USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 614 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 18 HIS HD1 : A 18 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HD1 : A 56 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 17 LYS NZ :NH3+ -153:sc= -0.31 (180deg=-1.67!) USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 25 TYR OH : rot 165:sc= -0.764 USER MOD Set 2.2: A 54 ASN : amide:sc= -0.987 X(o=-1.8,f=-2) USER MOD Set 3.1: A 24 THR OG1 : rot -119:sc= 0.377 USER MOD Set 3.2: A 44 GLN : amide:sc= -1.48 K(o=-1.1,f=-3.2) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0273 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0563 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00684 USER MOD Single : A 5 SER OG : rot 29:sc= 0.153 USER MOD Single : A 6 SER OG : rot 1:sc= 0.506 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.285 X(o=-0.29,f=-0.034) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 168:sc= 0.00646 USER MOD Single : A 33 HIS :FLIP no HE2:sc= -2 F(o=-2.8!,f=-2) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -3.87! C(o=-3.9!,f=-3.8!) USER MOD Single : A 46 MET CE :methyl -159:sc= -0.33 (180deg=-1.38!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -160:sc= -0.21 (180deg=-0.665) USER MOD Single : A 57 LYS NZ :NH3+ 155:sc= -0.102 (180deg=-0.466) USER MOD Single : A 58 GLN : amide:sc= -0.443 K(o=-0.44,f=-5.3!) USER MOD Single : A 62 ASN : amide:sc= -0.0719 X(o=-0.072,f=0) USER MOD Single : A 69 MET CE :methyl 155:sc= -0.992 (180deg=-1.89) USER MOD Single : A 71 HIS : no HD1:sc=-0.00545 X(o=-0.0055,f=-0.006) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00252) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 169:sc= -0.0028 (180deg=-0.0963) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.579 34.725 27.672 1.00 0.00 N ATOM 2 CA GLY A 1 26.303 33.750 26.878 1.00 0.00 C ATOM 3 C GLY A 1 25.871 33.751 25.425 1.00 0.00 C ATOM 4 O GLY A 1 24.723 34.065 25.111 1.00 0.00 O ATOM 0 H1 GLY A 1 26.221 35.497 27.943 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.790 35.110 27.114 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.206 34.268 28.528 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.371 33.959 26.937 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.149 32.756 27.299 1.00 0.00 H new ATOM 8 N SER A 2 26.793 33.399 24.535 1.00 0.00 N ATOM 9 CA SER A 2 26.504 33.366 23.106 1.00 0.00 C ATOM 10 C SER A 2 27.624 32.668 22.340 1.00 0.00 C ATOM 11 O SER A 2 28.759 32.593 22.811 1.00 0.00 O ATOM 12 CB SER A 2 26.312 34.786 22.570 1.00 0.00 C ATOM 13 OG SER A 2 26.260 34.793 21.154 1.00 0.00 O ATOM 0 H SER A 2 27.747 33.132 24.778 1.00 0.00 H new ATOM 0 HA SER A 2 25.582 32.802 22.960 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.392 35.209 22.973 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.130 35.420 22.910 1.00 0.00 H new ATOM 0 HG SER A 2 26.135 35.711 20.836 1.00 0.00 H new ATOM 19 N SER A 3 27.295 32.158 21.158 1.00 0.00 N ATOM 20 CA SER A 3 28.272 31.462 20.327 1.00 0.00 C ATOM 21 C SER A 3 27.710 31.198 18.934 1.00 0.00 C ATOM 22 O SER A 3 26.552 31.502 18.651 1.00 0.00 O ATOM 23 CB SER A 3 28.682 30.142 20.983 1.00 0.00 C ATOM 24 OG SER A 3 29.909 29.670 20.453 1.00 0.00 O ATOM 0 H SER A 3 26.360 32.213 20.754 1.00 0.00 H new ATOM 0 HA SER A 3 29.151 32.100 20.230 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.777 30.281 22.060 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.903 29.396 20.825 1.00 0.00 H new ATOM 0 HG SER A 3 30.151 28.826 20.889 1.00 0.00 H new ATOM 30 N GLY A 4 28.540 30.628 18.066 1.00 0.00 N ATOM 31 CA GLY A 4 28.110 30.332 16.712 1.00 0.00 C ATOM 32 C GLY A 4 29.119 29.494 15.953 1.00 0.00 C ATOM 33 O GLY A 4 30.307 29.496 16.276 1.00 0.00 O ATOM 0 H GLY A 4 29.503 30.366 18.276 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.156 29.806 16.744 1.00 0.00 H new ATOM 0 HA3 GLY A 4 27.941 31.266 16.176 1.00 0.00 H new ATOM 37 N SER A 5 28.646 28.773 14.941 1.00 0.00 N ATOM 38 CA SER A 5 29.515 27.922 14.137 1.00 0.00 C ATOM 39 C SER A 5 28.776 27.394 12.911 1.00 0.00 C ATOM 40 O SER A 5 27.682 26.840 13.023 1.00 0.00 O ATOM 41 CB SER A 5 30.035 26.752 14.975 1.00 0.00 C ATOM 42 OG SER A 5 28.966 25.990 15.507 1.00 0.00 O ATOM 0 H SER A 5 27.666 28.761 14.659 1.00 0.00 H new ATOM 0 HA SER A 5 30.360 28.523 13.800 1.00 0.00 H new ATOM 0 HB2 SER A 5 30.669 26.114 14.360 1.00 0.00 H new ATOM 0 HB3 SER A 5 30.656 27.130 15.787 1.00 0.00 H new ATOM 0 HG SER A 5 28.191 26.054 14.911 1.00 0.00 H new ATOM 48 N SER A 6 29.381 27.572 11.741 1.00 0.00 N ATOM 49 CA SER A 6 28.779 27.118 10.493 1.00 0.00 C ATOM 50 C SER A 6 29.847 26.889 9.427 1.00 0.00 C ATOM 51 O SER A 6 30.826 27.629 9.344 1.00 0.00 O ATOM 52 CB SER A 6 27.756 28.140 9.994 1.00 0.00 C ATOM 53 OG SER A 6 26.677 28.267 10.904 1.00 0.00 O ATOM 0 H SER A 6 30.287 28.027 11.631 1.00 0.00 H new ATOM 0 HA SER A 6 28.273 26.172 10.685 1.00 0.00 H new ATOM 0 HB2 SER A 6 28.239 29.108 9.861 1.00 0.00 H new ATOM 0 HB3 SER A 6 27.379 27.835 9.018 1.00 0.00 H new ATOM 0 HG SER A 6 26.827 27.679 11.673 1.00 0.00 H new ATOM 59 N GLY A 7 29.649 25.857 8.613 1.00 0.00 N ATOM 60 CA GLY A 7 30.602 25.547 7.563 1.00 0.00 C ATOM 61 C GLY A 7 30.021 24.632 6.504 1.00 0.00 C ATOM 62 O GLY A 7 30.509 23.522 6.296 1.00 0.00 O ATOM 0 H GLY A 7 28.846 25.230 8.662 1.00 0.00 H new ATOM 0 HA2 GLY A 7 30.936 26.473 7.095 1.00 0.00 H new ATOM 0 HA3 GLY A 7 31.482 25.076 8.002 1.00 0.00 H new ATOM 66 N GLY A 8 28.973 25.098 5.831 1.00 0.00 N ATOM 67 CA GLY A 8 28.340 24.300 4.797 1.00 0.00 C ATOM 68 C GLY A 8 27.644 23.075 5.354 1.00 0.00 C ATOM 69 O GLY A 8 28.009 21.938 5.056 1.00 0.00 O ATOM 0 H GLY A 8 28.551 26.014 5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 8 27.615 24.914 4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 8 29.092 23.989 4.072 1.00 0.00 H new ATOM 73 N PRO A 9 26.617 23.300 6.187 1.00 0.00 N ATOM 74 CA PRO A 9 25.847 22.217 6.806 1.00 0.00 C ATOM 75 C PRO A 9 24.990 21.463 5.795 1.00 0.00 C ATOM 76 O PRO A 9 24.547 22.032 4.796 1.00 0.00 O ATOM 77 CB PRO A 9 24.962 22.946 7.820 1.00 0.00 C ATOM 78 CG PRO A 9 24.827 24.328 7.281 1.00 0.00 C ATOM 79 CD PRO A 9 26.127 24.630 6.587 1.00 0.00 C ATOM 0 HA PRO A 9 26.493 21.460 7.250 1.00 0.00 H new ATOM 0 HB2 PRO A 9 23.990 22.462 7.917 1.00 0.00 H new ATOM 0 HB3 PRO A 9 25.416 22.950 8.811 1.00 0.00 H new ATOM 0 HG2 PRO A 9 23.989 24.396 6.587 1.00 0.00 H new ATOM 0 HG3 PRO A 9 24.637 25.043 8.082 1.00 0.00 H new ATOM 0 HD2 PRO A 9 25.981 25.280 5.725 1.00 0.00 H new ATOM 0 HD3 PRO A 9 26.829 25.134 7.251 1.00 0.00 H new ATOM 87 N ASP A 10 24.760 20.182 6.059 1.00 0.00 N ATOM 88 CA ASP A 10 23.954 19.351 5.173 1.00 0.00 C ATOM 89 C ASP A 10 23.632 18.011 5.828 1.00 0.00 C ATOM 90 O ASP A 10 24.458 17.443 6.543 1.00 0.00 O ATOM 91 CB ASP A 10 24.685 19.122 3.849 1.00 0.00 C ATOM 92 CG ASP A 10 23.757 18.642 2.751 1.00 0.00 C ATOM 93 OD1 ASP A 10 23.540 17.415 2.651 1.00 0.00 O ATOM 94 OD2 ASP A 10 23.247 19.491 1.991 1.00 0.00 O ATOM 0 H ASP A 10 25.121 19.696 6.880 1.00 0.00 H new ATOM 0 HA ASP A 10 23.018 19.874 4.977 1.00 0.00 H new ATOM 0 HB2 ASP A 10 25.164 20.050 3.536 1.00 0.00 H new ATOM 0 HB3 ASP A 10 25.478 18.389 3.997 1.00 0.00 H new ATOM 99 N THR A 11 22.425 17.512 5.580 1.00 0.00 N ATOM 100 CA THR A 11 21.993 16.241 6.147 1.00 0.00 C ATOM 101 C THR A 11 21.124 15.467 5.162 1.00 0.00 C ATOM 102 O THR A 11 20.411 16.058 4.351 1.00 0.00 O ATOM 103 CB THR A 11 21.206 16.448 7.455 1.00 0.00 C ATOM 104 OG1 THR A 11 20.070 17.286 7.216 1.00 0.00 O ATOM 105 CG2 THR A 11 22.089 17.075 8.524 1.00 0.00 C ATOM 0 H THR A 11 21.730 17.969 4.990 1.00 0.00 H new ATOM 0 HA THR A 11 22.895 15.667 6.361 1.00 0.00 H new ATOM 0 HB THR A 11 20.870 15.473 7.809 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.574 17.411 8.052 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.512 17.212 9.438 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.937 16.421 8.725 1.00 0.00 H new ATOM 0 HG23 THR A 11 22.451 18.042 8.176 1.00 0.00 H new ATOM 113 N ASP A 12 21.187 14.142 5.240 1.00 0.00 N ATOM 114 CA ASP A 12 20.404 13.287 4.356 1.00 0.00 C ATOM 115 C ASP A 12 19.006 13.859 4.143 1.00 0.00 C ATOM 116 O ASP A 12 18.520 14.653 4.949 1.00 0.00 O ATOM 117 CB ASP A 12 20.307 11.874 4.933 1.00 0.00 C ATOM 118 CG ASP A 12 21.551 11.051 4.662 1.00 0.00 C ATOM 119 OD1 ASP A 12 22.221 11.307 3.639 1.00 0.00 O ATOM 120 OD2 ASP A 12 21.856 10.151 5.472 1.00 0.00 O ATOM 0 H ASP A 12 21.772 13.637 5.906 1.00 0.00 H new ATOM 0 HA ASP A 12 20.910 13.244 3.392 1.00 0.00 H new ATOM 0 HB2 ASP A 12 20.142 11.935 6.009 1.00 0.00 H new ATOM 0 HB3 ASP A 12 19.441 11.369 4.506 1.00 0.00 H new ATOM 125 N ASP A 13 18.366 13.453 3.052 1.00 0.00 N ATOM 126 CA ASP A 13 17.024 13.926 2.733 1.00 0.00 C ATOM 127 C ASP A 13 15.998 12.810 2.909 1.00 0.00 C ATOM 128 O ASP A 13 15.653 12.097 1.967 1.00 0.00 O ATOM 129 CB ASP A 13 16.975 14.459 1.300 1.00 0.00 C ATOM 130 CG ASP A 13 17.955 15.592 1.071 1.00 0.00 C ATOM 131 OD1 ASP A 13 17.892 16.591 1.818 1.00 0.00 O ATOM 132 OD2 ASP A 13 18.784 15.482 0.143 1.00 0.00 O ATOM 0 H ASP A 13 18.755 12.798 2.374 1.00 0.00 H new ATOM 0 HA ASP A 13 16.777 14.734 3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 13 17.193 13.648 0.606 1.00 0.00 H new ATOM 0 HB3 ASP A 13 15.965 14.805 1.078 1.00 0.00 H new ATOM 137 N PRO A 14 15.500 12.653 4.144 1.00 0.00 N ATOM 138 CA PRO A 14 14.507 11.626 4.473 1.00 0.00 C ATOM 139 C PRO A 14 13.145 11.917 3.853 1.00 0.00 C ATOM 140 O PRO A 14 12.185 11.174 4.064 1.00 0.00 O ATOM 141 CB PRO A 14 14.425 11.688 6.000 1.00 0.00 C ATOM 142 CG PRO A 14 14.844 13.075 6.346 1.00 0.00 C ATOM 143 CD PRO A 14 15.866 13.468 5.315 1.00 0.00 C ATOM 0 HA PRO A 14 14.790 10.647 4.088 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.414 11.481 6.351 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.080 10.950 6.462 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.992 13.755 6.331 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.267 13.116 7.350 1.00 0.00 H new ATOM 0 HD2 PRO A 14 15.823 14.534 5.092 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.880 13.254 5.652 1.00 0.00 H new ATOM 151 N ARG A 15 13.067 13.001 3.089 1.00 0.00 N ATOM 152 CA ARG A 15 11.821 13.390 2.440 1.00 0.00 C ATOM 153 C ARG A 15 11.575 12.552 1.188 1.00 0.00 C ATOM 154 O ARG A 15 10.431 12.259 0.840 1.00 0.00 O ATOM 155 CB ARG A 15 11.853 14.875 2.074 1.00 0.00 C ATOM 156 CG ARG A 15 11.757 15.800 3.276 1.00 0.00 C ATOM 157 CD ARG A 15 10.312 16.152 3.594 1.00 0.00 C ATOM 158 NE ARG A 15 9.711 15.204 4.529 1.00 0.00 N ATOM 159 CZ ARG A 15 8.439 15.252 4.909 1.00 0.00 C ATOM 160 NH1 ARG A 15 7.638 16.197 4.436 1.00 0.00 N ATOM 161 NH2 ARG A 15 7.966 14.354 5.763 1.00 0.00 N ATOM 0 H ARG A 15 13.852 13.626 2.904 1.00 0.00 H new ATOM 0 HA ARG A 15 11.005 13.213 3.141 1.00 0.00 H new ATOM 0 HB2 ARG A 15 12.776 15.088 1.535 1.00 0.00 H new ATOM 0 HB3 ARG A 15 11.029 15.091 1.393 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.215 15.322 4.142 1.00 0.00 H new ATOM 0 HG3 ARG A 15 12.320 16.712 3.080 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.268 17.156 4.017 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.732 16.169 2.672 1.00 0.00 H new ATOM 0 HE ARG A 15 10.301 14.465 4.911 1.00 0.00 H new ATOM 0 HH11 ARG A 15 7.998 16.889 3.779 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.662 16.232 4.729 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.579 13.626 6.129 1.00 0.00 H new ATOM 0 HH22 ARG A 15 6.989 14.392 6.054 1.00 0.00 H new ATOM 175 N SER A 16 12.656 12.171 0.516 1.00 0.00 N ATOM 176 CA SER A 16 12.559 11.371 -0.699 1.00 0.00 C ATOM 177 C SER A 16 12.247 9.915 -0.368 1.00 0.00 C ATOM 178 O SER A 16 11.468 9.261 -1.060 1.00 0.00 O ATOM 179 CB SER A 16 13.861 11.457 -1.498 1.00 0.00 C ATOM 180 OG SER A 16 14.385 12.773 -1.479 1.00 0.00 O ATOM 0 H SER A 16 13.610 12.404 0.792 1.00 0.00 H new ATOM 0 HA SER A 16 11.744 11.771 -1.303 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.593 10.765 -1.082 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.680 11.149 -2.528 1.00 0.00 H new ATOM 0 HG SER A 16 15.218 12.801 -1.995 1.00 0.00 H new ATOM 186 N LYS A 17 12.863 9.413 0.698 1.00 0.00 N ATOM 187 CA LYS A 17 12.653 8.035 1.125 1.00 0.00 C ATOM 188 C LYS A 17 11.184 7.644 1.000 1.00 0.00 C ATOM 189 O LYS A 17 10.302 8.504 0.977 1.00 0.00 O ATOM 190 CB LYS A 17 13.119 7.850 2.571 1.00 0.00 C ATOM 191 CG LYS A 17 14.574 7.432 2.692 1.00 0.00 C ATOM 192 CD LYS A 17 15.476 8.295 1.826 1.00 0.00 C ATOM 193 CE LYS A 17 16.945 7.967 2.051 1.00 0.00 C ATOM 194 NZ LYS A 17 17.385 6.806 1.230 1.00 0.00 N ATOM 0 H LYS A 17 13.512 9.941 1.282 1.00 0.00 H new ATOM 0 HA LYS A 17 13.240 7.387 0.475 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.972 8.784 3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.493 7.099 3.053 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.889 7.505 3.733 1.00 0.00 H new ATOM 0 HG3 LYS A 17 14.679 6.387 2.400 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.225 8.145 0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.299 9.347 2.049 1.00 0.00 H new ATOM 0 HE2 LYS A 17 17.553 8.837 1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 17 17.111 7.750 3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 18.180 6.329 1.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 16.595 6.138 1.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 17.687 7.139 0.292 1.00 0.00 H new ATOM 208 N HIS A 18 10.926 6.343 0.919 1.00 0.00 N ATOM 209 CA HIS A 18 9.563 5.839 0.799 1.00 0.00 C ATOM 210 C HIS A 18 9.002 5.456 2.165 1.00 0.00 C ATOM 211 O HIS A 18 9.742 5.040 3.057 1.00 0.00 O ATOM 212 CB HIS A 18 9.524 4.631 -0.138 1.00 0.00 C ATOM 213 CG HIS A 18 9.286 4.992 -1.572 1.00 0.00 C ATOM 214 ND1 HIS A 18 8.031 5.234 -2.088 1.00 0.00 N ATOM 215 CD2 HIS A 18 10.152 5.153 -2.599 1.00 0.00 C ATOM 216 CE1 HIS A 18 8.135 5.527 -3.372 1.00 0.00 C ATOM 217 NE2 HIS A 18 9.412 5.485 -3.707 1.00 0.00 N ATOM 0 H HIS A 18 11.643 5.618 0.934 1.00 0.00 H new ATOM 0 HA HIS A 18 8.944 6.634 0.382 1.00 0.00 H new ATOM 0 HB2 HIS A 18 10.467 4.090 -0.060 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.739 3.951 0.192 1.00 0.00 H new ATOM 0 HD2 HIS A 18 11.225 5.041 -2.555 1.00 0.00 H new ATOM 0 HE1 HIS A 18 7.315 5.761 -4.035 1.00 0.00 H new ATOM 0 HE2 HIS A 18 9.787 5.669 -4.637 1.00 0.00 H new ATOM 225 N LYS A 19 7.691 5.601 2.323 1.00 0.00 N ATOM 226 CA LYS A 19 7.030 5.271 3.580 1.00 0.00 C ATOM 227 C LYS A 19 6.308 3.931 3.479 1.00 0.00 C ATOM 228 O LYS A 19 5.384 3.653 4.243 1.00 0.00 O ATOM 229 CB LYS A 19 6.036 6.370 3.961 1.00 0.00 C ATOM 230 CG LYS A 19 6.635 7.765 3.940 1.00 0.00 C ATOM 231 CD LYS A 19 7.156 8.169 5.309 1.00 0.00 C ATOM 232 CE LYS A 19 8.363 9.088 5.197 1.00 0.00 C ATOM 233 NZ LYS A 19 9.125 9.161 6.475 1.00 0.00 N ATOM 0 H LYS A 19 7.065 5.945 1.595 1.00 0.00 H new ATOM 0 HA LYS A 19 7.793 5.196 4.354 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.190 6.337 3.275 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.646 6.166 4.958 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.448 7.802 3.215 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.882 8.481 3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.365 8.671 5.867 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.427 7.277 5.874 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.019 8.731 4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.033 10.087 4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.940 9.797 6.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.507 9.526 7.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.462 8.211 6.733 1.00 0.00 H new ATOM 247 N PHE A 20 6.736 3.103 2.532 1.00 0.00 N ATOM 248 CA PHE A 20 6.131 1.791 2.332 1.00 0.00 C ATOM 249 C PHE A 20 5.843 1.115 3.669 1.00 0.00 C ATOM 250 O PHE A 20 6.740 0.935 4.493 1.00 0.00 O ATOM 251 CB PHE A 20 7.049 0.905 1.487 1.00 0.00 C ATOM 252 CG PHE A 20 7.147 1.340 0.052 1.00 0.00 C ATOM 253 CD1 PHE A 20 6.011 1.700 -0.655 1.00 0.00 C ATOM 254 CD2 PHE A 20 8.374 1.387 -0.589 1.00 0.00 C ATOM 255 CE1 PHE A 20 6.098 2.100 -1.975 1.00 0.00 C ATOM 256 CE2 PHE A 20 8.467 1.787 -1.908 1.00 0.00 C ATOM 257 CZ PHE A 20 7.328 2.143 -2.603 1.00 0.00 C ATOM 0 H PHE A 20 7.500 3.317 1.891 1.00 0.00 H new ATOM 0 HA PHE A 20 5.187 1.931 1.805 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.046 0.905 1.927 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.684 -0.121 1.523 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.047 1.668 -0.169 1.00 0.00 H new ATOM 0 HD2 PHE A 20 9.268 1.108 -0.052 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.205 2.379 -2.515 1.00 0.00 H new ATOM 0 HE2 PHE A 20 9.430 1.821 -2.395 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.398 2.454 -3.635 1.00 0.00 H new ATOM 267 N LYS A 21 4.585 0.743 3.879 1.00 0.00 N ATOM 268 CA LYS A 21 4.176 0.086 5.115 1.00 0.00 C ATOM 269 C LYS A 21 3.745 -1.353 4.849 1.00 0.00 C ATOM 270 O LYS A 21 2.931 -1.613 3.962 1.00 0.00 O ATOM 271 CB LYS A 21 3.032 0.860 5.773 1.00 0.00 C ATOM 272 CG LYS A 21 3.041 0.785 7.290 1.00 0.00 C ATOM 273 CD LYS A 21 2.317 -0.454 7.791 1.00 0.00 C ATOM 274 CE LYS A 21 2.096 -0.400 9.295 1.00 0.00 C ATOM 275 NZ LYS A 21 0.930 0.454 9.654 1.00 0.00 N ATOM 0 H LYS A 21 3.830 0.886 3.208 1.00 0.00 H new ATOM 0 HA LYS A 21 5.031 0.071 5.790 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.089 1.905 5.469 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.083 0.472 5.404 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.070 0.776 7.649 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.567 1.676 7.702 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.356 -0.545 7.284 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.896 -1.342 7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.938 -1.409 9.675 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.992 -0.013 9.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.813 0.465 10.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.092 1.423 9.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.070 0.071 9.212 1.00 0.00 H new ATOM 289 N ILE A 22 4.293 -2.282 5.624 1.00 0.00 N ATOM 290 CA ILE A 22 3.962 -3.694 5.474 1.00 0.00 C ATOM 291 C ILE A 22 2.494 -3.951 5.795 1.00 0.00 C ATOM 292 O ILE A 22 2.111 -4.054 6.961 1.00 0.00 O ATOM 293 CB ILE A 22 4.837 -4.577 6.382 1.00 0.00 C ATOM 294 CG1 ILE A 22 4.541 -6.057 6.129 1.00 0.00 C ATOM 295 CG2 ILE A 22 4.606 -4.227 7.844 1.00 0.00 C ATOM 296 CD1 ILE A 22 5.111 -6.573 4.827 1.00 0.00 C ATOM 0 H ILE A 22 4.968 -2.083 6.362 1.00 0.00 H new ATOM 0 HA ILE A 22 4.155 -3.955 4.433 1.00 0.00 H new ATOM 0 HB ILE A 22 5.884 -4.390 6.146 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.946 -6.646 6.952 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.462 -6.208 6.129 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.232 -4.860 8.473 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.862 -3.181 8.013 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.558 -4.389 8.096 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.863 -7.628 4.714 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.687 -6.009 3.996 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.194 -6.454 4.832 1.00 0.00 H new ATOM 308 N HIS A 23 1.675 -4.057 4.754 1.00 0.00 N ATOM 309 CA HIS A 23 0.248 -4.306 4.925 1.00 0.00 C ATOM 310 C HIS A 23 -0.292 -5.175 3.793 1.00 0.00 C ATOM 311 O HIS A 23 0.140 -5.058 2.645 1.00 0.00 O ATOM 312 CB HIS A 23 -0.519 -2.984 4.978 1.00 0.00 C ATOM 313 CG HIS A 23 -1.738 -3.033 5.846 1.00 0.00 C ATOM 314 ND1 HIS A 23 -2.548 -1.940 6.069 1.00 0.00 N ATOM 315 CD2 HIS A 23 -2.286 -4.054 6.546 1.00 0.00 C ATOM 316 CE1 HIS A 23 -3.540 -2.285 6.871 1.00 0.00 C ATOM 317 NE2 HIS A 23 -3.404 -3.564 7.175 1.00 0.00 N ATOM 0 H HIS A 23 1.975 -3.974 3.783 1.00 0.00 H new ATOM 0 HA HIS A 23 0.108 -4.838 5.866 1.00 0.00 H new ATOM 0 HB2 HIS A 23 0.146 -2.202 5.344 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.814 -2.704 3.967 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -1.913 -5.066 6.600 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.328 -1.633 7.219 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -4.028 -4.100 7.778 1.00 0.00 H new ATOM 325 N THR A 24 -1.238 -6.049 4.124 1.00 0.00 N ATOM 326 CA THR A 24 -1.835 -6.939 3.136 1.00 0.00 C ATOM 327 C THR A 24 -3.034 -6.285 2.460 1.00 0.00 C ATOM 328 O THR A 24 -3.728 -5.464 3.062 1.00 0.00 O ATOM 329 CB THR A 24 -2.282 -8.267 3.775 1.00 0.00 C ATOM 330 OG1 THR A 24 -2.889 -9.107 2.786 1.00 0.00 O ATOM 331 CG2 THR A 24 -3.265 -8.019 4.909 1.00 0.00 C ATOM 0 H THR A 24 -1.607 -6.159 5.069 1.00 0.00 H new ATOM 0 HA THR A 24 -1.067 -7.143 2.389 1.00 0.00 H new ATOM 0 HB THR A 24 -1.401 -8.763 4.182 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.817 -9.292 3.039 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.566 -8.972 5.344 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.791 -7.404 5.674 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.144 -7.503 4.522 1.00 0.00 H new ATOM 339 N TYR A 25 -3.274 -6.653 1.207 1.00 0.00 N ATOM 340 CA TYR A 25 -4.390 -6.100 0.448 1.00 0.00 C ATOM 341 C TYR A 25 -5.563 -7.075 0.416 1.00 0.00 C ATOM 342 O TYR A 25 -5.377 -8.290 0.446 1.00 0.00 O ATOM 343 CB TYR A 25 -3.949 -5.769 -0.979 1.00 0.00 C ATOM 344 CG TYR A 25 -2.740 -4.864 -1.044 1.00 0.00 C ATOM 345 CD1 TYR A 25 -1.498 -5.297 -0.596 1.00 0.00 C ATOM 346 CD2 TYR A 25 -2.839 -3.575 -1.554 1.00 0.00 C ATOM 347 CE1 TYR A 25 -0.391 -4.473 -0.653 1.00 0.00 C ATOM 348 CE2 TYR A 25 -1.737 -2.745 -1.616 1.00 0.00 C ATOM 349 CZ TYR A 25 -0.515 -3.198 -1.164 1.00 0.00 C ATOM 350 OH TYR A 25 0.585 -2.374 -1.223 1.00 0.00 O ATOM 0 H TYR A 25 -2.711 -7.332 0.695 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.715 -5.185 0.943 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.727 -6.697 -1.506 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.777 -5.294 -1.505 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.397 -6.295 -0.196 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.794 -3.216 -1.908 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.567 -4.825 -0.299 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.831 -1.746 -2.016 1.00 0.00 H new ATOM 0 HH TYR A 25 0.395 -1.617 -1.815 1.00 0.00 H new ATOM 360 N GLY A 26 -6.775 -6.530 0.355 1.00 0.00 N ATOM 361 CA GLY A 26 -7.962 -7.364 0.320 1.00 0.00 C ATOM 362 C GLY A 26 -8.425 -7.655 -1.094 1.00 0.00 C ATOM 363 O GLY A 26 -9.368 -8.418 -1.301 1.00 0.00 O ATOM 0 H GLY A 26 -6.955 -5.526 0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.757 -8.304 0.833 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.765 -6.871 0.868 1.00 0.00 H new ATOM 367 N SER A 27 -7.760 -7.044 -2.070 1.00 0.00 N ATOM 368 CA SER A 27 -8.112 -7.237 -3.472 1.00 0.00 C ATOM 369 C SER A 27 -6.870 -7.527 -4.309 1.00 0.00 C ATOM 370 O SER A 27 -5.746 -7.195 -3.933 1.00 0.00 O ATOM 371 CB SER A 27 -8.829 -5.999 -4.014 1.00 0.00 C ATOM 372 OG SER A 27 -7.905 -5.072 -4.557 1.00 0.00 O ATOM 0 H SER A 27 -6.975 -6.411 -1.915 1.00 0.00 H new ATOM 0 HA SER A 27 -8.782 -8.094 -3.539 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.545 -6.296 -4.781 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.397 -5.525 -3.214 1.00 0.00 H new ATOM 0 HG SER A 27 -8.388 -4.290 -4.898 1.00 0.00 H new ATOM 378 N PRO A 28 -7.077 -8.163 -5.472 1.00 0.00 N ATOM 379 CA PRO A 28 -5.987 -8.512 -6.388 1.00 0.00 C ATOM 380 C PRO A 28 -5.375 -7.285 -7.054 1.00 0.00 C ATOM 381 O PRO A 28 -5.930 -6.741 -8.010 1.00 0.00 O ATOM 382 CB PRO A 28 -6.671 -9.401 -7.430 1.00 0.00 C ATOM 383 CG PRO A 28 -8.101 -8.984 -7.404 1.00 0.00 C ATOM 384 CD PRO A 28 -8.391 -8.588 -5.983 1.00 0.00 C ATOM 0 HA PRO A 28 -5.159 -8.997 -5.871 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.235 -9.259 -8.419 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.562 -10.457 -7.182 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.277 -8.151 -8.085 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.751 -9.799 -7.722 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.122 -7.781 -5.932 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.795 -9.421 -5.408 1.00 0.00 H new ATOM 392 N THR A 29 -4.225 -6.852 -6.545 1.00 0.00 N ATOM 393 CA THR A 29 -3.537 -5.689 -7.091 1.00 0.00 C ATOM 394 C THR A 29 -2.319 -6.104 -7.907 1.00 0.00 C ATOM 395 O THR A 29 -1.738 -7.165 -7.678 1.00 0.00 O ATOM 396 CB THR A 29 -3.090 -4.726 -5.974 1.00 0.00 C ATOM 397 OG1 THR A 29 -3.839 -4.979 -4.780 1.00 0.00 O ATOM 398 CG2 THR A 29 -3.279 -3.278 -6.401 1.00 0.00 C ATOM 0 H THR A 29 -3.751 -7.290 -5.755 1.00 0.00 H new ATOM 0 HA THR A 29 -4.247 -5.176 -7.740 1.00 0.00 H new ATOM 0 HB THR A 29 -2.031 -4.896 -5.780 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.424 -4.508 -4.027 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.957 -2.617 -5.597 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.684 -3.081 -7.293 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.331 -3.098 -6.620 1.00 0.00 H new ATOM 406 N PHE A 30 -1.935 -5.260 -8.859 1.00 0.00 N ATOM 407 CA PHE A 30 -0.784 -5.540 -9.711 1.00 0.00 C ATOM 408 C PHE A 30 0.394 -4.642 -9.344 1.00 0.00 C ATOM 409 O PHE A 30 0.297 -3.416 -9.400 1.00 0.00 O ATOM 410 CB PHE A 30 -1.152 -5.342 -11.183 1.00 0.00 C ATOM 411 CG PHE A 30 -1.973 -6.464 -11.752 1.00 0.00 C ATOM 412 CD1 PHE A 30 -1.394 -7.692 -12.029 1.00 0.00 C ATOM 413 CD2 PHE A 30 -3.323 -6.290 -12.010 1.00 0.00 C ATOM 414 CE1 PHE A 30 -2.146 -8.726 -12.552 1.00 0.00 C ATOM 415 CE2 PHE A 30 -4.080 -7.322 -12.533 1.00 0.00 C ATOM 416 CZ PHE A 30 -3.491 -8.541 -12.805 1.00 0.00 C ATOM 0 H PHE A 30 -2.404 -4.377 -9.060 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.490 -6.578 -9.554 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.705 -4.408 -11.289 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.238 -5.239 -11.767 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.343 -7.842 -11.834 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.789 -5.338 -11.800 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.682 -9.678 -12.763 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.132 -7.175 -12.729 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.081 -9.348 -13.215 1.00 0.00 H new ATOM 426 N CYS A 31 1.507 -5.263 -8.968 1.00 0.00 N ATOM 427 CA CYS A 31 2.705 -4.522 -8.590 1.00 0.00 C ATOM 428 C CYS A 31 2.929 -3.337 -9.524 1.00 0.00 C ATOM 429 O CYS A 31 2.400 -3.300 -10.635 1.00 0.00 O ATOM 430 CB CYS A 31 3.928 -5.443 -8.615 1.00 0.00 C ATOM 431 SG CYS A 31 5.441 -4.686 -7.941 1.00 0.00 S ATOM 0 H CYS A 31 1.604 -6.277 -8.917 1.00 0.00 H new ATOM 0 HA CYS A 31 2.563 -4.143 -7.578 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.702 -6.345 -8.047 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.116 -5.752 -9.643 1.00 0.00 H new ATOM 436 N ASP A 32 3.716 -2.370 -9.066 1.00 0.00 N ATOM 437 CA ASP A 32 4.012 -1.183 -9.860 1.00 0.00 C ATOM 438 C ASP A 32 5.418 -1.258 -10.447 1.00 0.00 C ATOM 439 O ASP A 32 5.698 -0.669 -11.491 1.00 0.00 O ATOM 440 CB ASP A 32 3.869 0.077 -9.005 1.00 0.00 C ATOM 441 CG ASP A 32 3.735 1.333 -9.843 1.00 0.00 C ATOM 442 OD1 ASP A 32 2.878 1.351 -10.752 1.00 0.00 O ATOM 443 OD2 ASP A 32 4.487 2.298 -9.592 1.00 0.00 O ATOM 0 H ASP A 32 4.161 -2.385 -8.148 1.00 0.00 H new ATOM 0 HA ASP A 32 3.297 -1.138 -10.682 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.995 -0.022 -8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.737 0.170 -8.352 1.00 0.00 H new ATOM 448 N HIS A 33 6.299 -1.986 -9.769 1.00 0.00 N ATOM 449 CA HIS A 33 7.677 -2.138 -10.223 1.00 0.00 C ATOM 450 C HIS A 33 7.777 -3.208 -11.306 1.00 0.00 C ATOM 451 O HIS A 33 7.955 -2.898 -12.485 1.00 0.00 O ATOM 452 CB HIS A 33 8.586 -2.498 -9.048 1.00 0.00 C ATOM 453 CG HIS A 33 10.035 -2.590 -9.419 1.00 0.00 C ATOM 454 ND1 HIS A 33 10.765 -3.630 -9.886 1.00 0.00 N flip ATOM 455 CD2 HIS A 33 10.905 -1.525 -9.322 1.00 0.00 C flip ATOM 456 CE1 HIS A 33 12.050 -3.178 -10.063 1.00 0.00 C flip ATOM 457 NE2 HIS A 33 12.107 -1.905 -9.716 1.00 0.00 N flip ATOM 0 H HIS A 33 6.084 -2.480 -8.903 1.00 0.00 H new ATOM 0 HA HIS A 33 8.002 -1.187 -10.646 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.467 -1.750 -8.264 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.265 -3.452 -8.630 1.00 0.00 H new ATOM 0 HD1 HIS A 33 10.424 -4.573 -10.072 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.644 -0.535 -8.978 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.879 -3.768 -10.427 1.00 0.00 H new ATOM 465 N CYS A 34 7.662 -4.468 -10.899 1.00 0.00 N ATOM 466 CA CYS A 34 7.740 -5.584 -11.834 1.00 0.00 C ATOM 467 C CYS A 34 6.484 -5.661 -12.696 1.00 0.00 C ATOM 468 O CYS A 34 6.563 -5.811 -13.915 1.00 0.00 O ATOM 469 CB CYS A 34 7.932 -6.899 -11.075 1.00 0.00 C ATOM 470 SG CYS A 34 6.514 -7.370 -10.033 1.00 0.00 S ATOM 0 H CYS A 34 7.514 -4.742 -9.928 1.00 0.00 H new ATOM 0 HA CYS A 34 8.597 -5.419 -12.487 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.122 -7.696 -11.793 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.819 -6.818 -10.447 1.00 0.00 H new ATOM 475 N GLY A 35 5.324 -5.556 -12.054 1.00 0.00 N ATOM 476 CA GLY A 35 4.068 -5.615 -12.778 1.00 0.00 C ATOM 477 C GLY A 35 3.388 -6.964 -12.649 1.00 0.00 C ATOM 478 O GLY A 35 2.695 -7.407 -13.565 1.00 0.00 O ATOM 0 H GLY A 35 5.232 -5.431 -11.046 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.401 -4.838 -12.406 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.249 -5.402 -13.832 1.00 0.00 H new ATOM 482 N SER A 36 3.587 -7.619 -11.510 1.00 0.00 N ATOM 483 CA SER A 36 2.992 -8.928 -11.267 1.00 0.00 C ATOM 484 C SER A 36 1.984 -8.862 -10.123 1.00 0.00 C ATOM 485 O SER A 36 2.234 -8.232 -9.095 1.00 0.00 O ATOM 486 CB SER A 36 4.080 -9.954 -10.944 1.00 0.00 C ATOM 487 OG SER A 36 4.550 -10.586 -12.123 1.00 0.00 O ATOM 0 H SER A 36 4.156 -7.265 -10.741 1.00 0.00 H new ATOM 0 HA SER A 36 2.469 -9.236 -12.172 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.909 -9.462 -10.436 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.686 -10.704 -10.258 1.00 0.00 H new ATOM 0 HG SER A 36 5.246 -11.236 -11.891 1.00 0.00 H new ATOM 493 N LEU A 37 0.844 -9.519 -10.309 1.00 0.00 N ATOM 494 CA LEU A 37 -0.203 -9.536 -9.294 1.00 0.00 C ATOM 495 C LEU A 37 0.365 -9.923 -7.932 1.00 0.00 C ATOM 496 O LEU A 37 1.340 -10.670 -7.844 1.00 0.00 O ATOM 497 CB LEU A 37 -1.311 -10.513 -9.693 1.00 0.00 C ATOM 498 CG LEU A 37 -2.664 -10.308 -9.012 1.00 0.00 C ATOM 499 CD1 LEU A 37 -3.534 -9.363 -9.827 1.00 0.00 C ATOM 500 CD2 LEU A 37 -3.367 -11.642 -8.810 1.00 0.00 C ATOM 0 H LEU A 37 0.622 -10.047 -11.153 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.621 -8.532 -9.221 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.456 -10.446 -10.771 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.969 -11.526 -9.479 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.492 -9.859 -8.034 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.493 -9.229 -9.327 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.035 -8.398 -9.920 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.698 -9.784 -10.819 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.329 -11.477 -8.324 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.526 -12.119 -9.777 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.750 -12.287 -8.184 1.00 0.00 H new ATOM 512 N LEU A 38 -0.252 -9.411 -6.873 1.00 0.00 N ATOM 513 CA LEU A 38 0.190 -9.704 -5.514 1.00 0.00 C ATOM 514 C LEU A 38 -0.716 -10.740 -4.858 1.00 0.00 C ATOM 515 O LEU A 38 -1.932 -10.560 -4.785 1.00 0.00 O ATOM 516 CB LEU A 38 0.210 -8.424 -4.677 1.00 0.00 C ATOM 517 CG LEU A 38 0.911 -7.220 -5.307 1.00 0.00 C ATOM 518 CD1 LEU A 38 0.411 -5.925 -4.684 1.00 0.00 C ATOM 519 CD2 LEU A 38 2.420 -7.340 -5.154 1.00 0.00 C ATOM 0 H LEU A 38 -1.060 -8.791 -6.929 1.00 0.00 H new ATOM 0 HA LEU A 38 1.199 -10.113 -5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.819 -8.144 -4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.694 -8.644 -3.725 1.00 0.00 H new ATOM 0 HG LEU A 38 0.675 -7.202 -6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.921 -5.079 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.663 -5.834 -4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.616 -5.933 -3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.902 -6.474 -5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.676 -7.384 -4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.765 -8.248 -5.649 1.00 0.00 H new ATOM 531 N TYR A 39 -0.116 -11.825 -4.381 1.00 0.00 N ATOM 532 CA TYR A 39 -0.869 -12.891 -3.731 1.00 0.00 C ATOM 533 C TYR A 39 -0.472 -13.022 -2.264 1.00 0.00 C ATOM 534 O TYR A 39 0.589 -12.554 -1.851 1.00 0.00 O ATOM 535 CB TYR A 39 -0.639 -14.220 -4.453 1.00 0.00 C ATOM 536 CG TYR A 39 0.744 -14.353 -5.051 1.00 0.00 C ATOM 537 CD1 TYR A 39 1.818 -14.775 -4.278 1.00 0.00 C ATOM 538 CD2 TYR A 39 0.975 -14.059 -6.389 1.00 0.00 C ATOM 539 CE1 TYR A 39 3.083 -14.897 -4.819 1.00 0.00 C ATOM 540 CE2 TYR A 39 2.236 -14.179 -6.939 1.00 0.00 C ATOM 541 CZ TYR A 39 3.287 -14.599 -6.150 1.00 0.00 C ATOM 542 OH TYR A 39 4.545 -14.721 -6.694 1.00 0.00 O ATOM 0 H TYR A 39 0.889 -11.989 -4.432 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.928 -12.636 -3.781 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.803 -15.038 -3.751 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.380 -14.327 -5.245 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.661 -15.012 -3.236 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.154 -13.731 -7.010 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.908 -15.224 -4.203 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.399 -13.945 -7.981 1.00 0.00 H new ATOM 0 HH TYR A 39 4.517 -14.474 -7.642 1.00 0.00 H new ATOM 552 N GLY A 40 -1.333 -13.663 -1.479 1.00 0.00 N ATOM 553 CA GLY A 40 -1.055 -13.845 -0.066 1.00 0.00 C ATOM 554 C GLY A 40 -2.214 -13.416 0.812 1.00 0.00 C ATOM 555 O GLY A 40 -3.081 -12.654 0.381 1.00 0.00 O ATOM 0 H GLY A 40 -2.218 -14.059 -1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.828 -14.894 0.124 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.168 -13.272 0.203 1.00 0.00 H new ATOM 559 N LEU A 41 -2.231 -13.905 2.047 1.00 0.00 N ATOM 560 CA LEU A 41 -3.293 -13.569 2.989 1.00 0.00 C ATOM 561 C LEU A 41 -2.894 -12.380 3.857 1.00 0.00 C ATOM 562 O LEU A 41 -3.676 -11.447 4.047 1.00 0.00 O ATOM 563 CB LEU A 41 -3.619 -14.774 3.872 1.00 0.00 C ATOM 564 CG LEU A 41 -5.065 -14.878 4.360 1.00 0.00 C ATOM 565 CD1 LEU A 41 -5.420 -13.685 5.235 1.00 0.00 C ATOM 566 CD2 LEU A 41 -6.020 -14.978 3.179 1.00 0.00 C ATOM 0 H LEU A 41 -1.521 -14.536 2.420 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.180 -13.296 2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.378 -15.681 3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.964 -14.749 4.743 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.162 -15.784 4.959 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.452 -13.776 5.573 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.756 -13.657 6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.306 -12.766 4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.044 -15.051 3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.920 -14.090 2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.780 -15.864 2.591 1.00 0.00 H new ATOM 578 N ILE A 42 -1.674 -12.419 4.381 1.00 0.00 N ATOM 579 CA ILE A 42 -1.170 -11.344 5.226 1.00 0.00 C ATOM 580 C ILE A 42 0.188 -10.852 4.739 1.00 0.00 C ATOM 581 O ILE A 42 0.941 -11.596 4.108 1.00 0.00 O ATOM 582 CB ILE A 42 -1.045 -11.793 6.694 1.00 0.00 C ATOM 583 CG1 ILE A 42 -0.718 -10.597 7.590 1.00 0.00 C ATOM 584 CG2 ILE A 42 0.021 -12.871 6.829 1.00 0.00 C ATOM 585 CD1 ILE A 42 -1.840 -9.588 7.684 1.00 0.00 C ATOM 0 H ILE A 42 -1.016 -13.184 4.235 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.892 -10.530 5.164 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.000 -12.211 7.013 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.480 -10.957 8.591 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.175 -10.101 7.209 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.098 -13.178 7.872 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.251 -13.731 6.217 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.981 -12.477 6.495 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.538 -8.768 8.335 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.064 -9.199 6.691 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.728 -10.069 8.094 1.00 0.00 H new ATOM 597 N HIS A 43 0.498 -9.594 5.037 1.00 0.00 N ATOM 598 CA HIS A 43 1.768 -9.002 4.632 1.00 0.00 C ATOM 599 C HIS A 43 2.096 -9.359 3.185 1.00 0.00 C ATOM 600 O HIS A 43 3.199 -9.814 2.884 1.00 0.00 O ATOM 601 CB HIS A 43 2.892 -9.475 5.553 1.00 0.00 C ATOM 602 CG HIS A 43 2.495 -9.544 6.996 1.00 0.00 C ATOM 603 ND1 HIS A 43 2.532 -10.710 7.732 1.00 0.00 N ATOM 604 CD2 HIS A 43 2.052 -8.583 7.839 1.00 0.00 C ATOM 605 CE1 HIS A 43 2.128 -10.463 8.965 1.00 0.00 C ATOM 606 NE2 HIS A 43 1.831 -9.179 9.056 1.00 0.00 N ATOM 0 H HIS A 43 -0.113 -8.965 5.558 1.00 0.00 H new ATOM 0 HA HIS A 43 1.677 -7.919 4.709 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.226 -10.461 5.229 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.743 -8.801 5.450 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.900 -7.541 7.599 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.053 -11.187 9.763 1.00 0.00 H new ATOM 0 HE2 HIS A 43 1.492 -8.707 9.894 1.00 0.00 H new ATOM 614 N GLN A 44 1.131 -9.149 2.295 1.00 0.00 N ATOM 615 CA GLN A 44 1.318 -9.450 0.881 1.00 0.00 C ATOM 616 C GLN A 44 2.404 -8.567 0.275 1.00 0.00 C ATOM 617 O GLN A 44 3.444 -9.056 -0.161 1.00 0.00 O ATOM 618 CB GLN A 44 0.005 -9.259 0.119 1.00 0.00 C ATOM 619 CG GLN A 44 -0.880 -10.495 0.114 1.00 0.00 C ATOM 620 CD GLN A 44 -2.121 -10.320 -0.739 1.00 0.00 C ATOM 621 OE1 GLN A 44 -2.079 -10.490 -1.958 1.00 0.00 O ATOM 622 NE2 GLN A 44 -3.235 -9.979 -0.102 1.00 0.00 N ATOM 0 H GLN A 44 0.212 -8.772 2.528 1.00 0.00 H new ATOM 0 HA GLN A 44 1.632 -10.490 0.796 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.546 -8.430 0.563 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.229 -8.978 -0.910 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.307 -11.346 -0.255 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.176 -10.729 1.136 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.224 -9.848 0.910 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.101 -9.848 -0.624 1.00 0.00 H new ATOM 631 N GLY A 45 2.153 -7.261 0.252 1.00 0.00 N ATOM 632 CA GLY A 45 3.119 -6.330 -0.302 1.00 0.00 C ATOM 633 C GLY A 45 3.349 -5.131 0.595 1.00 0.00 C ATOM 634 O GLY A 45 3.216 -5.225 1.815 1.00 0.00 O ATOM 0 H GLY A 45 1.299 -6.832 0.607 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.065 -6.846 -0.463 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.772 -5.989 -1.277 1.00 0.00 H new ATOM 638 N MET A 46 3.698 -4.000 -0.009 1.00 0.00 N ATOM 639 CA MET A 46 3.948 -2.776 0.744 1.00 0.00 C ATOM 640 C MET A 46 3.285 -1.578 0.072 1.00 0.00 C ATOM 641 O MET A 46 3.404 -1.387 -1.138 1.00 0.00 O ATOM 642 CB MET A 46 5.453 -2.533 0.877 1.00 0.00 C ATOM 643 CG MET A 46 6.243 -3.785 1.220 1.00 0.00 C ATOM 644 SD MET A 46 6.242 -4.145 2.987 1.00 0.00 S ATOM 645 CE MET A 46 7.040 -2.677 3.632 1.00 0.00 C ATOM 0 H MET A 46 3.814 -3.905 -1.018 1.00 0.00 H new ATOM 0 HA MET A 46 3.517 -2.896 1.738 1.00 0.00 H new ATOM 0 HB2 MET A 46 5.830 -2.120 -0.059 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.625 -1.782 1.648 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.823 -4.634 0.680 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.271 -3.666 0.878 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.448 -2.889 4.620 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.847 -2.378 2.963 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.312 -1.869 3.705 1.00 0.00 H new ATOM 655 N LYS A 47 2.585 -0.774 0.865 1.00 0.00 N ATOM 656 CA LYS A 47 1.902 0.406 0.348 1.00 0.00 C ATOM 657 C LYS A 47 2.432 1.674 1.010 1.00 0.00 C ATOM 658 O LYS A 47 2.396 1.810 2.233 1.00 0.00 O ATOM 659 CB LYS A 47 0.394 0.290 0.578 1.00 0.00 C ATOM 660 CG LYS A 47 -0.371 1.561 0.250 1.00 0.00 C ATOM 661 CD LYS A 47 -1.770 1.255 -0.259 1.00 0.00 C ATOM 662 CE LYS A 47 -2.643 0.659 0.835 1.00 0.00 C ATOM 663 NZ LYS A 47 -4.081 0.997 0.642 1.00 0.00 N ATOM 0 H LYS A 47 2.476 -0.918 1.869 1.00 0.00 H new ATOM 0 HA LYS A 47 2.096 0.467 -0.723 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.004 -0.526 -0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.213 0.026 1.620 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.436 2.188 1.140 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.174 2.131 -0.502 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.230 2.169 -0.635 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.710 0.560 -1.097 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.523 -0.424 0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.310 1.027 1.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.643 0.573 1.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.200 2.030 0.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.405 0.624 -0.273 1.00 0.00 H new ATOM 677 N CYS A 48 2.921 2.602 0.194 1.00 0.00 N ATOM 678 CA CYS A 48 3.457 3.860 0.699 1.00 0.00 C ATOM 679 C CYS A 48 2.364 4.684 1.375 1.00 0.00 C ATOM 680 O CYS A 48 1.176 4.403 1.221 1.00 0.00 O ATOM 681 CB CYS A 48 4.087 4.664 -0.440 1.00 0.00 C ATOM 682 SG CYS A 48 5.143 6.040 0.118 1.00 0.00 S ATOM 0 H CYS A 48 2.957 2.506 -0.821 1.00 0.00 H new ATOM 0 HA CYS A 48 4.224 3.629 1.439 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.681 3.992 -1.060 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.293 5.062 -1.072 1.00 0.00 H new ATOM 687 N ASP A 49 2.776 5.702 2.122 1.00 0.00 N ATOM 688 CA ASP A 49 1.834 6.569 2.820 1.00 0.00 C ATOM 689 C ASP A 49 1.752 7.936 2.148 1.00 0.00 C ATOM 690 O ASP A 49 0.952 8.786 2.541 1.00 0.00 O ATOM 691 CB ASP A 49 2.245 6.730 4.285 1.00 0.00 C ATOM 692 CG ASP A 49 1.177 7.415 5.114 1.00 0.00 C ATOM 693 OD1 ASP A 49 -0.005 7.029 4.995 1.00 0.00 O ATOM 694 OD2 ASP A 49 1.522 8.338 5.882 1.00 0.00 O ATOM 0 H ASP A 49 3.756 5.947 2.260 1.00 0.00 H new ATOM 0 HA ASP A 49 0.849 6.104 2.776 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.457 5.749 4.710 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.168 7.307 4.339 1.00 0.00 H new ATOM 699 N THR A 50 2.585 8.141 1.133 1.00 0.00 N ATOM 700 CA THR A 50 2.609 9.405 0.408 1.00 0.00 C ATOM 701 C THR A 50 2.264 9.202 -1.063 1.00 0.00 C ATOM 702 O THR A 50 1.581 10.026 -1.671 1.00 0.00 O ATOM 703 CB THR A 50 3.986 10.087 0.511 1.00 0.00 C ATOM 704 OG1 THR A 50 4.044 11.213 -0.372 1.00 0.00 O ATOM 705 CG2 THR A 50 5.100 9.109 0.167 1.00 0.00 C ATOM 0 H THR A 50 3.252 7.448 0.794 1.00 0.00 H new ATOM 0 HA THR A 50 1.859 10.047 0.869 1.00 0.00 H new ATOM 0 HB THR A 50 4.123 10.425 1.538 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.922 11.641 -0.299 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.064 9.612 0.246 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.072 8.268 0.859 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.963 8.746 -0.851 1.00 0.00 H new ATOM 713 N CYS A 51 2.740 8.098 -1.630 1.00 0.00 N ATOM 714 CA CYS A 51 2.482 7.785 -3.031 1.00 0.00 C ATOM 715 C CYS A 51 1.661 6.506 -3.160 1.00 0.00 C ATOM 716 O CYS A 51 1.343 6.069 -4.266 1.00 0.00 O ATOM 717 CB CYS A 51 3.801 7.637 -3.793 1.00 0.00 C ATOM 718 SG CYS A 51 4.718 6.112 -3.402 1.00 0.00 S ATOM 0 H CYS A 51 3.307 7.405 -1.141 1.00 0.00 H new ATOM 0 HA CYS A 51 1.911 8.607 -3.462 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.595 7.660 -4.863 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.434 8.496 -3.572 1.00 0.00 H new ATOM 723 N ASP A 52 1.321 5.910 -2.022 1.00 0.00 N ATOM 724 CA ASP A 52 0.536 4.682 -2.007 1.00 0.00 C ATOM 725 C ASP A 52 0.861 3.814 -3.219 1.00 0.00 C ATOM 726 O ASP A 52 -0.031 3.424 -3.972 1.00 0.00 O ATOM 727 CB ASP A 52 -0.959 5.007 -1.983 1.00 0.00 C ATOM 728 CG ASP A 52 -1.293 6.253 -2.779 1.00 0.00 C ATOM 729 OD1 ASP A 52 -1.051 7.366 -2.267 1.00 0.00 O ATOM 730 OD2 ASP A 52 -1.797 6.115 -3.913 1.00 0.00 O ATOM 0 H ASP A 52 1.577 6.258 -1.098 1.00 0.00 H new ATOM 0 HA ASP A 52 0.794 4.127 -1.105 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.518 4.162 -2.385 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.282 5.141 -0.951 1.00 0.00 H new ATOM 735 N MET A 53 2.143 3.517 -3.401 1.00 0.00 N ATOM 736 CA MET A 53 2.585 2.696 -4.522 1.00 0.00 C ATOM 737 C MET A 53 2.706 1.232 -4.109 1.00 0.00 C ATOM 738 O MET A 53 3.559 0.875 -3.298 1.00 0.00 O ATOM 739 CB MET A 53 3.929 3.200 -5.053 1.00 0.00 C ATOM 740 CG MET A 53 4.237 2.733 -6.466 1.00 0.00 C ATOM 741 SD MET A 53 5.768 3.435 -7.111 1.00 0.00 S ATOM 742 CE MET A 53 6.930 2.130 -6.719 1.00 0.00 C ATOM 0 H MET A 53 2.894 3.832 -2.787 1.00 0.00 H new ATOM 0 HA MET A 53 1.838 2.772 -5.312 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.934 4.290 -5.030 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.723 2.863 -4.387 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.307 1.645 -6.478 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.411 3.006 -7.123 1.00 0.00 H new ATOM 0 HE1 MET A 53 7.943 2.532 -6.720 1.00 0.00 H new ATOM 0 HE2 MET A 53 6.702 1.723 -5.734 1.00 0.00 H new ATOM 0 HE3 MET A 53 6.853 1.339 -7.465 1.00 0.00 H new ATOM 752 N ASN A 54 1.845 0.390 -4.672 1.00 0.00 N ATOM 753 CA ASN A 54 1.855 -1.035 -4.361 1.00 0.00 C ATOM 754 C ASN A 54 3.037 -1.729 -5.031 1.00 0.00 C ATOM 755 O ASN A 54 3.218 -1.637 -6.246 1.00 0.00 O ATOM 756 CB ASN A 54 0.545 -1.685 -4.811 1.00 0.00 C ATOM 757 CG ASN A 54 -0.663 -0.820 -4.507 1.00 0.00 C ATOM 758 OD1 ASN A 54 -0.823 -0.328 -3.390 1.00 0.00 O ATOM 759 ND2 ASN A 54 -1.521 -0.632 -5.503 1.00 0.00 N ATOM 0 H ASN A 54 1.132 0.670 -5.346 1.00 0.00 H new ATOM 0 HA ASN A 54 1.956 -1.146 -3.281 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.589 -1.880 -5.883 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.432 -2.649 -4.316 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.353 -0.060 -5.358 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.348 -1.059 -6.413 1.00 0.00 H new ATOM 766 N VAL A 55 3.838 -2.425 -4.231 1.00 0.00 N ATOM 767 CA VAL A 55 5.002 -3.137 -4.746 1.00 0.00 C ATOM 768 C VAL A 55 5.377 -4.305 -3.840 1.00 0.00 C ATOM 769 O VAL A 55 5.358 -4.185 -2.615 1.00 0.00 O ATOM 770 CB VAL A 55 6.216 -2.201 -4.887 1.00 0.00 C ATOM 771 CG1 VAL A 55 5.974 -1.174 -5.983 1.00 0.00 C ATOM 772 CG2 VAL A 55 6.518 -1.517 -3.563 1.00 0.00 C ATOM 0 H VAL A 55 3.702 -2.511 -3.224 1.00 0.00 H new ATOM 0 HA VAL A 55 4.730 -3.517 -5.731 1.00 0.00 H new ATOM 0 HB VAL A 55 7.083 -2.799 -5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.843 -0.521 -6.068 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.810 -1.686 -6.931 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.095 -0.578 -5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.379 -0.859 -3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.654 -0.931 -3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.738 -2.270 -2.806 1.00 0.00 H new ATOM 782 N HIS A 56 5.719 -5.435 -4.451 1.00 0.00 N ATOM 783 CA HIS A 56 6.100 -6.625 -3.699 1.00 0.00 C ATOM 784 C HIS A 56 7.029 -6.264 -2.544 1.00 0.00 C ATOM 785 O HIS A 56 7.739 -5.260 -2.595 1.00 0.00 O ATOM 786 CB HIS A 56 6.782 -7.638 -4.619 1.00 0.00 C ATOM 787 CG HIS A 56 5.844 -8.301 -5.581 1.00 0.00 C ATOM 788 ND1 HIS A 56 5.644 -7.850 -6.868 1.00 0.00 N ATOM 789 CD2 HIS A 56 5.051 -9.388 -5.436 1.00 0.00 C ATOM 790 CE1 HIS A 56 4.766 -8.631 -7.474 1.00 0.00 C ATOM 791 NE2 HIS A 56 4.391 -9.572 -6.627 1.00 0.00 N ATOM 0 H HIS A 56 5.740 -5.551 -5.464 1.00 0.00 H new ATOM 0 HA HIS A 56 5.194 -7.070 -3.288 1.00 0.00 H new ATOM 0 HB2 HIS A 56 7.569 -7.134 -5.180 1.00 0.00 H new ATOM 0 HB3 HIS A 56 7.265 -8.402 -4.010 1.00 0.00 H new ATOM 0 HD2 HIS A 56 4.955 -9.997 -4.549 1.00 0.00 H new ATOM 0 HE1 HIS A 56 4.415 -8.518 -8.489 1.00 0.00 H new ATOM 0 HE2 HIS A 56 3.720 -10.315 -6.825 1.00 0.00 H new ATOM 799 N LYS A 57 7.017 -7.088 -1.502 1.00 0.00 N ATOM 800 CA LYS A 57 7.858 -6.857 -0.334 1.00 0.00 C ATOM 801 C LYS A 57 9.336 -6.895 -0.710 1.00 0.00 C ATOM 802 O LYS A 57 10.163 -6.237 -0.080 1.00 0.00 O ATOM 803 CB LYS A 57 7.568 -7.904 0.744 1.00 0.00 C ATOM 804 CG LYS A 57 7.724 -7.378 2.161 1.00 0.00 C ATOM 805 CD LYS A 57 9.178 -7.086 2.491 1.00 0.00 C ATOM 806 CE LYS A 57 9.458 -7.258 3.976 1.00 0.00 C ATOM 807 NZ LYS A 57 9.340 -8.680 4.402 1.00 0.00 N ATOM 0 H LYS A 57 6.433 -7.923 -1.443 1.00 0.00 H new ATOM 0 HA LYS A 57 7.627 -5.867 0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.552 -8.276 0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.238 -8.752 0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.134 -6.469 2.280 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.330 -8.109 2.867 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.823 -7.753 1.918 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.423 -6.068 2.189 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.460 -6.894 4.201 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.761 -6.648 4.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.919 -8.837 5.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.346 -8.897 4.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.673 -9.300 3.637 1.00 0.00 H new ATOM 821 N GLN A 58 9.659 -7.669 -1.742 1.00 0.00 N ATOM 822 CA GLN A 58 11.037 -7.791 -2.202 1.00 0.00 C ATOM 823 C GLN A 58 11.334 -6.782 -3.306 1.00 0.00 C ATOM 824 O GLN A 58 12.494 -6.519 -3.626 1.00 0.00 O ATOM 825 CB GLN A 58 11.305 -9.210 -2.706 1.00 0.00 C ATOM 826 CG GLN A 58 10.597 -9.536 -4.011 1.00 0.00 C ATOM 827 CD GLN A 58 9.219 -10.129 -3.796 1.00 0.00 C ATOM 828 OE1 GLN A 58 8.701 -10.136 -2.679 1.00 0.00 O ATOM 829 NE2 GLN A 58 8.616 -10.631 -4.867 1.00 0.00 N ATOM 0 H GLN A 58 8.986 -8.220 -2.274 1.00 0.00 H new ATOM 0 HA GLN A 58 11.695 -7.583 -1.358 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.378 -9.342 -2.842 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.990 -9.923 -1.944 1.00 0.00 H new ATOM 0 HG2 GLN A 58 10.508 -8.628 -4.608 1.00 0.00 H new ATOM 0 HG3 GLN A 58 11.204 -10.237 -4.584 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.082 -10.604 -5.774 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.687 -11.043 -4.783 1.00 0.00 H new ATOM 838 N CYS A 59 10.279 -6.220 -3.887 1.00 0.00 N ATOM 839 CA CYS A 59 10.426 -5.241 -4.957 1.00 0.00 C ATOM 840 C CYS A 59 10.888 -3.896 -4.403 1.00 0.00 C ATOM 841 O CYS A 59 11.594 -3.145 -5.076 1.00 0.00 O ATOM 842 CB CYS A 59 9.102 -5.069 -5.704 1.00 0.00 C ATOM 843 SG CYS A 59 8.921 -6.155 -7.156 1.00 0.00 S ATOM 0 H CYS A 59 9.313 -6.426 -3.634 1.00 0.00 H new ATOM 0 HA CYS A 59 11.182 -5.608 -5.651 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.280 -5.262 -5.014 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.011 -4.032 -6.026 1.00 0.00 H new ATOM 848 N VAL A 60 10.485 -3.599 -3.172 1.00 0.00 N ATOM 849 CA VAL A 60 10.858 -2.346 -2.527 1.00 0.00 C ATOM 850 C VAL A 60 12.370 -2.148 -2.543 1.00 0.00 C ATOM 851 O VAL A 60 12.860 -1.023 -2.446 1.00 0.00 O ATOM 852 CB VAL A 60 10.361 -2.295 -1.070 1.00 0.00 C ATOM 853 CG1 VAL A 60 8.875 -2.613 -1.001 1.00 0.00 C ATOM 854 CG2 VAL A 60 11.160 -3.253 -0.200 1.00 0.00 C ATOM 0 H VAL A 60 9.900 -4.209 -2.601 1.00 0.00 H new ATOM 0 HA VAL A 60 10.383 -1.545 -3.094 1.00 0.00 H new ATOM 0 HB VAL A 60 10.510 -1.285 -0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.542 -2.572 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.319 -1.883 -1.590 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.698 -3.612 -1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.795 -3.203 0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.045 -4.269 -0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.213 -2.974 -0.224 1.00 0.00 H new ATOM 864 N ILE A 61 13.103 -3.249 -2.667 1.00 0.00 N ATOM 865 CA ILE A 61 14.560 -3.197 -2.698 1.00 0.00 C ATOM 866 C ILE A 61 15.061 -2.623 -4.019 1.00 0.00 C ATOM 867 O ILE A 61 16.154 -2.064 -4.089 1.00 0.00 O ATOM 868 CB ILE A 61 15.178 -4.592 -2.491 1.00 0.00 C ATOM 869 CG1 ILE A 61 16.666 -4.470 -2.157 1.00 0.00 C ATOM 870 CG2 ILE A 61 14.976 -5.451 -3.730 1.00 0.00 C ATOM 871 CD1 ILE A 61 17.186 -5.597 -1.292 1.00 0.00 C ATOM 0 H ILE A 61 12.712 -4.188 -2.748 1.00 0.00 H new ATOM 0 HA ILE A 61 14.870 -2.546 -1.880 1.00 0.00 H new ATOM 0 HB ILE A 61 14.675 -5.075 -1.653 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.237 -4.442 -3.085 1.00 0.00 H new ATOM 0 HG13 ILE A 61 16.839 -3.522 -1.647 1.00 0.00 H new ATOM 0 HG21 ILE A 61 15.419 -6.434 -3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 61 13.910 -5.561 -3.926 1.00 0.00 H new ATOM 0 HG23 ILE A 61 15.455 -4.974 -4.585 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.247 -5.445 -1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 61 16.641 -5.613 -0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 61 17.045 -6.547 -1.808 1.00 0.00 H new ATOM 883 N ASN A 62 14.252 -2.764 -5.064 1.00 0.00 N ATOM 884 CA ASN A 62 14.613 -2.258 -6.384 1.00 0.00 C ATOM 885 C ASN A 62 14.208 -0.795 -6.535 1.00 0.00 C ATOM 886 O ASN A 62 14.941 0.007 -7.114 1.00 0.00 O ATOM 887 CB ASN A 62 13.947 -3.098 -7.475 1.00 0.00 C ATOM 888 CG ASN A 62 14.663 -4.414 -7.710 1.00 0.00 C ATOM 889 OD1 ASN A 62 15.516 -4.521 -8.592 1.00 0.00 O ATOM 890 ND2 ASN A 62 14.319 -5.424 -6.919 1.00 0.00 N ATOM 0 H ASN A 62 13.343 -3.224 -5.023 1.00 0.00 H new ATOM 0 HA ASN A 62 15.695 -2.330 -6.490 1.00 0.00 H new ATOM 0 HB2 ASN A 62 12.912 -3.295 -7.196 1.00 0.00 H new ATOM 0 HB3 ASN A 62 13.924 -2.529 -8.404 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.767 -6.334 -7.029 1.00 0.00 H new ATOM 0 HD22 ASN A 62 13.607 -5.290 -6.201 1.00 0.00 H new ATOM 897 N VAL A 63 13.036 -0.453 -6.009 1.00 0.00 N ATOM 898 CA VAL A 63 12.534 0.913 -6.083 1.00 0.00 C ATOM 899 C VAL A 63 13.561 1.906 -5.552 1.00 0.00 C ATOM 900 O VAL A 63 14.216 1.676 -4.535 1.00 0.00 O ATOM 901 CB VAL A 63 11.224 1.074 -5.289 1.00 0.00 C ATOM 902 CG1 VAL A 63 10.697 2.496 -5.409 1.00 0.00 C ATOM 903 CG2 VAL A 63 10.185 0.070 -5.767 1.00 0.00 C ATOM 0 H VAL A 63 12.416 -1.104 -5.527 1.00 0.00 H new ATOM 0 HA VAL A 63 12.341 1.122 -7.135 1.00 0.00 H new ATOM 0 HB VAL A 63 11.431 0.877 -4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.771 2.590 -4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.437 3.193 -5.015 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.505 2.726 -6.457 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.266 0.198 -5.195 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.980 0.234 -6.825 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.564 -0.942 -5.623 1.00 0.00 H new ATOM 913 N PRO A 64 13.709 3.039 -6.256 1.00 0.00 N ATOM 914 CA PRO A 64 14.655 4.091 -5.874 1.00 0.00 C ATOM 915 C PRO A 64 14.230 4.820 -4.604 1.00 0.00 C ATOM 916 O PRO A 64 13.089 5.266 -4.486 1.00 0.00 O ATOM 917 CB PRO A 64 14.629 5.044 -7.072 1.00 0.00 C ATOM 918 CG PRO A 64 13.294 4.830 -7.697 1.00 0.00 C ATOM 919 CD PRO A 64 12.962 3.379 -7.479 1.00 0.00 C ATOM 0 HA PRO A 64 15.644 3.689 -5.653 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.757 6.080 -6.757 1.00 0.00 H new ATOM 0 HB3 PRO A 64 15.434 4.822 -7.772 1.00 0.00 H new ATOM 0 HG2 PRO A 64 12.542 5.475 -7.242 1.00 0.00 H new ATOM 0 HG3 PRO A 64 13.318 5.069 -8.760 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.890 3.227 -7.351 1.00 0.00 H new ATOM 0 HD3 PRO A 64 13.273 2.764 -8.324 1.00 0.00 H new ATOM 927 N SER A 65 15.155 4.938 -3.657 1.00 0.00 N ATOM 928 CA SER A 65 14.874 5.610 -2.394 1.00 0.00 C ATOM 929 C SER A 65 13.893 6.761 -2.597 1.00 0.00 C ATOM 930 O SER A 65 13.023 7.006 -1.760 1.00 0.00 O ATOM 931 CB SER A 65 16.170 6.133 -1.771 1.00 0.00 C ATOM 932 OG SER A 65 17.066 5.071 -1.490 1.00 0.00 O ATOM 0 H SER A 65 16.105 4.577 -3.740 1.00 0.00 H new ATOM 0 HA SER A 65 14.421 4.885 -1.718 1.00 0.00 H new ATOM 0 HB2 SER A 65 16.643 6.842 -2.450 1.00 0.00 H new ATOM 0 HB3 SER A 65 15.943 6.674 -0.852 1.00 0.00 H new ATOM 0 HG SER A 65 17.887 5.432 -1.094 1.00 0.00 H new ATOM 938 N LEU A 66 14.040 7.464 -3.714 1.00 0.00 N ATOM 939 CA LEU A 66 13.168 8.590 -4.030 1.00 0.00 C ATOM 940 C LEU A 66 11.701 8.177 -3.967 1.00 0.00 C ATOM 941 O LEU A 66 11.378 6.989 -3.988 1.00 0.00 O ATOM 942 CB LEU A 66 13.496 9.141 -5.419 1.00 0.00 C ATOM 943 CG LEU A 66 14.979 9.364 -5.720 1.00 0.00 C ATOM 944 CD1 LEU A 66 15.162 9.901 -7.131 1.00 0.00 C ATOM 945 CD2 LEU A 66 15.592 10.315 -4.702 1.00 0.00 C ATOM 0 H LEU A 66 14.755 7.274 -4.416 1.00 0.00 H new ATOM 0 HA LEU A 66 13.339 9.370 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.094 8.455 -6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.974 10.090 -5.544 1.00 0.00 H new ATOM 0 HG LEU A 66 15.493 8.406 -5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 66 16.223 10.054 -7.327 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.760 9.185 -7.848 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.635 10.850 -7.231 1.00 0.00 H new ATOM 0 HD21 LEU A 66 16.647 10.462 -4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 66 15.075 11.274 -4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 66 15.494 9.891 -3.703 1.00 0.00 H new ATOM 957 N CYS A 67 10.816 9.166 -3.892 1.00 0.00 N ATOM 958 CA CYS A 67 9.383 8.907 -3.828 1.00 0.00 C ATOM 959 C CYS A 67 8.591 10.098 -4.358 1.00 0.00 C ATOM 960 O CYS A 67 9.097 11.218 -4.415 1.00 0.00 O ATOM 961 CB CYS A 67 8.963 8.599 -2.390 1.00 0.00 C ATOM 962 SG CYS A 67 7.160 8.567 -2.133 1.00 0.00 S ATOM 0 H CYS A 67 11.067 10.155 -3.874 1.00 0.00 H new ATOM 0 HA CYS A 67 9.167 8.042 -4.455 1.00 0.00 H new ATOM 0 HB2 CYS A 67 9.378 7.633 -2.101 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.401 9.345 -1.727 1.00 0.00 H new ATOM 967 N GLY A 68 7.343 9.848 -4.744 1.00 0.00 N ATOM 968 CA GLY A 68 6.501 10.909 -5.263 1.00 0.00 C ATOM 969 C GLY A 68 7.036 11.496 -6.554 1.00 0.00 C ATOM 970 O GLY A 68 6.968 12.705 -6.770 1.00 0.00 O ATOM 0 H GLY A 68 6.901 8.930 -4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.497 10.521 -5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.416 11.699 -4.517 1.00 0.00 H new ATOM 974 N MET A 69 7.573 10.637 -7.415 1.00 0.00 N ATOM 975 CA MET A 69 8.123 11.077 -8.691 1.00 0.00 C ATOM 976 C MET A 69 7.085 11.858 -9.491 1.00 0.00 C ATOM 977 O MET A 69 7.427 12.747 -10.270 1.00 0.00 O ATOM 978 CB MET A 69 8.611 9.876 -9.503 1.00 0.00 C ATOM 979 CG MET A 69 9.813 10.183 -10.381 1.00 0.00 C ATOM 980 SD MET A 69 11.198 10.866 -9.450 1.00 0.00 S ATOM 981 CE MET A 69 11.306 9.696 -8.098 1.00 0.00 C ATOM 0 H MET A 69 7.639 9.632 -7.252 1.00 0.00 H new ATOM 0 HA MET A 69 8.968 11.735 -8.485 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.868 9.066 -8.820 1.00 0.00 H new ATOM 0 HB3 MET A 69 7.795 9.517 -10.131 1.00 0.00 H new ATOM 0 HG2 MET A 69 10.133 9.270 -10.884 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.519 10.889 -11.158 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.321 9.692 -7.701 1.00 0.00 H new ATOM 0 HE2 MET A 69 10.609 9.984 -7.311 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.053 8.699 -8.459 1.00 0.00 H new ATOM 991 N ASP A 70 5.816 11.519 -9.292 1.00 0.00 N ATOM 992 CA ASP A 70 4.727 12.189 -9.994 1.00 0.00 C ATOM 993 C ASP A 70 4.226 13.390 -9.200 1.00 0.00 C ATOM 994 O ASP A 70 4.581 13.569 -8.034 1.00 0.00 O ATOM 995 CB ASP A 70 3.577 11.212 -10.246 1.00 0.00 C ATOM 996 CG ASP A 70 3.845 10.293 -11.422 1.00 0.00 C ATOM 997 OD1 ASP A 70 3.977 10.802 -12.554 1.00 0.00 O ATOM 998 OD2 ASP A 70 3.921 9.065 -11.209 1.00 0.00 O ATOM 0 H ASP A 70 5.516 10.785 -8.651 1.00 0.00 H new ATOM 0 HA ASP A 70 5.109 12.544 -10.951 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.411 10.613 -9.351 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.661 11.773 -10.429 1.00 0.00 H new ATOM 1003 N HIS A 71 3.399 14.213 -9.838 1.00 0.00 N ATOM 1004 CA HIS A 71 2.849 15.398 -9.190 1.00 0.00 C ATOM 1005 C HIS A 71 1.648 15.035 -8.321 1.00 0.00 C ATOM 1006 O HIS A 71 0.883 14.128 -8.649 1.00 0.00 O ATOM 1007 CB HIS A 71 2.440 16.434 -10.238 1.00 0.00 C ATOM 1008 CG HIS A 71 3.558 17.341 -10.652 1.00 0.00 C ATOM 1009 ND1 HIS A 71 4.003 17.441 -11.954 1.00 0.00 N ATOM 1010 CD2 HIS A 71 4.321 18.193 -9.929 1.00 0.00 C ATOM 1011 CE1 HIS A 71 4.992 18.314 -12.012 1.00 0.00 C ATOM 1012 NE2 HIS A 71 5.204 18.785 -10.797 1.00 0.00 N ATOM 0 H HIS A 71 3.095 14.081 -10.803 1.00 0.00 H new ATOM 0 HA HIS A 71 3.622 15.824 -8.550 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.058 15.917 -11.118 1.00 0.00 H new ATOM 0 HB3 HIS A 71 1.622 17.036 -9.842 1.00 0.00 H new ATOM 0 HD2 HIS A 71 4.249 18.374 -8.867 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.535 18.595 -12.902 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.910 19.477 -10.544 1.00 0.00 H new ATOM 1020 N THR A 72 1.491 15.749 -7.211 1.00 0.00 N ATOM 1021 CA THR A 72 0.385 15.501 -6.293 1.00 0.00 C ATOM 1022 C THR A 72 -0.468 16.750 -6.109 1.00 0.00 C ATOM 1023 O THR A 72 0.054 17.862 -6.026 1.00 0.00 O ATOM 1024 CB THR A 72 0.892 15.032 -4.916 1.00 0.00 C ATOM 1025 OG1 THR A 72 -0.207 14.583 -4.116 1.00 0.00 O ATOM 1026 CG2 THR A 72 1.624 16.155 -4.198 1.00 0.00 C ATOM 0 H THR A 72 2.115 16.503 -6.926 1.00 0.00 H new ATOM 0 HA THR A 72 -0.222 14.712 -6.737 1.00 0.00 H new ATOM 0 HB THR A 72 1.588 14.207 -5.071 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.124 14.285 -3.243 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.973 15.800 -3.228 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.478 16.474 -4.796 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.947 16.997 -4.054 1.00 0.00 H new ATOM 1034 N GLU A 73 -1.782 16.560 -6.046 1.00 0.00 N ATOM 1035 CA GLU A 73 -2.707 17.674 -5.872 1.00 0.00 C ATOM 1036 C GLU A 73 -2.983 17.925 -4.392 1.00 0.00 C ATOM 1037 O GLU A 73 -2.717 19.010 -3.874 1.00 0.00 O ATOM 1038 CB GLU A 73 -4.019 17.397 -6.608 1.00 0.00 C ATOM 1039 CG GLU A 73 -4.862 18.640 -6.840 1.00 0.00 C ATOM 1040 CD GLU A 73 -5.808 18.926 -5.690 1.00 0.00 C ATOM 1041 OE1 GLU A 73 -6.306 17.959 -5.076 1.00 0.00 O ATOM 1042 OE2 GLU A 73 -6.050 20.117 -5.404 1.00 0.00 O ATOM 0 H GLU A 73 -2.230 15.646 -6.113 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.245 18.566 -6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.796 16.935 -7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.601 16.675 -6.035 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.205 19.497 -6.987 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.438 18.518 -7.757 1.00 0.00 H new ATOM 1049 N LYS A 74 -3.520 16.914 -3.717 1.00 0.00 N ATOM 1050 CA LYS A 74 -3.833 17.023 -2.298 1.00 0.00 C ATOM 1051 C LYS A 74 -2.665 17.629 -1.527 1.00 0.00 C ATOM 1052 O LYS A 74 -2.860 18.446 -0.627 1.00 0.00 O ATOM 1053 CB LYS A 74 -4.177 15.646 -1.724 1.00 0.00 C ATOM 1054 CG LYS A 74 -3.124 14.589 -2.007 1.00 0.00 C ATOM 1055 CD LYS A 74 -2.122 14.482 -0.870 1.00 0.00 C ATOM 1056 CE LYS A 74 -1.584 13.066 -0.732 1.00 0.00 C ATOM 1057 NZ LYS A 74 -2.564 12.163 -0.067 1.00 0.00 N ATOM 0 H LYS A 74 -3.747 16.010 -4.131 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.695 17.681 -2.192 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.311 15.734 -0.646 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.130 15.317 -2.138 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.607 13.624 -2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.601 14.833 -2.932 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.296 15.171 -1.046 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.596 14.785 0.064 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.339 12.673 -1.719 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.658 13.084 -0.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.141 11.221 0.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.817 12.551 0.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.419 12.086 -0.654 1.00 0.00 H new ATOM 1071 N ARG A 75 -1.451 17.224 -1.887 1.00 0.00 N ATOM 1072 CA ARG A 75 -0.252 17.728 -1.229 1.00 0.00 C ATOM 1073 C ARG A 75 -0.524 18.030 0.242 1.00 0.00 C ATOM 1074 O ARG A 75 -0.124 19.074 0.756 1.00 0.00 O ATOM 1075 CB ARG A 75 0.251 18.989 -1.935 1.00 0.00 C ATOM 1076 CG ARG A 75 1.634 19.429 -1.483 1.00 0.00 C ATOM 1077 CD ARG A 75 2.280 20.362 -2.495 1.00 0.00 C ATOM 1078 NE ARG A 75 3.596 20.820 -2.056 1.00 0.00 N ATOM 1079 CZ ARG A 75 4.303 21.745 -2.694 1.00 0.00 C ATOM 1080 NH1 ARG A 75 3.824 22.308 -3.795 1.00 0.00 N ATOM 1081 NH2 ARG A 75 5.492 22.109 -2.232 1.00 0.00 N ATOM 0 H ARG A 75 -1.272 16.549 -2.630 1.00 0.00 H new ATOM 0 HA ARG A 75 0.515 16.956 -1.287 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.269 18.811 -3.010 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.455 19.800 -1.758 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.560 19.932 -0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.267 18.553 -1.338 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.376 19.849 -3.452 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.632 21.223 -2.659 1.00 0.00 H new ATOM 0 HE ARG A 75 3.994 20.406 -1.213 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.910 22.031 -4.154 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.369 23.018 -4.283 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.864 21.678 -1.386 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.034 22.820 -2.723 1.00 0.00 H new ATOM 1095 N GLY A 76 -1.208 17.108 0.913 1.00 0.00 N ATOM 1096 CA GLY A 76 -1.522 17.294 2.317 1.00 0.00 C ATOM 1097 C GLY A 76 -0.362 16.935 3.224 1.00 0.00 C ATOM 1098 O GLY A 76 0.763 16.749 2.760 1.00 0.00 O ATOM 0 H GLY A 76 -1.550 16.236 0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.805 18.333 2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.385 16.682 2.577 1.00 0.00 H new ATOM 1102 N ARG A 77 -0.634 16.839 4.521 1.00 0.00 N ATOM 1103 CA ARG A 77 0.396 16.503 5.496 1.00 0.00 C ATOM 1104 C ARG A 77 -0.215 16.262 6.873 1.00 0.00 C ATOM 1105 O ARG A 77 -1.185 16.917 7.255 1.00 0.00 O ATOM 1106 CB ARG A 77 1.437 17.622 5.576 1.00 0.00 C ATOM 1107 CG ARG A 77 2.539 17.357 6.589 1.00 0.00 C ATOM 1108 CD ARG A 77 3.711 16.622 5.958 1.00 0.00 C ATOM 1109 NE ARG A 77 4.898 16.654 6.807 1.00 0.00 N ATOM 1110 CZ ARG A 77 5.064 15.871 7.867 1.00 0.00 C ATOM 1111 NH1 ARG A 77 4.124 15.001 8.207 1.00 0.00 N ATOM 1112 NH2 ARG A 77 6.173 15.959 8.591 1.00 0.00 N ATOM 0 H ARG A 77 -1.560 16.989 4.921 1.00 0.00 H new ATOM 0 HA ARG A 77 0.884 15.585 5.169 1.00 0.00 H new ATOM 0 HB2 ARG A 77 1.885 17.761 4.592 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.936 18.555 5.833 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.884 18.302 7.008 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.141 16.768 7.415 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.429 15.586 5.768 1.00 0.00 H new ATOM 0 HD3 ARG A 77 3.944 17.072 4.993 1.00 0.00 H new ATOM 0 HE ARG A 77 5.640 17.313 6.574 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.270 14.931 7.654 1.00 0.00 H new ATOM 0 HH12 ARG A 77 4.255 14.401 9.022 1.00 0.00 H new ATOM 0 HH21 ARG A 77 6.898 16.628 8.333 1.00 0.00 H new ATOM 0 HH22 ARG A 77 6.300 15.357 9.405 1.00 0.00 H new ATOM 1126 N ILE A 78 0.359 15.319 7.612 1.00 0.00 N ATOM 1127 CA ILE A 78 -0.129 14.992 8.946 1.00 0.00 C ATOM 1128 C ILE A 78 0.861 15.435 10.018 1.00 0.00 C ATOM 1129 O ILE A 78 2.068 15.228 9.886 1.00 0.00 O ATOM 1130 CB ILE A 78 -0.390 13.482 9.097 1.00 0.00 C ATOM 1131 CG1 ILE A 78 -1.472 13.028 8.114 1.00 0.00 C ATOM 1132 CG2 ILE A 78 -0.794 13.153 10.526 1.00 0.00 C ATOM 1133 CD1 ILE A 78 -2.641 13.984 8.020 1.00 0.00 C ATOM 0 H ILE A 78 1.162 14.768 7.310 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.068 15.529 9.078 1.00 0.00 H new ATOM 0 HB ILE A 78 0.531 12.946 8.868 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.028 12.911 7.125 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -1.838 12.047 8.417 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.975 12.082 10.616 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.006 13.444 11.207 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.703 13.697 10.781 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.369 13.599 7.306 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.110 14.082 8.999 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.287 14.960 7.688 1.00 0.00 H new ATOM 1145 N TYR A 79 0.344 16.044 11.079 1.00 0.00 N ATOM 1146 CA TYR A 79 1.183 16.516 12.174 1.00 0.00 C ATOM 1147 C TYR A 79 0.870 15.763 13.463 1.00 0.00 C ATOM 1148 O TYR A 79 -0.035 14.930 13.506 1.00 0.00 O ATOM 1149 CB TYR A 79 0.983 18.018 12.386 1.00 0.00 C ATOM 1150 CG TYR A 79 1.447 18.861 11.219 1.00 0.00 C ATOM 1151 CD1 TYR A 79 0.870 18.721 9.963 1.00 0.00 C ATOM 1152 CD2 TYR A 79 2.462 19.797 11.373 1.00 0.00 C ATOM 1153 CE1 TYR A 79 1.291 19.488 8.894 1.00 0.00 C ATOM 1154 CE2 TYR A 79 2.889 20.569 10.311 1.00 0.00 C ATOM 1155 CZ TYR A 79 2.300 20.411 9.073 1.00 0.00 C ATOM 1156 OH TYR A 79 2.723 21.178 8.012 1.00 0.00 O ATOM 0 H TYR A 79 -0.652 16.223 11.204 1.00 0.00 H new ATOM 0 HA TYR A 79 2.223 16.328 11.908 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.074 18.213 12.567 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.522 18.325 13.282 1.00 0.00 H new ATOM 0 HD1 TYR A 79 0.079 18.000 9.820 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.925 19.923 12.340 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.833 19.366 7.924 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.679 21.292 10.448 1.00 0.00 H new ATOM 0 HH TYR A 79 3.439 21.778 8.307 1.00 0.00 H new ATOM 1166 N LEU A 80 1.626 16.064 14.514 1.00 0.00 N ATOM 1167 CA LEU A 80 1.432 15.417 15.807 1.00 0.00 C ATOM 1168 C LEU A 80 1.618 16.413 16.947 1.00 0.00 C ATOM 1169 O LEU A 80 2.550 17.217 16.937 1.00 0.00 O ATOM 1170 CB LEU A 80 2.408 14.251 15.968 1.00 0.00 C ATOM 1171 CG LEU A 80 3.745 14.581 16.631 1.00 0.00 C ATOM 1172 CD1 LEU A 80 4.505 13.307 16.965 1.00 0.00 C ATOM 1173 CD2 LEU A 80 4.579 15.482 15.732 1.00 0.00 C ATOM 0 H LEU A 80 2.379 16.752 14.496 1.00 0.00 H new ATOM 0 HA LEU A 80 0.412 15.035 15.845 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.918 13.472 16.552 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.608 13.832 14.982 1.00 0.00 H new ATOM 0 HG LEU A 80 3.545 15.114 17.560 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.454 13.562 17.436 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.913 12.699 17.648 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.694 12.745 16.050 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.527 15.706 16.221 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.769 14.976 14.786 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.039 16.410 15.545 1.00 0.00 H new ATOM 1185 N LYS A 81 0.727 16.352 17.931 1.00 0.00 N ATOM 1186 CA LYS A 81 0.795 17.245 19.082 1.00 0.00 C ATOM 1187 C LYS A 81 1.072 16.463 20.362 1.00 0.00 C ATOM 1188 O LYS A 81 0.380 15.494 20.670 1.00 0.00 O ATOM 1189 CB LYS A 81 -0.513 18.027 19.223 1.00 0.00 C ATOM 1190 CG LYS A 81 -0.338 19.393 19.865 1.00 0.00 C ATOM 1191 CD LYS A 81 -0.296 19.295 21.381 1.00 0.00 C ATOM 1192 CE LYS A 81 -0.106 20.661 22.022 1.00 0.00 C ATOM 1193 NZ LYS A 81 -1.283 21.546 21.800 1.00 0.00 N ATOM 0 H LYS A 81 -0.051 15.693 17.954 1.00 0.00 H new ATOM 0 HA LYS A 81 1.615 17.945 18.920 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -0.960 18.153 18.237 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -1.214 17.442 19.818 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.583 19.851 19.503 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -1.158 20.045 19.564 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.221 18.847 21.744 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.517 18.634 21.682 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.061 20.540 23.092 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.786 21.134 21.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.200 22.391 22.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.318 21.834 20.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.154 21.032 22.043 1.00 0.00 H new ATOM 1207 N ALA A 82 2.088 16.892 21.103 1.00 0.00 N ATOM 1208 CA ALA A 82 2.455 16.234 22.351 1.00 0.00 C ATOM 1209 C ALA A 82 1.931 17.010 23.555 1.00 0.00 C ATOM 1210 O ALA A 82 1.829 18.235 23.517 1.00 0.00 O ATOM 1211 CB ALA A 82 3.965 16.074 22.440 1.00 0.00 C ATOM 0 H ALA A 82 2.672 17.693 20.861 1.00 0.00 H new ATOM 0 HA ALA A 82 1.996 15.246 22.360 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.224 15.581 23.377 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.317 15.471 21.603 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.438 17.056 22.403 1.00 0.00 H new ATOM 1217 N GLU A 83 1.600 16.287 24.620 1.00 0.00 N ATOM 1218 CA GLU A 83 1.085 16.910 25.835 1.00 0.00 C ATOM 1219 C GLU A 83 1.984 16.598 27.028 1.00 0.00 C ATOM 1220 O GLU A 83 2.246 15.436 27.336 1.00 0.00 O ATOM 1221 CB GLU A 83 -0.340 16.429 26.116 1.00 0.00 C ATOM 1222 CG GLU A 83 -1.155 17.399 26.955 1.00 0.00 C ATOM 1223 CD GLU A 83 -1.426 18.707 26.236 1.00 0.00 C ATOM 1224 OE1 GLU A 83 -0.483 19.512 26.093 1.00 0.00 O ATOM 1225 OE2 GLU A 83 -2.582 18.924 25.817 1.00 0.00 O ATOM 0 H GLU A 83 1.679 15.271 24.667 1.00 0.00 H new ATOM 0 HA GLU A 83 1.073 17.989 25.683 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.852 16.263 25.168 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.296 15.468 26.628 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.103 16.933 27.224 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.625 17.603 27.885 1.00 0.00 H new ATOM 1232 N VAL A 84 2.453 17.647 27.697 1.00 0.00 N ATOM 1233 CA VAL A 84 3.321 17.487 28.858 1.00 0.00 C ATOM 1234 C VAL A 84 2.571 17.786 30.151 1.00 0.00 C ATOM 1235 O VAL A 84 1.767 18.715 30.213 1.00 0.00 O ATOM 1236 CB VAL A 84 4.554 18.406 28.768 1.00 0.00 C ATOM 1237 CG1 VAL A 84 4.127 19.861 28.640 1.00 0.00 C ATOM 1238 CG2 VAL A 84 5.454 18.210 29.978 1.00 0.00 C ATOM 0 H VAL A 84 2.247 18.616 27.455 1.00 0.00 H new ATOM 0 HA VAL A 84 3.651 16.448 28.865 1.00 0.00 H new ATOM 0 HB VAL A 84 5.121 18.139 27.876 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.011 20.496 28.578 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.526 19.986 27.739 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.537 20.145 29.512 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.320 18.867 29.898 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.900 18.449 30.886 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.788 17.173 30.019 1.00 0.00 H new ATOM 1248 N ALA A 85 2.840 16.991 31.182 1.00 0.00 N ATOM 1249 CA ALA A 85 2.193 17.172 32.475 1.00 0.00 C ATOM 1250 C ALA A 85 3.041 16.590 33.600 1.00 0.00 C ATOM 1251 O ALA A 85 4.035 15.921 33.320 1.00 0.00 O ATOM 1252 CB ALA A 85 0.812 16.533 32.468 1.00 0.00 C ATOM 0 H ALA A 85 3.502 16.216 31.146 1.00 0.00 H new ATOM 0 HA ALA A 85 2.086 18.242 32.653 1.00 0.00 H new ATOM 0 HB1 ALA A 85 0.340 16.676 33.440 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.200 16.998 31.696 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.906 15.466 32.263 1.00 0.00 H new TER 1258 ALA A 85 HETATM 1259 ZN ZN A 201 6.402 6.525 -1.749 1.00 0.00 ZN HETATM 1260 ZN ZN A 401 6.901 -6.576 -7.928 1.00 0.00 ZN