USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 753 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 7 HIS HD1 : A 7 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 104 ZNZN :(H bumps) USER MOD NoAdj-H: A 63 HIS HD1 : A 63 HIS ND1 : A 104 ZNZN :(H bumps) USER MOD Set 1.1: A 69 TYR OH : rot -165:sc= 0.417 USER MOD Set 1.2: A 95 ASN : amide:sc= 0.15 K(o=0.57,f=-8.5!) USER MOD Set 2.1: A 21 CYS SG : rot -70:sc= 0.139! USER MOD Set 2.2: A 24 CYS SG : rot 112:sc= 1.6 USER MOD Set 2.3: A 29 SER OG : rot 110:sc= 0.301 USER MOD Set 2.4: A 45 CYS SG : rot -124:sc= -0.283 USER MOD Set 2.5: A 51 HIS : no HE2:sc= 0.316 K(o=1.9,f=-0.87) USER MOD Set 2.6: A 53 HIS : +bothHN:sc= -0.146! C(o=1.9!,f=-14!) USER MOD Set 3.1: A 46 CYS SG : rot 140:sc= -1.98! USER MOD Set 3.2: A 49 SER OG : rot 100:sc= 0.983 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc=-0.00251 (180deg=-0.00251) USER MOD Single : A 2 THR OG1 : rot -94:sc= 1.22 USER MOD Single : A 3 MET CE :methyl 157:sc= -0.171 (180deg=-0.867) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00472 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -91:sc= -2.05! USER MOD Single : A 26 LYS NZ :NH3+ -162:sc= 1.01 (180deg=0.994) USER MOD Single : A 33 HIS : no HD1:sc= -0.657 X(o=-0.66,f=-0.23) USER MOD Single : A 39 THR OG1 : rot -170:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 1.03 K(o=1,f=-4.5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 141:sc= -0.677 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 61 THR OG1 : rot -168:sc= 0.519 USER MOD Single : A 79 TYR OH : rot -140:sc= -1.15! USER MOD Single : A 84 MET CE :methyl -166:sc= -0.0683 (180deg=-0.426) USER MOD Single : A 88 SER OG : rot -71:sc= 0.788 USER MOD Single : A 91 MET CE :methyl -138:sc= -0.225 (180deg=-2.54!) USER MOD Single : A 92 THR OG1 : rot 71:sc= 1.22 USER MOD Single : A 94 HIS : no HD1:sc= -0.569 K(o=-0.57,f=-2.2!) USER MOD Single : A 101 TYR OH : rot 30:sc=-0.00818 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.203 1.628 0.272 1.00 0.00 N ATOM 2 CA MET A 1 3.283 0.946 -0.474 1.00 0.00 C ATOM 3 C MET A 1 2.730 -0.298 -1.158 1.00 0.00 C ATOM 4 O MET A 1 2.544 -0.315 -2.372 1.00 0.00 O ATOM 5 CB MET A 1 4.435 0.582 0.466 1.00 0.00 C ATOM 6 CG MET A 1 5.661 0.036 -0.246 1.00 0.00 C ATOM 7 SD MET A 1 6.365 1.213 -1.414 1.00 0.00 S ATOM 8 CE MET A 1 7.842 0.331 -1.911 1.00 0.00 C ATOM 0 H1 MET A 1 2.585 2.476 0.737 1.00 0.00 H new ATOM 0 H2 MET A 1 1.447 1.905 -0.387 1.00 0.00 H new ATOM 0 H3 MET A 1 1.817 0.983 0.991 1.00 0.00 H new ATOM 0 HA MET A 1 3.671 1.622 -1.236 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.721 1.467 1.034 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.084 -0.159 1.185 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.416 -0.233 0.493 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.392 -0.879 -0.775 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.395 0.927 -2.637 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.469 0.150 -1.038 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.563 -0.622 -2.361 1.00 0.00 H new ATOM 20 N THR A 2 2.459 -1.336 -0.377 1.00 0.00 N ATOM 21 CA THR A 2 1.787 -2.518 -0.892 1.00 0.00 C ATOM 22 C THR A 2 0.406 -2.633 -0.257 1.00 0.00 C ATOM 23 O THR A 2 0.077 -1.862 0.651 1.00 0.00 O ATOM 24 CB THR A 2 2.596 -3.804 -0.617 1.00 0.00 C ATOM 25 OG1 THR A 2 2.804 -3.966 0.791 1.00 0.00 O ATOM 26 CG2 THR A 2 3.940 -3.763 -1.327 1.00 0.00 C ATOM 0 H THR A 2 2.695 -1.382 0.614 1.00 0.00 H new ATOM 0 HA THR A 2 1.696 -2.409 -1.973 1.00 0.00 H new ATOM 0 HB THR A 2 2.024 -4.649 -1.000 1.00 0.00 H new ATOM 0 HG1 THR A 2 3.670 -3.581 1.040 1.00 0.00 H new ATOM 0 HG21 THR A 2 4.490 -4.680 -1.117 1.00 0.00 H new ATOM 0 HG22 THR A 2 3.781 -3.673 -2.402 1.00 0.00 H new ATOM 0 HG23 THR A 2 4.513 -2.907 -0.972 1.00 0.00 H new ATOM 34 N MET A 3 -0.395 -3.578 -0.733 1.00 0.00 N ATOM 35 CA MET A 3 -1.723 -3.803 -0.177 1.00 0.00 C ATOM 36 C MET A 3 -1.613 -4.428 1.209 1.00 0.00 C ATOM 37 O MET A 3 -2.366 -4.084 2.121 1.00 0.00 O ATOM 38 CB MET A 3 -2.546 -4.708 -1.100 1.00 0.00 C ATOM 39 CG MET A 3 -3.953 -4.984 -0.594 1.00 0.00 C ATOM 40 SD MET A 3 -4.888 -6.062 -1.699 1.00 0.00 S ATOM 41 CE MET A 3 -3.851 -7.523 -1.705 1.00 0.00 C ATOM 0 H MET A 3 -0.148 -4.201 -1.502 1.00 0.00 H new ATOM 0 HA MET A 3 -2.230 -2.842 -0.092 1.00 0.00 H new ATOM 0 HB2 MET A 3 -2.608 -4.246 -2.085 1.00 0.00 H new ATOM 0 HB3 MET A 3 -2.023 -5.656 -1.225 1.00 0.00 H new ATOM 0 HG2 MET A 3 -3.897 -5.442 0.393 1.00 0.00 H new ATOM 0 HG3 MET A 3 -4.485 -4.040 -0.477 1.00 0.00 H new ATOM 0 HE1 MET A 3 -4.448 -8.392 -1.981 1.00 0.00 H new ATOM 0 HE2 MET A 3 -3.044 -7.393 -2.426 1.00 0.00 H new ATOM 0 HE3 MET A 3 -3.429 -7.674 -0.711 1.00 0.00 H new ATOM 51 N GLY A 4 -0.670 -5.347 1.358 1.00 0.00 N ATOM 52 CA GLY A 4 -0.435 -5.962 2.644 1.00 0.00 C ATOM 53 C GLY A 4 -0.272 -7.462 2.550 1.00 0.00 C ATOM 54 O GLY A 4 0.158 -7.991 1.523 1.00 0.00 O ATOM 0 H GLY A 4 -0.063 -5.677 0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.461 -5.530 3.091 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.266 -5.732 3.310 1.00 0.00 H new ATOM 58 N CYS A 5 -0.612 -8.147 3.628 1.00 0.00 N ATOM 59 CA CYS A 5 -0.508 -9.594 3.683 1.00 0.00 C ATOM 60 C CYS A 5 -1.492 -10.136 4.715 1.00 0.00 C ATOM 61 O CYS A 5 -2.091 -9.362 5.461 1.00 0.00 O ATOM 62 CB CYS A 5 0.919 -10.017 4.035 1.00 0.00 C ATOM 63 SG CYS A 5 1.440 -9.587 5.726 1.00 0.00 S ATOM 0 H CYS A 5 -0.965 -7.719 4.484 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.752 -10.005 2.704 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.007 -11.096 3.905 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.607 -9.553 3.328 1.00 0.00 H new ATOM 68 N ARG A 6 -1.645 -11.454 4.776 1.00 0.00 N ATOM 69 CA ARG A 6 -2.599 -12.076 5.697 1.00 0.00 C ATOM 70 C ARG A 6 -2.291 -11.752 7.162 1.00 0.00 C ATOM 71 O ARG A 6 -3.187 -11.759 8.002 1.00 0.00 O ATOM 72 CB ARG A 6 -2.644 -13.594 5.489 1.00 0.00 C ATOM 73 CG ARG A 6 -1.277 -14.254 5.436 1.00 0.00 C ATOM 74 CD ARG A 6 -1.396 -15.761 5.301 1.00 0.00 C ATOM 75 NE ARG A 6 -0.125 -16.378 4.934 1.00 0.00 N ATOM 76 CZ ARG A 6 0.392 -17.446 5.538 1.00 0.00 C ATOM 77 NH1 ARG A 6 -0.220 -17.990 6.585 1.00 0.00 N ATOM 78 NH2 ARG A 6 1.527 -17.963 5.094 1.00 0.00 N ATOM 0 H ARG A 6 -1.123 -12.115 4.201 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.578 -11.655 5.469 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.221 -14.044 6.297 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.175 -13.807 4.561 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.711 -13.855 4.594 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.718 -14.011 6.340 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.745 -16.183 6.243 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.146 -16.000 4.547 1.00 0.00 H new ATOM 0 HE ARG A 6 0.401 -15.964 4.165 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.092 -17.589 6.931 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.182 -18.808 7.042 1.00 0.00 H new ATOM 0 HH21 ARG A 6 2.000 -17.543 4.294 1.00 0.00 H new ATOM 0 HH22 ARG A 6 1.928 -18.781 5.552 1.00 0.00 H new ATOM 92 N HIS A 7 -1.030 -11.453 7.463 1.00 0.00 N ATOM 93 CA HIS A 7 -0.632 -11.118 8.832 1.00 0.00 C ATOM 94 C HIS A 7 -1.268 -9.808 9.294 1.00 0.00 C ATOM 95 O HIS A 7 -1.479 -9.601 10.489 1.00 0.00 O ATOM 96 CB HIS A 7 0.889 -11.012 8.952 1.00 0.00 C ATOM 97 CG HIS A 7 1.614 -12.289 8.679 1.00 0.00 C ATOM 98 ND1 HIS A 7 2.540 -12.375 7.678 1.00 0.00 N ATOM 99 CD2 HIS A 7 1.527 -13.488 9.305 1.00 0.00 C ATOM 100 CE1 HIS A 7 2.998 -13.611 7.708 1.00 0.00 C ATOM 101 NE2 HIS A 7 2.413 -14.327 8.679 1.00 0.00 N ATOM 0 H HIS A 7 -0.269 -11.435 6.784 1.00 0.00 H new ATOM 0 HA HIS A 7 -0.986 -11.925 9.473 1.00 0.00 H new ATOM 0 HB2 HIS A 7 1.245 -10.250 8.259 1.00 0.00 H new ATOM 0 HB3 HIS A 7 1.140 -10.672 9.957 1.00 0.00 H new ATOM 0 HD2 HIS A 7 0.884 -13.735 10.137 1.00 0.00 H new ATOM 0 HE1 HIS A 7 3.749 -13.998 7.035 1.00 0.00 H new ATOM 0 HE2 HIS A 7 2.592 -15.305 8.907 1.00 0.00 H new ATOM 109 N VAL A 8 -1.580 -8.928 8.343 1.00 0.00 N ATOM 110 CA VAL A 8 -2.189 -7.637 8.662 1.00 0.00 C ATOM 111 C VAL A 8 -3.568 -7.850 9.253 1.00 0.00 C ATOM 112 O VAL A 8 -4.049 -7.059 10.062 1.00 0.00 O ATOM 113 CB VAL A 8 -2.315 -6.730 7.422 1.00 0.00 C ATOM 114 CG1 VAL A 8 -2.727 -5.318 7.812 1.00 0.00 C ATOM 115 CG2 VAL A 8 -1.021 -6.718 6.648 1.00 0.00 C ATOM 0 H VAL A 8 -1.422 -9.085 7.348 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.535 -7.143 9.381 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.098 -7.136 6.782 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.808 -4.702 6.916 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.691 -5.347 8.320 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.978 -4.892 8.479 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.125 -6.073 5.775 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.220 -6.341 7.284 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.781 -7.731 6.324 1.00 0.00 H new ATOM 125 N ALA A 9 -4.198 -8.935 8.847 1.00 0.00 N ATOM 126 CA ALA A 9 -5.523 -9.255 9.324 1.00 0.00 C ATOM 127 C ALA A 9 -5.492 -9.654 10.801 1.00 0.00 C ATOM 128 O ALA A 9 -6.530 -9.718 11.460 1.00 0.00 O ATOM 129 CB ALA A 9 -6.137 -10.361 8.480 1.00 0.00 C ATOM 0 H ALA A 9 -3.810 -9.609 8.187 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.144 -8.364 9.231 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.135 -10.591 8.852 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.203 -10.033 7.443 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.513 -11.253 8.540 1.00 0.00 H new ATOM 135 N GLY A 10 -4.293 -9.905 11.318 1.00 0.00 N ATOM 136 CA GLY A 10 -4.151 -10.335 12.694 1.00 0.00 C ATOM 137 C GLY A 10 -3.722 -9.218 13.630 1.00 0.00 C ATOM 138 O GLY A 10 -3.800 -9.369 14.851 1.00 0.00 O ATOM 0 H GLY A 10 -3.416 -9.817 10.805 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.100 -10.745 13.039 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.419 -11.141 12.742 1.00 0.00 H new ATOM 142 N ILE A 11 -3.268 -8.097 13.073 1.00 0.00 N ATOM 143 CA ILE A 11 -2.823 -6.978 13.899 1.00 0.00 C ATOM 144 C ILE A 11 -3.999 -6.086 14.270 1.00 0.00 C ATOM 145 O ILE A 11 -4.987 -5.998 13.537 1.00 0.00 O ATOM 146 CB ILE A 11 -1.722 -6.129 13.224 1.00 0.00 C ATOM 147 CG1 ILE A 11 -2.219 -5.529 11.907 1.00 0.00 C ATOM 148 CG2 ILE A 11 -0.479 -6.976 12.994 1.00 0.00 C ATOM 149 CD1 ILE A 11 -1.238 -4.576 11.259 1.00 0.00 C ATOM 0 H ILE A 11 -3.199 -7.941 12.067 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.390 -7.416 14.799 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.467 -5.304 13.889 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.439 -6.338 11.210 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.156 -5.002 12.090 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.292 -6.370 12.518 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.110 -7.347 13.950 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.727 -7.819 12.349 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.662 -4.193 10.331 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.036 -3.746 11.936 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.308 -5.102 11.043 1.00 0.00 H new ATOM 161 N ARG A 12 -3.884 -5.424 15.405 1.00 0.00 N ATOM 162 CA ARG A 12 -4.976 -4.635 15.950 1.00 0.00 C ATOM 163 C ARG A 12 -4.547 -3.193 16.183 1.00 0.00 C ATOM 164 O ARG A 12 -3.387 -2.835 15.964 1.00 0.00 O ATOM 165 CB ARG A 12 -5.439 -5.257 17.266 1.00 0.00 C ATOM 166 CG ARG A 12 -4.304 -5.450 18.257 1.00 0.00 C ATOM 167 CD ARG A 12 -4.744 -6.242 19.472 1.00 0.00 C ATOM 168 NE ARG A 12 -5.625 -5.482 20.359 1.00 0.00 N ATOM 169 CZ ARG A 12 -5.980 -5.905 21.571 1.00 0.00 C ATOM 170 NH1 ARG A 12 -5.532 -7.072 22.019 1.00 0.00 N ATOM 171 NH2 ARG A 12 -6.770 -5.163 22.338 1.00 0.00 N ATOM 0 H ARG A 12 -3.037 -5.416 15.974 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.796 -4.632 15.232 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.203 -4.621 17.714 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.906 -6.221 17.063 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.478 -5.965 17.767 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.929 -4.477 18.574 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.259 -7.145 19.144 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.864 -6.562 20.029 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.985 -4.585 20.033 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.918 -7.641 21.436 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.801 -7.400 22.947 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.109 -4.262 22.000 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.038 -5.494 23.265 1.00 0.00 H new ATOM 185 N THR A 13 -5.492 -2.373 16.620 1.00 0.00 N ATOM 186 CA THR A 13 -5.207 -1.001 16.991 1.00 0.00 C ATOM 187 C THR A 13 -4.538 -0.983 18.358 1.00 0.00 C ATOM 188 O THR A 13 -5.198 -1.132 19.389 1.00 0.00 O ATOM 189 CB THR A 13 -6.497 -0.172 17.039 1.00 0.00 C ATOM 190 OG1 THR A 13 -7.390 -0.619 16.009 1.00 0.00 O ATOM 191 CG2 THR A 13 -6.201 1.309 16.857 1.00 0.00 C ATOM 0 H THR A 13 -6.471 -2.641 16.726 1.00 0.00 H new ATOM 0 HA THR A 13 -4.544 -0.564 16.244 1.00 0.00 H new ATOM 0 HB THR A 13 -6.961 -0.309 18.016 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.215 -0.091 16.040 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.133 1.874 16.895 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.538 1.648 17.653 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.720 1.468 15.892 1.00 0.00 H new ATOM 199 N VAL A 14 -3.232 -0.820 18.362 1.00 0.00 N ATOM 200 CA VAL A 14 -2.454 -0.989 19.574 1.00 0.00 C ATOM 201 C VAL A 14 -2.125 0.347 20.227 1.00 0.00 C ATOM 202 O VAL A 14 -1.905 1.349 19.550 1.00 0.00 O ATOM 203 CB VAL A 14 -1.159 -1.774 19.291 1.00 0.00 C ATOM 204 CG1 VAL A 14 -1.483 -3.214 18.933 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.356 -1.117 18.175 1.00 0.00 C ATOM 0 H VAL A 14 -2.684 -0.570 17.538 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.067 -1.560 20.271 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.551 -1.765 20.196 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.559 -3.757 18.736 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.010 -3.685 19.762 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.113 -3.235 18.044 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.553 -1.691 17.995 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.954 -1.089 17.264 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.092 -0.100 18.467 1.00 0.00 H new ATOM 215 N THR A 15 -2.111 0.348 21.551 1.00 0.00 N ATOM 216 CA THR A 15 -1.818 1.544 22.320 1.00 0.00 C ATOM 217 C THR A 15 -0.306 1.706 22.493 1.00 0.00 C ATOM 218 O THR A 15 0.377 0.768 22.907 1.00 0.00 O ATOM 219 CB THR A 15 -2.497 1.467 23.703 1.00 0.00 C ATOM 220 OG1 THR A 15 -3.852 1.011 23.554 1.00 0.00 O ATOM 221 CG2 THR A 15 -2.493 2.823 24.394 1.00 0.00 C ATOM 0 H THR A 15 -2.302 -0.477 22.119 1.00 0.00 H new ATOM 0 HA THR A 15 -2.207 2.407 21.780 1.00 0.00 H new ATOM 0 HB THR A 15 -1.934 0.765 24.318 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.279 0.962 24.435 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.978 2.737 25.366 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.465 3.159 24.530 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.033 3.545 23.781 1.00 0.00 H new ATOM 229 N PRO A 16 0.238 2.889 22.156 1.00 0.00 N ATOM 230 CA PRO A 16 1.675 3.159 22.267 1.00 0.00 C ATOM 231 C PRO A 16 2.171 3.088 23.709 1.00 0.00 C ATOM 232 O PRO A 16 1.566 3.663 24.618 1.00 0.00 O ATOM 233 CB PRO A 16 1.829 4.581 21.714 1.00 0.00 C ATOM 234 CG PRO A 16 0.470 5.184 21.798 1.00 0.00 C ATOM 235 CD PRO A 16 -0.502 4.051 21.639 1.00 0.00 C ATOM 0 HA PRO A 16 2.265 2.418 21.727 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.550 5.154 22.297 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.190 4.566 20.686 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.327 5.689 22.753 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.327 5.932 21.018 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.419 4.226 22.202 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.790 3.912 20.597 1.00 0.00 H new ATOM 243 N SER A 17 3.273 2.370 23.904 1.00 0.00 N ATOM 244 CA SER A 17 3.869 2.197 25.223 1.00 0.00 C ATOM 245 C SER A 17 4.274 3.542 25.826 1.00 0.00 C ATOM 246 O SER A 17 3.972 3.835 26.984 1.00 0.00 O ATOM 247 CB SER A 17 5.097 1.292 25.116 1.00 0.00 C ATOM 248 OG SER A 17 4.831 0.171 24.289 1.00 0.00 O ATOM 0 H SER A 17 3.776 1.894 23.155 1.00 0.00 H new ATOM 0 HA SER A 17 3.127 1.739 25.877 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.936 1.857 24.710 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.392 0.954 26.109 1.00 0.00 H new ATOM 0 HG SER A 17 4.500 -0.570 24.839 1.00 0.00 H new ATOM 254 N ALA A 18 4.949 4.357 25.028 1.00 0.00 N ATOM 255 CA ALA A 18 5.456 5.639 25.485 1.00 0.00 C ATOM 256 C ALA A 18 5.574 6.601 24.310 1.00 0.00 C ATOM 257 O ALA A 18 5.274 6.228 23.175 1.00 0.00 O ATOM 258 CB ALA A 18 6.808 5.454 26.163 1.00 0.00 C ATOM 0 H ALA A 18 5.159 4.148 24.052 1.00 0.00 H new ATOM 0 HA ALA A 18 4.760 6.060 26.210 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.180 6.421 26.502 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.698 4.787 27.018 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.514 5.022 25.454 1.00 0.00 H new ATOM 264 N LEU A 19 5.990 7.834 24.590 1.00 0.00 N ATOM 265 CA LEU A 19 6.222 8.826 23.542 1.00 0.00 C ATOM 266 C LEU A 19 7.248 8.306 22.542 1.00 0.00 C ATOM 267 O LEU A 19 6.971 8.180 21.350 1.00 0.00 O ATOM 268 CB LEU A 19 6.724 10.141 24.147 1.00 0.00 C ATOM 269 CG LEU A 19 5.764 10.831 25.114 1.00 0.00 C ATOM 270 CD1 LEU A 19 6.410 12.076 25.701 1.00 0.00 C ATOM 271 CD2 LEU A 19 4.464 11.188 24.413 1.00 0.00 C ATOM 0 H LEU A 19 6.174 8.171 25.535 1.00 0.00 H new ATOM 0 HA LEU A 19 5.277 9.007 23.030 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.660 9.946 24.670 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.951 10.831 23.334 1.00 0.00 H new ATOM 0 HG LEU A 19 5.537 10.141 25.926 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.714 12.557 26.388 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.316 11.797 26.239 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.663 12.768 24.898 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.793 11.679 25.118 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.672 11.861 23.582 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.993 10.280 24.036 1.00 0.00 H new ATOM 283 N GLY A 20 8.435 8.006 23.046 1.00 0.00 N ATOM 284 CA GLY A 20 9.480 7.451 22.217 1.00 0.00 C ATOM 285 C GLY A 20 9.692 5.982 22.504 1.00 0.00 C ATOM 286 O GLY A 20 8.755 5.276 22.876 1.00 0.00 O ATOM 0 H GLY A 20 8.693 8.139 24.024 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.222 7.584 21.166 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.409 7.994 22.388 1.00 0.00 H new ATOM 290 N CYS A 21 10.918 5.513 22.341 1.00 0.00 N ATOM 291 CA CYS A 21 11.227 4.129 22.647 1.00 0.00 C ATOM 292 C CYS A 21 11.297 3.941 24.154 1.00 0.00 C ATOM 293 O CYS A 21 12.142 4.540 24.821 1.00 0.00 O ATOM 294 CB CYS A 21 12.538 3.700 21.994 1.00 0.00 C ATOM 295 SG CYS A 21 12.912 1.941 22.196 1.00 0.00 S ATOM 0 H CYS A 21 11.707 6.064 22.002 1.00 0.00 H new ATOM 0 HA CYS A 21 10.434 3.500 22.243 1.00 0.00 H new ATOM 0 HB2 CYS A 21 12.497 3.933 20.930 1.00 0.00 H new ATOM 0 HB3 CYS A 21 13.353 4.286 22.418 1.00 0.00 H new ATOM 0 HG CYS A 21 13.211 1.701 23.438 1.00 0.00 H new ATOM 301 N GLU A 22 10.400 3.099 24.657 1.00 0.00 N ATOM 302 CA GLU A 22 10.226 2.843 26.088 1.00 0.00 C ATOM 303 C GLU A 22 11.549 2.807 26.865 1.00 0.00 C ATOM 304 O GLU A 22 11.846 3.719 27.637 1.00 0.00 O ATOM 305 CB GLU A 22 9.482 1.518 26.254 1.00 0.00 C ATOM 306 CG GLU A 22 9.402 1.012 27.681 1.00 0.00 C ATOM 307 CD GLU A 22 9.377 -0.500 27.730 1.00 0.00 C ATOM 308 OE1 GLU A 22 9.863 -1.130 26.762 1.00 0.00 O ATOM 309 OE2 GLU A 22 8.903 -1.067 28.734 1.00 0.00 O ATOM 0 H GLU A 22 9.759 2.563 24.072 1.00 0.00 H new ATOM 0 HA GLU A 22 9.654 3.671 26.507 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.470 1.634 25.867 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.973 0.762 25.642 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.256 1.382 28.248 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.506 1.408 28.159 1.00 0.00 H new ATOM 316 N GLU A 23 12.350 1.769 26.649 1.00 0.00 N ATOM 317 CA GLU A 23 13.564 1.576 27.435 1.00 0.00 C ATOM 318 C GLU A 23 14.617 2.637 27.126 1.00 0.00 C ATOM 319 O GLU A 23 15.395 3.019 27.995 1.00 0.00 O ATOM 320 CB GLU A 23 14.139 0.177 27.213 1.00 0.00 C ATOM 321 CG GLU A 23 15.474 -0.043 27.905 1.00 0.00 C ATOM 322 CD GLU A 23 15.903 -1.490 27.922 1.00 0.00 C ATOM 323 OE1 GLU A 23 16.231 -2.029 26.846 1.00 0.00 O ATOM 324 OE2 GLU A 23 15.923 -2.085 29.019 1.00 0.00 O ATOM 0 H GLU A 23 12.183 1.053 25.942 1.00 0.00 H new ATOM 0 HA GLU A 23 13.287 1.680 28.484 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.425 -0.563 27.574 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.260 0.008 26.143 1.00 0.00 H new ATOM 0 HG2 GLU A 23 16.238 0.550 27.403 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.409 0.322 28.930 1.00 0.00 H new ATOM 331 N CYS A 24 14.637 3.126 25.898 1.00 0.00 N ATOM 332 CA CYS A 24 15.610 4.137 25.514 1.00 0.00 C ATOM 333 C CYS A 24 15.420 5.418 26.325 1.00 0.00 C ATOM 334 O CYS A 24 16.390 6.101 26.646 1.00 0.00 O ATOM 335 CB CYS A 24 15.518 4.432 24.019 1.00 0.00 C ATOM 336 SG CYS A 24 16.021 3.051 22.966 1.00 0.00 S ATOM 0 H CYS A 24 13.998 2.844 25.155 1.00 0.00 H new ATOM 0 HA CYS A 24 16.604 3.745 25.729 1.00 0.00 H new ATOM 0 HB2 CYS A 24 14.492 4.706 23.776 1.00 0.00 H new ATOM 0 HB3 CYS A 24 16.142 5.296 23.790 1.00 0.00 H new ATOM 0 HG CYS A 24 14.986 2.593 22.327 1.00 0.00 H new ATOM 342 N LEU A 25 14.175 5.717 26.683 1.00 0.00 N ATOM 343 CA LEU A 25 13.861 6.913 27.464 1.00 0.00 C ATOM 344 C LEU A 25 14.532 6.884 28.836 1.00 0.00 C ATOM 345 O LEU A 25 14.886 7.932 29.379 1.00 0.00 O ATOM 346 CB LEU A 25 12.347 7.049 27.643 1.00 0.00 C ATOM 347 CG LEU A 25 11.564 7.338 26.365 1.00 0.00 C ATOM 348 CD1 LEU A 25 10.069 7.247 26.624 1.00 0.00 C ATOM 349 CD2 LEU A 25 11.920 8.712 25.825 1.00 0.00 C ATOM 0 H LEU A 25 13.364 5.147 26.445 1.00 0.00 H new ATOM 0 HA LEU A 25 14.245 7.771 26.912 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.965 6.128 28.083 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.152 7.849 28.358 1.00 0.00 H new ATOM 0 HG LEU A 25 11.834 6.589 25.620 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.527 7.456 25.702 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.820 6.244 26.972 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.786 7.975 27.384 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.353 8.903 24.914 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.676 9.470 26.569 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.987 8.751 25.604 1.00 0.00 H new ATOM 361 N LYS A 26 14.735 5.683 29.374 1.00 0.00 N ATOM 362 CA LYS A 26 15.249 5.525 30.734 1.00 0.00 C ATOM 363 C LYS A 26 16.696 6.011 30.838 1.00 0.00 C ATOM 364 O LYS A 26 17.157 6.382 31.917 1.00 0.00 O ATOM 365 CB LYS A 26 15.140 4.054 31.184 1.00 0.00 C ATOM 366 CG LYS A 26 16.341 3.188 30.823 1.00 0.00 C ATOM 367 CD LYS A 26 16.035 1.706 30.976 1.00 0.00 C ATOM 368 CE LYS A 26 17.297 0.860 30.888 1.00 0.00 C ATOM 369 NZ LYS A 26 17.012 -0.593 31.055 1.00 0.00 N ATOM 0 H LYS A 26 14.552 4.805 28.889 1.00 0.00 H new ATOM 0 HA LYS A 26 14.640 6.139 31.397 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.002 4.028 32.265 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.247 3.617 30.738 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.641 3.393 29.795 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.185 3.453 31.460 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.546 1.532 31.935 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.334 1.397 30.200 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.777 1.026 29.924 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.002 1.181 31.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.892 -1.094 31.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.321 -0.725 31.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.624 -0.975 30.169 1.00 0.00 H new ATOM 383 N ILE A 27 17.404 6.024 29.712 1.00 0.00 N ATOM 384 CA ILE A 27 18.812 6.410 29.702 1.00 0.00 C ATOM 385 C ILE A 27 19.100 7.475 28.649 1.00 0.00 C ATOM 386 O ILE A 27 20.253 7.864 28.455 1.00 0.00 O ATOM 387 CB ILE A 27 19.732 5.200 29.436 1.00 0.00 C ATOM 388 CG1 ILE A 27 19.276 4.451 28.179 1.00 0.00 C ATOM 389 CG2 ILE A 27 19.764 4.273 30.642 1.00 0.00 C ATOM 390 CD1 ILE A 27 20.178 3.298 27.794 1.00 0.00 C ATOM 0 H ILE A 27 17.028 5.773 28.798 1.00 0.00 H new ATOM 0 HA ILE A 27 19.020 6.815 30.692 1.00 0.00 H new ATOM 0 HB ILE A 27 20.745 5.564 29.268 1.00 0.00 H new ATOM 0 HG12 ILE A 27 18.266 4.073 28.339 1.00 0.00 H new ATOM 0 HG13 ILE A 27 19.225 5.154 27.347 1.00 0.00 H new ATOM 0 HG21 ILE A 27 20.418 3.427 30.433 1.00 0.00 H new ATOM 0 HG22 ILE A 27 20.139 4.817 31.509 1.00 0.00 H new ATOM 0 HG23 ILE A 27 18.757 3.911 30.849 1.00 0.00 H new ATOM 0 HD11 ILE A 27 19.791 2.817 26.896 1.00 0.00 H new ATOM 0 HD12 ILE A 27 21.184 3.672 27.601 1.00 0.00 H new ATOM 0 HD13 ILE A 27 20.210 2.574 28.608 1.00 0.00 H new ATOM 402 N GLY A 28 18.059 7.950 27.977 1.00 0.00 N ATOM 403 CA GLY A 28 18.253 8.900 26.896 1.00 0.00 C ATOM 404 C GLY A 28 19.032 8.290 25.746 1.00 0.00 C ATOM 405 O GLY A 28 19.970 8.895 25.227 1.00 0.00 O ATOM 0 H GLY A 28 17.088 7.697 28.159 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.284 9.245 26.536 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.784 9.775 27.271 1.00 0.00 H new ATOM 409 N SER A 29 18.645 7.079 25.369 1.00 0.00 N ATOM 410 CA SER A 29 19.316 6.341 24.309 1.00 0.00 C ATOM 411 C SER A 29 18.856 6.845 22.943 1.00 0.00 C ATOM 412 O SER A 29 17.692 6.685 22.575 1.00 0.00 O ATOM 413 CB SER A 29 19.021 4.841 24.463 1.00 0.00 C ATOM 414 OG SER A 29 19.701 4.057 23.494 1.00 0.00 O ATOM 0 H SER A 29 17.859 6.582 25.788 1.00 0.00 H new ATOM 0 HA SER A 29 20.392 6.498 24.384 1.00 0.00 H new ATOM 0 HB2 SER A 29 19.314 4.516 25.461 1.00 0.00 H new ATOM 0 HB3 SER A 29 17.948 4.673 24.375 1.00 0.00 H new ATOM 0 HG SER A 29 20.408 3.538 23.931 1.00 0.00 H new ATOM 420 N PRO A 30 19.771 7.463 22.179 1.00 0.00 N ATOM 421 CA PRO A 30 19.457 8.055 20.875 1.00 0.00 C ATOM 422 C PRO A 30 18.967 7.026 19.863 1.00 0.00 C ATOM 423 O PRO A 30 19.665 6.058 19.553 1.00 0.00 O ATOM 424 CB PRO A 30 20.790 8.657 20.412 1.00 0.00 C ATOM 425 CG PRO A 30 21.613 8.774 21.648 1.00 0.00 C ATOM 426 CD PRO A 30 21.189 7.636 22.528 1.00 0.00 C ATOM 0 HA PRO A 30 18.650 8.783 20.956 1.00 0.00 H new ATOM 0 HB2 PRO A 30 21.276 8.019 19.674 1.00 0.00 H new ATOM 0 HB3 PRO A 30 20.642 9.630 19.944 1.00 0.00 H new ATOM 0 HG2 PRO A 30 22.677 8.715 21.417 1.00 0.00 H new ATOM 0 HG3 PRO A 30 21.446 9.732 22.140 1.00 0.00 H new ATOM 0 HD2 PRO A 30 21.767 6.734 22.329 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.319 7.871 23.584 1.00 0.00 H new ATOM 434 N TRP A 31 17.762 7.238 19.357 1.00 0.00 N ATOM 435 CA TRP A 31 17.206 6.370 18.335 1.00 0.00 C ATOM 436 C TRP A 31 17.136 7.098 17.000 1.00 0.00 C ATOM 437 O TRP A 31 17.123 8.329 16.953 1.00 0.00 O ATOM 438 CB TRP A 31 15.814 5.864 18.735 1.00 0.00 C ATOM 439 CG TRP A 31 14.832 6.946 19.081 1.00 0.00 C ATOM 440 CD1 TRP A 31 14.192 7.794 18.218 1.00 0.00 C ATOM 441 CD2 TRP A 31 14.355 7.275 20.390 1.00 0.00 C ATOM 442 NE1 TRP A 31 13.362 8.636 18.916 1.00 0.00 N ATOM 443 CE2 TRP A 31 13.442 8.335 20.249 1.00 0.00 C ATOM 444 CE3 TRP A 31 14.616 6.777 21.669 1.00 0.00 C ATOM 445 CZ2 TRP A 31 12.789 8.902 21.339 1.00 0.00 C ATOM 446 CZ3 TRP A 31 13.966 7.342 22.749 1.00 0.00 C ATOM 447 CH2 TRP A 31 13.062 8.395 22.577 1.00 0.00 C ATOM 0 H TRP A 31 17.151 8.005 19.639 1.00 0.00 H new ATOM 0 HA TRP A 31 17.865 5.508 18.234 1.00 0.00 H new ATOM 0 HB2 TRP A 31 15.408 5.271 17.915 1.00 0.00 H new ATOM 0 HB3 TRP A 31 15.916 5.197 19.591 1.00 0.00 H new ATOM 0 HD1 TRP A 31 14.321 7.800 17.146 1.00 0.00 H new ATOM 0 HE1 TRP A 31 12.780 9.367 18.507 1.00 0.00 H new ATOM 0 HE3 TRP A 31 15.314 5.965 21.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 12.090 9.715 21.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 14.159 6.964 23.742 1.00 0.00 H new ATOM 0 HH2 TRP A 31 12.570 8.816 23.441 1.00 0.00 H new ATOM 458 N VAL A 32 17.099 6.332 15.924 1.00 0.00 N ATOM 459 CA VAL A 32 16.972 6.891 14.590 1.00 0.00 C ATOM 460 C VAL A 32 15.499 6.992 14.215 1.00 0.00 C ATOM 461 O VAL A 32 14.988 8.077 13.940 1.00 0.00 O ATOM 462 CB VAL A 32 17.715 6.028 13.546 1.00 0.00 C ATOM 463 CG1 VAL A 32 17.582 6.619 12.150 1.00 0.00 C ATOM 464 CG2 VAL A 32 19.181 5.874 13.923 1.00 0.00 C ATOM 0 H VAL A 32 17.156 5.314 15.949 1.00 0.00 H new ATOM 0 HA VAL A 32 17.423 7.883 14.594 1.00 0.00 H new ATOM 0 HB VAL A 32 17.254 5.041 13.539 1.00 0.00 H new ATOM 0 HG11 VAL A 32 18.115 5.990 11.437 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.529 6.668 11.874 1.00 0.00 H new ATOM 0 HG13 VAL A 32 18.007 7.623 12.138 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.687 5.263 13.175 1.00 0.00 H new ATOM 0 HG22 VAL A 32 19.651 6.857 13.967 1.00 0.00 H new ATOM 0 HG23 VAL A 32 19.257 5.392 14.898 1.00 0.00 H new ATOM 474 N HIS A 33 14.820 5.854 14.222 1.00 0.00 N ATOM 475 CA HIS A 33 13.396 5.814 13.927 1.00 0.00 C ATOM 476 C HIS A 33 12.671 4.909 14.912 1.00 0.00 C ATOM 477 O HIS A 33 13.246 3.948 15.435 1.00 0.00 O ATOM 478 CB HIS A 33 13.141 5.344 12.490 1.00 0.00 C ATOM 479 CG HIS A 33 13.431 6.391 11.457 1.00 0.00 C ATOM 480 ND1 HIS A 33 14.326 6.210 10.426 1.00 0.00 N ATOM 481 CD2 HIS A 33 12.931 7.639 11.303 1.00 0.00 C ATOM 482 CE1 HIS A 33 14.367 7.304 9.688 1.00 0.00 C ATOM 483 NE2 HIS A 33 13.530 8.187 10.197 1.00 0.00 N ATOM 0 H HIS A 33 15.234 4.945 14.429 1.00 0.00 H new ATOM 0 HA HIS A 33 13.006 6.827 14.028 1.00 0.00 H new ATOM 0 HB2 HIS A 33 13.756 4.467 12.289 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.101 5.032 12.398 1.00 0.00 H new ATOM 0 HD2 HIS A 33 12.196 8.116 11.934 1.00 0.00 H new ATOM 0 HE1 HIS A 33 14.983 7.451 8.813 1.00 0.00 H new ATOM 0 HE2 HIS A 33 13.357 9.122 9.829 1.00 0.00 H new ATOM 492 N LEU A 34 11.411 5.222 15.154 1.00 0.00 N ATOM 493 CA LEU A 34 10.595 4.482 16.099 1.00 0.00 C ATOM 494 C LEU A 34 9.543 3.681 15.365 1.00 0.00 C ATOM 495 O LEU A 34 8.851 4.201 14.488 1.00 0.00 O ATOM 496 CB LEU A 34 9.911 5.432 17.078 1.00 0.00 C ATOM 497 CG LEU A 34 10.847 6.198 18.003 1.00 0.00 C ATOM 498 CD1 LEU A 34 10.058 7.181 18.847 1.00 0.00 C ATOM 499 CD2 LEU A 34 11.619 5.232 18.885 1.00 0.00 C ATOM 0 H LEU A 34 10.925 5.996 14.701 1.00 0.00 H new ATOM 0 HA LEU A 34 11.247 3.807 16.654 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.321 6.150 16.509 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.213 4.858 17.688 1.00 0.00 H new ATOM 0 HG LEU A 34 11.561 6.758 17.399 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.737 7.723 19.505 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.542 7.887 18.196 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.327 6.640 19.447 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.285 5.792 19.542 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.920 4.651 19.487 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.207 4.559 18.260 1.00 0.00 H new ATOM 511 N ARG A 35 9.421 2.420 15.722 1.00 0.00 N ATOM 512 CA ARG A 35 8.440 1.558 15.104 1.00 0.00 C ATOM 513 C ARG A 35 7.628 0.844 16.175 1.00 0.00 C ATOM 514 O ARG A 35 8.177 0.207 17.077 1.00 0.00 O ATOM 515 CB ARG A 35 9.123 0.566 14.156 1.00 0.00 C ATOM 516 CG ARG A 35 9.907 1.254 13.041 1.00 0.00 C ATOM 517 CD ARG A 35 10.546 0.259 12.086 1.00 0.00 C ATOM 518 NE ARG A 35 11.385 0.920 11.083 1.00 0.00 N ATOM 519 CZ ARG A 35 11.694 0.394 9.894 1.00 0.00 C ATOM 520 NH1 ARG A 35 11.228 -0.799 9.539 1.00 0.00 N ATOM 521 NH2 ARG A 35 12.476 1.060 9.057 1.00 0.00 N ATOM 0 H ARG A 35 9.991 1.970 16.438 1.00 0.00 H new ATOM 0 HA ARG A 35 7.754 2.161 14.509 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.798 -0.070 14.729 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.369 -0.085 13.715 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.240 1.912 12.484 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.682 1.883 13.479 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.149 -0.450 12.652 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.766 -0.314 11.585 1.00 0.00 H new ATOM 0 HE ARG A 35 11.758 1.843 11.307 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.628 -1.323 10.177 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.470 -1.191 8.629 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.843 1.975 9.320 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.711 0.658 8.150 1.00 0.00 H new ATOM 535 N ILE A 36 6.317 0.971 16.078 1.00 0.00 N ATOM 536 CA ILE A 36 5.418 0.417 17.074 1.00 0.00 C ATOM 537 C ILE A 36 4.906 -0.938 16.626 1.00 0.00 C ATOM 538 O ILE A 36 4.376 -1.102 15.530 1.00 0.00 O ATOM 539 CB ILE A 36 4.232 1.366 17.382 1.00 0.00 C ATOM 540 CG1 ILE A 36 3.294 0.727 18.412 1.00 0.00 C ATOM 541 CG2 ILE A 36 3.474 1.733 16.111 1.00 0.00 C ATOM 542 CD1 ILE A 36 2.172 1.636 18.865 1.00 0.00 C ATOM 0 H ILE A 36 5.848 1.457 15.313 1.00 0.00 H new ATOM 0 HA ILE A 36 5.987 0.299 17.996 1.00 0.00 H new ATOM 0 HB ILE A 36 4.634 2.288 17.803 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.865 -0.179 17.985 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.877 0.424 19.282 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.648 2.399 16.360 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.149 2.234 15.417 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.083 0.828 15.647 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.552 1.113 19.593 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.592 2.532 19.323 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.563 1.919 18.006 1.00 0.00 H new ATOM 554 N CYS A 37 5.113 -1.913 17.478 1.00 0.00 N ATOM 555 CA CYS A 37 4.699 -3.274 17.216 1.00 0.00 C ATOM 556 C CYS A 37 3.178 -3.381 17.216 1.00 0.00 C ATOM 557 O CYS A 37 2.551 -3.345 18.275 1.00 0.00 O ATOM 558 CB CYS A 37 5.299 -4.161 18.289 1.00 0.00 C ATOM 559 SG CYS A 37 4.913 -5.920 18.155 1.00 0.00 S ATOM 0 H CYS A 37 5.576 -1.786 18.378 1.00 0.00 H new ATOM 0 HA CYS A 37 5.048 -3.590 16.233 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.382 -4.043 18.269 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.958 -3.806 19.261 1.00 0.00 H new ATOM 564 N ARG A 38 2.597 -3.544 16.030 1.00 0.00 N ATOM 565 CA ARG A 38 1.139 -3.532 15.859 1.00 0.00 C ATOM 566 C ARG A 38 0.474 -4.778 16.441 1.00 0.00 C ATOM 567 O ARG A 38 -0.727 -4.978 16.275 1.00 0.00 O ATOM 568 CB ARG A 38 0.780 -3.422 14.376 1.00 0.00 C ATOM 569 CG ARG A 38 1.102 -2.072 13.756 1.00 0.00 C ATOM 570 CD ARG A 38 0.194 -0.973 14.292 1.00 0.00 C ATOM 571 NE ARG A 38 -1.222 -1.255 14.040 1.00 0.00 N ATOM 572 CZ ARG A 38 -2.070 -0.379 13.497 1.00 0.00 C ATOM 573 NH1 ARG A 38 -1.651 0.826 13.138 1.00 0.00 N ATOM 574 NH2 ARG A 38 -3.341 -0.711 13.301 1.00 0.00 N ATOM 0 H ARG A 38 3.116 -3.687 15.163 1.00 0.00 H new ATOM 0 HA ARG A 38 0.766 -2.664 16.403 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.312 -4.198 13.826 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.285 -3.620 14.256 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.142 -1.817 13.961 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.996 -2.135 12.673 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.355 -0.861 15.364 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.462 -0.024 13.828 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.581 -2.175 14.295 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.675 1.089 13.276 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.304 1.491 12.724 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.672 -1.639 13.566 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.986 -0.038 12.886 1.00 0.00 H new ATOM 588 N THR A 39 1.246 -5.612 17.117 1.00 0.00 N ATOM 589 CA THR A 39 0.706 -6.832 17.691 1.00 0.00 C ATOM 590 C THR A 39 0.440 -6.677 19.190 1.00 0.00 C ATOM 591 O THR A 39 -0.450 -7.320 19.740 1.00 0.00 O ATOM 592 CB THR A 39 1.667 -8.012 17.464 1.00 0.00 C ATOM 593 OG1 THR A 39 2.230 -7.934 16.147 1.00 0.00 O ATOM 594 CG2 THR A 39 0.946 -9.340 17.631 1.00 0.00 C ATOM 0 H THR A 39 2.242 -5.468 17.281 1.00 0.00 H new ATOM 0 HA THR A 39 -0.240 -7.033 17.189 1.00 0.00 H new ATOM 0 HB THR A 39 2.462 -7.953 18.208 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.714 -8.763 15.948 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.647 -10.158 17.465 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.540 -9.409 18.640 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.134 -9.406 16.907 1.00 0.00 H new ATOM 602 N CYS A 40 1.204 -5.814 19.850 1.00 0.00 N ATOM 603 CA CYS A 40 1.076 -5.663 21.298 1.00 0.00 C ATOM 604 C CYS A 40 1.251 -4.205 21.736 1.00 0.00 C ATOM 605 O CYS A 40 1.178 -3.895 22.922 1.00 0.00 O ATOM 606 CB CYS A 40 2.098 -6.557 22.008 1.00 0.00 C ATOM 607 SG CYS A 40 3.814 -5.993 21.822 1.00 0.00 S ATOM 0 H CYS A 40 1.908 -5.217 19.416 1.00 0.00 H new ATOM 0 HA CYS A 40 0.068 -5.970 21.578 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.853 -6.602 23.069 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.014 -7.571 21.618 1.00 0.00 H new ATOM 612 N GLY A 41 1.497 -3.312 20.779 1.00 0.00 N ATOM 613 CA GLY A 41 1.578 -1.895 21.090 1.00 0.00 C ATOM 614 C GLY A 41 2.913 -1.478 21.673 1.00 0.00 C ATOM 615 O GLY A 41 3.044 -0.375 22.201 1.00 0.00 O ATOM 0 H GLY A 41 1.641 -3.544 19.796 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.392 -1.321 20.182 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.787 -1.641 21.796 1.00 0.00 H new ATOM 619 N HIS A 42 3.918 -2.337 21.571 1.00 0.00 N ATOM 620 CA HIS A 42 5.216 -2.017 22.144 1.00 0.00 C ATOM 621 C HIS A 42 6.013 -1.158 21.174 1.00 0.00 C ATOM 622 O HIS A 42 6.323 -1.590 20.061 1.00 0.00 O ATOM 623 CB HIS A 42 5.994 -3.286 22.492 1.00 0.00 C ATOM 624 CG HIS A 42 6.871 -3.130 23.698 1.00 0.00 C ATOM 625 ND1 HIS A 42 6.574 -3.703 24.912 1.00 0.00 N ATOM 626 CD2 HIS A 42 8.035 -2.458 23.878 1.00 0.00 C ATOM 627 CE1 HIS A 42 7.512 -3.395 25.784 1.00 0.00 C ATOM 628 NE2 HIS A 42 8.410 -2.640 25.186 1.00 0.00 N ATOM 0 H HIS A 42 3.862 -3.243 21.106 1.00 0.00 H new ATOM 0 HA HIS A 42 5.055 -1.460 23.067 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.290 -4.100 22.666 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.609 -3.573 21.639 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.567 -1.887 23.132 1.00 0.00 H new ATOM 0 HE1 HIS A 42 7.540 -3.709 26.817 1.00 0.00 H new ATOM 0 HE2 HIS A 42 9.247 -2.254 25.623 1.00 0.00 H new ATOM 637 N VAL A 43 6.313 0.062 21.595 1.00 0.00 N ATOM 638 CA VAL A 43 7.079 0.994 20.777 1.00 0.00 C ATOM 639 C VAL A 43 8.573 0.786 20.991 1.00 0.00 C ATOM 640 O VAL A 43 9.061 0.837 22.123 1.00 0.00 O ATOM 641 CB VAL A 43 6.723 2.464 21.099 1.00 0.00 C ATOM 642 CG1 VAL A 43 7.500 3.419 20.205 1.00 0.00 C ATOM 643 CG2 VAL A 43 5.228 2.700 20.957 1.00 0.00 C ATOM 0 H VAL A 43 6.036 0.432 22.504 1.00 0.00 H new ATOM 0 HA VAL A 43 6.822 0.794 19.737 1.00 0.00 H new ATOM 0 HB VAL A 43 7.005 2.659 22.134 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.232 4.447 20.451 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.569 3.275 20.361 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.256 3.220 19.161 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.000 3.741 21.188 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.920 2.480 19.935 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.690 2.049 21.646 1.00 0.00 H new ATOM 653 N GLY A 44 9.292 0.547 19.906 1.00 0.00 N ATOM 654 CA GLY A 44 10.715 0.330 20.001 1.00 0.00 C ATOM 655 C GLY A 44 11.468 0.959 18.851 1.00 0.00 C ATOM 656 O GLY A 44 10.910 1.167 17.774 1.00 0.00 O ATOM 0 H GLY A 44 8.912 0.500 18.960 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.081 0.742 20.941 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.917 -0.741 20.022 1.00 0.00 H new ATOM 660 N CYS A 45 12.729 1.283 19.085 1.00 0.00 N ATOM 661 CA CYS A 45 13.581 1.818 18.039 1.00 0.00 C ATOM 662 C CYS A 45 13.962 0.708 17.069 1.00 0.00 C ATOM 663 O CYS A 45 14.214 -0.428 17.486 1.00 0.00 O ATOM 664 CB CYS A 45 14.835 2.448 18.650 1.00 0.00 C ATOM 665 SG CYS A 45 15.856 1.297 19.601 1.00 0.00 S ATOM 0 H CYS A 45 13.185 1.184 19.992 1.00 0.00 H new ATOM 0 HA CYS A 45 13.038 2.591 17.495 1.00 0.00 H new ATOM 0 HB2 CYS A 45 15.439 2.876 17.850 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.535 3.271 19.299 1.00 0.00 H new ATOM 0 HG CYS A 45 16.018 1.755 20.807 1.00 0.00 H new ATOM 671 N CYS A 46 13.999 1.031 15.786 1.00 0.00 N ATOM 672 CA CYS A 46 14.302 0.044 14.759 1.00 0.00 C ATOM 673 C CYS A 46 15.775 -0.354 14.797 1.00 0.00 C ATOM 674 O CYS A 46 16.546 0.155 15.618 1.00 0.00 O ATOM 675 CB CYS A 46 13.936 0.596 13.382 1.00 0.00 C ATOM 676 SG CYS A 46 14.696 2.190 13.005 1.00 0.00 S ATOM 0 H CYS A 46 13.823 1.970 15.429 1.00 0.00 H new ATOM 0 HA CYS A 46 13.708 -0.849 14.955 1.00 0.00 H new ATOM 0 HB2 CYS A 46 14.234 -0.126 12.622 1.00 0.00 H new ATOM 0 HB3 CYS A 46 12.853 0.697 13.319 1.00 0.00 H new ATOM 0 HG CYS A 46 15.087 2.202 11.765 1.00 0.00 H new ATOM 682 N ASP A 47 16.167 -1.247 13.896 1.00 0.00 N ATOM 683 CA ASP A 47 17.534 -1.755 13.862 1.00 0.00 C ATOM 684 C ASP A 47 18.482 -0.720 13.268 1.00 0.00 C ATOM 685 O ASP A 47 19.701 -0.903 13.272 1.00 0.00 O ATOM 686 CB ASP A 47 17.608 -3.063 13.073 1.00 0.00 C ATOM 687 CG ASP A 47 17.341 -2.876 11.595 1.00 0.00 C ATOM 688 OD1 ASP A 47 16.293 -2.294 11.248 1.00 0.00 O ATOM 689 OD2 ASP A 47 18.183 -3.309 10.779 1.00 0.00 O ATOM 0 H ASP A 47 15.556 -1.635 13.177 1.00 0.00 H new ATOM 0 HA ASP A 47 17.844 -1.955 14.888 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.595 -3.506 13.205 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.885 -3.769 13.481 1.00 0.00 H new ATOM 694 N ASP A 48 17.914 0.365 12.749 1.00 0.00 N ATOM 695 CA ASP A 48 18.705 1.517 12.327 1.00 0.00 C ATOM 696 C ASP A 48 19.385 2.133 13.539 1.00 0.00 C ATOM 697 O ASP A 48 20.433 2.765 13.429 1.00 0.00 O ATOM 698 CB ASP A 48 17.826 2.579 11.659 1.00 0.00 C ATOM 699 CG ASP A 48 17.140 2.089 10.402 1.00 0.00 C ATOM 700 OD1 ASP A 48 16.070 1.458 10.514 1.00 0.00 O ATOM 701 OD2 ASP A 48 17.650 2.355 9.298 1.00 0.00 O ATOM 0 H ASP A 48 16.909 0.471 12.611 1.00 0.00 H new ATOM 0 HA ASP A 48 19.446 1.174 11.606 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.070 2.913 12.370 1.00 0.00 H new ATOM 0 HB3 ASP A 48 18.439 3.446 11.415 1.00 0.00 H new ATOM 706 N SER A 49 18.768 1.938 14.699 1.00 0.00 N ATOM 707 CA SER A 49 19.289 2.460 15.948 1.00 0.00 C ATOM 708 C SER A 49 20.115 1.387 16.647 1.00 0.00 C ATOM 709 O SER A 49 19.716 0.226 16.672 1.00 0.00 O ATOM 710 CB SER A 49 18.130 2.899 16.839 1.00 0.00 C ATOM 711 OG SER A 49 17.170 3.620 16.086 1.00 0.00 O ATOM 0 H SER A 49 17.897 1.416 14.796 1.00 0.00 H new ATOM 0 HA SER A 49 19.928 3.320 15.747 1.00 0.00 H new ATOM 0 HB2 SER A 49 17.663 2.026 17.294 1.00 0.00 H new ATOM 0 HB3 SER A 49 18.504 3.521 17.652 1.00 0.00 H new ATOM 0 HG SER A 49 16.423 3.029 15.857 1.00 0.00 H new ATOM 717 N PRO A 50 21.260 1.765 17.240 1.00 0.00 N ATOM 718 CA PRO A 50 22.207 0.816 17.851 1.00 0.00 C ATOM 719 C PRO A 50 21.570 -0.094 18.904 1.00 0.00 C ATOM 720 O PRO A 50 22.003 -1.230 19.097 1.00 0.00 O ATOM 721 CB PRO A 50 23.264 1.721 18.501 1.00 0.00 C ATOM 722 CG PRO A 50 22.659 3.084 18.537 1.00 0.00 C ATOM 723 CD PRO A 50 21.732 3.152 17.361 1.00 0.00 C ATOM 0 HA PRO A 50 22.605 0.130 17.103 1.00 0.00 H new ATOM 0 HB2 PRO A 50 23.512 1.376 19.505 1.00 0.00 H new ATOM 0 HB3 PRO A 50 24.190 1.718 17.925 1.00 0.00 H new ATOM 0 HG2 PRO A 50 22.119 3.248 19.470 1.00 0.00 H new ATOM 0 HG3 PRO A 50 23.427 3.854 18.474 1.00 0.00 H new ATOM 0 HD2 PRO A 50 20.909 3.846 17.534 1.00 0.00 H new ATOM 0 HD3 PRO A 50 22.246 3.485 16.459 1.00 0.00 H new ATOM 731 N HIS A 51 20.536 0.404 19.576 1.00 0.00 N ATOM 732 CA HIS A 51 19.877 -0.355 20.638 1.00 0.00 C ATOM 733 C HIS A 51 19.040 -1.497 20.052 1.00 0.00 C ATOM 734 O HIS A 51 18.793 -2.494 20.725 1.00 0.00 O ATOM 735 CB HIS A 51 18.990 0.572 21.475 1.00 0.00 C ATOM 736 CG HIS A 51 18.938 0.224 22.936 1.00 0.00 C ATOM 737 ND1 HIS A 51 18.831 1.176 23.931 1.00 0.00 N ATOM 738 CD2 HIS A 51 18.938 -0.975 23.566 1.00 0.00 C ATOM 739 CE1 HIS A 51 18.760 0.574 25.107 1.00 0.00 C ATOM 740 NE2 HIS A 51 18.826 -0.730 24.913 1.00 0.00 N ATOM 0 H HIS A 51 20.136 1.327 19.406 1.00 0.00 H new ATOM 0 HA HIS A 51 20.646 -0.787 21.279 1.00 0.00 H new ATOM 0 HB2 HIS A 51 19.352 1.595 21.370 1.00 0.00 H new ATOM 0 HB3 HIS A 51 17.978 0.549 21.072 1.00 0.00 H new ATOM 0 HD1 HIS A 51 18.810 2.185 23.782 1.00 0.00 H new ATOM 0 HD2 HIS A 51 19.012 -1.945 23.096 1.00 0.00 H new ATOM 0 HE1 HIS A 51 18.664 1.066 26.064 1.00 0.00 H new ATOM 749 N LYS A 52 18.616 -1.321 18.795 1.00 0.00 N ATOM 750 CA LYS A 52 17.828 -2.317 18.049 1.00 0.00 C ATOM 751 C LYS A 52 16.758 -3.000 18.905 1.00 0.00 C ATOM 752 O LYS A 52 16.798 -4.210 19.108 1.00 0.00 O ATOM 753 CB LYS A 52 18.749 -3.377 17.431 1.00 0.00 C ATOM 754 CG LYS A 52 19.811 -2.799 16.509 1.00 0.00 C ATOM 755 CD LYS A 52 20.625 -3.884 15.827 1.00 0.00 C ATOM 756 CE LYS A 52 21.497 -4.641 16.813 1.00 0.00 C ATOM 757 NZ LYS A 52 22.330 -5.665 16.133 1.00 0.00 N ATOM 0 H LYS A 52 18.811 -0.475 18.259 1.00 0.00 H new ATOM 0 HA LYS A 52 17.310 -1.770 17.262 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.238 -3.932 18.231 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.144 -4.090 16.872 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.334 -2.175 15.753 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.476 -2.153 17.082 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.953 -4.581 15.326 1.00 0.00 H new ATOM 0 HD3 LYS A 52 21.253 -3.437 15.056 1.00 0.00 H new ATOM 0 HE2 LYS A 52 22.142 -3.939 17.342 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.867 -5.122 17.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.912 -6.162 16.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 21.713 -6.348 15.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 22.948 -5.203 15.436 1.00 0.00 H new ATOM 771 N HIS A 53 15.796 -2.231 19.398 1.00 0.00 N ATOM 772 CA HIS A 53 14.736 -2.799 20.228 1.00 0.00 C ATOM 773 C HIS A 53 13.695 -3.537 19.395 1.00 0.00 C ATOM 774 O HIS A 53 13.222 -4.600 19.789 1.00 0.00 O ATOM 775 CB HIS A 53 14.049 -1.717 21.061 1.00 0.00 C ATOM 776 CG HIS A 53 14.710 -1.466 22.378 1.00 0.00 C ATOM 777 ND1 HIS A 53 14.901 -0.206 22.898 1.00 0.00 N ATOM 778 CD2 HIS A 53 15.198 -2.327 23.299 1.00 0.00 C ATOM 779 CE1 HIS A 53 15.476 -0.304 24.079 1.00 0.00 C ATOM 780 NE2 HIS A 53 15.667 -1.579 24.349 1.00 0.00 N ATOM 0 H HIS A 53 15.725 -1.225 19.242 1.00 0.00 H new ATOM 0 HA HIS A 53 15.213 -3.516 20.896 1.00 0.00 H new ATOM 0 HB2 HIS A 53 14.030 -0.788 20.491 1.00 0.00 H new ATOM 0 HB3 HIS A 53 13.012 -2.006 21.233 1.00 0.00 H new ATOM 0 HD1 HIS A 53 14.638 0.667 22.440 1.00 0.00 H new ATOM 0 HD2 HIS A 53 15.215 -3.404 23.222 1.00 0.00 H new ATOM 0 HE1 HIS A 53 15.746 0.523 24.719 1.00 0.00 H new ATOM 0 HE2 HIS A 53 16.093 -1.949 25.199 1.00 0.00 H new ATOM 789 N ALA A 54 13.346 -2.974 18.245 1.00 0.00 N ATOM 790 CA ALA A 54 12.291 -3.534 17.404 1.00 0.00 C ATOM 791 C ALA A 54 12.614 -4.959 16.955 1.00 0.00 C ATOM 792 O ALA A 54 11.738 -5.827 16.936 1.00 0.00 O ATOM 793 CB ALA A 54 12.050 -2.638 16.197 1.00 0.00 C ATOM 0 H ALA A 54 13.778 -2.129 17.871 1.00 0.00 H new ATOM 0 HA ALA A 54 11.382 -3.581 18.003 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.262 -3.066 15.578 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.748 -1.646 16.534 1.00 0.00 H new ATOM 0 HB3 ALA A 54 12.967 -2.559 15.613 1.00 0.00 H new ATOM 799 N THR A 55 13.872 -5.197 16.611 1.00 0.00 N ATOM 800 CA THR A 55 14.296 -6.493 16.107 1.00 0.00 C ATOM 801 C THR A 55 14.390 -7.528 17.225 1.00 0.00 C ATOM 802 O THR A 55 13.864 -8.636 17.106 1.00 0.00 O ATOM 803 CB THR A 55 15.653 -6.378 15.396 1.00 0.00 C ATOM 804 OG1 THR A 55 16.554 -5.594 16.192 1.00 0.00 O ATOM 805 CG2 THR A 55 15.493 -5.742 14.026 1.00 0.00 C ATOM 0 H THR A 55 14.619 -4.505 16.673 1.00 0.00 H new ATOM 0 HA THR A 55 13.541 -6.826 15.395 1.00 0.00 H new ATOM 0 HB THR A 55 16.060 -7.381 15.266 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.453 -5.982 16.147 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.467 -5.671 13.542 1.00 0.00 H new ATOM 0 HG22 THR A 55 14.828 -6.354 13.416 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.069 -4.744 14.135 1.00 0.00 H new ATOM 813 N ARG A 56 15.047 -7.154 18.319 1.00 0.00 N ATOM 814 CA ARG A 56 15.218 -8.054 19.454 1.00 0.00 C ATOM 815 C ARG A 56 13.865 -8.398 20.069 1.00 0.00 C ATOM 816 O ARG A 56 13.688 -9.475 20.641 1.00 0.00 O ATOM 817 CB ARG A 56 16.143 -7.427 20.503 1.00 0.00 C ATOM 818 CG ARG A 56 17.520 -7.078 19.960 1.00 0.00 C ATOM 819 CD ARG A 56 18.389 -6.391 21.004 1.00 0.00 C ATOM 820 NE ARG A 56 18.887 -7.321 22.017 1.00 0.00 N ATOM 821 CZ ARG A 56 19.594 -6.951 23.085 1.00 0.00 C ATOM 822 NH1 ARG A 56 19.829 -5.668 23.327 1.00 0.00 N ATOM 823 NH2 ARG A 56 20.057 -7.864 23.922 1.00 0.00 N ATOM 0 H ARG A 56 15.469 -6.234 18.443 1.00 0.00 H new ATOM 0 HA ARG A 56 15.679 -8.975 19.098 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.676 -6.524 20.896 1.00 0.00 H new ATOM 0 HB3 ARG A 56 16.254 -8.118 21.339 1.00 0.00 H new ATOM 0 HG2 ARG A 56 18.015 -7.987 19.617 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.413 -6.427 19.092 1.00 0.00 H new ATOM 0 HD2 ARG A 56 19.233 -5.910 20.510 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.813 -5.603 21.490 1.00 0.00 H new ATOM 0 HE ARG A 56 18.681 -8.313 21.899 1.00 0.00 H new ATOM 0 HH11 ARG A 56 19.468 -4.955 22.693 1.00 0.00 H new ATOM 0 HH12 ARG A 56 20.371 -5.395 24.147 1.00 0.00 H new ATOM 0 HH21 ARG A 56 19.873 -8.853 23.751 1.00 0.00 H new ATOM 0 HH22 ARG A 56 20.598 -7.580 24.739 1.00 0.00 H new ATOM 837 N HIS A 57 12.909 -7.483 19.929 1.00 0.00 N ATOM 838 CA HIS A 57 11.549 -7.718 20.394 1.00 0.00 C ATOM 839 C HIS A 57 10.869 -8.800 19.556 1.00 0.00 C ATOM 840 O HIS A 57 10.207 -9.687 20.099 1.00 0.00 O ATOM 841 CB HIS A 57 10.732 -6.422 20.347 1.00 0.00 C ATOM 842 CG HIS A 57 9.299 -6.604 20.741 1.00 0.00 C ATOM 843 ND1 HIS A 57 8.851 -6.581 22.041 1.00 0.00 N ATOM 844 CD2 HIS A 57 8.206 -6.842 19.972 1.00 0.00 C ATOM 845 CE1 HIS A 57 7.533 -6.807 22.026 1.00 0.00 C ATOM 846 NE2 HIS A 57 7.093 -6.972 20.791 1.00 0.00 N ATOM 0 H HIS A 57 13.054 -6.571 19.496 1.00 0.00 H new ATOM 0 HA HIS A 57 11.600 -8.062 21.427 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.192 -5.688 21.009 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.774 -6.012 19.338 1.00 0.00 H new ATOM 0 HD1 HIS A 57 9.423 -6.420 22.870 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.203 -6.918 18.895 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.910 -6.849 22.907 1.00 0.00 H new ATOM 854 N PHE A 58 11.022 -8.716 18.236 1.00 0.00 N ATOM 855 CA PHE A 58 10.455 -9.716 17.335 1.00 0.00 C ATOM 856 C PHE A 58 11.028 -11.091 17.648 1.00 0.00 C ATOM 857 O PHE A 58 10.302 -12.081 17.698 1.00 0.00 O ATOM 858 CB PHE A 58 10.732 -9.350 15.873 1.00 0.00 C ATOM 859 CG PHE A 58 10.391 -10.448 14.897 1.00 0.00 C ATOM 860 CD1 PHE A 58 9.137 -11.036 14.892 1.00 0.00 C ATOM 861 CD2 PHE A 58 11.332 -10.890 13.988 1.00 0.00 C ATOM 862 CE1 PHE A 58 8.832 -12.045 14.000 1.00 0.00 C ATOM 863 CE2 PHE A 58 11.035 -11.898 13.091 1.00 0.00 C ATOM 864 CZ PHE A 58 9.783 -12.477 13.098 1.00 0.00 C ATOM 0 H PHE A 58 11.533 -7.967 17.768 1.00 0.00 H new ATOM 0 HA PHE A 58 9.376 -9.739 17.485 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.160 -8.458 15.617 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.786 -9.095 15.765 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.388 -10.701 15.595 1.00 0.00 H new ATOM 0 HD2 PHE A 58 12.314 -10.441 13.978 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.850 -12.496 14.008 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.782 -12.232 12.386 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.548 -13.266 12.399 1.00 0.00 H new ATOM 874 N HIS A 59 12.331 -11.131 17.882 1.00 0.00 N ATOM 875 CA HIS A 59 13.025 -12.370 18.206 1.00 0.00 C ATOM 876 C HIS A 59 12.484 -12.987 19.501 1.00 0.00 C ATOM 877 O HIS A 59 12.544 -14.202 19.691 1.00 0.00 O ATOM 878 CB HIS A 59 14.529 -12.097 18.333 1.00 0.00 C ATOM 879 CG HIS A 59 15.355 -13.318 18.606 1.00 0.00 C ATOM 880 ND1 HIS A 59 15.852 -13.625 19.852 1.00 0.00 N ATOM 881 CD2 HIS A 59 15.770 -14.307 17.782 1.00 0.00 C ATOM 882 CE1 HIS A 59 16.539 -14.751 19.784 1.00 0.00 C ATOM 883 NE2 HIS A 59 16.505 -15.187 18.538 1.00 0.00 N ATOM 0 H HIS A 59 12.936 -10.310 17.853 1.00 0.00 H new ATOM 0 HA HIS A 59 12.852 -13.085 17.401 1.00 0.00 H new ATOM 0 HB2 HIS A 59 14.881 -11.632 17.412 1.00 0.00 H new ATOM 0 HB3 HIS A 59 14.690 -11.377 19.135 1.00 0.00 H new ATOM 0 HD2 HIS A 59 15.562 -14.389 16.725 1.00 0.00 H new ATOM 0 HE1 HIS A 59 17.043 -15.234 20.608 1.00 0.00 H new ATOM 0 HE2 HIS A 59 16.951 -16.037 18.194 1.00 0.00 H new ATOM 892 N ALA A 60 11.954 -12.147 20.382 1.00 0.00 N ATOM 893 CA ALA A 60 11.480 -12.603 21.681 1.00 0.00 C ATOM 894 C ALA A 60 9.991 -12.954 21.663 1.00 0.00 C ATOM 895 O ALA A 60 9.595 -14.024 22.127 1.00 0.00 O ATOM 896 CB ALA A 60 11.759 -11.543 22.736 1.00 0.00 C ATOM 0 H ALA A 60 11.842 -11.146 20.220 1.00 0.00 H new ATOM 0 HA ALA A 60 12.023 -13.516 21.927 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.402 -11.891 23.705 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.832 -11.357 22.790 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.244 -10.620 22.470 1.00 0.00 H new ATOM 902 N THR A 61 9.168 -12.062 21.125 1.00 0.00 N ATOM 903 CA THR A 61 7.717 -12.236 21.180 1.00 0.00 C ATOM 904 C THR A 61 7.163 -12.936 19.941 1.00 0.00 C ATOM 905 O THR A 61 6.064 -13.489 19.974 1.00 0.00 O ATOM 906 CB THR A 61 6.991 -10.886 21.344 1.00 0.00 C ATOM 907 OG1 THR A 61 7.524 -9.927 20.419 1.00 0.00 O ATOM 908 CG2 THR A 61 7.115 -10.358 22.765 1.00 0.00 C ATOM 0 H THR A 61 9.476 -11.215 20.648 1.00 0.00 H new ATOM 0 HA THR A 61 7.531 -12.865 22.051 1.00 0.00 H new ATOM 0 HB THR A 61 5.933 -11.046 21.134 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.200 -9.032 20.652 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.592 -9.405 22.846 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.674 -11.074 23.459 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.168 -10.216 23.010 1.00 0.00 H new ATOM 916 N GLY A 62 7.917 -12.909 18.851 1.00 0.00 N ATOM 917 CA GLY A 62 7.427 -13.466 17.606 1.00 0.00 C ATOM 918 C GLY A 62 6.347 -12.598 16.988 1.00 0.00 C ATOM 919 O GLY A 62 5.355 -13.100 16.465 1.00 0.00 O ATOM 0 H GLY A 62 8.856 -12.513 18.806 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.254 -13.572 16.904 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.032 -14.466 17.786 1.00 0.00 H new ATOM 923 N HIS A 63 6.539 -11.288 17.061 1.00 0.00 N ATOM 924 CA HIS A 63 5.573 -10.338 16.520 1.00 0.00 C ATOM 925 C HIS A 63 6.133 -9.705 15.251 1.00 0.00 C ATOM 926 O HIS A 63 6.958 -8.794 15.315 1.00 0.00 O ATOM 927 CB HIS A 63 5.237 -9.257 17.552 1.00 0.00 C ATOM 928 CG HIS A 63 4.490 -9.756 18.759 1.00 0.00 C ATOM 929 ND1 HIS A 63 4.371 -8.985 19.892 1.00 0.00 N ATOM 930 CD2 HIS A 63 3.815 -10.918 18.951 1.00 0.00 C ATOM 931 CE1 HIS A 63 3.633 -9.675 20.734 1.00 0.00 C ATOM 932 NE2 HIS A 63 3.272 -10.855 20.211 1.00 0.00 N ATOM 0 H HIS A 63 7.357 -10.857 17.491 1.00 0.00 H new ATOM 0 HA HIS A 63 4.653 -10.871 16.279 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.164 -8.788 17.883 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.643 -8.482 17.067 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.723 -11.734 18.249 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.354 -9.334 21.720 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.702 -11.570 20.663 1.00 0.00 H new ATOM 940 N PRO A 64 5.694 -10.191 14.082 1.00 0.00 N ATOM 941 CA PRO A 64 6.332 -9.885 12.801 1.00 0.00 C ATOM 942 C PRO A 64 5.864 -8.592 12.126 1.00 0.00 C ATOM 943 O PRO A 64 6.253 -8.324 10.990 1.00 0.00 O ATOM 944 CB PRO A 64 5.933 -11.088 11.951 1.00 0.00 C ATOM 945 CG PRO A 64 4.580 -11.469 12.451 1.00 0.00 C ATOM 946 CD PRO A 64 4.542 -11.099 13.915 1.00 0.00 C ATOM 0 HA PRO A 64 7.402 -9.721 12.931 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.907 -10.834 10.891 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.643 -11.907 12.065 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.801 -10.944 11.898 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.403 -12.536 12.316 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.605 -10.608 14.179 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.631 -11.979 14.552 1.00 0.00 H new ATOM 954 N ILE A 65 5.042 -7.793 12.791 1.00 0.00 N ATOM 955 CA ILE A 65 4.557 -6.560 12.175 1.00 0.00 C ATOM 956 C ILE A 65 4.778 -5.344 13.066 1.00 0.00 C ATOM 957 O ILE A 65 4.400 -5.329 14.243 1.00 0.00 O ATOM 958 CB ILE A 65 3.065 -6.647 11.778 1.00 0.00 C ATOM 959 CG1 ILE A 65 2.877 -7.685 10.667 1.00 0.00 C ATOM 960 CG2 ILE A 65 2.543 -5.282 11.329 1.00 0.00 C ATOM 961 CD1 ILE A 65 1.479 -7.721 10.093 1.00 0.00 C ATOM 0 H ILE A 65 4.701 -7.967 13.736 1.00 0.00 H new ATOM 0 HA ILE A 65 5.148 -6.436 11.267 1.00 0.00 H new ATOM 0 HB ILE A 65 2.491 -6.958 12.651 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.584 -7.475 9.864 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.124 -8.672 11.059 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.492 -5.367 11.054 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.649 -4.566 12.144 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.116 -4.939 10.468 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.425 -8.480 9.313 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.767 -7.962 10.883 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.235 -6.747 9.669 1.00 0.00 H new ATOM 973 N ILE A 66 5.397 -4.327 12.483 1.00 0.00 N ATOM 974 CA ILE A 66 5.641 -3.065 13.161 1.00 0.00 C ATOM 975 C ILE A 66 5.246 -1.900 12.262 1.00 0.00 C ATOM 976 O ILE A 66 5.315 -2.002 11.040 1.00 0.00 O ATOM 977 CB ILE A 66 7.120 -2.907 13.560 1.00 0.00 C ATOM 978 CG1 ILE A 66 8.024 -3.070 12.334 1.00 0.00 C ATOM 979 CG2 ILE A 66 7.487 -3.914 14.636 1.00 0.00 C ATOM 980 CD1 ILE A 66 9.488 -2.842 12.627 1.00 0.00 C ATOM 0 H ILE A 66 5.744 -4.356 11.524 1.00 0.00 H new ATOM 0 HA ILE A 66 5.035 -3.064 14.067 1.00 0.00 H new ATOM 0 HB ILE A 66 7.268 -1.905 13.963 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.895 -4.074 11.929 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.704 -2.371 11.561 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.535 -3.790 14.908 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.863 -3.751 15.515 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.327 -4.924 14.259 1.00 0.00 H new ATOM 0 HD11 ILE A 66 10.067 -2.974 11.713 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.630 -1.829 13.003 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.825 -3.558 13.377 1.00 0.00 H new ATOM 992 N GLU A 67 4.837 -0.803 12.866 1.00 0.00 N ATOM 993 CA GLU A 67 4.414 0.372 12.122 1.00 0.00 C ATOM 994 C GLU A 67 5.343 1.546 12.407 1.00 0.00 C ATOM 995 O GLU A 67 5.847 1.683 13.521 1.00 0.00 O ATOM 996 CB GLU A 67 2.972 0.717 12.502 1.00 0.00 C ATOM 997 CG GLU A 67 2.465 2.027 11.927 1.00 0.00 C ATOM 998 CD GLU A 67 1.010 2.270 12.252 1.00 0.00 C ATOM 999 OE1 GLU A 67 0.653 2.281 13.451 1.00 0.00 O ATOM 1000 OE2 GLU A 67 0.212 2.423 11.315 1.00 0.00 O ATOM 0 H GLU A 67 4.787 -0.698 13.879 1.00 0.00 H new ATOM 0 HA GLU A 67 4.461 0.161 11.054 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.319 -0.089 12.167 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.896 0.758 13.589 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.065 2.849 12.318 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.598 2.022 10.845 1.00 0.00 H new ATOM 1007 N GLY A 68 5.586 2.372 11.396 1.00 0.00 N ATOM 1008 CA GLY A 68 6.399 3.559 11.587 1.00 0.00 C ATOM 1009 C GLY A 68 5.713 4.553 12.499 1.00 0.00 C ATOM 1010 O GLY A 68 4.743 5.196 12.102 1.00 0.00 O ATOM 0 H GLY A 68 5.235 2.241 10.447 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.363 3.278 12.011 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.599 4.025 10.622 1.00 0.00 H new ATOM 1014 N TYR A 69 6.211 4.677 13.722 1.00 0.00 N ATOM 1015 CA TYR A 69 5.540 5.477 14.734 1.00 0.00 C ATOM 1016 C TYR A 69 6.068 6.908 14.762 1.00 0.00 C ATOM 1017 O TYR A 69 5.285 7.854 14.832 1.00 0.00 O ATOM 1018 CB TYR A 69 5.689 4.831 16.114 1.00 0.00 C ATOM 1019 CG TYR A 69 4.894 5.529 17.197 1.00 0.00 C ATOM 1020 CD1 TYR A 69 3.534 5.769 17.040 1.00 0.00 C ATOM 1021 CD2 TYR A 69 5.503 5.952 18.372 1.00 0.00 C ATOM 1022 CE1 TYR A 69 2.804 6.410 18.022 1.00 0.00 C ATOM 1023 CE2 TYR A 69 4.779 6.592 19.360 1.00 0.00 C ATOM 1024 CZ TYR A 69 3.430 6.818 19.180 1.00 0.00 C ATOM 1025 OH TYR A 69 2.705 7.459 20.157 1.00 0.00 O ATOM 0 H TYR A 69 7.075 4.235 14.035 1.00 0.00 H new ATOM 0 HA TYR A 69 4.483 5.517 14.473 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.371 3.790 16.055 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.743 4.828 16.393 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.040 5.449 16.135 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.559 5.778 18.516 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.748 6.590 17.883 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.267 6.914 20.268 1.00 0.00 H new ATOM 0 HH TYR A 69 3.317 7.893 20.787 1.00 0.00 H new ATOM 1035 N ASP A 70 7.387 7.073 14.700 1.00 0.00 N ATOM 1036 CA ASP A 70 7.980 8.410 14.784 1.00 0.00 C ATOM 1037 C ASP A 70 7.629 9.279 13.557 1.00 0.00 C ATOM 1038 O ASP A 70 7.410 10.481 13.717 1.00 0.00 O ATOM 1039 CB ASP A 70 9.505 8.358 15.022 1.00 0.00 C ATOM 1040 CG ASP A 70 10.329 8.138 13.769 1.00 0.00 C ATOM 1041 OD1 ASP A 70 10.530 6.968 13.389 1.00 0.00 O ATOM 1042 OD2 ASP A 70 10.793 9.132 13.173 1.00 0.00 O ATOM 0 H ASP A 70 8.058 6.313 14.594 1.00 0.00 H new ATOM 0 HA ASP A 70 7.536 8.889 15.656 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.819 9.291 15.489 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.723 7.558 15.730 1.00 0.00 H new ATOM 1047 N PRO A 71 7.547 8.721 12.319 1.00 0.00 N ATOM 1048 CA PRO A 71 7.097 9.472 11.160 1.00 0.00 C ATOM 1049 C PRO A 71 5.595 9.306 10.929 1.00 0.00 C ATOM 1050 O PRO A 71 5.100 8.186 10.796 1.00 0.00 O ATOM 1051 CB PRO A 71 7.892 8.849 10.005 1.00 0.00 C ATOM 1052 CG PRO A 71 8.431 7.542 10.517 1.00 0.00 C ATOM 1053 CD PRO A 71 7.903 7.356 11.916 1.00 0.00 C ATOM 0 HA PRO A 71 7.258 10.544 11.270 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.254 8.692 9.135 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.702 9.507 9.692 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.117 6.719 9.875 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.521 7.549 10.516 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.040 6.691 11.936 1.00 0.00 H new ATOM 0 HD3 PRO A 71 8.654 6.923 12.577 1.00 0.00 H new ATOM 1061 N PRO A 72 4.846 10.420 10.883 1.00 0.00 N ATOM 1062 CA PRO A 72 3.392 10.405 10.667 1.00 0.00 C ATOM 1063 C PRO A 72 3.012 10.058 9.224 1.00 0.00 C ATOM 1064 O PRO A 72 2.130 10.681 8.636 1.00 0.00 O ATOM 1065 CB PRO A 72 2.959 11.844 11.000 1.00 0.00 C ATOM 1066 CG PRO A 72 4.155 12.499 11.609 1.00 0.00 C ATOM 1067 CD PRO A 72 5.348 11.786 11.053 1.00 0.00 C ATOM 0 HA PRO A 72 2.906 9.645 11.279 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.638 12.373 10.103 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.116 11.849 11.691 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.186 13.560 11.363 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.129 12.425 12.696 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.676 12.219 10.108 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.198 11.825 11.734 1.00 0.00 H new ATOM 1075 N GLU A 73 3.667 9.049 8.668 1.00 0.00 N ATOM 1076 CA GLU A 73 3.396 8.616 7.306 1.00 0.00 C ATOM 1077 C GLU A 73 2.266 7.592 7.293 1.00 0.00 C ATOM 1078 O GLU A 73 1.281 7.745 6.571 1.00 0.00 O ATOM 1079 CB GLU A 73 4.652 8.010 6.683 1.00 0.00 C ATOM 1080 CG GLU A 73 5.849 8.944 6.683 1.00 0.00 C ATOM 1081 CD GLU A 73 7.090 8.294 6.111 1.00 0.00 C ATOM 1082 OE1 GLU A 73 7.812 7.610 6.867 1.00 0.00 O ATOM 1083 OE2 GLU A 73 7.351 8.460 4.902 1.00 0.00 O ATOM 0 H GLU A 73 4.393 8.513 9.143 1.00 0.00 H new ATOM 0 HA GLU A 73 3.094 9.484 6.720 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.913 7.101 7.225 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.432 7.717 5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.610 9.836 6.104 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.051 9.271 7.703 1.00 0.00 H new ATOM 1090 N GLY A 74 2.413 6.554 8.108 1.00 0.00 N ATOM 1091 CA GLY A 74 1.406 5.513 8.174 1.00 0.00 C ATOM 1092 C GLY A 74 1.752 4.327 7.295 1.00 0.00 C ATOM 1093 O GLY A 74 1.170 4.145 6.223 1.00 0.00 O ATOM 0 H GLY A 74 3.213 6.415 8.725 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.298 5.179 9.206 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.443 5.921 7.868 1.00 0.00 H new ATOM 1097 N TRP A 75 2.709 3.526 7.738 1.00 0.00 N ATOM 1098 CA TRP A 75 3.115 2.339 7.000 1.00 0.00 C ATOM 1099 C TRP A 75 3.516 1.224 7.954 1.00 0.00 C ATOM 1100 O TRP A 75 4.016 1.482 9.051 1.00 0.00 O ATOM 1101 CB TRP A 75 4.263 2.657 6.027 1.00 0.00 C ATOM 1102 CG TRP A 75 5.417 3.395 6.642 1.00 0.00 C ATOM 1103 CD1 TRP A 75 5.617 4.744 6.627 1.00 0.00 C ATOM 1104 CD2 TRP A 75 6.534 2.832 7.345 1.00 0.00 C ATOM 1105 NE1 TRP A 75 6.783 5.057 7.280 1.00 0.00 N ATOM 1106 CE2 TRP A 75 7.363 3.902 7.730 1.00 0.00 C ATOM 1107 CE3 TRP A 75 6.911 1.530 7.691 1.00 0.00 C ATOM 1108 CZ2 TRP A 75 8.545 3.710 8.441 1.00 0.00 C ATOM 1109 CZ3 TRP A 75 8.085 1.341 8.396 1.00 0.00 C ATOM 1110 CH2 TRP A 75 8.889 2.426 8.764 1.00 0.00 C ATOM 0 H TRP A 75 3.220 3.677 8.608 1.00 0.00 H new ATOM 0 HA TRP A 75 2.261 2.001 6.414 1.00 0.00 H new ATOM 0 HB2 TRP A 75 4.631 1.723 5.602 1.00 0.00 H new ATOM 0 HB3 TRP A 75 3.868 3.249 5.201 1.00 0.00 H new ATOM 0 HD1 TRP A 75 4.954 5.462 6.168 1.00 0.00 H new ATOM 0 HE1 TRP A 75 7.156 5.997 7.409 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.296 0.687 7.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 9.168 4.545 8.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 8.387 0.340 8.667 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.800 2.246 9.315 1.00 0.00 H new ATOM 1121 N GLY A 76 3.292 -0.011 7.530 1.00 0.00 N ATOM 1122 CA GLY A 76 3.626 -1.151 8.355 1.00 0.00 C ATOM 1123 C GLY A 76 4.631 -2.063 7.686 1.00 0.00 C ATOM 1124 O GLY A 76 4.551 -2.306 6.480 1.00 0.00 O ATOM 0 H GLY A 76 2.883 -0.243 6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.029 -0.804 9.306 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.720 -1.714 8.579 1.00 0.00 H new ATOM 1128 N TRP A 77 5.575 -2.565 8.466 1.00 0.00 N ATOM 1129 CA TRP A 77 6.598 -3.460 7.957 1.00 0.00 C ATOM 1130 C TRP A 77 6.396 -4.852 8.538 1.00 0.00 C ATOM 1131 O TRP A 77 6.141 -5.005 9.734 1.00 0.00 O ATOM 1132 CB TRP A 77 7.993 -2.932 8.313 1.00 0.00 C ATOM 1133 CG TRP A 77 9.118 -3.761 7.761 1.00 0.00 C ATOM 1134 CD1 TRP A 77 9.785 -4.772 8.396 1.00 0.00 C ATOM 1135 CD2 TRP A 77 9.708 -3.647 6.461 1.00 0.00 C ATOM 1136 NE1 TRP A 77 10.750 -5.292 7.567 1.00 0.00 N ATOM 1137 CE2 TRP A 77 10.722 -4.618 6.375 1.00 0.00 C ATOM 1138 CE3 TRP A 77 9.476 -2.819 5.361 1.00 0.00 C ATOM 1139 CZ2 TRP A 77 11.503 -4.782 5.234 1.00 0.00 C ATOM 1140 CZ3 TRP A 77 10.251 -2.982 4.228 1.00 0.00 C ATOM 1141 CH2 TRP A 77 11.253 -3.957 4.172 1.00 0.00 C ATOM 0 H TRP A 77 5.653 -2.364 9.463 1.00 0.00 H new ATOM 0 HA TRP A 77 6.517 -3.512 6.871 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.090 -1.912 7.941 1.00 0.00 H new ATOM 0 HB3 TRP A 77 8.087 -2.886 9.398 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.583 -5.112 9.401 1.00 0.00 H new ATOM 0 HE1 TRP A 77 11.384 -6.056 7.801 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.704 -2.064 5.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 12.278 -5.533 5.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 10.080 -2.346 3.372 1.00 0.00 H new ATOM 0 HH2 TRP A 77 11.841 -4.060 3.272 1.00 0.00 H new ATOM 1152 N CYS A 78 6.491 -5.859 7.689 1.00 0.00 N ATOM 1153 CA CYS A 78 6.323 -7.235 8.123 1.00 0.00 C ATOM 1154 C CYS A 78 7.655 -7.970 8.015 1.00 0.00 C ATOM 1155 O CYS A 78 8.135 -8.214 6.915 1.00 0.00 O ATOM 1156 CB CYS A 78 5.255 -7.920 7.268 1.00 0.00 C ATOM 1157 SG CYS A 78 4.558 -9.437 7.996 1.00 0.00 S ATOM 0 H CYS A 78 6.684 -5.750 6.693 1.00 0.00 H new ATOM 0 HA CYS A 78 5.997 -7.255 9.163 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.445 -7.214 7.088 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.687 -8.164 6.297 1.00 0.00 H new ATOM 1162 N TYR A 79 8.240 -8.314 9.164 1.00 0.00 N ATOM 1163 CA TYR A 79 9.589 -8.893 9.230 1.00 0.00 C ATOM 1164 C TYR A 79 9.777 -10.087 8.294 1.00 0.00 C ATOM 1165 O TYR A 79 10.634 -10.061 7.412 1.00 0.00 O ATOM 1166 CB TYR A 79 9.916 -9.330 10.661 1.00 0.00 C ATOM 1167 CG TYR A 79 10.209 -8.193 11.615 1.00 0.00 C ATOM 1168 CD1 TYR A 79 11.386 -7.462 11.507 1.00 0.00 C ATOM 1169 CD2 TYR A 79 9.323 -7.861 12.634 1.00 0.00 C ATOM 1170 CE1 TYR A 79 11.670 -6.435 12.385 1.00 0.00 C ATOM 1171 CE2 TYR A 79 9.600 -6.833 13.513 1.00 0.00 C ATOM 1172 CZ TYR A 79 10.774 -6.125 13.384 1.00 0.00 C ATOM 1173 OH TYR A 79 11.055 -5.108 14.264 1.00 0.00 O ATOM 0 H TYR A 79 7.795 -8.201 10.075 1.00 0.00 H new ATOM 0 HA TYR A 79 10.270 -8.106 8.906 1.00 0.00 H new ATOM 0 HB2 TYR A 79 9.078 -9.907 11.051 1.00 0.00 H new ATOM 0 HB3 TYR A 79 10.778 -9.997 10.635 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.090 -7.701 10.724 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.403 -8.417 12.740 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.590 -5.878 12.289 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.900 -6.586 14.297 1.00 0.00 H new ATOM 0 HH TYR A 79 10.782 -5.372 15.167 1.00 0.00 H new ATOM 1183 N VAL A 80 8.976 -11.129 8.491 1.00 0.00 N ATOM 1184 CA VAL A 80 9.133 -12.376 7.739 1.00 0.00 C ATOM 1185 C VAL A 80 8.773 -12.211 6.262 1.00 0.00 C ATOM 1186 O VAL A 80 9.179 -13.012 5.420 1.00 0.00 O ATOM 1187 CB VAL A 80 8.301 -13.525 8.356 1.00 0.00 C ATOM 1188 CG1 VAL A 80 8.864 -13.923 9.710 1.00 0.00 C ATOM 1189 CG2 VAL A 80 6.835 -13.136 8.487 1.00 0.00 C ATOM 0 H VAL A 80 8.210 -11.138 9.165 1.00 0.00 H new ATOM 0 HA VAL A 80 10.190 -12.636 7.803 1.00 0.00 H new ATOM 0 HB VAL A 80 8.364 -14.381 7.684 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.266 -14.732 10.129 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.895 -14.257 9.592 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.836 -13.065 10.382 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.276 -13.964 8.924 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.747 -12.260 9.130 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.430 -12.905 7.502 1.00 0.00 H new ATOM 1199 N ASP A 81 8.005 -11.178 5.951 1.00 0.00 N ATOM 1200 CA ASP A 81 7.602 -10.914 4.573 1.00 0.00 C ATOM 1201 C ASP A 81 8.628 -10.028 3.889 1.00 0.00 C ATOM 1202 O ASP A 81 8.910 -10.189 2.702 1.00 0.00 O ATOM 1203 CB ASP A 81 6.249 -10.205 4.520 1.00 0.00 C ATOM 1204 CG ASP A 81 5.116 -10.991 5.141 1.00 0.00 C ATOM 1205 OD1 ASP A 81 5.320 -11.627 6.189 1.00 0.00 O ATOM 1206 OD2 ASP A 81 3.991 -10.916 4.625 1.00 0.00 O ATOM 0 H ASP A 81 7.647 -10.508 6.632 1.00 0.00 H new ATOM 0 HA ASP A 81 7.528 -11.875 4.064 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.333 -9.245 5.030 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.002 -9.993 3.480 1.00 0.00 H new ATOM 1211 N GLU A 82 9.166 -9.087 4.664 1.00 0.00 N ATOM 1212 CA GLU A 82 10.092 -8.075 4.167 1.00 0.00 C ATOM 1213 C GLU A 82 9.391 -7.162 3.170 1.00 0.00 C ATOM 1214 O GLU A 82 9.999 -6.659 2.225 1.00 0.00 O ATOM 1215 CB GLU A 82 11.332 -8.715 3.547 1.00 0.00 C ATOM 1216 CG GLU A 82 12.174 -9.487 4.547 1.00 0.00 C ATOM 1217 CD GLU A 82 13.456 -10.002 3.941 1.00 0.00 C ATOM 1218 OE1 GLU A 82 14.434 -9.230 3.876 1.00 0.00 O ATOM 1219 OE2 GLU A 82 13.490 -11.176 3.518 1.00 0.00 O ATOM 0 H GLU A 82 8.969 -9.007 5.662 1.00 0.00 H new ATOM 0 HA GLU A 82 10.424 -7.472 5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.023 -9.388 2.747 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.944 -7.937 3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.409 -8.843 5.394 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.596 -10.326 4.935 1.00 0.00 H new ATOM 1226 N VAL A 83 8.102 -6.949 3.403 1.00 0.00 N ATOM 1227 CA VAL A 83 7.314 -6.038 2.590 1.00 0.00 C ATOM 1228 C VAL A 83 6.725 -4.934 3.459 1.00 0.00 C ATOM 1229 O VAL A 83 6.437 -5.144 4.645 1.00 0.00 O ATOM 1230 CB VAL A 83 6.172 -6.758 1.829 1.00 0.00 C ATOM 1231 CG1 VAL A 83 6.727 -7.836 0.911 1.00 0.00 C ATOM 1232 CG2 VAL A 83 5.142 -7.346 2.789 1.00 0.00 C ATOM 0 H VAL A 83 7.579 -7.399 4.154 1.00 0.00 H new ATOM 0 HA VAL A 83 7.989 -5.612 1.848 1.00 0.00 H new ATOM 0 HB VAL A 83 5.666 -6.012 1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.906 -8.327 0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.401 -7.383 0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.272 -8.572 1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.356 -7.843 2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.627 -8.069 3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.706 -6.547 3.389 1.00 0.00 H new ATOM 1242 N MET A 84 6.569 -3.758 2.872 1.00 0.00 N ATOM 1243 CA MET A 84 5.973 -2.626 3.565 1.00 0.00 C ATOM 1244 C MET A 84 4.608 -2.319 2.967 1.00 0.00 C ATOM 1245 O MET A 84 4.476 -2.191 1.751 1.00 0.00 O ATOM 1246 CB MET A 84 6.875 -1.393 3.453 1.00 0.00 C ATOM 1247 CG MET A 84 6.335 -0.175 4.186 1.00 0.00 C ATOM 1248 SD MET A 84 7.298 1.317 3.869 1.00 0.00 S ATOM 1249 CE MET A 84 8.906 0.831 4.497 1.00 0.00 C ATOM 0 H MET A 84 6.849 -3.562 1.911 1.00 0.00 H new ATOM 0 HA MET A 84 5.860 -2.882 4.619 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.861 -1.637 3.849 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.007 -1.144 2.400 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.301 -0.005 3.886 1.00 0.00 H new ATOM 0 HG3 MET A 84 6.327 -0.376 5.257 1.00 0.00 H new ATOM 0 HE1 MET A 84 9.538 1.713 4.602 1.00 0.00 H new ATOM 0 HE2 MET A 84 8.787 0.352 5.469 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.372 0.132 3.802 1.00 0.00 H new ATOM 1259 N PHE A 85 3.593 -2.208 3.809 1.00 0.00 N ATOM 1260 CA PHE A 85 2.248 -1.915 3.333 1.00 0.00 C ATOM 1261 C PHE A 85 1.728 -0.616 3.934 1.00 0.00 C ATOM 1262 O PHE A 85 2.338 -0.057 4.848 1.00 0.00 O ATOM 1263 CB PHE A 85 1.292 -3.079 3.626 1.00 0.00 C ATOM 1264 CG PHE A 85 1.271 -3.538 5.058 1.00 0.00 C ATOM 1265 CD1 PHE A 85 2.141 -4.526 5.493 1.00 0.00 C ATOM 1266 CD2 PHE A 85 0.372 -2.997 5.961 1.00 0.00 C ATOM 1267 CE1 PHE A 85 2.117 -4.961 6.804 1.00 0.00 C ATOM 1268 CE2 PHE A 85 0.342 -3.430 7.272 1.00 0.00 C ATOM 1269 CZ PHE A 85 1.216 -4.412 7.694 1.00 0.00 C ATOM 0 H PHE A 85 3.672 -2.315 4.820 1.00 0.00 H new ATOM 0 HA PHE A 85 2.297 -1.789 2.251 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.283 -2.782 3.341 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.566 -3.923 2.993 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.845 -4.960 4.799 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.313 -2.228 5.637 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.802 -5.729 7.132 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.365 -3.001 7.967 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.195 -4.750 8.719 1.00 0.00 H new ATOM 1279 N ASP A 86 0.605 -0.140 3.411 1.00 0.00 N ATOM 1280 CA ASP A 86 0.063 1.154 3.810 1.00 0.00 C ATOM 1281 C ASP A 86 -0.862 1.023 5.010 1.00 0.00 C ATOM 1282 O ASP A 86 -1.704 0.125 5.066 1.00 0.00 O ATOM 1283 CB ASP A 86 -0.692 1.802 2.648 1.00 0.00 C ATOM 1284 CG ASP A 86 -1.225 3.179 2.999 1.00 0.00 C ATOM 1285 OD1 ASP A 86 -2.325 3.271 3.586 1.00 0.00 O ATOM 1286 OD2 ASP A 86 -0.549 4.178 2.686 1.00 0.00 O ATOM 0 H ASP A 86 0.051 -0.631 2.709 1.00 0.00 H new ATOM 0 HA ASP A 86 0.904 1.787 4.091 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.029 1.881 1.787 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.521 1.159 2.354 1.00 0.00 H new ATOM 1291 N LEU A 87 -0.695 1.927 5.962 1.00 0.00 N ATOM 1292 CA LEU A 87 -1.549 1.988 7.139 1.00 0.00 C ATOM 1293 C LEU A 87 -1.931 3.433 7.428 1.00 0.00 C ATOM 1294 O LEU A 87 -2.231 3.785 8.561 1.00 0.00 O ATOM 1295 CB LEU A 87 -0.836 1.393 8.358 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.678 -0.128 8.354 1.00 0.00 C ATOM 1297 CD1 LEU A 87 0.149 -0.578 9.547 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -2.042 -0.803 8.373 1.00 0.00 C ATOM 0 H LEU A 87 0.035 2.639 5.941 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.449 1.405 6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.154 1.843 8.433 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.386 1.681 9.254 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.158 -0.419 7.441 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.252 -1.663 9.530 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.136 -0.119 9.499 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.348 -0.275 10.469 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.912 -1.885 8.370 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.583 -0.505 9.271 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.609 -0.503 7.492 1.00 0.00 H new ATOM 1310 N SER A 88 -1.951 4.258 6.388 1.00 0.00 N ATOM 1311 CA SER A 88 -2.172 5.692 6.547 1.00 0.00 C ATOM 1312 C SER A 88 -3.516 6.001 7.215 1.00 0.00 C ATOM 1313 O SER A 88 -3.629 6.960 7.979 1.00 0.00 O ATOM 1314 CB SER A 88 -2.071 6.396 5.190 1.00 0.00 C ATOM 1315 OG SER A 88 -2.887 5.766 4.214 1.00 0.00 O ATOM 0 H SER A 88 -1.817 3.958 5.422 1.00 0.00 H new ATOM 0 HA SER A 88 -1.392 6.072 7.207 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.370 7.439 5.297 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.034 6.394 4.855 1.00 0.00 H new ATOM 0 HG SER A 88 -2.502 4.897 3.977 1.00 0.00 H new ATOM 1321 N ASP A 89 -4.525 5.179 6.949 1.00 0.00 N ATOM 1322 CA ASP A 89 -5.850 5.394 7.529 1.00 0.00 C ATOM 1323 C ASP A 89 -6.049 4.588 8.804 1.00 0.00 C ATOM 1324 O ASP A 89 -7.097 4.675 9.440 1.00 0.00 O ATOM 1325 CB ASP A 89 -6.955 5.036 6.531 1.00 0.00 C ATOM 1326 CG ASP A 89 -7.312 6.186 5.615 1.00 0.00 C ATOM 1327 OD1 ASP A 89 -7.814 7.214 6.119 1.00 0.00 O ATOM 1328 OD2 ASP A 89 -7.110 6.065 4.388 1.00 0.00 O ATOM 0 H ASP A 89 -4.455 4.363 6.341 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.913 6.454 7.774 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.634 4.185 5.930 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.845 4.723 7.078 1.00 0.00 H new ATOM 1333 N ARG A 90 -5.048 3.807 9.185 1.00 0.00 N ATOM 1334 CA ARG A 90 -5.171 2.931 10.347 1.00 0.00 C ATOM 1335 C ARG A 90 -3.955 3.077 11.253 1.00 0.00 C ATOM 1336 O ARG A 90 -3.686 2.217 12.092 1.00 0.00 O ATOM 1337 CB ARG A 90 -5.306 1.471 9.897 1.00 0.00 C ATOM 1338 CG ARG A 90 -6.292 1.269 8.758 1.00 0.00 C ATOM 1339 CD ARG A 90 -6.434 -0.198 8.394 1.00 0.00 C ATOM 1340 NE ARG A 90 -7.065 -0.375 7.088 1.00 0.00 N ATOM 1341 CZ ARG A 90 -8.153 -1.112 6.871 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -8.810 -1.662 7.887 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -8.605 -1.268 5.631 1.00 0.00 N ATOM 0 H ARG A 90 -4.146 3.760 8.711 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.064 3.219 10.902 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.327 1.104 9.587 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.619 0.866 10.748 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.265 1.669 9.043 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.960 1.830 7.885 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.451 -0.668 8.389 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.026 -0.706 9.155 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.644 0.098 6.288 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.482 -1.521 8.842 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.642 -2.225 7.711 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.119 -0.824 4.852 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.438 -1.831 5.459 1.00 0.00 H new ATOM 1357 N MET A 91 -3.237 4.178 11.081 1.00 0.00 N ATOM 1358 CA MET A 91 -1.974 4.399 11.777 1.00 0.00 C ATOM 1359 C MET A 91 -2.192 4.706 13.251 1.00 0.00 C ATOM 1360 O MET A 91 -3.210 5.286 13.632 1.00 0.00 O ATOM 1361 CB MET A 91 -1.194 5.544 11.121 1.00 0.00 C ATOM 1362 CG MET A 91 -1.935 6.874 11.121 1.00 0.00 C ATOM 1363 SD MET A 91 -0.968 8.214 10.394 1.00 0.00 S ATOM 1364 CE MET A 91 0.433 8.256 11.511 1.00 0.00 C ATOM 0 H MET A 91 -3.510 4.940 10.460 1.00 0.00 H new ATOM 0 HA MET A 91 -1.396 3.478 11.703 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.244 5.668 11.641 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.961 5.269 10.092 1.00 0.00 H new ATOM 0 HG2 MET A 91 -2.868 6.765 10.569 1.00 0.00 H new ATOM 0 HG3 MET A 91 -2.200 7.137 12.145 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.691 9.292 11.732 1.00 0.00 H new ATOM 0 HE2 MET A 91 0.176 7.740 12.436 1.00 0.00 H new ATOM 0 HE3 MET A 91 1.285 7.762 11.045 1.00 0.00 H new ATOM 1374 N THR A 92 -1.232 4.304 14.074 1.00 0.00 N ATOM 1375 CA THR A 92 -1.268 4.594 15.496 1.00 0.00 C ATOM 1376 C THR A 92 -1.024 6.083 15.740 1.00 0.00 C ATOM 1377 O THR A 92 0.028 6.617 15.383 1.00 0.00 O ATOM 1378 CB THR A 92 -0.213 3.771 16.258 1.00 0.00 C ATOM 1379 OG1 THR A 92 -0.310 2.388 15.886 1.00 0.00 O ATOM 1380 CG2 THR A 92 -0.402 3.908 17.761 1.00 0.00 C ATOM 0 H THR A 92 -0.414 3.772 13.775 1.00 0.00 H new ATOM 0 HA THR A 92 -2.257 4.321 15.865 1.00 0.00 H new ATOM 0 HB THR A 92 0.774 4.152 15.995 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.004 2.274 14.965 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.355 3.318 18.278 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.303 4.955 18.046 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.393 3.549 18.037 1.00 0.00 H new ATOM 1388 N PRO A 93 -2.006 6.772 16.337 1.00 0.00 N ATOM 1389 CA PRO A 93 -1.916 8.208 16.604 1.00 0.00 C ATOM 1390 C PRO A 93 -0.840 8.545 17.631 1.00 0.00 C ATOM 1391 O PRO A 93 -0.685 7.849 18.638 1.00 0.00 O ATOM 1392 CB PRO A 93 -3.302 8.570 17.153 1.00 0.00 C ATOM 1393 CG PRO A 93 -4.180 7.415 16.810 1.00 0.00 C ATOM 1394 CD PRO A 93 -3.285 6.212 16.789 1.00 0.00 C ATOM 0 HA PRO A 93 -1.642 8.762 15.707 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.268 8.731 18.231 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -3.673 9.492 16.705 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.976 7.297 17.545 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.659 7.562 15.842 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.201 5.752 17.774 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.654 5.444 16.109 1.00 0.00 H new ATOM 1402 N HIS A 94 -0.100 9.615 17.367 1.00 0.00 N ATOM 1403 CA HIS A 94 0.917 10.099 18.293 1.00 0.00 C ATOM 1404 C HIS A 94 0.276 10.508 19.612 1.00 0.00 C ATOM 1405 O HIS A 94 -0.766 11.161 19.629 1.00 0.00 O ATOM 1406 CB HIS A 94 1.679 11.286 17.694 1.00 0.00 C ATOM 1407 CG HIS A 94 2.665 10.912 16.628 1.00 0.00 C ATOM 1408 ND1 HIS A 94 3.873 11.550 16.472 1.00 0.00 N ATOM 1409 CD2 HIS A 94 2.616 9.968 15.660 1.00 0.00 C ATOM 1410 CE1 HIS A 94 4.523 11.018 15.456 1.00 0.00 C ATOM 1411 NE2 HIS A 94 3.786 10.051 14.943 1.00 0.00 N ATOM 0 H HIS A 94 -0.186 10.167 16.514 1.00 0.00 H new ATOM 0 HA HIS A 94 1.624 9.290 18.475 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.960 11.991 17.276 1.00 0.00 H new ATOM 0 HB3 HIS A 94 2.206 11.805 18.494 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.806 9.276 15.483 1.00 0.00 H new ATOM 0 HE1 HIS A 94 5.497 11.323 15.102 1.00 0.00 H new ATOM 0 HE2 HIS A 94 4.041 9.464 14.149 1.00 0.00 H new ATOM 1420 N ASN A 95 0.895 10.114 20.713 1.00 0.00 N ATOM 1421 CA ASN A 95 0.349 10.388 22.037 1.00 0.00 C ATOM 1422 C ASN A 95 1.060 11.564 22.702 1.00 0.00 C ATOM 1423 O ASN A 95 0.914 11.790 23.903 1.00 0.00 O ATOM 1424 CB ASN A 95 0.447 9.138 22.921 1.00 0.00 C ATOM 1425 CG ASN A 95 1.879 8.708 23.204 1.00 0.00 C ATOM 1426 OD1 ASN A 95 2.798 8.985 22.430 1.00 0.00 O ATOM 1427 ND2 ASN A 95 2.074 8.007 24.309 1.00 0.00 N ATOM 0 H ASN A 95 1.777 9.602 20.718 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.700 10.658 21.917 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.060 9.330 23.866 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.082 8.317 22.437 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.010 7.676 24.545 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.289 7.797 24.925 1.00 0.00 H new ATOM 1434 N GLY A 96 1.821 12.317 21.919 1.00 0.00 N ATOM 1435 CA GLY A 96 2.506 13.477 22.453 1.00 0.00 C ATOM 1436 C GLY A 96 3.792 13.781 21.714 1.00 0.00 C ATOM 1437 O GLY A 96 4.092 13.144 20.703 1.00 0.00 O ATOM 0 H GLY A 96 1.976 12.146 20.926 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.846 14.342 22.398 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.727 13.311 23.507 1.00 0.00 H new ATOM 1441 N PRO A 97 4.571 14.761 22.199 1.00 0.00 N ATOM 1442 CA PRO A 97 5.842 15.153 21.586 1.00 0.00 C ATOM 1443 C PRO A 97 6.936 14.116 21.820 1.00 0.00 C ATOM 1444 O PRO A 97 7.245 13.770 22.961 1.00 0.00 O ATOM 1445 CB PRO A 97 6.205 16.472 22.288 1.00 0.00 C ATOM 1446 CG PRO A 97 5.004 16.851 23.093 1.00 0.00 C ATOM 1447 CD PRO A 97 4.276 15.572 23.384 1.00 0.00 C ATOM 0 HA PRO A 97 5.752 15.247 20.504 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.080 16.347 22.926 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.449 17.247 21.561 1.00 0.00 H new ATOM 0 HG2 PRO A 97 5.296 17.352 24.016 1.00 0.00 H new ATOM 0 HG3 PRO A 97 4.369 17.544 22.542 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.635 15.100 24.298 1.00 0.00 H new ATOM 0 HD3 PRO A 97 3.205 15.734 23.508 1.00 0.00 H new ATOM 1455 N ILE A 98 7.524 13.631 20.739 1.00 0.00 N ATOM 1456 CA ILE A 98 8.564 12.617 20.824 1.00 0.00 C ATOM 1457 C ILE A 98 9.946 13.264 20.809 1.00 0.00 C ATOM 1458 O ILE A 98 10.232 14.103 19.953 1.00 0.00 O ATOM 1459 CB ILE A 98 8.454 11.612 19.655 1.00 0.00 C ATOM 1460 CG1 ILE A 98 7.068 10.959 19.650 1.00 0.00 C ATOM 1461 CG2 ILE A 98 9.548 10.555 19.749 1.00 0.00 C ATOM 1462 CD1 ILE A 98 6.866 9.950 18.539 1.00 0.00 C ATOM 0 H ILE A 98 7.298 13.924 19.788 1.00 0.00 H new ATOM 0 HA ILE A 98 8.428 12.081 21.763 1.00 0.00 H new ATOM 0 HB ILE A 98 8.587 12.152 18.718 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.907 10.466 20.609 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.311 11.738 19.561 1.00 0.00 H new ATOM 0 HG21 ILE A 98 9.453 9.858 18.917 1.00 0.00 H new ATOM 0 HG22 ILE A 98 10.525 11.037 19.708 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.450 10.013 20.690 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.861 9.533 18.604 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.993 10.441 17.574 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.598 9.149 18.638 1.00 0.00 H new ATOM 1474 N PRO A 99 10.808 12.908 21.775 1.00 0.00 N ATOM 1475 CA PRO A 99 12.190 13.396 21.820 1.00 0.00 C ATOM 1476 C PRO A 99 12.998 12.896 20.627 1.00 0.00 C ATOM 1477 O PRO A 99 13.262 11.703 20.499 1.00 0.00 O ATOM 1478 CB PRO A 99 12.749 12.814 23.126 1.00 0.00 C ATOM 1479 CG PRO A 99 11.556 12.385 23.911 1.00 0.00 C ATOM 1480 CD PRO A 99 10.508 12.014 22.903 1.00 0.00 C ATOM 0 HA PRO A 99 12.241 14.484 21.780 1.00 0.00 H new ATOM 0 HB2 PRO A 99 13.413 11.972 22.929 1.00 0.00 H new ATOM 0 HB3 PRO A 99 13.331 13.558 23.670 1.00 0.00 H new ATOM 0 HG2 PRO A 99 11.796 11.538 24.554 1.00 0.00 H new ATOM 0 HG3 PRO A 99 11.206 13.188 24.560 1.00 0.00 H new ATOM 0 HD2 PRO A 99 10.576 10.965 22.616 1.00 0.00 H new ATOM 0 HD3 PRO A 99 9.501 12.174 23.289 1.00 0.00 H new ATOM 1488 N ARG A 100 13.375 13.807 19.747 1.00 0.00 N ATOM 1489 CA ARG A 100 14.099 13.434 18.545 1.00 0.00 C ATOM 1490 C ARG A 100 15.580 13.748 18.711 1.00 0.00 C ATOM 1491 O ARG A 100 15.953 14.869 19.056 1.00 0.00 O ATOM 1492 CB ARG A 100 13.503 14.153 17.328 1.00 0.00 C ATOM 1493 CG ARG A 100 14.039 13.657 15.996 1.00 0.00 C ATOM 1494 CD ARG A 100 15.183 14.518 15.493 1.00 0.00 C ATOM 1495 NE ARG A 100 14.738 15.864 15.138 1.00 0.00 N ATOM 1496 CZ ARG A 100 15.182 16.540 14.082 1.00 0.00 C ATOM 1497 NH1 ARG A 100 16.099 16.009 13.284 1.00 0.00 N ATOM 1498 NH2 ARG A 100 14.708 17.753 13.832 1.00 0.00 N ATOM 0 H ARG A 100 13.193 14.806 19.842 1.00 0.00 H new ATOM 0 HA ARG A 100 14.001 12.361 18.380 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.420 14.031 17.341 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.704 15.221 17.415 1.00 0.00 H new ATOM 0 HG2 ARG A 100 14.379 12.627 16.102 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.236 13.654 15.259 1.00 0.00 H new ATOM 0 HD2 ARG A 100 15.954 14.581 16.261 1.00 0.00 H new ATOM 0 HD3 ARG A 100 15.638 14.045 14.623 1.00 0.00 H new ATOM 0 HE ARG A 100 14.045 16.312 15.737 1.00 0.00 H new ATOM 0 HH11 ARG A 100 16.467 15.078 13.479 1.00 0.00 H new ATOM 0 HH12 ARG A 100 16.436 16.532 12.476 1.00 0.00 H new ATOM 0 HH21 ARG A 100 14.006 18.163 14.448 1.00 0.00 H new ATOM 0 HH22 ARG A 100 15.045 18.276 13.024 1.00 0.00 H new ATOM 1512 N TYR A 101 16.418 12.750 18.465 1.00 0.00 N ATOM 1513 CA TYR A 101 17.851 12.877 18.694 1.00 0.00 C ATOM 1514 C TYR A 101 18.591 13.222 17.407 1.00 0.00 C ATOM 1515 O TYR A 101 19.423 14.129 17.387 1.00 0.00 O ATOM 1516 CB TYR A 101 18.418 11.578 19.276 1.00 0.00 C ATOM 1517 CG TYR A 101 17.856 11.204 20.631 1.00 0.00 C ATOM 1518 CD1 TYR A 101 16.693 10.452 20.742 1.00 0.00 C ATOM 1519 CD2 TYR A 101 18.498 11.592 21.801 1.00 0.00 C ATOM 1520 CE1 TYR A 101 16.186 10.101 21.977 1.00 0.00 C ATOM 1521 CE2 TYR A 101 17.998 11.241 23.040 1.00 0.00 C ATOM 1522 CZ TYR A 101 16.841 10.496 23.122 1.00 0.00 C ATOM 1523 OH TYR A 101 16.340 10.140 24.354 1.00 0.00 O ATOM 0 H TYR A 101 16.129 11.840 18.106 1.00 0.00 H new ATOM 0 HA TYR A 101 17.998 13.689 19.406 1.00 0.00 H new ATOM 0 HB2 TYR A 101 18.222 10.765 18.577 1.00 0.00 H new ATOM 0 HB3 TYR A 101 19.501 11.673 19.359 1.00 0.00 H new ATOM 0 HD1 TYR A 101 16.177 10.137 19.847 1.00 0.00 H new ATOM 0 HD2 TYR A 101 19.403 12.178 21.740 1.00 0.00 H new ATOM 0 HE1 TYR A 101 15.279 9.519 22.045 1.00 0.00 H new ATOM 0 HE2 TYR A 101 18.511 11.549 23.939 1.00 0.00 H new ATOM 0 HH TYR A 101 15.866 9.286 24.280 1.00 0.00 H new ATOM 1533 N VAL A 102 18.289 12.499 16.337 1.00 0.00 N ATOM 1534 CA VAL A 102 19.005 12.671 15.078 1.00 0.00 C ATOM 1535 C VAL A 102 18.240 13.580 14.116 1.00 0.00 C ATOM 1536 O VAL A 102 18.645 14.751 13.966 1.00 0.00 O ATOM 1537 CB VAL A 102 19.324 11.313 14.405 1.00 0.00 C ATOM 1538 CG1 VAL A 102 20.430 10.594 15.163 1.00 0.00 C ATOM 1539 CG2 VAL A 102 18.087 10.427 14.324 1.00 0.00 C ATOM 1540 OXT VAL A 102 17.225 13.141 13.534 1.00 0.00 O ATOM 0 H VAL A 102 17.556 11.790 16.314 1.00 0.00 H new ATOM 0 HA VAL A 102 19.952 13.153 15.320 1.00 0.00 H new ATOM 0 HB VAL A 102 19.660 11.518 13.389 1.00 0.00 H new ATOM 0 HG11 VAL A 102 20.643 9.641 14.678 1.00 0.00 H new ATOM 0 HG12 VAL A 102 21.330 11.210 15.165 1.00 0.00 H new ATOM 0 HG13 VAL A 102 20.111 10.415 16.190 1.00 0.00 H new ATOM 0 HG21 VAL A 102 18.347 9.482 13.846 1.00 0.00 H new ATOM 0 HG22 VAL A 102 17.711 10.234 15.329 1.00 0.00 H new ATOM 0 HG23 VAL A 102 17.317 10.930 13.739 1.00 0.00 H new TER 1550 VAL A 102 HETATM 1551 ZN ZN A 103 3.289 -10.795 6.541 1.00 0.00 ZN HETATM 1552 ZN ZN A 104 5.097 -7.060 20.179 1.00 0.00 ZN