 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -13.423 4.733 23.225 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.560 4.208 25.344 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.923 3.584 25.388 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -13.899 5.449 26.846 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.111 6.015 25.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.558 7.663 25.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.815 6.555 25.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -15.424 7.017 26.654 1.00 0.00 H new ATOM 749 N HIS A 53 -15.192 7.749 21.017 1.00 0.00 N ATOM 750 CA HIS A 53 -15.704 9.114 20.762 1.00 0.00 C ATOM 751 C HIS A 53 -14.935 9.835 19.705 1.00 0.00 C ATOM 752 O HIS A 53 -13.696 9.851 19.741 1.00 0.00 O ATOM 753 CB HIS A 53 -15.649 10.041 22.009 1.00 0.00 C ATOM 754 CG HIS A 53 -16.458 9.673 23.223 1.00 0.00 C ATOM 755 ND1 HIS A 53 -16.767 10.577 24.214 1.00 0.00 N ATOM 756 CD2 HIS A 53 -16.954 8.487 23.639 1.00 0.00 C ATOM 757 CE1 HIS A 53 -17.417 9.933 25.181 1.00 0.00 C ATOM 758 NE2 HIS A 53 -17.555 8.645 24.881 1.00 0.00 N ATOM 0 H HIS A 53 -14.196 7.687 21.230 1.00 0.00 H new ATOM 0 HA HIS A 53 -16.734 8.934 20.456 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -14.606 10.117 22.318 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -15.961 11.037 21.694 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -16.537 11.571 24.208 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -16.893 7.559 23.090 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -17.783 10.394 26.086 1.00 0.00 H new ATOM 766 N PRO A 54 -15.630 10.414 18.726 1.00 0.00 N ATOM 767 CA PRO A 54 -15.039 11.409 17.875 1.00 0.00 C ATOM 768 C PRO A 54 -15.024 12.693 18.702 1.00 0.00 C ATOM 769 O PRO A 54 -16.070 13.270 18.997 1.00 0.00 O ATOM 770 CB PRO A 54 -16.024 11.532 16.690 1.00 0.00 C ATOM 771 CG PRO A 54 -17.036 10.447 16.893 1.00 0.00 C ATOM 772 CD PRO A 54 -17.023 10.132 18.358 1.00 0.00 C ATOM 0 HA PRO A 54 -14.033 11.189 17.519 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -16.499 12.513 16.675 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -15.508 11.413 15.737 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -18.026 10.773 16.574 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -16.785 9.565 16.303 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -17.724 10.754 18.914 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -17.293 9.094 18.553 1.00 0.00 H new ATOM 780 N GLY A 55 -13.869 13.099 19.093 1.00 0.00 N ATOM 781 CA GLY A 55 -13.747 14.149 20.050 1.00 0.00 C ATOM 782 C GLY A 55 -13.221 13.564 21.331 1.00 0.00 C ATOM 783 O GLY A 55 -12.922 12.366 21.387 1.00 0.00 O ATOM 0 H GLY A 55 -12.983 12.717 18.763 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.073 14.922 19.681 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.714 14.623 20.218 1.00 0.00 H new ATOM 787 N LYS A 56 -13.059 14.376 22.328 1.00 0.00 N ATOM 788 CA LYS A 56 -12.605 13.928 23.587 1.00 0.00 C ATOM 789 C LYS A 56 -13.710 13.264 24.383 1.00 0.00 C ATOM 790 O LYS A 56 -14.880 13.223 23.980 1.00 0.00 O ATOM 791 CB LYS A 56 -12.090 15.124 24.405 1.00 0.00 C ATOM 792 CG LYS A 56 -13.193 15.999 24.985 1.00 0.00 C ATOM 793 CD LYS A 56 -12.632 17.019 25.963 1.00 0.00 C ATOM 794 CE LYS A 56 -13.713 17.563 26.901 1.00 0.00 C ATOM 795 NZ LYS A 56 -14.270 16.505 27.799 1.00 0.00 N ATOM 0 H LYS A 56 -13.243 15.378 22.280 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.813 13.202 23.404 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.468 14.753 25.220 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.450 15.737 23.770 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.714 16.514 24.178 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.928 15.373 25.491 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.838 16.559 26.552 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.182 17.844 25.410 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.294 18.367 27.506 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.520 17.996 26.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.682 16.949 28.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -15.007 15.973 27.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.509 15.856 28.085 1.00 0.00 H new ATOM 809 N CYS A 57 -13.314 12.737 25.480 1.00 0.00 N ATOM 810 CA CYS A 57 -14.232 12.349 26.488 1.00 0.00 C ATOM 811 C CYS A 57 -14.423 13.543 27.405 1.00 0.00 C ATOM 812 O CYS A 57 -13.509 13.881 28.180 1.00 0.00 O ATOM 813 CB CYS A 57 -13.779 11.093 27.225 1.00 0.00 C ATOM 814 SG CYS A 57 -14.156 9.544 26.310 1.00 0.00 S ATOM 815 OXT CYS A 57 -15.436 14.256 27.254 1.00 0.00 O ATOM 0 H CYS A 57 -12.336 12.560 25.708 1.00 0.00 H new ATOM 0 HA CYS A 57 -15.190 12.072 26.048 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -12.705 11.151 27.403 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -14.262 11.058 28.201 1.00 0.00 H new TER 820 CYS A 57