USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 476 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 47 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.1) USER MOD Set 1.2: A 69 HIS : no HE2:sc= 0 X(o=-0.1,f=-0.11) USER MOD Set 2.1: A 20 HIS : no HE2:sc= -1.62 K(o=-4.6,f=-8.1!) USER MOD Set 2.2: A 55 HIS :FLIP no HD1:sc= -2.94 F(o=-5.5!,f=-4.6) USER MOD Set 3.1: A 17 HIS : no HE2:sc= 0 X(o=0,f=-0.01) USER MOD Set 3.2: A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -2.54! C(o=-2.5!,f=-5.9!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -1.87! C(o=-1.9!,f=-3.6!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0.0374 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 156:sc= -0.008 (180deg=-0.04) USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 146:sc= -0.0178 (180deg=-2.32!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -155:sc= -0.0342 (180deg=-0.415) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 67:sc= 0.174 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 137:sc= 0.0356 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 2.235 3.021 -0.622 1.00 1.00 N ATOM 12 CA ASP A 2 1.717 3.678 -1.810 1.00 1.00 C ATOM 13 C ASP A 2 0.188 3.650 -1.777 1.00 1.00 C ATOM 14 O ASP A 2 -0.454 4.691 -1.644 1.00 1.00 O ATOM 15 CB ASP A 2 2.176 2.962 -3.081 1.00 1.00 C ATOM 16 CG ASP A 2 1.087 2.753 -4.136 1.00 1.00 C ATOM 17 OD1 ASP A 2 0.509 3.718 -4.658 1.00 1.00 O ATOM 18 OD2 ASP A 2 0.835 1.520 -4.421 1.00 1.00 O ATOM 0 HA ASP A 2 2.091 4.702 -1.819 1.00 1.00 H new ATOM 0 HB2 ASP A 2 2.989 3.534 -3.528 1.00 1.00 H new ATOM 0 HB3 ASP A 2 2.584 1.990 -2.805 1.00 1.00 H new ATOM 24 N ASP A 3 -0.352 2.447 -1.902 1.00 1.00 N ATOM 25 CA ASP A 3 -1.794 2.268 -1.888 1.00 1.00 C ATOM 26 C ASP A 3 -2.205 1.561 -0.595 1.00 1.00 C ATOM 27 O ASP A 3 -1.600 0.560 -0.212 1.00 1.00 O ATOM 28 CB ASP A 3 -2.253 1.405 -3.065 1.00 1.00 C ATOM 29 CG ASP A 3 -1.733 -0.034 -3.054 1.00 1.00 C ATOM 30 OD1 ASP A 3 -0.676 -0.326 -2.476 1.00 1.00 O ATOM 31 OD2 ASP A 3 -2.470 -0.885 -3.682 1.00 1.00 O ATOM 0 H ASP A 3 0.183 1.586 -2.014 1.00 1.00 H new ATOM 0 HA ASP A 3 -2.256 3.253 -1.960 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -3.343 1.381 -3.075 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -1.936 1.883 -3.992 1.00 1.00 H new ATOM 37 N ILE A 4 -3.228 2.109 0.043 1.00 1.00 N ATOM 38 CA ILE A 4 -3.727 1.543 1.285 1.00 1.00 C ATOM 39 C ILE A 4 -5.217 1.233 1.138 1.00 1.00 C ATOM 40 O ILE A 4 -6.039 2.144 1.051 1.00 1.00 O ATOM 41 CB ILE A 4 -3.403 2.466 2.462 1.00 1.00 C ATOM 42 CG1 ILE A 4 -1.909 2.791 2.510 1.00 1.00 C ATOM 43 CG2 ILE A 4 -3.903 1.871 3.779 1.00 1.00 C ATOM 44 CD1 ILE A 4 -1.513 3.351 3.877 1.00 1.00 C ATOM 0 H ILE A 4 -3.726 2.940 -0.277 1.00 1.00 H new ATOM 0 HA ILE A 4 -3.226 0.600 1.502 1.00 1.00 H new ATOM 0 HB ILE A 4 -3.932 3.407 2.313 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -1.331 1.891 2.300 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -1.666 3.515 1.732 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -3.660 2.547 4.599 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -4.983 1.734 3.730 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -3.423 0.907 3.948 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -0.446 3.573 3.884 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -2.075 4.264 4.073 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -1.735 2.615 4.650 1.00 1.00 H new ATOM 51 N VAL A 5 -5.522 -0.056 1.114 1.00 1.00 N ATOM 52 CA VAL A 5 -6.899 -0.498 0.980 1.00 1.00 C ATOM 53 C VAL A 5 -7.526 -0.634 2.369 1.00 1.00 C ATOM 54 O VAL A 5 -6.984 -1.322 3.233 1.00 1.00 O ATOM 55 CB VAL A 5 -6.956 -1.794 0.169 1.00 1.00 C ATOM 56 CG1 VAL A 5 -8.381 -2.349 0.122 1.00 1.00 C ATOM 57 CG2 VAL A 5 -6.403 -1.582 -1.243 1.00 1.00 C ATOM 0 H VAL A 5 -4.838 -0.809 1.185 1.00 1.00 H new ATOM 0 HA VAL A 5 -7.484 0.240 0.431 1.00 1.00 H new ATOM 0 HB VAL A 5 -6.326 -2.530 0.669 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -8.394 -3.270 -0.460 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -8.725 -2.556 1.136 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -9.041 -1.617 -0.343 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -6.455 -2.518 -1.798 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -6.994 -0.823 -1.755 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -5.365 -1.253 -1.182 1.00 1.00 H new ATOM 63 N LEU A 6 -8.656 0.034 2.541 1.00 1.00 N ATOM 64 CA LEU A 6 -9.362 -0.004 3.811 1.00 1.00 C ATOM 65 C LEU A 6 -10.611 -0.877 3.670 1.00 1.00 C ATOM 66 O LEU A 6 -11.718 -0.362 3.519 1.00 1.00 O ATOM 67 CB LEU A 6 -9.655 1.415 4.303 1.00 1.00 C ATOM 68 CG LEU A 6 -8.435 2.308 4.537 1.00 1.00 C ATOM 69 CD1 LEU A 6 -8.793 3.784 4.348 1.00 1.00 C ATOM 70 CD2 LEU A 6 -7.814 2.041 5.908 1.00 1.00 C ATOM 0 H LEU A 6 -9.101 0.605 1.822 1.00 1.00 H new ATOM 0 HA LEU A 6 -8.739 -0.461 4.580 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -10.304 1.904 3.576 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -10.215 1.347 5.236 1.00 1.00 H new ATOM 0 HG LEU A 6 -7.682 2.060 3.789 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -7.909 4.398 4.520 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -9.154 3.944 3.332 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -9.572 4.063 5.057 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.949 2.689 6.048 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -8.549 2.244 6.686 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.500 0.999 5.969 1.00 1.00 H new ATOM 78 N LYS A 7 -10.391 -2.181 3.723 1.00 1.00 N ATOM 79 CA LYS A 7 -11.485 -3.131 3.603 1.00 1.00 C ATOM 80 C LYS A 7 -12.703 -2.595 4.357 1.00 1.00 C ATOM 81 O LYS A 7 -12.584 -2.146 5.496 1.00 1.00 O ATOM 82 CB LYS A 7 -11.041 -4.522 4.059 1.00 1.00 C ATOM 83 CG LYS A 7 -10.412 -4.466 5.453 1.00 1.00 C ATOM 84 CD LYS A 7 -10.774 -5.709 6.268 1.00 1.00 C ATOM 85 CE LYS A 7 -10.879 -5.376 7.757 1.00 1.00 C ATOM 86 NZ LYS A 7 -12.258 -5.605 8.244 1.00 1.00 N ATOM 0 H LYS A 7 -9.471 -2.604 3.847 1.00 1.00 H new ATOM 0 HA LYS A 7 -11.779 -3.244 2.560 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -11.897 -5.196 4.069 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -10.323 -4.930 3.348 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -9.328 -4.388 5.364 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -10.754 -3.572 5.975 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -11.721 -6.117 5.915 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -10.019 -6.480 6.116 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -10.180 -5.992 8.323 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -10.596 -4.337 7.924 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -12.311 -5.374 9.257 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -12.918 -4.999 7.715 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -12.515 -6.603 8.103 1.00 1.00 H new ATOM 99 N ALA A 8 -13.848 -2.662 3.692 1.00 1.00 N ATOM 100 CA ALA A 8 -15.087 -2.189 4.287 1.00 1.00 C ATOM 101 C ALA A 8 -16.200 -3.201 4.006 1.00 1.00 C ATOM 102 O ALA A 8 -16.117 -3.970 3.050 1.00 1.00 O ATOM 103 CB ALA A 8 -15.414 -0.797 3.746 1.00 1.00 C ATOM 0 H ALA A 8 -13.943 -3.036 2.748 1.00 1.00 H new ATOM 0 HA ALA A 8 -14.986 -2.102 5.369 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -16.343 -0.442 4.192 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -14.606 -0.110 3.997 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -15.527 -0.845 2.663 1.00 1.00 H new ATOM 109 N LYS A 9 -17.215 -3.167 4.856 1.00 1.00 N ATOM 110 CA LYS A 9 -18.344 -4.071 4.711 1.00 1.00 C ATOM 111 C LYS A 9 -19.222 -3.601 3.550 1.00 1.00 C ATOM 112 O LYS A 9 -19.803 -4.417 2.836 1.00 1.00 O ATOM 113 CB LYS A 9 -19.096 -4.205 6.037 1.00 1.00 C ATOM 114 CG LYS A 9 -19.506 -5.657 6.289 1.00 1.00 C ATOM 115 CD LYS A 9 -20.973 -5.747 6.715 1.00 1.00 C ATOM 116 CE LYS A 9 -21.581 -7.091 6.309 1.00 1.00 C ATOM 117 NZ LYS A 9 -21.155 -8.155 7.244 1.00 1.00 N ATOM 0 H LYS A 9 -17.280 -2.528 5.648 1.00 1.00 H new ATOM 0 HA LYS A 9 -18.000 -5.075 4.464 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -18.466 -3.854 6.854 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -19.982 -3.570 6.023 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -19.350 -6.245 5.385 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -18.872 -6.089 7.063 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -21.050 -5.620 7.795 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -21.539 -4.935 6.258 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -22.669 -7.018 6.303 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -21.273 -7.345 5.295 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -21.576 -9.061 6.954 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -20.118 -8.235 7.230 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -21.471 -7.918 8.206 1.00 1.00 H new ATOM 130 N ASN A 10 -19.292 -2.287 3.397 1.00 1.00 N ATOM 131 CA ASN A 10 -20.090 -1.698 2.334 1.00 1.00 C ATOM 132 C ASN A 10 -19.163 -1.043 1.309 1.00 1.00 C ATOM 133 O ASN A 10 -19.078 0.183 1.238 1.00 1.00 O ATOM 134 CB ASN A 10 -21.027 -0.620 2.882 1.00 1.00 C ATOM 135 CG ASN A 10 -21.525 0.295 1.761 1.00 1.00 C ATOM 136 OD1 ASN A 10 -21.439 -0.018 0.585 1.00 1.00 O ATOM 137 ND2 ASN A 10 -22.047 1.440 2.189 1.00 1.00 N ATOM 0 H ASN A 10 -18.809 -1.613 3.991 1.00 1.00 H new ATOM 0 HA ASN A 10 -20.681 -2.491 1.877 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -21.877 -1.089 3.378 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -20.506 -0.028 3.635 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -22.406 2.119 1.518 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -22.088 1.640 3.188 1.00 1.00 H new ATOM 143 N GLY A 11 -18.490 -1.887 0.541 1.00 1.00 N ATOM 144 CA GLY A 11 -17.572 -1.405 -0.476 1.00 1.00 C ATOM 145 C GLY A 11 -16.220 -1.035 0.135 1.00 1.00 C ATOM 146 O GLY A 11 -16.158 -0.532 1.256 1.00 1.00 O ATOM 0 H GLY A 11 -18.562 -2.903 0.603 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -17.433 -2.172 -1.238 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -18.000 -0.535 -0.974 1.00 1.00 H new ATOM 150 N ASP A 12 -15.169 -1.301 -0.627 1.00 1.00 N ATOM 151 CA ASP A 12 -13.821 -1.003 -0.174 1.00 1.00 C ATOM 152 C ASP A 12 -13.559 0.497 -0.320 1.00 1.00 C ATOM 153 O ASP A 12 -14.365 1.219 -0.906 1.00 1.00 O ATOM 154 CB ASP A 12 -12.781 -1.749 -1.012 1.00 1.00 C ATOM 155 CG ASP A 12 -11.334 -1.583 -0.545 1.00 1.00 C ATOM 156 OD1 ASP A 12 -10.560 -0.805 -1.124 1.00 1.00 O ATOM 157 OD2 ASP A 12 -11.004 -2.301 0.475 1.00 1.00 O ATOM 0 H ASP A 12 -15.224 -1.720 -1.555 1.00 1.00 H new ATOM 0 HA ASP A 12 -13.737 -1.317 0.867 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -13.028 -2.811 -1.009 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -12.855 -1.407 -2.044 1.00 1.00 H new ATOM 163 N VAL A 13 -12.427 0.923 0.223 1.00 1.00 N ATOM 164 CA VAL A 13 -12.048 2.325 0.161 1.00 1.00 C ATOM 165 C VAL A 13 -10.606 2.437 -0.337 1.00 1.00 C ATOM 166 O VAL A 13 -9.668 2.093 0.382 1.00 1.00 O ATOM 167 CB VAL A 13 -12.263 2.987 1.524 1.00 1.00 C ATOM 168 CG1 VAL A 13 -11.803 4.445 1.504 1.00 1.00 C ATOM 169 CG2 VAL A 13 -13.726 2.878 1.961 1.00 1.00 C ATOM 0 H VAL A 13 -11.760 0.322 0.708 1.00 1.00 H new ATOM 0 HA VAL A 13 -12.680 2.860 -0.548 1.00 1.00 H new ATOM 0 HB VAL A 13 -11.655 2.455 2.255 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -11.967 4.892 2.485 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -10.742 4.488 1.258 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -12.372 4.996 0.755 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -13.852 3.356 2.932 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -14.363 3.373 1.228 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -14.006 1.827 2.035 1.00 1.00 H new ATOM 175 N LYS A 14 -10.472 2.919 -1.564 1.00 1.00 N ATOM 176 CA LYS A 14 -9.161 3.081 -2.167 1.00 1.00 C ATOM 177 C LYS A 14 -8.575 4.431 -1.748 1.00 1.00 C ATOM 178 O LYS A 14 -9.079 5.481 -2.147 1.00 1.00 O ATOM 179 CB LYS A 14 -9.239 2.887 -3.682 1.00 1.00 C ATOM 180 CG LYS A 14 -9.155 4.230 -4.411 1.00 1.00 C ATOM 181 CD LYS A 14 -10.441 5.038 -4.221 1.00 1.00 C ATOM 182 CE LYS A 14 -11.391 4.843 -5.406 1.00 1.00 C ATOM 183 NZ LYS A 14 -11.101 5.828 -6.470 1.00 1.00 N ATOM 0 H LYS A 14 -11.252 3.203 -2.157 1.00 1.00 H new ATOM 0 HA LYS A 14 -8.479 2.311 -1.807 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -8.427 2.239 -4.012 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -10.172 2.386 -3.941 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -8.305 4.799 -4.035 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -8.981 4.061 -5.474 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -10.935 4.730 -3.299 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -10.198 6.095 -4.115 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -11.287 3.832 -5.800 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -12.423 4.951 -5.074 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -11.754 5.682 -7.266 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -11.223 6.790 -6.095 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -10.122 5.706 -6.799 1.00 1.00 H new ATOM 196 N PHE A 15 -7.519 4.360 -0.950 1.00 1.00 N ATOM 197 CA PHE A 15 -6.860 5.565 -0.474 1.00 1.00 C ATOM 198 C PHE A 15 -5.399 5.606 -0.928 1.00 1.00 C ATOM 199 O PHE A 15 -4.561 4.815 -0.504 1.00 1.00 O ATOM 200 CB PHE A 15 -6.905 5.524 1.055 1.00 1.00 C ATOM 201 CG PHE A 15 -6.369 6.789 1.727 1.00 1.00 C ATOM 202 CD1 PHE A 15 -6.768 8.014 1.290 1.00 1.00 C ATOM 203 CD2 PHE A 15 -5.492 6.690 2.763 1.00 1.00 C ATOM 204 CE1 PHE A 15 -6.270 9.188 1.914 1.00 1.00 C ATOM 205 CE2 PHE A 15 -4.994 7.864 3.386 1.00 1.00 C ATOM 206 CZ PHE A 15 -5.394 9.089 2.948 1.00 1.00 C ATOM 0 H PHE A 15 -7.104 3.488 -0.622 1.00 1.00 H new ATOM 0 HA PHE A 15 -7.362 6.447 -0.873 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -7.935 5.364 1.374 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -6.327 4.668 1.402 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -7.464 8.093 0.468 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -5.175 5.718 3.111 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -6.588 10.160 1.567 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -4.298 7.785 4.208 1.00 1.00 H new ATOM 0 HZ PHE A 15 -5.015 9.982 3.422 1.00 1.00 H new ATOM 216 N PRO A 16 -5.112 6.562 -1.814 1.00 1.00 N ATOM 217 CA PRO A 16 -3.797 6.784 -2.377 1.00 1.00 C ATOM 218 C PRO A 16 -2.925 7.510 -1.363 1.00 1.00 C ATOM 219 O PRO A 16 -2.846 8.735 -1.407 1.00 1.00 O ATOM 220 CB PRO A 16 -4.041 7.652 -3.610 1.00 1.00 C ATOM 221 CG PRO A 16 -5.257 8.461 -3.207 1.00 1.00 C ATOM 222 CD PRO A 16 -6.074 7.510 -2.336 1.00 1.00 C ATOM 0 HA PRO A 16 -3.283 5.858 -2.635 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -3.185 8.289 -3.833 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -4.230 7.050 -4.499 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -4.973 9.358 -2.657 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -5.824 8.787 -4.079 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -6.577 8.046 -1.531 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -6.848 7.008 -2.917 1.00 1.00 H new ATOM 230 N HIS A 17 -2.287 6.750 -0.471 1.00 1.00 N ATOM 231 CA HIS A 17 -1.418 7.302 0.562 1.00 1.00 C ATOM 232 C HIS A 17 -0.294 8.127 -0.090 1.00 1.00 C ATOM 233 O HIS A 17 -0.153 9.316 0.195 1.00 1.00 O ATOM 234 CB HIS A 17 -0.924 6.157 1.459 1.00 1.00 C ATOM 235 CG HIS A 17 -0.278 6.551 2.767 1.00 1.00 C ATOM 236 ND1 HIS A 17 0.999 6.274 3.052 1.00 1.00 N ATOM 237 CD2 HIS A 17 -0.779 7.212 3.864 1.00 1.00 C ATOM 238 CE1 HIS A 17 1.281 6.745 4.277 1.00 1.00 C ATOM 239 NE2 HIS A 17 0.219 7.332 4.823 1.00 1.00 N ATOM 0 H HIS A 17 -2.361 5.733 -0.447 1.00 1.00 H new ATOM 0 HA HIS A 17 -1.956 7.995 1.208 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -1.771 5.508 1.680 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -0.208 5.564 0.890 1.00 1.00 H new ATOM 0 HD1 HIS A 17 1.652 5.785 2.439 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -1.789 7.580 3.964 1.00 1.00 H new ATOM 0 HE1 HIS A 17 2.245 6.659 4.757 1.00 1.00 H new ATOM 247 N LYS A 18 0.470 7.466 -0.949 1.00 1.00 N ATOM 248 CA LYS A 18 1.567 8.126 -1.635 1.00 1.00 C ATOM 249 C LYS A 18 1.097 9.487 -2.149 1.00 1.00 C ATOM 250 O LYS A 18 1.852 10.458 -2.125 1.00 1.00 O ATOM 251 CB LYS A 18 2.135 7.219 -2.729 1.00 1.00 C ATOM 252 CG LYS A 18 2.493 8.026 -3.980 1.00 1.00 C ATOM 253 CD LYS A 18 3.245 7.162 -4.994 1.00 1.00 C ATOM 254 CE LYS A 18 2.283 6.560 -6.020 1.00 1.00 C ATOM 255 NZ LYS A 18 2.717 6.890 -7.395 1.00 1.00 N ATOM 0 H LYS A 18 0.350 6.481 -1.185 1.00 1.00 H new ATOM 0 HA LYS A 18 2.391 8.313 -0.946 1.00 1.00 H new ATOM 0 HB2 LYS A 18 3.022 6.706 -2.357 1.00 1.00 H new ATOM 0 HB3 LYS A 18 1.405 6.450 -2.984 1.00 1.00 H new ATOM 0 HG2 LYS A 18 1.584 8.420 -4.435 1.00 1.00 H new ATOM 0 HG3 LYS A 18 3.107 8.883 -3.701 1.00 1.00 H new ATOM 0 HD2 LYS A 18 3.997 7.764 -5.504 1.00 1.00 H new ATOM 0 HD3 LYS A 18 3.775 6.364 -4.475 1.00 1.00 H new ATOM 0 HE2 LYS A 18 2.241 5.478 -5.896 1.00 1.00 H new ATOM 0 HE3 LYS A 18 1.276 6.940 -5.849 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 2.053 6.473 -8.078 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 2.735 7.923 -7.515 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 3.669 6.506 -7.560 1.00 1.00 H new ATOM 268 N ALA A 19 -0.149 9.517 -2.599 1.00 1.00 N ATOM 269 CA ALA A 19 -0.729 10.744 -3.117 1.00 1.00 C ATOM 270 C ALA A 19 -0.903 11.743 -1.972 1.00 1.00 C ATOM 271 O ALA A 19 -0.695 12.943 -2.145 1.00 1.00 O ATOM 272 CB ALA A 19 -2.050 10.427 -3.822 1.00 1.00 C ATOM 0 H ALA A 19 -0.773 8.710 -2.615 1.00 1.00 H new ATOM 0 HA ALA A 19 -0.068 11.200 -3.854 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -2.485 11.348 -4.211 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -1.867 9.737 -4.645 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -2.740 9.971 -3.113 1.00 1.00 H new ATOM 278 N HIS A 20 -1.290 11.210 -0.813 1.00 1.00 N ATOM 279 CA HIS A 20 -1.507 12.004 0.391 1.00 1.00 C ATOM 280 C HIS A 20 -0.169 12.220 1.122 1.00 1.00 C ATOM 281 O HIS A 20 -0.152 12.405 2.338 1.00 1.00 O ATOM 282 CB HIS A 20 -2.591 11.328 1.243 1.00 1.00 C ATOM 283 CG HIS A 20 -4.023 11.521 0.801 1.00 1.00 C ATOM 284 ND1 HIS A 20 -4.548 10.868 -0.241 1.00 1.00 N ATOM 285 CD2 HIS A 20 -5.026 12.321 1.296 1.00 1.00 C ATOM 286 CE1 HIS A 20 -5.828 11.245 -0.388 1.00 1.00 C ATOM 287 NE2 HIS A 20 -6.174 12.141 0.535 1.00 1.00 N ATOM 0 H HIS A 20 -1.462 10.213 -0.685 1.00 1.00 H new ATOM 0 HA HIS A 20 -1.875 13.001 0.150 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -2.385 10.258 1.269 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -2.498 11.695 2.265 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -4.057 10.194 -0.828 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -4.935 12.985 2.143 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -6.491 10.871 -1.154 1.00 1.00 H new ATOM 295 N GLN A 21 0.908 12.190 0.352 1.00 1.00 N ATOM 296 CA GLN A 21 2.235 12.381 0.913 1.00 1.00 C ATOM 297 C GLN A 21 2.731 13.802 0.634 1.00 1.00 C ATOM 298 O GLN A 21 3.287 14.453 1.517 1.00 1.00 O ATOM 299 CB GLN A 21 3.215 11.341 0.367 1.00 1.00 C ATOM 300 CG GLN A 21 4.137 10.823 1.474 1.00 1.00 C ATOM 301 CD GLN A 21 5.138 11.898 1.901 1.00 1.00 C ATOM 302 OE1 GLN A 21 4.794 12.898 2.509 1.00 1.00 O ATOM 303 NE2 GLN A 21 6.394 11.637 1.551 1.00 1.00 N ATOM 0 H GLN A 21 0.889 12.036 -0.656 1.00 1.00 H new ATOM 0 HA GLN A 21 2.175 12.244 1.993 1.00 1.00 H new ATOM 0 HB2 GLN A 21 2.662 10.509 -0.070 1.00 1.00 H new ATOM 0 HB3 GLN A 21 3.812 11.782 -0.432 1.00 1.00 H new ATOM 0 HG2 GLN A 21 3.542 10.514 2.333 1.00 1.00 H new ATOM 0 HG3 GLN A 21 4.673 9.941 1.123 1.00 1.00 H new ATOM 0 HE21 GLN A 21 6.614 10.781 1.043 1.00 1.00 H new ATOM 0 HE22 GLN A 21 7.137 12.293 1.791 1.00 1.00 H new ATOM 311 N LYS A 22 2.511 14.239 -0.598 1.00 1.00 N ATOM 312 CA LYS A 22 2.927 15.570 -1.004 1.00 1.00 C ATOM 313 C LYS A 22 1.689 16.434 -1.254 1.00 1.00 C ATOM 314 O LYS A 22 1.659 17.222 -2.198 1.00 1.00 O ATOM 315 CB LYS A 22 3.876 15.492 -2.202 1.00 1.00 C ATOM 316 CG LYS A 22 3.094 15.387 -3.513 1.00 1.00 C ATOM 317 CD LYS A 22 3.925 14.687 -4.591 1.00 1.00 C ATOM 318 CE LYS A 22 4.067 13.194 -4.291 1.00 1.00 C ATOM 319 NZ LYS A 22 3.130 12.407 -5.123 1.00 1.00 N ATOM 0 H LYS A 22 2.050 13.695 -1.327 1.00 1.00 H new ATOM 0 HA LYS A 22 3.495 16.051 -0.208 1.00 1.00 H new ATOM 0 HB2 LYS A 22 4.513 16.376 -2.224 1.00 1.00 H new ATOM 0 HB3 LYS A 22 4.532 14.628 -2.095 1.00 1.00 H new ATOM 0 HG2 LYS A 22 2.169 14.835 -3.346 1.00 1.00 H new ATOM 0 HG3 LYS A 22 2.814 16.383 -3.854 1.00 1.00 H new ATOM 0 HD2 LYS A 22 3.453 14.823 -5.564 1.00 1.00 H new ATOM 0 HD3 LYS A 22 4.912 15.145 -4.649 1.00 1.00 H new ATOM 0 HE2 LYS A 22 5.091 12.874 -4.484 1.00 1.00 H new ATOM 0 HE3 LYS A 22 3.869 13.009 -3.235 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 3.239 11.396 -4.907 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 2.154 12.701 -4.919 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 3.338 12.570 -6.129 1.00 1.00 H new ATOM 332 N ALA A 23 0.699 16.256 -0.393 1.00 1.00 N ATOM 333 CA ALA A 23 -0.539 17.009 -0.509 1.00 1.00 C ATOM 334 C ALA A 23 -0.987 17.462 0.882 1.00 1.00 C ATOM 335 O ALA A 23 -2.136 17.864 1.067 1.00 1.00 O ATOM 336 CB ALA A 23 -1.594 16.152 -1.212 1.00 1.00 C ATOM 0 H ALA A 23 0.728 15.601 0.389 1.00 1.00 H new ATOM 0 HA ALA A 23 -0.390 17.903 -1.114 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -2.522 16.717 -1.299 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -1.239 15.881 -2.207 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -1.773 15.247 -0.632 1.00 1.00 H new ATOM 391 N LYS A 28 1.823 15.738 9.763 1.00 1.00 N ATOM 392 CA LYS A 28 1.376 15.603 11.139 1.00 1.00 C ATOM 393 C LYS A 28 -0.132 15.848 11.207 1.00 1.00 C ATOM 394 O LYS A 28 -0.777 15.498 12.195 1.00 1.00 O ATOM 395 CB LYS A 28 2.190 16.517 12.058 1.00 1.00 C ATOM 396 CG LYS A 28 3.588 15.945 12.301 1.00 1.00 C ATOM 397 CD LYS A 28 3.782 15.581 13.774 1.00 1.00 C ATOM 398 CE LYS A 28 5.269 15.526 14.135 1.00 1.00 C ATOM 399 NZ LYS A 28 5.490 16.046 15.502 1.00 1.00 N ATOM 0 HA LYS A 28 1.551 14.589 11.499 1.00 1.00 H new ATOM 0 HB2 LYS A 28 2.271 17.508 11.612 1.00 1.00 H new ATOM 0 HB3 LYS A 28 1.672 16.637 13.009 1.00 1.00 H new ATOM 0 HG2 LYS A 28 3.736 15.060 11.681 1.00 1.00 H new ATOM 0 HG3 LYS A 28 4.341 16.674 12.001 1.00 1.00 H new ATOM 0 HD2 LYS A 28 3.278 16.315 14.403 1.00 1.00 H new ATOM 0 HD3 LYS A 28 3.319 14.616 13.978 1.00 1.00 H new ATOM 0 HE2 LYS A 28 5.628 14.499 14.068 1.00 1.00 H new ATOM 0 HE3 LYS A 28 5.845 16.112 13.419 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 6.504 16.002 15.731 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 5.166 17.033 15.555 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 4.956 15.470 16.183 1.00 1.00 H new ATOM 412 N LYS A 29 -0.652 16.447 10.146 1.00 1.00 N ATOM 413 CA LYS A 29 -2.072 16.743 10.074 1.00 1.00 C ATOM 414 C LYS A 29 -2.864 15.558 10.630 1.00 1.00 C ATOM 415 O LYS A 29 -3.644 15.714 11.568 1.00 1.00 O ATOM 416 CB LYS A 29 -2.466 17.131 8.647 1.00 1.00 C ATOM 417 CG LYS A 29 -3.889 17.693 8.605 1.00 1.00 C ATOM 418 CD LYS A 29 -3.982 18.878 7.642 1.00 1.00 C ATOM 419 CE LYS A 29 -3.190 20.076 8.171 1.00 1.00 C ATOM 420 NZ LYS A 29 -4.023 20.883 9.091 1.00 1.00 N ATOM 0 H LYS A 29 -0.115 16.736 9.329 1.00 1.00 H new ATOM 0 HA LYS A 29 -2.314 17.607 10.693 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -1.767 17.873 8.262 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.396 16.259 7.997 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -4.583 16.912 8.295 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -4.189 18.008 9.604 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -3.599 18.587 6.664 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -5.026 19.159 7.505 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -2.297 19.728 8.690 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -2.854 20.694 7.338 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -3.470 21.692 9.441 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -4.863 21.230 8.585 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -4.322 20.295 9.895 1.00 1.00 H new ATOM 433 N CYS A 30 -2.637 14.401 10.027 1.00 1.00 N ATOM 434 CA CYS A 30 -3.319 13.189 10.451 1.00 1.00 C ATOM 435 C CYS A 30 -2.410 12.442 11.428 1.00 1.00 C ATOM 436 O CYS A 30 -2.884 11.781 12.350 1.00 1.00 O ATOM 437 CB CYS A 30 -3.715 12.316 9.258 1.00 1.00 C ATOM 438 SG CYS A 30 -3.784 13.329 7.736 1.00 1.00 S ATOM 0 H CYS A 30 -1.990 14.276 9.248 1.00 1.00 H new ATOM 0 HA CYS A 30 -4.251 13.450 10.952 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -2.995 11.507 9.134 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -4.685 11.854 9.441 1.00 1.00 H new ATOM 0 HG CYS A 30 -4.119 12.578 6.729 1.00 1.00 H new ATOM 443 N HIS A 31 -1.104 12.572 11.194 1.00 1.00 N ATOM 444 CA HIS A 31 -0.085 11.933 12.019 1.00 1.00 C ATOM 445 C HIS A 31 0.494 12.954 13.015 1.00 1.00 C ATOM 446 O HIS A 31 1.708 13.143 13.073 1.00 1.00 O ATOM 447 CB HIS A 31 0.962 11.282 11.102 1.00 1.00 C ATOM 448 CG HIS A 31 0.455 10.258 10.113 1.00 1.00 C ATOM 449 ND1 HIS A 31 -0.499 9.373 10.418 1.00 1.00 N ATOM 450 CD2 HIS A 31 0.804 10.009 8.806 1.00 1.00 C ATOM 451 CE1 HIS A 31 -0.735 8.602 9.345 1.00 1.00 C ATOM 452 NE2 HIS A 31 0.043 8.952 8.322 1.00 1.00 N ATOM 0 H HIS A 31 -0.725 13.125 10.425 1.00 1.00 H new ATOM 0 HA HIS A 31 -0.508 11.134 12.627 1.00 1.00 H new ATOM 0 HB2 HIS A 31 1.465 12.073 10.545 1.00 1.00 H new ATOM 0 HB3 HIS A 31 1.715 10.805 11.730 1.00 1.00 H new ATOM 0 HD2 HIS A 31 1.552 10.550 8.245 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -1.461 7.803 9.315 1.00 1.00 H new ATOM 0 HE2 HIS A 31 0.073 8.537 7.391 1.00 1.00 H new ATOM 460 N GLU A 32 -0.399 13.580 13.768 1.00 1.00 N ATOM 461 CA GLU A 32 0.013 14.568 14.750 1.00 1.00 C ATOM 462 C GLU A 32 1.010 13.955 15.736 1.00 1.00 C ATOM 463 O GLU A 32 1.948 14.621 16.171 1.00 1.00 O ATOM 464 CB GLU A 32 -1.198 15.148 15.485 1.00 1.00 C ATOM 465 CG GLU A 32 -2.188 15.773 14.501 1.00 1.00 C ATOM 466 CD GLU A 32 -3.536 16.041 15.176 1.00 1.00 C ATOM 467 OE1 GLU A 32 -4.148 15.115 15.728 1.00 1.00 O ATOM 468 OE2 GLU A 32 -3.943 17.264 15.114 1.00 1.00 O ATOM 0 H GLU A 32 -1.405 13.422 13.718 1.00 1.00 H new ATOM 0 HA GLU A 32 0.507 15.387 14.227 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -1.693 14.362 16.055 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -0.867 15.900 16.201 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -1.780 16.706 14.112 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -2.329 15.107 13.649 1.00 1.00 H new ATOM 476 N LYS A 33 0.773 12.692 16.058 1.00 1.00 N ATOM 477 CA LYS A 33 1.640 11.981 16.983 1.00 1.00 C ATOM 478 C LYS A 33 2.810 11.370 16.212 1.00 1.00 C ATOM 479 O LYS A 33 3.956 11.785 16.384 1.00 1.00 O ATOM 480 CB LYS A 33 0.836 10.961 17.793 1.00 1.00 C ATOM 481 CG LYS A 33 0.475 11.516 19.173 1.00 1.00 C ATOM 482 CD LYS A 33 1.733 11.788 20.000 1.00 1.00 C ATOM 483 CE LYS A 33 1.900 10.741 21.103 1.00 1.00 C ATOM 484 NZ LYS A 33 2.598 11.325 22.271 1.00 1.00 N ATOM 0 H LYS A 33 -0.006 12.143 15.695 1.00 1.00 H new ATOM 0 HA LYS A 33 2.065 12.670 17.713 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -0.074 10.699 17.253 1.00 1.00 H new ATOM 0 HB3 LYS A 33 1.415 10.044 17.906 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -0.097 12.437 19.060 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -0.164 10.806 19.699 1.00 1.00 H new ATOM 0 HD2 LYS A 33 2.608 11.780 19.351 1.00 1.00 H new ATOM 0 HD3 LYS A 33 1.674 12.782 20.443 1.00 1.00 H new ATOM 0 HE2 LYS A 33 0.923 10.365 21.406 1.00 1.00 H new ATOM 0 HE3 LYS A 33 2.465 9.890 20.722 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 2.703 10.601 23.010 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 3.538 11.662 21.981 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 2.044 12.122 22.644 1.00 1.00 H new ATOM 497 N GLY A 34 2.483 10.393 15.379 1.00 1.00 N ATOM 498 CA GLY A 34 3.493 9.719 14.581 1.00 1.00 C ATOM 499 C GLY A 34 2.855 8.709 13.626 1.00 1.00 C ATOM 500 O GLY A 34 1.676 8.376 13.722 1.00 1.00 O ATOM 0 H GLY A 34 1.532 10.052 15.239 1.00 1.00 H new ATOM 0 HA2 GLY A 34 4.061 10.454 14.011 1.00 1.00 H new ATOM 0 HA3 GLY A 34 4.199 9.209 15.237 1.00 1.00 H new ATOM 504 N PRO A 35 3.673 8.223 12.690 1.00 1.00 N ATOM 505 CA PRO A 35 3.281 7.257 11.686 1.00 1.00 C ATOM 506 C PRO A 35 2.807 5.980 12.365 1.00 1.00 C ATOM 507 O PRO A 35 2.788 5.931 13.593 1.00 1.00 O ATOM 508 CB PRO A 35 4.547 7.006 10.869 1.00 1.00 C ATOM 509 CG PRO A 35 5.731 7.380 11.904 1.00 1.00 C ATOM 510 CD PRO A 35 5.064 8.593 12.548 1.00 1.00 C ATOM 0 HA PRO A 35 2.462 7.606 11.057 1.00 1.00 H new ATOM 0 HB2 PRO A 35 4.614 5.970 10.537 1.00 1.00 H new ATOM 0 HB3 PRO A 35 4.581 7.630 9.976 1.00 1.00 H new ATOM 0 HG2 PRO A 35 5.943 6.582 12.616 1.00 1.00 H new ATOM 0 HG3 PRO A 35 6.671 7.623 11.408 1.00 1.00 H new ATOM 0 HD2 PRO A 35 5.512 8.823 13.515 1.00 1.00 H new ATOM 0 HD3 PRO A 35 5.175 9.481 11.926 1.00 1.00 H new ATOM 518 N GLY A 36 2.437 4.987 11.569 1.00 1.00 N ATOM 519 CA GLY A 36 1.967 3.725 12.116 1.00 1.00 C ATOM 520 C GLY A 36 0.438 3.671 12.132 1.00 1.00 C ATOM 521 O GLY A 36 -0.225 4.696 11.980 1.00 1.00 O ATOM 0 H GLY A 36 2.453 5.031 10.550 1.00 1.00 H new ATOM 0 HA2 GLY A 36 2.358 2.899 11.522 1.00 1.00 H new ATOM 0 HA3 GLY A 36 2.350 3.598 13.129 1.00 1.00 H new ATOM 525 N LYS A 37 -0.077 2.464 12.317 1.00 1.00 N ATOM 526 CA LYS A 37 -1.515 2.262 12.356 1.00 1.00 C ATOM 527 C LYS A 37 -2.145 3.291 13.298 1.00 1.00 C ATOM 528 O LYS A 37 -2.049 3.161 14.517 1.00 1.00 O ATOM 529 CB LYS A 37 -1.844 0.812 12.719 1.00 1.00 C ATOM 530 CG LYS A 37 -1.161 0.407 14.027 1.00 1.00 C ATOM 531 CD LYS A 37 0.202 -0.234 13.758 1.00 1.00 C ATOM 532 CE LYS A 37 0.293 -1.620 14.399 1.00 1.00 C ATOM 533 NZ LYS A 37 0.838 -2.602 13.436 1.00 1.00 N ATOM 0 H LYS A 37 0.476 1.616 12.442 1.00 1.00 H new ATOM 0 HA LYS A 37 -1.949 2.425 11.370 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -2.923 0.693 12.816 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -1.521 0.150 11.916 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -1.036 1.284 14.663 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -1.795 -0.293 14.571 1.00 1.00 H new ATOM 0 HD2 LYS A 37 0.364 -0.315 12.683 1.00 1.00 H new ATOM 0 HD3 LYS A 37 0.992 0.405 14.152 1.00 1.00 H new ATOM 0 HE2 LYS A 37 0.929 -1.577 15.283 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -0.695 -1.938 14.732 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 0.893 -3.537 13.888 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 0.216 -2.655 12.604 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 1.789 -2.305 13.138 1.00 1.00 H new ATOM 546 N ILE A 38 -2.776 4.289 12.696 1.00 1.00 N ATOM 547 CA ILE A 38 -3.422 5.338 13.467 1.00 1.00 C ATOM 548 C ILE A 38 -4.068 4.726 14.712 1.00 1.00 C ATOM 549 O ILE A 38 -4.668 3.656 14.642 1.00 1.00 O ATOM 550 CB ILE A 38 -4.399 6.122 12.589 1.00 1.00 C ATOM 551 CG1 ILE A 38 -3.718 7.342 11.965 1.00 1.00 C ATOM 552 CG2 ILE A 38 -5.655 6.506 13.375 1.00 1.00 C ATOM 553 CD1 ILE A 38 -4.089 8.622 12.717 1.00 1.00 C ATOM 0 H ILE A 38 -2.854 4.393 11.684 1.00 1.00 H new ATOM 0 HA ILE A 38 -2.687 6.064 13.814 1.00 1.00 H new ATOM 0 HB ILE A 38 -4.716 5.477 11.770 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -2.637 7.207 11.981 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -4.012 7.432 10.919 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -6.333 7.062 12.728 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -6.152 5.603 13.731 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.376 7.126 14.227 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -3.592 9.474 12.253 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.169 8.767 12.678 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -3.771 8.538 13.756 1.00 1.00 H new ATOM 560 N GLU A 39 -3.922 5.434 15.822 1.00 1.00 N ATOM 561 CA GLU A 39 -4.485 4.975 17.081 1.00 1.00 C ATOM 562 C GLU A 39 -5.907 4.454 16.869 1.00 1.00 C ATOM 563 O GLU A 39 -6.849 5.239 16.754 1.00 1.00 O ATOM 564 CB GLU A 39 -4.459 6.087 18.131 1.00 1.00 C ATOM 565 CG GLU A 39 -3.255 5.934 19.063 1.00 1.00 C ATOM 566 CD GLU A 39 -3.668 5.299 20.393 1.00 1.00 C ATOM 567 OE1 GLU A 39 -4.817 5.466 20.829 1.00 1.00 O ATOM 568 OE2 GLU A 39 -2.747 4.610 20.978 1.00 1.00 O ATOM 0 H GLU A 39 -3.422 6.322 15.876 1.00 1.00 H new ATOM 0 HA GLU A 39 -3.871 4.155 17.453 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -4.420 7.058 17.637 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -5.380 6.063 18.714 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -2.495 5.318 18.583 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -2.806 6.910 19.246 1.00 1.00 H new ATOM 576 N GLY A 40 -6.020 3.135 16.824 1.00 1.00 N ATOM 577 CA GLY A 40 -7.312 2.500 16.627 1.00 1.00 C ATOM 578 C GLY A 40 -8.225 3.372 15.762 1.00 1.00 C ATOM 579 O GLY A 40 -8.950 4.221 16.278 1.00 1.00 O ATOM 0 H GLY A 40 -5.237 2.488 16.921 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -7.175 1.528 16.153 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -7.784 2.320 17.593 1.00 1.00 H new ATOM 583 N PHE A 41 -8.159 3.132 14.461 1.00 1.00 N ATOM 584 CA PHE A 41 -8.971 3.884 13.520 1.00 1.00 C ATOM 585 C PHE A 41 -10.460 3.601 13.731 1.00 1.00 C ATOM 586 O PHE A 41 -10.824 2.587 14.323 1.00 1.00 O ATOM 587 CB PHE A 41 -8.571 3.423 12.117 1.00 1.00 C ATOM 588 CG PHE A 41 -9.359 4.098 10.992 1.00 1.00 C ATOM 589 CD1 PHE A 41 -10.662 3.767 10.781 1.00 1.00 C ATOM 590 CD2 PHE A 41 -8.758 5.027 10.202 1.00 1.00 C ATOM 591 CE1 PHE A 41 -11.393 4.393 9.738 1.00 1.00 C ATOM 592 CE2 PHE A 41 -9.489 5.653 9.158 1.00 1.00 C ATOM 593 CZ PHE A 41 -10.792 5.323 8.948 1.00 1.00 C ATOM 0 H PHE A 41 -7.556 2.428 14.036 1.00 1.00 H new ATOM 0 HA PHE A 41 -8.809 4.953 13.660 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -7.509 3.618 11.971 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -8.709 2.344 12.047 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -11.140 3.028 11.407 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -7.724 5.289 10.369 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -12.427 4.131 9.571 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -9.011 6.391 8.531 1.00 1.00 H new ATOM 0 HZ PHE A 41 -11.349 5.799 8.155 1.00 1.00 H new ATOM 603 N GLY A 42 -11.279 4.518 13.236 1.00 1.00 N ATOM 604 CA GLY A 42 -12.720 4.380 13.364 1.00 1.00 C ATOM 605 C GLY A 42 -13.433 4.897 12.112 1.00 1.00 C ATOM 606 O GLY A 42 -12.879 5.703 11.367 1.00 1.00 O ATOM 0 H GLY A 42 -10.972 5.358 12.746 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.976 3.333 13.526 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -13.066 4.932 14.238 1.00 1.00 H new ATOM 610 N LYS A 43 -14.651 4.412 11.922 1.00 1.00 N ATOM 611 CA LYS A 43 -15.446 4.815 10.774 1.00 1.00 C ATOM 612 C LYS A 43 -15.937 6.250 10.977 1.00 1.00 C ATOM 613 O LYS A 43 -15.669 7.124 10.155 1.00 1.00 O ATOM 614 CB LYS A 43 -16.571 3.809 10.521 1.00 1.00 C ATOM 615 CG LYS A 43 -16.010 2.458 10.074 1.00 1.00 C ATOM 616 CD LYS A 43 -15.585 1.616 11.279 1.00 1.00 C ATOM 617 CE LYS A 43 -14.062 1.490 11.350 1.00 1.00 C ATOM 618 NZ LYS A 43 -13.676 0.321 12.174 1.00 1.00 N ATOM 0 H LYS A 43 -15.107 3.744 12.543 1.00 1.00 H new ATOM 0 HA LYS A 43 -14.838 4.811 9.869 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -17.159 3.680 11.430 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -17.245 4.197 9.758 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -16.763 1.920 9.497 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -15.156 2.615 9.416 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -15.959 2.072 12.196 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -16.033 0.625 11.210 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -13.653 1.385 10.345 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -13.635 2.399 11.775 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -12.639 0.250 12.212 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -14.050 0.436 13.137 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -14.067 -0.545 11.752 1.00 1.00 H new ATOM 631 N GLU A 44 -16.648 6.448 12.078 1.00 1.00 N ATOM 632 CA GLU A 44 -17.179 7.761 12.399 1.00 1.00 C ATOM 633 C GLU A 44 -16.133 8.841 12.114 1.00 1.00 C ATOM 634 O GLU A 44 -16.468 9.924 11.637 1.00 1.00 O ATOM 635 CB GLU A 44 -17.646 7.822 13.856 1.00 1.00 C ATOM 636 CG GLU A 44 -18.269 9.182 14.175 1.00 1.00 C ATOM 637 CD GLU A 44 -19.178 9.650 13.037 1.00 1.00 C ATOM 638 OE1 GLU A 44 -18.748 10.438 12.182 1.00 1.00 O ATOM 639 OE2 GLU A 44 -20.373 9.165 13.061 1.00 1.00 O ATOM 0 H GLU A 44 -16.868 5.721 12.758 1.00 1.00 H new ATOM 0 HA GLU A 44 -18.046 7.946 11.765 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -18.374 7.032 14.042 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -16.801 7.640 14.520 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -18.843 9.115 15.099 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -17.481 9.917 14.341 1.00 1.00 H new ATOM 647 N MET A 45 -14.887 8.509 12.419 1.00 1.00 N ATOM 648 CA MET A 45 -13.790 9.436 12.201 1.00 1.00 C ATOM 649 C MET A 45 -13.562 9.675 10.707 1.00 1.00 C ATOM 650 O MET A 45 -13.263 10.793 10.293 1.00 1.00 O ATOM 651 CB MET A 45 -12.513 8.873 12.829 1.00 1.00 C ATOM 652 CG MET A 45 -11.929 9.850 13.852 1.00 1.00 C ATOM 653 SD MET A 45 -12.473 9.411 15.495 1.00 1.00 S ATOM 654 CE MET A 45 -11.321 10.366 16.468 1.00 1.00 C ATOM 0 H MET A 45 -14.613 7.610 12.816 1.00 1.00 H new ATOM 0 HA MET A 45 -14.046 10.388 12.667 1.00 1.00 H new ATOM 0 HB2 MET A 45 -12.731 7.921 13.313 1.00 1.00 H new ATOM 0 HB3 MET A 45 -11.777 8.674 12.050 1.00 1.00 H new ATOM 0 HG2 MET A 45 -10.840 9.832 13.804 1.00 1.00 H new ATOM 0 HG3 MET A 45 -12.242 10.867 13.616 1.00 1.00 H new ATOM 0 HE1 MET A 45 -11.521 10.207 17.528 1.00 1.00 H new ATOM 0 HE2 MET A 45 -10.303 10.051 16.240 1.00 1.00 H new ATOM 0 HE3 MET A 45 -11.435 11.424 16.232 1.00 1.00 H new ATOM 664 N ALA A 46 -13.712 8.605 9.940 1.00 1.00 N ATOM 665 CA ALA A 46 -13.526 8.683 8.501 1.00 1.00 C ATOM 666 C ALA A 46 -14.328 9.865 7.952 1.00 1.00 C ATOM 667 O ALA A 46 -13.762 10.830 7.442 1.00 1.00 O ATOM 668 CB ALA A 46 -13.932 7.355 7.860 1.00 1.00 C ATOM 0 H ALA A 46 -13.960 7.679 10.288 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.477 8.854 8.258 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -13.792 7.414 6.781 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -13.314 6.553 8.262 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -14.980 7.150 8.079 1.00 1.00 H new ATOM 674 N HIS A 47 -15.652 9.753 8.074 1.00 1.00 N ATOM 675 CA HIS A 47 -16.580 10.778 7.608 1.00 1.00 C ATOM 676 C HIS A 47 -16.388 12.065 8.431 1.00 1.00 C ATOM 677 O HIS A 47 -16.926 13.112 8.074 1.00 1.00 O ATOM 678 CB HIS A 47 -18.007 10.210 7.646 1.00 1.00 C ATOM 679 CG HIS A 47 -18.192 8.802 7.130 1.00 1.00 C ATOM 680 ND1 HIS A 47 -18.689 7.819 7.885 1.00 1.00 N ATOM 681 CD2 HIS A 47 -17.928 8.245 5.901 1.00 1.00 C ATOM 682 CE1 HIS A 47 -18.733 6.692 7.156 1.00 1.00 C ATOM 683 NE2 HIS A 47 -18.275 6.900 5.923 1.00 1.00 N ATOM 0 H HIS A 47 -16.109 8.947 8.500 1.00 1.00 H new ATOM 0 HA HIS A 47 -16.382 11.056 6.573 1.00 1.00 H new ATOM 0 HB2 HIS A 47 -18.359 10.243 8.677 1.00 1.00 H new ATOM 0 HB3 HIS A 47 -18.652 10.872 7.068 1.00 1.00 H new ATOM 0 HD2 HIS A 47 -17.516 8.770 5.052 1.00 1.00 H new ATOM 0 HE1 HIS A 47 -19.093 5.742 7.522 1.00 1.00 H new ATOM 0 HE2 HIS A 47 -18.196 6.223 5.164 1.00 1.00 H new ATOM 691 N GLY A 48 -15.624 11.942 9.506 1.00 1.00 N ATOM 692 CA GLY A 48 -15.360 13.080 10.371 1.00 1.00 C ATOM 693 C GLY A 48 -14.317 14.011 9.748 1.00 1.00 C ATOM 694 O GLY A 48 -14.426 14.380 8.580 1.00 1.00 O ATOM 0 H GLY A 48 -15.179 11.072 9.798 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -16.285 13.630 10.547 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -15.007 12.730 11.341 1.00 1.00 H new ATOM 698 N LYS A 49 -13.328 14.363 10.557 1.00 1.00 N ATOM 699 CA LYS A 49 -12.265 15.244 10.101 1.00 1.00 C ATOM 700 C LYS A 49 -10.968 14.444 9.966 1.00 1.00 C ATOM 701 O LYS A 49 -9.911 14.891 10.406 1.00 1.00 O ATOM 702 CB LYS A 49 -12.145 16.459 11.020 1.00 1.00 C ATOM 703 CG LYS A 49 -12.524 17.746 10.282 1.00 1.00 C ATOM 704 CD LYS A 49 -11.738 18.941 10.825 1.00 1.00 C ATOM 705 CE LYS A 49 -12.657 19.902 11.583 1.00 1.00 C ATOM 706 NZ LYS A 49 -12.149 20.135 12.953 1.00 1.00 N ATOM 0 H LYS A 49 -13.240 14.054 11.525 1.00 1.00 H new ATOM 0 HA LYS A 49 -12.498 15.643 9.114 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -12.793 16.329 11.887 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -11.124 16.537 11.394 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -12.326 17.630 9.216 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -13.593 17.930 10.390 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -10.947 18.590 11.487 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -11.255 19.467 10.002 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -12.723 20.849 11.048 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -13.665 19.490 11.628 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -12.785 20.789 13.452 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -12.109 19.232 13.467 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -11.196 20.548 12.904 1.00 1.00 H new ATOM 719 N GLY A 50 -11.093 13.273 9.357 1.00 1.00 N ATOM 720 CA GLY A 50 -9.943 12.407 9.158 1.00 1.00 C ATOM 721 C GLY A 50 -10.118 11.542 7.909 1.00 1.00 C ATOM 722 O GLY A 50 -9.676 10.394 7.877 1.00 1.00 O ATOM 0 H GLY A 50 -11.973 12.904 8.995 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -9.041 13.011 9.063 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -9.809 11.768 10.031 1.00 1.00 H new ATOM 726 N CYS A 51 -10.761 12.126 6.908 1.00 1.00 N ATOM 727 CA CYS A 51 -11.000 11.423 5.659 1.00 1.00 C ATOM 728 C CYS A 51 -11.840 12.325 4.753 1.00 1.00 C ATOM 729 O CYS A 51 -11.424 12.657 3.644 1.00 1.00 O ATOM 730 CB CYS A 51 -11.667 10.067 5.892 1.00 1.00 C ATOM 731 SG CYS A 51 -11.010 8.701 4.866 1.00 1.00 S ATOM 0 H CYS A 51 -11.124 13.079 6.937 1.00 1.00 H new ATOM 0 HA CYS A 51 -10.049 11.207 5.173 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -11.556 9.799 6.943 1.00 1.00 H new ATOM 0 HB3 CYS A 51 -12.735 10.166 5.699 1.00 1.00 H new ATOM 0 HG CYS A 51 -11.645 7.602 5.148 1.00 1.00 H new ATOM 736 N LYS A 52 -13.007 12.695 5.259 1.00 1.00 N ATOM 737 CA LYS A 52 -13.909 13.552 4.509 1.00 1.00 C ATOM 738 C LYS A 52 -13.761 14.994 4.998 1.00 1.00 C ATOM 739 O LYS A 52 -13.343 15.871 4.243 1.00 1.00 O ATOM 740 CB LYS A 52 -15.343 13.020 4.587 1.00 1.00 C ATOM 741 CG LYS A 52 -16.289 13.869 3.736 1.00 1.00 C ATOM 742 CD LYS A 52 -17.255 14.663 4.618 1.00 1.00 C ATOM 743 CE LYS A 52 -18.675 14.102 4.520 1.00 1.00 C ATOM 744 NZ LYS A 52 -18.797 12.859 5.314 1.00 1.00 N ATOM 0 H LYS A 52 -13.349 12.417 6.179 1.00 1.00 H new ATOM 0 HA LYS A 52 -13.648 13.546 3.451 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -15.370 11.985 4.245 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -15.680 13.022 5.624 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -15.711 14.554 3.116 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -16.853 13.226 3.060 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -16.918 14.630 5.654 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -17.252 15.710 4.315 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -19.390 14.842 4.879 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -18.922 13.900 3.478 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -19.792 12.712 5.578 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -18.466 12.052 4.748 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -18.218 12.939 6.174 1.00 1.00 H new ATOM 757 N GLY A 53 -14.114 15.196 6.261 1.00 1.00 N ATOM 758 CA GLY A 53 -14.026 16.516 6.859 1.00 1.00 C ATOM 759 C GLY A 53 -12.896 17.331 6.227 1.00 1.00 C ATOM 760 O GLY A 53 -13.113 18.456 5.779 1.00 1.00 O ATOM 0 H GLY A 53 -14.461 14.467 6.885 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -14.973 17.041 6.731 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -13.856 16.422 7.932 1.00 1.00 H new ATOM 764 N CYS A 54 -11.715 16.731 6.211 1.00 1.00 N ATOM 765 CA CYS A 54 -10.550 17.388 5.641 1.00 1.00 C ATOM 766 C CYS A 54 -10.962 18.032 4.315 1.00 1.00 C ATOM 767 O CYS A 54 -10.958 19.253 4.179 1.00 1.00 O ATOM 768 CB CYS A 54 -9.383 16.416 5.464 1.00 1.00 C ATOM 769 SG CYS A 54 -7.850 17.146 6.147 1.00 1.00 S ATOM 0 H CYS A 54 -11.539 15.798 6.583 1.00 1.00 H new ATOM 0 HA CYS A 54 -10.194 18.160 6.324 1.00 1.00 H new ATOM 0 HB2 CYS A 54 -9.603 15.475 5.968 1.00 1.00 H new ATOM 0 HB3 CYS A 54 -9.247 16.187 4.407 1.00 1.00 H new ATOM 0 HG CYS A 54 -6.866 16.311 5.993 1.00 1.00 H new ATOM 774 N HIS A 55 -11.314 17.173 3.358 1.00 1.00 N ATOM 775 CA HIS A 55 -11.737 17.599 2.028 1.00 1.00 C ATOM 776 C HIS A 55 -12.721 18.777 2.148 1.00 1.00 C ATOM 777 O HIS A 55 -12.596 19.764 1.423 1.00 1.00 O ATOM 778 CB HIS A 55 -12.294 16.385 1.270 1.00 1.00 C ATOM 779 CG HIS A 55 -11.402 15.168 1.187 1.00 1.00 C ATOM 780 ND1 HIS A 55 -10.046 15.049 0.994 1.00 1.00 N flip ATOM 781 CD2 HIS A 55 -11.871 13.922 1.306 1.00 1.00 C flip ATOM 782 CE1 HIS A 55 -9.699 13.703 0.995 1.00 1.00 C flip ATOM 783 NE2 HIS A 55 -10.849 13.061 1.189 1.00 1.00 N flip ATOM 0 H HIS A 55 -11.313 16.161 3.486 1.00 1.00 H new ATOM 0 HA HIS A 55 -10.897 17.973 1.443 1.00 1.00 H new ATOM 0 HB2 HIS A 55 -13.230 16.089 1.743 1.00 1.00 H new ATOM 0 HB3 HIS A 55 -12.536 16.700 0.255 1.00 1.00 H new ATOM 0 HD2 HIS A 55 -12.904 13.652 1.470 1.00 1.00 H new ATOM 0 HE1 HIS A 55 -8.716 13.274 0.867 1.00 1.00 H new ATOM 0 HE2 HIS A 55 -10.941 12.047 1.242 1.00 1.00 H new ATOM 791 N GLU A 56 -13.669 18.634 3.062 1.00 1.00 N ATOM 792 CA GLU A 56 -14.663 19.671 3.279 1.00 1.00 C ATOM 793 C GLU A 56 -13.991 20.956 3.764 1.00 1.00 C ATOM 794 O GLU A 56 -14.478 22.054 3.499 1.00 1.00 O ATOM 795 CB GLU A 56 -15.734 19.206 4.267 1.00 1.00 C ATOM 796 CG GLU A 56 -16.672 20.355 4.641 1.00 1.00 C ATOM 797 CD GLU A 56 -18.133 19.971 4.402 1.00 1.00 C ATOM 798 OE1 GLU A 56 -18.512 18.810 4.619 1.00 1.00 O ATOM 799 OE2 GLU A 56 -18.887 20.928 3.977 1.00 1.00 O ATOM 0 H GLU A 56 -13.770 17.815 3.661 1.00 1.00 H new ATOM 0 HA GLU A 56 -15.157 19.878 2.330 1.00 1.00 H new ATOM 0 HB2 GLU A 56 -16.309 18.391 3.828 1.00 1.00 H new ATOM 0 HB3 GLU A 56 -15.259 18.813 5.166 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -16.529 20.620 5.689 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -16.424 21.238 4.052 1.00 1.00 H new ATOM 807 N GLU A 57 -12.882 20.778 4.467 1.00 1.00 N ATOM 808 CA GLU A 57 -12.138 21.911 4.992 1.00 1.00 C ATOM 809 C GLU A 57 -11.122 22.403 3.958 1.00 1.00 C ATOM 810 O GLU A 57 -11.151 23.566 3.559 1.00 1.00 O ATOM 811 CB GLU A 57 -11.449 21.550 6.310 1.00 1.00 C ATOM 812 CG GLU A 57 -12.369 21.821 7.502 1.00 1.00 C ATOM 813 CD GLU A 57 -11.660 22.669 8.559 1.00 1.00 C ATOM 814 OE1 GLU A 57 -10.496 22.402 8.891 1.00 1.00 O ATOM 815 OE2 GLU A 57 -12.363 23.637 9.043 1.00 1.00 O ATOM 0 H GLU A 57 -12.481 19.866 4.685 1.00 1.00 H new ATOM 0 HA GLU A 57 -12.840 22.720 5.196 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -11.163 20.498 6.299 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -10.531 22.129 6.415 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -13.269 22.334 7.162 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -12.688 20.876 7.942 1.00 1.00 H new ATOM 823 N MET A 58 -10.248 21.493 3.555 1.00 1.00 N ATOM 824 CA MET A 58 -9.224 21.820 2.576 1.00 1.00 C ATOM 825 C MET A 58 -9.853 22.314 1.272 1.00 1.00 C ATOM 826 O MET A 58 -9.187 22.956 0.461 1.00 1.00 O ATOM 827 CB MET A 58 -8.372 20.582 2.296 1.00 1.00 C ATOM 828 CG MET A 58 -6.880 20.922 2.339 1.00 1.00 C ATOM 829 SD MET A 58 -5.944 19.494 2.858 1.00 1.00 S ATOM 830 CE MET A 58 -4.388 19.835 2.053 1.00 1.00 C ATOM 0 H MET A 58 -10.227 20.529 3.888 1.00 1.00 H new ATOM 0 HA MET A 58 -8.600 22.616 2.981 1.00 1.00 H new ATOM 0 HB2 MET A 58 -8.594 19.809 3.032 1.00 1.00 H new ATOM 0 HB3 MET A 58 -8.628 20.174 1.318 1.00 1.00 H new ATOM 0 HG2 MET A 58 -6.545 21.249 1.355 1.00 1.00 H new ATOM 0 HG3 MET A 58 -6.707 21.750 3.026 1.00 1.00 H new ATOM 0 HE1 MET A 58 -3.570 19.470 2.673 1.00 1.00 H new ATOM 0 HE2 MET A 58 -4.361 19.334 1.085 1.00 1.00 H new ATOM 0 HE3 MET A 58 -4.281 20.910 1.908 1.00 1.00 H new ATOM 840 N LYS A 59 -11.129 21.995 1.108 1.00 1.00 N ATOM 841 CA LYS A 59 -11.854 22.397 -0.085 1.00 1.00 C ATOM 842 C LYS A 59 -11.315 21.625 -1.290 1.00 1.00 C ATOM 843 O LYS A 59 -11.612 21.965 -2.434 1.00 1.00 O ATOM 844 CB LYS A 59 -11.802 23.917 -0.255 1.00 1.00 C ATOM 845 CG LYS A 59 -13.153 24.553 0.081 1.00 1.00 C ATOM 846 CD LYS A 59 -12.969 25.828 0.907 1.00 1.00 C ATOM 847 CE LYS A 59 -13.912 25.841 2.111 1.00 1.00 C ATOM 848 NZ LYS A 59 -14.997 26.827 1.908 1.00 1.00 N ATOM 0 H LYS A 59 -11.679 21.463 1.782 1.00 1.00 H new ATOM 0 HA LYS A 59 -12.910 22.144 0.008 1.00 1.00 H new ATOM 0 HB2 LYS A 59 -11.029 24.333 0.392 1.00 1.00 H new ATOM 0 HB3 LYS A 59 -11.525 24.163 -1.280 1.00 1.00 H new ATOM 0 HG2 LYS A 59 -13.688 24.786 -0.840 1.00 1.00 H new ATOM 0 HG3 LYS A 59 -13.766 23.842 0.635 1.00 1.00 H new ATOM 0 HD2 LYS A 59 -11.936 25.899 1.248 1.00 1.00 H new ATOM 0 HD3 LYS A 59 -13.159 26.701 0.282 1.00 1.00 H new ATOM 0 HE2 LYS A 59 -14.337 24.848 2.258 1.00 1.00 H new ATOM 0 HE3 LYS A 59 -13.354 26.086 3.015 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 -15.628 26.823 2.734 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 -14.587 27.775 1.790 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 -15.539 26.576 1.057 1.00 1.00 H new ATOM 861 N LYS A 60 -10.532 20.598 -0.993 1.00 1.00 N ATOM 862 CA LYS A 60 -9.949 19.774 -2.037 1.00 1.00 C ATOM 863 C LYS A 60 -10.153 18.298 -1.691 1.00 1.00 C ATOM 864 O LYS A 60 -9.856 17.871 -0.577 1.00 1.00 O ATOM 865 CB LYS A 60 -8.484 20.154 -2.264 1.00 1.00 C ATOM 866 CG LYS A 60 -7.771 20.407 -0.934 1.00 1.00 C ATOM 867 CD LYS A 60 -6.341 20.900 -1.164 1.00 1.00 C ATOM 868 CE LYS A 60 -6.307 22.420 -1.336 1.00 1.00 C ATOM 869 NZ LYS A 60 -6.255 22.780 -2.771 1.00 1.00 N ATOM 0 H LYS A 60 -10.288 20.318 -0.043 1.00 1.00 H new ATOM 0 HA LYS A 60 -10.453 19.952 -2.987 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -7.977 19.356 -2.806 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.428 21.047 -2.886 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.325 21.145 -0.355 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -7.753 19.489 -0.346 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -5.713 20.612 -0.321 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -5.925 20.421 -2.050 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -7.190 22.863 -0.876 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -5.439 22.831 -0.821 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -5.819 23.718 -2.878 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -5.689 22.075 -3.286 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -7.220 22.800 -3.159 1.00 1.00 H new ATOM 882 N GLY A 61 -10.662 17.559 -2.666 1.00 1.00 N ATOM 883 CA GLY A 61 -10.911 16.140 -2.479 1.00 1.00 C ATOM 884 C GLY A 61 -12.383 15.804 -2.727 1.00 1.00 C ATOM 885 O GLY A 61 -13.248 16.675 -2.799 1.00 1.00 O ATOM 0 H GLY A 61 -10.909 17.917 -3.589 1.00 1.00 H new ATOM 0 HA2 GLY A 61 -10.283 15.564 -3.159 1.00 1.00 H new ATOM 0 HA3 GLY A 61 -10.634 15.849 -1.466 1.00 1.00 H new ATOM 889 N PRO A 62 -12.651 14.502 -2.856 1.00 1.00 N ATOM 890 CA PRO A 62 -13.972 13.961 -3.092 1.00 1.00 C ATOM 891 C PRO A 62 -14.646 13.662 -1.760 1.00 1.00 C ATOM 892 O PRO A 62 -13.966 13.218 -0.837 1.00 1.00 O ATOM 893 CB PRO A 62 -13.733 12.679 -3.885 1.00 1.00 C ATOM 894 CG PRO A 62 -12.348 12.215 -3.347 1.00 1.00 C ATOM 895 CD PRO A 62 -11.658 13.453 -2.776 1.00 1.00 C ATOM 0 HA PRO A 62 -14.623 14.649 -3.631 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -14.510 11.937 -3.703 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -13.712 12.862 -4.959 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -12.468 11.451 -2.579 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -11.751 11.774 -4.145 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -11.339 13.288 -1.747 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -10.767 13.708 -3.349 1.00 1.00 H new ATOM 903 N THR A 63 -15.947 13.906 -1.685 1.00 1.00 N ATOM 904 CA THR A 63 -16.685 13.656 -0.459 1.00 1.00 C ATOM 905 C THR A 63 -17.771 12.606 -0.696 1.00 1.00 C ATOM 906 O THR A 63 -18.266 11.994 0.250 1.00 1.00 O ATOM 907 CB THR A 63 -17.232 14.994 0.044 1.00 1.00 C ATOM 908 OG1 THR A 63 -18.096 15.430 -1.001 1.00 1.00 O ATOM 909 CG2 THR A 63 -16.155 16.078 0.114 1.00 1.00 C ATOM 0 H THR A 63 -16.508 14.274 -2.453 1.00 1.00 H new ATOM 0 HA THR A 63 -16.039 13.241 0.315 1.00 1.00 H new ATOM 0 HB THR A 63 -17.674 14.858 1.031 1.00 1.00 H new ATOM 0 HG1 THR A 63 -18.496 16.291 -0.757 1.00 1.00 H new ATOM 0 HG21 THR A 63 -16.596 17.006 0.477 1.00 1.00 H new ATOM 0 HG22 THR A 63 -15.364 15.762 0.794 1.00 1.00 H new ATOM 0 HG23 THR A 63 -15.736 16.239 -0.879 1.00 1.00 H new ATOM 915 N LYS A 64 -18.112 12.428 -1.964 1.00 1.00 N ATOM 916 CA LYS A 64 -19.131 11.462 -2.337 1.00 1.00 C ATOM 917 C LYS A 64 -18.713 10.072 -1.854 1.00 1.00 C ATOM 918 O LYS A 64 -17.524 9.800 -1.691 1.00 1.00 O ATOM 919 CB LYS A 64 -19.410 11.531 -3.839 1.00 1.00 C ATOM 920 CG LYS A 64 -20.162 12.816 -4.199 1.00 1.00 C ATOM 921 CD LYS A 64 -21.675 12.597 -4.155 1.00 1.00 C ATOM 922 CE LYS A 64 -22.336 13.541 -3.149 1.00 1.00 C ATOM 923 NZ LYS A 64 -23.092 14.601 -3.853 1.00 1.00 N ATOM 0 H LYS A 64 -17.700 12.937 -2.746 1.00 1.00 H new ATOM 0 HA LYS A 64 -20.076 11.699 -1.848 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -18.470 11.489 -4.389 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -19.997 10.664 -4.144 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -19.886 13.610 -3.505 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -19.868 13.147 -5.195 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -22.099 12.761 -5.146 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -21.889 11.563 -3.884 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -23.006 12.978 -2.499 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -21.576 13.991 -2.510 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -23.535 15.233 -3.156 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -22.444 15.148 -4.455 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -23.830 14.167 -4.444 1.00 1.00 H new ATOM 936 N CYS A 65 -19.711 9.231 -1.636 1.00 1.00 N ATOM 937 CA CYS A 65 -19.462 7.875 -1.174 1.00 1.00 C ATOM 938 C CYS A 65 -18.803 7.094 -2.311 1.00 1.00 C ATOM 939 O CYS A 65 -17.693 6.584 -2.159 1.00 1.00 O ATOM 940 CB CYS A 65 -20.743 7.199 -0.684 1.00 1.00 C ATOM 941 SG CYS A 65 -22.086 8.349 -0.213 1.00 1.00 S ATOM 0 H CYS A 65 -20.696 9.461 -1.770 1.00 1.00 H new ATOM 0 HA CYS A 65 -18.792 7.899 -0.315 1.00 1.00 H new ATOM 0 HB2 CYS A 65 -21.110 6.536 -1.468 1.00 1.00 H new ATOM 0 HB3 CYS A 65 -20.501 6.574 0.175 1.00 1.00 H new ATOM 0 HG CYS A 65 -22.515 8.971 -1.271 1.00 1.00 H new ATOM 946 N GLY A 66 -19.514 7.023 -3.428 1.00 1.00 N ATOM 947 CA GLY A 66 -19.012 6.311 -4.590 1.00 1.00 C ATOM 948 C GLY A 66 -17.541 6.648 -4.848 1.00 1.00 C ATOM 949 O GLY A 66 -16.822 5.869 -5.471 1.00 1.00 O ATOM 0 H GLY A 66 -20.433 7.447 -3.552 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -19.121 5.237 -4.438 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -19.607 6.571 -5.465 1.00 1.00 H new ATOM 953 N GLU A 67 -17.137 7.809 -4.352 1.00 1.00 N ATOM 954 CA GLU A 67 -15.766 8.258 -4.520 1.00 1.00 C ATOM 955 C GLU A 67 -14.833 7.468 -3.598 1.00 1.00 C ATOM 956 O GLU A 67 -13.709 7.144 -3.978 1.00 1.00 O ATOM 957 CB GLU A 67 -15.646 9.761 -4.263 1.00 1.00 C ATOM 958 CG GLU A 67 -16.387 10.562 -5.335 1.00 1.00 C ATOM 959 CD GLU A 67 -15.582 10.612 -6.635 1.00 1.00 C ATOM 960 OE1 GLU A 67 -14.925 9.626 -6.996 1.00 1.00 O ATOM 961 OE2 GLU A 67 -15.659 11.727 -7.281 1.00 1.00 O ATOM 0 H GLU A 67 -17.736 8.452 -3.834 1.00 1.00 H new ATOM 0 HA GLU A 67 -15.468 8.074 -5.552 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -16.053 9.999 -3.280 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -14.595 10.049 -4.251 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -17.361 10.111 -5.523 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -16.569 11.575 -4.976 1.00 1.00 H new ATOM 969 N CYS A 68 -15.335 7.181 -2.406 1.00 1.00 N ATOM 970 CA CYS A 68 -14.559 6.435 -1.429 1.00 1.00 C ATOM 971 C CYS A 68 -14.965 4.962 -1.517 1.00 1.00 C ATOM 972 O CYS A 68 -14.116 4.081 -1.626 1.00 1.00 O ATOM 973 CB CYS A 68 -14.743 6.994 -0.017 1.00 1.00 C ATOM 974 SG CYS A 68 -13.529 8.327 0.292 1.00 1.00 S ATOM 0 H CYS A 68 -16.268 7.451 -2.095 1.00 1.00 H new ATOM 0 HA CYS A 68 -13.497 6.532 -1.653 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -15.756 7.379 0.101 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -14.616 6.198 0.717 1.00 1.00 H new ATOM 0 HG CYS A 68 -13.696 8.796 1.493 1.00 1.00 H new ATOM 979 N HIS A 69 -16.277 4.735 -1.467 1.00 1.00 N ATOM 980 CA HIS A 69 -16.852 3.396 -1.537 1.00 1.00 C ATOM 981 C HIS A 69 -17.076 3.002 -3.009 1.00 1.00 C ATOM 982 O HIS A 69 -17.599 3.796 -3.789 1.00 1.00 O ATOM 983 CB HIS A 69 -18.120 3.354 -0.672 1.00 1.00 C ATOM 984 CG HIS A 69 -17.943 3.615 0.806 1.00 1.00 C ATOM 985 ND1 HIS A 69 -17.400 2.718 1.635 1.00 1.00 N ATOM 986 CD2 HIS A 69 -18.259 4.707 1.578 1.00 1.00 C ATOM 987 CE1 HIS A 69 -17.378 3.232 2.875 1.00 1.00 C ATOM 988 NE2 HIS A 69 -17.897 4.459 2.896 1.00 1.00 N ATOM 0 H HIS A 69 -16.971 5.477 -1.377 1.00 1.00 H new ATOM 0 HA HIS A 69 -16.171 2.648 -1.131 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -18.824 4.087 -1.065 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -18.581 2.374 -0.791 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -17.058 1.794 1.369 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -18.717 5.616 1.217 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -16.990 2.718 3.742 1.00 1.00 H new ATOM 996 N LYS A 70 -16.671 1.784 -3.337 1.00 1.00 N ATOM 997 CA LYS A 70 -16.825 1.284 -4.693 1.00 1.00 C ATOM 998 C LYS A 70 -17.685 0.019 -4.672 1.00 1.00 C ATOM 999 O LYS A 70 -17.367 -0.941 -3.972 1.00 1.00 O ATOM 1000 CB LYS A 70 -15.455 1.086 -5.348 1.00 1.00 C ATOM 1001 CG LYS A 70 -15.568 1.124 -6.873 1.00 1.00 C ATOM 1002 CD LYS A 70 -16.189 -0.168 -7.409 1.00 1.00 C ATOM 1003 CE LYS A 70 -15.963 -0.300 -8.917 1.00 1.00 C ATOM 1004 NZ LYS A 70 -17.178 -0.827 -9.578 1.00 1.00 N ATOM 0 H LYS A 70 -16.236 1.129 -2.687 1.00 1.00 H new ATOM 0 HA LYS A 70 -17.348 2.014 -5.312 1.00 1.00 H new ATOM 0 HB2 LYS A 70 -14.770 1.864 -5.011 1.00 1.00 H new ATOM 0 HB3 LYS A 70 -15.032 0.132 -5.034 1.00 1.00 H new ATOM 0 HG2 LYS A 70 -16.176 1.977 -7.175 1.00 1.00 H new ATOM 0 HG3 LYS A 70 -14.580 1.266 -7.311 1.00 1.00 H new ATOM 0 HD2 LYS A 70 -15.753 -1.025 -6.896 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -17.258 -0.178 -7.195 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -15.705 0.671 -9.339 1.00 1.00 H new ATOM 0 HE3 LYS A 70 -15.120 -0.965 -9.108 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 -17.353 -0.297 -10.456 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 -17.042 -1.833 -9.802 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 -17.993 -0.721 -8.941 1.00 1.00 H new ATOM 1017 N LYS A 71 -18.758 0.060 -5.448 1.00 1.00 N ATOM 1018 CA LYS A 71 -19.667 -1.072 -5.528 1.00 1.00 C ATOM 1019 C LYS A 71 -19.935 -1.402 -6.997 1.00 1.00 C ATOM 1020 O LYS A 71 -19.915 -0.517 -7.850 1.00 1.00 O ATOM 1021 CB LYS A 71 -20.935 -0.798 -4.717 1.00 1.00 C ATOM 1022 CG LYS A 71 -20.924 -1.576 -3.401 1.00 1.00 C ATOM 1023 CD LYS A 71 -22.348 -1.851 -2.914 1.00 1.00 C ATOM 1024 CE LYS A 71 -22.897 -0.662 -2.124 1.00 1.00 C ATOM 1025 NZ LYS A 71 -23.976 0.010 -2.882 1.00 1.00 N ATOM 0 H LYS A 71 -19.019 0.858 -6.027 1.00 1.00 H new ATOM 0 HA LYS A 71 -19.215 -1.957 -5.080 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -21.016 0.269 -4.512 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -21.812 -1.077 -5.301 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -20.394 -2.519 -3.536 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -20.380 -1.010 -2.645 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -22.995 -2.055 -3.767 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -22.356 -2.743 -2.288 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -23.278 -1.002 -1.161 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -22.095 0.046 -1.917 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -24.338 0.815 -2.332 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -23.601 0.352 -3.790 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -24.748 -0.664 -3.058 1.00 1.00 H new