USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 79 HIS HD1 : A 79 HIS ND1 : A 138 ZNZN :(H bumps) USER MOD NoAdj-H: A 102 HIS HE2 : A 102 HIS NE2 : A 139 ZNZN :(H bumps) USER MOD Set 1.1: A 73 HIS : no HD1:sc= -1.27 K(o=-3,f=-5.7!) USER MOD Set 1.2: A 99 SER OG : rot -153:sc= -1.74 USER MOD Single : A 55 GLN : amide:sc= -0.586 K(o=-0.59,f=-1.1) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00027 USER MOD Single : A 63 MET CE :methyl -155:sc= -0.129 (180deg=-0.599) USER MOD Single : A 64 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.138) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -3.03 K(o=-3,f=-3.8!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0.00952 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc=-0.00445 K(o=-0.0045,f=-1.2) USER MOD Single : A 92 GLN : amide:sc= -0.623 K(o=-0.62,f=-6!) USER MOD Single : A 96 GLN : amide:sc= -0.157 K(o=-0.16,f=-2.2!) USER MOD Single : A 97 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 LYS NZ :NH3+ -122:sc= 0.216 (180deg=-2.79!) USER MOD Single : A 113 SER OG : rot 180:sc= -0.199 USER MOD Single : A 121 HIS : no HD1:sc= -0.275 X(o=-0.28,f=-0.062) USER MOD Single : A 122 ASN : amide:sc= 0.52 K(o=0.52,f=-5.2!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 51 -7.474 24.010 3.695 1.00 0.00 N ATOM 2 CA LEU A 51 -7.484 24.120 2.212 1.00 0.00 C ATOM 3 C LEU A 51 -8.100 22.881 1.571 1.00 0.00 C ATOM 4 O LEU A 51 -7.791 21.753 1.953 1.00 0.00 O ATOM 5 CB LEU A 51 -6.045 24.310 1.729 1.00 0.00 C ATOM 6 CG LEU A 51 -5.684 25.741 1.320 1.00 0.00 C ATOM 7 CD1 LEU A 51 -4.413 26.195 2.021 1.00 0.00 C ATOM 8 CD2 LEU A 51 -5.525 25.841 -0.191 1.00 0.00 C ATOM 0 HA LEU A 51 -8.093 24.975 1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.367 23.992 2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.873 23.651 0.878 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.497 26.399 1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.174 27.214 1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.562 26.164 3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.591 25.533 1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.269 26.865 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.732 25.169 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.461 25.561 -0.675 1.00 0.00 H new ATOM 20 N ARG A 52 -8.974 23.099 0.594 1.00 0.00 N ATOM 21 CA ARG A 52 -9.633 22.000 -0.101 1.00 0.00 C ATOM 22 C ARG A 52 -8.802 21.532 -1.293 1.00 0.00 C ATOM 23 O ARG A 52 -8.984 22.006 -2.414 1.00 0.00 O ATOM 24 CB ARG A 52 -11.026 22.425 -0.568 1.00 0.00 C ATOM 25 CG ARG A 52 -12.140 21.587 0.032 1.00 0.00 C ATOM 26 CD ARG A 52 -13.409 21.675 -0.797 1.00 0.00 C ATOM 27 NE ARG A 52 -13.176 21.327 -2.196 1.00 0.00 N ATOM 28 CZ ARG A 52 -12.945 20.087 -2.623 1.00 0.00 C ATOM 29 NH1 ARG A 52 -12.915 19.078 -1.763 1.00 0.00 N ATOM 30 NH2 ARG A 52 -12.744 19.858 -3.914 1.00 0.00 N ATOM 0 H ARG A 52 -9.242 24.027 0.266 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.731 21.169 0.597 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.186 23.471 -0.307 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.074 22.357 -1.655 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.819 20.547 0.099 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.344 21.924 1.048 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.162 21.007 -0.378 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.811 22.686 -0.737 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.191 22.078 -2.886 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.069 19.250 -0.770 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.738 18.130 -2.095 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.766 20.631 -4.579 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.567 18.909 -4.242 1.00 0.00 H new ATOM 44 N LEU A 53 -7.890 20.598 -1.042 1.00 0.00 N ATOM 45 CA LEU A 53 -7.031 20.066 -2.095 1.00 0.00 C ATOM 46 C LEU A 53 -6.884 18.552 -1.968 1.00 0.00 C ATOM 47 O LEU A 53 -5.918 17.971 -2.461 1.00 0.00 O ATOM 48 CB LEU A 53 -5.652 20.728 -2.040 1.00 0.00 C ATOM 49 CG LEU A 53 -5.661 22.217 -1.685 1.00 0.00 C ATOM 50 CD1 LEU A 53 -4.337 22.624 -1.062 1.00 0.00 C ATOM 51 CD2 LEU A 53 -5.953 23.056 -2.921 1.00 0.00 C ATOM 0 H LEU A 53 -7.727 20.194 -0.120 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.497 20.288 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.041 20.199 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.168 20.604 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.451 22.394 -0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.362 23.686 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.169 22.045 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.529 22.434 -1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.956 24.112 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.185 22.875 -3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.928 22.782 -3.325 1.00 0.00 H new ATOM 63 N CYS A 54 -7.848 17.918 -1.309 1.00 0.00 N ATOM 64 CA CYS A 54 -7.822 16.473 -1.123 1.00 0.00 C ATOM 65 C CYS A 54 -8.452 15.759 -2.316 1.00 0.00 C ATOM 66 O CYS A 54 -9.519 16.149 -2.791 1.00 0.00 O ATOM 67 CB CYS A 54 -8.559 16.090 0.163 1.00 0.00 C ATOM 68 SG CYS A 54 -8.072 14.486 0.842 1.00 0.00 S ATOM 0 H CYS A 54 -8.656 18.382 -0.895 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.781 16.160 -1.044 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.381 16.860 0.914 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.631 16.079 -0.035 1.00 0.00 H new ATOM 73 N GLN A 55 -7.785 14.714 -2.794 1.00 0.00 N ATOM 74 CA GLN A 55 -8.280 13.948 -3.930 1.00 0.00 C ATOM 75 C GLN A 55 -9.580 13.233 -3.581 1.00 0.00 C ATOM 76 O GLN A 55 -10.432 13.016 -4.443 1.00 0.00 O ATOM 77 CB GLN A 55 -7.230 12.929 -4.379 1.00 0.00 C ATOM 78 CG GLN A 55 -6.904 11.884 -3.324 1.00 0.00 C ATOM 79 CD GLN A 55 -6.031 10.766 -3.858 1.00 0.00 C ATOM 80 OE1 GLN A 55 -6.435 10.018 -4.749 1.00 0.00 O ATOM 81 NE2 GLN A 55 -4.825 10.648 -3.317 1.00 0.00 N ATOM 0 H GLN A 55 -6.901 14.379 -2.412 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.477 14.643 -4.746 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.585 12.426 -5.278 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.316 13.457 -4.649 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.399 12.365 -2.486 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.832 11.462 -2.938 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.531 11.290 -2.581 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.192 9.915 -3.637 1.00 0.00 H new ATOM 90 N VAL A 56 -9.729 12.870 -2.311 1.00 0.00 N ATOM 91 CA VAL A 56 -10.929 12.181 -1.848 1.00 0.00 C ATOM 92 C VAL A 56 -12.137 13.110 -1.868 1.00 0.00 C ATOM 93 O VAL A 56 -12.017 14.307 -1.607 1.00 0.00 O ATOM 94 CB VAL A 56 -10.751 11.626 -0.422 1.00 0.00 C ATOM 95 CG1 VAL A 56 -11.853 10.628 -0.098 1.00 0.00 C ATOM 96 CG2 VAL A 56 -9.379 10.986 -0.261 1.00 0.00 C ATOM 0 H VAL A 56 -9.034 13.041 -1.584 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.096 11.350 -2.533 1.00 0.00 H new ATOM 0 HB VAL A 56 -10.822 12.456 0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.712 10.246 0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.823 11.121 -0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.815 9.801 -0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.274 10.601 0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.274 10.167 -0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.606 11.731 -0.448 1.00 0.00 H new ATOM 106 N ASP A 57 -13.300 12.550 -2.181 1.00 0.00 N ATOM 107 CA ASP A 57 -14.532 13.327 -2.234 1.00 0.00 C ATOM 108 C ASP A 57 -15.229 13.340 -0.877 1.00 0.00 C ATOM 109 O ASP A 57 -14.979 12.479 -0.033 1.00 0.00 O ATOM 110 CB ASP A 57 -15.472 12.758 -3.297 1.00 0.00 C ATOM 111 CG ASP A 57 -15.143 13.261 -4.689 1.00 0.00 C ATOM 112 OD1 ASP A 57 -15.547 14.396 -5.021 1.00 0.00 O ATOM 113 OD2 ASP A 57 -14.483 12.521 -5.447 1.00 0.00 O ATOM 0 H ASP A 57 -13.415 11.561 -2.402 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.273 14.352 -2.498 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.414 11.670 -3.284 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -16.499 13.026 -3.050 1.00 0.00 H new ATOM 118 N ARG A 58 -16.105 14.318 -0.677 1.00 0.00 N ATOM 119 CA ARG A 58 -16.843 14.444 0.574 1.00 0.00 C ATOM 120 C ARG A 58 -15.900 14.661 1.756 1.00 0.00 C ATOM 121 O ARG A 58 -16.238 14.343 2.895 1.00 0.00 O ATOM 122 CB ARG A 58 -17.699 13.199 0.813 1.00 0.00 C ATOM 123 CG ARG A 58 -19.002 13.199 0.030 1.00 0.00 C ATOM 124 CD ARG A 58 -18.757 13.025 -1.460 1.00 0.00 C ATOM 125 NE ARG A 58 -19.905 12.423 -2.136 1.00 0.00 N ATOM 126 CZ ARG A 58 -20.998 13.097 -2.481 1.00 0.00 C ATOM 127 NH1 ARG A 58 -21.097 14.395 -2.217 1.00 0.00 N ATOM 128 NH2 ARG A 58 -21.995 12.473 -3.094 1.00 0.00 N ATOM 0 H ARG A 58 -16.322 15.037 -1.367 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.492 15.316 0.491 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -17.122 12.314 0.543 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -17.924 13.121 1.877 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -19.644 12.395 0.390 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -19.533 14.135 0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -18.540 13.995 -1.908 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -17.877 12.400 -1.612 1.00 0.00 H new ATOM 0 HE ARG A 58 -19.865 11.428 -2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -20.332 14.880 -1.747 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -21.938 14.907 -2.484 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -21.923 11.477 -3.300 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -22.834 12.989 -3.359 1.00 0.00 H new ATOM 142 N CYS A 59 -14.718 15.205 1.479 1.00 0.00 N ATOM 143 CA CYS A 59 -13.735 15.463 2.525 1.00 0.00 C ATOM 144 C CYS A 59 -14.048 16.768 3.251 1.00 0.00 C ATOM 145 O CYS A 59 -13.760 17.855 2.748 1.00 0.00 O ATOM 146 CB CYS A 59 -12.325 15.522 1.932 1.00 0.00 C ATOM 147 SG CYS A 59 -11.026 15.866 3.141 1.00 0.00 S ATOM 0 H CYS A 59 -14.419 15.475 0.542 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.783 14.644 3.243 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.109 14.572 1.443 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.300 16.291 1.160 1.00 0.00 H new ATOM 152 N THR A 60 -14.639 16.654 4.436 1.00 0.00 N ATOM 153 CA THR A 60 -14.990 17.824 5.231 1.00 0.00 C ATOM 154 C THR A 60 -13.941 18.096 6.304 1.00 0.00 C ATOM 155 O THR A 60 -14.246 18.671 7.350 1.00 0.00 O ATOM 156 CB THR A 60 -16.364 17.655 5.904 1.00 0.00 C ATOM 157 OG1 THR A 60 -16.434 16.385 6.563 1.00 0.00 O ATOM 158 CG2 THR A 60 -17.485 17.763 4.880 1.00 0.00 C ATOM 0 H THR A 60 -14.885 15.763 4.867 1.00 0.00 H new ATOM 0 HA THR A 60 -15.032 18.670 4.545 1.00 0.00 H new ATOM 0 HB THR A 60 -16.485 18.452 6.638 1.00 0.00 H new ATOM 0 HG1 THR A 60 -17.310 16.286 6.990 1.00 0.00 H new ATOM 0 HG21 THR A 60 -18.446 17.640 5.379 1.00 0.00 H new ATOM 0 HG22 THR A 60 -17.447 18.741 4.401 1.00 0.00 H new ATOM 0 HG23 THR A 60 -17.365 16.985 4.126 1.00 0.00 H new ATOM 166 N ALA A 61 -12.706 17.681 6.040 1.00 0.00 N ATOM 167 CA ALA A 61 -11.614 17.882 6.986 1.00 0.00 C ATOM 168 C ALA A 61 -10.911 19.212 6.735 1.00 0.00 C ATOM 169 O ALA A 61 -11.006 19.782 5.649 1.00 0.00 O ATOM 170 CB ALA A 61 -10.623 16.732 6.898 1.00 0.00 C ATOM 0 H ALA A 61 -12.437 17.204 5.180 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.034 17.907 7.991 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.813 16.894 7.609 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.130 15.796 7.133 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.215 16.680 5.889 1.00 0.00 H new ATOM 176 N ASP A 62 -10.203 19.699 7.749 1.00 0.00 N ATOM 177 CA ASP A 62 -9.482 20.963 7.639 1.00 0.00 C ATOM 178 C ASP A 62 -8.004 20.721 7.348 1.00 0.00 C ATOM 179 O ASP A 62 -7.299 20.100 8.142 1.00 0.00 O ATOM 180 CB ASP A 62 -9.633 21.775 8.926 1.00 0.00 C ATOM 181 CG ASP A 62 -9.108 23.191 8.780 1.00 0.00 C ATOM 182 OD1 ASP A 62 -7.904 23.351 8.485 1.00 0.00 O ATOM 183 OD2 ASP A 62 -9.900 24.139 8.960 1.00 0.00 O ATOM 0 H ASP A 62 -10.113 19.239 8.655 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.911 21.526 6.810 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.685 21.808 9.211 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.099 21.274 9.734 1.00 0.00 H new ATOM 188 N MET A 63 -7.542 21.214 6.202 1.00 0.00 N ATOM 189 CA MET A 63 -6.149 21.051 5.806 1.00 0.00 C ATOM 190 C MET A 63 -5.460 22.405 5.666 1.00 0.00 C ATOM 191 O MET A 63 -4.553 22.569 4.849 1.00 0.00 O ATOM 192 CB MET A 63 -6.059 20.279 4.488 1.00 0.00 C ATOM 193 CG MET A 63 -5.928 18.776 4.674 1.00 0.00 C ATOM 194 SD MET A 63 -4.288 18.160 4.243 1.00 0.00 S ATOM 195 CE MET A 63 -4.230 18.542 2.495 1.00 0.00 C ATOM 0 H MET A 63 -8.113 21.729 5.532 1.00 0.00 H new ATOM 0 HA MET A 63 -5.639 20.485 6.586 1.00 0.00 H new ATOM 0 HB2 MET A 63 -6.948 20.487 3.892 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.203 20.643 3.920 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.146 18.522 5.712 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.674 18.272 4.059 1.00 0.00 H new ATOM 0 HE1 MET A 63 -3.532 17.868 1.998 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.223 18.419 2.063 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.900 19.572 2.358 1.00 0.00 H new ATOM 205 N LYS A 64 -5.898 23.372 6.465 1.00 0.00 N ATOM 206 CA LYS A 64 -5.323 24.712 6.430 1.00 0.00 C ATOM 207 C LYS A 64 -3.881 24.698 6.926 1.00 0.00 C ATOM 208 O LYS A 64 -3.053 25.493 6.480 1.00 0.00 O ATOM 209 CB LYS A 64 -6.159 25.670 7.280 1.00 0.00 C ATOM 210 CG LYS A 64 -5.984 27.131 6.897 1.00 0.00 C ATOM 211 CD LYS A 64 -6.588 27.425 5.535 1.00 0.00 C ATOM 212 CE LYS A 64 -7.996 27.987 5.659 1.00 0.00 C ATOM 213 NZ LYS A 64 -9.028 26.914 5.597 1.00 0.00 N ATOM 0 H LYS A 64 -6.649 23.253 7.145 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.328 25.057 5.396 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.211 25.402 7.187 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.889 25.543 8.328 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.454 27.764 7.649 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.923 27.381 6.888 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.957 28.136 5.002 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.611 26.511 4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.090 28.527 6.601 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.172 28.707 4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.597 27.029 4.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.562 25.984 5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.646 26.978 6.431 1.00 0.00 H new ATOM 227 N GLU A 65 -3.587 23.788 7.850 1.00 0.00 N ATOM 228 CA GLU A 65 -2.244 23.671 8.407 1.00 0.00 C ATOM 229 C GLU A 65 -1.685 22.269 8.183 1.00 0.00 C ATOM 230 O GLU A 65 -1.505 21.502 9.130 1.00 0.00 O ATOM 231 CB GLU A 65 -2.259 23.997 9.902 1.00 0.00 C ATOM 232 CG GLU A 65 -2.863 25.355 10.223 1.00 0.00 C ATOM 233 CD GLU A 65 -3.326 25.460 11.662 1.00 0.00 C ATOM 234 OE1 GLU A 65 -4.495 25.109 11.937 1.00 0.00 O ATOM 235 OE2 GLU A 65 -2.524 25.892 12.516 1.00 0.00 O ATOM 0 H GLU A 65 -4.260 23.122 8.228 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.600 24.386 7.895 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.821 23.225 10.428 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.238 23.963 10.283 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.126 26.133 10.025 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.707 25.539 9.559 1.00 0.00 H new ATOM 242 N ALA A 66 -1.413 21.940 6.924 1.00 0.00 N ATOM 243 CA ALA A 66 -0.876 20.631 6.576 1.00 0.00 C ATOM 244 C ALA A 66 0.640 20.686 6.414 1.00 0.00 C ATOM 245 O ALA A 66 1.263 21.721 6.649 1.00 0.00 O ATOM 246 CB ALA A 66 -1.526 20.117 5.300 1.00 0.00 C ATOM 0 H ALA A 66 -1.556 22.562 6.129 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.104 19.943 7.390 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.116 19.138 5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.602 20.032 5.449 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.326 20.812 4.484 1.00 0.00 H new ATOM 252 N LYS A 67 1.228 19.564 6.012 1.00 0.00 N ATOM 253 CA LYS A 67 2.671 19.485 5.818 1.00 0.00 C ATOM 254 C LYS A 67 3.016 19.359 4.337 1.00 0.00 C ATOM 255 O LYS A 67 2.131 19.337 3.482 1.00 0.00 O ATOM 256 CB LYS A 67 3.246 18.296 6.592 1.00 0.00 C ATOM 257 CG LYS A 67 4.562 18.604 7.289 1.00 0.00 C ATOM 258 CD LYS A 67 5.548 17.454 7.157 1.00 0.00 C ATOM 259 CE LYS A 67 6.763 17.658 8.047 1.00 0.00 C ATOM 260 NZ LYS A 67 7.564 16.411 8.187 1.00 0.00 N ATOM 0 H LYS A 67 0.728 18.697 5.814 1.00 0.00 H new ATOM 0 HA LYS A 67 3.115 20.406 6.198 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.518 17.970 7.335 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.394 17.463 5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.997 19.508 6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.377 18.806 8.344 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.055 16.518 7.421 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.867 17.364 6.119 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.389 18.447 7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.439 17.994 9.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.383 16.592 8.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.974 15.665 8.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.895 16.104 7.250 1.00 0.00 H new ATOM 274 N LEU A 68 4.309 19.277 4.044 1.00 0.00 N ATOM 275 CA LEU A 68 4.774 19.156 2.666 1.00 0.00 C ATOM 276 C LEU A 68 4.468 17.769 2.100 1.00 0.00 C ATOM 277 O LEU A 68 4.448 17.579 0.884 1.00 0.00 O ATOM 278 CB LEU A 68 6.277 19.431 2.588 1.00 0.00 C ATOM 279 CG LEU A 68 6.667 20.909 2.628 1.00 0.00 C ATOM 280 CD1 LEU A 68 8.162 21.060 2.862 1.00 0.00 C ATOM 281 CD2 LEU A 68 6.253 21.603 1.340 1.00 0.00 C ATOM 0 H LEU A 68 5.054 19.292 4.741 1.00 0.00 H new ATOM 0 HA LEU A 68 4.242 19.895 2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.768 18.919 3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.664 18.994 1.668 1.00 0.00 H new ATOM 0 HG LEU A 68 6.142 21.383 3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.421 22.118 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.430 20.598 3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.708 20.572 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.538 22.654 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.751 21.128 0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.173 21.525 1.216 1.00 0.00 H new ATOM 293 N TYR A 69 4.235 16.805 2.986 1.00 0.00 N ATOM 294 CA TYR A 69 3.935 15.442 2.566 1.00 0.00 C ATOM 295 C TYR A 69 2.474 15.309 2.145 1.00 0.00 C ATOM 296 O TYR A 69 2.174 14.867 1.036 1.00 0.00 O ATOM 297 CB TYR A 69 4.242 14.458 3.697 1.00 0.00 C ATOM 298 CG TYR A 69 4.048 13.009 3.310 1.00 0.00 C ATOM 299 CD1 TYR A 69 4.990 12.346 2.535 1.00 0.00 C ATOM 300 CD2 TYR A 69 2.923 12.306 3.721 1.00 0.00 C ATOM 301 CE1 TYR A 69 4.817 11.021 2.179 1.00 0.00 C ATOM 302 CE2 TYR A 69 2.742 10.981 3.369 1.00 0.00 C ATOM 303 CZ TYR A 69 3.692 10.344 2.600 1.00 0.00 C ATOM 304 OH TYR A 69 3.516 9.026 2.247 1.00 0.00 O ATOM 0 H TYR A 69 4.248 16.943 3.997 1.00 0.00 H new ATOM 0 HA TYR A 69 4.564 15.208 1.707 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.272 14.603 4.024 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.602 14.686 4.549 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.872 12.874 2.205 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.178 12.802 4.325 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.559 10.519 1.575 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.861 10.448 3.695 1.00 0.00 H new ATOM 0 HH TYR A 69 2.674 8.696 2.624 1.00 0.00 H new ATOM 314 N HIS A 70 1.568 15.696 3.039 1.00 0.00 N ATOM 315 CA HIS A 70 0.139 15.619 2.760 1.00 0.00 C ATOM 316 C HIS A 70 -0.243 16.542 1.605 1.00 0.00 C ATOM 317 O HIS A 70 -1.212 16.288 0.890 1.00 0.00 O ATOM 318 CB HIS A 70 -0.667 15.985 4.008 1.00 0.00 C ATOM 319 CG HIS A 70 -0.850 14.841 4.955 1.00 0.00 C ATOM 320 ND1 HIS A 70 -0.610 14.939 6.310 1.00 0.00 N ATOM 321 CD2 HIS A 70 -1.255 13.567 4.739 1.00 0.00 C ATOM 322 CE1 HIS A 70 -0.859 13.777 6.884 1.00 0.00 C ATOM 323 NE2 HIS A 70 -1.253 12.927 5.954 1.00 0.00 N ATOM 0 H HIS A 70 1.799 16.065 3.961 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.093 14.593 2.473 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.166 16.801 4.529 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.646 16.355 3.703 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -0.290 15.779 6.793 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.529 13.135 3.788 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.758 13.558 7.937 1.00 0.00 H new ATOM 331 N ARG A 71 0.523 17.614 1.429 1.00 0.00 N ATOM 332 CA ARG A 71 0.262 18.574 0.362 1.00 0.00 C ATOM 333 C ARG A 71 0.951 18.163 -0.940 1.00 0.00 C ATOM 334 O ARG A 71 0.945 18.914 -1.915 1.00 0.00 O ATOM 335 CB ARG A 71 0.731 19.968 0.779 1.00 0.00 C ATOM 336 CG ARG A 71 -0.025 20.535 1.969 1.00 0.00 C ATOM 337 CD ARG A 71 0.665 21.765 2.533 1.00 0.00 C ATOM 338 NE ARG A 71 0.317 22.977 1.796 1.00 0.00 N ATOM 339 CZ ARG A 71 0.515 24.209 2.257 1.00 0.00 C ATOM 340 NH1 ARG A 71 1.060 24.397 3.452 1.00 0.00 N ATOM 341 NH2 ARG A 71 0.170 25.257 1.520 1.00 0.00 N ATOM 0 H ARG A 71 1.329 17.840 2.011 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.814 18.591 0.186 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.793 19.928 1.020 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.622 20.647 -0.067 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.040 20.793 1.667 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.107 19.774 2.745 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.389 21.886 3.580 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.745 21.620 2.503 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.103 22.872 0.872 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.329 23.595 4.022 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.210 25.344 3.801 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.247 25.118 0.600 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.322 26.202 1.874 1.00 0.00 H new ATOM 355 N ARG A 72 1.542 16.970 -0.953 1.00 0.00 N ATOM 356 CA ARG A 72 2.230 16.474 -2.139 1.00 0.00 C ATOM 357 C ARG A 72 1.424 15.370 -2.814 1.00 0.00 C ATOM 358 O ARG A 72 1.460 15.221 -4.036 1.00 0.00 O ATOM 359 CB ARG A 72 3.620 15.953 -1.768 1.00 0.00 C ATOM 360 CG ARG A 72 4.508 15.682 -2.971 1.00 0.00 C ATOM 361 CD ARG A 72 5.983 15.751 -2.605 1.00 0.00 C ATOM 362 NE ARG A 72 6.713 16.693 -3.450 1.00 0.00 N ATOM 363 CZ ARG A 72 7.100 16.426 -4.696 1.00 0.00 C ATOM 364 NH1 ARG A 72 6.830 15.249 -5.244 1.00 0.00 N ATOM 365 NH2 ARG A 72 7.757 17.341 -5.395 1.00 0.00 N ATOM 0 H ARG A 72 1.557 16.332 -0.157 1.00 0.00 H new ATOM 0 HA ARG A 72 2.335 17.302 -2.840 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.111 16.680 -1.121 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.513 15.034 -1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 72 4.279 14.697 -3.378 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.292 16.409 -3.754 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.084 16.047 -1.561 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.427 14.760 -2.700 1.00 0.00 H new ATOM 0 HE ARG A 72 6.940 17.609 -3.063 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.323 14.542 -4.711 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.129 15.050 -6.199 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.966 18.248 -4.978 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.054 17.138 -6.349 1.00 0.00 H new ATOM 379 N HIS A 73 0.698 14.598 -2.014 1.00 0.00 N ATOM 380 CA HIS A 73 -0.116 13.507 -2.536 1.00 0.00 C ATOM 381 C HIS A 73 -1.582 13.919 -2.671 1.00 0.00 C ATOM 382 O HIS A 73 -2.447 13.084 -2.936 1.00 0.00 O ATOM 383 CB HIS A 73 -0.003 12.281 -1.630 1.00 0.00 C ATOM 384 CG HIS A 73 1.398 11.777 -1.478 1.00 0.00 C ATOM 385 ND1 HIS A 73 2.199 11.443 -2.550 1.00 0.00 N ATOM 386 CD2 HIS A 73 2.144 11.552 -0.369 1.00 0.00 C ATOM 387 CE1 HIS A 73 3.375 11.032 -2.108 1.00 0.00 C ATOM 388 NE2 HIS A 73 3.367 11.091 -0.788 1.00 0.00 N ATOM 0 H HIS A 73 0.656 14.707 -1.001 1.00 0.00 H new ATOM 0 HA HIS A 73 0.260 13.259 -3.529 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.400 12.529 -0.646 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.626 11.483 -2.033 1.00 0.00 H new ATOM 0 HD2 HIS A 73 1.834 11.707 0.654 1.00 0.00 H new ATOM 0 HE1 HIS A 73 4.201 10.704 -2.721 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.144 10.835 -0.179 1.00 0.00 H new ATOM 396 N LYS A 74 -1.859 15.209 -2.487 1.00 0.00 N ATOM 397 CA LYS A 74 -3.222 15.722 -2.591 1.00 0.00 C ATOM 398 C LYS A 74 -4.161 14.973 -1.648 1.00 0.00 C ATOM 399 O LYS A 74 -5.329 14.750 -1.966 1.00 0.00 O ATOM 400 CB LYS A 74 -3.720 15.608 -4.034 1.00 0.00 C ATOM 401 CG LYS A 74 -3.841 16.948 -4.742 1.00 0.00 C ATOM 402 CD LYS A 74 -2.632 17.226 -5.620 1.00 0.00 C ATOM 403 CE LYS A 74 -2.922 16.922 -7.081 1.00 0.00 C ATOM 404 NZ LYS A 74 -1.740 17.184 -7.948 1.00 0.00 N ATOM 0 H LYS A 74 -1.158 15.916 -2.266 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.214 16.772 -2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.038 14.970 -4.596 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.693 15.116 -4.036 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.745 16.958 -5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.946 17.743 -4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.338 18.271 -5.516 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.789 16.623 -5.282 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.222 15.879 -7.182 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.762 17.530 -7.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.979 16.964 -8.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.468 18.185 -7.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.946 16.586 -7.643 1.00 0.00 H new ATOM 418 N VAL A 75 -3.643 14.589 -0.486 1.00 0.00 N ATOM 419 CA VAL A 75 -4.435 13.868 0.502 1.00 0.00 C ATOM 420 C VAL A 75 -4.152 14.378 1.912 1.00 0.00 C ATOM 421 O VAL A 75 -3.042 14.819 2.211 1.00 0.00 O ATOM 422 CB VAL A 75 -4.159 12.352 0.446 1.00 0.00 C ATOM 423 CG1 VAL A 75 -2.698 12.061 0.759 1.00 0.00 C ATOM 424 CG2 VAL A 75 -5.076 11.602 1.400 1.00 0.00 C ATOM 0 H VAL A 75 -2.678 14.765 -0.206 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.483 14.046 0.260 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.366 12.004 -0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.523 10.986 0.714 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.063 12.562 0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.460 12.426 1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.864 10.534 1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.907 11.953 2.418 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.115 11.781 1.122 1.00 0.00 H new ATOM 434 N CYS A 76 -5.162 14.315 2.774 1.00 0.00 N ATOM 435 CA CYS A 76 -5.018 14.772 4.152 1.00 0.00 C ATOM 436 C CYS A 76 -4.682 13.606 5.078 1.00 0.00 C ATOM 437 O CYS A 76 -4.665 12.451 4.655 1.00 0.00 O ATOM 438 CB CYS A 76 -6.301 15.469 4.618 1.00 0.00 C ATOM 439 SG CYS A 76 -7.697 14.356 4.901 1.00 0.00 S ATOM 0 H CYS A 76 -6.087 13.953 2.543 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.196 15.487 4.191 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -6.091 16.010 5.541 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.589 16.210 3.872 1.00 0.00 H new ATOM 444 N GLU A 77 -4.410 13.919 6.340 1.00 0.00 N ATOM 445 CA GLU A 77 -4.072 12.896 7.324 1.00 0.00 C ATOM 446 C GLU A 77 -5.280 12.025 7.653 1.00 0.00 C ATOM 447 O GLU A 77 -5.134 10.852 8.001 1.00 0.00 O ATOM 448 CB GLU A 77 -3.537 13.546 8.602 1.00 0.00 C ATOM 449 CG GLU A 77 -2.846 12.569 9.539 1.00 0.00 C ATOM 450 CD GLU A 77 -1.910 13.260 10.512 1.00 0.00 C ATOM 451 OE1 GLU A 77 -1.138 14.138 10.072 1.00 0.00 O ATOM 452 OE2 GLU A 77 -1.948 12.921 11.715 1.00 0.00 O ATOM 0 H GLU A 77 -4.417 14.871 6.706 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.299 12.260 6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.835 14.335 8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.363 14.021 9.131 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.599 12.012 10.097 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.283 11.844 8.952 1.00 0.00 H new ATOM 459 N VAL A 78 -6.472 12.602 7.545 1.00 0.00 N ATOM 460 CA VAL A 78 -7.703 11.875 7.834 1.00 0.00 C ATOM 461 C VAL A 78 -7.951 10.777 6.805 1.00 0.00 C ATOM 462 O VAL A 78 -8.580 9.762 7.107 1.00 0.00 O ATOM 463 CB VAL A 78 -8.920 12.819 7.866 1.00 0.00 C ATOM 464 CG1 VAL A 78 -10.170 12.068 8.299 1.00 0.00 C ATOM 465 CG2 VAL A 78 -8.656 14.003 8.785 1.00 0.00 C ATOM 0 H VAL A 78 -6.612 13.571 7.259 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.578 11.423 8.818 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.085 13.200 6.858 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.018 12.752 8.315 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.370 11.259 7.597 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.019 11.654 9.296 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.527 14.658 8.794 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.462 13.643 9.795 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.789 14.557 8.425 1.00 0.00 H new ATOM 475 N HIS A 79 -7.459 10.984 5.587 1.00 0.00 N ATOM 476 CA HIS A 79 -7.633 10.008 4.518 1.00 0.00 C ATOM 477 C HIS A 79 -6.332 9.260 4.240 1.00 0.00 C ATOM 478 O HIS A 79 -6.348 8.099 3.834 1.00 0.00 O ATOM 479 CB HIS A 79 -8.120 10.700 3.243 1.00 0.00 C ATOM 480 CG HIS A 79 -9.593 10.972 3.236 1.00 0.00 C ATOM 481 ND1 HIS A 79 -10.125 12.239 3.141 1.00 0.00 N ATOM 482 CD2 HIS A 79 -10.650 10.128 3.314 1.00 0.00 C ATOM 483 CE1 HIS A 79 -11.444 12.167 3.161 1.00 0.00 C ATOM 484 NE2 HIS A 79 -11.788 10.897 3.264 1.00 0.00 N ATOM 0 H HIS A 79 -6.937 11.818 5.317 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.382 9.285 4.841 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -7.584 11.642 3.123 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.869 10.079 2.383 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -10.606 9.052 3.399 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -12.124 13.004 3.103 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -12.744 10.543 3.301 1.00 0.00 H new ATOM 491 N ALA A 80 -5.209 9.933 4.463 1.00 0.00 N ATOM 492 CA ALA A 80 -3.901 9.332 4.238 1.00 0.00 C ATOM 493 C ALA A 80 -3.656 8.176 5.200 1.00 0.00 C ATOM 494 O ALA A 80 -3.032 7.177 4.842 1.00 0.00 O ATOM 495 CB ALA A 80 -2.806 10.380 4.378 1.00 0.00 C ATOM 0 H ALA A 80 -5.179 10.895 4.800 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.881 8.936 3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.834 9.916 4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.964 11.171 3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.834 10.804 5.382 1.00 0.00 H new ATOM 501 N LYS A 81 -4.149 8.318 6.427 1.00 0.00 N ATOM 502 CA LYS A 81 -3.983 7.284 7.443 1.00 0.00 C ATOM 503 C LYS A 81 -5.321 6.634 7.781 1.00 0.00 C ATOM 504 O LYS A 81 -5.545 6.203 8.912 1.00 0.00 O ATOM 505 CB LYS A 81 -3.359 7.880 8.707 1.00 0.00 C ATOM 506 CG LYS A 81 -2.446 6.914 9.447 1.00 0.00 C ATOM 507 CD LYS A 81 -1.677 7.616 10.555 1.00 0.00 C ATOM 508 CE LYS A 81 -1.413 6.685 11.729 1.00 0.00 C ATOM 509 NZ LYS A 81 0.031 6.353 11.862 1.00 0.00 N ATOM 0 H LYS A 81 -4.666 9.139 6.741 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.318 6.518 7.043 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -2.791 8.770 8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -4.155 8.202 9.379 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.039 6.103 9.871 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.745 6.463 8.745 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.730 7.986 10.163 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.241 8.483 10.897 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -1.764 7.153 12.649 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.986 5.767 11.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.168 5.717 12.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.361 5.883 10.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.576 7.226 12.011 1.00 0.00 H new ATOM 523 N ALA A 82 -6.207 6.566 6.793 1.00 0.00 N ATOM 524 CA ALA A 82 -7.522 5.968 6.984 1.00 0.00 C ATOM 525 C ALA A 82 -7.496 4.474 6.678 1.00 0.00 C ATOM 526 O ALA A 82 -6.507 3.954 6.162 1.00 0.00 O ATOM 527 CB ALA A 82 -8.552 6.668 6.112 1.00 0.00 C ATOM 0 H ALA A 82 -6.037 6.918 5.851 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.802 6.094 8.030 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.529 6.211 6.265 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.599 7.723 6.380 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.267 6.573 5.064 1.00 0.00 H new ATOM 533 N SER A 83 -8.589 3.790 7.000 1.00 0.00 N ATOM 534 CA SER A 83 -8.692 2.355 6.759 1.00 0.00 C ATOM 535 C SER A 83 -9.673 2.062 5.629 1.00 0.00 C ATOM 536 O SER A 83 -9.511 1.092 4.888 1.00 0.00 O ATOM 537 CB SER A 83 -9.134 1.634 8.033 1.00 0.00 C ATOM 538 OG SER A 83 -9.958 2.465 8.831 1.00 0.00 O ATOM 0 H SER A 83 -9.416 4.206 7.428 1.00 0.00 H new ATOM 0 HA SER A 83 -7.708 1.990 6.465 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.675 0.725 7.771 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.257 1.330 8.605 1.00 0.00 H new ATOM 0 HG SER A 83 -10.228 1.980 9.638 1.00 0.00 H new ATOM 544 N SER A 84 -10.691 2.907 5.500 1.00 0.00 N ATOM 545 CA SER A 84 -11.698 2.739 4.461 1.00 0.00 C ATOM 546 C SER A 84 -12.289 4.085 4.052 1.00 0.00 C ATOM 547 O SER A 84 -12.599 4.921 4.901 1.00 0.00 O ATOM 548 CB SER A 84 -12.810 1.807 4.945 1.00 0.00 C ATOM 549 OG SER A 84 -13.401 2.293 6.138 1.00 0.00 O ATOM 0 H SER A 84 -10.839 3.716 6.104 1.00 0.00 H new ATOM 0 HA SER A 84 -11.215 2.295 3.591 1.00 0.00 H new ATOM 0 HB2 SER A 84 -13.572 1.712 4.171 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.404 0.810 5.117 1.00 0.00 H new ATOM 0 HG SER A 84 -14.110 1.680 6.425 1.00 0.00 H new ATOM 555 N VAL A 85 -12.440 4.288 2.748 1.00 0.00 N ATOM 556 CA VAL A 85 -12.995 5.532 2.226 1.00 0.00 C ATOM 557 C VAL A 85 -13.898 5.270 1.026 1.00 0.00 C ATOM 558 O VAL A 85 -13.777 4.242 0.359 1.00 0.00 O ATOM 559 CB VAL A 85 -11.884 6.516 1.809 1.00 0.00 C ATOM 560 CG1 VAL A 85 -12.454 7.909 1.598 1.00 0.00 C ATOM 561 CG2 VAL A 85 -10.770 6.541 2.847 1.00 0.00 C ATOM 0 H VAL A 85 -12.186 3.607 2.032 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.580 5.976 3.031 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.461 6.174 0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.654 8.589 1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.210 7.878 0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.907 8.261 2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -9.996 7.242 2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.176 6.855 3.809 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -10.340 5.544 2.943 1.00 0.00 H new ATOM 571 N PHE A 86 -14.802 6.206 0.757 1.00 0.00 N ATOM 572 CA PHE A 86 -15.725 6.077 -0.364 1.00 0.00 C ATOM 573 C PHE A 86 -15.248 6.895 -1.559 1.00 0.00 C ATOM 574 O PHE A 86 -14.986 8.092 -1.440 1.00 0.00 O ATOM 575 CB PHE A 86 -17.127 6.528 0.049 1.00 0.00 C ATOM 576 CG PHE A 86 -18.228 5.747 -0.609 1.00 0.00 C ATOM 577 CD1 PHE A 86 -18.255 4.363 -0.534 1.00 0.00 C ATOM 578 CD2 PHE A 86 -19.234 6.396 -1.305 1.00 0.00 C ATOM 579 CE1 PHE A 86 -19.266 3.643 -1.141 1.00 0.00 C ATOM 580 CE2 PHE A 86 -20.248 5.681 -1.914 1.00 0.00 C ATOM 581 CZ PHE A 86 -20.264 4.301 -1.831 1.00 0.00 C ATOM 0 H PHE A 86 -14.915 7.062 1.300 1.00 0.00 H new ATOM 0 HA PHE A 86 -15.759 5.027 -0.655 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -17.225 6.437 1.131 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -17.246 7.584 -0.194 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -17.477 3.842 0.005 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -19.226 7.474 -1.373 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -19.275 2.565 -1.076 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -21.027 6.199 -2.454 1.00 0.00 H new ATOM 0 HZ PHE A 86 -21.055 3.739 -2.305 1.00 0.00 H new ATOM 591 N LEU A 87 -15.133 6.242 -2.711 1.00 0.00 N ATOM 592 CA LEU A 87 -14.685 6.910 -3.927 1.00 0.00 C ATOM 593 C LEU A 87 -15.361 6.311 -5.157 1.00 0.00 C ATOM 594 O LEU A 87 -15.196 5.129 -5.454 1.00 0.00 O ATOM 595 CB LEU A 87 -13.165 6.804 -4.061 1.00 0.00 C ATOM 596 CG LEU A 87 -12.466 8.082 -4.531 1.00 0.00 C ATOM 597 CD1 LEU A 87 -11.823 8.803 -3.355 1.00 0.00 C ATOM 598 CD2 LEU A 87 -11.425 7.762 -5.595 1.00 0.00 C ATOM 0 H LEU A 87 -15.344 5.251 -2.828 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.963 7.962 -3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -12.750 6.515 -3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -12.932 6.002 -4.761 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.215 8.741 -4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.331 9.709 -3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.590 9.067 -2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.087 8.150 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.939 8.683 -5.917 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.679 7.083 -5.182 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.911 7.291 -6.449 1.00 0.00 H new ATOM 610 N SER A 88 -16.122 7.137 -5.868 1.00 0.00 N ATOM 611 CA SER A 88 -16.822 6.690 -7.068 1.00 0.00 C ATOM 612 C SER A 88 -17.786 5.553 -6.743 1.00 0.00 C ATOM 613 O SER A 88 -18.017 4.667 -7.566 1.00 0.00 O ATOM 614 CB SER A 88 -15.819 6.233 -8.129 1.00 0.00 C ATOM 615 OG SER A 88 -15.453 7.307 -8.980 1.00 0.00 O ATOM 0 H SER A 88 -16.270 8.119 -5.635 1.00 0.00 H new ATOM 0 HA SER A 88 -17.396 7.531 -7.458 1.00 0.00 H new ATOM 0 HB2 SER A 88 -14.930 5.830 -7.644 1.00 0.00 H new ATOM 0 HB3 SER A 88 -16.253 5.427 -8.721 1.00 0.00 H new ATOM 0 HG SER A 88 -14.810 6.990 -9.648 1.00 0.00 H new ATOM 621 N GLY A 89 -18.345 5.584 -5.538 1.00 0.00 N ATOM 622 CA GLY A 89 -19.277 4.551 -5.127 1.00 0.00 C ATOM 623 C GLY A 89 -18.596 3.218 -4.887 1.00 0.00 C ATOM 624 O GLY A 89 -19.168 2.163 -5.155 1.00 0.00 O ATOM 0 H GLY A 89 -18.169 6.306 -4.839 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -19.784 4.866 -4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -20.043 4.431 -5.893 1.00 0.00 H new ATOM 628 N LEU A 90 -17.369 3.268 -4.377 1.00 0.00 N ATOM 629 CA LEU A 90 -16.607 2.056 -4.099 1.00 0.00 C ATOM 630 C LEU A 90 -15.603 2.292 -2.974 1.00 0.00 C ATOM 631 O LEU A 90 -15.007 3.364 -2.877 1.00 0.00 O ATOM 632 CB LEU A 90 -15.880 1.586 -5.363 1.00 0.00 C ATOM 633 CG LEU A 90 -16.169 0.142 -5.777 1.00 0.00 C ATOM 634 CD1 LEU A 90 -16.113 -0.001 -7.290 1.00 0.00 C ATOM 635 CD2 LEU A 90 -15.186 -0.808 -5.113 1.00 0.00 C ATOM 0 H LEU A 90 -16.882 4.134 -4.148 1.00 0.00 H new ATOM 0 HA LEU A 90 -17.304 1.280 -3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -16.152 2.246 -6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -14.807 1.696 -5.208 1.00 0.00 H new ATOM 0 HG LEU A 90 -17.175 -0.117 -5.446 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -16.321 -1.035 -7.566 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -16.857 0.653 -7.745 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -15.121 0.276 -7.645 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -15.406 -1.831 -5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -14.171 -0.550 -5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -15.275 -0.726 -4.030 1.00 0.00 H new ATOM 647 N ASN A 91 -15.423 1.284 -2.128 1.00 0.00 N ATOM 648 CA ASN A 91 -14.492 1.383 -1.010 1.00 0.00 C ATOM 649 C ASN A 91 -13.058 1.153 -1.473 1.00 0.00 C ATOM 650 O ASN A 91 -12.786 0.244 -2.257 1.00 0.00 O ATOM 651 CB ASN A 91 -14.859 0.371 0.076 1.00 0.00 C ATOM 652 CG ASN A 91 -16.146 0.730 0.792 1.00 0.00 C ATOM 653 OD1 ASN A 91 -16.467 1.907 0.963 1.00 0.00 O ATOM 654 ND2 ASN A 91 -16.892 -0.283 1.215 1.00 0.00 N ATOM 0 H ASN A 91 -15.909 0.390 -2.195 1.00 0.00 H new ATOM 0 HA ASN A 91 -14.563 2.390 -0.598 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -14.960 -0.618 -0.372 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -14.048 0.311 0.802 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -17.769 -0.102 1.703 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -16.588 -1.243 1.052 1.00 0.00 H new ATOM 661 N GLN A 92 -12.144 1.983 -0.983 1.00 0.00 N ATOM 662 CA GLN A 92 -10.736 1.871 -1.347 1.00 0.00 C ATOM 663 C GLN A 92 -9.840 2.119 -0.138 1.00 0.00 C ATOM 664 O GLN A 92 -10.324 2.335 0.973 1.00 0.00 O ATOM 665 CB GLN A 92 -10.393 2.862 -2.461 1.00 0.00 C ATOM 666 CG GLN A 92 -11.203 2.656 -3.731 1.00 0.00 C ATOM 667 CD GLN A 92 -11.187 3.875 -4.634 1.00 0.00 C ATOM 668 OE1 GLN A 92 -10.608 4.906 -4.294 1.00 0.00 O ATOM 669 NE2 GLN A 92 -11.828 3.762 -5.792 1.00 0.00 N ATOM 0 H GLN A 92 -12.353 2.741 -0.333 1.00 0.00 H new ATOM 0 HA GLN A 92 -10.560 0.857 -1.706 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.557 3.876 -2.096 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -9.333 2.776 -2.699 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -10.807 1.799 -4.276 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.233 2.417 -3.466 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -12.295 2.888 -6.033 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -11.853 4.549 -6.440 1.00 0.00 H new ATOM 678 N ARG A 93 -8.531 2.088 -0.363 1.00 0.00 N ATOM 679 CA ARG A 93 -7.564 2.313 0.707 1.00 0.00 C ATOM 680 C ARG A 93 -6.364 3.102 0.197 1.00 0.00 C ATOM 681 O ARG A 93 -6.019 3.032 -0.983 1.00 0.00 O ATOM 682 CB ARG A 93 -7.100 0.978 1.292 1.00 0.00 C ATOM 683 CG ARG A 93 -8.134 0.313 2.189 1.00 0.00 C ATOM 684 CD ARG A 93 -7.506 -0.751 3.077 1.00 0.00 C ATOM 685 NE ARG A 93 -6.294 -0.272 3.737 1.00 0.00 N ATOM 686 CZ ARG A 93 -5.344 -1.071 4.217 1.00 0.00 C ATOM 687 NH1 ARG A 93 -5.462 -2.389 4.120 1.00 0.00 N ATOM 688 NH2 ARG A 93 -4.272 -0.550 4.797 1.00 0.00 N ATOM 0 H ARG A 93 -8.114 1.909 -1.277 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.053 2.894 1.489 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -6.850 0.300 0.476 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.186 1.139 1.863 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.616 1.068 2.810 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.913 -0.139 1.574 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.228 -1.066 3.830 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.268 -1.629 2.477 1.00 0.00 H new ATOM 0 HE ARG A 93 -6.168 0.735 3.836 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -6.285 -2.796 3.675 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -4.730 -2.995 4.490 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -4.176 0.462 4.875 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -3.543 -1.162 5.165 1.00 0.00 H new ATOM 702 N PHE A 94 -5.731 3.852 1.092 1.00 0.00 N ATOM 703 CA PHE A 94 -4.568 4.655 0.730 1.00 0.00 C ATOM 704 C PHE A 94 -3.306 3.801 0.691 1.00 0.00 C ATOM 705 O PHE A 94 -2.672 3.566 1.720 1.00 0.00 O ATOM 706 CB PHE A 94 -4.390 5.805 1.722 1.00 0.00 C ATOM 707 CG PHE A 94 -3.260 6.732 1.368 1.00 0.00 C ATOM 708 CD1 PHE A 94 -3.329 7.529 0.236 1.00 0.00 C ATOM 709 CD2 PHE A 94 -2.132 6.805 2.168 1.00 0.00 C ATOM 710 CE1 PHE A 94 -2.292 8.381 -0.091 1.00 0.00 C ATOM 711 CE2 PHE A 94 -1.091 7.656 1.846 1.00 0.00 C ATOM 712 CZ PHE A 94 -1.172 8.446 0.714 1.00 0.00 C ATOM 0 H PHE A 94 -6.003 3.921 2.073 1.00 0.00 H new ATOM 0 HA PHE A 94 -4.736 5.065 -0.266 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.316 6.377 1.773 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.214 5.393 2.716 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.203 7.483 -0.397 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.065 6.190 3.053 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.357 8.996 -0.976 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.216 7.704 2.477 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.361 9.112 0.460 1.00 0.00 H new ATOM 722 N CYS A 95 -2.946 3.339 -0.502 1.00 0.00 N ATOM 723 CA CYS A 95 -1.757 2.511 -0.674 1.00 0.00 C ATOM 724 C CYS A 95 -0.502 3.375 -0.758 1.00 0.00 C ATOM 725 O CYS A 95 -0.223 3.982 -1.792 1.00 0.00 O ATOM 726 CB CYS A 95 -1.889 1.646 -1.931 1.00 0.00 C ATOM 727 SG CYS A 95 -0.400 0.703 -2.341 1.00 0.00 S ATOM 0 H CYS A 95 -3.460 3.524 -1.364 1.00 0.00 H new ATOM 0 HA CYS A 95 -1.667 1.859 0.195 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -2.719 0.953 -1.796 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -2.143 2.287 -2.775 1.00 0.00 H new ATOM 732 N GLN A 96 0.253 3.421 0.333 1.00 0.00 N ATOM 733 CA GLN A 96 1.481 4.206 0.381 1.00 0.00 C ATOM 734 C GLN A 96 2.525 3.643 -0.578 1.00 0.00 C ATOM 735 O GLN A 96 3.371 4.376 -1.090 1.00 0.00 O ATOM 736 CB GLN A 96 2.041 4.228 1.804 1.00 0.00 C ATOM 737 CG GLN A 96 2.091 2.859 2.461 1.00 0.00 C ATOM 738 CD GLN A 96 3.227 2.731 3.458 1.00 0.00 C ATOM 739 OE1 GLN A 96 3.992 3.673 3.668 1.00 0.00 O ATOM 740 NE2 GLN A 96 3.342 1.563 4.078 1.00 0.00 N ATOM 0 H GLN A 96 0.037 2.924 1.197 1.00 0.00 H new ATOM 0 HA GLN A 96 1.243 5.225 0.074 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.047 4.648 1.783 1.00 0.00 H new ATOM 0 HB3 GLN A 96 1.430 4.893 2.415 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.145 2.669 2.968 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.200 2.095 1.692 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.685 0.810 3.873 1.00 0.00 H new ATOM 0 HE22 GLN A 96 4.087 1.419 4.760 1.00 0.00 H new ATOM 749 N GLN A 97 2.458 2.336 -0.817 1.00 0.00 N ATOM 750 CA GLN A 97 3.397 1.671 -1.716 1.00 0.00 C ATOM 751 C GLN A 97 3.406 2.335 -3.090 1.00 0.00 C ATOM 752 O GLN A 97 4.460 2.502 -3.703 1.00 0.00 O ATOM 753 CB GLN A 97 3.037 0.189 -1.851 1.00 0.00 C ATOM 754 CG GLN A 97 4.211 -0.745 -1.609 1.00 0.00 C ATOM 755 CD GLN A 97 4.878 -1.188 -2.896 1.00 0.00 C ATOM 756 OE1 GLN A 97 4.519 -2.377 -3.369 1.00 0.00 O flip ATOM 757 NE2 GLN A 97 5.706 -0.471 -3.459 1.00 0.00 N flip ATOM 0 H GLN A 97 1.763 1.716 -0.401 1.00 0.00 H new ATOM 0 HA GLN A 97 4.396 1.760 -1.289 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.242 -0.049 -1.145 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.640 0.009 -2.850 1.00 0.00 H new ATOM 0 HG2 GLN A 97 4.945 -0.244 -0.977 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.866 -1.622 -1.062 1.00 0.00 H new ATOM 0 HE21 GLN A 97 5.952 0.435 -3.060 1.00 0.00 H new ATOM 0 HE22 GLN A 97 6.146 -0.783 -4.325 1.00 0.00 H new ATOM 766 N CYS A 98 2.224 2.714 -3.567 1.00 0.00 N ATOM 767 CA CYS A 98 2.097 3.361 -4.869 1.00 0.00 C ATOM 768 C CYS A 98 1.592 4.797 -4.730 1.00 0.00 C ATOM 769 O CYS A 98 1.243 5.439 -5.719 1.00 0.00 O ATOM 770 CB CYS A 98 1.151 2.561 -5.766 1.00 0.00 C ATOM 771 SG CYS A 98 1.513 0.792 -5.832 1.00 0.00 S ATOM 0 H CYS A 98 1.341 2.585 -3.072 1.00 0.00 H new ATOM 0 HA CYS A 98 3.087 3.392 -5.324 1.00 0.00 H new ATOM 0 HB2 CYS A 98 0.129 2.699 -5.412 1.00 0.00 H new ATOM 0 HB3 CYS A 98 1.196 2.968 -6.776 1.00 0.00 H new ATOM 776 N SER A 99 1.555 5.299 -3.498 1.00 0.00 N ATOM 777 CA SER A 99 1.096 6.661 -3.235 1.00 0.00 C ATOM 778 C SER A 99 -0.278 6.929 -3.853 1.00 0.00 C ATOM 779 O SER A 99 -0.683 8.083 -3.999 1.00 0.00 O ATOM 780 CB SER A 99 2.109 7.672 -3.772 1.00 0.00 C ATOM 781 OG SER A 99 1.881 8.961 -3.228 1.00 0.00 O ATOM 0 H SER A 99 1.838 4.783 -2.665 1.00 0.00 H new ATOM 0 HA SER A 99 1.005 6.772 -2.154 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.119 7.344 -3.527 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.043 7.716 -4.859 1.00 0.00 H new ATOM 0 HG SER A 99 2.212 9.642 -3.850 1.00 0.00 H new ATOM 787 N ARG A 100 -0.996 5.868 -4.208 1.00 0.00 N ATOM 788 CA ARG A 100 -2.322 6.010 -4.802 1.00 0.00 C ATOM 789 C ARG A 100 -3.336 5.132 -4.077 1.00 0.00 C ATOM 790 O ARG A 100 -2.976 4.344 -3.202 1.00 0.00 O ATOM 791 CB ARG A 100 -2.286 5.653 -6.289 1.00 0.00 C ATOM 792 CG ARG A 100 -1.655 4.302 -6.578 1.00 0.00 C ATOM 793 CD ARG A 100 -1.856 3.893 -8.029 1.00 0.00 C ATOM 794 NE ARG A 100 -3.226 3.461 -8.291 1.00 0.00 N ATOM 795 CZ ARG A 100 -3.750 3.356 -9.510 1.00 0.00 C ATOM 796 NH1 ARG A 100 -3.023 3.654 -10.581 1.00 0.00 N ATOM 797 NH2 ARG A 100 -5.006 2.954 -9.660 1.00 0.00 N ATOM 0 H ARG A 100 -0.684 4.903 -4.095 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.628 7.051 -4.699 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.303 5.660 -6.680 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -1.733 6.424 -6.825 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -0.589 4.342 -6.354 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.091 3.548 -5.922 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -1.610 4.732 -8.680 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.168 3.085 -8.277 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.816 3.226 -7.493 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -2.058 3.965 -10.472 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.430 3.572 -11.513 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -5.570 2.726 -8.841 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -5.408 2.874 -10.594 1.00 0.00 H new ATOM 811 N PHE A 101 -4.605 5.275 -4.444 1.00 0.00 N ATOM 812 CA PHE A 101 -5.671 4.496 -3.823 1.00 0.00 C ATOM 813 C PHE A 101 -5.824 3.136 -4.500 1.00 0.00 C ATOM 814 O PHE A 101 -5.440 2.962 -5.657 1.00 0.00 O ATOM 815 CB PHE A 101 -6.994 5.262 -3.887 1.00 0.00 C ATOM 816 CG PHE A 101 -7.202 6.197 -2.731 1.00 0.00 C ATOM 817 CD1 PHE A 101 -7.685 5.727 -1.521 1.00 0.00 C ATOM 818 CD2 PHE A 101 -6.914 7.548 -2.854 1.00 0.00 C ATOM 819 CE1 PHE A 101 -7.875 6.585 -0.455 1.00 0.00 C ATOM 820 CE2 PHE A 101 -7.103 8.409 -1.792 1.00 0.00 C ATOM 821 CZ PHE A 101 -7.586 7.928 -0.590 1.00 0.00 C ATOM 0 H PHE A 101 -4.920 5.922 -5.167 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.403 4.331 -2.779 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -7.030 5.832 -4.816 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -7.817 4.548 -3.919 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -7.916 4.678 -1.410 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -6.538 7.931 -3.791 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -8.250 6.205 0.484 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.873 9.459 -1.900 1.00 0.00 H new ATOM 0 HZ PHE A 101 -7.737 8.601 0.241 1.00 0.00 H new ATOM 831 N HIS A 102 -6.384 2.179 -3.770 1.00 0.00 N ATOM 832 CA HIS A 102 -6.591 0.834 -4.294 1.00 0.00 C ATOM 833 C HIS A 102 -7.898 0.244 -3.774 1.00 0.00 C ATOM 834 O HIS A 102 -8.430 0.693 -2.760 1.00 0.00 O ATOM 835 CB HIS A 102 -5.420 -0.072 -3.910 1.00 0.00 C ATOM 836 CG HIS A 102 -4.203 0.122 -4.763 1.00 0.00 C ATOM 837 ND1 HIS A 102 -4.260 0.591 -6.059 1.00 0.00 N ATOM 838 CD2 HIS A 102 -2.891 -0.088 -4.497 1.00 0.00 C ATOM 839 CE1 HIS A 102 -3.035 0.661 -6.553 1.00 0.00 C ATOM 840 NE2 HIS A 102 -2.189 0.257 -5.626 1.00 0.00 N ATOM 0 H HIS A 102 -6.704 2.310 -2.810 1.00 0.00 H new ATOM 0 HA HIS A 102 -6.649 0.899 -5.381 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -5.156 0.112 -2.869 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -5.739 -1.112 -3.979 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -5.113 0.844 -6.558 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -2.475 -0.457 -3.571 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -2.772 0.993 -7.547 1.00 0.00 H new ATOM 848 N ASP A 103 -8.410 -0.762 -4.476 1.00 0.00 N ATOM 849 CA ASP A 103 -9.654 -1.412 -4.083 1.00 0.00 C ATOM 850 C ASP A 103 -9.506 -2.100 -2.729 1.00 0.00 C ATOM 851 O ASP A 103 -8.421 -2.558 -2.370 1.00 0.00 O ATOM 852 CB ASP A 103 -10.078 -2.431 -5.142 1.00 0.00 C ATOM 853 CG ASP A 103 -11.561 -2.741 -5.086 1.00 0.00 C ATOM 854 OD1 ASP A 103 -12.361 -1.789 -4.970 1.00 0.00 O ATOM 855 OD2 ASP A 103 -11.922 -3.933 -5.158 1.00 0.00 O ATOM 0 H ASP A 103 -7.982 -1.144 -5.319 1.00 0.00 H new ATOM 0 HA ASP A 103 -10.424 -0.645 -3.998 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.827 -2.048 -6.131 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -9.512 -3.352 -5.003 1.00 0.00 H new ATOM 860 N LEU A 104 -10.604 -2.166 -1.982 1.00 0.00 N ATOM 861 CA LEU A 104 -10.595 -2.799 -0.667 1.00 0.00 C ATOM 862 C LEU A 104 -10.217 -4.275 -0.772 1.00 0.00 C ATOM 863 O LEU A 104 -9.744 -4.872 0.195 1.00 0.00 O ATOM 864 CB LEU A 104 -11.965 -2.653 0.002 1.00 0.00 C ATOM 865 CG LEU A 104 -11.967 -1.844 1.302 1.00 0.00 C ATOM 866 CD1 LEU A 104 -13.344 -1.874 1.946 1.00 0.00 C ATOM 867 CD2 LEU A 104 -10.915 -2.374 2.263 1.00 0.00 C ATOM 0 H LEU A 104 -11.509 -1.790 -2.264 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.845 -2.297 -0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -12.649 -2.181 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.359 -3.648 0.210 1.00 0.00 H new ATOM 0 HG LEU A 104 -11.722 -0.809 1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.327 -1.294 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -14.075 -1.445 1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -13.618 -2.905 2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -10.932 -1.786 3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.128 -3.417 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.930 -2.299 1.802 1.00 0.00 H new ATOM 879 N GLN A 105 -10.427 -4.858 -1.949 1.00 0.00 N ATOM 880 CA GLN A 105 -10.106 -6.264 -2.174 1.00 0.00 C ATOM 881 C GLN A 105 -8.671 -6.434 -2.675 1.00 0.00 C ATOM 882 O GLN A 105 -8.306 -7.497 -3.176 1.00 0.00 O ATOM 883 CB GLN A 105 -11.085 -6.875 -3.177 1.00 0.00 C ATOM 884 CG GLN A 105 -12.320 -7.479 -2.531 1.00 0.00 C ATOM 885 CD GLN A 105 -13.552 -7.370 -3.410 1.00 0.00 C ATOM 886 OE1 GLN A 105 -14.599 -6.893 -2.974 1.00 0.00 O ATOM 887 NE2 GLN A 105 -13.429 -7.812 -4.656 1.00 0.00 N ATOM 0 H GLN A 105 -10.818 -4.379 -2.761 1.00 0.00 H new ATOM 0 HA GLN A 105 -10.196 -6.784 -1.220 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -11.395 -6.106 -3.884 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -10.571 -7.647 -3.750 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -12.131 -8.529 -2.306 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -12.510 -6.978 -1.582 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -12.541 -8.200 -4.974 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -14.223 -7.764 -5.295 1.00 0.00 H new ATOM 896 N GLU A 106 -7.863 -5.385 -2.539 1.00 0.00 N ATOM 897 CA GLU A 106 -6.474 -5.431 -2.979 1.00 0.00 C ATOM 898 C GLU A 106 -5.523 -5.460 -1.787 1.00 0.00 C ATOM 899 O GLU A 106 -4.383 -5.003 -1.879 1.00 0.00 O ATOM 900 CB GLU A 106 -6.158 -4.227 -3.868 1.00 0.00 C ATOM 901 CG GLU A 106 -6.852 -4.269 -5.221 1.00 0.00 C ATOM 902 CD GLU A 106 -5.922 -4.696 -6.340 1.00 0.00 C ATOM 903 OE1 GLU A 106 -5.003 -5.498 -6.074 1.00 0.00 O ATOM 904 OE2 GLU A 106 -6.114 -4.226 -7.481 1.00 0.00 O ATOM 0 H GLU A 106 -8.147 -4.496 -2.128 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.334 -6.346 -3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -6.450 -3.315 -3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -5.080 -4.174 -4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -7.695 -4.958 -5.171 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.259 -3.283 -5.448 1.00 0.00 H new ATOM 911 N PHE A 107 -5.998 -6.000 -0.669 1.00 0.00 N ATOM 912 CA PHE A 107 -5.189 -6.090 0.541 1.00 0.00 C ATOM 913 C PHE A 107 -5.546 -7.341 1.338 1.00 0.00 C ATOM 914 O PHE A 107 -5.962 -7.259 2.495 1.00 0.00 O ATOM 915 CB PHE A 107 -5.386 -4.842 1.406 1.00 0.00 C ATOM 916 CG PHE A 107 -5.097 -3.556 0.685 1.00 0.00 C ATOM 917 CD1 PHE A 107 -6.055 -2.973 -0.128 1.00 0.00 C ATOM 918 CD2 PHE A 107 -3.867 -2.930 0.821 1.00 0.00 C ATOM 919 CE1 PHE A 107 -5.795 -1.789 -0.791 1.00 0.00 C ATOM 920 CE2 PHE A 107 -3.600 -1.745 0.159 1.00 0.00 C ATOM 921 CZ PHE A 107 -4.565 -1.175 -0.647 1.00 0.00 C ATOM 0 H PHE A 107 -6.939 -6.382 -0.576 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.141 -6.155 0.247 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.413 -4.821 1.770 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.739 -4.911 2.281 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -7.017 -3.450 -0.245 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.109 -3.372 1.451 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -6.551 -1.344 -1.421 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -2.638 -1.267 0.273 1.00 0.00 H new ATOM 0 HZ PHE A 107 -4.359 -0.250 -1.165 1.00 0.00 H new ATOM 931 N ASP A 108 -5.379 -8.501 0.711 1.00 0.00 N ATOM 932 CA ASP A 108 -5.684 -9.774 1.358 1.00 0.00 C ATOM 933 C ASP A 108 -4.874 -9.943 2.639 1.00 0.00 C ATOM 934 O ASP A 108 -3.837 -9.304 2.818 1.00 0.00 O ATOM 935 CB ASP A 108 -5.403 -10.936 0.405 1.00 0.00 C ATOM 936 CG ASP A 108 -6.625 -11.338 -0.397 1.00 0.00 C ATOM 937 OD1 ASP A 108 -7.258 -10.446 -1.002 1.00 0.00 O ATOM 938 OD2 ASP A 108 -6.950 -12.543 -0.421 1.00 0.00 O ATOM 0 H ASP A 108 -5.034 -8.587 -0.245 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.743 -9.775 1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -4.601 -10.656 -0.277 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.050 -11.794 0.977 1.00 0.00 H new ATOM 943 N GLU A 109 -5.355 -10.807 3.528 1.00 0.00 N ATOM 944 CA GLU A 109 -4.675 -11.060 4.793 1.00 0.00 C ATOM 945 C GLU A 109 -4.563 -9.781 5.615 1.00 0.00 C ATOM 946 O GLU A 109 -5.149 -8.755 5.269 1.00 0.00 O ATOM 947 CB GLU A 109 -3.283 -11.645 4.538 1.00 0.00 C ATOM 948 CG GLU A 109 -3.206 -13.148 4.750 1.00 0.00 C ATOM 949 CD GLU A 109 -3.035 -13.912 3.451 1.00 0.00 C ATOM 950 OE1 GLU A 109 -1.977 -13.753 2.806 1.00 0.00 O ATOM 951 OE2 GLU A 109 -3.957 -14.668 3.080 1.00 0.00 O ATOM 0 H GLU A 109 -6.213 -11.343 3.395 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.265 -11.781 5.359 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -2.983 -11.415 3.516 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.566 -11.156 5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.372 -13.375 5.414 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -4.113 -13.488 5.250 1.00 0.00 H new ATOM 958 N ALA A 110 -3.808 -9.849 6.707 1.00 0.00 N ATOM 959 CA ALA A 110 -3.618 -8.694 7.577 1.00 0.00 C ATOM 960 C ALA A 110 -2.428 -7.856 7.125 1.00 0.00 C ATOM 961 O ALA A 110 -1.538 -7.543 7.915 1.00 0.00 O ATOM 962 CB ALA A 110 -3.435 -9.148 9.019 1.00 0.00 C ATOM 0 H ALA A 110 -3.318 -10.691 7.010 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.509 -8.069 7.515 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.294 -8.277 9.659 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.319 -9.697 9.343 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.561 -9.795 9.089 1.00 0.00 H new ATOM 968 N LYS A 111 -2.418 -7.493 5.846 1.00 0.00 N ATOM 969 CA LYS A 111 -1.338 -6.691 5.286 1.00 0.00 C ATOM 970 C LYS A 111 -1.843 -5.311 4.876 1.00 0.00 C ATOM 971 O LYS A 111 -2.737 -5.190 4.039 1.00 0.00 O ATOM 972 CB LYS A 111 -0.720 -7.400 4.079 1.00 0.00 C ATOM 973 CG LYS A 111 -0.257 -8.818 4.380 1.00 0.00 C ATOM 974 CD LYS A 111 1.073 -8.825 5.115 1.00 0.00 C ATOM 975 CE LYS A 111 1.070 -9.823 6.261 1.00 0.00 C ATOM 976 NZ LYS A 111 0.296 -9.324 7.431 1.00 0.00 N ATOM 0 H LYS A 111 -3.147 -7.742 5.178 1.00 0.00 H new ATOM 0 HA LYS A 111 -0.575 -6.566 6.054 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -1.451 -7.429 3.271 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.129 -6.817 3.721 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -1.009 -9.327 4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.162 -9.376 3.449 1.00 0.00 H new ATOM 0 HD2 LYS A 111 1.874 -9.072 4.418 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.282 -7.827 5.500 1.00 0.00 H new ATOM 0 HE2 LYS A 111 0.644 -10.766 5.920 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.096 -10.029 6.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 0.912 -9.296 8.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -0.059 -8.367 7.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -0.506 -9.960 7.613 1.00 0.00 H new ATOM 990 N ARG A 112 -1.265 -4.273 5.472 1.00 0.00 N ATOM 991 CA ARG A 112 -1.658 -2.902 5.171 1.00 0.00 C ATOM 992 C ARG A 112 -0.766 -2.306 4.086 1.00 0.00 C ATOM 993 O ARG A 112 -0.274 -1.185 4.219 1.00 0.00 O ATOM 994 CB ARG A 112 -1.590 -2.043 6.435 1.00 0.00 C ATOM 995 CG ARG A 112 -2.654 -2.388 7.464 1.00 0.00 C ATOM 996 CD ARG A 112 -2.156 -2.155 8.882 1.00 0.00 C ATOM 997 NE ARG A 112 -2.512 -3.256 9.774 1.00 0.00 N ATOM 998 CZ ARG A 112 -2.365 -3.215 11.096 1.00 0.00 C ATOM 999 NH1 ARG A 112 -1.869 -2.132 11.683 1.00 0.00 N ATOM 1000 NH2 ARG A 112 -2.714 -4.260 11.834 1.00 0.00 N ATOM 0 H ARG A 112 -0.523 -4.356 6.166 1.00 0.00 H new ATOM 0 HA ARG A 112 -2.684 -2.915 4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -0.606 -2.158 6.890 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -1.692 -0.994 6.157 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -3.543 -1.783 7.286 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.949 -3.431 7.348 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.073 -2.033 8.871 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -2.577 -1.226 9.266 1.00 0.00 H new ATOM 0 HE ARG A 112 -2.895 -4.105 9.359 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.598 -1.326 11.120 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.759 -2.107 12.697 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -3.095 -5.095 11.388 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.602 -4.229 12.847 1.00 0.00 H new ATOM 1014 N SER A 113 -0.562 -3.060 3.012 1.00 0.00 N ATOM 1015 CA SER A 113 0.271 -2.601 1.906 1.00 0.00 C ATOM 1016 C SER A 113 -0.156 -3.251 0.592 1.00 0.00 C ATOM 1017 O SER A 113 -1.167 -3.951 0.533 1.00 0.00 O ATOM 1018 CB SER A 113 1.743 -2.906 2.183 1.00 0.00 C ATOM 1019 OG SER A 113 1.969 -3.115 3.567 1.00 0.00 O ATOM 0 H SER A 113 -0.961 -3.990 2.883 1.00 0.00 H new ATOM 0 HA SER A 113 0.142 -1.522 1.816 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.046 -3.792 1.624 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.361 -2.080 1.831 1.00 0.00 H new ATOM 0 HG SER A 113 2.918 -3.310 3.718 1.00 0.00 H new ATOM 1025 N CYS A 114 0.624 -3.012 -0.455 1.00 0.00 N ATOM 1026 CA CYS A 114 0.334 -3.569 -1.773 1.00 0.00 C ATOM 1027 C CYS A 114 0.972 -4.945 -1.934 1.00 0.00 C ATOM 1028 O CYS A 114 1.780 -5.366 -1.106 1.00 0.00 O ATOM 1029 CB CYS A 114 0.840 -2.619 -2.859 1.00 0.00 C ATOM 1030 SG CYS A 114 -0.107 -2.666 -4.395 1.00 0.00 S ATOM 0 H CYS A 114 1.464 -2.435 -0.418 1.00 0.00 H new ATOM 0 HA CYS A 114 -0.745 -3.684 -1.872 1.00 0.00 H new ATOM 0 HB2 CYS A 114 0.826 -1.601 -2.469 1.00 0.00 H new ATOM 0 HB3 CYS A 114 1.879 -2.861 -3.080 1.00 0.00 H new ATOM 1035 N ARG A 115 0.602 -5.645 -3.002 1.00 0.00 N ATOM 1036 CA ARG A 115 1.137 -6.976 -3.266 1.00 0.00 C ATOM 1037 C ARG A 115 2.118 -6.958 -4.437 1.00 0.00 C ATOM 1038 O ARG A 115 2.325 -7.974 -5.101 1.00 0.00 O ATOM 1039 CB ARG A 115 0.000 -7.957 -3.557 1.00 0.00 C ATOM 1040 CG ARG A 115 0.364 -9.407 -3.288 1.00 0.00 C ATOM 1041 CD ARG A 115 -0.860 -10.307 -3.344 1.00 0.00 C ATOM 1042 NE ARG A 115 -1.446 -10.351 -4.681 1.00 0.00 N ATOM 1043 CZ ARG A 115 -0.958 -11.083 -5.681 1.00 0.00 C ATOM 1044 NH1 ARG A 115 0.122 -11.831 -5.498 1.00 0.00 N ATOM 1045 NH2 ARG A 115 -1.553 -11.067 -6.866 1.00 0.00 N ATOM 0 H ARG A 115 -0.066 -5.313 -3.698 1.00 0.00 H new ATOM 0 HA ARG A 115 1.674 -7.301 -2.375 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -0.864 -7.689 -2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.300 -7.854 -4.600 1.00 0.00 H new ATOM 0 HG2 ARG A 115 1.097 -9.742 -4.022 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.834 -9.490 -2.308 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -0.583 -11.315 -3.036 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -1.605 -9.950 -2.633 1.00 0.00 H new ATOM 0 HE ARG A 115 -2.278 -9.788 -4.859 1.00 0.00 H new ATOM 0 HH11 ARG A 115 0.583 -11.847 -4.588 1.00 0.00 H new ATOM 0 HH12 ARG A 115 0.492 -12.390 -6.267 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -2.384 -10.494 -7.012 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -1.179 -11.628 -7.632 1.00 0.00 H new ATOM 1059 N ARG A 116 2.720 -5.799 -4.685 1.00 0.00 N ATOM 1060 CA ARG A 116 3.679 -5.655 -5.773 1.00 0.00 C ATOM 1061 C ARG A 116 5.092 -5.959 -5.294 1.00 0.00 C ATOM 1062 O ARG A 116 5.854 -6.651 -5.966 1.00 0.00 O ATOM 1063 CB ARG A 116 3.616 -4.239 -6.353 1.00 0.00 C ATOM 1064 CG ARG A 116 3.833 -4.188 -7.856 1.00 0.00 C ATOM 1065 CD ARG A 116 5.275 -3.849 -8.200 1.00 0.00 C ATOM 1066 NE ARG A 116 5.433 -3.490 -9.607 1.00 0.00 N ATOM 1067 CZ ARG A 116 5.119 -2.296 -10.107 1.00 0.00 C ATOM 1068 NH1 ARG A 116 4.633 -1.346 -9.318 1.00 0.00 N ATOM 1069 NH2 ARG A 116 5.293 -2.052 -11.398 1.00 0.00 N ATOM 0 H ARG A 116 2.560 -4.947 -4.147 1.00 0.00 H new ATOM 0 HA ARG A 116 3.418 -6.370 -6.553 1.00 0.00 H new ATOM 0 HB2 ARG A 116 2.645 -3.802 -6.119 1.00 0.00 H new ATOM 0 HB3 ARG A 116 4.369 -3.621 -5.864 1.00 0.00 H new ATOM 0 HG2 ARG A 116 3.570 -5.150 -8.295 1.00 0.00 H new ATOM 0 HG3 ARG A 116 3.169 -3.444 -8.296 1.00 0.00 H new ATOM 0 HD2 ARG A 116 5.612 -3.022 -7.575 1.00 0.00 H new ATOM 0 HD3 ARG A 116 5.913 -4.703 -7.970 1.00 0.00 H new ATOM 0 HE ARG A 116 5.805 -4.195 -10.244 1.00 0.00 H new ATOM 0 HH11 ARG A 116 4.498 -1.528 -8.324 1.00 0.00 H new ATOM 0 HH12 ARG A 116 4.394 -0.433 -9.706 1.00 0.00 H new ATOM 0 HH21 ARG A 116 5.667 -2.778 -12.008 1.00 0.00 H new ATOM 0 HH22 ARG A 116 5.053 -1.138 -11.781 1.00 0.00 H new ATOM 1083 N ARG A 117 5.433 -5.435 -4.123 1.00 0.00 N ATOM 1084 CA ARG A 117 6.754 -5.646 -3.542 1.00 0.00 C ATOM 1085 C ARG A 117 6.668 -6.510 -2.288 1.00 0.00 C ATOM 1086 O ARG A 117 7.572 -7.293 -1.999 1.00 0.00 O ATOM 1087 CB ARG A 117 7.409 -4.302 -3.209 1.00 0.00 C ATOM 1088 CG ARG A 117 8.877 -4.230 -3.595 1.00 0.00 C ATOM 1089 CD ARG A 117 9.767 -4.828 -2.519 1.00 0.00 C ATOM 1090 NE ARG A 117 10.365 -3.800 -1.667 1.00 0.00 N ATOM 1091 CZ ARG A 117 11.435 -4.001 -0.903 1.00 0.00 C ATOM 1092 NH1 ARG A 117 12.029 -5.187 -0.879 1.00 0.00 N ATOM 1093 NH2 ARG A 117 11.914 -3.012 -0.160 1.00 0.00 N ATOM 0 H ARG A 117 4.811 -4.859 -3.555 1.00 0.00 H new ATOM 0 HA ARG A 117 7.367 -6.168 -4.277 1.00 0.00 H new ATOM 0 HB2 ARG A 117 6.868 -3.506 -3.721 1.00 0.00 H new ATOM 0 HB3 ARG A 117 7.313 -4.115 -2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 117 9.034 -4.761 -4.534 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.159 -3.191 -3.765 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.182 -5.513 -1.905 1.00 0.00 H new ATOM 0 HD3 ARG A 117 10.557 -5.415 -2.987 1.00 0.00 H new ATOM 0 HE ARG A 117 9.936 -2.875 -1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 117 11.665 -5.951 -1.449 1.00 0.00 H new ATOM 0 HH12 ARG A 117 12.849 -5.335 -0.291 1.00 0.00 H new ATOM 0 HH21 ARG A 117 11.462 -2.098 -0.175 1.00 0.00 H new ATOM 0 HH22 ARG A 117 12.735 -3.166 0.426 1.00 0.00 H new ATOM 1107 N LEU A 118 5.574 -6.363 -1.547 1.00 0.00 N ATOM 1108 CA LEU A 118 5.369 -7.131 -0.324 1.00 0.00 C ATOM 1109 C LEU A 118 5.367 -8.629 -0.618 1.00 0.00 C ATOM 1110 O LEU A 118 5.850 -9.430 0.182 1.00 0.00 O ATOM 1111 CB LEU A 118 4.053 -6.729 0.343 1.00 0.00 C ATOM 1112 CG LEU A 118 4.103 -6.629 1.869 1.00 0.00 C ATOM 1113 CD1 LEU A 118 4.616 -5.264 2.297 1.00 0.00 C ATOM 1114 CD2 LEU A 118 2.730 -6.896 2.464 1.00 0.00 C ATOM 0 H LEU A 118 4.816 -5.719 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 118 6.193 -6.912 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.740 -5.765 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 118 3.287 -7.454 0.067 1.00 0.00 H new ATOM 0 HG LEU A 118 4.792 -7.386 2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.645 -5.211 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 118 5.619 -5.111 1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 118 3.952 -4.489 1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 118 2.783 -6.821 3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 118 2.020 -6.162 2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 118 2.401 -7.897 2.185 1.00 0.00 H new ATOM 1126 N ALA A 119 4.821 -8.997 -1.771 1.00 0.00 N ATOM 1127 CA ALA A 119 4.753 -10.398 -2.175 1.00 0.00 C ATOM 1128 C ALA A 119 5.989 -10.809 -2.973 1.00 0.00 C ATOM 1129 O ALA A 119 5.958 -11.793 -3.714 1.00 0.00 O ATOM 1130 CB ALA A 119 3.492 -10.651 -2.985 1.00 0.00 C ATOM 0 H ALA A 119 4.418 -8.345 -2.444 1.00 0.00 H new ATOM 0 HA ALA A 119 4.723 -11.007 -1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.453 -11.700 -3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 119 2.617 -10.412 -2.380 1.00 0.00 H new ATOM 0 HB3 ALA A 119 3.500 -10.023 -3.876 1.00 0.00 H new ATOM 1136 N GLY A 120 7.076 -10.057 -2.822 1.00 0.00 N ATOM 1137 CA GLY A 120 8.298 -10.370 -3.540 1.00 0.00 C ATOM 1138 C GLY A 120 8.858 -11.727 -3.162 1.00 0.00 C ATOM 1139 O GLY A 120 9.522 -12.379 -3.970 1.00 0.00 O ATOM 0 H GLY A 120 7.132 -9.238 -2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 120 8.103 -10.346 -4.612 1.00 0.00 H new ATOM 0 HA3 GLY A 120 9.044 -9.602 -3.335 1.00 0.00 H new ATOM 1143 N HIS A 121 8.590 -12.155 -1.932 1.00 0.00 N ATOM 1144 CA HIS A 121 9.072 -13.443 -1.449 1.00 0.00 C ATOM 1145 C HIS A 121 8.414 -14.588 -2.212 1.00 0.00 C ATOM 1146 O HIS A 121 9.010 -15.651 -2.390 1.00 0.00 O ATOM 1147 CB HIS A 121 8.793 -13.586 0.048 1.00 0.00 C ATOM 1148 CG HIS A 121 9.818 -14.401 0.772 1.00 0.00 C ATOM 1149 ND1 HIS A 121 9.779 -14.624 2.133 1.00 0.00 N ATOM 1150 CD2 HIS A 121 10.917 -15.050 0.319 1.00 0.00 C ATOM 1151 CE1 HIS A 121 10.809 -15.373 2.484 1.00 0.00 C ATOM 1152 NE2 HIS A 121 11.513 -15.646 1.403 1.00 0.00 N ATOM 0 H HIS A 121 8.042 -11.628 -1.252 1.00 0.00 H new ATOM 0 HA HIS A 121 10.148 -13.488 -1.617 1.00 0.00 H new ATOM 0 HB2 HIS A 121 8.746 -12.594 0.497 1.00 0.00 H new ATOM 0 HB3 HIS A 121 7.814 -14.044 0.185 1.00 0.00 H new ATOM 0 HD2 HIS A 121 11.261 -15.091 -0.704 1.00 0.00 H new ATOM 0 HE1 HIS A 121 11.036 -15.705 3.486 1.00 0.00 H new ATOM 0 HE2 HIS A 121 12.363 -16.209 1.376 1.00 0.00 H new ATOM 1160 N ASN A 122 7.182 -14.365 -2.660 1.00 0.00 N ATOM 1161 CA ASN A 122 6.443 -15.378 -3.405 1.00 0.00 C ATOM 1162 C ASN A 122 7.198 -15.786 -4.666 1.00 0.00 C ATOM 1163 O ASN A 122 8.263 -15.249 -4.966 1.00 0.00 O ATOM 1164 CB ASN A 122 5.054 -14.853 -3.774 1.00 0.00 C ATOM 1165 CG ASN A 122 3.975 -15.906 -3.609 1.00 0.00 C ATOM 1166 OD1 ASN A 122 4.149 -17.058 -4.008 1.00 0.00 O ATOM 1167 ND2 ASN A 122 2.852 -15.514 -3.019 1.00 0.00 N ATOM 0 H ASN A 122 6.675 -13.491 -2.520 1.00 0.00 H new ATOM 0 HA ASN A 122 6.336 -16.257 -2.769 1.00 0.00 H new ATOM 0 HB2 ASN A 122 4.816 -13.992 -3.149 1.00 0.00 H new ATOM 0 HB3 ASN A 122 5.063 -14.505 -4.807 1.00 0.00 H new ATOM 0 HD21 ASN A 122 2.090 -16.178 -2.881 1.00 0.00 H new ATOM 0 HD22 ASN A 122 2.751 -14.549 -2.704 1.00 0.00 H new ATOM 1174 N GLU A 123 6.638 -16.743 -5.400 1.00 0.00 N ATOM 1175 CA GLU A 123 7.258 -17.225 -6.628 1.00 0.00 C ATOM 1176 C GLU A 123 6.227 -17.349 -7.745 1.00 0.00 C ATOM 1177 O GLU A 123 5.027 -17.193 -7.516 1.00 0.00 O ATOM 1178 CB GLU A 123 7.933 -18.576 -6.388 1.00 0.00 C ATOM 1179 CG GLU A 123 9.279 -18.714 -7.081 1.00 0.00 C ATOM 1180 CD GLU A 123 10.440 -18.340 -6.182 1.00 0.00 C ATOM 1181 OE1 GLU A 123 10.652 -19.036 -5.166 1.00 0.00 O ATOM 1182 OE2 GLU A 123 11.139 -17.354 -6.494 1.00 0.00 O ATOM 0 H GLU A 123 5.756 -17.199 -5.165 1.00 0.00 H new ATOM 0 HA GLU A 123 8.013 -16.500 -6.933 1.00 0.00 H new ATOM 0 HB2 GLU A 123 8.069 -18.720 -5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 123 7.272 -19.370 -6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 123 9.404 -19.742 -7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 123 9.293 -18.081 -7.968 1.00 0.00 H new ATOM 1189 N ARG A 124 6.701 -17.631 -8.954 1.00 0.00 N ATOM 1190 CA ARG A 124 5.820 -17.776 -10.107 1.00 0.00 C ATOM 1191 C ARG A 124 6.521 -18.522 -11.238 1.00 0.00 C ATOM 1192 O ARG A 124 6.317 -18.221 -12.414 1.00 0.00 O ATOM 1193 CB ARG A 124 5.356 -16.403 -10.596 1.00 0.00 C ATOM 1194 CG ARG A 124 6.491 -15.512 -11.075 1.00 0.00 C ATOM 1195 CD ARG A 124 6.342 -14.089 -10.562 1.00 0.00 C ATOM 1196 NE ARG A 124 6.684 -13.100 -11.581 1.00 0.00 N ATOM 1197 CZ ARG A 124 7.928 -12.850 -11.983 1.00 0.00 C ATOM 1198 NH1 ARG A 124 8.950 -13.514 -11.456 1.00 0.00 N ATOM 1199 NH2 ARG A 124 8.152 -11.935 -12.916 1.00 0.00 N ATOM 0 H ARG A 124 7.691 -17.764 -9.161 1.00 0.00 H new ATOM 0 HA ARG A 124 4.951 -18.357 -9.798 1.00 0.00 H new ATOM 0 HB2 ARG A 124 4.643 -16.538 -11.410 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.826 -15.899 -9.788 1.00 0.00 H new ATOM 0 HG2 ARG A 124 7.443 -15.923 -10.739 1.00 0.00 H new ATOM 0 HG3 ARG A 124 6.514 -15.506 -12.165 1.00 0.00 H new ATOM 0 HD2 ARG A 124 5.316 -13.929 -10.232 1.00 0.00 H new ATOM 0 HD3 ARG A 124 6.983 -13.949 -9.691 1.00 0.00 H new ATOM 0 HE ARG A 124 5.925 -12.570 -12.010 1.00 0.00 H new ATOM 0 HH11 ARG A 124 8.784 -14.220 -10.739 1.00 0.00 H new ATOM 0 HH12 ARG A 124 9.901 -13.318 -11.768 1.00 0.00 H new ATOM 0 HH21 ARG A 124 7.371 -11.423 -13.326 1.00 0.00 H new ATOM 0 HH22 ARG A 124 9.105 -11.743 -13.224 1.00 0.00 H new ATOM 1213 N ARG A 125 7.348 -19.497 -10.873 1.00 0.00 N ATOM 1214 CA ARG A 125 8.079 -20.286 -11.858 1.00 0.00 C ATOM 1215 C ARG A 125 7.165 -21.311 -12.521 1.00 0.00 C ATOM 1216 O ARG A 125 5.961 -21.338 -12.270 1.00 0.00 O ATOM 1217 CB ARG A 125 9.264 -20.993 -11.194 1.00 0.00 C ATOM 1218 CG ARG A 125 10.576 -20.240 -11.332 1.00 0.00 C ATOM 1219 CD ARG A 125 11.749 -21.191 -11.512 1.00 0.00 C ATOM 1220 NE ARG A 125 12.985 -20.484 -11.835 1.00 0.00 N ATOM 1221 CZ ARG A 125 14.187 -21.055 -11.839 1.00 0.00 C ATOM 1222 NH1 ARG A 125 14.318 -22.342 -11.538 1.00 0.00 N ATOM 1223 NH2 ARG A 125 15.260 -20.340 -12.148 1.00 0.00 N ATOM 0 H ARG A 125 7.528 -19.759 -9.904 1.00 0.00 H new ATOM 0 HA ARG A 125 8.452 -19.610 -12.627 1.00 0.00 H new ATOM 0 HB2 ARG A 125 9.045 -21.134 -10.136 1.00 0.00 H new ATOM 0 HB3 ARG A 125 9.376 -21.985 -11.632 1.00 0.00 H new ATOM 0 HG2 ARG A 125 10.520 -19.564 -12.185 1.00 0.00 H new ATOM 0 HG3 ARG A 125 10.738 -19.624 -10.447 1.00 0.00 H new ATOM 0 HD2 ARG A 125 11.890 -21.768 -10.598 1.00 0.00 H new ATOM 0 HD3 ARG A 125 11.520 -21.902 -12.306 1.00 0.00 H new ATOM 0 HE ARG A 125 12.923 -19.494 -12.072 1.00 0.00 H new ATOM 0 HH11 ARG A 125 13.495 -22.897 -11.303 1.00 0.00 H new ATOM 0 HH12 ARG A 125 15.241 -22.775 -11.542 1.00 0.00 H new ATOM 0 HH21 ARG A 125 15.164 -19.352 -12.383 1.00 0.00 H new ATOM 0 HH22 ARG A 125 16.181 -20.778 -12.151 1.00 0.00 H new ATOM 1237 N ARG A 126 7.746 -22.152 -13.370 1.00 0.00 N ATOM 1238 CA ARG A 126 6.985 -23.179 -14.071 1.00 0.00 C ATOM 1239 C ARG A 126 7.289 -24.563 -13.507 1.00 0.00 C ATOM 1240 O ARG A 126 6.390 -25.270 -13.052 1.00 0.00 O ATOM 1241 CB ARG A 126 7.301 -23.146 -15.568 1.00 0.00 C ATOM 1242 CG ARG A 126 7.088 -21.782 -16.205 1.00 0.00 C ATOM 1243 CD ARG A 126 7.912 -21.624 -17.472 1.00 0.00 C ATOM 1244 NE ARG A 126 8.111 -20.220 -17.825 1.00 0.00 N ATOM 1245 CZ ARG A 126 8.895 -19.389 -17.142 1.00 0.00 C ATOM 1246 NH1 ARG A 126 9.553 -19.815 -16.071 1.00 0.00 N ATOM 1247 NH2 ARG A 126 9.022 -18.127 -17.530 1.00 0.00 N ATOM 0 H ARG A 126 8.742 -22.142 -13.589 1.00 0.00 H new ATOM 0 HA ARG A 126 5.925 -22.972 -13.925 1.00 0.00 H new ATOM 0 HB2 ARG A 126 8.337 -23.451 -15.719 1.00 0.00 H new ATOM 0 HB3 ARG A 126 6.676 -23.878 -16.079 1.00 0.00 H new ATOM 0 HG2 ARG A 126 6.032 -21.649 -16.438 1.00 0.00 H new ATOM 0 HG3 ARG A 126 7.358 -21.001 -15.494 1.00 0.00 H new ATOM 0 HD2 ARG A 126 8.881 -22.104 -17.336 1.00 0.00 H new ATOM 0 HD3 ARG A 126 7.414 -22.137 -18.295 1.00 0.00 H new ATOM 0 HE ARG A 126 7.621 -19.856 -18.642 1.00 0.00 H new ATOM 0 HH11 ARG A 126 9.459 -20.784 -15.767 1.00 0.00 H new ATOM 0 HH12 ARG A 126 10.152 -19.173 -15.552 1.00 0.00 H new ATOM 0 HH21 ARG A 126 8.519 -17.793 -18.352 1.00 0.00 H new ATOM 0 HH22 ARG A 126 9.623 -17.490 -17.006 1.00 0.00 H new ATOM 1261 N LYS A 127 8.562 -24.942 -13.538 1.00 0.00 N ATOM 1262 CA LYS A 127 8.986 -26.241 -13.029 1.00 0.00 C ATOM 1263 C LYS A 127 9.835 -26.081 -11.772 1.00 0.00 C ATOM 1264 O LYS A 127 10.989 -25.657 -11.839 1.00 0.00 O ATOM 1265 CB LYS A 127 9.775 -26.998 -14.098 1.00 0.00 C ATOM 1266 CG LYS A 127 9.785 -28.506 -13.893 1.00 0.00 C ATOM 1267 CD LYS A 127 9.716 -29.248 -15.218 1.00 0.00 C ATOM 1268 CE LYS A 127 8.824 -30.476 -15.122 1.00 0.00 C ATOM 1269 NZ LYS A 127 9.359 -31.615 -15.917 1.00 0.00 N ATOM 0 H LYS A 127 9.318 -24.368 -13.910 1.00 0.00 H new ATOM 0 HA LYS A 127 8.094 -26.812 -12.773 1.00 0.00 H new ATOM 0 HB2 LYS A 127 9.350 -26.775 -15.077 1.00 0.00 H new ATOM 0 HB3 LYS A 127 10.802 -26.634 -14.106 1.00 0.00 H new ATOM 0 HG2 LYS A 127 10.690 -28.796 -13.359 1.00 0.00 H new ATOM 0 HG3 LYS A 127 8.940 -28.795 -13.268 1.00 0.00 H new ATOM 0 HD2 LYS A 127 9.336 -28.580 -15.991 1.00 0.00 H new ATOM 0 HD3 LYS A 127 10.719 -29.548 -15.521 1.00 0.00 H new ATOM 0 HE2 LYS A 127 8.729 -30.775 -14.078 1.00 0.00 H new ATOM 0 HE3 LYS A 127 7.823 -30.226 -15.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 8.722 -32.432 -15.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 9.426 -31.339 -16.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 10.303 -31.871 -15.565 1.00 0.00 H new ATOM 1283 N SER A 128 9.257 -26.423 -10.624 1.00 0.00 N ATOM 1284 CA SER A 128 9.961 -26.317 -9.353 1.00 0.00 C ATOM 1285 C SER A 128 11.145 -27.279 -9.303 1.00 0.00 C ATOM 1286 O SER A 128 12.181 -26.974 -8.714 1.00 0.00 O ATOM 1287 CB SER A 128 9.006 -26.604 -8.191 1.00 0.00 C ATOM 1288 OG SER A 128 9.225 -25.707 -7.117 1.00 0.00 O ATOM 0 H SER A 128 8.303 -26.776 -10.549 1.00 0.00 H new ATOM 0 HA SER A 128 10.340 -25.299 -9.261 1.00 0.00 H new ATOM 0 HB2 SER A 128 7.975 -26.520 -8.534 1.00 0.00 H new ATOM 0 HB3 SER A 128 9.145 -27.629 -7.847 1.00 0.00 H new ATOM 0 HG SER A 128 8.602 -25.910 -6.389 1.00 0.00 H new ATOM 1294 N SER A 129 10.981 -28.442 -9.926 1.00 0.00 N ATOM 1295 CA SER A 129 12.037 -29.447 -9.954 1.00 0.00 C ATOM 1296 C SER A 129 13.204 -28.987 -10.820 1.00 0.00 C ATOM 1297 O SER A 129 13.015 -28.273 -11.805 1.00 0.00 O ATOM 1298 CB SER A 129 11.490 -30.776 -10.479 1.00 0.00 C ATOM 1299 OG SER A 129 10.902 -31.534 -9.437 1.00 0.00 O ATOM 0 H SER A 129 10.128 -28.711 -10.417 1.00 0.00 H new ATOM 0 HA SER A 129 12.398 -29.587 -8.935 1.00 0.00 H new ATOM 0 HB2 SER A 129 10.750 -30.586 -11.257 1.00 0.00 H new ATOM 0 HB3 SER A 129 12.296 -31.348 -10.939 1.00 0.00 H new ATOM 0 HG SER A 129 10.559 -32.377 -9.799 1.00 0.00 H new ATOM 1305 N GLY A 130 14.410 -29.401 -10.447 1.00 0.00 N ATOM 1306 CA GLY A 130 15.592 -29.020 -11.200 1.00 0.00 C ATOM 1307 C GLY A 130 16.380 -27.917 -10.524 1.00 0.00 C ATOM 1308 O GLY A 130 16.206 -26.739 -10.839 1.00 0.00 O ATOM 0 H GLY A 130 14.591 -29.994 -9.637 1.00 0.00 H new ATOM 0 HA2 GLY A 130 16.233 -29.892 -11.330 1.00 0.00 H new ATOM 0 HA3 GLY A 130 15.294 -28.692 -12.196 1.00 0.00 H new ATOM 1312 N GLU A 131 17.250 -28.297 -9.595 1.00 0.00 N ATOM 1313 CA GLU A 131 18.070 -27.329 -8.874 1.00 0.00 C ATOM 1314 C GLU A 131 19.317 -26.970 -9.673 1.00 0.00 C ATOM 1315 O GLU A 131 20.109 -26.134 -9.188 1.00 0.00 O ATOM 1316 CB GLU A 131 18.469 -27.886 -7.506 1.00 0.00 C ATOM 1317 CG GLU A 131 18.994 -26.827 -6.549 1.00 0.00 C ATOM 1318 CD GLU A 131 17.978 -26.443 -5.489 1.00 0.00 C ATOM 1319 OE1 GLU A 131 16.766 -26.582 -5.752 1.00 0.00 O ATOM 1320 OE2 GLU A 131 18.397 -26.002 -4.398 1.00 0.00 O ATOM 0 H GLU A 131 17.406 -29.268 -9.323 1.00 0.00 H new ATOM 0 HA GLU A 131 17.479 -26.424 -8.732 1.00 0.00 H new ATOM 0 HB2 GLU A 131 17.605 -28.375 -7.056 1.00 0.00 H new ATOM 0 HB3 GLU A 131 19.233 -28.651 -7.643 1.00 0.00 H new ATOM 0 HG2 GLU A 131 19.897 -27.197 -6.064 1.00 0.00 H new ATOM 0 HG3 GLU A 131 19.276 -25.939 -7.115 1.00 0.00 H new TER 1327 GLU A 131 HETATM 1328 ZN ZN A 138 -9.242 14.174 2.988 1.00 0.00 ZN HETATM 1329 ZN ZN A 139 -0.368 -0.235 -4.633 1.00 0.00 ZN