USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 784 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 98 HIS :FLIP no HD1:sc= 0 X(o=-0.18,f=-0.0098) USER MOD Set 1.2: A 100 HIS :FLIP no HD1:sc=-0.00977 F(o=-0.83,f=-0.0098) USER MOD Set 2.1: A 73 GLN : amide:sc= 0.052 X(o=0.08,f=-0.27) USER MOD Set 2.2: A 74 TYR OH : rot 180:sc= 0.0277 USER MOD Set 3.1: A 28 HIS : no HD1:sc= -0.278 K(o=-0.13,f=-12!) USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0.152 USER MOD Set 4.1: A 24 THR OG1 : rot -23:sc= 0.823 USER MOD Set 4.2: A 27 SER OG : rot -140:sc= 1.16 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.604 (180deg=-0.59!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.52 USER MOD Single : A 3 SER OG : rot 121:sc= 0.292 USER MOD Single : A 4 THR OG1 : rot 120:sc= -0.0213 USER MOD Single : A 10 THR OG1 : rot 75:sc= 0.663 USER MOD Single : A 15 THR OG1 : rot 76:sc= 0.917 USER MOD Single : A 16 CYS SG : rot -110:sc= -2.77! USER MOD Single : A 22 THR OG1 : rot -40:sc= 0.304 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 79:sc= 0.54 USER MOD Single : A 62 GLN : amide:sc= -0.22 X(o=-0.22,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.638 X(o=-0.64,f=-0.76) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0995 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -1.6! C(o=-1.6!,f=-8.8!) USER MOD Single : A 91 LYS NZ :NH3+ -138:sc= 1.23 (180deg=0.195) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.509 3.849 6.732 1.00 0.00 N ATOM 2 CA MET A 1 -11.245 2.575 6.716 1.00 0.00 C ATOM 3 C MET A 1 -10.266 1.442 7.053 1.00 0.00 C ATOM 4 O MET A 1 -9.115 1.474 6.600 1.00 0.00 O ATOM 5 CB MET A 1 -11.908 2.331 5.332 1.00 0.00 C ATOM 6 CG MET A 1 -12.706 3.522 4.778 1.00 0.00 C ATOM 7 SD MET A 1 -11.653 4.952 4.409 1.00 0.00 S ATOM 8 CE MET A 1 -12.845 6.186 3.872 1.00 0.00 C ATOM 0 H1 MET A 1 -10.846 4.435 7.523 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.493 3.661 6.848 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.668 4.353 5.836 1.00 0.00 H new ATOM 0 HA MET A 1 -12.044 2.608 7.457 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.131 2.068 4.614 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.574 1.471 5.411 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.228 3.215 3.871 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.468 3.813 5.501 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.324 7.109 3.617 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.380 5.818 2.997 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.555 6.380 4.676 1.00 0.00 H new ATOM 20 N THR A 2 -10.708 0.461 7.864 1.00 0.00 N ATOM 21 CA THR A 2 -9.880 -0.704 8.243 1.00 0.00 C ATOM 22 C THR A 2 -9.811 -1.700 7.062 1.00 0.00 C ATOM 23 O THR A 2 -10.560 -2.679 6.994 1.00 0.00 O ATOM 24 CB THR A 2 -10.406 -1.395 9.552 1.00 0.00 C ATOM 25 OG1 THR A 2 -10.597 -0.392 10.563 1.00 0.00 O ATOM 26 CG2 THR A 2 -9.418 -2.467 10.083 1.00 0.00 C ATOM 0 H THR A 2 -11.642 0.452 8.273 1.00 0.00 H new ATOM 0 HA THR A 2 -8.872 -0.353 8.464 1.00 0.00 H new ATOM 0 HB THR A 2 -11.345 -1.895 9.314 1.00 0.00 H new ATOM 0 HG1 THR A 2 -10.927 -0.814 11.384 1.00 0.00 H new ATOM 0 HG21 THR A 2 -9.823 -2.918 10.989 1.00 0.00 H new ATOM 0 HG22 THR A 2 -9.276 -3.238 9.326 1.00 0.00 H new ATOM 0 HG23 THR A 2 -8.460 -1.999 10.308 1.00 0.00 H new ATOM 34 N SER A 3 -8.922 -1.387 6.113 1.00 0.00 N ATOM 35 CA SER A 3 -8.721 -2.137 4.872 1.00 0.00 C ATOM 36 C SER A 3 -7.401 -1.663 4.249 1.00 0.00 C ATOM 37 O SER A 3 -7.057 -0.475 4.370 1.00 0.00 O ATOM 38 CB SER A 3 -9.934 -1.930 3.924 1.00 0.00 C ATOM 39 OG SER A 3 -10.275 -0.556 3.833 1.00 0.00 O ATOM 0 H SER A 3 -8.304 -0.579 6.192 1.00 0.00 H new ATOM 0 HA SER A 3 -8.656 -3.208 5.061 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.697 -2.317 2.933 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.789 -2.498 4.291 1.00 0.00 H new ATOM 0 HG SER A 3 -10.210 -0.264 2.900 1.00 0.00 H new ATOM 45 N THR A 4 -6.678 -2.589 3.591 1.00 0.00 N ATOM 46 CA THR A 4 -5.257 -2.414 3.230 1.00 0.00 C ATOM 47 C THR A 4 -4.987 -1.120 2.425 1.00 0.00 C ATOM 48 O THR A 4 -4.264 -0.249 2.911 1.00 0.00 O ATOM 49 CB THR A 4 -4.715 -3.650 2.445 1.00 0.00 C ATOM 50 OG1 THR A 4 -5.067 -4.859 3.138 1.00 0.00 O ATOM 51 CG2 THR A 4 -3.185 -3.590 2.280 1.00 0.00 C ATOM 0 H THR A 4 -7.065 -3.485 3.293 1.00 0.00 H new ATOM 0 HA THR A 4 -4.722 -2.324 4.175 1.00 0.00 H new ATOM 0 HB THR A 4 -5.168 -3.638 1.454 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.622 -5.420 2.556 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.844 -4.466 1.729 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.913 -2.688 1.732 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.713 -3.573 3.263 1.00 0.00 H new ATOM 59 N PHE A 5 -5.620 -0.984 1.234 1.00 0.00 N ATOM 60 CA PHE A 5 -5.414 0.187 0.343 1.00 0.00 C ATOM 61 C PHE A 5 -5.785 1.504 1.058 1.00 0.00 C ATOM 62 O PHE A 5 -5.048 2.478 0.962 1.00 0.00 O ATOM 63 CB PHE A 5 -6.223 0.046 -0.990 1.00 0.00 C ATOM 64 CG PHE A 5 -6.382 1.366 -1.758 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.298 1.950 -2.424 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.601 2.055 -1.759 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.434 3.168 -3.059 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.732 3.267 -2.405 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.647 3.825 -3.051 1.00 0.00 C ATOM 0 H PHE A 5 -6.278 -1.671 0.867 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.354 0.217 0.093 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.724 -0.680 -1.632 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.211 -0.354 -0.764 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.345 1.442 -2.441 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.452 1.631 -1.246 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.587 3.609 -3.564 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.683 3.779 -2.405 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.748 4.777 -3.551 1.00 0.00 H new ATOM 79 N ASP A 6 -6.935 1.510 1.747 1.00 0.00 N ATOM 80 CA ASP A 6 -7.466 2.713 2.433 1.00 0.00 C ATOM 81 C ASP A 6 -6.470 3.233 3.473 1.00 0.00 C ATOM 82 O ASP A 6 -6.224 4.439 3.558 1.00 0.00 O ATOM 83 CB ASP A 6 -8.823 2.403 3.102 1.00 0.00 C ATOM 84 CG ASP A 6 -9.934 2.131 2.075 1.00 0.00 C ATOM 85 OD1 ASP A 6 -9.892 1.082 1.403 1.00 0.00 O ATOM 86 OD2 ASP A 6 -10.855 2.965 1.937 1.00 0.00 O ATOM 0 H ASP A 6 -7.528 0.686 1.849 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.616 3.489 1.683 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.714 1.536 3.754 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.114 3.242 3.734 1.00 0.00 H new ATOM 91 N ARG A 7 -5.880 2.291 4.230 1.00 0.00 N ATOM 92 CA ARG A 7 -4.859 2.592 5.245 1.00 0.00 C ATOM 93 C ARG A 7 -3.576 3.138 4.599 1.00 0.00 C ATOM 94 O ARG A 7 -3.009 4.106 5.094 1.00 0.00 O ATOM 95 CB ARG A 7 -4.542 1.337 6.107 1.00 0.00 C ATOM 96 CG ARG A 7 -5.698 0.884 7.022 1.00 0.00 C ATOM 97 CD ARG A 7 -6.078 1.957 8.058 1.00 0.00 C ATOM 98 NE ARG A 7 -7.189 1.519 8.925 1.00 0.00 N ATOM 99 CZ ARG A 7 -7.169 1.495 10.267 1.00 0.00 C ATOM 100 NH1 ARG A 7 -6.062 1.802 10.934 1.00 0.00 N ATOM 101 NH2 ARG A 7 -8.269 1.161 10.930 1.00 0.00 N ATOM 0 H ARG A 7 -6.099 1.298 4.154 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.264 3.364 5.899 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.276 0.514 5.444 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.668 1.546 6.723 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.569 0.646 6.412 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.412 -0.032 7.539 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.209 2.191 8.673 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.361 2.875 7.542 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.045 1.208 8.465 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -5.216 2.059 10.426 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.058 1.780 11.954 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.120 0.925 10.420 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -8.263 1.140 11.950 1.00 0.00 H new ATOM 115 N VAL A 8 -3.161 2.537 3.469 1.00 0.00 N ATOM 116 CA VAL A 8 -1.916 2.906 2.759 1.00 0.00 C ATOM 117 C VAL A 8 -2.046 4.303 2.130 1.00 0.00 C ATOM 118 O VAL A 8 -1.114 5.094 2.182 1.00 0.00 O ATOM 119 CB VAL A 8 -1.568 1.836 1.651 1.00 0.00 C ATOM 120 CG1 VAL A 8 -0.364 2.278 0.773 1.00 0.00 C ATOM 121 CG2 VAL A 8 -1.289 0.457 2.298 1.00 0.00 C ATOM 0 H VAL A 8 -3.678 1.781 3.020 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.104 2.927 3.486 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.435 1.752 0.996 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.159 1.513 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.602 3.218 0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.515 2.414 1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.051 -0.268 1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.447 0.541 2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.172 0.126 2.845 1.00 0.00 H new ATOM 131 N ALA A 9 -3.227 4.587 1.559 1.00 0.00 N ATOM 132 CA ALA A 9 -3.541 5.879 0.920 1.00 0.00 C ATOM 133 C ALA A 9 -3.510 7.023 1.953 1.00 0.00 C ATOM 134 O ALA A 9 -3.045 8.131 1.655 1.00 0.00 O ATOM 135 CB ALA A 9 -4.912 5.801 0.215 1.00 0.00 C ATOM 0 H ALA A 9 -3.999 3.922 1.526 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.780 6.093 0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.135 6.759 -0.254 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.886 5.022 -0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.685 5.567 0.947 1.00 0.00 H new ATOM 141 N THR A 10 -4.034 6.728 3.163 1.00 0.00 N ATOM 142 CA THR A 10 -3.990 7.648 4.318 1.00 0.00 C ATOM 143 C THR A 10 -2.539 7.862 4.806 1.00 0.00 C ATOM 144 O THR A 10 -2.156 8.986 5.127 1.00 0.00 O ATOM 145 CB THR A 10 -4.886 7.127 5.493 1.00 0.00 C ATOM 146 OG1 THR A 10 -6.213 6.886 5.008 1.00 0.00 O ATOM 147 CG2 THR A 10 -4.959 8.118 6.670 1.00 0.00 C ATOM 0 H THR A 10 -4.500 5.843 3.365 1.00 0.00 H new ATOM 0 HA THR A 10 -4.386 8.607 3.985 1.00 0.00 H new ATOM 0 HB THR A 10 -4.430 6.208 5.862 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.223 6.062 4.478 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.593 7.705 7.455 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.957 8.288 7.065 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.378 9.063 6.325 1.00 0.00 H new ATOM 155 N ILE A 11 -1.745 6.774 4.858 1.00 0.00 N ATOM 156 CA ILE A 11 -0.312 6.829 5.234 1.00 0.00 C ATOM 157 C ILE A 11 0.478 7.723 4.253 1.00 0.00 C ATOM 158 O ILE A 11 1.245 8.582 4.687 1.00 0.00 O ATOM 159 CB ILE A 11 0.316 5.373 5.310 1.00 0.00 C ATOM 160 CG1 ILE A 11 -0.254 4.603 6.549 1.00 0.00 C ATOM 161 CG2 ILE A 11 1.873 5.394 5.332 1.00 0.00 C ATOM 162 CD1 ILE A 11 0.132 3.128 6.648 1.00 0.00 C ATOM 0 H ILE A 11 -2.075 5.833 4.642 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.242 7.272 6.227 1.00 0.00 H new ATOM 0 HB ILE A 11 0.027 4.846 4.401 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.082 5.109 7.454 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.341 4.674 6.529 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.250 4.373 5.384 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.243 5.871 4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.217 5.953 6.202 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.316 2.694 7.542 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.229 2.598 5.767 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.217 3.039 6.706 1.00 0.00 H new ATOM 174 N ILE A 12 0.264 7.526 2.944 1.00 0.00 N ATOM 175 CA ILE A 12 0.893 8.340 1.881 1.00 0.00 C ATOM 176 C ILE A 12 0.536 9.832 2.058 1.00 0.00 C ATOM 177 O ILE A 12 1.415 10.709 1.993 1.00 0.00 O ATOM 178 CB ILE A 12 0.452 7.828 0.447 1.00 0.00 C ATOM 179 CG1 ILE A 12 1.029 6.400 0.168 1.00 0.00 C ATOM 180 CG2 ILE A 12 0.852 8.810 -0.678 1.00 0.00 C ATOM 181 CD1 ILE A 12 0.749 5.838 -1.216 1.00 0.00 C ATOM 0 H ILE A 12 -0.352 6.796 2.586 1.00 0.00 H new ATOM 0 HA ILE A 12 1.975 8.233 1.964 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.637 7.773 0.449 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.108 6.428 0.318 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.622 5.712 0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.527 8.413 -1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.376 9.775 -0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.935 8.935 -0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.193 4.846 -1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.328 5.769 -1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.181 6.496 -1.970 1.00 0.00 H new ATOM 193 N ALA A 13 -0.760 10.085 2.290 1.00 0.00 N ATOM 194 CA ALA A 13 -1.300 11.424 2.569 1.00 0.00 C ATOM 195 C ALA A 13 -0.591 12.115 3.750 1.00 0.00 C ATOM 196 O ALA A 13 -0.150 13.266 3.633 1.00 0.00 O ATOM 197 CB ALA A 13 -2.811 11.325 2.838 1.00 0.00 C ATOM 0 H ALA A 13 -1.473 9.355 2.289 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.118 12.041 1.689 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.210 12.318 3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.310 10.909 1.963 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.986 10.678 3.697 1.00 0.00 H new ATOM 203 N GLU A 14 -0.500 11.403 4.878 1.00 0.00 N ATOM 204 CA GLU A 14 0.058 11.938 6.134 1.00 0.00 C ATOM 205 C GLU A 14 1.595 12.073 6.099 1.00 0.00 C ATOM 206 O GLU A 14 2.145 12.966 6.746 1.00 0.00 O ATOM 207 CB GLU A 14 -0.388 11.050 7.321 1.00 0.00 C ATOM 208 CG GLU A 14 -1.907 11.103 7.621 1.00 0.00 C ATOM 209 CD GLU A 14 -2.392 12.496 8.074 1.00 0.00 C ATOM 210 OE1 GLU A 14 -2.300 12.801 9.285 1.00 0.00 O ATOM 211 OE2 GLU A 14 -2.853 13.296 7.228 1.00 0.00 O ATOM 0 H GLU A 14 -0.812 10.434 4.950 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.334 12.947 6.262 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.106 10.018 7.113 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.158 11.356 8.214 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.457 10.807 6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.143 10.374 8.396 1.00 0.00 H new ATOM 218 N THR A 15 2.276 11.185 5.354 1.00 0.00 N ATOM 219 CA THR A 15 3.744 11.207 5.247 1.00 0.00 C ATOM 220 C THR A 15 4.188 12.369 4.349 1.00 0.00 C ATOM 221 O THR A 15 4.922 13.260 4.788 1.00 0.00 O ATOM 222 CB THR A 15 4.318 9.850 4.700 1.00 0.00 C ATOM 223 OG1 THR A 15 3.917 8.773 5.567 1.00 0.00 O ATOM 224 CG2 THR A 15 5.859 9.860 4.611 1.00 0.00 C ATOM 0 H THR A 15 1.831 10.441 4.816 1.00 0.00 H new ATOM 0 HA THR A 15 4.144 11.348 6.251 1.00 0.00 H new ATOM 0 HB THR A 15 3.919 9.713 3.695 1.00 0.00 H new ATOM 0 HG1 THR A 15 2.976 8.555 5.404 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.208 8.901 4.228 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.180 10.657 3.940 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.280 10.029 5.602 1.00 0.00 H new ATOM 232 N CYS A 16 3.694 12.383 3.101 1.00 0.00 N ATOM 233 CA CYS A 16 4.156 13.326 2.072 1.00 0.00 C ATOM 234 C CYS A 16 3.429 14.685 2.131 1.00 0.00 C ATOM 235 O CYS A 16 3.818 15.607 1.405 1.00 0.00 O ATOM 236 CB CYS A 16 3.989 12.672 0.677 1.00 0.00 C ATOM 237 SG CYS A 16 5.012 11.192 0.442 1.00 0.00 S ATOM 0 H CYS A 16 2.967 11.744 2.779 1.00 0.00 H new ATOM 0 HA CYS A 16 5.208 13.541 2.263 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.942 12.406 0.532 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.241 13.404 -0.091 1.00 0.00 H new ATOM 0 HG CYS A 16 5.957 11.449 -0.413 1.00 0.00 H new ATOM 243 N ASP A 17 2.398 14.820 3.006 1.00 0.00 N ATOM 244 CA ASP A 17 1.575 16.047 3.120 1.00 0.00 C ATOM 245 C ASP A 17 0.884 16.340 1.767 1.00 0.00 C ATOM 246 O ASP A 17 1.232 17.282 1.043 1.00 0.00 O ATOM 247 CB ASP A 17 2.414 17.255 3.656 1.00 0.00 C ATOM 248 CG ASP A 17 1.583 18.524 3.941 1.00 0.00 C ATOM 249 OD1 ASP A 17 0.990 18.623 5.034 1.00 0.00 O ATOM 250 OD2 ASP A 17 1.521 19.428 3.084 1.00 0.00 O ATOM 0 H ASP A 17 2.117 14.081 3.650 1.00 0.00 H new ATOM 0 HA ASP A 17 0.791 15.885 3.860 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.921 16.953 4.572 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.188 17.497 2.928 1.00 0.00 H new ATOM 255 N ILE A 18 -0.034 15.430 1.401 1.00 0.00 N ATOM 256 CA ILE A 18 -0.852 15.503 0.172 1.00 0.00 C ATOM 257 C ILE A 18 -2.274 15.001 0.498 1.00 0.00 C ATOM 258 O ILE A 18 -2.436 14.224 1.443 1.00 0.00 O ATOM 259 CB ILE A 18 -0.225 14.664 -1.026 1.00 0.00 C ATOM 260 CG1 ILE A 18 0.165 13.219 -0.573 1.00 0.00 C ATOM 261 CG2 ILE A 18 0.983 15.400 -1.662 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.772 12.350 -1.671 1.00 0.00 C ATOM 0 H ILE A 18 -0.235 14.603 1.963 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.882 16.540 -0.161 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.994 14.570 -1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.876 13.290 0.250 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.724 12.722 -0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.387 14.799 -2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.658 16.365 -2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.754 15.553 -0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.011 11.367 -1.266 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.057 12.243 -2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.682 12.819 -2.045 1.00 0.00 H new ATOM 274 N PRO A 19 -3.339 15.476 -0.228 1.00 0.00 N ATOM 275 CA PRO A 19 -4.716 14.963 -0.032 1.00 0.00 C ATOM 276 C PRO A 19 -4.834 13.486 -0.473 1.00 0.00 C ATOM 277 O PRO A 19 -4.506 13.162 -1.612 1.00 0.00 O ATOM 278 CB PRO A 19 -5.590 15.897 -0.921 1.00 0.00 C ATOM 279 CG PRO A 19 -4.641 16.440 -1.952 1.00 0.00 C ATOM 280 CD PRO A 19 -3.298 16.557 -1.255 1.00 0.00 C ATOM 0 HA PRO A 19 -5.024 14.973 1.013 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.409 15.348 -1.386 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.037 16.699 -0.333 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.578 15.776 -2.814 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.976 17.409 -2.320 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.471 16.417 -1.952 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.167 17.538 -0.799 1.00 0.00 H new ATOM 288 N ARG A 20 -5.312 12.609 0.436 1.00 0.00 N ATOM 289 CA ARG A 20 -5.512 11.160 0.173 1.00 0.00 C ATOM 290 C ARG A 20 -6.373 10.899 -1.081 1.00 0.00 C ATOM 291 O ARG A 20 -6.190 9.890 -1.767 1.00 0.00 O ATOM 292 CB ARG A 20 -6.163 10.468 1.406 1.00 0.00 C ATOM 293 CG ARG A 20 -6.648 9.022 1.131 1.00 0.00 C ATOM 294 CD ARG A 20 -7.395 8.378 2.296 1.00 0.00 C ATOM 295 NE ARG A 20 -8.150 7.196 1.838 1.00 0.00 N ATOM 296 CZ ARG A 20 -8.892 6.402 2.602 1.00 0.00 C ATOM 297 NH1 ARG A 20 -8.827 6.454 3.917 1.00 0.00 N ATOM 298 NH2 ARG A 20 -9.659 5.506 2.023 1.00 0.00 N ATOM 0 H ARG A 20 -5.573 12.885 1.382 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.525 10.736 -0.011 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.442 10.450 2.223 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.009 11.067 1.742 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.299 9.030 0.257 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.786 8.403 0.881 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.687 8.086 3.072 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.077 9.102 2.742 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.097 6.968 0.845 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.196 7.115 4.371 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.407 5.833 4.481 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.676 5.430 1.006 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.237 4.886 2.591 1.00 0.00 H new ATOM 312 N GLU A 21 -7.277 11.834 -1.392 1.00 0.00 N ATOM 313 CA GLU A 21 -8.285 11.670 -2.459 1.00 0.00 C ATOM 314 C GLU A 21 -7.639 11.588 -3.866 1.00 0.00 C ATOM 315 O GLU A 21 -8.242 11.027 -4.788 1.00 0.00 O ATOM 316 CB GLU A 21 -9.308 12.836 -2.407 1.00 0.00 C ATOM 317 CG GLU A 21 -8.680 14.235 -2.538 1.00 0.00 C ATOM 318 CD GLU A 21 -9.713 15.372 -2.527 1.00 0.00 C ATOM 319 OE1 GLU A 21 -10.076 15.845 -1.432 1.00 0.00 O ATOM 320 OE2 GLU A 21 -10.172 15.792 -3.613 1.00 0.00 O ATOM 0 H GLU A 21 -7.335 12.732 -0.912 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.799 10.725 -2.282 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.036 12.701 -3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.855 12.783 -1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.975 14.387 -1.720 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.108 14.283 -3.465 1.00 0.00 H new ATOM 327 N THR A 22 -6.413 12.143 -4.024 1.00 0.00 N ATOM 328 CA THR A 22 -5.680 12.110 -5.309 1.00 0.00 C ATOM 329 C THR A 22 -4.817 10.821 -5.441 1.00 0.00 C ATOM 330 O THR A 22 -4.106 10.646 -6.439 1.00 0.00 O ATOM 331 CB THR A 22 -4.803 13.407 -5.509 1.00 0.00 C ATOM 332 OG1 THR A 22 -4.345 13.500 -6.864 1.00 0.00 O ATOM 333 CG2 THR A 22 -3.585 13.478 -4.571 1.00 0.00 C ATOM 0 H THR A 22 -5.912 12.619 -3.274 1.00 0.00 H new ATOM 0 HA THR A 22 -6.425 12.091 -6.105 1.00 0.00 H new ATOM 0 HB THR A 22 -5.457 14.244 -5.263 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.094 12.609 -7.186 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.029 14.395 -4.765 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.923 13.471 -3.535 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.939 12.618 -4.748 1.00 0.00 H new ATOM 341 N ILE A 23 -4.889 9.919 -4.437 1.00 0.00 N ATOM 342 CA ILE A 23 -4.204 8.617 -4.461 1.00 0.00 C ATOM 343 C ILE A 23 -5.256 7.534 -4.812 1.00 0.00 C ATOM 344 O ILE A 23 -5.986 7.057 -3.934 1.00 0.00 O ATOM 345 CB ILE A 23 -3.501 8.278 -3.068 1.00 0.00 C ATOM 346 CG1 ILE A 23 -2.331 9.262 -2.711 1.00 0.00 C ATOM 347 CG2 ILE A 23 -2.988 6.824 -3.024 1.00 0.00 C ATOM 348 CD1 ILE A 23 -2.740 10.620 -2.204 1.00 0.00 C ATOM 0 H ILE A 23 -5.427 10.079 -3.586 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.410 8.646 -5.208 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.279 8.404 -2.315 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.703 8.789 -1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.714 9.399 -3.599 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.516 6.634 -2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.825 6.139 -3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.260 6.671 -3.821 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.850 11.212 -1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.339 11.126 -2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.327 10.506 -1.293 1.00 0.00 H new ATOM 360 N THR A 24 -5.367 7.197 -6.109 1.00 0.00 N ATOM 361 CA THR A 24 -6.254 6.116 -6.591 1.00 0.00 C ATOM 362 C THR A 24 -5.480 4.772 -6.564 1.00 0.00 C ATOM 363 O THR A 24 -4.247 4.788 -6.445 1.00 0.00 O ATOM 364 CB THR A 24 -6.783 6.437 -8.037 1.00 0.00 C ATOM 365 OG1 THR A 24 -5.690 6.521 -8.958 1.00 0.00 O ATOM 366 CG2 THR A 24 -7.588 7.750 -8.073 1.00 0.00 C ATOM 0 H THR A 24 -4.847 7.663 -6.853 1.00 0.00 H new ATOM 0 HA THR A 24 -7.121 6.038 -5.936 1.00 0.00 H new ATOM 0 HB THR A 24 -7.447 5.623 -8.328 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.865 6.724 -8.469 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.936 7.936 -9.089 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.446 7.669 -7.405 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.953 8.575 -7.750 1.00 0.00 H new ATOM 374 N PRO A 25 -6.169 3.576 -6.642 1.00 0.00 N ATOM 375 CA PRO A 25 -5.475 2.261 -6.658 1.00 0.00 C ATOM 376 C PRO A 25 -4.550 2.077 -7.884 1.00 0.00 C ATOM 377 O PRO A 25 -3.627 1.266 -7.846 1.00 0.00 O ATOM 378 CB PRO A 25 -6.632 1.216 -6.644 1.00 0.00 C ATOM 379 CG PRO A 25 -7.819 1.978 -6.148 1.00 0.00 C ATOM 380 CD PRO A 25 -7.645 3.389 -6.674 1.00 0.00 C ATOM 0 HA PRO A 25 -4.802 2.156 -5.807 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.810 0.808 -7.639 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.399 0.375 -5.991 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.748 1.536 -6.510 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.864 1.968 -5.059 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.044 3.496 -7.683 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.158 4.119 -6.049 1.00 0.00 H new ATOM 388 N GLU A 26 -4.771 2.871 -8.950 1.00 0.00 N ATOM 389 CA GLU A 26 -3.970 2.787 -10.190 1.00 0.00 C ATOM 390 C GLU A 26 -2.831 3.832 -10.180 1.00 0.00 C ATOM 391 O GLU A 26 -2.102 3.963 -11.168 1.00 0.00 O ATOM 392 CB GLU A 26 -4.872 2.989 -11.441 1.00 0.00 C ATOM 393 CG GLU A 26 -5.539 4.376 -11.530 1.00 0.00 C ATOM 394 CD GLU A 26 -6.273 4.620 -12.860 1.00 0.00 C ATOM 395 OE1 GLU A 26 -7.471 4.283 -12.962 1.00 0.00 O ATOM 396 OE2 GLU A 26 -5.653 5.153 -13.809 1.00 0.00 O ATOM 0 H GLU A 26 -5.502 3.582 -8.978 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.526 1.792 -10.237 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.271 2.831 -12.336 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.650 2.225 -11.440 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.247 4.483 -10.708 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.778 5.145 -11.398 1.00 0.00 H new ATOM 403 N SER A 27 -2.686 4.576 -9.063 1.00 0.00 N ATOM 404 CA SER A 27 -1.647 5.613 -8.930 1.00 0.00 C ATOM 405 C SER A 27 -0.285 4.964 -8.698 1.00 0.00 C ATOM 406 O SER A 27 -0.145 4.071 -7.861 1.00 0.00 O ATOM 407 CB SER A 27 -1.960 6.589 -7.773 1.00 0.00 C ATOM 408 OG SER A 27 -3.158 7.291 -8.020 1.00 0.00 O ATOM 0 H SER A 27 -3.279 4.475 -8.239 1.00 0.00 H new ATOM 0 HA SER A 27 -1.630 6.183 -9.859 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.044 6.036 -6.837 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.138 7.295 -7.654 1.00 0.00 H new ATOM 0 HG SER A 27 -3.054 8.224 -7.739 1.00 0.00 H new ATOM 414 N HIS A 28 0.695 5.406 -9.475 1.00 0.00 N ATOM 415 CA HIS A 28 2.096 5.096 -9.248 1.00 0.00 C ATOM 416 C HIS A 28 2.635 6.126 -8.250 1.00 0.00 C ATOM 417 O HIS A 28 2.517 7.331 -8.499 1.00 0.00 O ATOM 418 CB HIS A 28 2.880 5.181 -10.567 1.00 0.00 C ATOM 419 CG HIS A 28 4.241 4.548 -10.491 1.00 0.00 C ATOM 420 ND1 HIS A 28 5.277 5.093 -9.772 1.00 0.00 N ATOM 421 CD2 HIS A 28 4.666 3.419 -11.068 1.00 0.00 C ATOM 422 CE1 HIS A 28 6.301 4.273 -9.944 1.00 0.00 C ATOM 423 NE2 HIS A 28 5.976 3.245 -10.723 1.00 0.00 N ATOM 0 H HIS A 28 0.535 5.997 -10.291 1.00 0.00 H new ATOM 0 HA HIS A 28 2.206 4.084 -8.858 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.305 4.696 -11.356 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.989 6.228 -10.850 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.079 2.763 -11.694 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.278 4.420 -9.507 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.585 2.478 -11.007 1.00 0.00 H new ATOM 431 N ALA A 29 3.172 5.658 -7.120 1.00 0.00 N ATOM 432 CA ALA A 29 3.774 6.508 -6.080 1.00 0.00 C ATOM 433 C ALA A 29 4.775 7.539 -6.653 1.00 0.00 C ATOM 434 O ALA A 29 4.735 8.712 -6.293 1.00 0.00 O ATOM 435 CB ALA A 29 4.443 5.618 -5.028 1.00 0.00 C ATOM 0 H ALA A 29 3.203 4.664 -6.895 1.00 0.00 H new ATOM 0 HA ALA A 29 2.976 7.090 -5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.891 6.242 -4.255 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.697 4.963 -4.578 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.218 5.015 -5.501 1.00 0.00 H new ATOM 441 N ILE A 30 5.597 7.113 -7.622 1.00 0.00 N ATOM 442 CA ILE A 30 6.698 7.945 -8.146 1.00 0.00 C ATOM 443 C ILE A 30 6.203 8.726 -9.378 1.00 0.00 C ATOM 444 O ILE A 30 6.280 9.952 -9.422 1.00 0.00 O ATOM 445 CB ILE A 30 7.960 7.070 -8.510 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.449 6.268 -7.258 1.00 0.00 C ATOM 447 CG2 ILE A 30 9.099 7.933 -9.115 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.666 5.382 -7.498 1.00 0.00 C ATOM 0 H ILE A 30 5.523 6.196 -8.062 1.00 0.00 H new ATOM 0 HA ILE A 30 7.005 8.647 -7.370 1.00 0.00 H new ATOM 0 HB ILE A 30 7.665 6.354 -9.277 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.683 6.974 -6.461 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.629 5.645 -6.901 1.00 0.00 H new ATOM 0 HG21 ILE A 30 9.951 7.296 -9.353 1.00 0.00 H new ATOM 0 HG22 ILE A 30 8.744 8.419 -10.024 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.403 8.691 -8.394 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.929 4.867 -6.574 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.435 4.647 -8.269 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.505 5.997 -7.823 1.00 0.00 H new ATOM 460 N ASP A 31 5.640 7.989 -10.349 1.00 0.00 N ATOM 461 CA ASP A 31 5.279 8.524 -11.683 1.00 0.00 C ATOM 462 C ASP A 31 4.066 9.479 -11.609 1.00 0.00 C ATOM 463 O ASP A 31 4.086 10.563 -12.210 1.00 0.00 O ATOM 464 CB ASP A 31 4.987 7.348 -12.659 1.00 0.00 C ATOM 465 CG ASP A 31 4.859 7.788 -14.129 1.00 0.00 C ATOM 466 OD1 ASP A 31 3.754 8.172 -14.555 1.00 0.00 O ATOM 467 OD2 ASP A 31 5.873 7.753 -14.867 1.00 0.00 O ATOM 0 H ASP A 31 5.419 7.000 -10.236 1.00 0.00 H new ATOM 0 HA ASP A 31 6.124 9.103 -12.055 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.786 6.611 -12.577 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.065 6.854 -12.354 1.00 0.00 H new ATOM 472 N ASP A 32 3.024 9.080 -10.858 1.00 0.00 N ATOM 473 CA ASP A 32 1.770 9.862 -10.739 1.00 0.00 C ATOM 474 C ASP A 32 1.870 10.857 -9.578 1.00 0.00 C ATOM 475 O ASP A 32 1.777 12.070 -9.784 1.00 0.00 O ATOM 476 CB ASP A 32 0.533 8.926 -10.538 1.00 0.00 C ATOM 477 CG ASP A 32 0.082 8.233 -11.836 1.00 0.00 C ATOM 478 OD1 ASP A 32 -0.588 8.887 -12.661 1.00 0.00 O ATOM 479 OD2 ASP A 32 0.376 7.037 -12.033 1.00 0.00 O ATOM 0 H ASP A 32 3.022 8.214 -10.319 1.00 0.00 H new ATOM 0 HA ASP A 32 1.631 10.412 -11.670 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.776 8.167 -9.794 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.296 9.510 -10.138 1.00 0.00 H new ATOM 484 N LEU A 33 2.083 10.329 -8.362 1.00 0.00 N ATOM 485 CA LEU A 33 2.031 11.111 -7.101 1.00 0.00 C ATOM 486 C LEU A 33 3.286 11.989 -6.885 1.00 0.00 C ATOM 487 O LEU A 33 3.286 12.859 -6.007 1.00 0.00 O ATOM 488 CB LEU A 33 1.819 10.140 -5.904 1.00 0.00 C ATOM 489 CG LEU A 33 0.553 9.232 -5.988 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.518 8.210 -4.828 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.746 10.078 -6.039 1.00 0.00 C ATOM 0 H LEU A 33 2.298 9.342 -8.218 1.00 0.00 H new ATOM 0 HA LEU A 33 1.190 11.801 -7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.698 9.501 -5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.762 10.728 -4.988 1.00 0.00 H new ATOM 0 HG LEU A 33 0.612 8.669 -6.919 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.376 7.592 -4.914 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.403 7.576 -4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.502 8.741 -3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.610 9.416 -6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.818 10.689 -5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.725 10.725 -6.916 1.00 0.00 H new ATOM 503 N GLY A 34 4.332 11.769 -7.712 1.00 0.00 N ATOM 504 CA GLY A 34 5.571 12.564 -7.654 1.00 0.00 C ATOM 505 C GLY A 34 6.350 12.388 -6.358 1.00 0.00 C ATOM 506 O GLY A 34 6.998 13.324 -5.877 1.00 0.00 O ATOM 0 H GLY A 34 4.339 11.044 -8.429 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.210 12.287 -8.492 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.322 13.618 -7.778 1.00 0.00 H new ATOM 510 N ILE A 35 6.281 11.183 -5.799 1.00 0.00 N ATOM 511 CA ILE A 35 6.955 10.825 -4.546 1.00 0.00 C ATOM 512 C ILE A 35 8.311 10.195 -4.886 1.00 0.00 C ATOM 513 O ILE A 35 8.368 9.224 -5.644 1.00 0.00 O ATOM 514 CB ILE A 35 6.060 9.818 -3.727 1.00 0.00 C ATOM 515 CG1 ILE A 35 4.685 10.478 -3.388 1.00 0.00 C ATOM 516 CG2 ILE A 35 6.770 9.299 -2.456 1.00 0.00 C ATOM 517 CD1 ILE A 35 3.684 9.562 -2.711 1.00 0.00 C ATOM 0 H ILE A 35 5.749 10.414 -6.206 1.00 0.00 H new ATOM 0 HA ILE A 35 7.112 11.713 -3.933 1.00 0.00 H new ATOM 0 HB ILE A 35 5.883 8.944 -4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.861 11.339 -2.743 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.243 10.856 -4.310 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.112 8.609 -1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.687 8.782 -2.737 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.012 10.140 -1.806 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.762 10.111 -2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.471 8.713 -3.360 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.098 9.203 -1.769 1.00 0.00 H new ATOM 529 N ASP A 36 9.401 10.785 -4.360 1.00 0.00 N ATOM 530 CA ASP A 36 10.768 10.246 -4.517 1.00 0.00 C ATOM 531 C ASP A 36 10.887 8.916 -3.756 1.00 0.00 C ATOM 532 O ASP A 36 10.117 8.657 -2.825 1.00 0.00 O ATOM 533 CB ASP A 36 11.820 11.272 -3.990 1.00 0.00 C ATOM 534 CG ASP A 36 13.280 10.953 -4.406 1.00 0.00 C ATOM 535 OD1 ASP A 36 13.930 10.106 -3.761 1.00 0.00 O ATOM 536 OD2 ASP A 36 13.777 11.551 -5.384 1.00 0.00 O ATOM 0 H ASP A 36 9.361 11.647 -3.815 1.00 0.00 H new ATOM 0 HA ASP A 36 10.964 10.070 -5.575 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.558 12.265 -4.356 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.763 11.308 -2.902 1.00 0.00 H new ATOM 541 N SER A 37 11.865 8.093 -4.157 1.00 0.00 N ATOM 542 CA SER A 37 12.129 6.792 -3.539 1.00 0.00 C ATOM 543 C SER A 37 12.466 6.930 -2.034 1.00 0.00 C ATOM 544 O SER A 37 12.165 6.020 -1.262 1.00 0.00 O ATOM 545 CB SER A 37 13.261 6.078 -4.299 1.00 0.00 C ATOM 546 OG SER A 37 12.941 5.965 -5.676 1.00 0.00 O ATOM 0 H SER A 37 12.498 8.315 -4.925 1.00 0.00 H new ATOM 0 HA SER A 37 11.223 6.190 -3.605 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.192 6.632 -4.180 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.423 5.087 -3.875 1.00 0.00 H new ATOM 0 HG SER A 37 13.671 5.510 -6.145 1.00 0.00 H new ATOM 552 N LEU A 38 13.030 8.100 -1.624 1.00 0.00 N ATOM 553 CA LEU A 38 13.386 8.370 -0.215 1.00 0.00 C ATOM 554 C LEU A 38 12.120 8.618 0.617 1.00 0.00 C ATOM 555 O LEU A 38 12.009 8.133 1.745 1.00 0.00 O ATOM 556 CB LEU A 38 14.420 9.548 -0.094 1.00 0.00 C ATOM 557 CG LEU A 38 13.973 11.024 -0.468 1.00 0.00 C ATOM 558 CD1 LEU A 38 13.300 11.762 0.715 1.00 0.00 C ATOM 559 CD2 LEU A 38 15.160 11.859 -1.018 1.00 0.00 C ATOM 0 H LEU A 38 13.246 8.870 -2.258 1.00 0.00 H new ATOM 0 HA LEU A 38 13.880 7.487 0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 38 14.775 9.566 0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 38 15.275 9.297 -0.722 1.00 0.00 H new ATOM 0 HG LEU A 38 13.226 10.921 -1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.015 12.767 0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.412 11.213 1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 38 13.999 11.826 1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.815 12.864 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 38 15.944 11.918 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.556 11.382 -1.915 1.00 0.00 H new ATOM 571 N ASP A 39 11.161 9.367 0.027 1.00 0.00 N ATOM 572 CA ASP A 39 9.848 9.640 0.650 1.00 0.00 C ATOM 573 C ASP A 39 9.046 8.340 0.750 1.00 0.00 C ATOM 574 O ASP A 39 8.345 8.120 1.736 1.00 0.00 O ATOM 575 CB ASP A 39 9.048 10.699 -0.160 1.00 0.00 C ATOM 576 CG ASP A 39 9.652 12.108 -0.107 1.00 0.00 C ATOM 577 OD1 ASP A 39 9.338 12.862 0.840 1.00 0.00 O ATOM 578 OD2 ASP A 39 10.435 12.476 -1.009 1.00 0.00 O ATOM 0 H ASP A 39 11.276 9.797 -0.891 1.00 0.00 H new ATOM 0 HA ASP A 39 10.019 10.042 1.649 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.989 10.378 -1.200 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.027 10.737 0.220 1.00 0.00 H new ATOM 583 N PHE A 40 9.195 7.471 -0.275 1.00 0.00 N ATOM 584 CA PHE A 40 8.524 6.169 -0.318 1.00 0.00 C ATOM 585 C PHE A 40 9.126 5.211 0.737 1.00 0.00 C ATOM 586 O PHE A 40 8.431 4.324 1.201 1.00 0.00 O ATOM 587 CB PHE A 40 8.590 5.543 -1.738 1.00 0.00 C ATOM 588 CG PHE A 40 7.656 4.336 -1.902 1.00 0.00 C ATOM 589 CD1 PHE A 40 6.299 4.519 -2.168 1.00 0.00 C ATOM 590 CD2 PHE A 40 8.123 3.028 -1.762 1.00 0.00 C ATOM 591 CE1 PHE A 40 5.448 3.439 -2.293 1.00 0.00 C ATOM 592 CE2 PHE A 40 7.267 1.949 -1.891 1.00 0.00 C ATOM 593 CZ PHE A 40 5.932 2.155 -2.158 1.00 0.00 C ATOM 0 H PHE A 40 9.782 7.659 -1.088 1.00 0.00 H new ATOM 0 HA PHE A 40 7.473 6.327 -0.078 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.329 6.301 -2.476 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.614 5.234 -1.946 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.908 5.520 -2.278 1.00 0.00 H new ATOM 0 HD2 PHE A 40 9.168 2.856 -1.550 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.400 3.600 -2.497 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.646 0.944 -1.782 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.265 1.312 -2.262 1.00 0.00 H new ATOM 603 N LEU A 41 10.422 5.394 1.101 1.00 0.00 N ATOM 604 CA LEU A 41 11.061 4.627 2.204 1.00 0.00 C ATOM 605 C LEU A 41 10.345 4.915 3.538 1.00 0.00 C ATOM 606 O LEU A 41 10.133 4.003 4.332 1.00 0.00 O ATOM 607 CB LEU A 41 12.571 4.964 2.349 1.00 0.00 C ATOM 608 CG LEU A 41 13.500 4.538 1.175 1.00 0.00 C ATOM 609 CD1 LEU A 41 14.951 5.003 1.417 1.00 0.00 C ATOM 610 CD2 LEU A 41 13.436 3.013 0.932 1.00 0.00 C ATOM 0 H LEU A 41 11.044 6.064 0.648 1.00 0.00 H new ATOM 0 HA LEU A 41 10.972 3.570 1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 41 12.667 6.041 2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.938 4.493 3.261 1.00 0.00 H new ATOM 0 HG LEU A 41 13.138 5.031 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.577 4.691 0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.975 6.089 1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.327 4.557 2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.096 2.748 0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.753 2.487 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.414 2.726 0.686 1.00 0.00 H new ATOM 622 N ASP A 42 9.978 6.200 3.746 1.00 0.00 N ATOM 623 CA ASP A 42 9.263 6.665 4.961 1.00 0.00 C ATOM 624 C ASP A 42 7.810 6.175 4.955 1.00 0.00 C ATOM 625 O ASP A 42 7.277 5.799 6.001 1.00 0.00 O ATOM 626 CB ASP A 42 9.307 8.209 5.066 1.00 0.00 C ATOM 627 CG ASP A 42 10.741 8.737 5.203 1.00 0.00 C ATOM 628 OD1 ASP A 42 11.349 8.558 6.276 1.00 0.00 O ATOM 629 OD2 ASP A 42 11.273 9.316 4.237 1.00 0.00 O ATOM 0 H ASP A 42 10.168 6.946 3.077 1.00 0.00 H new ATOM 0 HA ASP A 42 9.767 6.245 5.831 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.843 8.646 4.181 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.719 8.530 5.926 1.00 0.00 H new ATOM 634 N ILE A 43 7.181 6.190 3.763 1.00 0.00 N ATOM 635 CA ILE A 43 5.825 5.644 3.560 1.00 0.00 C ATOM 636 C ILE A 43 5.816 4.139 3.866 1.00 0.00 C ATOM 637 O ILE A 43 4.981 3.662 4.628 1.00 0.00 O ATOM 638 CB ILE A 43 5.316 5.880 2.082 1.00 0.00 C ATOM 639 CG1 ILE A 43 5.179 7.405 1.771 1.00 0.00 C ATOM 640 CG2 ILE A 43 3.978 5.137 1.809 1.00 0.00 C ATOM 641 CD1 ILE A 43 4.756 7.728 0.352 1.00 0.00 C ATOM 0 H ILE A 43 7.597 6.579 2.917 1.00 0.00 H new ATOM 0 HA ILE A 43 5.153 6.168 4.240 1.00 0.00 H new ATOM 0 HB ILE A 43 6.066 5.462 1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.453 7.838 2.459 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.135 7.889 1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.661 5.324 0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.120 4.066 1.956 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.214 5.499 2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.687 8.809 0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.492 7.330 -0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.784 7.278 0.151 1.00 0.00 H new ATOM 653 N ALA A 44 6.808 3.427 3.310 1.00 0.00 N ATOM 654 CA ALA A 44 6.899 1.959 3.376 1.00 0.00 C ATOM 655 C ALA A 44 7.237 1.510 4.801 1.00 0.00 C ATOM 656 O ALA A 44 6.804 0.456 5.237 1.00 0.00 O ATOM 657 CB ALA A 44 7.954 1.440 2.378 1.00 0.00 C ATOM 0 H ALA A 44 7.577 3.857 2.797 1.00 0.00 H new ATOM 0 HA ALA A 44 5.932 1.537 3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.009 0.353 2.439 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.673 1.733 1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.927 1.867 2.622 1.00 0.00 H new ATOM 663 N PHE A 45 8.050 2.327 5.498 1.00 0.00 N ATOM 664 CA PHE A 45 8.411 2.117 6.910 1.00 0.00 C ATOM 665 C PHE A 45 7.192 2.345 7.824 1.00 0.00 C ATOM 666 O PHE A 45 7.012 1.637 8.810 1.00 0.00 O ATOM 667 CB PHE A 45 9.583 3.060 7.293 1.00 0.00 C ATOM 668 CG PHE A 45 10.241 2.750 8.636 1.00 0.00 C ATOM 669 CD1 PHE A 45 10.991 1.587 8.807 1.00 0.00 C ATOM 670 CD2 PHE A 45 10.131 3.624 9.718 1.00 0.00 C ATOM 671 CE1 PHE A 45 11.602 1.309 10.014 1.00 0.00 C ATOM 672 CE2 PHE A 45 10.745 3.342 10.923 1.00 0.00 C ATOM 673 CZ PHE A 45 11.482 2.184 11.068 1.00 0.00 C ATOM 0 H PHE A 45 8.478 3.159 5.091 1.00 0.00 H new ATOM 0 HA PHE A 45 8.734 1.085 7.047 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.342 3.009 6.512 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.214 4.086 7.313 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.095 0.895 7.985 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.558 4.533 9.612 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.176 0.402 10.130 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.648 4.028 11.752 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.964 1.965 12.009 1.00 0.00 H new ATOM 683 N ALA A 46 6.356 3.336 7.474 1.00 0.00 N ATOM 684 CA ALA A 46 5.119 3.639 8.225 1.00 0.00 C ATOM 685 C ALA A 46 4.070 2.518 8.029 1.00 0.00 C ATOM 686 O ALA A 46 3.326 2.188 8.955 1.00 0.00 O ATOM 687 CB ALA A 46 4.564 5.005 7.803 1.00 0.00 C ATOM 0 H ALA A 46 6.513 3.946 6.672 1.00 0.00 H new ATOM 0 HA ALA A 46 5.356 3.684 9.288 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.653 5.216 8.363 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.304 5.778 8.009 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.339 4.993 6.736 1.00 0.00 H new ATOM 693 N ILE A 47 4.037 1.947 6.809 1.00 0.00 N ATOM 694 CA ILE A 47 3.195 0.774 6.463 1.00 0.00 C ATOM 695 C ILE A 47 3.688 -0.469 7.228 1.00 0.00 C ATOM 696 O ILE A 47 2.896 -1.222 7.798 1.00 0.00 O ATOM 697 CB ILE A 47 3.251 0.492 4.913 1.00 0.00 C ATOM 698 CG1 ILE A 47 2.601 1.653 4.101 1.00 0.00 C ATOM 699 CG2 ILE A 47 2.613 -0.869 4.549 1.00 0.00 C ATOM 700 CD1 ILE A 47 2.786 1.551 2.591 1.00 0.00 C ATOM 0 H ILE A 47 4.597 2.286 6.027 1.00 0.00 H new ATOM 0 HA ILE A 47 2.165 0.992 6.746 1.00 0.00 H new ATOM 0 HB ILE A 47 4.304 0.439 4.637 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.534 1.681 4.322 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.022 2.598 4.443 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.673 -1.023 3.472 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.148 -1.670 5.060 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.568 -0.875 4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.302 2.399 2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.850 1.556 2.354 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.338 0.624 2.231 1.00 0.00 H new ATOM 712 N ASP A 48 5.011 -0.645 7.197 1.00 0.00 N ATOM 713 CA ASP A 48 5.740 -1.752 7.843 1.00 0.00 C ATOM 714 C ASP A 48 5.331 -1.871 9.325 1.00 0.00 C ATOM 715 O ASP A 48 4.929 -2.938 9.799 1.00 0.00 O ATOM 716 CB ASP A 48 7.256 -1.444 7.695 1.00 0.00 C ATOM 717 CG ASP A 48 8.213 -2.529 8.200 1.00 0.00 C ATOM 718 OD1 ASP A 48 8.440 -2.612 9.426 1.00 0.00 O ATOM 719 OD2 ASP A 48 8.786 -3.270 7.366 1.00 0.00 O ATOM 0 H ASP A 48 5.631 -0.001 6.706 1.00 0.00 H new ATOM 0 HA ASP A 48 5.503 -2.707 7.374 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.468 -1.261 6.642 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.473 -0.519 8.229 1.00 0.00 H new ATOM 724 N LYS A 49 5.399 -0.730 10.017 1.00 0.00 N ATOM 725 CA LYS A 49 5.054 -0.611 11.441 1.00 0.00 C ATOM 726 C LYS A 49 3.534 -0.787 11.683 1.00 0.00 C ATOM 727 O LYS A 49 3.130 -1.538 12.578 1.00 0.00 O ATOM 728 CB LYS A 49 5.531 0.764 11.968 1.00 0.00 C ATOM 729 CG LYS A 49 7.058 0.981 11.902 1.00 0.00 C ATOM 730 CD LYS A 49 7.479 2.380 12.400 1.00 0.00 C ATOM 731 CE LYS A 49 7.046 2.649 13.854 1.00 0.00 C ATOM 732 NZ LYS A 49 7.438 4.000 14.309 1.00 0.00 N ATOM 0 H LYS A 49 5.699 0.151 9.600 1.00 0.00 H new ATOM 0 HA LYS A 49 5.559 -1.410 11.984 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.040 1.549 11.393 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.205 0.875 13.002 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.556 0.220 12.503 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.396 0.848 10.874 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.562 2.478 12.324 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.044 3.139 11.749 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.965 2.539 13.936 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.494 1.902 14.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.128 4.139 15.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.472 4.098 14.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.991 4.715 13.700 1.00 0.00 H new ATOM 746 N ALA A 50 2.709 -0.092 10.872 1.00 0.00 N ATOM 747 CA ALA A 50 1.231 -0.057 11.042 1.00 0.00 C ATOM 748 C ALA A 50 0.587 -1.446 10.879 1.00 0.00 C ATOM 749 O ALA A 50 -0.280 -1.839 11.665 1.00 0.00 O ATOM 750 CB ALA A 50 0.607 0.927 10.038 1.00 0.00 C ATOM 0 H ALA A 50 3.042 0.461 10.082 1.00 0.00 H new ATOM 0 HA ALA A 50 1.034 0.277 12.061 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.475 0.945 10.171 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.010 1.925 10.208 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.843 0.609 9.022 1.00 0.00 H new ATOM 756 N PHE A 51 1.012 -2.168 9.833 1.00 0.00 N ATOM 757 CA PHE A 51 0.499 -3.512 9.508 1.00 0.00 C ATOM 758 C PHE A 51 1.299 -4.605 10.238 1.00 0.00 C ATOM 759 O PHE A 51 0.962 -5.783 10.125 1.00 0.00 O ATOM 760 CB PHE A 51 0.531 -3.740 7.973 1.00 0.00 C ATOM 761 CG PHE A 51 -0.488 -2.904 7.189 1.00 0.00 C ATOM 762 CD1 PHE A 51 -0.191 -1.611 6.758 1.00 0.00 C ATOM 763 CD2 PHE A 51 -1.745 -3.424 6.878 1.00 0.00 C ATOM 764 CE1 PHE A 51 -1.114 -0.874 6.040 1.00 0.00 C ATOM 765 CE2 PHE A 51 -2.665 -2.690 6.156 1.00 0.00 C ATOM 766 CZ PHE A 51 -2.348 -1.414 5.737 1.00 0.00 C ATOM 0 H PHE A 51 1.725 -1.837 9.183 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.534 -3.575 9.850 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.531 -3.512 7.604 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.350 -4.796 7.770 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.772 -1.180 6.988 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.003 -4.419 7.208 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.869 0.127 5.715 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.630 -3.113 5.920 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.065 -0.838 5.172 1.00 0.00 H new ATOM 776 N GLY A 52 2.372 -4.205 10.966 1.00 0.00 N ATOM 777 CA GLY A 52 3.172 -5.132 11.789 1.00 0.00 C ATOM 778 C GLY A 52 3.901 -6.200 10.970 1.00 0.00 C ATOM 779 O GLY A 52 4.137 -7.316 11.446 1.00 0.00 O ATOM 0 H GLY A 52 2.700 -3.240 10.996 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.904 -4.560 12.359 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.518 -5.622 12.510 1.00 0.00 H new ATOM 783 N ILE A 53 4.258 -5.837 9.735 1.00 0.00 N ATOM 784 CA ILE A 53 4.889 -6.734 8.753 1.00 0.00 C ATOM 785 C ILE A 53 6.257 -6.191 8.368 1.00 0.00 C ATOM 786 O ILE A 53 6.561 -5.032 8.633 1.00 0.00 O ATOM 787 CB ILE A 53 4.006 -6.867 7.454 1.00 0.00 C ATOM 788 CG1 ILE A 53 3.744 -5.461 6.808 1.00 0.00 C ATOM 789 CG2 ILE A 53 2.674 -7.587 7.768 1.00 0.00 C ATOM 790 CD1 ILE A 53 3.068 -5.506 5.456 1.00 0.00 C ATOM 0 H ILE A 53 4.115 -4.892 9.379 1.00 0.00 H new ATOM 0 HA ILE A 53 4.989 -7.718 9.211 1.00 0.00 H new ATOM 0 HB ILE A 53 4.555 -7.471 6.732 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.128 -4.872 7.488 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.696 -4.939 6.707 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.081 -7.668 6.857 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.882 -8.584 8.155 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.119 -7.017 8.513 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.927 -4.491 5.086 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.690 -6.064 4.756 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.099 -5.996 5.550 1.00 0.00 H new ATOM 802 N LYS A 54 7.093 -7.037 7.764 1.00 0.00 N ATOM 803 CA LYS A 54 8.278 -6.574 7.048 1.00 0.00 C ATOM 804 C LYS A 54 7.943 -6.522 5.556 1.00 0.00 C ATOM 805 O LYS A 54 7.461 -7.504 4.984 1.00 0.00 O ATOM 806 CB LYS A 54 9.556 -7.429 7.395 1.00 0.00 C ATOM 807 CG LYS A 54 9.536 -8.958 7.097 1.00 0.00 C ATOM 808 CD LYS A 54 9.877 -9.337 5.626 1.00 0.00 C ATOM 809 CE LYS A 54 11.200 -8.728 5.112 1.00 0.00 C ATOM 810 NZ LYS A 54 12.369 -9.088 5.958 1.00 0.00 N ATOM 0 H LYS A 54 6.969 -8.049 7.758 1.00 0.00 H new ATOM 0 HA LYS A 54 8.546 -5.568 7.370 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.399 -6.998 6.855 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.760 -7.302 8.458 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.246 -9.453 7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.548 -9.349 7.339 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.933 -10.423 5.545 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.063 -9.010 4.979 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.378 -9.067 4.091 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.105 -7.643 5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.228 -8.652 5.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.216 -8.742 6.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.481 -10.122 5.973 1.00 0.00 H new ATOM 824 N LEU A 55 8.112 -5.339 4.949 1.00 0.00 N ATOM 825 CA LEU A 55 8.013 -5.193 3.493 1.00 0.00 C ATOM 826 C LEU A 55 9.322 -5.691 2.854 1.00 0.00 C ATOM 827 O LEU A 55 10.400 -5.393 3.374 1.00 0.00 O ATOM 828 CB LEU A 55 7.722 -3.720 3.084 1.00 0.00 C ATOM 829 CG LEU A 55 6.282 -3.189 3.409 1.00 0.00 C ATOM 830 CD1 LEU A 55 6.092 -1.735 2.939 1.00 0.00 C ATOM 831 CD2 LEU A 55 5.193 -4.102 2.800 1.00 0.00 C ATOM 0 H LEU A 55 8.318 -4.471 5.444 1.00 0.00 H new ATOM 0 HA LEU A 55 7.177 -5.792 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.447 -3.075 3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.891 -3.621 2.012 1.00 0.00 H new ATOM 0 HG LEU A 55 6.174 -3.207 4.493 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.083 -1.403 3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.816 -1.093 3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.243 -1.678 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.207 -3.705 3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.312 -4.138 1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.291 -5.108 3.209 1.00 0.00 H new ATOM 843 N PRO A 56 9.259 -6.495 1.742 1.00 0.00 N ATOM 844 CA PRO A 56 10.447 -6.866 0.938 1.00 0.00 C ATOM 845 C PRO A 56 10.860 -5.721 -0.015 1.00 0.00 C ATOM 846 O PRO A 56 11.203 -5.974 -1.161 1.00 0.00 O ATOM 847 CB PRO A 56 9.978 -8.145 0.156 1.00 0.00 C ATOM 848 CG PRO A 56 8.595 -8.456 0.663 1.00 0.00 C ATOM 849 CD PRO A 56 8.050 -7.157 1.207 1.00 0.00 C ATOM 0 HA PRO A 56 11.332 -7.054 1.545 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.968 -7.964 -0.919 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.655 -8.981 0.332 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.963 -8.840 -0.138 1.00 0.00 H new ATOM 0 HG3 PRO A 56 8.627 -9.221 1.439 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.573 -6.561 0.429 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.303 -7.325 1.983 1.00 0.00 H new ATOM 857 N LEU A 57 10.869 -4.470 0.506 1.00 0.00 N ATOM 858 CA LEU A 57 11.200 -3.237 -0.263 1.00 0.00 C ATOM 859 C LEU A 57 12.610 -3.371 -0.886 1.00 0.00 C ATOM 860 O LEU A 57 12.844 -2.950 -2.026 1.00 0.00 O ATOM 861 CB LEU A 57 11.095 -1.994 0.701 1.00 0.00 C ATOM 862 CG LEU A 57 10.936 -0.557 0.075 1.00 0.00 C ATOM 863 CD1 LEU A 57 12.210 -0.059 -0.635 1.00 0.00 C ATOM 864 CD2 LEU A 57 9.719 -0.492 -0.865 1.00 0.00 C ATOM 0 H LEU A 57 10.645 -4.283 1.483 1.00 0.00 H new ATOM 0 HA LEU A 57 10.496 -3.095 -1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.245 -2.161 1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.988 -1.985 1.325 1.00 0.00 H new ATOM 0 HG LEU A 57 10.766 0.121 0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.033 0.936 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 57 13.032 -0.017 0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.467 -0.743 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.635 0.512 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.845 -1.212 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.814 -0.730 -0.306 1.00 0.00 H new ATOM 876 N GLU A 58 13.517 -3.985 -0.102 1.00 0.00 N ATOM 877 CA GLU A 58 14.881 -4.345 -0.529 1.00 0.00 C ATOM 878 C GLU A 58 14.851 -5.192 -1.825 1.00 0.00 C ATOM 879 O GLU A 58 15.492 -4.846 -2.819 1.00 0.00 O ATOM 880 CB GLU A 58 15.602 -5.106 0.639 1.00 0.00 C ATOM 881 CG GLU A 58 14.861 -6.367 1.152 1.00 0.00 C ATOM 882 CD GLU A 58 15.431 -6.946 2.458 1.00 0.00 C ATOM 883 OE1 GLU A 58 16.458 -7.655 2.411 1.00 0.00 O ATOM 884 OE2 GLU A 58 14.846 -6.696 3.539 1.00 0.00 O ATOM 0 H GLU A 58 13.318 -4.249 0.863 1.00 0.00 H new ATOM 0 HA GLU A 58 15.440 -3.437 -0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 58 16.597 -5.399 0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 58 15.737 -4.417 1.473 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.810 -6.120 1.305 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.898 -7.136 0.380 1.00 0.00 H new ATOM 891 N LYS A 59 14.038 -6.266 -1.802 1.00 0.00 N ATOM 892 CA LYS A 59 13.910 -7.240 -2.897 1.00 0.00 C ATOM 893 C LYS A 59 13.285 -6.589 -4.138 1.00 0.00 C ATOM 894 O LYS A 59 13.725 -6.834 -5.259 1.00 0.00 O ATOM 895 CB LYS A 59 13.027 -8.419 -2.414 1.00 0.00 C ATOM 896 CG LYS A 59 12.829 -9.561 -3.431 1.00 0.00 C ATOM 897 CD LYS A 59 14.124 -10.360 -3.694 1.00 0.00 C ATOM 898 CE LYS A 59 13.917 -11.498 -4.700 1.00 0.00 C ATOM 899 NZ LYS A 59 15.066 -12.428 -4.724 1.00 0.00 N ATOM 0 H LYS A 59 13.441 -6.483 -1.004 1.00 0.00 H new ATOM 0 HA LYS A 59 14.900 -7.603 -3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.470 -8.835 -1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.048 -8.027 -2.139 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.058 -10.238 -3.064 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.467 -9.145 -4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.894 -9.685 -4.067 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.490 -10.772 -2.754 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.011 -12.047 -4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.767 -11.080 -5.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.887 -13.183 -5.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.927 -11.909 -4.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.193 -12.847 -3.781 1.00 0.00 H new ATOM 913 N TRP A 60 12.264 -5.747 -3.899 1.00 0.00 N ATOM 914 CA TRP A 60 11.503 -5.044 -4.954 1.00 0.00 C ATOM 915 C TRP A 60 12.434 -4.147 -5.785 1.00 0.00 C ATOM 916 O TRP A 60 12.391 -4.153 -7.021 1.00 0.00 O ATOM 917 CB TRP A 60 10.381 -4.190 -4.307 1.00 0.00 C ATOM 918 CG TRP A 60 9.325 -4.975 -3.544 1.00 0.00 C ATOM 919 CD1 TRP A 60 9.150 -6.335 -3.507 1.00 0.00 C ATOM 920 CD2 TRP A 60 8.282 -4.423 -2.726 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.078 -6.646 -2.715 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.529 -5.496 -2.230 1.00 0.00 C ATOM 923 CE3 TRP A 60 7.914 -3.124 -2.369 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.432 -5.317 -1.395 1.00 0.00 C ATOM 925 CZ3 TRP A 60 6.825 -2.945 -1.540 1.00 0.00 C ATOM 926 CH2 TRP A 60 6.100 -4.038 -1.055 1.00 0.00 C ATOM 0 H TRP A 60 11.938 -5.531 -2.957 1.00 0.00 H new ATOM 0 HA TRP A 60 11.056 -5.785 -5.617 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.840 -3.473 -3.626 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.887 -3.615 -5.090 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.767 -7.054 -4.026 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.743 -7.589 -2.519 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.472 -2.275 -2.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 5.864 -6.159 -1.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 6.528 -1.945 -1.261 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.260 -3.866 -0.398 1.00 0.00 H new ATOM 937 N THR A 61 13.293 -3.412 -5.062 1.00 0.00 N ATOM 938 CA THR A 61 14.303 -2.529 -5.649 1.00 0.00 C ATOM 939 C THR A 61 15.330 -3.338 -6.469 1.00 0.00 C ATOM 940 O THR A 61 15.721 -2.913 -7.561 1.00 0.00 O ATOM 941 CB THR A 61 15.016 -1.699 -4.536 1.00 0.00 C ATOM 942 OG1 THR A 61 14.035 -0.916 -3.814 1.00 0.00 O ATOM 943 CG2 THR A 61 16.104 -0.764 -5.106 1.00 0.00 C ATOM 0 H THR A 61 13.303 -3.417 -4.042 1.00 0.00 H new ATOM 0 HA THR A 61 13.801 -1.838 -6.326 1.00 0.00 H new ATOM 0 HB THR A 61 15.509 -2.404 -3.866 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.573 -1.488 -3.166 1.00 0.00 H new ATOM 0 HG21 THR A 61 16.570 -0.209 -4.292 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.860 -1.357 -5.620 1.00 0.00 H new ATOM 0 HG23 THR A 61 15.651 -0.065 -5.809 1.00 0.00 H new ATOM 951 N GLN A 62 15.712 -4.533 -5.958 1.00 0.00 N ATOM 952 CA GLN A 62 16.688 -5.424 -6.624 1.00 0.00 C ATOM 953 C GLN A 62 16.129 -5.940 -7.954 1.00 0.00 C ATOM 954 O GLN A 62 16.870 -6.071 -8.917 1.00 0.00 O ATOM 955 CB GLN A 62 17.041 -6.626 -5.710 1.00 0.00 C ATOM 956 CG GLN A 62 17.801 -6.256 -4.423 1.00 0.00 C ATOM 957 CD GLN A 62 17.963 -7.406 -3.421 1.00 0.00 C ATOM 958 OE1 GLN A 62 17.993 -7.183 -2.210 1.00 0.00 O ATOM 959 NE2 GLN A 62 18.096 -8.631 -3.908 1.00 0.00 N ATOM 0 H GLN A 62 15.354 -4.903 -5.078 1.00 0.00 H new ATOM 0 HA GLN A 62 17.591 -4.846 -6.818 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.119 -7.139 -5.436 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.643 -7.334 -6.280 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.790 -5.887 -4.695 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.278 -5.435 -3.932 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.067 -8.785 -4.916 1.00 0.00 H new ATOM 0 HE22 GLN A 62 18.227 -9.420 -3.275 1.00 0.00 H new ATOM 968 N GLU A 63 14.819 -6.267 -7.972 1.00 0.00 N ATOM 969 CA GLU A 63 14.109 -6.697 -9.194 1.00 0.00 C ATOM 970 C GLU A 63 14.238 -5.649 -10.303 1.00 0.00 C ATOM 971 O GLU A 63 14.579 -5.977 -11.435 1.00 0.00 O ATOM 972 CB GLU A 63 12.610 -6.951 -8.912 1.00 0.00 C ATOM 973 CG GLU A 63 12.319 -8.044 -7.875 1.00 0.00 C ATOM 974 CD GLU A 63 12.887 -9.420 -8.259 1.00 0.00 C ATOM 975 OE1 GLU A 63 12.267 -10.112 -9.096 1.00 0.00 O ATOM 976 OE2 GLU A 63 13.939 -9.825 -7.717 1.00 0.00 O ATOM 0 H GLU A 63 14.226 -6.240 -7.142 1.00 0.00 H new ATOM 0 HA GLU A 63 14.573 -7.627 -9.521 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.157 -6.020 -8.572 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.121 -7.220 -9.848 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.736 -7.743 -6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.241 -8.129 -7.741 1.00 0.00 H new ATOM 983 N VAL A 64 13.973 -4.384 -9.947 1.00 0.00 N ATOM 984 CA VAL A 64 14.030 -3.270 -10.913 1.00 0.00 C ATOM 985 C VAL A 64 15.492 -3.059 -11.401 1.00 0.00 C ATOM 986 O VAL A 64 15.729 -2.835 -12.592 1.00 0.00 O ATOM 987 CB VAL A 64 13.447 -1.942 -10.310 1.00 0.00 C ATOM 988 CG1 VAL A 64 13.343 -0.844 -11.397 1.00 0.00 C ATOM 989 CG2 VAL A 64 12.073 -2.185 -9.637 1.00 0.00 C ATOM 0 H VAL A 64 13.717 -4.104 -9.000 1.00 0.00 H new ATOM 0 HA VAL A 64 13.406 -3.536 -11.766 1.00 0.00 H new ATOM 0 HB VAL A 64 14.136 -1.595 -9.540 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.937 0.067 -10.957 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.333 -0.640 -11.804 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.685 -1.185 -12.197 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.696 -1.247 -9.230 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.369 -2.569 -10.375 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.186 -2.911 -8.832 1.00 0.00 H new ATOM 999 N ASN A 65 16.452 -3.149 -10.452 1.00 0.00 N ATOM 1000 CA ASN A 65 17.906 -3.036 -10.729 1.00 0.00 C ATOM 1001 C ASN A 65 18.388 -4.124 -11.710 1.00 0.00 C ATOM 1002 O ASN A 65 19.157 -3.833 -12.627 1.00 0.00 O ATOM 1003 CB ASN A 65 18.733 -3.092 -9.408 1.00 0.00 C ATOM 1004 CG ASN A 65 18.561 -1.859 -8.520 1.00 0.00 C ATOM 1005 OD1 ASN A 65 18.338 -0.748 -9.005 1.00 0.00 O ATOM 1006 ND2 ASN A 65 18.667 -2.046 -7.212 1.00 0.00 N ATOM 0 H ASN A 65 16.240 -3.303 -9.466 1.00 0.00 H new ATOM 0 HA ASN A 65 18.068 -2.067 -11.200 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.440 -3.978 -8.844 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.788 -3.206 -9.655 1.00 0.00 H new ATOM 0 HD21 ASN A 65 18.563 -1.257 -6.574 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.852 -2.979 -6.844 1.00 0.00 H new ATOM 1013 N ASP A 66 17.937 -5.376 -11.514 1.00 0.00 N ATOM 1014 CA ASP A 66 18.292 -6.513 -12.398 1.00 0.00 C ATOM 1015 C ASP A 66 17.404 -6.585 -13.663 1.00 0.00 C ATOM 1016 O ASP A 66 17.531 -7.540 -14.440 1.00 0.00 O ATOM 1017 CB ASP A 66 18.198 -7.859 -11.611 1.00 0.00 C ATOM 1018 CG ASP A 66 19.208 -7.989 -10.452 1.00 0.00 C ATOM 1019 OD1 ASP A 66 20.433 -7.941 -10.711 1.00 0.00 O ATOM 1020 OD2 ASP A 66 18.788 -8.180 -9.290 1.00 0.00 O ATOM 0 H ASP A 66 17.319 -5.633 -10.744 1.00 0.00 H new ATOM 0 HA ASP A 66 19.317 -6.347 -12.729 1.00 0.00 H new ATOM 0 HB2 ASP A 66 17.189 -7.963 -11.212 1.00 0.00 H new ATOM 0 HB3 ASP A 66 18.352 -8.684 -12.306 1.00 0.00 H new ATOM 1025 N GLY A 67 16.531 -5.576 -13.882 1.00 0.00 N ATOM 1026 CA GLY A 67 15.633 -5.551 -15.047 1.00 0.00 C ATOM 1027 C GLY A 67 14.595 -6.682 -15.075 1.00 0.00 C ATOM 1028 O GLY A 67 14.029 -6.981 -16.129 1.00 0.00 O ATOM 0 H GLY A 67 16.433 -4.770 -13.264 1.00 0.00 H new ATOM 0 HA2 GLY A 67 15.110 -4.595 -15.067 1.00 0.00 H new ATOM 0 HA3 GLY A 67 16.234 -5.604 -15.955 1.00 0.00 H new ATOM 1032 N LYS A 68 14.347 -7.294 -13.904 1.00 0.00 N ATOM 1033 CA LYS A 68 13.360 -8.380 -13.734 1.00 0.00 C ATOM 1034 C LYS A 68 11.955 -7.770 -13.730 1.00 0.00 C ATOM 1035 O LYS A 68 11.102 -8.124 -14.550 1.00 0.00 O ATOM 1036 CB LYS A 68 13.619 -9.147 -12.407 1.00 0.00 C ATOM 1037 CG LYS A 68 14.998 -9.825 -12.322 1.00 0.00 C ATOM 1038 CD LYS A 68 15.202 -10.555 -10.976 1.00 0.00 C ATOM 1039 CE LYS A 68 16.556 -11.267 -10.884 1.00 0.00 C ATOM 1040 NZ LYS A 68 16.695 -12.025 -9.622 1.00 0.00 N ATOM 0 H LYS A 68 14.829 -7.048 -13.040 1.00 0.00 H new ATOM 0 HA LYS A 68 13.452 -9.090 -14.556 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.518 -8.451 -11.574 1.00 0.00 H new ATOM 0 HB3 LYS A 68 12.846 -9.906 -12.284 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.103 -10.537 -13.140 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.779 -9.075 -12.450 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.119 -9.835 -10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.403 -11.284 -10.839 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.668 -11.946 -11.730 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.358 -10.533 -10.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.624 -12.492 -9.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.614 -11.374 -8.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.945 -12.743 -9.564 1.00 0.00 H new ATOM 1054 N ALA A 69 11.728 -6.865 -12.763 1.00 0.00 N ATOM 1055 CA ALA A 69 10.503 -6.067 -12.677 1.00 0.00 C ATOM 1056 C ALA A 69 10.758 -4.618 -13.085 1.00 0.00 C ATOM 1057 O ALA A 69 11.899 -4.188 -13.298 1.00 0.00 O ATOM 1058 CB ALA A 69 9.925 -6.132 -11.243 1.00 0.00 C ATOM 0 H ALA A 69 12.396 -6.669 -12.017 1.00 0.00 H new ATOM 0 HA ALA A 69 9.775 -6.486 -13.372 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.014 -5.535 -11.190 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.696 -7.167 -10.990 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.657 -5.740 -10.537 1.00 0.00 H new ATOM 1064 N THR A 70 9.653 -3.889 -13.187 1.00 0.00 N ATOM 1065 CA THR A 70 9.627 -2.435 -13.355 1.00 0.00 C ATOM 1066 C THR A 70 9.162 -1.816 -12.027 1.00 0.00 C ATOM 1067 O THR A 70 8.748 -2.552 -11.110 1.00 0.00 O ATOM 1068 CB THR A 70 8.682 -2.023 -14.533 1.00 0.00 C ATOM 1069 OG1 THR A 70 7.369 -2.562 -14.319 1.00 0.00 O ATOM 1070 CG2 THR A 70 9.219 -2.521 -15.887 1.00 0.00 C ATOM 0 H THR A 70 8.721 -4.302 -13.155 1.00 0.00 H new ATOM 0 HA THR A 70 10.622 -2.068 -13.608 1.00 0.00 H new ATOM 0 HB THR A 70 8.639 -0.934 -14.558 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.783 -2.299 -15.059 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.538 -2.217 -16.682 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.204 -2.091 -16.068 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.296 -3.608 -15.870 1.00 0.00 H new ATOM 1078 N THR A 71 9.250 -0.479 -11.905 1.00 0.00 N ATOM 1079 CA THR A 71 8.869 0.220 -10.662 1.00 0.00 C ATOM 1080 C THR A 71 7.379 0.007 -10.354 1.00 0.00 C ATOM 1081 O THR A 71 7.041 -0.362 -9.239 1.00 0.00 O ATOM 1082 CB THR A 71 9.194 1.746 -10.713 1.00 0.00 C ATOM 1083 OG1 THR A 71 8.582 2.326 -11.875 1.00 0.00 O ATOM 1084 CG2 THR A 71 10.712 2.006 -10.735 1.00 0.00 C ATOM 0 H THR A 71 9.580 0.137 -12.648 1.00 0.00 H new ATOM 0 HA THR A 71 9.467 -0.214 -9.861 1.00 0.00 H new ATOM 0 HB THR A 71 8.793 2.208 -9.811 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.784 3.284 -11.907 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.897 3.080 -10.771 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.166 1.589 -9.836 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.149 1.533 -11.614 1.00 0.00 H new ATOM 1092 N GLU A 72 6.515 0.168 -11.382 1.00 0.00 N ATOM 1093 CA GLU A 72 5.040 0.061 -11.240 1.00 0.00 C ATOM 1094 C GLU A 72 4.596 -1.252 -10.576 1.00 0.00 C ATOM 1095 O GLU A 72 3.659 -1.262 -9.757 1.00 0.00 O ATOM 1096 CB GLU A 72 4.334 0.233 -12.622 1.00 0.00 C ATOM 1097 CG GLU A 72 4.653 -0.849 -13.676 1.00 0.00 C ATOM 1098 CD GLU A 72 3.794 -0.731 -14.945 1.00 0.00 C ATOM 1099 OE1 GLU A 72 4.084 0.135 -15.797 1.00 0.00 O ATOM 1100 OE2 GLU A 72 2.832 -1.516 -15.104 1.00 0.00 O ATOM 0 H GLU A 72 6.818 0.376 -12.334 1.00 0.00 H new ATOM 0 HA GLU A 72 4.736 0.872 -10.578 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.256 0.249 -12.459 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.609 1.205 -13.031 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.706 -0.781 -13.950 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.502 -1.834 -13.233 1.00 0.00 H new ATOM 1107 N GLN A 73 5.324 -2.330 -10.905 1.00 0.00 N ATOM 1108 CA GLN A 73 5.029 -3.701 -10.462 1.00 0.00 C ATOM 1109 C GLN A 73 4.980 -3.796 -8.916 1.00 0.00 C ATOM 1110 O GLN A 73 4.297 -4.661 -8.377 1.00 0.00 O ATOM 1111 CB GLN A 73 6.078 -4.678 -11.107 1.00 0.00 C ATOM 1112 CG GLN A 73 5.580 -6.122 -11.390 1.00 0.00 C ATOM 1113 CD GLN A 73 5.689 -7.083 -10.208 1.00 0.00 C ATOM 1114 OE1 GLN A 73 4.771 -7.210 -9.401 1.00 0.00 O ATOM 1115 NE2 GLN A 73 6.816 -7.766 -10.107 1.00 0.00 N ATOM 0 H GLN A 73 6.151 -2.272 -11.499 1.00 0.00 H new ATOM 0 HA GLN A 73 4.036 -3.997 -10.802 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.421 -4.243 -12.046 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.944 -4.736 -10.448 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.538 -6.076 -11.707 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.150 -6.530 -12.225 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.556 -7.634 -10.796 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.946 -8.425 -9.340 1.00 0.00 H new ATOM 1124 N TYR A 74 5.692 -2.890 -8.213 1.00 0.00 N ATOM 1125 CA TYR A 74 5.672 -2.825 -6.727 1.00 0.00 C ATOM 1126 C TYR A 74 5.381 -1.409 -6.183 1.00 0.00 C ATOM 1127 O TYR A 74 5.196 -1.249 -4.969 1.00 0.00 O ATOM 1128 CB TYR A 74 7.018 -3.349 -6.167 1.00 0.00 C ATOM 1129 CG TYR A 74 7.261 -4.834 -6.461 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.428 -5.811 -5.901 1.00 0.00 C ATOM 1131 CD2 TYR A 74 8.298 -5.265 -7.298 1.00 0.00 C ATOM 1132 CE1 TYR A 74 6.620 -7.152 -6.162 1.00 0.00 C ATOM 1133 CE2 TYR A 74 8.488 -6.607 -7.562 1.00 0.00 C ATOM 1134 CZ TYR A 74 7.646 -7.546 -6.989 1.00 0.00 C ATOM 1135 OH TYR A 74 7.823 -8.888 -7.264 1.00 0.00 O ATOM 0 H TYR A 74 6.292 -2.189 -8.648 1.00 0.00 H new ATOM 0 HA TYR A 74 4.851 -3.458 -6.390 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.833 -2.764 -6.593 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.041 -3.191 -5.089 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.619 -5.509 -5.252 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.959 -4.537 -7.744 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.967 -7.889 -5.719 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.290 -6.923 -8.213 1.00 0.00 H new ATOM 0 HH TYR A 74 8.589 -9.001 -7.864 1.00 0.00 H new ATOM 1145 N PHE A 75 5.333 -0.385 -7.059 1.00 0.00 N ATOM 1146 CA PHE A 75 5.174 1.032 -6.646 1.00 0.00 C ATOM 1147 C PHE A 75 3.839 1.618 -7.158 1.00 0.00 C ATOM 1148 O PHE A 75 3.669 2.835 -7.171 1.00 0.00 O ATOM 1149 CB PHE A 75 6.384 1.887 -7.141 1.00 0.00 C ATOM 1150 CG PHE A 75 7.722 1.624 -6.417 1.00 0.00 C ATOM 1151 CD1 PHE A 75 8.443 0.443 -6.620 1.00 0.00 C ATOM 1152 CD2 PHE A 75 8.263 2.569 -5.540 1.00 0.00 C ATOM 1153 CE1 PHE A 75 9.642 0.215 -5.971 1.00 0.00 C ATOM 1154 CE2 PHE A 75 9.467 2.336 -4.893 1.00 0.00 C ATOM 1155 CZ PHE A 75 10.154 1.161 -5.111 1.00 0.00 C ATOM 0 H PHE A 75 5.403 -0.512 -8.069 1.00 0.00 H new ATOM 0 HA PHE A 75 5.153 1.065 -5.557 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.525 1.704 -8.206 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.131 2.941 -7.030 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.056 -0.305 -7.296 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.735 3.495 -5.364 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.179 -0.707 -6.139 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.867 3.077 -4.217 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.093 0.982 -4.608 1.00 0.00 H new ATOM 1165 N VAL A 76 2.890 0.754 -7.566 1.00 0.00 N ATOM 1166 CA VAL A 76 1.483 1.161 -7.807 1.00 0.00 C ATOM 1167 C VAL A 76 0.644 0.684 -6.610 1.00 0.00 C ATOM 1168 O VAL A 76 0.873 -0.405 -6.102 1.00 0.00 O ATOM 1169 CB VAL A 76 0.901 0.590 -9.165 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.629 0.808 -9.295 1.00 0.00 C ATOM 1171 CG2 VAL A 76 1.617 1.229 -10.372 1.00 0.00 C ATOM 0 H VAL A 76 3.069 -0.235 -7.738 1.00 0.00 H new ATOM 0 HA VAL A 76 1.443 2.246 -7.903 1.00 0.00 H new ATOM 0 HB VAL A 76 1.083 -0.485 -9.154 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.976 0.398 -10.244 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.139 0.304 -8.474 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.849 1.875 -9.259 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.204 0.825 -11.296 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.471 2.309 -10.352 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.683 1.006 -10.323 1.00 0.00 H new ATOM 1181 N LEU A 77 -0.322 1.519 -6.194 1.00 0.00 N ATOM 1182 CA LEU A 77 -1.138 1.339 -4.969 1.00 0.00 C ATOM 1183 C LEU A 77 -1.839 -0.030 -4.871 1.00 0.00 C ATOM 1184 O LEU A 77 -1.867 -0.621 -3.796 1.00 0.00 O ATOM 1185 CB LEU A 77 -2.173 2.499 -4.865 1.00 0.00 C ATOM 1186 CG LEU A 77 -1.720 3.734 -4.044 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -1.555 3.371 -2.554 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -0.440 4.389 -4.622 1.00 0.00 C ATOM 0 H LEU A 77 -0.568 2.363 -6.711 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.448 1.366 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.424 2.828 -5.873 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.088 2.106 -4.421 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.508 4.483 -4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.237 4.253 -1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.507 3.016 -2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.805 2.587 -2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.164 5.249 -4.012 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.374 3.664 -4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.628 4.715 -5.645 1.00 0.00 H new ATOM 1200 N LYS A 78 -2.406 -0.513 -5.985 1.00 0.00 N ATOM 1201 CA LYS A 78 -3.144 -1.807 -6.020 1.00 0.00 C ATOM 1202 C LYS A 78 -2.175 -3.000 -5.821 1.00 0.00 C ATOM 1203 O LYS A 78 -2.494 -3.966 -5.116 1.00 0.00 O ATOM 1204 CB LYS A 78 -3.937 -1.951 -7.361 1.00 0.00 C ATOM 1205 CG LYS A 78 -3.054 -1.849 -8.621 1.00 0.00 C ATOM 1206 CD LYS A 78 -3.799 -2.085 -9.947 1.00 0.00 C ATOM 1207 CE LYS A 78 -2.844 -2.016 -11.163 1.00 0.00 C ATOM 1208 NZ LYS A 78 -3.530 -2.364 -12.431 1.00 0.00 N ATOM 0 H LYS A 78 -2.373 -0.032 -6.884 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.860 -1.815 -5.198 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.452 -2.912 -7.366 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.704 -1.178 -7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.595 -0.861 -8.648 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.244 -2.574 -8.541 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.286 -3.060 -9.922 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.586 -1.339 -10.060 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.428 -1.011 -11.240 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.007 -2.696 -11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.854 -2.305 -13.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.905 -3.332 -12.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.313 -1.699 -12.596 1.00 0.00 H new ATOM 1222 N ASN A 79 -0.985 -2.896 -6.453 1.00 0.00 N ATOM 1223 CA ASN A 79 0.085 -3.920 -6.382 1.00 0.00 C ATOM 1224 C ASN A 79 0.671 -3.963 -4.967 1.00 0.00 C ATOM 1225 O ASN A 79 0.842 -5.034 -4.385 1.00 0.00 O ATOM 1226 CB ASN A 79 1.221 -3.610 -7.403 1.00 0.00 C ATOM 1227 CG ASN A 79 0.779 -3.623 -8.873 1.00 0.00 C ATOM 1228 OD1 ASN A 79 -0.326 -3.234 -9.214 1.00 0.00 O ATOM 1229 ND2 ASN A 79 1.647 -4.093 -9.753 1.00 0.00 N ATOM 0 H ASN A 79 -0.737 -2.093 -7.032 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.353 -4.887 -6.630 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.642 -2.631 -7.172 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.020 -4.340 -7.271 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.399 -4.136 -10.741 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.565 -4.412 -9.443 1.00 0.00 H new ATOM 1236 N LEU A 80 0.947 -2.761 -4.446 1.00 0.00 N ATOM 1237 CA LEU A 80 1.501 -2.531 -3.107 1.00 0.00 C ATOM 1238 C LEU A 80 0.564 -3.124 -2.042 1.00 0.00 C ATOM 1239 O LEU A 80 0.995 -3.918 -1.208 1.00 0.00 O ATOM 1240 CB LEU A 80 1.707 -0.995 -2.903 1.00 0.00 C ATOM 1241 CG LEU A 80 2.308 -0.528 -1.535 1.00 0.00 C ATOM 1242 CD1 LEU A 80 3.685 -1.171 -1.262 1.00 0.00 C ATOM 1243 CD2 LEU A 80 2.391 1.018 -1.458 1.00 0.00 C ATOM 0 H LEU A 80 0.786 -1.895 -4.961 1.00 0.00 H new ATOM 0 HA LEU A 80 2.466 -3.028 -3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.358 -0.633 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.742 -0.505 -3.033 1.00 0.00 H new ATOM 0 HG LEU A 80 1.630 -0.869 -0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.067 -0.820 -0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.581 -2.256 -1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.380 -0.891 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.812 1.312 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.027 1.389 -2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.392 1.442 -1.561 1.00 0.00 H new ATOM 1255 N ALA A 81 -0.731 -2.776 -2.138 1.00 0.00 N ATOM 1256 CA ALA A 81 -1.773 -3.230 -1.191 1.00 0.00 C ATOM 1257 C ALA A 81 -1.953 -4.765 -1.230 1.00 0.00 C ATOM 1258 O ALA A 81 -2.234 -5.389 -0.201 1.00 0.00 O ATOM 1259 CB ALA A 81 -3.099 -2.509 -1.479 1.00 0.00 C ATOM 0 H ALA A 81 -1.089 -2.170 -2.876 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.448 -2.974 -0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.859 -2.851 -0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.960 -1.434 -1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.420 -2.731 -2.497 1.00 0.00 H new ATOM 1265 N ALA A 82 -1.771 -5.360 -2.424 1.00 0.00 N ATOM 1266 CA ALA A 82 -1.810 -6.820 -2.599 1.00 0.00 C ATOM 1267 C ALA A 82 -0.686 -7.481 -1.778 1.00 0.00 C ATOM 1268 O ALA A 82 -0.938 -8.376 -0.970 1.00 0.00 O ATOM 1269 CB ALA A 82 -1.692 -7.191 -4.083 1.00 0.00 C ATOM 0 H ALA A 82 -1.594 -4.845 -3.287 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.769 -7.190 -2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.723 -8.275 -4.191 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.520 -6.748 -4.636 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.749 -6.814 -4.478 1.00 0.00 H new ATOM 1275 N ARG A 83 0.545 -6.971 -1.970 1.00 0.00 N ATOM 1276 CA ARG A 83 1.761 -7.468 -1.278 1.00 0.00 C ATOM 1277 C ARG A 83 1.607 -7.419 0.256 1.00 0.00 C ATOM 1278 O ARG A 83 1.870 -8.404 0.942 1.00 0.00 O ATOM 1279 CB ARG A 83 2.989 -6.623 -1.699 1.00 0.00 C ATOM 1280 CG ARG A 83 3.364 -6.672 -3.200 1.00 0.00 C ATOM 1281 CD ARG A 83 3.830 -8.066 -3.702 1.00 0.00 C ATOM 1282 NE ARG A 83 2.714 -9.015 -3.954 1.00 0.00 N ATOM 1283 CZ ARG A 83 2.393 -9.542 -5.144 1.00 0.00 C ATOM 1284 NH1 ARG A 83 2.995 -9.144 -6.255 1.00 0.00 N ATOM 1285 NH2 ARG A 83 1.429 -10.440 -5.234 1.00 0.00 N ATOM 0 H ARG A 83 0.730 -6.199 -2.611 1.00 0.00 H new ATOM 0 HA ARG A 83 1.905 -8.508 -1.571 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.802 -5.585 -1.425 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.850 -6.955 -1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.501 -6.358 -3.788 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.157 -5.948 -3.387 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.401 -7.939 -4.621 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.505 -8.501 -2.965 1.00 0.00 H new ATOM 0 HE ARG A 83 2.144 -9.288 -3.153 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.717 -8.424 -6.214 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.737 -9.557 -7.151 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.926 -10.734 -4.397 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.187 -10.839 -6.141 1.00 0.00 H new ATOM 1299 N ILE A 84 1.144 -6.260 0.746 1.00 0.00 N ATOM 1300 CA ILE A 84 1.003 -5.956 2.184 1.00 0.00 C ATOM 1301 C ILE A 84 0.011 -6.921 2.864 1.00 0.00 C ATOM 1302 O ILE A 84 0.336 -7.533 3.881 1.00 0.00 O ATOM 1303 CB ILE A 84 0.522 -4.469 2.354 1.00 0.00 C ATOM 1304 CG1 ILE A 84 1.600 -3.479 1.807 1.00 0.00 C ATOM 1305 CG2 ILE A 84 0.155 -4.131 3.823 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.110 -2.058 1.627 1.00 0.00 C ATOM 0 H ILE A 84 0.850 -5.490 0.145 1.00 0.00 H new ATOM 0 HA ILE A 84 1.972 -6.086 2.666 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.390 -4.356 1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.450 -3.474 2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.963 -3.849 0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.171 -3.093 3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.650 -4.785 4.157 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.028 -4.277 4.459 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.921 -1.439 1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.280 -2.046 0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.775 -1.664 2.587 1.00 0.00 H new ATOM 1318 N ASP A 85 -1.187 -7.043 2.264 1.00 0.00 N ATOM 1319 CA ASP A 85 -2.288 -7.888 2.782 1.00 0.00 C ATOM 1320 C ASP A 85 -1.861 -9.375 2.877 1.00 0.00 C ATOM 1321 O ASP A 85 -2.193 -10.069 3.849 1.00 0.00 O ATOM 1322 CB ASP A 85 -3.535 -7.706 1.879 1.00 0.00 C ATOM 1323 CG ASP A 85 -4.736 -8.558 2.317 1.00 0.00 C ATOM 1324 OD1 ASP A 85 -5.454 -8.152 3.255 1.00 0.00 O ATOM 1325 OD2 ASP A 85 -4.965 -9.639 1.728 1.00 0.00 O ATOM 0 H ASP A 85 -1.424 -6.556 1.400 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.537 -7.572 3.795 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.825 -6.655 1.880 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.272 -7.963 0.853 1.00 0.00 H new ATOM 1330 N GLU A 86 -1.101 -9.831 1.859 1.00 0.00 N ATOM 1331 CA GLU A 86 -0.527 -11.198 1.817 1.00 0.00 C ATOM 1332 C GLU A 86 0.480 -11.411 2.965 1.00 0.00 C ATOM 1333 O GLU A 86 0.524 -12.484 3.560 1.00 0.00 O ATOM 1334 CB GLU A 86 0.178 -11.458 0.462 1.00 0.00 C ATOM 1335 CG GLU A 86 -0.744 -11.546 -0.761 1.00 0.00 C ATOM 1336 CD GLU A 86 0.047 -11.691 -2.074 1.00 0.00 C ATOM 1337 OE1 GLU A 86 0.752 -10.732 -2.444 1.00 0.00 O ATOM 1338 OE2 GLU A 86 -0.009 -12.758 -2.731 1.00 0.00 O ATOM 0 H GLU A 86 -0.867 -9.265 1.043 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.351 -11.902 1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.902 -10.662 0.291 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.740 -12.389 0.538 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.416 -12.397 -0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.366 -10.653 -0.810 1.00 0.00 H new ATOM 1345 N LEU A 87 1.303 -10.374 3.241 1.00 0.00 N ATOM 1346 CA LEU A 87 2.297 -10.397 4.341 1.00 0.00 C ATOM 1347 C LEU A 87 1.612 -10.420 5.720 1.00 0.00 C ATOM 1348 O LEU A 87 2.144 -11.015 6.657 1.00 0.00 O ATOM 1349 CB LEU A 87 3.240 -9.173 4.243 1.00 0.00 C ATOM 1350 CG LEU A 87 4.171 -9.128 2.999 1.00 0.00 C ATOM 1351 CD1 LEU A 87 4.883 -7.770 2.902 1.00 0.00 C ATOM 1352 CD2 LEU A 87 5.185 -10.302 2.999 1.00 0.00 C ATOM 0 H LEU A 87 1.298 -9.502 2.712 1.00 0.00 H new ATOM 0 HA LEU A 87 2.882 -11.311 4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.631 -8.269 4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.861 -9.145 5.138 1.00 0.00 H new ATOM 0 HG LEU A 87 3.548 -9.246 2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.529 -7.760 2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.142 -6.976 2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.484 -7.609 3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.818 -10.236 2.114 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.805 -10.247 3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.645 -11.249 2.989 1.00 0.00 H new ATOM 1364 N VAL A 88 0.452 -9.740 5.847 1.00 0.00 N ATOM 1365 CA VAL A 88 -0.348 -9.751 7.091 1.00 0.00 C ATOM 1366 C VAL A 88 -0.894 -11.168 7.344 1.00 0.00 C ATOM 1367 O VAL A 88 -0.848 -11.677 8.476 1.00 0.00 O ATOM 1368 CB VAL A 88 -1.521 -8.695 7.058 1.00 0.00 C ATOM 1369 CG1 VAL A 88 -2.335 -8.722 8.379 1.00 0.00 C ATOM 1370 CG2 VAL A 88 -0.978 -7.267 6.783 1.00 0.00 C ATOM 0 H VAL A 88 0.048 -9.175 5.100 1.00 0.00 H new ATOM 0 HA VAL A 88 0.308 -9.464 7.913 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.189 -8.969 6.241 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.136 -7.985 8.328 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.763 -9.714 8.522 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.678 -8.486 9.216 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.807 -6.560 6.766 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.278 -6.986 7.570 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.467 -7.251 5.820 1.00 0.00 H new ATOM 1380 N ALA A 89 -1.367 -11.809 6.266 1.00 0.00 N ATOM 1381 CA ALA A 89 -1.836 -13.203 6.300 1.00 0.00 C ATOM 1382 C ALA A 89 -0.677 -14.156 6.669 1.00 0.00 C ATOM 1383 O ALA A 89 -0.833 -15.052 7.507 1.00 0.00 O ATOM 1384 CB ALA A 89 -2.467 -13.587 4.949 1.00 0.00 C ATOM 0 H ALA A 89 -1.436 -11.376 5.345 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.602 -13.298 7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.810 -14.621 4.988 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.313 -12.932 4.743 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.725 -13.480 4.158 1.00 0.00 H new ATOM 1390 N ALA A 90 0.501 -13.904 6.057 1.00 0.00 N ATOM 1391 CA ALA A 90 1.715 -14.718 6.236 1.00 0.00 C ATOM 1392 C ALA A 90 2.271 -14.631 7.672 1.00 0.00 C ATOM 1393 O ALA A 90 2.709 -15.645 8.231 1.00 0.00 O ATOM 1394 CB ALA A 90 2.791 -14.281 5.223 1.00 0.00 C ATOM 0 H ALA A 90 0.633 -13.120 5.418 1.00 0.00 H new ATOM 0 HA ALA A 90 1.442 -15.758 6.059 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.687 -14.886 5.360 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.413 -14.416 4.210 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.035 -13.231 5.382 1.00 0.00 H new ATOM 1400 N LYS A 91 2.233 -13.413 8.266 1.00 0.00 N ATOM 1401 CA LYS A 91 2.751 -13.177 9.631 1.00 0.00 C ATOM 1402 C LYS A 91 1.777 -13.754 10.674 1.00 0.00 C ATOM 1403 O LYS A 91 2.169 -13.986 11.824 1.00 0.00 O ATOM 1404 CB LYS A 91 2.974 -11.663 9.911 1.00 0.00 C ATOM 1405 CG LYS A 91 1.670 -10.844 10.077 1.00 0.00 C ATOM 1406 CD LYS A 91 1.858 -9.527 10.846 1.00 0.00 C ATOM 1407 CE LYS A 91 0.521 -8.843 11.168 1.00 0.00 C ATOM 1408 NZ LYS A 91 0.706 -7.687 12.076 1.00 0.00 N ATOM 0 H LYS A 91 1.849 -12.581 7.819 1.00 0.00 H new ATOM 0 HA LYS A 91 3.715 -13.681 9.706 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.572 -11.558 10.816 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.555 -11.236 9.093 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.263 -10.623 9.090 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.932 -11.455 10.597 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.395 -9.724 11.774 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.477 -8.850 10.257 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.050 -8.509 10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.156 -9.563 11.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.045 -7.687 12.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.632 -7.757 12.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.661 -6.804 11.528 1.00 0.00 H new ATOM 1422 N GLY A 92 0.492 -13.943 10.261 1.00 0.00 N ATOM 1423 CA GLY A 92 -0.502 -14.630 11.095 1.00 0.00 C ATOM 1424 C GLY A 92 -0.051 -16.049 11.430 1.00 0.00 C ATOM 1425 O GLY A 92 -0.209 -16.512 12.567 1.00 0.00 O ATOM 0 H GLY A 92 0.135 -13.627 9.360 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.660 -14.068 12.016 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.459 -14.663 10.574 1.00 0.00 H new ATOM 1429 N ALA A 93 0.527 -16.715 10.406 1.00 0.00 N ATOM 1430 CA ALA A 93 1.228 -18.007 10.540 1.00 0.00 C ATOM 1431 C ALA A 93 0.304 -19.151 11.012 1.00 0.00 C ATOM 1432 O ALA A 93 -0.924 -18.989 11.125 1.00 0.00 O ATOM 1433 CB ALA A 93 2.459 -17.847 11.470 1.00 0.00 C ATOM 0 H ALA A 93 0.518 -16.363 9.449 1.00 0.00 H new ATOM 0 HA ALA A 93 1.569 -18.297 9.546 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.971 -18.805 11.564 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.142 -17.110 11.046 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.130 -17.513 12.454 1.00 0.00 H new ATOM 1439 N LEU A 94 0.918 -20.325 11.240 1.00 0.00 N ATOM 1440 CA LEU A 94 0.254 -21.493 11.836 1.00 0.00 C ATOM 1441 C LEU A 94 0.068 -21.293 13.353 1.00 0.00 C ATOM 1442 O LEU A 94 -0.871 -21.837 13.944 1.00 0.00 O ATOM 1443 CB LEU A 94 1.087 -22.768 11.549 1.00 0.00 C ATOM 1444 CG LEU A 94 1.247 -23.134 10.037 1.00 0.00 C ATOM 1445 CD1 LEU A 94 2.284 -24.257 9.827 1.00 0.00 C ATOM 1446 CD2 LEU A 94 -0.121 -23.507 9.406 1.00 0.00 C ATOM 0 H LEU A 94 1.899 -20.489 11.013 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.733 -21.609 11.389 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.079 -22.639 11.982 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.622 -23.609 12.063 1.00 0.00 H new ATOM 0 HG LEU A 94 1.623 -22.248 9.525 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.366 -24.482 8.764 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.253 -23.932 10.205 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.966 -25.151 10.364 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.019 -23.757 8.354 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.541 -24.365 9.930 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.803 -22.661 9.490 1.00 0.00 H new ATOM 1458 N GLU A 95 0.979 -20.511 13.974 1.00 0.00 N ATOM 1459 CA GLU A 95 0.926 -20.195 15.406 1.00 0.00 C ATOM 1460 C GLU A 95 1.557 -18.808 15.660 1.00 0.00 C ATOM 1461 O GLU A 95 2.783 -18.677 15.736 1.00 0.00 O ATOM 1462 CB GLU A 95 1.664 -21.282 16.249 1.00 0.00 C ATOM 1463 CG GLU A 95 1.560 -21.078 17.771 1.00 0.00 C ATOM 1464 CD GLU A 95 2.579 -21.912 18.566 1.00 0.00 C ATOM 1465 OE1 GLU A 95 2.316 -23.101 18.840 1.00 0.00 O ATOM 1466 OE2 GLU A 95 3.656 -21.377 18.910 1.00 0.00 O ATOM 0 H GLU A 95 1.769 -20.084 13.490 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.119 -20.179 15.715 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.256 -22.261 15.996 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.717 -21.293 15.966 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.707 -20.023 18.000 1.00 0.00 H new ATOM 0 HG3 GLU A 95 0.553 -21.338 18.098 1.00 0.00 H new ATOM 1473 N HIS A 96 0.712 -17.774 15.718 1.00 0.00 N ATOM 1474 CA HIS A 96 1.084 -16.444 16.224 1.00 0.00 C ATOM 1475 C HIS A 96 0.917 -16.426 17.760 1.00 0.00 C ATOM 1476 O HIS A 96 1.773 -15.917 18.486 1.00 0.00 O ATOM 1477 CB HIS A 96 0.198 -15.365 15.548 1.00 0.00 C ATOM 1478 CG HIS A 96 0.374 -13.965 16.065 1.00 0.00 C ATOM 1479 ND1 HIS A 96 -0.687 -13.172 16.444 1.00 0.00 N ATOM 1480 CD2 HIS A 96 1.486 -13.211 16.248 1.00 0.00 C ATOM 1481 CE1 HIS A 96 -0.242 -11.994 16.830 1.00 0.00 C ATOM 1482 NE2 HIS A 96 1.072 -11.992 16.723 1.00 0.00 N ATOM 0 H HIS A 96 -0.259 -17.835 15.413 1.00 0.00 H new ATOM 0 HA HIS A 96 2.124 -16.224 15.985 1.00 0.00 H new ATOM 0 HB2 HIS A 96 0.406 -15.367 14.478 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -0.847 -15.650 15.670 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.505 -13.513 16.056 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -0.850 -11.171 17.175 1.00 0.00 H new ATOM 0 HE2 HIS A 96 1.683 -11.209 16.956 1.00 0.00 H new ATOM 1491 N HIS A 97 -0.206 -17.000 18.228 1.00 0.00 N ATOM 1492 CA HIS A 97 -0.546 -17.125 19.662 1.00 0.00 C ATOM 1493 C HIS A 97 -1.517 -18.303 19.829 1.00 0.00 C ATOM 1494 O HIS A 97 -1.242 -19.254 20.565 1.00 0.00 O ATOM 1495 CB HIS A 97 -1.173 -15.804 20.188 1.00 0.00 C ATOM 1496 CG HIS A 97 -1.765 -15.873 21.576 1.00 0.00 C ATOM 1497 ND1 HIS A 97 -1.008 -15.833 22.720 1.00 0.00 N ATOM 1498 CD2 HIS A 97 -3.059 -15.968 21.993 1.00 0.00 C ATOM 1499 CE1 HIS A 97 -1.794 -15.912 23.773 1.00 0.00 C ATOM 1500 NE2 HIS A 97 -3.046 -15.995 23.364 1.00 0.00 N ATOM 0 H HIS A 97 -0.916 -17.397 17.613 1.00 0.00 H new ATOM 0 HA HIS A 97 0.355 -17.312 20.246 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -0.407 -15.029 20.177 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -1.953 -15.491 19.494 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -3.933 -16.014 21.361 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -1.468 -15.909 24.803 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -3.866 -16.067 23.966 1.00 0.00 H new ATOM 1509 N HIS A 98 -2.653 -18.201 19.124 1.00 0.00 N ATOM 1510 CA HIS A 98 -3.699 -19.229 19.065 1.00 0.00 C ATOM 1511 C HIS A 98 -4.715 -18.755 18.019 1.00 0.00 C ATOM 1512 O HIS A 98 -5.248 -17.650 18.153 1.00 0.00 O ATOM 1513 CB HIS A 98 -4.371 -19.452 20.450 1.00 0.00 C ATOM 1514 CG HIS A 98 -5.366 -20.587 20.476 1.00 0.00 C ATOM 1515 ND1 HIS A 98 -6.703 -20.612 20.244 1.00 0.00 N flip ATOM 1516 CD2 HIS A 98 -5.024 -21.886 20.788 1.00 0.00 C flip ATOM 1517 CE1 HIS A 98 -7.132 -21.902 20.422 1.00 0.00 C flip ATOM 1518 NE2 HIS A 98 -6.098 -22.648 20.749 1.00 0.00 N flip ATOM 0 H HIS A 98 -2.874 -17.378 18.564 1.00 0.00 H new ATOM 0 HA HIS A 98 -3.274 -20.194 18.788 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -3.596 -19.646 21.191 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -4.876 -18.533 20.749 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.028 -22.227 21.028 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -8.149 -22.248 20.312 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -6.124 -23.650 20.940 1.00 0.00 H new ATOM 1527 N HIS A 99 -4.947 -19.570 16.975 1.00 0.00 N ATOM 1528 CA HIS A 99 -5.737 -19.167 15.790 1.00 0.00 C ATOM 1529 C HIS A 99 -7.259 -19.174 16.085 1.00 0.00 C ATOM 1530 O HIS A 99 -7.991 -20.064 15.646 1.00 0.00 O ATOM 1531 CB HIS A 99 -5.369 -20.069 14.571 1.00 0.00 C ATOM 1532 CG HIS A 99 -6.030 -19.668 13.266 1.00 0.00 C ATOM 1533 ND1 HIS A 99 -7.127 -20.322 12.743 1.00 0.00 N ATOM 1534 CD2 HIS A 99 -5.757 -18.660 12.393 1.00 0.00 C ATOM 1535 CE1 HIS A 99 -7.496 -19.735 11.621 1.00 0.00 C ATOM 1536 NE2 HIS A 99 -6.686 -18.726 11.389 1.00 0.00 N ATOM 0 H HIS A 99 -4.594 -20.526 16.925 1.00 0.00 H new ATOM 0 HA HIS A 99 -5.482 -18.138 15.538 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.288 -20.051 14.436 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -5.644 -21.098 14.801 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.956 -17.941 12.477 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -8.325 -20.034 10.997 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -6.741 -18.094 10.590 1.00 0.00 H new ATOM 1545 N HIS A 100 -7.687 -18.163 16.860 1.00 0.00 N ATOM 1546 CA HIS A 100 -9.089 -17.871 17.219 1.00 0.00 C ATOM 1547 C HIS A 100 -9.133 -16.401 17.683 1.00 0.00 C ATOM 1548 O HIS A 100 -9.854 -15.577 17.108 1.00 0.00 O ATOM 1549 CB HIS A 100 -9.638 -18.800 18.351 1.00 0.00 C ATOM 1550 CG HIS A 100 -10.042 -20.198 17.924 1.00 0.00 C ATOM 1551 ND1 HIS A 100 -9.401 -21.389 18.030 1.00 0.00 N flip ATOM 1552 CD2 HIS A 100 -11.241 -20.478 17.312 1.00 0.00 C flip ATOM 1553 CE1 HIS A 100 -10.219 -22.351 17.498 1.00 0.00 C flip ATOM 1554 NE2 HIS A 100 -11.325 -21.773 17.074 1.00 0.00 N flip ATOM 0 H HIS A 100 -7.036 -17.495 17.273 1.00 0.00 H new ATOM 0 HA HIS A 100 -9.723 -18.050 16.350 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -8.877 -18.884 19.127 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -10.503 -18.315 18.804 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -11.998 -19.749 17.064 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -9.995 -23.406 17.436 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -12.114 -22.248 16.635 1.00 0.00 H new ATOM 1563 N HIS A 101 -8.312 -16.111 18.725 1.00 0.00 N ATOM 1564 CA HIS A 101 -8.148 -14.775 19.341 1.00 0.00 C ATOM 1565 C HIS A 101 -9.523 -14.156 19.747 1.00 0.00 C ATOM 1566 O HIS A 101 -10.051 -14.534 20.808 1.00 0.00 O ATOM 1567 CB HIS A 101 -7.305 -13.826 18.426 1.00 0.00 C ATOM 1568 CG HIS A 101 -7.009 -12.485 19.054 1.00 0.00 C ATOM 1569 ND1 HIS A 101 -7.494 -11.293 18.560 1.00 0.00 N ATOM 1570 CD2 HIS A 101 -6.304 -12.167 20.161 1.00 0.00 C ATOM 1571 CE1 HIS A 101 -7.099 -10.303 19.338 1.00 0.00 C ATOM 1572 NE2 HIS A 101 -6.375 -10.806 20.316 1.00 0.00 N ATOM 1573 OXT HIS A 101 -10.077 -13.312 19.008 1.00 0.00 O ATOM 0 H HIS A 101 -7.731 -16.822 19.170 1.00 0.00 H new ATOM 0 HA HIS A 101 -7.584 -14.900 20.265 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -6.364 -14.317 18.177 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -7.840 -13.669 17.489 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -5.781 -12.857 20.806 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -7.330 -9.258 19.197 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -5.938 -10.271 21.066 1.00 0.00 H new TER 1582 HIS A 101