USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 540 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 28 HIS HE2 : A 28 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -175:sc= 0 (180deg=-0.04) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0551 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 24:sc= 0.31 USER MOD Single : A 8 MET CE :methyl -161:sc= -0.0531 (180deg=-0.516) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0251 USER MOD Single : A 14 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.012) USER MOD Single : A 19 SER OG : rot 31:sc= 1.14 USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= 1.26 (180deg=0.421!) USER MOD Single : A 22 LYS NZ :NH3+ -165:sc= -0.0198 (180deg=-0.223) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.45 X(o=-0.45,f=-0.84!) USER MOD Single : A 34 ASN : amide:sc=-0.00602 K(o=-0.006,f=-1.4) USER MOD Single : A 35 CYS SG : rot -89:sc= -4.09! USER MOD Single : A 37 CYS SG : rot 25:sc=-0.000976 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0311) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 30:sc= 0.751 USER MOD Single : A 63 GLN : amide:sc= -0.315 X(o=-0.32,f=-0.32) USER MOD Single : A 64 LYS NZ :NH3+ -112:sc=-2.14e-05 (180deg=-0.68) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000559) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 142:sc= -0.225 (180deg=-1.09) USER MOD Single : A 74 SER OG : rot 180:sc=-0.00625 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.318 18.879 1.497 1.00 0.00 N ATOM 2 CA GLY A 1 17.685 17.479 1.601 1.00 0.00 C ATOM 3 C GLY A 1 17.471 16.926 2.996 1.00 0.00 C ATOM 4 O GLY A 1 16.997 15.802 3.159 1.00 0.00 O ATOM 0 H1 GLY A 1 17.402 19.187 0.507 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.337 19.005 1.817 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.952 19.449 2.092 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.098 16.899 0.889 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.732 17.359 1.323 1.00 0.00 H new ATOM 8 N SER A 2 17.823 17.717 4.005 1.00 0.00 N ATOM 9 CA SER A 2 17.671 17.297 5.393 1.00 0.00 C ATOM 10 C SER A 2 16.407 16.463 5.574 1.00 0.00 C ATOM 11 O SER A 2 16.438 15.390 6.177 1.00 0.00 O ATOM 12 CB SER A 2 17.627 18.518 6.315 1.00 0.00 C ATOM 13 OG SER A 2 17.691 18.131 7.677 1.00 0.00 O ATOM 0 H SER A 2 18.215 18.651 3.887 1.00 0.00 H new ATOM 0 HA SER A 2 18.531 16.682 5.657 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.459 19.183 6.083 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.710 19.080 6.136 1.00 0.00 H new ATOM 0 HG SER A 2 17.663 18.929 8.245 1.00 0.00 H new ATOM 19 N SER A 3 15.294 16.965 5.048 1.00 0.00 N ATOM 20 CA SER A 3 14.017 16.269 5.153 1.00 0.00 C ATOM 21 C SER A 3 13.005 16.837 4.163 1.00 0.00 C ATOM 22 O SER A 3 13.127 17.978 3.719 1.00 0.00 O ATOM 23 CB SER A 3 13.469 16.378 6.578 1.00 0.00 C ATOM 24 OG SER A 3 12.150 15.868 6.657 1.00 0.00 O ATOM 0 H SER A 3 15.251 17.851 4.545 1.00 0.00 H new ATOM 0 HA SER A 3 14.183 15.219 4.914 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.116 15.830 7.263 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.479 17.421 6.896 1.00 0.00 H new ATOM 0 HG SER A 3 11.823 15.947 7.577 1.00 0.00 H new ATOM 30 N GLY A 4 12.005 16.031 3.820 1.00 0.00 N ATOM 31 CA GLY A 4 10.986 16.470 2.884 1.00 0.00 C ATOM 32 C GLY A 4 10.118 17.576 3.449 1.00 0.00 C ATOM 33 O GLY A 4 9.812 17.587 4.641 1.00 0.00 O ATOM 0 H GLY A 4 11.882 15.082 4.173 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.464 16.819 1.969 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.357 15.622 2.612 1.00 0.00 H new ATOM 37 N SER A 5 9.721 18.511 2.592 1.00 0.00 N ATOM 38 CA SER A 5 8.887 19.631 3.013 1.00 0.00 C ATOM 39 C SER A 5 7.408 19.268 2.931 1.00 0.00 C ATOM 40 O SER A 5 7.033 18.282 2.295 1.00 0.00 O ATOM 41 CB SER A 5 9.171 20.860 2.147 1.00 0.00 C ATOM 42 OG SER A 5 10.546 21.200 2.180 1.00 0.00 O ATOM 0 H SER A 5 9.964 18.515 1.601 1.00 0.00 H new ATOM 0 HA SER A 5 9.129 19.862 4.050 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.866 20.663 1.119 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.576 21.703 2.500 1.00 0.00 H new ATOM 0 HG SER A 5 10.702 21.987 1.618 1.00 0.00 H new ATOM 48 N SER A 6 6.570 20.072 3.579 1.00 0.00 N ATOM 49 CA SER A 6 5.132 19.834 3.583 1.00 0.00 C ATOM 50 C SER A 6 4.827 18.351 3.769 1.00 0.00 C ATOM 51 O SER A 6 3.957 17.796 3.100 1.00 0.00 O ATOM 52 CB SER A 6 4.507 20.335 2.280 1.00 0.00 C ATOM 53 OG SER A 6 5.186 19.808 1.153 1.00 0.00 O ATOM 0 H SER A 6 6.863 20.894 4.108 1.00 0.00 H new ATOM 0 HA SER A 6 4.700 20.384 4.420 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.456 20.047 2.243 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.540 21.424 2.252 1.00 0.00 H new ATOM 0 HG SER A 6 5.636 18.974 1.403 1.00 0.00 H new ATOM 59 N GLY A 7 5.551 17.714 4.685 1.00 0.00 N ATOM 60 CA GLY A 7 5.344 16.302 4.944 1.00 0.00 C ATOM 61 C GLY A 7 5.645 15.440 3.734 1.00 0.00 C ATOM 62 O GLY A 7 5.336 15.816 2.604 1.00 0.00 O ATOM 0 H GLY A 7 6.277 18.152 5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.978 15.991 5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.312 16.140 5.254 1.00 0.00 H new ATOM 66 N MET A 8 6.252 14.282 3.970 1.00 0.00 N ATOM 67 CA MET A 8 6.595 13.365 2.890 1.00 0.00 C ATOM 68 C MET A 8 5.399 12.497 2.512 1.00 0.00 C ATOM 69 O MET A 8 4.775 11.874 3.372 1.00 0.00 O ATOM 70 CB MET A 8 7.774 12.479 3.299 1.00 0.00 C ATOM 71 CG MET A 8 8.336 11.650 2.155 1.00 0.00 C ATOM 72 SD MET A 8 9.688 10.577 2.676 1.00 0.00 S ATOM 73 CE MET A 8 10.918 11.788 3.154 1.00 0.00 C ATOM 0 H MET A 8 6.517 13.956 4.900 1.00 0.00 H new ATOM 0 HA MET A 8 6.880 13.958 2.021 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.567 13.107 3.705 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.456 11.811 4.099 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.539 11.042 1.726 1.00 0.00 H new ATOM 0 HG3 MET A 8 8.688 12.316 1.367 1.00 0.00 H new ATOM 0 HE1 MET A 8 11.902 11.319 3.175 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.922 12.607 2.434 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.680 12.177 4.144 1.00 0.00 H new ATOM 83 N VAL A 9 5.084 12.460 1.221 1.00 0.00 N ATOM 84 CA VAL A 9 3.963 11.668 0.730 1.00 0.00 C ATOM 85 C VAL A 9 4.170 10.185 1.017 1.00 0.00 C ATOM 86 O VAL A 9 4.900 9.500 0.300 1.00 0.00 O ATOM 87 CB VAL A 9 3.758 11.863 -0.784 1.00 0.00 C ATOM 88 CG1 VAL A 9 2.683 10.921 -1.304 1.00 0.00 C ATOM 89 CG2 VAL A 9 3.403 13.311 -1.091 1.00 0.00 C ATOM 0 H VAL A 9 5.590 12.970 0.496 1.00 0.00 H new ATOM 0 HA VAL A 9 3.075 12.016 1.257 1.00 0.00 H new ATOM 0 HB VAL A 9 4.692 11.625 -1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.553 11.074 -2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.982 9.889 -1.118 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.743 11.124 -0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.262 13.431 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.483 13.578 -0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.210 13.962 -0.756 1.00 0.00 H new ATOM 99 N PHE A 10 3.524 9.696 2.069 1.00 0.00 N ATOM 100 CA PHE A 10 3.637 8.293 2.452 1.00 0.00 C ATOM 101 C PHE A 10 2.507 7.469 1.841 1.00 0.00 C ATOM 102 O PHE A 10 1.513 8.017 1.365 1.00 0.00 O ATOM 103 CB PHE A 10 3.619 8.155 3.975 1.00 0.00 C ATOM 104 CG PHE A 10 4.762 8.854 4.655 1.00 0.00 C ATOM 105 CD1 PHE A 10 6.064 8.661 4.223 1.00 0.00 C ATOM 106 CD2 PHE A 10 4.534 9.705 5.724 1.00 0.00 C ATOM 107 CE1 PHE A 10 7.118 9.303 4.847 1.00 0.00 C ATOM 108 CE2 PHE A 10 5.583 10.350 6.351 1.00 0.00 C ATOM 109 CZ PHE A 10 6.876 10.149 5.911 1.00 0.00 C ATOM 0 H PHE A 10 2.916 10.250 2.672 1.00 0.00 H new ATOM 0 HA PHE A 10 4.585 7.914 2.071 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.680 8.556 4.357 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.644 7.097 4.236 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.258 8.002 3.390 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.524 9.866 6.072 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.129 9.143 4.503 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.392 11.010 7.184 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.697 10.653 6.399 1.00 0.00 H new ATOM 119 N PHE A 11 2.668 6.150 1.860 1.00 0.00 N ATOM 120 CA PHE A 11 1.662 5.250 1.307 1.00 0.00 C ATOM 121 C PHE A 11 1.492 4.018 2.190 1.00 0.00 C ATOM 122 O PHE A 11 2.448 3.540 2.802 1.00 0.00 O ATOM 123 CB PHE A 11 2.051 4.825 -0.111 1.00 0.00 C ATOM 124 CG PHE A 11 2.191 5.977 -1.064 1.00 0.00 C ATOM 125 CD1 PHE A 11 1.089 6.465 -1.749 1.00 0.00 C ATOM 126 CD2 PHE A 11 3.424 6.573 -1.275 1.00 0.00 C ATOM 127 CE1 PHE A 11 1.216 7.524 -2.628 1.00 0.00 C ATOM 128 CE2 PHE A 11 3.556 7.634 -2.152 1.00 0.00 C ATOM 129 CZ PHE A 11 2.450 8.110 -2.829 1.00 0.00 C ATOM 0 H PHE A 11 3.485 5.681 2.252 1.00 0.00 H new ATOM 0 HA PHE A 11 0.713 5.784 1.271 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.994 4.279 -0.072 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.299 4.136 -0.495 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.121 6.013 -1.594 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.292 6.205 -0.748 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.350 7.893 -3.158 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.523 8.090 -2.307 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.550 8.939 -3.514 1.00 0.00 H new ATOM 139 N THR A 12 0.266 3.507 2.253 1.00 0.00 N ATOM 140 CA THR A 12 -0.032 2.332 3.062 1.00 0.00 C ATOM 141 C THR A 12 -0.145 1.082 2.197 1.00 0.00 C ATOM 142 O THR A 12 -1.080 0.943 1.408 1.00 0.00 O ATOM 143 CB THR A 12 -1.341 2.513 3.855 1.00 0.00 C ATOM 144 OG1 THR A 12 -1.292 3.728 4.610 1.00 0.00 O ATOM 145 CG2 THR A 12 -1.573 1.337 4.792 1.00 0.00 C ATOM 0 H THR A 12 -0.537 3.889 1.753 1.00 0.00 H new ATOM 0 HA THR A 12 0.795 2.213 3.762 1.00 0.00 H new ATOM 0 HB THR A 12 -2.167 2.560 3.145 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.128 3.837 5.110 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.503 1.487 5.341 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.639 0.417 4.212 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.744 1.263 5.496 1.00 0.00 H new ATOM 153 N CYS A 13 0.814 0.175 2.349 1.00 0.00 N ATOM 154 CA CYS A 13 0.823 -1.065 1.581 1.00 0.00 C ATOM 155 C CYS A 13 -0.384 -1.931 1.932 1.00 0.00 C ATOM 156 O CYS A 13 -0.556 -2.338 3.080 1.00 0.00 O ATOM 157 CB CYS A 13 2.115 -1.841 1.842 1.00 0.00 C ATOM 158 SG CYS A 13 2.263 -3.382 0.882 1.00 0.00 S ATOM 0 H CYS A 13 1.595 0.275 2.997 1.00 0.00 H new ATOM 0 HA CYS A 13 0.768 -0.809 0.523 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.965 -1.199 1.611 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.175 -2.080 2.904 1.00 0.00 H new ATOM 163 N ASN A 14 -1.216 -2.208 0.933 1.00 0.00 N ATOM 164 CA ASN A 14 -2.407 -3.025 1.136 1.00 0.00 C ATOM 165 C ASN A 14 -2.089 -4.506 0.951 1.00 0.00 C ATOM 166 O ASN A 14 -2.986 -5.323 0.745 1.00 0.00 O ATOM 167 CB ASN A 14 -3.511 -2.604 0.164 1.00 0.00 C ATOM 168 CG ASN A 14 -4.897 -2.928 0.688 1.00 0.00 C ATOM 169 OD1 ASN A 14 -5.660 -3.655 0.051 1.00 0.00 O ATOM 170 ND2 ASN A 14 -5.230 -2.388 1.854 1.00 0.00 N ATOM 0 H ASN A 14 -1.088 -1.879 -0.024 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.753 -2.871 2.158 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.438 -1.533 -0.023 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.360 -3.106 -0.792 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.150 -2.570 2.256 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.566 -1.791 2.348 1.00 0.00 H new ATOM 177 N ALA A 15 -0.806 -4.843 1.026 1.00 0.00 N ATOM 178 CA ALA A 15 -0.369 -6.225 0.870 1.00 0.00 C ATOM 179 C ALA A 15 0.008 -6.837 2.214 1.00 0.00 C ATOM 180 O ALA A 15 -0.347 -7.978 2.510 1.00 0.00 O ATOM 181 CB ALA A 15 0.805 -6.301 -0.095 1.00 0.00 C ATOM 0 H ALA A 15 -0.051 -4.178 1.194 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.200 -6.799 0.460 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.121 -7.339 -0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.503 -5.911 -1.067 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.633 -5.707 0.292 1.00 0.00 H new ATOM 187 N CYS A 16 0.731 -6.072 3.026 1.00 0.00 N ATOM 188 CA CYS A 16 1.158 -6.539 4.339 1.00 0.00 C ATOM 189 C CYS A 16 0.665 -5.600 5.437 1.00 0.00 C ATOM 190 O CYS A 16 0.167 -6.044 6.470 1.00 0.00 O ATOM 191 CB CYS A 16 2.683 -6.648 4.394 1.00 0.00 C ATOM 192 SG CYS A 16 3.553 -5.085 4.051 1.00 0.00 S ATOM 0 H CYS A 16 1.033 -5.125 2.797 1.00 0.00 H new ATOM 0 HA CYS A 16 0.724 -7.525 4.505 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.976 -7.005 5.381 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.009 -7.399 3.674 1.00 0.00 H new ATOM 197 N GLY A 17 0.807 -4.299 5.203 1.00 0.00 N ATOM 198 CA GLY A 17 0.371 -3.318 6.180 1.00 0.00 C ATOM 199 C GLY A 17 1.533 -2.602 6.840 1.00 0.00 C ATOM 200 O GLY A 17 1.751 -2.739 8.043 1.00 0.00 O ATOM 0 H GLY A 17 1.216 -3.907 4.355 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.274 -2.586 5.693 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.229 -3.812 6.944 1.00 0.00 H new ATOM 204 N GLU A 18 2.280 -1.837 6.051 1.00 0.00 N ATOM 205 CA GLU A 18 3.427 -1.099 6.566 1.00 0.00 C ATOM 206 C GLU A 18 3.533 0.273 5.906 1.00 0.00 C ATOM 207 O GLU A 18 3.191 0.438 4.735 1.00 0.00 O ATOM 208 CB GLU A 18 4.716 -1.890 6.336 1.00 0.00 C ATOM 209 CG GLU A 18 4.899 -3.050 7.300 1.00 0.00 C ATOM 210 CD GLU A 18 5.424 -2.608 8.652 1.00 0.00 C ATOM 211 OE1 GLU A 18 4.953 -1.569 9.159 1.00 0.00 O ATOM 212 OE2 GLU A 18 6.305 -3.300 9.202 1.00 0.00 O ATOM 0 H GLU A 18 2.112 -1.712 5.053 1.00 0.00 H new ATOM 0 HA GLU A 18 3.284 -0.957 7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.720 -2.273 5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.567 -1.215 6.427 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.945 -3.560 7.434 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.589 -3.773 6.865 1.00 0.00 H new ATOM 219 N SER A 19 4.011 1.254 6.665 1.00 0.00 N ATOM 220 CA SER A 19 4.159 2.612 6.156 1.00 0.00 C ATOM 221 C SER A 19 5.397 2.729 5.272 1.00 0.00 C ATOM 222 O SER A 19 6.520 2.820 5.767 1.00 0.00 O ATOM 223 CB SER A 19 4.249 3.607 7.314 1.00 0.00 C ATOM 224 OG SER A 19 5.422 3.393 8.080 1.00 0.00 O ATOM 0 H SER A 19 4.302 1.133 7.635 1.00 0.00 H new ATOM 0 HA SER A 19 3.281 2.845 5.554 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.246 4.625 6.924 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.371 3.508 7.952 1.00 0.00 H new ATOM 0 HG SER A 19 6.133 3.049 7.500 1.00 0.00 H new ATOM 230 N VAL A 20 5.182 2.726 3.960 1.00 0.00 N ATOM 231 CA VAL A 20 6.280 2.833 3.006 1.00 0.00 C ATOM 232 C VAL A 20 6.492 4.279 2.573 1.00 0.00 C ATOM 233 O VAL A 20 5.536 5.037 2.410 1.00 0.00 O ATOM 234 CB VAL A 20 6.025 1.966 1.758 1.00 0.00 C ATOM 235 CG1 VAL A 20 7.244 1.968 0.849 1.00 0.00 C ATOM 236 CG2 VAL A 20 5.652 0.548 2.162 1.00 0.00 C ATOM 0 H VAL A 20 4.258 2.651 3.534 1.00 0.00 H new ATOM 0 HA VAL A 20 7.176 2.474 3.512 1.00 0.00 H new ATOM 0 HB VAL A 20 5.189 2.393 1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.046 1.351 -0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.460 2.988 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.101 1.566 1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.475 -0.050 1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.466 0.108 2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.747 0.569 2.769 1.00 0.00 H new ATOM 246 N LYS A 21 7.753 4.655 2.387 1.00 0.00 N ATOM 247 CA LYS A 21 8.093 6.010 1.970 1.00 0.00 C ATOM 248 C LYS A 21 8.162 6.111 0.449 1.00 0.00 C ATOM 249 O LYS A 21 8.535 5.155 -0.230 1.00 0.00 O ATOM 250 CB LYS A 21 9.432 6.433 2.581 1.00 0.00 C ATOM 251 CG LYS A 21 9.462 6.350 4.097 1.00 0.00 C ATOM 252 CD LYS A 21 10.620 7.144 4.676 1.00 0.00 C ATOM 253 CE LYS A 21 10.379 7.497 6.136 1.00 0.00 C ATOM 254 NZ LYS A 21 9.675 8.801 6.283 1.00 0.00 N ATOM 0 H LYS A 21 8.556 4.040 2.519 1.00 0.00 H new ATOM 0 HA LYS A 21 7.310 6.680 2.326 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.223 5.802 2.175 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.653 7.456 2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.523 6.727 4.502 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.545 5.307 4.404 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.540 6.565 4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.761 8.057 4.098 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.789 6.711 6.607 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.333 7.538 6.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.753 9.128 7.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.108 9.503 5.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.672 8.684 6.035 1.00 0.00 H new ATOM 268 N LYS A 22 7.801 7.276 -0.079 1.00 0.00 N ATOM 269 CA LYS A 22 7.824 7.503 -1.519 1.00 0.00 C ATOM 270 C LYS A 22 9.226 7.291 -2.081 1.00 0.00 C ATOM 271 O LYS A 22 9.390 6.942 -3.250 1.00 0.00 O ATOM 272 CB LYS A 22 7.344 8.920 -1.840 1.00 0.00 C ATOM 273 CG LYS A 22 7.290 9.222 -3.327 1.00 0.00 C ATOM 274 CD LYS A 22 6.979 10.686 -3.588 1.00 0.00 C ATOM 275 CE LYS A 22 7.051 11.015 -5.072 1.00 0.00 C ATOM 276 NZ LYS A 22 8.436 10.883 -5.603 1.00 0.00 N ATOM 0 H LYS A 22 7.489 8.078 0.469 1.00 0.00 H new ATOM 0 HA LYS A 22 7.152 6.783 -1.986 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.352 9.064 -1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.007 9.637 -1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.244 8.964 -3.786 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.531 8.598 -3.798 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.984 10.921 -3.210 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.684 11.312 -3.041 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.386 10.351 -5.624 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.694 12.032 -5.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.498 11.350 -6.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.105 11.331 -4.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.674 9.876 -5.706 1.00 0.00 H new ATOM 290 N ILE A 23 10.234 7.502 -1.241 1.00 0.00 N ATOM 291 CA ILE A 23 11.621 7.331 -1.654 1.00 0.00 C ATOM 292 C ILE A 23 12.106 5.912 -1.377 1.00 0.00 C ATOM 293 O ILE A 23 13.155 5.497 -1.868 1.00 0.00 O ATOM 294 CB ILE A 23 12.550 8.328 -0.936 1.00 0.00 C ATOM 295 CG1 ILE A 23 12.595 8.028 0.563 1.00 0.00 C ATOM 296 CG2 ILE A 23 12.085 9.756 -1.182 1.00 0.00 C ATOM 297 CD1 ILE A 23 13.894 8.435 1.222 1.00 0.00 C ATOM 0 H ILE A 23 10.116 7.792 -0.270 1.00 0.00 H new ATOM 0 HA ILE A 23 11.656 7.522 -2.727 1.00 0.00 H new ATOM 0 HB ILE A 23 13.557 8.219 -1.339 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.770 8.545 1.054 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.438 6.960 0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.751 10.449 -0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.100 9.964 -2.252 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.071 9.879 -0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 23 13.855 8.193 2.284 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.721 7.898 0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.043 9.508 1.100 1.00 0.00 H new ATOM 309 N GLN A 24 11.334 5.172 -0.587 1.00 0.00 N ATOM 310 CA GLN A 24 11.685 3.799 -0.246 1.00 0.00 C ATOM 311 C GLN A 24 10.604 2.829 -0.711 1.00 0.00 C ATOM 312 O GLN A 24 10.303 1.846 -0.033 1.00 0.00 O ATOM 313 CB GLN A 24 11.893 3.663 1.264 1.00 0.00 C ATOM 314 CG GLN A 24 13.034 4.513 1.800 1.00 0.00 C ATOM 315 CD GLN A 24 13.691 3.903 3.022 1.00 0.00 C ATOM 316 OE1 GLN A 24 13.026 3.605 4.015 1.00 0.00 O ATOM 317 NE2 GLN A 24 15.004 3.714 2.957 1.00 0.00 N ATOM 0 H GLN A 24 10.462 5.500 -0.172 1.00 0.00 H new ATOM 0 HA GLN A 24 12.615 3.551 -0.758 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.972 3.942 1.776 1.00 0.00 H new ATOM 0 HB3 GLN A 24 12.087 2.617 1.503 1.00 0.00 H new ATOM 0 HG2 GLN A 24 13.782 4.646 1.018 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.657 5.504 2.052 1.00 0.00 H new ATOM 0 HE21 GLN A 24 15.516 3.975 2.114 1.00 0.00 H new ATOM 0 HE22 GLN A 24 15.501 3.307 3.750 1.00 0.00 H new ATOM 326 N VAL A 25 10.023 3.111 -1.873 1.00 0.00 N ATOM 327 CA VAL A 25 8.976 2.263 -2.430 1.00 0.00 C ATOM 328 C VAL A 25 9.569 1.040 -3.122 1.00 0.00 C ATOM 329 O VAL A 25 9.244 -0.096 -2.779 1.00 0.00 O ATOM 330 CB VAL A 25 8.104 3.036 -3.437 1.00 0.00 C ATOM 331 CG1 VAL A 25 7.132 2.097 -4.134 1.00 0.00 C ATOM 332 CG2 VAL A 25 7.360 4.165 -2.740 1.00 0.00 C ATOM 0 H VAL A 25 10.260 3.920 -2.447 1.00 0.00 H new ATOM 0 HA VAL A 25 8.354 1.939 -1.596 1.00 0.00 H new ATOM 0 HB VAL A 25 8.755 3.473 -4.194 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.525 2.662 -4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.689 1.327 -4.668 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.484 1.628 -3.393 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.749 4.701 -3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.719 3.752 -1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.078 4.852 -2.293 1.00 0.00 H new ATOM 342 N GLU A 26 10.439 1.283 -4.096 1.00 0.00 N ATOM 343 CA GLU A 26 11.077 0.200 -4.836 1.00 0.00 C ATOM 344 C GLU A 26 11.592 -0.879 -3.887 1.00 0.00 C ATOM 345 O GLU A 26 11.360 -2.069 -4.098 1.00 0.00 O ATOM 346 CB GLU A 26 12.231 0.742 -5.683 1.00 0.00 C ATOM 347 CG GLU A 26 12.745 -0.248 -6.715 1.00 0.00 C ATOM 348 CD GLU A 26 13.344 -1.490 -6.085 1.00 0.00 C ATOM 349 OE1 GLU A 26 13.955 -1.371 -5.002 1.00 0.00 O ATOM 350 OE2 GLU A 26 13.201 -2.581 -6.674 1.00 0.00 O ATOM 0 H GLU A 26 10.718 2.218 -4.391 1.00 0.00 H new ATOM 0 HA GLU A 26 10.330 -0.245 -5.493 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.902 1.648 -6.193 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.052 1.027 -5.024 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.926 -0.538 -7.374 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.497 0.238 -7.336 1.00 0.00 H new ATOM 357 N LYS A 27 12.292 -0.453 -2.841 1.00 0.00 N ATOM 358 CA LYS A 27 12.840 -1.380 -1.858 1.00 0.00 C ATOM 359 C LYS A 27 11.741 -2.254 -1.263 1.00 0.00 C ATOM 360 O LYS A 27 11.725 -3.470 -1.461 1.00 0.00 O ATOM 361 CB LYS A 27 13.554 -0.611 -0.744 1.00 0.00 C ATOM 362 CG LYS A 27 14.704 -1.379 -0.116 1.00 0.00 C ATOM 363 CD LYS A 27 14.216 -2.326 0.968 1.00 0.00 C ATOM 364 CE LYS A 27 13.944 -1.589 2.271 1.00 0.00 C ATOM 365 NZ LYS A 27 13.395 -2.495 3.316 1.00 0.00 N ATOM 0 H LYS A 27 12.493 0.529 -2.652 1.00 0.00 H new ATOM 0 HA LYS A 27 13.559 -2.025 -2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.933 0.328 -1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.831 -0.357 0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.228 -1.945 -0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.422 -0.678 0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.306 -2.825 0.634 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.962 -3.103 1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.868 -1.136 2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.241 -0.777 2.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.223 -1.955 4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.501 -2.908 2.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.077 -3.256 3.509 1.00 0.00 H new ATOM 379 N HIS A 28 10.821 -1.628 -0.536 1.00 0.00 N ATOM 380 CA HIS A 28 9.717 -2.349 0.086 1.00 0.00 C ATOM 381 C HIS A 28 9.105 -3.351 -0.888 1.00 0.00 C ATOM 382 O HIS A 28 9.012 -4.543 -0.593 1.00 0.00 O ATOM 383 CB HIS A 28 8.646 -1.369 0.567 1.00 0.00 C ATOM 384 CG HIS A 28 7.472 -2.036 1.215 1.00 0.00 C ATOM 385 ND1 HIS A 28 7.432 -2.354 2.556 1.00 0.00 N ATOM 386 CD2 HIS A 28 6.288 -2.442 0.698 1.00 0.00 C ATOM 387 CE1 HIS A 28 6.276 -2.929 2.836 1.00 0.00 C ATOM 388 NE2 HIS A 28 5.564 -2.994 1.726 1.00 0.00 N ATOM 0 H HIS A 28 10.818 -0.623 -0.363 1.00 0.00 H new ATOM 0 HA HIS A 28 10.110 -2.896 0.943 1.00 0.00 H new ATOM 0 HB2 HIS A 28 9.094 -0.672 1.275 1.00 0.00 H new ATOM 0 HB3 HIS A 28 8.297 -0.780 -0.281 1.00 0.00 H new ATOM 0 HD1 HIS A 28 8.179 -2.173 3.227 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.972 -2.349 -0.331 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.966 -3.285 3.807 1.00 0.00 H new ATOM 396 N VAL A 29 8.688 -2.860 -2.051 1.00 0.00 N ATOM 397 CA VAL A 29 8.085 -3.712 -3.069 1.00 0.00 C ATOM 398 C VAL A 29 8.973 -4.913 -3.376 1.00 0.00 C ATOM 399 O VAL A 29 8.488 -6.035 -3.520 1.00 0.00 O ATOM 400 CB VAL A 29 7.827 -2.932 -4.372 1.00 0.00 C ATOM 401 CG1 VAL A 29 7.231 -3.846 -5.432 1.00 0.00 C ATOM 402 CG2 VAL A 29 6.915 -1.743 -4.109 1.00 0.00 C ATOM 0 H VAL A 29 8.757 -1.876 -2.311 1.00 0.00 H new ATOM 0 HA VAL A 29 7.133 -4.060 -2.668 1.00 0.00 H new ATOM 0 HB VAL A 29 8.780 -2.555 -4.744 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.055 -3.278 -6.345 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.923 -4.662 -5.640 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.287 -4.254 -5.071 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.743 -1.203 -5.040 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.963 -2.096 -3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.385 -1.077 -3.385 1.00 0.00 H new ATOM 412 N SER A 30 10.276 -4.669 -3.475 1.00 0.00 N ATOM 413 CA SER A 30 11.232 -5.731 -3.768 1.00 0.00 C ATOM 414 C SER A 30 11.004 -6.934 -2.858 1.00 0.00 C ATOM 415 O SER A 30 10.915 -8.069 -3.323 1.00 0.00 O ATOM 416 CB SER A 30 12.663 -5.216 -3.604 1.00 0.00 C ATOM 417 OG SER A 30 13.604 -6.172 -4.060 1.00 0.00 O ATOM 0 H SER A 30 10.694 -3.746 -3.357 1.00 0.00 H new ATOM 0 HA SER A 30 11.083 -6.046 -4.801 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.785 -4.287 -4.161 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.852 -4.986 -2.555 1.00 0.00 H new ATOM 0 HG SER A 30 14.511 -5.819 -3.946 1.00 0.00 H new ATOM 423 N ASN A 31 10.910 -6.675 -1.558 1.00 0.00 N ATOM 424 CA ASN A 31 10.693 -7.736 -0.581 1.00 0.00 C ATOM 425 C ASN A 31 9.224 -8.145 -0.539 1.00 0.00 C ATOM 426 O ASN A 31 8.897 -9.306 -0.294 1.00 0.00 O ATOM 427 CB ASN A 31 11.147 -7.281 0.807 1.00 0.00 C ATOM 428 CG ASN A 31 11.337 -8.442 1.763 1.00 0.00 C ATOM 429 OD1 ASN A 31 10.616 -9.438 1.698 1.00 0.00 O ATOM 430 ND2 ASN A 31 12.311 -8.319 2.657 1.00 0.00 N ATOM 0 H ASN A 31 10.981 -5.740 -1.157 1.00 0.00 H new ATOM 0 HA ASN A 31 11.284 -8.600 -0.884 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.084 -6.731 0.718 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.410 -6.591 1.219 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.486 -9.068 3.327 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.884 -7.475 2.674 1.00 0.00 H new ATOM 437 N CYS A 32 8.341 -7.182 -0.781 1.00 0.00 N ATOM 438 CA CYS A 32 6.906 -7.439 -0.772 1.00 0.00 C ATOM 439 C CYS A 32 6.400 -7.756 -2.176 1.00 0.00 C ATOM 440 O CYS A 32 6.169 -6.854 -2.982 1.00 0.00 O ATOM 441 CB CYS A 32 6.153 -6.233 -0.207 1.00 0.00 C ATOM 442 SG CYS A 32 4.552 -6.646 0.556 1.00 0.00 S ATOM 0 H CYS A 32 8.595 -6.216 -0.986 1.00 0.00 H new ATOM 0 HA CYS A 32 6.723 -8.304 -0.135 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.781 -5.742 0.536 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.986 -5.514 -1.009 1.00 0.00 H new ATOM 447 N ARG A 33 6.231 -9.043 -2.462 1.00 0.00 N ATOM 448 CA ARG A 33 5.754 -9.479 -3.769 1.00 0.00 C ATOM 449 C ARG A 33 4.256 -9.229 -3.912 1.00 0.00 C ATOM 450 O ARG A 33 3.753 -9.026 -5.016 1.00 0.00 O ATOM 451 CB ARG A 33 6.057 -10.964 -3.976 1.00 0.00 C ATOM 452 CG ARG A 33 7.456 -11.233 -4.507 1.00 0.00 C ATOM 453 CD ARG A 33 8.456 -11.409 -3.375 1.00 0.00 C ATOM 454 NE ARG A 33 9.834 -11.253 -3.834 1.00 0.00 N ATOM 455 CZ ARG A 33 10.894 -11.563 -3.095 1.00 0.00 C ATOM 456 NH1 ARG A 33 10.734 -12.042 -1.869 1.00 0.00 N ATOM 457 NH2 ARG A 33 12.116 -11.393 -3.582 1.00 0.00 N ATOM 0 H ARG A 33 6.417 -9.802 -1.806 1.00 0.00 H new ATOM 0 HA ARG A 33 6.275 -8.899 -4.531 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.931 -11.487 -3.028 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.328 -11.381 -4.670 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.445 -12.129 -5.127 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.769 -10.407 -5.146 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.250 -10.679 -2.592 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.331 -12.397 -2.931 1.00 0.00 H new ATOM 0 HE ARG A 33 9.991 -10.886 -4.773 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.796 -12.173 -1.491 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.549 -12.279 -1.304 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.243 -11.024 -4.524 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.929 -11.631 -3.014 1.00 0.00 H new ATOM 471 N ASN A 34 3.548 -9.247 -2.787 1.00 0.00 N ATOM 472 CA ASN A 34 2.107 -9.024 -2.787 1.00 0.00 C ATOM 473 C ASN A 34 1.785 -7.550 -3.014 1.00 0.00 C ATOM 474 O ASN A 34 0.645 -7.192 -3.314 1.00 0.00 O ATOM 475 CB ASN A 34 1.497 -9.493 -1.465 1.00 0.00 C ATOM 476 CG ASN A 34 1.439 -11.005 -1.360 1.00 0.00 C ATOM 477 OD1 ASN A 34 1.756 -11.717 -2.313 1.00 0.00 O ATOM 478 ND2 ASN A 34 1.031 -11.502 -0.198 1.00 0.00 N ATOM 0 H ASN A 34 3.949 -9.414 -1.864 1.00 0.00 H new ATOM 0 HA ASN A 34 1.675 -9.602 -3.604 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.083 -9.096 -0.636 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.491 -9.086 -1.367 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.970 -12.512 -0.068 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.778 -10.874 0.565 1.00 0.00 H new ATOM 485 N CYS A 35 2.796 -6.700 -2.869 1.00 0.00 N ATOM 486 CA CYS A 35 2.621 -5.264 -3.057 1.00 0.00 C ATOM 487 C CYS A 35 2.328 -4.939 -4.518 1.00 0.00 C ATOM 488 O CYS A 35 3.201 -5.061 -5.377 1.00 0.00 O ATOM 489 CB CYS A 35 3.870 -4.512 -2.595 1.00 0.00 C ATOM 490 SG CYS A 35 3.893 -2.765 -3.058 1.00 0.00 S ATOM 0 H CYS A 35 3.745 -6.980 -2.622 1.00 0.00 H new ATOM 0 HA CYS A 35 1.770 -4.945 -2.455 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.948 -4.590 -1.511 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.750 -4.999 -3.014 1.00 0.00 H new ATOM 0 HG CYS A 35 4.442 -2.634 -4.229 1.00 0.00 H new ATOM 496 N GLU A 36 1.095 -4.526 -4.792 1.00 0.00 N ATOM 497 CA GLU A 36 0.688 -4.186 -6.150 1.00 0.00 C ATOM 498 C GLU A 36 0.057 -2.798 -6.198 1.00 0.00 C ATOM 499 O GLU A 36 0.205 -2.070 -7.181 1.00 0.00 O ATOM 500 CB GLU A 36 -0.300 -5.225 -6.686 1.00 0.00 C ATOM 501 CG GLU A 36 0.285 -6.624 -6.788 1.00 0.00 C ATOM 502 CD GLU A 36 0.932 -6.889 -8.134 1.00 0.00 C ATOM 503 OE1 GLU A 36 0.193 -7.135 -9.110 1.00 0.00 O ATOM 504 OE2 GLU A 36 2.178 -6.849 -8.211 1.00 0.00 O ATOM 0 H GLU A 36 0.361 -4.419 -4.092 1.00 0.00 H new ATOM 0 HA GLU A 36 1.579 -4.184 -6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.174 -5.252 -6.036 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.645 -4.912 -7.671 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.025 -6.763 -6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.504 -7.357 -6.617 1.00 0.00 H new ATOM 511 N CYS A 37 -0.647 -2.437 -5.130 1.00 0.00 N ATOM 512 CA CYS A 37 -1.302 -1.137 -5.050 1.00 0.00 C ATOM 513 C CYS A 37 -0.833 -0.367 -3.819 1.00 0.00 C ATOM 514 O CYS A 37 -0.577 -0.954 -2.767 1.00 0.00 O ATOM 515 CB CYS A 37 -2.821 -1.309 -5.011 1.00 0.00 C ATOM 516 SG CYS A 37 -3.417 -2.286 -3.611 1.00 0.00 S ATOM 0 H CYS A 37 -0.778 -3.027 -4.308 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.032 -0.566 -5.938 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.287 -0.324 -4.978 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.146 -1.784 -5.937 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.554 -2.226 -2.641 1.00 0.00 H new ATOM 522 N LEU A 38 -0.722 0.949 -3.958 1.00 0.00 N ATOM 523 CA LEU A 38 -0.283 1.800 -2.858 1.00 0.00 C ATOM 524 C LEU A 38 -1.217 2.994 -2.685 1.00 0.00 C ATOM 525 O LEU A 38 -1.333 3.837 -3.575 1.00 0.00 O ATOM 526 CB LEU A 38 1.146 2.288 -3.103 1.00 0.00 C ATOM 527 CG LEU A 38 2.241 1.223 -3.027 1.00 0.00 C ATOM 528 CD1 LEU A 38 3.511 1.713 -3.704 1.00 0.00 C ATOM 529 CD2 LEU A 38 2.518 0.846 -1.578 1.00 0.00 C ATOM 0 H LEU A 38 -0.930 1.450 -4.822 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.307 1.208 -1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.186 2.752 -4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.373 3.066 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 38 1.894 0.334 -3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.278 0.942 -3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.304 1.932 -4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.863 2.617 -3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.300 0.087 -1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.844 1.729 -1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.609 0.452 -1.124 1.00 0.00 H new ATOM 541 N SER A 39 -1.879 3.059 -1.535 1.00 0.00 N ATOM 542 CA SER A 39 -2.804 4.149 -1.247 1.00 0.00 C ATOM 543 C SER A 39 -2.123 5.235 -0.420 1.00 0.00 C ATOM 544 O SER A 39 -1.332 4.945 0.477 1.00 0.00 O ATOM 545 CB SER A 39 -4.032 3.620 -0.502 1.00 0.00 C ATOM 546 OG SER A 39 -4.609 2.521 -1.186 1.00 0.00 O ATOM 0 H SER A 39 -1.792 2.370 -0.788 1.00 0.00 H new ATOM 0 HA SER A 39 -3.121 4.584 -2.195 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.747 3.317 0.505 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.769 4.416 -0.399 1.00 0.00 H new ATOM 0 HG SER A 39 -5.390 2.200 -0.689 1.00 0.00 H new ATOM 552 N CYS A 40 -2.437 6.489 -0.729 1.00 0.00 N ATOM 553 CA CYS A 40 -1.856 7.621 -0.017 1.00 0.00 C ATOM 554 C CYS A 40 -2.602 7.882 1.289 1.00 0.00 C ATOM 555 O CYS A 40 -3.787 7.570 1.412 1.00 0.00 O ATOM 556 CB CYS A 40 -1.888 8.873 -0.895 1.00 0.00 C ATOM 557 SG CYS A 40 -1.228 10.366 -0.085 1.00 0.00 S ATOM 0 H CYS A 40 -3.091 6.747 -1.468 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.820 7.378 0.219 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -1.316 8.682 -1.803 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.917 9.063 -1.201 1.00 0.00 H new ATOM 562 N ILE A 41 -1.899 8.456 2.260 1.00 0.00 N ATOM 563 CA ILE A 41 -2.495 8.760 3.555 1.00 0.00 C ATOM 564 C ILE A 41 -2.752 10.256 3.704 1.00 0.00 C ATOM 565 O ILE A 41 -3.674 10.671 4.406 1.00 0.00 O ATOM 566 CB ILE A 41 -1.596 8.288 4.713 1.00 0.00 C ATOM 567 CG1 ILE A 41 -0.196 8.892 4.581 1.00 0.00 C ATOM 568 CG2 ILE A 41 -1.522 6.768 4.740 1.00 0.00 C ATOM 569 CD1 ILE A 41 0.709 8.583 5.752 1.00 0.00 C ATOM 0 H ILE A 41 -0.917 8.719 2.174 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.443 8.224 3.600 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.031 8.629 5.653 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.267 8.520 3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.284 9.973 4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.883 6.449 5.564 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.522 6.357 4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.107 6.407 3.799 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.684 9.043 5.590 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.269 8.980 6.667 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.828 7.504 5.845 1.00 0.00 H new ATOM 581 N ASP A 42 -1.931 11.061 3.038 1.00 0.00 N ATOM 582 CA ASP A 42 -2.071 12.512 3.094 1.00 0.00 C ATOM 583 C ASP A 42 -3.431 12.947 2.558 1.00 0.00 C ATOM 584 O ASP A 42 -4.071 13.842 3.112 1.00 0.00 O ATOM 585 CB ASP A 42 -0.955 13.184 2.293 1.00 0.00 C ATOM 586 CG ASP A 42 0.374 13.167 3.024 1.00 0.00 C ATOM 587 OD1 ASP A 42 0.553 13.989 3.947 1.00 0.00 O ATOM 588 OD2 ASP A 42 1.234 12.332 2.673 1.00 0.00 O ATOM 0 H ASP A 42 -1.162 10.734 2.453 1.00 0.00 H new ATOM 0 HA ASP A 42 -1.996 12.820 4.137 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.845 12.678 1.334 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.236 14.215 2.079 1.00 0.00 H new ATOM 593 N CYS A 43 -3.868 12.310 1.477 1.00 0.00 N ATOM 594 CA CYS A 43 -5.151 12.631 0.865 1.00 0.00 C ATOM 595 C CYS A 43 -5.944 11.363 0.564 1.00 0.00 C ATOM 596 O CYS A 43 -7.138 11.282 0.847 1.00 0.00 O ATOM 597 CB CYS A 43 -4.940 13.431 -0.422 1.00 0.00 C ATOM 598 SG CYS A 43 -4.104 12.501 -1.746 1.00 0.00 S ATOM 0 H CYS A 43 -3.351 11.567 1.006 1.00 0.00 H new ATOM 0 HA CYS A 43 -5.720 13.235 1.572 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -5.908 13.772 -0.788 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.354 14.321 -0.192 1.00 0.00 H new ATOM 603 N GLY A 44 -5.268 10.372 -0.012 1.00 0.00 N ATOM 604 CA GLY A 44 -5.925 9.121 -0.342 1.00 0.00 C ATOM 605 C GLY A 44 -6.270 9.018 -1.814 1.00 0.00 C ATOM 606 O GLY A 44 -7.209 9.660 -2.286 1.00 0.00 O ATOM 0 H GLY A 44 -4.278 10.414 -0.255 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.277 8.290 -0.065 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.836 9.026 0.249 1.00 0.00 H new ATOM 610 N LYS A 45 -5.510 8.208 -2.544 1.00 0.00 N ATOM 611 CA LYS A 45 -5.740 8.023 -3.972 1.00 0.00 C ATOM 612 C LYS A 45 -5.080 6.740 -4.466 1.00 0.00 C ATOM 613 O LYS A 45 -3.854 6.639 -4.512 1.00 0.00 O ATOM 614 CB LYS A 45 -5.200 9.221 -4.756 1.00 0.00 C ATOM 615 CG LYS A 45 -6.184 10.374 -4.857 1.00 0.00 C ATOM 616 CD LYS A 45 -5.987 11.164 -6.140 1.00 0.00 C ATOM 617 CE LYS A 45 -7.291 11.780 -6.621 1.00 0.00 C ATOM 618 NZ LYS A 45 -8.191 10.765 -7.236 1.00 0.00 N ATOM 0 H LYS A 45 -4.729 7.669 -2.170 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.815 7.945 -4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.286 9.575 -4.279 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.930 8.896 -5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.203 9.988 -4.819 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.061 11.035 -3.999 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.251 11.951 -5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.586 10.509 -6.914 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.799 12.255 -5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.076 12.563 -7.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.989 11.244 -7.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.661 10.213 -7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.552 10.128 -6.497 1.00 0.00 H new ATOM 632 N ASP A 46 -5.901 5.763 -4.837 1.00 0.00 N ATOM 633 CA ASP A 46 -5.397 4.487 -5.331 1.00 0.00 C ATOM 634 C ASP A 46 -4.407 4.699 -6.472 1.00 0.00 C ATOM 635 O ASP A 46 -4.727 5.337 -7.475 1.00 0.00 O ATOM 636 CB ASP A 46 -6.554 3.605 -5.801 1.00 0.00 C ATOM 637 CG ASP A 46 -7.385 4.267 -6.883 1.00 0.00 C ATOM 638 OD1 ASP A 46 -7.840 5.409 -6.666 1.00 0.00 O ATOM 639 OD2 ASP A 46 -7.578 3.643 -7.947 1.00 0.00 O ATOM 0 H ASP A 46 -6.918 5.831 -4.805 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.879 3.988 -4.512 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.158 2.662 -6.177 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.193 3.366 -4.951 1.00 0.00 H new ATOM 644 N PHE A 47 -3.202 4.161 -6.311 1.00 0.00 N ATOM 645 CA PHE A 47 -2.164 4.293 -7.327 1.00 0.00 C ATOM 646 C PHE A 47 -1.592 2.929 -7.700 1.00 0.00 C ATOM 647 O PHE A 47 -0.660 2.439 -7.061 1.00 0.00 O ATOM 648 CB PHE A 47 -1.045 5.209 -6.827 1.00 0.00 C ATOM 649 CG PHE A 47 -1.500 6.613 -6.546 1.00 0.00 C ATOM 650 CD1 PHE A 47 -2.190 7.336 -7.506 1.00 0.00 C ATOM 651 CD2 PHE A 47 -1.237 7.209 -5.324 1.00 0.00 C ATOM 652 CE1 PHE A 47 -2.610 8.628 -7.251 1.00 0.00 C ATOM 653 CE2 PHE A 47 -1.655 8.500 -5.063 1.00 0.00 C ATOM 654 CZ PHE A 47 -2.341 9.211 -6.028 1.00 0.00 C ATOM 0 H PHE A 47 -2.921 3.630 -5.487 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.615 4.734 -8.216 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -0.618 4.785 -5.918 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.249 5.236 -7.571 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.402 6.885 -8.464 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.699 6.659 -4.566 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.148 9.181 -8.007 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.445 8.953 -4.105 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.667 10.221 -5.827 1.00 0.00 H new ATOM 664 N TRP A 48 -2.156 2.320 -8.736 1.00 0.00 N ATOM 665 CA TRP A 48 -1.703 1.012 -9.194 1.00 0.00 C ATOM 666 C TRP A 48 -0.365 1.122 -9.917 1.00 0.00 C ATOM 667 O TRP A 48 0.088 2.219 -10.241 1.00 0.00 O ATOM 668 CB TRP A 48 -2.746 0.383 -10.119 1.00 0.00 C ATOM 669 CG TRP A 48 -4.022 0.025 -9.419 1.00 0.00 C ATOM 670 CD1 TRP A 48 -5.018 0.880 -9.041 1.00 0.00 C ATOM 671 CD2 TRP A 48 -4.438 -1.283 -9.011 1.00 0.00 C ATOM 672 NE1 TRP A 48 -6.027 0.183 -8.423 1.00 0.00 N ATOM 673 CE2 TRP A 48 -5.696 -1.146 -8.392 1.00 0.00 C ATOM 674 CE3 TRP A 48 -3.871 -2.556 -9.109 1.00 0.00 C ATOM 675 CZ2 TRP A 48 -6.394 -2.234 -7.875 1.00 0.00 C ATOM 676 CZ3 TRP A 48 -4.564 -3.636 -8.595 1.00 0.00 C ATOM 677 CH2 TRP A 48 -5.815 -3.470 -7.985 1.00 0.00 C ATOM 0 H TRP A 48 -2.928 2.711 -9.275 1.00 0.00 H new ATOM 0 HA TRP A 48 -1.571 0.374 -8.320 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.967 1.077 -10.930 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.325 -0.514 -10.573 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.013 1.948 -9.204 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.884 0.589 -8.048 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.908 -2.694 -9.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.358 -2.108 -7.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.134 -4.624 -8.665 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -6.332 -4.334 -7.594 1.00 0.00 H new ATOM 688 N GLY A 49 0.264 -0.023 -10.167 1.00 0.00 N ATOM 689 CA GLY A 49 1.544 -0.032 -10.851 1.00 0.00 C ATOM 690 C GLY A 49 2.500 1.010 -10.305 1.00 0.00 C ATOM 691 O GLY A 49 2.835 0.995 -9.121 1.00 0.00 O ATOM 0 H GLY A 49 -0.090 -0.944 -9.908 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.996 -1.020 -10.757 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.385 0.146 -11.915 1.00 0.00 H new ATOM 695 N ASP A 50 2.941 1.917 -11.170 1.00 0.00 N ATOM 696 CA ASP A 50 3.865 2.971 -10.769 1.00 0.00 C ATOM 697 C ASP A 50 3.251 4.349 -11.002 1.00 0.00 C ATOM 698 O ASP A 50 3.909 5.253 -11.517 1.00 0.00 O ATOM 699 CB ASP A 50 5.179 2.847 -11.540 1.00 0.00 C ATOM 700 CG ASP A 50 5.510 1.411 -11.895 1.00 0.00 C ATOM 701 OD1 ASP A 50 5.872 0.643 -10.980 1.00 0.00 O ATOM 702 OD2 ASP A 50 5.406 1.055 -13.088 1.00 0.00 O ATOM 0 H ASP A 50 2.673 1.943 -12.154 1.00 0.00 H new ATOM 0 HA ASP A 50 4.067 2.858 -9.704 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.118 3.439 -12.453 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.988 3.266 -10.942 1.00 0.00 H new ATOM 707 N ASP A 51 1.988 4.500 -10.620 1.00 0.00 N ATOM 708 CA ASP A 51 1.286 5.768 -10.787 1.00 0.00 C ATOM 709 C ASP A 51 1.735 6.780 -9.738 1.00 0.00 C ATOM 710 O ASP A 51 1.865 7.971 -10.026 1.00 0.00 O ATOM 711 CB ASP A 51 -0.225 5.554 -10.692 1.00 0.00 C ATOM 712 CG ASP A 51 -1.008 6.822 -10.971 1.00 0.00 C ATOM 713 OD1 ASP A 51 -0.732 7.847 -10.313 1.00 0.00 O ATOM 714 OD2 ASP A 51 -1.896 6.790 -11.848 1.00 0.00 O ATOM 0 H ASP A 51 1.429 3.761 -10.193 1.00 0.00 H new ATOM 0 HA ASP A 51 1.529 6.162 -11.774 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.525 4.782 -11.401 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.475 5.188 -9.696 1.00 0.00 H new ATOM 719 N TYR A 52 1.970 6.300 -8.522 1.00 0.00 N ATOM 720 CA TYR A 52 2.402 7.164 -7.430 1.00 0.00 C ATOM 721 C TYR A 52 3.529 8.089 -7.879 1.00 0.00 C ATOM 722 O TYR A 52 3.710 9.178 -7.334 1.00 0.00 O ATOM 723 CB TYR A 52 2.861 6.323 -6.237 1.00 0.00 C ATOM 724 CG TYR A 52 3.945 5.327 -6.581 1.00 0.00 C ATOM 725 CD1 TYR A 52 3.627 4.041 -6.999 1.00 0.00 C ATOM 726 CD2 TYR A 52 5.288 5.672 -6.486 1.00 0.00 C ATOM 727 CE1 TYR A 52 4.615 3.127 -7.313 1.00 0.00 C ATOM 728 CE2 TYR A 52 6.282 4.765 -6.800 1.00 0.00 C ATOM 729 CZ TYR A 52 5.940 3.494 -7.213 1.00 0.00 C ATOM 730 OH TYR A 52 6.928 2.588 -7.524 1.00 0.00 O ATOM 0 H TYR A 52 1.869 5.317 -8.268 1.00 0.00 H new ATOM 0 HA TYR A 52 1.553 7.777 -7.128 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.225 6.987 -5.453 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.004 5.788 -5.829 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.590 3.750 -7.080 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.559 6.666 -6.161 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.350 2.131 -7.635 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.321 5.050 -6.723 1.00 0.00 H new ATOM 0 HH TYR A 52 7.806 3.006 -7.402 1.00 0.00 H new ATOM 740 N LYS A 53 4.286 7.646 -8.877 1.00 0.00 N ATOM 741 CA LYS A 53 5.396 8.432 -9.403 1.00 0.00 C ATOM 742 C LYS A 53 4.967 9.872 -9.664 1.00 0.00 C ATOM 743 O LYS A 53 5.605 10.814 -9.195 1.00 0.00 O ATOM 744 CB LYS A 53 5.925 7.804 -10.694 1.00 0.00 C ATOM 745 CG LYS A 53 6.434 6.384 -10.516 1.00 0.00 C ATOM 746 CD LYS A 53 7.912 6.361 -10.162 1.00 0.00 C ATOM 747 CE LYS A 53 8.423 4.939 -9.992 1.00 0.00 C ATOM 748 NZ LYS A 53 9.861 4.908 -9.608 1.00 0.00 N ATOM 0 H LYS A 53 4.151 6.746 -9.338 1.00 0.00 H new ATOM 0 HA LYS A 53 6.191 8.438 -8.657 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.131 7.805 -11.441 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.732 8.424 -11.086 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.863 5.888 -9.731 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.270 5.820 -11.434 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.482 6.862 -10.944 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.075 6.920 -9.240 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.833 4.430 -9.230 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.284 4.390 -10.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.171 3.921 -9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.428 5.371 -10.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.990 5.410 -8.707 1.00 0.00 H new ATOM 762 N SER A 54 3.882 10.035 -10.415 1.00 0.00 N ATOM 763 CA SER A 54 3.369 11.360 -10.740 1.00 0.00 C ATOM 764 C SER A 54 2.881 12.077 -9.485 1.00 0.00 C ATOM 765 O SER A 54 2.984 13.299 -9.374 1.00 0.00 O ATOM 766 CB SER A 54 2.231 11.255 -11.757 1.00 0.00 C ATOM 767 OG SER A 54 2.087 12.460 -12.488 1.00 0.00 O ATOM 0 H SER A 54 3.341 9.265 -10.810 1.00 0.00 H new ATOM 0 HA SER A 54 4.183 11.940 -11.175 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.427 10.431 -12.443 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.299 11.025 -11.241 1.00 0.00 H new ATOM 0 HG SER A 54 1.354 12.366 -13.132 1.00 0.00 H new ATOM 773 N HIS A 55 2.348 11.307 -8.541 1.00 0.00 N ATOM 774 CA HIS A 55 1.843 11.867 -7.293 1.00 0.00 C ATOM 775 C HIS A 55 2.961 12.555 -6.514 1.00 0.00 C ATOM 776 O HIS A 55 3.759 11.899 -5.844 1.00 0.00 O ATOM 777 CB HIS A 55 1.210 10.771 -6.436 1.00 0.00 C ATOM 778 CG HIS A 55 0.299 11.295 -5.369 1.00 0.00 C ATOM 779 ND1 HIS A 55 -0.747 12.155 -5.628 1.00 0.00 N ATOM 780 CD2 HIS A 55 0.280 11.074 -4.034 1.00 0.00 C ATOM 781 CE1 HIS A 55 -1.368 12.443 -4.499 1.00 0.00 C ATOM 782 NE2 HIS A 55 -0.765 11.799 -3.516 1.00 0.00 N ATOM 0 H HIS A 55 2.255 10.294 -8.617 1.00 0.00 H new ATOM 0 HA HIS A 55 1.084 12.610 -7.539 1.00 0.00 H new ATOM 0 HB2 HIS A 55 0.649 10.095 -7.082 1.00 0.00 H new ATOM 0 HB3 HIS A 55 2.001 10.183 -5.970 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -1.002 12.513 -6.549 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.960 10.445 -3.479 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.223 13.094 -4.397 1.00 0.00 H new ATOM 790 N VAL A 56 3.014 13.880 -6.610 1.00 0.00 N ATOM 791 CA VAL A 56 4.034 14.656 -5.915 1.00 0.00 C ATOM 792 C VAL A 56 3.424 15.477 -4.784 1.00 0.00 C ATOM 793 O VAL A 56 3.859 15.391 -3.635 1.00 0.00 O ATOM 794 CB VAL A 56 4.774 15.602 -6.880 1.00 0.00 C ATOM 795 CG1 VAL A 56 5.795 16.441 -6.127 1.00 0.00 C ATOM 796 CG2 VAL A 56 5.440 14.810 -7.995 1.00 0.00 C ATOM 0 H VAL A 56 2.363 14.438 -7.162 1.00 0.00 H new ATOM 0 HA VAL A 56 4.746 13.943 -5.500 1.00 0.00 H new ATOM 0 HB VAL A 56 4.046 16.277 -7.330 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.308 17.103 -6.825 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.288 17.037 -5.368 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.522 15.786 -5.648 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.958 15.494 -8.668 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.157 14.110 -7.566 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.683 14.258 -8.552 1.00 0.00 H new ATOM 806 N LYS A 57 2.413 16.273 -5.116 1.00 0.00 N ATOM 807 CA LYS A 57 1.741 17.109 -4.129 1.00 0.00 C ATOM 808 C LYS A 57 0.271 16.723 -4.000 1.00 0.00 C ATOM 809 O LYS A 57 -0.453 16.652 -4.994 1.00 0.00 O ATOM 810 CB LYS A 57 1.859 18.585 -4.516 1.00 0.00 C ATOM 811 CG LYS A 57 1.661 19.537 -3.349 1.00 0.00 C ATOM 812 CD LYS A 57 2.957 19.766 -2.590 1.00 0.00 C ATOM 813 CE LYS A 57 3.848 20.774 -3.300 1.00 0.00 C ATOM 814 NZ LYS A 57 5.171 20.913 -2.631 1.00 0.00 N ATOM 0 H LYS A 57 2.041 16.356 -6.062 1.00 0.00 H new ATOM 0 HA LYS A 57 2.226 16.952 -3.166 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.842 18.760 -4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.122 18.810 -5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.280 20.490 -3.716 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.908 19.133 -2.672 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.733 20.122 -1.584 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.489 18.821 -2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.995 20.463 -4.334 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.351 21.744 -3.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.749 21.609 -3.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.033 21.234 -1.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.657 19.994 -2.629 1.00 0.00 H new ATOM 828 N CYS A 58 -0.165 16.474 -2.770 1.00 0.00 N ATOM 829 CA CYS A 58 -1.549 16.096 -2.510 1.00 0.00 C ATOM 830 C CYS A 58 -2.474 17.305 -2.626 1.00 0.00 C ATOM 831 O CYS A 58 -2.509 18.159 -1.740 1.00 0.00 O ATOM 832 CB CYS A 58 -1.677 15.474 -1.118 1.00 0.00 C ATOM 833 SG CYS A 58 -0.546 14.077 -0.821 1.00 0.00 S ATOM 0 H CYS A 58 0.421 16.527 -1.937 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.845 15.360 -3.258 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.491 16.244 -0.369 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.703 15.134 -0.977 1.00 0.00 H new ATOM 838 N ILE A 59 -3.220 17.368 -3.723 1.00 0.00 N ATOM 839 CA ILE A 59 -4.146 18.470 -3.954 1.00 0.00 C ATOM 840 C ILE A 59 -5.593 17.998 -3.874 1.00 0.00 C ATOM 841 O ILE A 59 -5.925 16.902 -4.324 1.00 0.00 O ATOM 842 CB ILE A 59 -3.907 19.127 -5.326 1.00 0.00 C ATOM 843 CG1 ILE A 59 -3.798 18.059 -6.416 1.00 0.00 C ATOM 844 CG2 ILE A 59 -2.652 19.986 -5.291 1.00 0.00 C ATOM 845 CD1 ILE A 59 -4.099 18.579 -7.804 1.00 0.00 C ATOM 0 H ILE A 59 -3.202 16.669 -4.466 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.963 19.206 -3.171 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.757 19.769 -5.557 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.792 17.641 -6.404 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.485 17.245 -6.185 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.497 20.443 -6.268 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.766 20.767 -4.539 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.792 19.364 -5.041 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.002 17.768 -8.525 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.116 18.971 -7.833 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.396 19.373 -8.055 1.00 0.00 H new ATOM 857 N SER A 60 -6.452 18.834 -3.299 1.00 0.00 N ATOM 858 CA SER A 60 -7.865 18.502 -3.158 1.00 0.00 C ATOM 859 C SER A 60 -8.707 19.266 -4.175 1.00 0.00 C ATOM 860 O SER A 60 -8.838 20.487 -4.095 1.00 0.00 O ATOM 861 CB SER A 60 -8.346 18.818 -1.740 1.00 0.00 C ATOM 862 OG SER A 60 -8.209 20.199 -1.451 1.00 0.00 O ATOM 0 H SER A 60 -6.194 19.746 -2.923 1.00 0.00 H new ATOM 0 HA SER A 60 -7.982 17.434 -3.344 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.390 18.522 -1.632 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.773 18.234 -1.020 1.00 0.00 H new ATOM 0 HG SER A 60 -8.300 20.717 -2.278 1.00 0.00 H new ATOM 868 N GLU A 61 -9.275 18.537 -5.130 1.00 0.00 N ATOM 869 CA GLU A 61 -10.104 19.146 -6.164 1.00 0.00 C ATOM 870 C GLU A 61 -11.277 18.240 -6.526 1.00 0.00 C ATOM 871 O GLU A 61 -11.265 17.045 -6.234 1.00 0.00 O ATOM 872 CB GLU A 61 -9.268 19.440 -7.412 1.00 0.00 C ATOM 873 CG GLU A 61 -8.602 18.208 -8.001 1.00 0.00 C ATOM 874 CD GLU A 61 -9.597 17.122 -8.361 1.00 0.00 C ATOM 875 OE1 GLU A 61 -10.370 17.319 -9.322 1.00 0.00 O ATOM 876 OE2 GLU A 61 -9.602 16.074 -7.682 1.00 0.00 O ATOM 0 H GLU A 61 -9.177 17.525 -5.209 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.499 20.083 -5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.907 19.894 -8.169 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.501 20.173 -7.161 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.043 18.493 -8.892 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.881 17.812 -7.286 1.00 0.00 H new ATOM 883 N GLY A 62 -12.290 18.818 -7.163 1.00 0.00 N ATOM 884 CA GLY A 62 -13.457 18.049 -7.553 1.00 0.00 C ATOM 885 C GLY A 62 -14.684 18.400 -6.735 1.00 0.00 C ATOM 886 O GLY A 62 -15.678 18.884 -7.274 1.00 0.00 O ATOM 0 H GLY A 62 -12.323 19.806 -7.416 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.666 18.223 -8.609 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -13.242 16.986 -7.441 1.00 0.00 H new ATOM 890 N GLN A 63 -14.613 18.155 -5.431 1.00 0.00 N ATOM 891 CA GLN A 63 -15.728 18.446 -4.538 1.00 0.00 C ATOM 892 C GLN A 63 -15.373 19.573 -3.573 1.00 0.00 C ATOM 893 O GLN A 63 -14.198 19.870 -3.355 1.00 0.00 O ATOM 894 CB GLN A 63 -16.123 17.193 -3.754 1.00 0.00 C ATOM 895 CG GLN A 63 -16.742 16.106 -4.618 1.00 0.00 C ATOM 896 CD GLN A 63 -17.779 16.646 -5.582 1.00 0.00 C ATOM 897 OE1 GLN A 63 -17.591 16.612 -6.798 1.00 0.00 O ATOM 898 NE2 GLN A 63 -18.884 17.148 -5.043 1.00 0.00 N ATOM 0 H GLN A 63 -13.796 17.756 -4.969 1.00 0.00 H new ATOM 0 HA GLN A 63 -16.574 18.766 -5.147 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -15.240 16.792 -3.257 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.830 17.471 -2.972 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.956 15.603 -5.181 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -17.204 15.356 -3.976 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -18.999 17.156 -4.030 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -19.618 17.525 -5.643 1.00 0.00 H new ATOM 907 N LYS A 64 -16.395 20.197 -2.997 1.00 0.00 N ATOM 908 CA LYS A 64 -16.191 21.290 -2.054 1.00 0.00 C ATOM 909 C LYS A 64 -17.334 21.359 -1.046 1.00 0.00 C ATOM 910 O LYS A 64 -18.439 21.793 -1.375 1.00 0.00 O ATOM 911 CB LYS A 64 -16.075 22.620 -2.802 1.00 0.00 C ATOM 912 CG LYS A 64 -14.687 22.885 -3.359 1.00 0.00 C ATOM 913 CD LYS A 64 -14.632 24.203 -4.114 1.00 0.00 C ATOM 914 CE LYS A 64 -14.970 24.017 -5.585 1.00 0.00 C ATOM 915 NZ LYS A 64 -16.430 24.165 -5.841 1.00 0.00 N ATOM 0 H LYS A 64 -17.373 19.964 -3.167 1.00 0.00 H new ATOM 0 HA LYS A 64 -15.264 21.102 -1.513 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -16.794 22.631 -3.621 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -16.348 23.432 -2.128 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.964 22.901 -2.544 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.399 22.071 -4.024 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.330 24.910 -3.666 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.636 24.636 -4.020 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.421 24.748 -6.179 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.642 23.030 -5.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.829 23.246 -6.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.902 24.500 -4.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.580 24.853 -6.606 1.00 0.00 H new ATOM 929 N TYR A 65 -17.061 20.931 0.181 1.00 0.00 N ATOM 930 CA TYR A 65 -18.067 20.943 1.236 1.00 0.00 C ATOM 931 C TYR A 65 -17.579 21.735 2.445 1.00 0.00 C ATOM 932 O TYR A 65 -16.423 22.153 2.502 1.00 0.00 O ATOM 933 CB TYR A 65 -18.415 19.514 1.655 1.00 0.00 C ATOM 934 CG TYR A 65 -19.780 19.386 2.294 1.00 0.00 C ATOM 935 CD1 TYR A 65 -20.937 19.615 1.561 1.00 0.00 C ATOM 936 CD2 TYR A 65 -19.911 19.034 3.632 1.00 0.00 C ATOM 937 CE1 TYR A 65 -22.185 19.499 2.141 1.00 0.00 C ATOM 938 CE2 TYR A 65 -21.155 18.915 4.220 1.00 0.00 C ATOM 939 CZ TYR A 65 -22.289 19.149 3.471 1.00 0.00 C ATOM 940 OH TYR A 65 -23.531 19.031 4.052 1.00 0.00 O ATOM 0 H TYR A 65 -16.151 20.571 0.470 1.00 0.00 H new ATOM 0 HA TYR A 65 -18.961 21.427 0.844 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.371 18.867 0.779 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -17.660 19.155 2.355 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -20.860 19.889 0.519 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -19.025 18.850 4.222 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -23.075 19.681 1.556 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -21.239 18.640 5.261 1.00 0.00 H new ATOM 0 HH TYR A 65 -23.429 18.777 4.993 1.00 0.00 H new ATOM 950 N GLY A 66 -18.469 21.937 3.412 1.00 0.00 N ATOM 951 CA GLY A 66 -18.111 22.677 4.608 1.00 0.00 C ATOM 952 C GLY A 66 -17.400 21.815 5.631 1.00 0.00 C ATOM 953 O GLY A 66 -18.037 21.091 6.395 1.00 0.00 O ATOM 0 H GLY A 66 -19.432 21.601 3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.470 23.515 4.335 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -19.012 23.097 5.055 1.00 0.00 H new ATOM 957 N GLY A 67 -16.072 21.891 5.647 1.00 0.00 N ATOM 958 CA GLY A 67 -15.295 21.106 6.588 1.00 0.00 C ATOM 959 C GLY A 67 -13.878 20.861 6.107 1.00 0.00 C ATOM 960 O GLY A 67 -12.916 21.306 6.733 1.00 0.00 O ATOM 0 H GLY A 67 -15.521 22.482 5.025 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -15.266 21.620 7.549 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -15.790 20.149 6.754 1.00 0.00 H new ATOM 964 N LYS A 68 -13.748 20.150 4.992 1.00 0.00 N ATOM 965 CA LYS A 68 -12.439 19.845 4.427 1.00 0.00 C ATOM 966 C LYS A 68 -12.344 20.330 2.984 1.00 0.00 C ATOM 967 O LYS A 68 -13.132 19.927 2.130 1.00 0.00 O ATOM 968 CB LYS A 68 -12.172 18.339 4.489 1.00 0.00 C ATOM 969 CG LYS A 68 -12.112 17.790 5.904 1.00 0.00 C ATOM 970 CD LYS A 68 -12.568 16.341 5.959 1.00 0.00 C ATOM 971 CE LYS A 68 -12.675 15.845 7.393 1.00 0.00 C ATOM 972 NZ LYS A 68 -13.911 16.339 8.060 1.00 0.00 N ATOM 0 H LYS A 68 -14.534 19.774 4.462 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.685 20.366 5.018 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.954 17.817 3.938 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.230 18.124 3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.093 17.866 6.282 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.740 18.395 6.557 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.535 16.244 5.466 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.865 15.716 5.408 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.669 14.755 7.402 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.802 16.173 7.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.955 15.965 9.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.898 17.378 8.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.745 16.019 7.527 1.00 0.00 H new ATOM 986 N GLY A 69 -11.371 21.196 2.718 1.00 0.00 N ATOM 987 CA GLY A 69 -11.189 21.720 1.377 1.00 0.00 C ATOM 988 C GLY A 69 -11.777 23.108 1.212 1.00 0.00 C ATOM 989 O GLY A 69 -12.897 23.261 0.725 1.00 0.00 O ATOM 0 H GLY A 69 -10.705 21.544 3.408 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.125 21.749 1.143 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.654 21.044 0.660 1.00 0.00 H new ATOM 993 N TYR A 70 -11.021 24.121 1.621 1.00 0.00 N ATOM 994 CA TYR A 70 -11.476 25.502 1.520 1.00 0.00 C ATOM 995 C TYR A 70 -11.484 25.969 0.067 1.00 0.00 C ATOM 996 O TYR A 70 -10.443 26.011 -0.587 1.00 0.00 O ATOM 997 CB TYR A 70 -10.581 26.418 2.356 1.00 0.00 C ATOM 998 CG TYR A 70 -10.906 27.887 2.203 1.00 0.00 C ATOM 999 CD1 TYR A 70 -12.180 28.368 2.475 1.00 0.00 C ATOM 1000 CD2 TYR A 70 -9.938 28.793 1.786 1.00 0.00 C ATOM 1001 CE1 TYR A 70 -12.482 29.709 2.336 1.00 0.00 C ATOM 1002 CE2 TYR A 70 -10.231 30.136 1.646 1.00 0.00 C ATOM 1003 CZ TYR A 70 -11.504 30.589 1.922 1.00 0.00 C ATOM 1004 OH TYR A 70 -11.800 31.926 1.781 1.00 0.00 O ATOM 0 H TYR A 70 -10.091 24.011 2.025 1.00 0.00 H new ATOM 0 HA TYR A 70 -12.495 25.551 1.904 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.673 26.142 3.406 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -9.541 26.253 2.073 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -12.948 27.682 2.801 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.940 28.441 1.568 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -13.478 30.066 2.550 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.467 30.827 1.322 1.00 0.00 H new ATOM 0 HH TYR A 70 -11.001 32.408 1.483 1.00 0.00 H new ATOM 1014 N GLU A 71 -12.667 26.318 -0.429 1.00 0.00 N ATOM 1015 CA GLU A 71 -12.811 26.781 -1.804 1.00 0.00 C ATOM 1016 C GLU A 71 -12.045 28.082 -2.023 1.00 0.00 C ATOM 1017 O GLU A 71 -11.595 28.718 -1.070 1.00 0.00 O ATOM 1018 CB GLU A 71 -14.289 26.982 -2.146 1.00 0.00 C ATOM 1019 CG GLU A 71 -14.940 28.123 -1.382 1.00 0.00 C ATOM 1020 CD GLU A 71 -16.443 27.960 -1.260 1.00 0.00 C ATOM 1021 OE1 GLU A 71 -17.118 27.891 -2.309 1.00 0.00 O ATOM 1022 OE2 GLU A 71 -16.943 27.903 -0.118 1.00 0.00 O ATOM 0 H GLU A 71 -13.538 26.289 0.100 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.394 26.019 -2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.384 27.171 -3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.831 26.060 -1.936 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.503 28.184 -0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.720 29.065 -1.885 1.00 0.00 H new ATOM 1029 N ALA A 72 -11.901 28.472 -3.285 1.00 0.00 N ATOM 1030 CA ALA A 72 -11.191 29.698 -3.630 1.00 0.00 C ATOM 1031 C ALA A 72 -12.155 30.767 -4.134 1.00 0.00 C ATOM 1032 O ALA A 72 -13.274 30.463 -4.546 1.00 0.00 O ATOM 1033 CB ALA A 72 -10.123 29.413 -4.675 1.00 0.00 C ATOM 0 H ALA A 72 -12.267 27.957 -4.086 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.709 30.076 -2.728 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -9.601 30.337 -4.923 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.411 28.689 -4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -10.591 29.008 -5.572 1.00 0.00 H new ATOM 1039 N LYS A 73 -11.713 32.019 -4.097 1.00 0.00 N ATOM 1040 CA LYS A 73 -12.536 33.135 -4.550 1.00 0.00 C ATOM 1041 C LYS A 73 -12.987 32.927 -5.993 1.00 0.00 C ATOM 1042 O LYS A 73 -12.495 32.035 -6.684 1.00 0.00 O ATOM 1043 CB LYS A 73 -11.760 34.449 -4.431 1.00 0.00 C ATOM 1044 CG LYS A 73 -12.647 35.658 -4.190 1.00 0.00 C ATOM 1045 CD LYS A 73 -11.925 36.727 -3.386 1.00 0.00 C ATOM 1046 CE LYS A 73 -12.072 36.493 -1.890 1.00 0.00 C ATOM 1047 NZ LYS A 73 -11.010 35.593 -1.363 1.00 0.00 N ATOM 0 H LYS A 73 -10.789 32.287 -3.758 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.420 33.184 -3.915 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.043 34.366 -3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.186 34.606 -5.344 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.965 36.073 -5.146 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.548 35.350 -3.660 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.868 36.733 -3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.324 37.708 -3.643 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.031 37.449 -1.367 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.051 36.059 -1.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.713 35.921 -0.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.380 34.624 -1.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.194 35.605 -2.008 1.00 0.00 H new ATOM 1061 N SER A 74 -13.923 33.758 -6.441 1.00 0.00 N ATOM 1062 CA SER A 74 -14.441 33.664 -7.800 1.00 0.00 C ATOM 1063 C SER A 74 -14.802 35.044 -8.341 1.00 0.00 C ATOM 1064 O SER A 74 -14.767 36.036 -7.614 1.00 0.00 O ATOM 1065 CB SER A 74 -15.668 32.751 -7.839 1.00 0.00 C ATOM 1066 OG SER A 74 -15.958 32.342 -9.164 1.00 0.00 O ATOM 0 H SER A 74 -14.338 34.504 -5.882 1.00 0.00 H new ATOM 0 HA SER A 74 -13.661 33.239 -8.431 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.493 31.875 -7.215 1.00 0.00 H new ATOM 0 HB3 SER A 74 -16.528 33.274 -7.420 1.00 0.00 H new ATOM 0 HG SER A 74 -16.745 31.758 -9.161 1.00 0.00 H new ATOM 1072 N GLY A 75 -15.149 35.099 -9.623 1.00 0.00 N ATOM 1073 CA GLY A 75 -15.512 36.361 -10.240 1.00 0.00 C ATOM 1074 C GLY A 75 -16.885 36.319 -10.882 1.00 0.00 C ATOM 1075 O GLY A 75 -17.316 35.294 -11.409 1.00 0.00 O ATOM 0 H GLY A 75 -15.185 34.292 -10.245 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.490 37.149 -9.488 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -14.769 36.620 -10.995 1.00 0.00 H new ATOM 1079 N PRO A 76 -17.596 37.456 -10.841 1.00 0.00 N ATOM 1080 CA PRO A 76 -18.939 37.570 -11.417 1.00 0.00 C ATOM 1081 C PRO A 76 -18.922 37.521 -12.941 1.00 0.00 C ATOM 1082 O PRO A 76 -17.878 37.297 -13.552 1.00 0.00 O ATOM 1083 CB PRO A 76 -19.418 38.940 -10.931 1.00 0.00 C ATOM 1084 CG PRO A 76 -18.169 39.715 -10.691 1.00 0.00 C ATOM 1085 CD PRO A 76 -17.144 38.716 -10.228 1.00 0.00 C ATOM 0 HA PRO A 76 -19.584 36.746 -11.114 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -20.048 39.426 -11.676 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -20.010 38.852 -10.020 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -17.841 40.218 -11.601 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -18.328 40.488 -9.939 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -16.141 38.987 -10.558 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -17.113 38.646 -9.141 1.00 0.00 H new ATOM 1093 N SER A 77 -20.086 37.733 -13.548 1.00 0.00 N ATOM 1094 CA SER A 77 -20.205 37.709 -15.001 1.00 0.00 C ATOM 1095 C SER A 77 -21.102 38.842 -15.491 1.00 0.00 C ATOM 1096 O SER A 77 -21.721 39.546 -14.695 1.00 0.00 O ATOM 1097 CB SER A 77 -20.763 36.363 -15.467 1.00 0.00 C ATOM 1098 OG SER A 77 -22.087 36.171 -14.999 1.00 0.00 O ATOM 0 H SER A 77 -20.959 37.923 -13.056 1.00 0.00 H new ATOM 0 HA SER A 77 -19.210 37.847 -15.425 1.00 0.00 H new ATOM 0 HB2 SER A 77 -20.748 36.317 -16.556 1.00 0.00 H new ATOM 0 HB3 SER A 77 -20.125 35.556 -15.105 1.00 0.00 H new ATOM 0 HG SER A 77 -22.422 35.305 -15.311 1.00 0.00 H new ATOM 1104 N SER A 78 -21.166 39.010 -16.808 1.00 0.00 N ATOM 1105 CA SER A 78 -21.983 40.059 -17.406 1.00 0.00 C ATOM 1106 C SER A 78 -23.030 39.465 -18.343 1.00 0.00 C ATOM 1107 O SER A 78 -23.063 38.256 -18.568 1.00 0.00 O ATOM 1108 CB SER A 78 -21.102 41.049 -18.170 1.00 0.00 C ATOM 1109 OG SER A 78 -20.098 41.592 -17.330 1.00 0.00 O ATOM 0 H SER A 78 -20.662 38.433 -17.481 1.00 0.00 H new ATOM 0 HA SER A 78 -22.497 40.586 -16.602 1.00 0.00 H new ATOM 0 HB2 SER A 78 -20.638 40.547 -19.019 1.00 0.00 H new ATOM 0 HB3 SER A 78 -21.718 41.853 -18.572 1.00 0.00 H new ATOM 0 HG SER A 78 -19.547 42.220 -17.842 1.00 0.00 H new ATOM 1115 N GLY A 79 -23.885 40.325 -18.887 1.00 0.00 N ATOM 1116 CA GLY A 79 -24.922 39.867 -19.794 1.00 0.00 C ATOM 1117 C GLY A 79 -24.845 40.541 -21.150 1.00 0.00 C ATOM 1118 O GLY A 79 -23.742 40.765 -21.645 1.00 0.00 O ATOM 0 H GLY A 79 -23.879 41.331 -18.716 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -24.837 38.788 -19.923 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -25.899 40.060 -19.351 1.00 0.00 H new TER 1122 GLY A 79 HETATM 1123 ZN ZN A 201 3.973 -4.709 1.790 1.00 0.00 ZN HETATM 1124 ZN ZN A 401 -1.815 12.193 -1.434 1.00 0.00 ZN