USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 878 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 71 HIS HE2 : A 71 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC H2D : A 104 HEC O2D : A 104 HEC CGD :(short bond) USER MOD NoAdj-H: A 104 HEC H2A : A 104 HEC O2A : A 104 HEC CGA :(short bond) USER MOD Set 1.1: A -5 THR N :NH3+ -137:sc= 0.527 (180deg=0.00393) USER MOD Set 1.2: A 62 ASN : amide:sc= -0.583 K(o=-0.056,f=-2.1!) USER MOD Set 2.1: A 40 SER OG : rot -15:sc= -1.48! USER MOD Set 2.2: A 52 ASN : amide:sc= -2.36 K(o=-3.8,f=-5.7!) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 26 HIS : no HD1:sc= -17.4! C(o=-25!,f=-35!) USER MOD Set 3.3: A 31 ASN : amide:sc= -7.52! C(o=-25!,f=-36!) USER MOD Single : A 2 SER OG : rot -23:sc= 0.799! USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.125) USER MOD Single : A 8 THR OG1 : rot -40:sc= 1.17 USER MOD Single : A -2 LYS NZ :NH3+ 152:sc= -0.212 (180deg=-0.939) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0.00556 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -78:sc= 0.293 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -3.52! C(o=-3.5!,f=-4.1!) USER MOD Single : A 39 HIS : no HD1:sc= -0.164 X(o=-0.16,f=-0.24) USER MOD Single : A 42 GLN : amide:sc= -3.12! K(o=-3.1!,f=-1.8) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 105:sc= 0.506 USER MOD Single : A 49 THR OG1 : rot -63:sc= -1.22 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.645! C(o=-0.65!,f=-7!) USER MOD Single : A 63 ASN : amide:sc= 1.11 K(o=1.1,f=-2.1!) USER MOD Single : A 64 MET CE :methyl 159:sc= -0.356 (180deg=-1.19) USER MOD Single : A 65 SER OG : rot 87:sc= 1.26 USER MOD Single : A 67 TYR OH : rot -71:sc= 0.669 USER MOD Single : A 69 THR OG1 : rot 180:sc=0.000875 USER MOD Single : A 70 ASN : amide:sc= -0.551 K(o=-0.55,f=-1.6!) USER MOD Single : A 73 LYS NZ :NH3+ 153:sc= 0.125 (180deg=0.0273) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -154:sc= -0.244 (180deg=-1.62!) USER MOD Single : A 86 LYS NZ :NH3+ 154:sc= -0.158 (180deg=-1.1) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -4.7! C(o=-4.7!,f=-5.9!) USER MOD Single : A 96 THR OG1 : rot 72:sc= 0.316 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 156:sc= -0.0846 (180deg=-1.12) USER MOD Single : A 100 LYS NZ :NH3+ 154:sc= -0.314 (180deg=-1.27!) USER MOD Single : A 102 THR OG1 : rot 79:sc= 0.167 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -13.043 2.076 7.586 1.00 0.00 N ATOM 2 CA THR A -5 -14.486 2.371 7.359 1.00 0.00 C ATOM 3 C THR A -5 -14.634 3.781 6.785 1.00 0.00 C ATOM 4 O THR A -5 -15.225 3.978 5.741 1.00 0.00 O ATOM 5 CB THR A -5 -15.240 2.278 8.687 1.00 0.00 C ATOM 6 OG1 THR A -5 -14.309 2.287 9.760 1.00 0.00 O ATOM 7 CG2 THR A -5 -16.053 0.982 8.726 1.00 0.00 C ATOM 0 H1 THR A -5 -12.832 1.109 7.266 1.00 0.00 H new ATOM 0 H2 THR A -5 -12.462 2.752 7.051 1.00 0.00 H new ATOM 0 H3 THR A -5 -12.827 2.160 8.600 1.00 0.00 H new ATOM 0 HA THR A -5 -14.899 1.648 6.656 1.00 0.00 H new ATOM 0 HB THR A -5 -15.914 3.130 8.782 1.00 0.00 H new ATOM 0 HG1 THR A -5 -14.791 2.229 10.612 1.00 0.00 H new ATOM 0 HG21 THR A -5 -16.589 0.917 9.673 1.00 0.00 H new ATOM 0 HG22 THR A -5 -16.767 0.976 7.903 1.00 0.00 H new ATOM 0 HG23 THR A -5 -15.382 0.128 8.630 1.00 0.00 H new ATOM 17 N GLU A -4 -14.103 4.765 7.457 1.00 0.00 N ATOM 18 CA GLU A -4 -14.215 6.162 6.949 1.00 0.00 C ATOM 19 C GLU A -4 -12.898 6.569 6.285 1.00 0.00 C ATOM 20 O GLU A -4 -11.827 6.260 6.768 1.00 0.00 O ATOM 21 CB GLU A -4 -14.512 7.107 8.115 1.00 0.00 C ATOM 22 CG GLU A -4 -14.766 8.517 7.579 1.00 0.00 C ATOM 23 CD GLU A -4 -14.962 9.481 8.750 1.00 0.00 C ATOM 24 OE1 GLU A -4 -14.872 9.033 9.882 1.00 0.00 O ATOM 25 OE2 GLU A -4 -15.200 10.650 8.496 1.00 0.00 O ATOM 0 H GLU A -4 -13.596 4.662 8.336 1.00 0.00 H new ATOM 0 HA GLU A -4 -15.023 6.220 6.220 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -15.382 6.755 8.669 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -13.673 7.117 8.811 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -13.926 8.841 6.965 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -15.649 8.521 6.940 1.00 0.00 H new ATOM 32 N PHE A -3 -12.968 7.259 5.180 1.00 0.00 N ATOM 33 CA PHE A -3 -11.721 7.683 4.487 1.00 0.00 C ATOM 34 C PHE A -3 -11.432 9.152 4.800 1.00 0.00 C ATOM 35 O PHE A -3 -12.287 10.005 4.668 1.00 0.00 O ATOM 36 CB PHE A -3 -11.892 7.510 2.978 1.00 0.00 C ATOM 37 CG PHE A -3 -10.590 7.830 2.282 1.00 0.00 C ATOM 38 CD1 PHE A -3 -9.630 6.829 2.094 1.00 0.00 C ATOM 39 CD2 PHE A -3 -10.343 9.131 1.825 1.00 0.00 C ATOM 40 CE1 PHE A -3 -8.424 7.128 1.449 1.00 0.00 C ATOM 41 CE2 PHE A -3 -9.137 9.429 1.180 1.00 0.00 C ATOM 42 CZ PHE A -3 -8.177 8.428 0.992 1.00 0.00 C ATOM 0 H PHE A -3 -13.836 7.547 4.728 1.00 0.00 H new ATOM 0 HA PHE A -3 -10.890 7.069 4.833 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -12.196 6.488 2.751 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -12.682 8.166 2.613 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -9.820 5.826 2.447 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -11.083 9.904 1.970 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -7.684 6.355 1.304 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -8.947 10.432 0.827 1.00 0.00 H new ATOM 0 HZ PHE A -3 -7.246 8.658 0.495 1.00 0.00 H new ATOM 52 N LYS A -2 -10.228 9.452 5.211 1.00 0.00 N ATOM 53 CA LYS A -2 -9.871 10.862 5.531 1.00 0.00 C ATOM 54 C LYS A -2 -8.863 11.372 4.499 1.00 0.00 C ATOM 55 O LYS A -2 -8.096 10.611 3.942 1.00 0.00 O ATOM 56 CB LYS A -2 -9.251 10.928 6.928 1.00 0.00 C ATOM 57 CG LYS A -2 -10.201 10.295 7.951 1.00 0.00 C ATOM 58 CD LYS A -2 -11.475 11.136 8.073 1.00 0.00 C ATOM 59 CE LYS A -2 -12.224 10.742 9.347 1.00 0.00 C ATOM 60 NZ LYS A -2 -11.404 11.106 10.537 1.00 0.00 N ATOM 0 H LYS A -2 -9.474 8.777 5.339 1.00 0.00 H new ATOM 0 HA LYS A -2 -10.767 11.482 5.505 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -8.294 10.406 6.936 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -9.051 11.965 7.198 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -10.454 9.280 7.645 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -9.709 10.223 8.921 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -11.223 12.196 8.099 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -12.111 10.981 7.201 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -13.188 11.250 9.387 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -12.427 9.671 9.346 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -12.030 11.294 11.346 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -10.763 10.321 10.771 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -10.845 11.957 10.326 1.00 0.00 H new ATOM 74 N ALA A -1 -8.862 12.652 4.235 1.00 0.00 N ATOM 75 CA ALA A -1 -7.909 13.210 3.234 1.00 0.00 C ATOM 76 C ALA A -1 -7.176 14.413 3.831 1.00 0.00 C ATOM 77 O ALA A -1 -7.380 14.775 4.973 1.00 0.00 O ATOM 78 CB ALA A -1 -8.682 13.652 1.992 1.00 0.00 C ATOM 0 H ALA A -1 -9.481 13.335 4.671 1.00 0.00 H new ATOM 0 HA ALA A -1 -7.182 12.445 2.962 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -7.988 14.061 1.258 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -9.201 12.795 1.563 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -9.409 14.416 2.269 1.00 0.00 H new ATOM 84 N GLY A 1 -6.322 15.035 3.064 1.00 0.00 N ATOM 85 CA GLY A 1 -5.573 16.216 3.579 1.00 0.00 C ATOM 86 C GLY A 1 -4.882 16.927 2.414 1.00 0.00 C ATOM 87 O GLY A 1 -5.345 17.942 1.932 1.00 0.00 O ATOM 0 H GLY A 1 -6.111 14.775 2.101 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.254 16.900 4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.835 15.899 4.316 1.00 0.00 H new ATOM 91 N SER A 2 -3.781 16.399 1.953 1.00 0.00 N ATOM 92 CA SER A 2 -3.066 17.038 0.816 1.00 0.00 C ATOM 93 C SER A 2 -2.254 15.973 0.076 1.00 0.00 C ATOM 94 O SER A 2 -1.352 15.372 0.626 1.00 0.00 O ATOM 95 CB SER A 2 -2.129 18.123 1.348 1.00 0.00 C ATOM 96 OG SER A 2 -0.877 17.540 1.685 1.00 0.00 O ATOM 0 H SER A 2 -3.346 15.551 2.317 1.00 0.00 H new ATOM 0 HA SER A 2 -3.786 17.490 0.133 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.990 18.900 0.596 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.568 18.601 2.224 1.00 0.00 H new ATOM 0 HG SER A 2 -0.998 16.583 1.860 1.00 0.00 H new ATOM 102 N ALA A 3 -2.569 15.733 -1.166 1.00 0.00 N ATOM 103 CA ALA A 3 -1.822 14.705 -1.942 1.00 0.00 C ATOM 104 C ALA A 3 -0.393 15.187 -2.201 1.00 0.00 C ATOM 105 O ALA A 3 0.530 14.402 -2.288 1.00 0.00 O ATOM 106 CB ALA A 3 -2.530 14.466 -3.276 1.00 0.00 C ATOM 0 H ALA A 3 -3.314 16.206 -1.678 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.788 13.776 -1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.986 13.714 -3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.546 14.117 -3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.564 15.397 -3.842 1.00 0.00 H new ATOM 112 N LYS A 4 -0.207 16.471 -2.335 1.00 0.00 N ATOM 113 CA LYS A 4 1.158 17.003 -2.600 1.00 0.00 C ATOM 114 C LYS A 4 2.169 16.275 -1.712 1.00 0.00 C ATOM 115 O LYS A 4 3.006 15.533 -2.186 1.00 0.00 O ATOM 116 CB LYS A 4 1.204 18.504 -2.286 1.00 0.00 C ATOM 117 CG LYS A 4 -0.209 19.041 -2.027 1.00 0.00 C ATOM 118 CD LYS A 4 -1.052 18.939 -3.302 1.00 0.00 C ATOM 119 CE LYS A 4 -2.517 18.707 -2.924 1.00 0.00 C ATOM 120 NZ LYS A 4 -3.399 19.288 -3.974 1.00 0.00 N ATOM 0 H LYS A 4 -0.942 17.175 -2.272 1.00 0.00 H new ATOM 0 HA LYS A 4 1.404 16.845 -3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.832 18.680 -1.413 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.657 19.042 -3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.680 18.475 -1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.158 20.079 -1.698 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -0.956 19.853 -3.889 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.692 18.121 -3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.712 17.640 -2.820 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.732 19.166 -1.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.394 19.130 -3.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.219 20.309 -4.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.200 18.830 -4.887 1.00 0.00 H new ATOM 134 N LYS A 5 2.096 16.480 -0.426 1.00 0.00 N ATOM 135 CA LYS A 5 3.048 15.800 0.492 1.00 0.00 C ATOM 136 C LYS A 5 2.878 14.285 0.378 1.00 0.00 C ATOM 137 O LYS A 5 3.833 13.536 0.437 1.00 0.00 O ATOM 138 CB LYS A 5 2.764 16.240 1.925 1.00 0.00 C ATOM 139 CG LYS A 5 3.033 17.739 2.063 1.00 0.00 C ATOM 140 CD LYS A 5 2.867 18.155 3.525 1.00 0.00 C ATOM 141 CE LYS A 5 3.016 19.673 3.644 1.00 0.00 C ATOM 142 NZ LYS A 5 4.439 20.051 3.415 1.00 0.00 N ATOM 0 H LYS A 5 1.417 17.090 0.028 1.00 0.00 H new ATOM 0 HA LYS A 5 4.070 16.067 0.222 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.729 16.020 2.185 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.392 15.682 2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.041 17.971 1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.344 18.302 1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.889 17.845 3.894 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.613 17.656 4.143 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.375 20.170 2.916 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.695 20.005 4.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.584 21.043 3.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.057 19.439 3.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.671 19.936 2.408 1.00 0.00 H new ATOM 156 N GLY A 6 1.667 13.830 0.218 1.00 0.00 N ATOM 157 CA GLY A 6 1.430 12.363 0.103 1.00 0.00 C ATOM 158 C GLY A 6 2.205 11.804 -1.088 1.00 0.00 C ATOM 159 O GLY A 6 2.730 10.709 -1.041 1.00 0.00 O ATOM 0 H GLY A 6 0.830 14.410 0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.743 11.862 1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.365 12.166 -0.020 1.00 0.00 H new ATOM 163 N ALA A 7 2.281 12.544 -2.158 1.00 0.00 N ATOM 164 CA ALA A 7 3.021 12.048 -3.351 1.00 0.00 C ATOM 165 C ALA A 7 4.492 11.850 -2.988 1.00 0.00 C ATOM 166 O ALA A 7 5.106 10.868 -3.355 1.00 0.00 O ATOM 167 CB ALA A 7 2.908 13.069 -4.484 1.00 0.00 C ATOM 0 H ALA A 7 1.864 13.469 -2.258 1.00 0.00 H new ATOM 0 HA ALA A 7 2.594 11.099 -3.676 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.450 12.705 -5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.859 13.212 -4.742 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.335 14.019 -4.162 1.00 0.00 H new ATOM 173 N THR A 8 5.062 12.775 -2.269 1.00 0.00 N ATOM 174 CA THR A 8 6.490 12.641 -1.882 1.00 0.00 C ATOM 175 C THR A 8 6.627 11.593 -0.776 1.00 0.00 C ATOM 176 O THR A 8 7.631 10.917 -0.671 1.00 0.00 O ATOM 177 CB THR A 8 7.004 13.987 -1.377 1.00 0.00 C ATOM 178 OG1 THR A 8 6.351 14.315 -0.158 1.00 0.00 O ATOM 179 CG2 THR A 8 6.720 15.070 -2.419 1.00 0.00 C ATOM 0 H THR A 8 4.598 13.619 -1.933 1.00 0.00 H new ATOM 0 HA THR A 8 7.074 12.328 -2.748 1.00 0.00 H new ATOM 0 HB THR A 8 8.079 13.924 -1.208 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.407 14.059 -0.213 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.088 16.030 -2.056 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.223 14.818 -3.352 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.646 15.135 -2.592 1.00 0.00 H new ATOM 187 N LEU A 9 5.628 11.453 0.054 1.00 0.00 N ATOM 188 CA LEU A 9 5.712 10.450 1.150 1.00 0.00 C ATOM 189 C LEU A 9 5.988 9.074 0.546 1.00 0.00 C ATOM 190 O LEU A 9 6.841 8.338 1.004 1.00 0.00 O ATOM 191 CB LEU A 9 4.384 10.424 1.909 1.00 0.00 C ATOM 192 CG LEU A 9 4.510 9.517 3.131 1.00 0.00 C ATOM 193 CD1 LEU A 9 5.534 10.110 4.099 1.00 0.00 C ATOM 194 CD2 LEU A 9 3.152 9.416 3.830 1.00 0.00 C ATOM 0 H LEU A 9 4.761 11.989 0.019 1.00 0.00 H new ATOM 0 HA LEU A 9 6.516 10.713 1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.111 11.433 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.588 10.064 1.257 1.00 0.00 H new ATOM 0 HG LEU A 9 4.835 8.525 2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.626 9.464 4.972 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.501 10.188 3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.206 11.101 4.413 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.239 8.769 4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.830 10.409 4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.418 8.998 3.141 1.00 0.00 H new ATOM 206 N PHE A 10 5.285 8.734 -0.496 1.00 0.00 N ATOM 207 CA PHE A 10 5.515 7.420 -1.155 1.00 0.00 C ATOM 208 C PHE A 10 6.940 7.380 -1.698 1.00 0.00 C ATOM 209 O PHE A 10 7.649 6.404 -1.555 1.00 0.00 O ATOM 210 CB PHE A 10 4.529 7.260 -2.317 1.00 0.00 C ATOM 211 CG PHE A 10 4.891 6.037 -3.131 1.00 0.00 C ATOM 212 CD1 PHE A 10 5.957 6.095 -4.038 1.00 0.00 C ATOM 213 CD2 PHE A 10 4.162 4.850 -2.984 1.00 0.00 C ATOM 214 CE1 PHE A 10 6.296 4.969 -4.795 1.00 0.00 C ATOM 215 CE2 PHE A 10 4.501 3.722 -3.746 1.00 0.00 C ATOM 216 CZ PHE A 10 5.570 3.783 -4.651 1.00 0.00 C ATOM 0 H PHE A 10 4.559 9.311 -0.921 1.00 0.00 H new ATOM 0 HA PHE A 10 5.369 6.614 -0.436 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.513 7.165 -1.934 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.550 8.148 -2.949 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.518 7.011 -4.153 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.340 4.803 -2.285 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.120 5.016 -5.492 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.939 2.807 -3.635 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.832 2.914 -5.237 1.00 0.00 H new ATOM 226 N LYS A 11 7.352 8.437 -2.338 1.00 0.00 N ATOM 227 CA LYS A 11 8.716 8.480 -2.919 1.00 0.00 C ATOM 228 C LYS A 11 9.778 8.377 -1.823 1.00 0.00 C ATOM 229 O LYS A 11 10.842 7.827 -2.029 1.00 0.00 O ATOM 230 CB LYS A 11 8.896 9.800 -3.670 1.00 0.00 C ATOM 231 CG LYS A 11 7.901 9.871 -4.828 1.00 0.00 C ATOM 232 CD LYS A 11 8.174 11.125 -5.661 1.00 0.00 C ATOM 233 CE LYS A 11 7.100 11.265 -6.741 1.00 0.00 C ATOM 234 NZ LYS A 11 6.212 12.416 -6.413 1.00 0.00 N ATOM 0 H LYS A 11 6.795 9.279 -2.483 1.00 0.00 H new ATOM 0 HA LYS A 11 8.834 7.636 -3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.741 10.640 -2.992 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.915 9.879 -4.048 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.989 8.981 -5.452 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.881 9.892 -4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.177 12.007 -5.020 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.160 11.062 -6.120 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.566 11.417 -7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.515 10.348 -6.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.482 12.511 -7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.758 12.252 -5.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.776 13.289 -6.371 1.00 0.00 H new ATOM 248 N THR A 12 9.518 8.929 -0.672 1.00 0.00 N ATOM 249 CA THR A 12 10.532 8.893 0.415 1.00 0.00 C ATOM 250 C THR A 12 10.310 7.697 1.348 1.00 0.00 C ATOM 251 O THR A 12 10.977 7.575 2.357 1.00 0.00 O ATOM 252 CB THR A 12 10.431 10.186 1.222 1.00 0.00 C ATOM 253 OG1 THR A 12 9.154 10.257 1.840 1.00 0.00 O ATOM 254 CG2 THR A 12 10.620 11.387 0.294 1.00 0.00 C ATOM 0 H THR A 12 8.646 9.404 -0.437 1.00 0.00 H new ATOM 0 HA THR A 12 11.520 8.793 -0.034 1.00 0.00 H new ATOM 0 HB THR A 12 11.207 10.198 1.988 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.486 10.536 1.179 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.548 12.308 0.872 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.601 11.331 -0.178 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.847 11.379 -0.474 1.00 0.00 H new ATOM 262 N ARG A 13 9.387 6.820 1.047 1.00 0.00 N ATOM 263 CA ARG A 13 9.164 5.661 1.964 1.00 0.00 C ATOM 264 C ARG A 13 8.907 4.366 1.184 1.00 0.00 C ATOM 265 O ARG A 13 9.685 3.436 1.247 1.00 0.00 O ATOM 266 CB ARG A 13 7.967 5.955 2.869 1.00 0.00 C ATOM 267 CG ARG A 13 8.313 7.115 3.804 1.00 0.00 C ATOM 268 CD ARG A 13 7.188 7.306 4.822 1.00 0.00 C ATOM 269 NE ARG A 13 7.464 8.516 5.647 1.00 0.00 N ATOM 270 CZ ARG A 13 8.457 8.516 6.493 1.00 0.00 C ATOM 271 NH1 ARG A 13 9.208 7.456 6.618 1.00 0.00 N ATOM 272 NH2 ARG A 13 8.700 9.576 7.214 1.00 0.00 N ATOM 0 H ARG A 13 8.788 6.853 0.222 1.00 0.00 H new ATOM 0 HA ARG A 13 10.066 5.522 2.561 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.094 6.206 2.267 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.709 5.069 3.450 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.252 6.913 4.319 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.455 8.030 3.228 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.233 7.413 4.308 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.109 6.427 5.462 1.00 0.00 H new ATOM 0 HE ARG A 13 6.876 9.344 5.550 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.019 6.627 6.054 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.984 7.456 7.280 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.113 10.405 7.116 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.476 9.576 7.875 1.00 0.00 H new ATOM 286 N CYS A 14 7.816 4.280 0.474 1.00 0.00 N ATOM 287 CA CYS A 14 7.519 3.020 -0.271 1.00 0.00 C ATOM 288 C CYS A 14 8.550 2.801 -1.384 1.00 0.00 C ATOM 289 O CYS A 14 8.852 1.682 -1.744 1.00 0.00 O ATOM 290 CB CYS A 14 6.115 3.088 -0.876 1.00 0.00 C ATOM 291 SG CYS A 14 5.004 4.083 0.165 1.00 0.00 S ATOM 0 H CYS A 14 7.121 5.020 0.376 1.00 0.00 H new ATOM 0 HA CYS A 14 7.571 2.184 0.427 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.166 3.520 -1.875 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.713 2.081 -0.984 1.00 0.00 H new ATOM 296 N LEU A 15 9.085 3.851 -1.938 1.00 0.00 N ATOM 297 CA LEU A 15 10.087 3.685 -3.033 1.00 0.00 C ATOM 298 C LEU A 15 11.252 2.814 -2.555 1.00 0.00 C ATOM 299 O LEU A 15 11.817 2.051 -3.312 1.00 0.00 O ATOM 300 CB LEU A 15 10.617 5.056 -3.454 1.00 0.00 C ATOM 301 CG LEU A 15 11.597 4.900 -4.622 1.00 0.00 C ATOM 302 CD1 LEU A 15 10.848 4.406 -5.862 1.00 0.00 C ATOM 303 CD2 LEU A 15 12.241 6.254 -4.925 1.00 0.00 C ATOM 0 H LEU A 15 8.875 4.816 -1.683 1.00 0.00 H new ATOM 0 HA LEU A 15 9.605 3.201 -3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.789 5.702 -3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.115 5.537 -2.612 1.00 0.00 H new ATOM 0 HG LEU A 15 12.367 4.177 -4.354 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.548 4.296 -6.690 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.385 3.443 -5.648 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.076 5.127 -6.132 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.939 6.147 -5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.467 6.974 -5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.777 6.607 -4.044 1.00 0.00 H new ATOM 315 N GLN A 16 11.629 2.934 -1.314 1.00 0.00 N ATOM 316 CA GLN A 16 12.772 2.126 -0.803 1.00 0.00 C ATOM 317 C GLN A 16 12.509 0.630 -1.010 1.00 0.00 C ATOM 318 O GLN A 16 13.413 -0.124 -1.309 1.00 0.00 O ATOM 319 CB GLN A 16 12.961 2.402 0.690 1.00 0.00 C ATOM 320 CG GLN A 16 13.372 3.862 0.892 1.00 0.00 C ATOM 321 CD GLN A 16 13.515 4.151 2.388 1.00 0.00 C ATOM 322 OE1 GLN A 16 13.022 3.406 3.212 1.00 0.00 O ATOM 323 NE2 GLN A 16 14.174 5.208 2.776 1.00 0.00 N ATOM 0 H GLN A 16 11.196 3.556 -0.631 1.00 0.00 H new ATOM 0 HA GLN A 16 13.671 2.405 -1.352 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.036 2.196 1.229 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.723 1.739 1.100 1.00 0.00 H new ATOM 0 HG2 GLN A 16 14.314 4.059 0.381 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.626 4.525 0.453 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.588 5.833 2.085 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.275 5.409 3.771 1.00 0.00 H new ATOM 332 N CYS A 17 11.287 0.192 -0.844 1.00 0.00 N ATOM 333 CA CYS A 17 10.986 -1.262 -1.022 1.00 0.00 C ATOM 334 C CYS A 17 10.118 -1.485 -2.262 1.00 0.00 C ATOM 335 O CYS A 17 10.333 -2.408 -3.021 1.00 0.00 O ATOM 336 CB CYS A 17 10.251 -1.779 0.218 1.00 0.00 C ATOM 337 SG CYS A 17 11.332 -1.644 1.673 1.00 0.00 S ATOM 0 H CYS A 17 10.488 0.774 -0.594 1.00 0.00 H new ATOM 0 HA CYS A 17 11.923 -1.803 -1.153 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.338 -1.205 0.377 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.953 -2.817 0.069 1.00 0.00 H new ATOM 342 N HIS A 18 9.131 -0.663 -2.466 1.00 0.00 N ATOM 343 CA HIS A 18 8.242 -0.848 -3.652 1.00 0.00 C ATOM 344 C HIS A 18 8.673 0.064 -4.796 1.00 0.00 C ATOM 345 O HIS A 18 9.268 1.100 -4.594 1.00 0.00 O ATOM 346 CB HIS A 18 6.807 -0.478 -3.288 1.00 0.00 C ATOM 347 CG HIS A 18 6.295 -1.375 -2.205 1.00 0.00 C ATOM 348 ND1 HIS A 18 5.949 -2.700 -2.438 1.00 0.00 N ATOM 349 CD2 HIS A 18 6.022 -1.140 -0.886 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.483 -3.204 -1.280 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.508 -2.289 -0.314 1.00 0.00 N ATOM 0 H HIS A 18 8.898 0.129 -1.867 1.00 0.00 H new ATOM 0 HA HIS A 18 8.310 -1.892 -3.958 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.765 0.560 -2.959 1.00 0.00 H new ATOM 0 HB3 HIS A 18 6.169 -0.560 -4.168 1.00 0.00 H new ATOM 0 HD1 HIS A 18 6.033 -3.199 -3.324 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.183 -0.204 -0.372 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.134 -4.218 -1.152 1.00 0.00 H new ATOM 359 N THR A 19 8.337 -0.311 -5.998 1.00 0.00 N ATOM 360 CA THR A 19 8.675 0.536 -7.176 1.00 0.00 C ATOM 361 C THR A 19 7.372 0.919 -7.876 1.00 0.00 C ATOM 362 O THR A 19 6.463 0.122 -7.995 1.00 0.00 O ATOM 363 CB THR A 19 9.548 -0.240 -8.152 1.00 0.00 C ATOM 364 OG1 THR A 19 10.551 -0.949 -7.438 1.00 0.00 O ATOM 365 CG2 THR A 19 10.209 0.737 -9.127 1.00 0.00 C ATOM 0 H THR A 19 7.839 -1.174 -6.217 1.00 0.00 H new ATOM 0 HA THR A 19 9.217 1.422 -6.846 1.00 0.00 H new ATOM 0 HB THR A 19 8.932 -0.949 -8.705 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.110 -1.449 -8.069 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.835 0.184 -9.827 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.439 1.278 -9.677 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.824 1.445 -8.572 1.00 0.00 H new ATOM 373 N VAL A 20 7.266 2.131 -8.330 1.00 0.00 N ATOM 374 CA VAL A 20 6.015 2.566 -9.010 1.00 0.00 C ATOM 375 C VAL A 20 5.846 1.822 -10.337 1.00 0.00 C ATOM 376 O VAL A 20 4.753 1.450 -10.716 1.00 0.00 O ATOM 377 CB VAL A 20 6.102 4.061 -9.281 1.00 0.00 C ATOM 378 CG1 VAL A 20 4.754 4.573 -9.787 1.00 0.00 C ATOM 379 CG2 VAL A 20 6.484 4.774 -7.988 1.00 0.00 C ATOM 0 H VAL A 20 7.992 2.844 -8.261 1.00 0.00 H new ATOM 0 HA VAL A 20 5.160 2.344 -8.371 1.00 0.00 H new ATOM 0 HB VAL A 20 6.857 4.258 -10.042 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.821 5.644 -9.980 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.490 4.054 -10.709 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.988 4.387 -9.034 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.550 5.847 -8.170 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.727 4.580 -7.228 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.449 4.405 -7.641 1.00 0.00 H new ATOM 389 N GLU A 21 6.916 1.615 -11.054 1.00 0.00 N ATOM 390 CA GLU A 21 6.809 0.911 -12.364 1.00 0.00 C ATOM 391 C GLU A 21 6.103 -0.432 -12.175 1.00 0.00 C ATOM 392 O GLU A 21 6.300 -1.118 -11.192 1.00 0.00 O ATOM 393 CB GLU A 21 8.210 0.674 -12.931 1.00 0.00 C ATOM 394 CG GLU A 21 8.885 2.019 -13.199 1.00 0.00 C ATOM 395 CD GLU A 21 10.264 1.785 -13.819 1.00 0.00 C ATOM 396 OE1 GLU A 21 10.691 0.643 -13.849 1.00 0.00 O ATOM 397 OE2 GLU A 21 10.868 2.752 -14.252 1.00 0.00 O ATOM 0 H GLU A 21 7.859 1.902 -10.790 1.00 0.00 H new ATOM 0 HA GLU A 21 6.233 1.526 -13.056 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.804 0.090 -12.228 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.148 0.096 -13.853 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.270 2.619 -13.870 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.983 2.580 -12.270 1.00 0.00 H new ATOM 404 N LYS A 22 5.284 -0.812 -13.116 1.00 0.00 N ATOM 405 CA LYS A 22 4.565 -2.112 -13.001 1.00 0.00 C ATOM 406 C LYS A 22 5.535 -3.249 -13.320 1.00 0.00 C ATOM 407 O LYS A 22 6.243 -3.215 -14.307 1.00 0.00 O ATOM 408 CB LYS A 22 3.400 -2.141 -13.993 1.00 0.00 C ATOM 409 CG LYS A 22 2.534 -3.374 -13.728 1.00 0.00 C ATOM 410 CD LYS A 22 1.421 -3.450 -14.775 1.00 0.00 C ATOM 411 CE LYS A 22 0.474 -4.601 -14.433 1.00 0.00 C ATOM 412 NZ LYS A 22 0.036 -5.274 -15.688 1.00 0.00 N ATOM 0 H LYS A 22 5.081 -0.278 -13.961 1.00 0.00 H new ATOM 0 HA LYS A 22 4.179 -2.231 -11.989 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.802 -1.235 -13.894 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.779 -2.163 -15.015 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.145 -4.276 -13.765 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.104 -3.322 -12.728 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.871 -2.509 -14.805 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.849 -3.600 -15.766 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.975 -5.316 -13.780 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.392 -4.224 -13.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.608 -6.057 -15.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.457 -4.589 -16.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.867 -5.647 -16.190 1.00 0.00 H new ATOM 426 N GLY A 23 5.582 -4.254 -12.491 1.00 0.00 N ATOM 427 CA GLY A 23 6.516 -5.384 -12.751 1.00 0.00 C ATOM 428 C GLY A 23 7.937 -4.942 -12.404 1.00 0.00 C ATOM 429 O GLY A 23 8.906 -5.453 -12.931 1.00 0.00 O ATOM 0 H GLY A 23 5.016 -4.342 -11.647 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.234 -6.251 -12.153 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.460 -5.686 -13.797 1.00 0.00 H new ATOM 433 N GLY A 24 8.066 -3.988 -11.523 1.00 0.00 N ATOM 434 CA GLY A 24 9.421 -3.502 -11.140 1.00 0.00 C ATOM 435 C GLY A 24 10.285 -4.683 -10.702 1.00 0.00 C ATOM 436 O GLY A 24 9.812 -5.794 -10.563 1.00 0.00 O ATOM 0 H GLY A 24 7.290 -3.524 -11.051 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.887 -2.991 -11.983 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.343 -2.776 -10.331 1.00 0.00 H new ATOM 440 N PRO A 25 11.549 -4.439 -10.493 1.00 0.00 N ATOM 441 CA PRO A 25 12.519 -5.489 -10.069 1.00 0.00 C ATOM 442 C PRO A 25 12.084 -6.204 -8.786 1.00 0.00 C ATOM 443 O PRO A 25 12.553 -7.283 -8.482 1.00 0.00 O ATOM 444 CB PRO A 25 13.832 -4.728 -9.838 1.00 0.00 C ATOM 445 CG PRO A 25 13.478 -3.275 -9.829 1.00 0.00 C ATOM 446 CD PRO A 25 12.193 -3.130 -10.637 1.00 0.00 C ATOM 0 HA PRO A 25 12.604 -6.273 -10.821 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.291 -5.022 -8.894 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.553 -4.948 -10.626 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.336 -2.918 -8.809 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.279 -2.679 -10.266 1.00 0.00 H new ATOM 0 HD2 PRO A 25 11.564 -2.328 -10.250 1.00 0.00 H new ATOM 0 HD3 PRO A 25 12.400 -2.897 -11.682 1.00 0.00 H new ATOM 454 N HIS A 26 11.196 -5.616 -8.029 1.00 0.00 N ATOM 455 CA HIS A 26 10.747 -6.276 -6.769 1.00 0.00 C ATOM 456 C HIS A 26 11.975 -6.611 -5.918 1.00 0.00 C ATOM 457 O HIS A 26 12.165 -7.736 -5.502 1.00 0.00 O ATOM 458 CB HIS A 26 10.002 -7.570 -7.108 1.00 0.00 C ATOM 459 CG HIS A 26 8.838 -7.267 -8.001 1.00 0.00 C ATOM 460 ND1 HIS A 26 7.759 -6.505 -7.584 1.00 0.00 N ATOM 461 CD2 HIS A 26 8.562 -7.636 -9.286 1.00 0.00 C ATOM 462 CE1 HIS A 26 6.888 -6.441 -8.607 1.00 0.00 C ATOM 463 NE2 HIS A 26 7.331 -7.111 -9.666 1.00 0.00 N ATOM 0 H HIS A 26 10.765 -4.713 -8.227 1.00 0.00 H new ATOM 0 HA HIS A 26 10.084 -5.607 -6.220 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.677 -8.271 -7.600 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.655 -8.051 -6.193 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.201 -8.242 -9.911 1.00 0.00 H new ATOM 0 HE1 HIS A 26 5.947 -5.912 -8.572 1.00 0.00 H new ATOM 0 HE2 HIS A 26 6.866 -7.218 -10.568 1.00 0.00 H new ATOM 472 N LYS A 27 12.823 -5.649 -5.676 1.00 0.00 N ATOM 473 CA LYS A 27 14.049 -5.918 -4.877 1.00 0.00 C ATOM 474 C LYS A 27 13.678 -6.395 -3.474 1.00 0.00 C ATOM 475 O LYS A 27 13.612 -7.578 -3.203 1.00 0.00 O ATOM 476 CB LYS A 27 14.860 -4.627 -4.761 1.00 0.00 C ATOM 477 CG LYS A 27 15.242 -4.142 -6.155 1.00 0.00 C ATOM 478 CD LYS A 27 16.172 -2.933 -6.041 1.00 0.00 C ATOM 479 CE LYS A 27 16.456 -2.372 -7.436 1.00 0.00 C ATOM 480 NZ LYS A 27 17.642 -3.062 -8.017 1.00 0.00 N ATOM 0 H LYS A 27 12.718 -4.687 -5.998 1.00 0.00 H new ATOM 0 HA LYS A 27 14.632 -6.693 -5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.277 -3.864 -4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.757 -4.800 -4.166 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.735 -4.942 -6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.347 -3.873 -6.716 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.714 -2.167 -5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.105 -3.223 -5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.588 -2.513 -8.080 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.638 -1.299 -7.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.835 -2.681 -8.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.469 -2.905 -7.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.451 -4.082 -8.086 1.00 0.00 H new ATOM 494 N VAL A 28 13.451 -5.480 -2.576 1.00 0.00 N ATOM 495 CA VAL A 28 13.102 -5.870 -1.179 1.00 0.00 C ATOM 496 C VAL A 28 11.729 -6.536 -1.147 1.00 0.00 C ATOM 497 O VAL A 28 11.544 -7.575 -0.544 1.00 0.00 O ATOM 498 CB VAL A 28 13.066 -4.622 -0.303 1.00 0.00 C ATOM 499 CG1 VAL A 28 12.855 -5.023 1.158 1.00 0.00 C ATOM 500 CG2 VAL A 28 14.384 -3.864 -0.448 1.00 0.00 C ATOM 0 H VAL A 28 13.492 -4.475 -2.747 1.00 0.00 H new ATOM 0 HA VAL A 28 13.851 -6.569 -0.808 1.00 0.00 H new ATOM 0 HB VAL A 28 12.243 -3.980 -0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.830 -4.129 1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.911 -5.560 1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.673 -5.667 1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.361 -2.971 0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.209 -4.505 -0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.524 -3.574 -1.489 1.00 0.00 H new ATOM 510 N GLY A 29 10.761 -5.939 -1.781 1.00 0.00 N ATOM 511 CA GLY A 29 9.393 -6.530 -1.776 1.00 0.00 C ATOM 512 C GLY A 29 8.741 -6.352 -3.143 1.00 0.00 C ATOM 513 O GLY A 29 9.278 -5.703 -4.019 1.00 0.00 O ATOM 0 H GLY A 29 10.856 -5.068 -2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.447 -7.589 -1.525 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.784 -6.051 -1.009 1.00 0.00 H new ATOM 517 N PRO A 30 7.581 -6.923 -3.316 1.00 0.00 N ATOM 518 CA PRO A 30 6.824 -6.827 -4.590 1.00 0.00 C ATOM 519 C PRO A 30 6.452 -5.376 -4.895 1.00 0.00 C ATOM 520 O PRO A 30 6.386 -4.552 -4.007 1.00 0.00 O ATOM 521 CB PRO A 30 5.570 -7.677 -4.365 1.00 0.00 C ATOM 522 CG PRO A 30 5.465 -7.884 -2.888 1.00 0.00 C ATOM 523 CD PRO A 30 6.868 -7.713 -2.306 1.00 0.00 C ATOM 0 HA PRO A 30 7.408 -7.176 -5.442 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.684 -7.173 -4.751 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.647 -8.631 -4.887 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.775 -7.164 -2.447 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.075 -8.877 -2.666 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.841 -7.200 -1.345 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.351 -8.676 -2.140 1.00 0.00 H new ATOM 531 N ASN A 31 6.228 -5.049 -6.135 1.00 0.00 N ATOM 532 CA ASN A 31 5.884 -3.642 -6.477 1.00 0.00 C ATOM 533 C ASN A 31 4.378 -3.520 -6.732 1.00 0.00 C ATOM 534 O ASN A 31 3.798 -4.285 -7.476 1.00 0.00 O ATOM 535 CB ASN A 31 6.661 -3.230 -7.727 1.00 0.00 C ATOM 536 CG ASN A 31 8.113 -3.694 -7.593 1.00 0.00 C ATOM 537 OD1 ASN A 31 8.717 -4.123 -8.555 1.00 0.00 O ATOM 538 ND2 ASN A 31 8.701 -3.632 -6.429 1.00 0.00 N ATOM 0 H ASN A 31 6.268 -5.693 -6.925 1.00 0.00 H new ATOM 0 HA ASN A 31 6.151 -2.987 -5.648 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.206 -3.671 -8.614 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.623 -2.148 -7.853 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.667 -3.944 -6.328 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.194 -3.272 -5.620 1.00 0.00 H new ATOM 545 N LEU A 32 3.745 -2.561 -6.111 1.00 0.00 N ATOM 546 CA LEU A 32 2.278 -2.376 -6.297 1.00 0.00 C ATOM 547 C LEU A 32 2.001 -1.626 -7.601 1.00 0.00 C ATOM 548 O LEU A 32 2.316 -2.087 -8.678 1.00 0.00 O ATOM 549 CB LEU A 32 1.715 -1.542 -5.142 1.00 0.00 C ATOM 550 CG LEU A 32 2.005 -2.204 -3.784 1.00 0.00 C ATOM 551 CD1 LEU A 32 1.654 -3.693 -3.835 1.00 0.00 C ATOM 552 CD2 LEU A 32 3.485 -2.049 -3.423 1.00 0.00 C ATOM 0 H LEU A 32 4.186 -1.893 -5.478 1.00 0.00 H new ATOM 0 HA LEU A 32 1.808 -3.359 -6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.153 -0.544 -5.164 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.639 -1.421 -5.268 1.00 0.00 H new ATOM 0 HG LEU A 32 1.394 -1.713 -3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.864 -4.150 -2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.596 -3.810 -4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.252 -4.182 -4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.676 -2.522 -2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.098 -2.524 -4.189 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.736 -0.990 -3.363 1.00 0.00 H new ATOM 564 N HIS A 33 1.405 -0.466 -7.488 1.00 0.00 N ATOM 565 CA HIS A 33 1.079 0.361 -8.688 1.00 0.00 C ATOM 566 C HIS A 33 -0.095 -0.253 -9.456 1.00 0.00 C ATOM 567 O HIS A 33 0.087 -1.034 -10.369 1.00 0.00 O ATOM 568 CB HIS A 33 2.299 0.458 -9.610 1.00 0.00 C ATOM 569 CG HIS A 33 2.136 1.642 -10.523 1.00 0.00 C ATOM 570 ND1 HIS A 33 2.106 2.946 -10.047 1.00 0.00 N ATOM 571 CD2 HIS A 33 1.991 1.737 -11.886 1.00 0.00 C ATOM 572 CE1 HIS A 33 1.948 3.761 -11.107 1.00 0.00 C ATOM 573 NE2 HIS A 33 1.873 3.073 -12.248 1.00 0.00 N ATOM 0 H HIS A 33 1.126 -0.051 -6.599 1.00 0.00 H new ATOM 0 HA HIS A 33 0.801 1.360 -8.352 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.209 0.562 -9.019 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.401 -0.456 -10.195 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.972 0.902 -12.570 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.889 4.837 -11.042 1.00 0.00 H new ATOM 0 HE2 HIS A 33 1.754 3.449 -13.189 1.00 0.00 H new ATOM 582 N GLY A 34 -1.301 0.118 -9.110 1.00 0.00 N ATOM 583 CA GLY A 34 -2.487 -0.419 -9.839 1.00 0.00 C ATOM 584 C GLY A 34 -3.136 -1.575 -9.070 1.00 0.00 C ATOM 585 O GLY A 34 -4.079 -2.180 -9.540 1.00 0.00 O ATOM 0 H GLY A 34 -1.515 0.769 -8.355 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.217 0.377 -9.987 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.184 -0.762 -10.828 1.00 0.00 H new ATOM 589 N ILE A 35 -2.656 -1.899 -7.899 1.00 0.00 N ATOM 590 CA ILE A 35 -3.282 -3.023 -7.145 1.00 0.00 C ATOM 591 C ILE A 35 -4.549 -2.541 -6.442 1.00 0.00 C ATOM 592 O ILE A 35 -5.322 -3.329 -5.941 1.00 0.00 O ATOM 593 CB ILE A 35 -2.307 -3.577 -6.106 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.175 -2.597 -4.936 1.00 0.00 C ATOM 595 CG2 ILE A 35 -0.943 -3.779 -6.757 1.00 0.00 C ATOM 596 CD1 ILE A 35 -3.011 -3.079 -3.752 1.00 0.00 C ATOM 0 H ILE A 35 -1.870 -1.442 -7.438 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.536 -3.812 -7.853 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.682 -4.529 -5.731 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.129 -2.509 -4.641 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.504 -1.604 -5.244 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.243 -4.174 -6.021 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.035 -4.483 -7.584 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.574 -2.825 -7.132 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.911 -2.376 -2.925 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.058 -3.144 -4.048 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.662 -4.062 -3.436 1.00 0.00 H new ATOM 608 N PHE A 36 -4.772 -1.257 -6.398 1.00 0.00 N ATOM 609 CA PHE A 36 -5.996 -0.745 -5.719 1.00 0.00 C ATOM 610 C PHE A 36 -7.227 -1.473 -6.267 1.00 0.00 C ATOM 611 O PHE A 36 -8.221 -1.616 -5.586 1.00 0.00 O ATOM 612 CB PHE A 36 -6.136 0.759 -5.972 1.00 0.00 C ATOM 613 CG PHE A 36 -5.326 1.535 -4.955 1.00 0.00 C ATOM 614 CD1 PHE A 36 -3.932 1.402 -4.912 1.00 0.00 C ATOM 615 CD2 PHE A 36 -5.973 2.399 -4.060 1.00 0.00 C ATOM 616 CE1 PHE A 36 -3.189 2.133 -3.975 1.00 0.00 C ATOM 617 CE2 PHE A 36 -5.230 3.128 -3.125 1.00 0.00 C ATOM 618 CZ PHE A 36 -3.839 2.996 -3.083 1.00 0.00 C ATOM 0 H PHE A 36 -4.164 -0.543 -6.800 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.915 -0.924 -4.647 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.796 0.999 -6.979 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.185 1.050 -5.912 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.431 0.737 -5.600 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.048 2.502 -4.092 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.114 2.031 -3.941 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.731 3.792 -2.436 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.265 3.560 -2.362 1.00 0.00 H new ATOM 628 N GLY A 37 -7.170 -1.928 -7.491 1.00 0.00 N ATOM 629 CA GLY A 37 -8.343 -2.642 -8.082 1.00 0.00 C ATOM 630 C GLY A 37 -8.017 -4.129 -8.270 1.00 0.00 C ATOM 631 O GLY A 37 -8.524 -4.770 -9.170 1.00 0.00 O ATOM 0 H GLY A 37 -6.363 -1.837 -8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.211 -2.532 -7.432 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.605 -2.195 -9.041 1.00 0.00 H new ATOM 635 N ARG A 38 -7.178 -4.682 -7.435 1.00 0.00 N ATOM 636 CA ARG A 38 -6.825 -6.128 -7.576 1.00 0.00 C ATOM 637 C ARG A 38 -6.923 -6.831 -6.223 1.00 0.00 C ATOM 638 O ARG A 38 -7.086 -6.209 -5.192 1.00 0.00 O ATOM 639 CB ARG A 38 -5.395 -6.269 -8.101 1.00 0.00 C ATOM 640 CG ARG A 38 -5.306 -5.762 -9.543 1.00 0.00 C ATOM 641 CD ARG A 38 -5.872 -6.816 -10.502 1.00 0.00 C ATOM 642 NE ARG A 38 -5.534 -6.439 -11.903 1.00 0.00 N ATOM 643 CZ ARG A 38 -4.299 -6.514 -12.319 1.00 0.00 C ATOM 644 NH1 ARG A 38 -3.361 -6.920 -11.508 1.00 0.00 N ATOM 645 NH2 ARG A 38 -4.003 -6.184 -13.546 1.00 0.00 N ATOM 0 H ARG A 38 -6.722 -4.197 -6.662 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.524 -6.585 -8.277 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.710 -5.705 -7.467 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.085 -7.313 -8.056 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.861 -4.829 -9.645 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.269 -5.545 -9.798 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.459 -7.797 -10.267 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.953 -6.889 -10.384 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.267 -6.122 -12.537 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.593 -7.179 -10.549 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.396 -6.979 -11.833 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.737 -5.867 -14.180 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.038 -6.243 -13.871 1.00 0.00 H new ATOM 659 N HIS A 39 -6.819 -8.132 -6.229 1.00 0.00 N ATOM 660 CA HIS A 39 -6.896 -8.898 -4.957 1.00 0.00 C ATOM 661 C HIS A 39 -5.504 -9.030 -4.356 1.00 0.00 C ATOM 662 O HIS A 39 -4.509 -9.016 -5.053 1.00 0.00 O ATOM 663 CB HIS A 39 -7.458 -10.291 -5.229 1.00 0.00 C ATOM 664 CG HIS A 39 -8.959 -10.226 -5.281 1.00 0.00 C ATOM 665 ND1 HIS A 39 -9.625 -9.399 -6.168 1.00 0.00 N ATOM 666 CD2 HIS A 39 -9.937 -10.889 -4.579 1.00 0.00 C ATOM 667 CE1 HIS A 39 -10.944 -9.585 -5.988 1.00 0.00 C ATOM 668 NE2 HIS A 39 -11.187 -10.481 -5.031 1.00 0.00 N ATOM 0 H HIS A 39 -6.683 -8.699 -7.066 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.548 -8.370 -4.261 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.067 -10.674 -6.172 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.140 -10.982 -4.448 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.762 -11.614 -3.798 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.712 -9.072 -6.549 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.098 -10.800 -4.700 1.00 0.00 H new ATOM 677 N SER A 40 -5.426 -9.155 -3.064 1.00 0.00 N ATOM 678 CA SER A 40 -4.100 -9.285 -2.415 1.00 0.00 C ATOM 679 C SER A 40 -3.404 -10.541 -2.923 1.00 0.00 C ATOM 680 O SER A 40 -3.973 -11.615 -2.943 1.00 0.00 O ATOM 681 CB SER A 40 -4.280 -9.388 -0.902 1.00 0.00 C ATOM 682 OG SER A 40 -3.305 -8.580 -0.256 1.00 0.00 O ATOM 0 H SER A 40 -6.225 -9.173 -2.430 1.00 0.00 H new ATOM 0 HA SER A 40 -3.495 -8.410 -2.654 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.282 -9.064 -0.621 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.179 -10.425 -0.582 1.00 0.00 H new ATOM 0 HG SER A 40 -2.607 -8.333 -0.898 1.00 0.00 H new ATOM 688 N GLY A 41 -2.170 -10.417 -3.313 1.00 0.00 N ATOM 689 CA GLY A 41 -1.419 -11.604 -3.799 1.00 0.00 C ATOM 690 C GLY A 41 -1.280 -11.584 -5.321 1.00 0.00 C ATOM 691 O GLY A 41 -0.687 -12.472 -5.900 1.00 0.00 O ATOM 0 H GLY A 41 -1.647 -9.542 -3.316 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.430 -11.625 -3.341 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.933 -12.514 -3.490 1.00 0.00 H new ATOM 695 N GLN A 42 -1.817 -10.594 -5.981 1.00 0.00 N ATOM 696 CA GLN A 42 -1.698 -10.556 -7.466 1.00 0.00 C ATOM 697 C GLN A 42 -0.607 -9.568 -7.885 1.00 0.00 C ATOM 698 O GLN A 42 -0.687 -8.384 -7.625 1.00 0.00 O ATOM 699 CB GLN A 42 -3.040 -10.143 -8.062 1.00 0.00 C ATOM 700 CG GLN A 42 -4.080 -11.190 -7.668 1.00 0.00 C ATOM 701 CD GLN A 42 -5.413 -10.879 -8.351 1.00 0.00 C ATOM 702 OE1 GLN A 42 -6.369 -11.615 -8.207 1.00 0.00 O ATOM 703 NE2 GLN A 42 -5.518 -9.812 -9.094 1.00 0.00 N ATOM 0 H GLN A 42 -2.328 -9.817 -5.561 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.424 -11.545 -7.834 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.333 -9.160 -7.694 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.967 -10.069 -9.147 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.736 -12.184 -7.956 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.209 -11.199 -6.586 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.716 -9.194 -9.215 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.402 -9.596 -9.554 1.00 0.00 H new ATOM 712 N ALA A 43 0.411 -10.057 -8.542 1.00 0.00 N ATOM 713 CA ALA A 43 1.519 -9.170 -8.995 1.00 0.00 C ATOM 714 C ALA A 43 1.985 -9.619 -10.382 1.00 0.00 C ATOM 715 O ALA A 43 1.675 -10.706 -10.827 1.00 0.00 O ATOM 716 CB ALA A 43 2.687 -9.256 -8.010 1.00 0.00 C ATOM 0 H ALA A 43 0.522 -11.041 -8.786 1.00 0.00 H new ATOM 0 HA ALA A 43 1.166 -8.140 -9.040 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.495 -8.606 -8.346 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.353 -8.940 -7.022 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.046 -10.284 -7.960 1.00 0.00 H new ATOM 722 N GLU A 44 2.718 -8.791 -11.075 1.00 0.00 N ATOM 723 CA GLU A 44 3.189 -9.176 -12.436 1.00 0.00 C ATOM 724 C GLU A 44 4.634 -9.678 -12.373 1.00 0.00 C ATOM 725 O GLU A 44 4.954 -10.737 -12.874 1.00 0.00 O ATOM 726 CB GLU A 44 3.114 -7.962 -13.364 1.00 0.00 C ATOM 727 CG GLU A 44 3.496 -8.382 -14.785 1.00 0.00 C ATOM 728 CD GLU A 44 3.518 -7.153 -15.694 1.00 0.00 C ATOM 729 OE1 GLU A 44 3.264 -6.068 -15.198 1.00 0.00 O ATOM 730 OE2 GLU A 44 3.790 -7.316 -16.873 1.00 0.00 O ATOM 0 H GLU A 44 3.011 -7.867 -10.759 1.00 0.00 H new ATOM 0 HA GLU A 44 2.552 -9.973 -12.819 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.107 -7.545 -13.355 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.786 -7.179 -13.012 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.474 -8.863 -14.782 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.782 -9.114 -15.163 1.00 0.00 H new ATOM 737 N GLY A 45 5.512 -8.922 -11.773 1.00 0.00 N ATOM 738 CA GLY A 45 6.936 -9.356 -11.695 1.00 0.00 C ATOM 739 C GLY A 45 7.105 -10.407 -10.599 1.00 0.00 C ATOM 740 O GLY A 45 7.362 -11.562 -10.875 1.00 0.00 O ATOM 0 H GLY A 45 5.306 -8.025 -11.334 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.253 -9.765 -12.654 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.575 -8.498 -11.488 1.00 0.00 H new ATOM 744 N TYR A 46 6.973 -10.018 -9.357 1.00 0.00 N ATOM 745 CA TYR A 46 7.139 -11.001 -8.248 1.00 0.00 C ATOM 746 C TYR A 46 5.820 -11.241 -7.534 1.00 0.00 C ATOM 747 O TYR A 46 5.188 -10.328 -7.041 1.00 0.00 O ATOM 748 CB TYR A 46 8.162 -10.481 -7.236 1.00 0.00 C ATOM 749 CG TYR A 46 8.042 -11.282 -5.961 1.00 0.00 C ATOM 750 CD1 TYR A 46 8.144 -12.678 -5.998 1.00 0.00 C ATOM 751 CD2 TYR A 46 7.817 -10.629 -4.744 1.00 0.00 C ATOM 752 CE1 TYR A 46 8.021 -13.420 -4.817 1.00 0.00 C ATOM 753 CE2 TYR A 46 7.695 -11.372 -3.563 1.00 0.00 C ATOM 754 CZ TYR A 46 7.796 -12.767 -3.600 1.00 0.00 C ATOM 755 OH TYR A 46 7.674 -13.499 -2.436 1.00 0.00 O ATOM 0 H TYR A 46 6.758 -9.065 -9.065 1.00 0.00 H new ATOM 0 HA TYR A 46 7.486 -11.939 -8.681 1.00 0.00 H new ATOM 0 HB2 TYR A 46 9.170 -10.567 -7.641 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.989 -9.424 -7.034 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.317 -13.182 -6.937 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.737 -9.552 -4.715 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.100 -14.497 -4.845 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.523 -10.868 -2.623 1.00 0.00 H new ATOM 0 HH TYR A 46 7.522 -12.892 -1.682 1.00 0.00 H new ATOM 765 N SER A 47 5.418 -12.477 -7.446 1.00 0.00 N ATOM 766 CA SER A 47 4.160 -12.787 -6.733 1.00 0.00 C ATOM 767 C SER A 47 4.420 -12.609 -5.241 1.00 0.00 C ATOM 768 O SER A 47 5.526 -12.782 -4.771 1.00 0.00 O ATOM 769 CB SER A 47 3.745 -14.231 -7.020 1.00 0.00 C ATOM 770 OG SER A 47 4.565 -15.114 -6.267 1.00 0.00 O ATOM 0 H SER A 47 5.908 -13.281 -7.838 1.00 0.00 H new ATOM 0 HA SER A 47 3.358 -12.127 -7.063 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.697 -14.379 -6.760 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.842 -14.445 -8.084 1.00 0.00 H new ATOM 0 HG SER A 47 4.300 -16.040 -6.447 1.00 0.00 H new ATOM 776 N TYR A 48 3.424 -12.253 -4.498 1.00 0.00 N ATOM 777 CA TYR A 48 3.623 -12.049 -3.038 1.00 0.00 C ATOM 778 C TYR A 48 4.041 -13.358 -2.367 1.00 0.00 C ATOM 779 O TYR A 48 4.077 -14.404 -2.985 1.00 0.00 O ATOM 780 CB TYR A 48 2.321 -11.552 -2.430 1.00 0.00 C ATOM 781 CG TYR A 48 1.993 -10.202 -3.022 1.00 0.00 C ATOM 782 CD1 TYR A 48 1.399 -10.115 -4.287 1.00 0.00 C ATOM 783 CD2 TYR A 48 2.290 -9.036 -2.307 1.00 0.00 C ATOM 784 CE1 TYR A 48 1.105 -8.863 -4.836 1.00 0.00 C ATOM 785 CE2 TYR A 48 1.994 -7.784 -2.856 1.00 0.00 C ATOM 786 CZ TYR A 48 1.402 -7.697 -4.121 1.00 0.00 C ATOM 787 OH TYR A 48 1.110 -6.462 -4.664 1.00 0.00 O ATOM 0 H TYR A 48 2.474 -12.092 -4.834 1.00 0.00 H new ATOM 0 HA TYR A 48 4.413 -11.315 -2.881 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.516 -12.259 -2.632 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.415 -11.477 -1.347 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.168 -11.014 -4.838 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.748 -9.103 -1.331 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.648 -8.796 -5.812 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.222 -6.884 -2.304 1.00 0.00 H new ATOM 0 HH TYR A 48 0.315 -6.092 -4.227 1.00 0.00 H new ATOM 797 N THR A 49 4.360 -13.303 -1.102 1.00 0.00 N ATOM 798 CA THR A 49 4.780 -14.535 -0.376 1.00 0.00 C ATOM 799 C THR A 49 3.644 -15.560 -0.411 1.00 0.00 C ATOM 800 O THR A 49 2.480 -15.212 -0.412 1.00 0.00 O ATOM 801 CB THR A 49 5.106 -14.185 1.077 1.00 0.00 C ATOM 802 OG1 THR A 49 6.064 -13.137 1.105 1.00 0.00 O ATOM 803 CG2 THR A 49 5.672 -15.416 1.786 1.00 0.00 C ATOM 0 H THR A 49 4.347 -12.453 -0.538 1.00 0.00 H new ATOM 0 HA THR A 49 5.664 -14.955 -0.855 1.00 0.00 H new ATOM 0 HB THR A 49 4.198 -13.862 1.586 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.897 -13.445 0.691 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.904 -15.165 2.821 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.936 -16.219 1.763 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.580 -15.742 1.279 1.00 0.00 H new ATOM 811 N ASP A 50 3.974 -16.822 -0.450 1.00 0.00 N ATOM 812 CA ASP A 50 2.920 -17.870 -0.497 1.00 0.00 C ATOM 813 C ASP A 50 1.885 -17.620 0.603 1.00 0.00 C ATOM 814 O ASP A 50 0.704 -17.823 0.407 1.00 0.00 O ATOM 815 CB ASP A 50 3.568 -19.238 -0.287 1.00 0.00 C ATOM 816 CG ASP A 50 4.440 -19.583 -1.495 1.00 0.00 C ATOM 817 OD1 ASP A 50 4.338 -18.886 -2.492 1.00 0.00 O ATOM 818 OD2 ASP A 50 5.195 -20.536 -1.404 1.00 0.00 O ATOM 0 H ASP A 50 4.932 -17.172 -0.451 1.00 0.00 H new ATOM 0 HA ASP A 50 2.421 -17.840 -1.466 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.172 -19.230 0.620 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.799 -19.999 -0.151 1.00 0.00 H new ATOM 823 N ALA A 51 2.310 -17.181 1.756 1.00 0.00 N ATOM 824 CA ALA A 51 1.331 -16.924 2.850 1.00 0.00 C ATOM 825 C ALA A 51 0.362 -15.826 2.408 1.00 0.00 C ATOM 826 O ALA A 51 -0.842 -15.989 2.452 1.00 0.00 O ATOM 827 CB ALA A 51 2.075 -16.474 4.109 1.00 0.00 C ATOM 0 H ALA A 51 3.285 -16.990 1.987 1.00 0.00 H new ATOM 0 HA ALA A 51 0.777 -17.837 3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.358 -16.286 4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.769 -17.255 4.420 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.629 -15.560 3.897 1.00 0.00 H new ATOM 833 N ASN A 52 0.880 -14.715 1.968 1.00 0.00 N ATOM 834 CA ASN A 52 -0.004 -13.608 1.506 1.00 0.00 C ATOM 835 C ASN A 52 -0.845 -14.087 0.323 1.00 0.00 C ATOM 836 O ASN A 52 -2.024 -13.811 0.231 1.00 0.00 O ATOM 837 CB ASN A 52 0.854 -12.423 1.064 1.00 0.00 C ATOM 838 CG ASN A 52 -0.050 -11.321 0.513 1.00 0.00 C ATOM 839 OD1 ASN A 52 -1.258 -11.405 0.611 1.00 0.00 O ATOM 840 ND2 ASN A 52 0.485 -10.285 -0.070 1.00 0.00 N ATOM 0 H ASN A 52 1.880 -14.524 1.908 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.659 -13.304 2.322 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.434 -12.046 1.906 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.566 -12.739 0.302 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.111 -9.546 -0.443 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.499 -10.214 -0.153 1.00 0.00 H new ATOM 847 N ILE A 53 -0.241 -14.799 -0.586 1.00 0.00 N ATOM 848 CA ILE A 53 -0.995 -15.295 -1.770 1.00 0.00 C ATOM 849 C ILE A 53 -2.125 -16.218 -1.314 1.00 0.00 C ATOM 850 O ILE A 53 -3.200 -16.219 -1.879 1.00 0.00 O ATOM 851 CB ILE A 53 -0.047 -16.048 -2.696 1.00 0.00 C ATOM 852 CG1 ILE A 53 1.027 -15.083 -3.205 1.00 0.00 C ATOM 853 CG2 ILE A 53 -0.830 -16.616 -3.881 1.00 0.00 C ATOM 854 CD1 ILE A 53 2.098 -15.865 -3.967 1.00 0.00 C ATOM 0 H ILE A 53 0.745 -15.059 -0.560 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.425 -14.450 -2.307 1.00 0.00 H new ATOM 0 HB ILE A 53 0.423 -16.867 -2.152 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.578 -14.333 -3.856 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.478 -14.550 -2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.150 -17.154 -4.542 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.598 -17.299 -3.516 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.301 -15.801 -4.430 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.862 -15.177 -4.329 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.555 -16.598 -3.302 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.641 -16.378 -4.813 1.00 0.00 H new ATOM 866 N LYS A 54 -1.901 -16.996 -0.290 1.00 0.00 N ATOM 867 CA LYS A 54 -2.982 -17.899 0.192 1.00 0.00 C ATOM 868 C LYS A 54 -4.212 -17.052 0.510 1.00 0.00 C ATOM 869 O LYS A 54 -5.327 -17.400 0.177 1.00 0.00 O ATOM 870 CB LYS A 54 -2.521 -18.625 1.453 1.00 0.00 C ATOM 871 CG LYS A 54 -3.619 -19.583 1.914 1.00 0.00 C ATOM 872 CD LYS A 54 -3.185 -20.275 3.209 1.00 0.00 C ATOM 873 CE LYS A 54 -4.221 -21.331 3.600 1.00 0.00 C ATOM 874 NZ LYS A 54 -5.035 -20.829 4.743 1.00 0.00 N ATOM 0 H LYS A 54 -1.024 -17.045 0.229 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.222 -18.637 -0.573 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.602 -19.176 1.254 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.297 -17.905 2.240 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.548 -19.037 2.075 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.816 -20.326 1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.209 -20.741 3.074 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.080 -19.541 4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.866 -21.555 2.751 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.723 -22.261 3.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.739 -21.546 5.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.413 -20.637 5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.521 -19.953 4.464 1.00 0.00 H new ATOM 888 N LYS A 55 -4.008 -15.930 1.139 1.00 0.00 N ATOM 889 CA LYS A 55 -5.144 -15.035 1.469 1.00 0.00 C ATOM 890 C LYS A 55 -5.243 -13.952 0.393 1.00 0.00 C ATOM 891 O LYS A 55 -4.270 -13.297 0.074 1.00 0.00 O ATOM 892 CB LYS A 55 -4.886 -14.389 2.829 1.00 0.00 C ATOM 893 CG LYS A 55 -4.921 -15.462 3.920 1.00 0.00 C ATOM 894 CD LYS A 55 -4.774 -14.801 5.292 1.00 0.00 C ATOM 895 CE LYS A 55 -4.692 -15.881 6.372 1.00 0.00 C ATOM 896 NZ LYS A 55 -5.964 -15.905 7.149 1.00 0.00 N ATOM 0 H LYS A 55 -3.093 -15.594 1.440 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.076 -15.600 1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.918 -13.888 2.828 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.639 -13.627 3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.859 -16.016 3.870 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.117 -16.181 3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.878 -14.180 5.314 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.622 -14.144 5.484 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.514 -16.854 5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.851 -15.683 7.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.908 -16.639 7.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.115 -14.978 7.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.757 -16.114 6.510 1.00 0.00 H new ATOM 910 N ASN A 56 -6.402 -13.761 -0.175 1.00 0.00 N ATOM 911 CA ASN A 56 -6.548 -12.724 -1.237 1.00 0.00 C ATOM 912 C ASN A 56 -7.811 -11.897 -0.993 1.00 0.00 C ATOM 913 O ASN A 56 -8.891 -12.427 -0.826 1.00 0.00 O ATOM 914 CB ASN A 56 -6.640 -13.404 -2.604 1.00 0.00 C ATOM 915 CG ASN A 56 -7.165 -14.832 -2.439 1.00 0.00 C ATOM 916 OD1 ASN A 56 -7.801 -15.151 -1.454 1.00 0.00 O ATOM 917 ND2 ASN A 56 -6.924 -15.712 -3.372 1.00 0.00 N ATOM 0 H ASN A 56 -7.253 -14.277 0.049 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.680 -12.065 -1.213 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.302 -12.837 -3.259 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.659 -13.420 -3.079 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.269 -16.667 -3.274 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.390 -15.445 -4.199 1.00 0.00 H new ATOM 924 N VAL A 57 -7.679 -10.598 -0.971 1.00 0.00 N ATOM 925 CA VAL A 57 -8.863 -9.727 -0.738 1.00 0.00 C ATOM 926 C VAL A 57 -8.876 -8.581 -1.749 1.00 0.00 C ATOM 927 O VAL A 57 -7.860 -7.977 -2.028 1.00 0.00 O ATOM 928 CB VAL A 57 -8.798 -9.154 0.677 1.00 0.00 C ATOM 929 CG1 VAL A 57 -10.018 -8.268 0.934 1.00 0.00 C ATOM 930 CG2 VAL A 57 -8.779 -10.299 1.692 1.00 0.00 C ATOM 0 H VAL A 57 -6.798 -10.102 -1.105 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.771 -10.318 -0.856 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.891 -8.558 0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.967 -7.862 1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.031 -7.449 0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.927 -8.860 0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.733 -9.890 2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.684 -10.896 1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.906 -10.928 1.515 1.00 0.00 H new ATOM 940 N LEU A 58 -10.023 -8.263 -2.287 1.00 0.00 N ATOM 941 CA LEU A 58 -10.092 -7.141 -3.262 1.00 0.00 C ATOM 942 C LEU A 58 -9.522 -5.893 -2.605 1.00 0.00 C ATOM 943 O LEU A 58 -9.692 -5.670 -1.423 1.00 0.00 O ATOM 944 CB LEU A 58 -11.543 -6.885 -3.661 1.00 0.00 C ATOM 945 CG LEU A 58 -11.614 -5.680 -4.607 1.00 0.00 C ATOM 946 CD1 LEU A 58 -10.857 -5.990 -5.900 1.00 0.00 C ATOM 947 CD2 LEU A 58 -13.078 -5.388 -4.938 1.00 0.00 C ATOM 0 H LEU A 58 -10.909 -8.730 -2.094 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.520 -7.394 -4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.957 -7.767 -4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.147 -6.699 -2.773 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.162 -4.814 -4.124 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.911 -5.130 -6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -9.814 -6.205 -5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.306 -6.856 -6.386 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.135 -4.532 -5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.523 -6.259 -5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.621 -5.165 -4.020 1.00 0.00 H new ATOM 959 N TRP A 59 -8.842 -5.081 -3.358 1.00 0.00 N ATOM 960 CA TRP A 59 -8.257 -3.855 -2.773 1.00 0.00 C ATOM 961 C TRP A 59 -9.138 -2.646 -3.085 1.00 0.00 C ATOM 962 O TRP A 59 -9.734 -2.547 -4.139 1.00 0.00 O ATOM 963 CB TRP A 59 -6.859 -3.644 -3.348 1.00 0.00 C ATOM 964 CG TRP A 59 -5.883 -4.493 -2.601 1.00 0.00 C ATOM 965 CD1 TRP A 59 -5.099 -5.450 -3.150 1.00 0.00 C ATOM 966 CD2 TRP A 59 -5.583 -4.487 -1.176 1.00 0.00 C ATOM 967 NE1 TRP A 59 -4.320 -6.011 -2.156 1.00 0.00 N ATOM 968 CE2 TRP A 59 -4.586 -5.456 -0.923 1.00 0.00 C ATOM 969 CE3 TRP A 59 -6.069 -3.737 -0.089 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -4.089 -5.675 0.359 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -5.572 -3.957 1.205 1.00 0.00 C ATOM 972 CH2 TRP A 59 -4.582 -4.925 1.427 1.00 0.00 C ATOM 0 H TRP A 59 -8.667 -5.216 -4.354 1.00 0.00 H new ATOM 0 HA TRP A 59 -8.195 -3.966 -1.690 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.846 -3.902 -4.407 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.577 -2.594 -3.272 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.085 -5.729 -4.193 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.632 -6.747 -2.316 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -6.829 -2.987 -0.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -3.326 -6.421 0.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.954 -3.378 2.033 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.201 -5.090 2.424 1.00 0.00 H new ATOM 983 N ASP A 60 -9.220 -1.727 -2.165 1.00 0.00 N ATOM 984 CA ASP A 60 -10.050 -0.512 -2.378 1.00 0.00 C ATOM 985 C ASP A 60 -9.452 0.623 -1.549 1.00 0.00 C ATOM 986 O ASP A 60 -8.699 0.390 -0.624 1.00 0.00 O ATOM 987 CB ASP A 60 -11.485 -0.784 -1.921 1.00 0.00 C ATOM 988 CG ASP A 60 -12.398 0.346 -2.400 1.00 0.00 C ATOM 989 OD1 ASP A 60 -11.946 1.146 -3.202 1.00 0.00 O ATOM 990 OD2 ASP A 60 -13.534 0.390 -1.959 1.00 0.00 O ATOM 0 H ASP A 60 -8.742 -1.767 -1.265 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.063 -0.242 -3.434 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.830 -1.738 -2.320 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.523 -0.860 -0.834 1.00 0.00 H new ATOM 995 N GLU A 61 -9.766 1.847 -1.862 1.00 0.00 N ATOM 996 CA GLU A 61 -9.189 2.966 -1.070 1.00 0.00 C ATOM 997 C GLU A 61 -9.554 2.773 0.400 1.00 0.00 C ATOM 998 O GLU A 61 -8.755 3.006 1.285 1.00 0.00 O ATOM 999 CB GLU A 61 -9.756 4.294 -1.571 1.00 0.00 C ATOM 1000 CG GLU A 61 -9.309 4.523 -3.016 1.00 0.00 C ATOM 1001 CD GLU A 61 -10.205 3.728 -3.969 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -11.276 3.323 -3.549 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -9.804 3.537 -5.106 1.00 0.00 O ATOM 0 H GLU A 61 -10.389 2.119 -2.622 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.105 2.977 -1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.844 4.283 -1.513 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.411 5.112 -0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.358 5.585 -3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.270 4.216 -3.138 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.752 2.335 0.667 1.00 0.00 N ATOM 1011 CA ASN A 62 -11.163 2.111 2.079 1.00 0.00 C ATOM 1012 C ASN A 62 -10.443 0.876 2.630 1.00 0.00 C ATOM 1013 O ASN A 62 -9.933 0.883 3.732 1.00 0.00 O ATOM 1014 CB ASN A 62 -12.676 1.890 2.141 1.00 0.00 C ATOM 1015 CG ASN A 62 -13.148 1.984 3.593 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -13.042 3.023 4.213 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -13.670 0.933 4.166 1.00 0.00 N ATOM 0 H ASN A 62 -11.464 2.123 -0.032 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.899 2.983 2.677 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.188 2.635 1.532 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.928 0.913 1.728 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -13.988 0.985 5.134 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.759 0.060 3.646 1.00 0.00 H new ATOM 1024 N ASN A 63 -10.405 -0.187 1.870 1.00 0.00 N ATOM 1025 CA ASN A 63 -9.725 -1.425 2.348 1.00 0.00 C ATOM 1026 C ASN A 63 -8.230 -1.163 2.532 1.00 0.00 C ATOM 1027 O ASN A 63 -7.631 -1.579 3.504 1.00 0.00 O ATOM 1028 CB ASN A 63 -9.923 -2.542 1.321 1.00 0.00 C ATOM 1029 CG ASN A 63 -9.503 -3.880 1.933 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -9.355 -3.993 3.133 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -9.304 -4.907 1.152 1.00 0.00 N ATOM 0 H ASN A 63 -10.816 -0.250 0.939 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.156 -1.723 3.304 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.967 -2.584 1.011 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.333 -2.338 0.428 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.024 -5.804 1.550 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.428 -4.813 0.144 1.00 0.00 H new ATOM 1038 N MET A 64 -7.620 -0.480 1.603 1.00 0.00 N ATOM 1039 CA MET A 64 -6.166 -0.196 1.722 1.00 0.00 C ATOM 1040 C MET A 64 -5.897 0.655 2.963 1.00 0.00 C ATOM 1041 O MET A 64 -4.878 0.516 3.609 1.00 0.00 O ATOM 1042 CB MET A 64 -5.682 0.537 0.468 1.00 0.00 C ATOM 1043 CG MET A 64 -5.662 -0.430 -0.717 1.00 0.00 C ATOM 1044 SD MET A 64 -4.648 0.263 -2.045 1.00 0.00 S ATOM 1045 CE MET A 64 -3.033 -0.174 -1.346 1.00 0.00 C ATOM 0 H MET A 64 -8.068 -0.107 0.766 1.00 0.00 H new ATOM 0 HA MET A 64 -5.624 -1.137 1.819 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.338 1.380 0.251 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.685 0.944 0.635 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.262 -1.395 -0.406 1.00 0.00 H new ATOM 0 HG3 MET A 64 -6.677 -0.606 -1.074 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.285 -0.185 -2.138 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.752 0.561 -0.592 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.090 -1.161 -0.887 1.00 0.00 H new ATOM 1055 N SER A 65 -6.795 1.536 3.306 1.00 0.00 N ATOM 1056 CA SER A 65 -6.567 2.385 4.508 1.00 0.00 C ATOM 1057 C SER A 65 -6.355 1.487 5.728 1.00 0.00 C ATOM 1058 O SER A 65 -5.483 1.723 6.542 1.00 0.00 O ATOM 1059 CB SER A 65 -7.784 3.281 4.739 1.00 0.00 C ATOM 1060 OG SER A 65 -8.053 4.022 3.556 1.00 0.00 O ATOM 0 H SER A 65 -7.670 1.704 2.810 1.00 0.00 H new ATOM 0 HA SER A 65 -5.685 3.007 4.354 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.650 2.676 5.008 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.598 3.959 5.572 1.00 0.00 H new ATOM 0 HG SER A 65 -8.630 3.495 2.964 1.00 0.00 H new ATOM 1066 N GLU A 66 -7.141 0.453 5.861 1.00 0.00 N ATOM 1067 CA GLU A 66 -6.977 -0.458 7.027 1.00 0.00 C ATOM 1068 C GLU A 66 -5.631 -1.179 6.925 1.00 0.00 C ATOM 1069 O GLU A 66 -4.949 -1.383 7.910 1.00 0.00 O ATOM 1070 CB GLU A 66 -8.107 -1.487 7.022 1.00 0.00 C ATOM 1071 CG GLU A 66 -9.446 -0.771 7.206 1.00 0.00 C ATOM 1072 CD GLU A 66 -9.485 -0.097 8.579 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -8.676 -0.459 9.418 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -10.322 0.770 8.768 1.00 0.00 O ATOM 0 H GLU A 66 -7.888 0.201 5.213 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.010 0.119 7.951 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -8.105 -2.042 6.084 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.957 -2.212 7.822 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.583 -0.027 6.421 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.266 -1.484 7.116 1.00 0.00 H new ATOM 1081 N TYR A 67 -5.244 -1.565 5.739 1.00 0.00 N ATOM 1082 CA TYR A 67 -3.942 -2.272 5.574 1.00 0.00 C ATOM 1083 C TYR A 67 -2.791 -1.350 5.971 1.00 0.00 C ATOM 1084 O TYR A 67 -1.864 -1.754 6.643 1.00 0.00 O ATOM 1085 CB TYR A 67 -3.767 -2.688 4.115 1.00 0.00 C ATOM 1086 CG TYR A 67 -2.425 -3.362 3.950 1.00 0.00 C ATOM 1087 CD1 TYR A 67 -2.293 -4.742 4.159 1.00 0.00 C ATOM 1088 CD2 TYR A 67 -1.306 -2.599 3.594 1.00 0.00 C ATOM 1089 CE1 TYR A 67 -1.042 -5.354 4.011 1.00 0.00 C ATOM 1090 CE2 TYR A 67 -0.057 -3.212 3.446 1.00 0.00 C ATOM 1091 CZ TYR A 67 0.075 -4.588 3.655 1.00 0.00 C ATOM 1092 OH TYR A 67 1.307 -5.192 3.508 1.00 0.00 O ATOM 0 H TYR A 67 -5.773 -1.421 4.879 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.936 -3.154 6.214 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.567 -3.366 3.819 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.832 -1.815 3.465 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.155 -5.332 4.434 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.407 -1.536 3.433 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.939 -6.417 4.171 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.805 -2.622 3.170 1.00 0.00 H new ATOM 0 HH TYR A 67 1.650 -5.454 4.388 1.00 0.00 H new ATOM 1102 N LEU A 68 -2.834 -0.116 5.556 1.00 0.00 N ATOM 1103 CA LEU A 68 -1.730 0.817 5.908 1.00 0.00 C ATOM 1104 C LEU A 68 -1.510 0.806 7.416 1.00 0.00 C ATOM 1105 O LEU A 68 -0.391 0.787 7.890 1.00 0.00 O ATOM 1106 CB LEU A 68 -2.089 2.229 5.455 1.00 0.00 C ATOM 1107 CG LEU A 68 -1.397 2.527 4.127 1.00 0.00 C ATOM 1108 CD1 LEU A 68 0.119 2.555 4.333 1.00 0.00 C ATOM 1109 CD2 LEU A 68 -1.749 1.439 3.109 1.00 0.00 C ATOM 0 H LEU A 68 -3.582 0.285 4.991 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.816 0.498 5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.169 2.324 5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.781 2.954 6.209 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.733 3.496 3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.611 2.768 3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.374 3.330 5.056 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.453 1.587 4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.254 1.653 2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.416 0.470 3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.828 1.418 2.958 1.00 0.00 H new ATOM 1121 N THR A 69 -2.564 0.807 8.176 1.00 0.00 N ATOM 1122 CA THR A 69 -2.404 0.784 9.650 1.00 0.00 C ATOM 1123 C THR A 69 -1.464 -0.365 10.016 1.00 0.00 C ATOM 1124 O THR A 69 -0.620 -0.244 10.882 1.00 0.00 O ATOM 1125 CB THR A 69 -3.770 0.563 10.297 1.00 0.00 C ATOM 1126 OG1 THR A 69 -4.691 1.521 9.794 1.00 0.00 O ATOM 1127 CG2 THR A 69 -3.644 0.722 11.807 1.00 0.00 C ATOM 0 H THR A 69 -3.527 0.823 7.841 1.00 0.00 H new ATOM 0 HA THR A 69 -1.989 1.727 10.005 1.00 0.00 H new ATOM 0 HB THR A 69 -4.127 -0.440 10.065 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.568 1.379 10.207 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.617 0.565 12.272 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.935 -0.011 12.192 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.289 1.726 12.039 1.00 0.00 H new ATOM 1135 N ASN A 70 -1.601 -1.476 9.348 1.00 0.00 N ATOM 1136 CA ASN A 70 -0.717 -2.640 9.630 1.00 0.00 C ATOM 1137 C ASN A 70 -0.331 -3.302 8.309 1.00 0.00 C ATOM 1138 O ASN A 70 -1.177 -3.750 7.561 1.00 0.00 O ATOM 1139 CB ASN A 70 -1.458 -3.650 10.502 1.00 0.00 C ATOM 1140 CG ASN A 70 -0.455 -4.629 11.116 1.00 0.00 C ATOM 1141 OD1 ASN A 70 0.736 -4.390 11.094 1.00 0.00 O ATOM 1142 ND2 ASN A 70 -0.890 -5.729 11.667 1.00 0.00 N ATOM 0 H ASN A 70 -2.292 -1.628 8.614 1.00 0.00 H new ATOM 0 HA ASN A 70 0.177 -2.301 10.153 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -2.006 -3.133 11.290 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.192 -4.192 9.905 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.230 -6.388 12.079 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -1.890 -5.929 11.685 1.00 0.00 H new ATOM 1149 N HIS A 71 0.934 -3.369 8.009 1.00 0.00 N ATOM 1150 CA HIS A 71 1.351 -4.002 6.729 1.00 0.00 C ATOM 1151 C HIS A 71 0.697 -5.382 6.599 1.00 0.00 C ATOM 1152 O HIS A 71 0.834 -6.048 5.594 1.00 0.00 O ATOM 1153 CB HIS A 71 2.875 -4.155 6.691 1.00 0.00 C ATOM 1154 CG HIS A 71 3.452 -3.288 5.600 1.00 0.00 C ATOM 1155 ND1 HIS A 71 3.806 -1.961 5.817 1.00 0.00 N ATOM 1156 CD2 HIS A 71 3.760 -3.547 4.282 1.00 0.00 C ATOM 1157 CE1 HIS A 71 4.301 -1.476 4.661 1.00 0.00 C ATOM 1158 NE2 HIS A 71 4.293 -2.401 3.702 1.00 0.00 N ATOM 0 H HIS A 71 1.694 -3.015 8.591 1.00 0.00 H new ATOM 0 HA HIS A 71 1.034 -3.368 5.901 1.00 0.00 H new ATOM 0 HB2 HIS A 71 3.301 -3.874 7.654 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.140 -5.198 6.517 1.00 0.00 H new ATOM 0 HD1 HIS A 71 3.709 -1.447 6.693 1.00 0.00 H new ATOM 0 HD2 HIS A 71 3.611 -4.491 3.779 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.659 -0.466 4.529 1.00 0.00 H new ATOM 1166 N ALA A 72 -0.010 -5.824 7.605 1.00 0.00 N ATOM 1167 CA ALA A 72 -0.661 -7.161 7.514 1.00 0.00 C ATOM 1168 C ALA A 72 -1.797 -7.267 8.534 1.00 0.00 C ATOM 1169 O ALA A 72 -1.642 -7.841 9.593 1.00 0.00 O ATOM 1170 CB ALA A 72 0.371 -8.249 7.795 1.00 0.00 C ATOM 0 H ALA A 72 -0.164 -5.321 8.479 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.069 -7.288 6.511 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.105 -9.228 7.729 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.175 -8.186 7.062 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.781 -8.112 8.796 1.00 0.00 H new ATOM 1176 N LYS A 73 -2.941 -6.729 8.217 1.00 0.00 N ATOM 1177 CA LYS A 73 -4.092 -6.811 9.163 1.00 0.00 C ATOM 1178 C LYS A 73 -4.962 -8.014 8.788 1.00 0.00 C ATOM 1179 O LYS A 73 -4.883 -9.062 9.397 1.00 0.00 O ATOM 1180 CB LYS A 73 -4.927 -5.531 9.072 1.00 0.00 C ATOM 1181 CG LYS A 73 -6.006 -5.549 10.157 1.00 0.00 C ATOM 1182 CD LYS A 73 -6.880 -4.299 10.031 1.00 0.00 C ATOM 1183 CE LYS A 73 -7.871 -4.249 11.196 1.00 0.00 C ATOM 1184 NZ LYS A 73 -8.273 -2.836 11.444 1.00 0.00 N ATOM 0 H LYS A 73 -3.130 -6.236 7.344 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.721 -6.925 10.181 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.287 -4.657 9.194 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.387 -5.453 8.087 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.619 -6.445 10.060 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.544 -5.584 11.144 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.257 -3.405 10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.418 -4.312 9.083 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.749 -4.853 10.967 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.417 -4.672 12.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.222 -2.815 11.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.592 -2.390 12.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.286 -2.316 10.544 1.00 0.00 H new ATOM 1198 N TYR A 74 -5.779 -7.875 7.779 1.00 0.00 N ATOM 1199 CA TYR A 74 -6.638 -9.016 7.353 1.00 0.00 C ATOM 1200 C TYR A 74 -5.757 -10.067 6.683 1.00 0.00 C ATOM 1201 O TYR A 74 -6.162 -11.192 6.464 1.00 0.00 O ATOM 1202 CB TYR A 74 -7.687 -8.532 6.349 1.00 0.00 C ATOM 1203 CG TYR A 74 -8.555 -7.474 6.983 1.00 0.00 C ATOM 1204 CD1 TYR A 74 -9.527 -7.835 7.923 1.00 0.00 C ATOM 1205 CD2 TYR A 74 -8.393 -6.131 6.624 1.00 0.00 C ATOM 1206 CE1 TYR A 74 -10.337 -6.853 8.504 1.00 0.00 C ATOM 1207 CE2 TYR A 74 -9.201 -5.149 7.206 1.00 0.00 C ATOM 1208 CZ TYR A 74 -10.174 -5.509 8.146 1.00 0.00 C ATOM 1209 OH TYR A 74 -10.972 -4.540 8.720 1.00 0.00 O ATOM 0 H TYR A 74 -5.888 -7.021 7.232 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.141 -9.439 8.223 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.196 -8.129 5.463 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.302 -9.370 6.020 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -9.652 -8.871 8.200 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.644 -5.853 5.897 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -11.088 -7.132 9.229 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.074 -4.113 6.930 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.728 -3.661 8.362 1.00 0.00 H new ATOM 1219 N ILE A 75 -4.555 -9.694 6.342 1.00 0.00 N ATOM 1220 CA ILE A 75 -3.631 -10.643 5.665 1.00 0.00 C ATOM 1221 C ILE A 75 -2.395 -10.873 6.541 1.00 0.00 C ATOM 1222 O ILE A 75 -1.304 -10.468 6.190 1.00 0.00 O ATOM 1223 CB ILE A 75 -3.193 -10.027 4.336 1.00 0.00 C ATOM 1224 CG1 ILE A 75 -4.395 -9.356 3.667 1.00 0.00 C ATOM 1225 CG2 ILE A 75 -2.644 -11.115 3.416 1.00 0.00 C ATOM 1226 CD1 ILE A 75 -4.040 -8.996 2.223 1.00 0.00 C ATOM 0 H ILE A 75 -4.171 -8.763 6.505 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.135 -11.595 5.497 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.415 -9.287 4.522 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.255 -10.025 3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.677 -8.459 4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.334 -10.670 2.471 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.787 -11.594 3.890 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.419 -11.859 3.230 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.896 -8.518 1.746 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.192 -8.311 2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.779 -9.902 1.676 1.00 0.00 H new ATOM 1238 N PRO A 76 -2.552 -11.517 7.673 1.00 0.00 N ATOM 1239 CA PRO A 76 -1.410 -11.788 8.592 1.00 0.00 C ATOM 1240 C PRO A 76 -0.297 -12.572 7.897 1.00 0.00 C ATOM 1241 O PRO A 76 0.869 -12.407 8.194 1.00 0.00 O ATOM 1242 CB PRO A 76 -2.015 -12.604 9.741 1.00 0.00 C ATOM 1243 CG PRO A 76 -3.374 -13.030 9.287 1.00 0.00 C ATOM 1244 CD PRO A 76 -3.817 -12.051 8.201 1.00 0.00 C ATOM 0 HA PRO A 76 -0.947 -10.864 8.937 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -1.394 -13.469 9.972 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -2.079 -12.006 10.650 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -3.348 -14.048 8.899 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.077 -13.024 10.120 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.396 -12.550 7.424 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.446 -11.260 8.608 1.00 0.00 H new ATOM 1252 N GLY A 77 -0.644 -13.409 6.959 1.00 0.00 N ATOM 1253 CA GLY A 77 0.404 -14.178 6.235 1.00 0.00 C ATOM 1254 C GLY A 77 1.386 -13.184 5.619 1.00 0.00 C ATOM 1255 O GLY A 77 2.534 -13.494 5.367 1.00 0.00 O ATOM 0 H GLY A 77 -1.603 -13.593 6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.922 -14.850 6.919 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.047 -14.797 5.459 1.00 0.00 H new ATOM 1259 N THR A 78 0.932 -11.984 5.378 1.00 0.00 N ATOM 1260 CA THR A 78 1.816 -10.948 4.781 1.00 0.00 C ATOM 1261 C THR A 78 2.889 -10.538 5.793 1.00 0.00 C ATOM 1262 O THR A 78 2.644 -10.462 6.980 1.00 0.00 O ATOM 1263 CB THR A 78 0.974 -9.730 4.394 1.00 0.00 C ATOM 1264 OG1 THR A 78 -0.001 -10.118 3.436 1.00 0.00 O ATOM 1265 CG2 THR A 78 1.873 -8.645 3.801 1.00 0.00 C ATOM 0 H THR A 78 -0.021 -11.677 5.571 1.00 0.00 H new ATOM 0 HA THR A 78 2.303 -11.351 3.893 1.00 0.00 H new ATOM 0 HB THR A 78 0.478 -9.336 5.281 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.543 -9.340 3.187 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.268 -7.781 3.527 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.619 -8.347 4.538 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.374 -9.032 2.914 1.00 0.00 H new ATOM 1273 N LYS A 79 4.082 -10.284 5.326 1.00 0.00 N ATOM 1274 CA LYS A 79 5.186 -9.890 6.248 1.00 0.00 C ATOM 1275 C LYS A 79 5.012 -8.424 6.656 1.00 0.00 C ATOM 1276 O LYS A 79 4.276 -7.681 6.038 1.00 0.00 O ATOM 1277 CB LYS A 79 6.521 -10.043 5.522 1.00 0.00 C ATOM 1278 CG LYS A 79 6.605 -11.428 4.879 1.00 0.00 C ATOM 1279 CD LYS A 79 7.954 -11.580 4.175 1.00 0.00 C ATOM 1280 CE LYS A 79 7.916 -12.801 3.255 1.00 0.00 C ATOM 1281 NZ LYS A 79 9.084 -13.680 3.546 1.00 0.00 N ATOM 0 H LYS A 79 4.340 -10.333 4.340 1.00 0.00 H new ATOM 0 HA LYS A 79 5.164 -10.525 7.134 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.621 -9.271 4.759 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.344 -9.907 6.223 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.489 -12.201 5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.793 -11.559 4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.177 -10.683 3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.750 -11.691 4.911 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.987 -13.352 3.403 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.937 -12.485 2.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.058 -14.510 2.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.965 -13.152 3.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.045 -13.992 4.537 1.00 0.00 H new ATOM 1295 N MET A 80 5.692 -8.003 7.689 1.00 0.00 N ATOM 1296 CA MET A 80 5.580 -6.584 8.139 1.00 0.00 C ATOM 1297 C MET A 80 6.983 -5.991 8.293 1.00 0.00 C ATOM 1298 O MET A 80 7.944 -6.704 8.507 1.00 0.00 O ATOM 1299 CB MET A 80 4.853 -6.530 9.485 1.00 0.00 C ATOM 1300 CG MET A 80 3.421 -7.038 9.313 1.00 0.00 C ATOM 1301 SD MET A 80 2.507 -6.803 10.857 1.00 0.00 S ATOM 1302 CE MET A 80 3.572 -7.822 11.908 1.00 0.00 C ATOM 0 H MET A 80 6.323 -8.583 8.243 1.00 0.00 H new ATOM 0 HA MET A 80 5.019 -6.010 7.402 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.380 -7.139 10.220 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.844 -5.508 9.865 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.929 -6.502 8.502 1.00 0.00 H new ATOM 0 HG3 MET A 80 3.429 -8.093 9.040 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.995 -8.201 12.751 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.961 -8.659 11.329 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.402 -7.220 12.278 1.00 0.00 H new ATOM 1312 N ALA A 81 7.116 -4.695 8.186 1.00 0.00 N ATOM 1313 CA ALA A 81 8.468 -4.082 8.329 1.00 0.00 C ATOM 1314 C ALA A 81 8.386 -2.557 8.184 1.00 0.00 C ATOM 1315 O ALA A 81 9.357 -1.912 7.842 1.00 0.00 O ATOM 1316 CB ALA A 81 9.394 -4.643 7.249 1.00 0.00 C ATOM 0 H ALA A 81 6.354 -4.040 8.007 1.00 0.00 H new ATOM 0 HA ALA A 81 8.859 -4.320 9.318 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.383 -4.197 7.350 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.470 -5.725 7.361 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.989 -4.408 6.265 1.00 0.00 H new ATOM 1322 N PHE A 82 7.248 -1.970 8.450 1.00 0.00 N ATOM 1323 CA PHE A 82 7.137 -0.485 8.331 1.00 0.00 C ATOM 1324 C PHE A 82 7.223 0.142 9.728 1.00 0.00 C ATOM 1325 O PHE A 82 6.756 -0.419 10.700 1.00 0.00 O ATOM 1326 CB PHE A 82 5.808 -0.098 7.676 1.00 0.00 C ATOM 1327 CG PHE A 82 5.807 1.390 7.449 1.00 0.00 C ATOM 1328 CD1 PHE A 82 6.446 1.929 6.327 1.00 0.00 C ATOM 1329 CD2 PHE A 82 5.191 2.232 8.376 1.00 0.00 C ATOM 1330 CE1 PHE A 82 6.463 3.314 6.130 1.00 0.00 C ATOM 1331 CE2 PHE A 82 5.212 3.617 8.184 1.00 0.00 C ATOM 1332 CZ PHE A 82 5.846 4.159 7.060 1.00 0.00 C ATOM 0 H PHE A 82 6.397 -2.450 8.742 1.00 0.00 H new ATOM 0 HA PHE A 82 7.953 -0.117 7.708 1.00 0.00 H new ATOM 0 HB2 PHE A 82 5.683 -0.626 6.731 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.973 -0.385 8.314 1.00 0.00 H new ATOM 0 HD1 PHE A 82 6.926 1.276 5.613 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.698 1.814 9.241 1.00 0.00 H new ATOM 0 HE1 PHE A 82 6.951 3.731 5.262 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.739 4.269 8.903 1.00 0.00 H new ATOM 0 HZ PHE A 82 5.859 5.228 6.910 1.00 0.00 H new ATOM 1342 N GLY A 83 7.833 1.294 9.840 1.00 0.00 N ATOM 1343 CA GLY A 83 7.969 1.948 11.177 1.00 0.00 C ATOM 1344 C GLY A 83 6.602 2.066 11.862 1.00 0.00 C ATOM 1345 O GLY A 83 6.438 1.674 13.000 1.00 0.00 O ATOM 0 H GLY A 83 8.243 1.811 9.062 1.00 0.00 H new ATOM 0 HA2 GLY A 83 8.647 1.369 11.804 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.410 2.938 11.060 1.00 0.00 H new ATOM 1349 N GLY A 84 5.618 2.594 11.185 1.00 0.00 N ATOM 1350 CA GLY A 84 4.271 2.720 11.816 1.00 0.00 C ATOM 1351 C GLY A 84 3.494 3.883 11.188 1.00 0.00 C ATOM 1352 O GLY A 84 3.483 4.984 11.702 1.00 0.00 O ATOM 0 H GLY A 84 5.687 2.942 10.229 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.714 1.792 11.689 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.378 2.883 12.888 1.00 0.00 H new ATOM 1356 N LEU A 85 2.836 3.645 10.084 1.00 0.00 N ATOM 1357 CA LEU A 85 2.050 4.729 9.427 1.00 0.00 C ATOM 1358 C LEU A 85 0.723 4.900 10.166 1.00 0.00 C ATOM 1359 O LEU A 85 -0.261 5.342 9.606 1.00 0.00 O ATOM 1360 CB LEU A 85 1.781 4.349 7.968 1.00 0.00 C ATOM 1361 CG LEU A 85 1.650 5.620 7.126 1.00 0.00 C ATOM 1362 CD1 LEU A 85 3.001 6.326 7.052 1.00 0.00 C ATOM 1363 CD2 LEU A 85 1.198 5.252 5.714 1.00 0.00 C ATOM 0 H LEU A 85 2.809 2.743 9.608 1.00 0.00 H new ATOM 0 HA LEU A 85 2.610 5.664 9.458 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.593 3.729 7.587 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.868 3.757 7.897 1.00 0.00 H new ATOM 0 HG LEU A 85 0.916 6.282 7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.906 7.231 6.452 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.329 6.590 8.057 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.734 5.662 6.594 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.105 6.157 5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.933 4.589 5.258 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.233 4.747 5.761 1.00 0.00 H new ATOM 1375 N LYS A 86 0.688 4.545 11.421 1.00 0.00 N ATOM 1376 CA LYS A 86 -0.569 4.674 12.204 1.00 0.00 C ATOM 1377 C LYS A 86 -1.093 6.108 12.108 1.00 0.00 C ATOM 1378 O LYS A 86 -2.283 6.346 12.169 1.00 0.00 O ATOM 1379 CB LYS A 86 -0.286 4.330 13.666 1.00 0.00 C ATOM 1380 CG LYS A 86 0.130 2.862 13.775 1.00 0.00 C ATOM 1381 CD LYS A 86 0.299 2.487 15.249 1.00 0.00 C ATOM 1382 CE LYS A 86 0.834 1.058 15.355 1.00 0.00 C ATOM 1383 NZ LYS A 86 2.115 0.950 14.601 1.00 0.00 N ATOM 0 H LYS A 86 1.482 4.169 11.939 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.319 3.992 11.804 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.504 4.972 14.055 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.173 4.513 14.272 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.622 2.224 13.311 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.064 2.697 13.237 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.985 3.180 15.735 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.656 2.568 15.768 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.992 0.794 16.401 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.104 0.354 14.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.690 0.182 15.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.913 0.746 13.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.637 1.847 14.672 1.00 0.00 H new ATOM 1397 N LYS A 87 -0.221 7.066 11.960 1.00 0.00 N ATOM 1398 CA LYS A 87 -0.687 8.477 11.862 1.00 0.00 C ATOM 1399 C LYS A 87 -1.615 8.617 10.654 1.00 0.00 C ATOM 1400 O LYS A 87 -1.240 8.338 9.532 1.00 0.00 O ATOM 1401 CB LYS A 87 0.518 9.406 11.695 1.00 0.00 C ATOM 1402 CG LYS A 87 1.381 9.353 12.957 1.00 0.00 C ATOM 1403 CD LYS A 87 2.519 10.369 12.840 1.00 0.00 C ATOM 1404 CE LYS A 87 3.442 10.244 14.054 1.00 0.00 C ATOM 1405 NZ LYS A 87 4.854 10.116 13.594 1.00 0.00 N ATOM 0 H LYS A 87 0.789 6.934 11.903 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.225 8.749 12.770 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.105 9.105 10.827 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.181 10.427 11.514 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.773 9.571 13.835 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.787 8.350 13.091 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.082 10.196 11.923 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.114 11.379 12.780 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.336 11.118 14.697 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.162 9.375 14.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.482 10.031 14.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.949 9.269 12.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.118 10.958 13.044 1.00 0.00 H new ATOM 1419 N GLU A 88 -2.827 9.041 10.878 1.00 0.00 N ATOM 1420 CA GLU A 88 -3.790 9.194 9.752 1.00 0.00 C ATOM 1421 C GLU A 88 -3.309 10.282 8.791 1.00 0.00 C ATOM 1422 O GLU A 88 -3.573 10.235 7.606 1.00 0.00 O ATOM 1423 CB GLU A 88 -5.161 9.579 10.307 1.00 0.00 C ATOM 1424 CG GLU A 88 -5.716 8.431 11.155 1.00 0.00 C ATOM 1425 CD GLU A 88 -5.928 7.199 10.274 1.00 0.00 C ATOM 1426 OE1 GLU A 88 -5.972 7.360 9.065 1.00 0.00 O ATOM 1427 OE2 GLU A 88 -6.042 6.115 10.822 1.00 0.00 O ATOM 0 H GLU A 88 -3.194 9.289 11.797 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.860 8.249 9.213 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.079 10.483 10.911 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.845 9.803 9.489 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.025 8.197 11.965 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.658 8.728 11.615 1.00 0.00 H new ATOM 1434 N LYS A 89 -2.621 11.271 9.289 1.00 0.00 N ATOM 1435 CA LYS A 89 -2.145 12.364 8.400 1.00 0.00 C ATOM 1436 C LYS A 89 -1.288 11.788 7.271 1.00 0.00 C ATOM 1437 O LYS A 89 -1.463 12.124 6.116 1.00 0.00 O ATOM 1438 CB LYS A 89 -1.315 13.349 9.222 1.00 0.00 C ATOM 1439 CG LYS A 89 -2.208 14.019 10.269 1.00 0.00 C ATOM 1440 CD LYS A 89 -1.407 15.088 11.016 1.00 0.00 C ATOM 1441 CE LYS A 89 -2.260 15.670 12.145 1.00 0.00 C ATOM 1442 NZ LYS A 89 -1.654 15.315 13.459 1.00 0.00 N ATOM 0 H LYS A 89 -2.368 11.369 10.272 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.003 12.875 7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -0.492 12.828 9.711 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.873 14.102 8.569 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.075 14.470 9.787 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.584 13.275 10.971 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.493 14.655 11.423 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.106 15.879 10.329 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.326 16.753 12.044 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -3.277 15.281 12.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -2.234 15.710 14.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.613 14.280 13.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.692 15.706 13.515 1.00 0.00 H new ATOM 1456 N ASP A 90 -0.367 10.922 7.586 1.00 0.00 N ATOM 1457 CA ASP A 90 0.488 10.331 6.521 1.00 0.00 C ATOM 1458 C ASP A 90 -0.352 9.387 5.660 1.00 0.00 C ATOM 1459 O ASP A 90 -0.338 9.452 4.447 1.00 0.00 O ATOM 1460 CB ASP A 90 1.629 9.546 7.166 1.00 0.00 C ATOM 1461 CG ASP A 90 2.528 10.503 7.951 1.00 0.00 C ATOM 1462 OD1 ASP A 90 2.413 11.699 7.741 1.00 0.00 O ATOM 1463 OD2 ASP A 90 3.315 10.023 8.750 1.00 0.00 O ATOM 0 H ASP A 90 -0.170 10.598 8.533 1.00 0.00 H new ATOM 0 HA ASP A 90 0.897 11.127 5.898 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.228 8.780 7.830 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.209 9.032 6.400 1.00 0.00 H new ATOM 1468 N ARG A 91 -1.080 8.504 6.286 1.00 0.00 N ATOM 1469 CA ARG A 91 -1.922 7.541 5.520 1.00 0.00 C ATOM 1470 C ARG A 91 -2.930 8.292 4.645 1.00 0.00 C ATOM 1471 O ARG A 91 -3.199 7.906 3.525 1.00 0.00 O ATOM 1472 CB ARG A 91 -2.677 6.644 6.503 1.00 0.00 C ATOM 1473 CG ARG A 91 -3.467 5.586 5.731 1.00 0.00 C ATOM 1474 CD ARG A 91 -4.208 4.682 6.719 1.00 0.00 C ATOM 1475 NE ARG A 91 -5.314 5.448 7.361 1.00 0.00 N ATOM 1476 CZ ARG A 91 -6.296 4.813 7.939 1.00 0.00 C ATOM 1477 NH1 ARG A 91 -6.299 3.509 7.972 1.00 0.00 N ATOM 1478 NH2 ARG A 91 -7.273 5.481 8.488 1.00 0.00 N ATOM 0 H ARG A 91 -1.128 8.407 7.300 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.279 6.938 4.879 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.975 6.163 7.184 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.353 7.244 7.113 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.177 6.066 5.058 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.793 4.992 5.113 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.608 3.810 6.201 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.518 4.313 7.478 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.303 6.468 7.348 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.534 2.986 7.546 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.067 3.012 8.424 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.269 6.501 8.465 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.040 4.983 8.940 1.00 0.00 H new ATOM 1492 N ASN A 92 -3.504 9.349 5.150 1.00 0.00 N ATOM 1493 CA ASN A 92 -4.509 10.104 4.350 1.00 0.00 C ATOM 1494 C ASN A 92 -3.863 10.695 3.096 1.00 0.00 C ATOM 1495 O ASN A 92 -4.312 10.468 1.990 1.00 0.00 O ATOM 1496 CB ASN A 92 -5.077 11.237 5.203 1.00 0.00 C ATOM 1497 CG ASN A 92 -5.847 10.651 6.387 1.00 0.00 C ATOM 1498 OD1 ASN A 92 -6.090 9.462 6.441 1.00 0.00 O ATOM 1499 ND2 ASN A 92 -6.251 11.444 7.341 1.00 0.00 N ATOM 0 H ASN A 92 -3.321 9.722 6.081 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.304 9.423 4.048 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.270 11.876 5.561 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.736 11.863 4.602 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.771 11.066 8.133 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.047 12.442 7.295 1.00 0.00 H new ATOM 1506 N ASP A 93 -2.819 11.456 3.257 1.00 0.00 N ATOM 1507 CA ASP A 93 -2.152 12.066 2.072 1.00 0.00 C ATOM 1508 C ASP A 93 -1.561 10.964 1.191 1.00 0.00 C ATOM 1509 O ASP A 93 -1.598 11.033 -0.021 1.00 0.00 O ATOM 1510 CB ASP A 93 -1.034 12.999 2.544 1.00 0.00 C ATOM 1511 CG ASP A 93 -1.640 14.171 3.318 1.00 0.00 C ATOM 1512 OD1 ASP A 93 -2.846 14.339 3.251 1.00 0.00 O ATOM 1513 OD2 ASP A 93 -0.887 14.881 3.965 1.00 0.00 O ATOM 0 H ASP A 93 -2.397 11.683 4.158 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.883 12.634 1.496 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.334 12.454 3.178 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.468 13.368 1.688 1.00 0.00 H new ATOM 1518 N LEU A 94 -1.015 9.951 1.799 1.00 0.00 N ATOM 1519 CA LEU A 94 -0.411 8.836 1.018 1.00 0.00 C ATOM 1520 C LEU A 94 -1.407 8.310 -0.007 1.00 0.00 C ATOM 1521 O LEU A 94 -1.186 8.368 -1.200 1.00 0.00 O ATOM 1522 CB LEU A 94 -0.049 7.709 1.986 1.00 0.00 C ATOM 1523 CG LEU A 94 0.464 6.492 1.214 1.00 0.00 C ATOM 1524 CD1 LEU A 94 1.701 6.875 0.405 1.00 0.00 C ATOM 1525 CD2 LEU A 94 0.826 5.394 2.210 1.00 0.00 C ATOM 0 H LEU A 94 -0.960 9.846 2.812 1.00 0.00 H new ATOM 0 HA LEU A 94 0.476 9.196 0.496 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.713 8.052 2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.923 7.432 2.576 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.309 6.137 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.062 6.004 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.444 7.666 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.481 7.229 1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.193 4.521 1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.601 5.756 2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.058 5.120 2.786 1.00 0.00 H new ATOM 1537 N ILE A 95 -2.495 7.778 0.458 1.00 0.00 N ATOM 1538 CA ILE A 95 -3.510 7.220 -0.463 1.00 0.00 C ATOM 1539 C ILE A 95 -4.073 8.318 -1.361 1.00 0.00 C ATOM 1540 O ILE A 95 -4.462 8.068 -2.485 1.00 0.00 O ATOM 1541 CB ILE A 95 -4.618 6.583 0.361 1.00 0.00 C ATOM 1542 CG1 ILE A 95 -4.019 5.432 1.173 1.00 0.00 C ATOM 1543 CG2 ILE A 95 -5.697 6.056 -0.575 1.00 0.00 C ATOM 1544 CD1 ILE A 95 -5.081 4.848 2.107 1.00 0.00 C ATOM 0 H ILE A 95 -2.726 7.706 1.449 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.052 6.466 -1.104 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.061 7.315 1.036 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -3.646 4.658 0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.168 5.789 1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.494 5.598 0.010 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.104 6.880 -1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.266 5.312 -1.245 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.649 4.029 2.682 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.433 5.623 2.787 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.918 4.475 1.518 1.00 0.00 H new ATOM 1556 N THR A 96 -4.118 9.530 -0.890 1.00 0.00 N ATOM 1557 CA THR A 96 -4.650 10.621 -1.738 1.00 0.00 C ATOM 1558 C THR A 96 -3.904 10.613 -3.073 1.00 0.00 C ATOM 1559 O THR A 96 -4.487 10.788 -4.124 1.00 0.00 O ATOM 1560 CB THR A 96 -4.429 11.958 -1.031 1.00 0.00 C ATOM 1561 OG1 THR A 96 -4.958 11.888 0.286 1.00 0.00 O ATOM 1562 CG2 THR A 96 -5.136 13.062 -1.806 1.00 0.00 C ATOM 0 H THR A 96 -3.810 9.809 0.042 1.00 0.00 H new ATOM 0 HA THR A 96 -5.716 10.478 -1.913 1.00 0.00 H new ATOM 0 HB THR A 96 -3.362 12.175 -0.982 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.382 11.320 0.840 1.00 0.00 H new ATOM 0 HG21 THR A 96 -4.980 14.017 -1.304 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.731 13.113 -2.817 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.204 12.847 -1.853 1.00 0.00 H new ATOM 1570 N TYR A 97 -2.618 10.398 -3.036 1.00 0.00 N ATOM 1571 CA TYR A 97 -1.829 10.363 -4.297 1.00 0.00 C ATOM 1572 C TYR A 97 -2.092 9.048 -5.035 1.00 0.00 C ATOM 1573 O TYR A 97 -2.316 9.029 -6.229 1.00 0.00 O ATOM 1574 CB TYR A 97 -0.341 10.485 -3.964 1.00 0.00 C ATOM 1575 CG TYR A 97 0.473 10.298 -5.220 1.00 0.00 C ATOM 1576 CD1 TYR A 97 0.567 11.329 -6.161 1.00 0.00 C ATOM 1577 CD2 TYR A 97 1.129 9.085 -5.443 1.00 0.00 C ATOM 1578 CE1 TYR A 97 1.321 11.144 -7.327 1.00 0.00 C ATOM 1579 CE2 TYR A 97 1.881 8.897 -6.606 1.00 0.00 C ATOM 1580 CZ TYR A 97 1.978 9.927 -7.550 1.00 0.00 C ATOM 1581 OH TYR A 97 2.720 9.744 -8.699 1.00 0.00 O ATOM 0 H TYR A 97 -2.079 10.245 -2.184 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.126 11.193 -4.938 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.134 11.462 -3.526 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.061 9.737 -3.222 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.059 12.266 -5.989 1.00 0.00 H new ATOM 0 HD2 TYR A 97 1.055 8.291 -4.715 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.396 11.939 -8.054 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.387 7.958 -6.777 1.00 0.00 H new ATOM 0 HH TYR A 97 3.110 8.845 -8.697 1.00 0.00 H new ATOM 1591 N LEU A 98 -2.065 7.949 -4.333 1.00 0.00 N ATOM 1592 CA LEU A 98 -2.311 6.634 -4.994 1.00 0.00 C ATOM 1593 C LEU A 98 -3.705 6.634 -5.618 1.00 0.00 C ATOM 1594 O LEU A 98 -3.892 6.233 -6.750 1.00 0.00 O ATOM 1595 CB LEU A 98 -2.225 5.522 -3.949 1.00 0.00 C ATOM 1596 CG LEU A 98 -0.854 5.560 -3.275 1.00 0.00 C ATOM 1597 CD1 LEU A 98 -0.809 4.532 -2.143 1.00 0.00 C ATOM 1598 CD2 LEU A 98 0.225 5.220 -4.301 1.00 0.00 C ATOM 0 H LEU A 98 -1.883 7.903 -3.330 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.564 6.468 -5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.011 5.647 -3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.383 4.552 -4.421 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.679 6.557 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.170 4.561 -1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.580 4.766 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.985 3.536 -2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.204 5.247 -3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.044 4.223 -4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.198 5.948 -5.112 1.00 0.00 H new ATOM 1610 N LYS A 99 -4.683 7.091 -4.890 1.00 0.00 N ATOM 1611 CA LYS A 99 -6.065 7.133 -5.438 1.00 0.00 C ATOM 1612 C LYS A 99 -6.092 8.050 -6.661 1.00 0.00 C ATOM 1613 O LYS A 99 -6.766 7.785 -7.637 1.00 0.00 O ATOM 1614 CB LYS A 99 -7.017 7.660 -4.364 1.00 0.00 C ATOM 1615 CG LYS A 99 -8.445 7.708 -4.912 1.00 0.00 C ATOM 1616 CD LYS A 99 -9.373 8.329 -3.865 1.00 0.00 C ATOM 1617 CE LYS A 99 -10.826 8.191 -4.322 1.00 0.00 C ATOM 1618 NZ LYS A 99 -11.501 7.132 -3.520 1.00 0.00 N ATOM 0 H LYS A 99 -4.584 7.438 -3.936 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.380 6.132 -5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.977 7.018 -3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.706 8.655 -4.047 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.474 8.293 -5.831 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.784 6.703 -5.163 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.235 7.835 -2.903 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.124 9.381 -3.722 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.348 9.141 -4.202 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.863 7.938 -5.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.528 7.298 -3.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.301 6.200 -3.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.146 7.157 -2.543 1.00 0.00 H new ATOM 1632 N LYS A 100 -5.358 9.127 -6.614 1.00 0.00 N ATOM 1633 CA LYS A 100 -5.328 10.066 -7.770 1.00 0.00 C ATOM 1634 C LYS A 100 -4.841 9.319 -9.006 1.00 0.00 C ATOM 1635 O LYS A 100 -5.354 9.482 -10.095 1.00 0.00 O ATOM 1636 CB LYS A 100 -4.355 11.202 -7.464 1.00 0.00 C ATOM 1637 CG LYS A 100 -4.502 12.303 -8.517 1.00 0.00 C ATOM 1638 CD LYS A 100 -3.482 13.410 -8.244 1.00 0.00 C ATOM 1639 CE LYS A 100 -3.724 14.576 -9.203 1.00 0.00 C ATOM 1640 NZ LYS A 100 -5.172 14.927 -9.206 1.00 0.00 N ATOM 0 H LYS A 100 -4.776 9.398 -5.822 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.326 10.467 -7.946 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.553 11.606 -6.471 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.332 10.826 -7.457 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.348 11.890 -9.514 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.512 12.711 -8.493 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.567 13.751 -7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.470 13.026 -8.370 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.131 15.439 -8.900 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.403 14.306 -10.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.287 15.926 -9.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.673 14.327 -9.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.568 14.774 -8.257 1.00 0.00 H new ATOM 1654 N ALA A 101 -3.851 8.495 -8.836 1.00 0.00 N ATOM 1655 CA ALA A 101 -3.315 7.719 -9.989 1.00 0.00 C ATOM 1656 C ALA A 101 -4.351 6.677 -10.396 1.00 0.00 C ATOM 1657 O ALA A 101 -4.717 6.562 -11.549 1.00 0.00 O ATOM 1658 CB ALA A 101 -2.017 7.020 -9.579 1.00 0.00 C ATOM 0 H ALA A 101 -3.386 8.323 -7.945 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.109 8.387 -10.825 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.627 6.453 -10.424 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.283 7.766 -9.272 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.215 6.343 -8.748 1.00 0.00 H new ATOM 1664 N THR A 102 -4.841 5.928 -9.449 1.00 0.00 N ATOM 1665 CA THR A 102 -5.871 4.906 -9.768 1.00 0.00 C ATOM 1666 C THR A 102 -7.111 5.617 -10.303 1.00 0.00 C ATOM 1667 O THR A 102 -7.841 5.090 -11.119 1.00 0.00 O ATOM 1668 CB THR A 102 -6.232 4.125 -8.502 1.00 0.00 C ATOM 1669 OG1 THR A 102 -5.050 3.583 -7.928 1.00 0.00 O ATOM 1670 CG2 THR A 102 -7.196 2.992 -8.858 1.00 0.00 C ATOM 0 H THR A 102 -4.571 5.981 -8.467 1.00 0.00 H new ATOM 0 HA THR A 102 -5.487 4.211 -10.515 1.00 0.00 H new ATOM 0 HB THR A 102 -6.710 4.793 -7.785 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.578 4.282 -7.429 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.453 2.436 -7.956 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.102 3.410 -9.297 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.721 2.322 -9.575 1.00 0.00 H new ATOM 1678 N GLU A 103 -7.356 6.815 -9.843 1.00 0.00 N ATOM 1679 CA GLU A 103 -8.553 7.564 -10.321 1.00 0.00 C ATOM 1680 C GLU A 103 -8.663 7.433 -11.841 1.00 0.00 C ATOM 1681 O GLU A 103 -9.580 6.826 -12.357 1.00 0.00 O ATOM 1682 CB GLU A 103 -8.418 9.042 -9.946 1.00 0.00 C ATOM 1683 CG GLU A 103 -9.717 9.776 -10.286 1.00 0.00 C ATOM 1684 CD GLU A 103 -9.546 11.270 -10.007 1.00 0.00 C ATOM 1685 OE1 GLU A 103 -8.463 11.657 -9.600 1.00 0.00 O ATOM 1686 OE2 GLU A 103 -10.502 12.003 -10.205 1.00 0.00 O ATOM 0 H GLU A 103 -6.780 7.306 -9.159 1.00 0.00 H new ATOM 0 HA GLU A 103 -9.447 7.152 -9.854 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.200 9.140 -8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.583 9.490 -10.485 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.973 9.618 -11.334 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.539 9.376 -9.693 1.00 0.00 H new TER 1693 GLU A 103 HETATM 1694 FE HEC A 104 4.891 -2.339 1.685 1.00 0.00 FE HETATM 1695 CHA HEC A 104 3.129 -5.166 1.062 1.00 0.00 C HETATM 1696 CHB HEC A 104 2.187 -0.462 0.901 1.00 0.00 C HETATM 1697 CHC HEC A 104 6.659 0.487 2.300 1.00 0.00 C HETATM 1698 CHD HEC A 104 7.638 -4.194 2.346 1.00 0.00 C HETATM 1699 NA HEC A 104 3.051 -2.728 1.119 1.00 0.00 N HETATM 1700 C1A HEC A 104 2.466 -3.964 0.901 1.00 0.00 C HETATM 1701 C2A HEC A 104 1.067 -3.822 0.508 1.00 0.00 C HETATM 1702 C3A HEC A 104 0.831 -2.492 0.435 1.00 0.00 C HETATM 1703 C4A HEC A 104 2.043 -1.827 0.844 1.00 0.00 C HETATM 1704 CMA HEC A 104 -0.411 -1.841 -0.079 1.00 0.00 C HETATM 1705 CAA HEC A 104 0.021 -4.894 0.419 1.00 0.00 C HETATM 1706 CBA HEC A 104 -0.796 -4.806 -0.874 1.00 0.00 C HETATM 1707 CGA HEC A 104 -0.703 -6.128 -1.635 1.00 0.00 C HETATM 1708 O1A HEC A 104 0.031 -6.177 -2.606 1.00 0.00 O HETATM 1709 O2A HEC A 104 -1.375 -7.067 -1.239 1.00 0.00 O HETATM 1710 NB HEC A 104 4.507 -0.413 1.615 1.00 0.00 N HETATM 1711 C1B HEC A 104 3.331 0.201 1.253 1.00 0.00 C HETATM 1712 C2B HEC A 104 3.426 1.635 1.341 1.00 0.00 C HETATM 1713 C3B HEC A 104 4.693 1.921 1.706 1.00 0.00 C HETATM 1714 C4B HEC A 104 5.351 0.642 1.913 1.00 0.00 C HETATM 1715 CMB HEC A 104 2.296 2.597 1.276 1.00 0.00 C HETATM 1716 CAB HEC A 104 5.296 3.293 1.777 1.00 0.00 C HETATM 1717 CBB HEC A 104 4.657 4.154 2.870 1.00 0.00 C HETATM 1718 NC HEC A 104 6.729 -1.942 2.227 1.00 0.00 N HETATM 1719 C1C HEC A 104 7.303 -0.708 2.440 1.00 0.00 C HETATM 1720 C2C HEC A 104 8.680 -0.820 2.824 1.00 0.00 C HETATM 1721 C3C HEC A 104 8.989 -2.129 2.773 1.00 0.00 C HETATM 1722 C4C HEC A 104 7.760 -2.828 2.452 1.00 0.00 C HETATM 1723 CMC HEC A 104 9.530 0.263 3.388 1.00 0.00 C HETATM 1724 CAC HEC A 104 10.367 -2.687 2.804 1.00 0.00 C HETATM 1725 CBC HEC A 104 10.998 -2.653 4.197 1.00 0.00 C HETATM 1726 ND HEC A 104 5.289 -4.256 1.721 1.00 0.00 N HETATM 1727 C1D HEC A 104 6.489 -4.865 2.006 1.00 0.00 C HETATM 1728 C2D HEC A 104 6.390 -6.304 1.943 1.00 0.00 C HETATM 1729 C3D HEC A 104 5.116 -6.580 1.538 1.00 0.00 C HETATM 1730 C4D HEC A 104 4.441 -5.305 1.446 1.00 0.00 C HETATM 1731 CMD HEC A 104 7.394 -7.259 2.489 1.00 0.00 C HETATM 1732 CAD HEC A 104 4.528 -7.901 1.114 1.00 0.00 C HETATM 1733 CBD HEC A 104 5.534 -9.047 0.947 1.00 0.00 C HETATM 1734 CGD HEC A 104 4.996 -10.042 -0.081 1.00 0.00 C HETATM 1735 O1D HEC A 104 5.712 -10.343 -1.021 1.00 0.00 O HETATM 1736 O2D HEC A 104 3.879 -10.494 0.098 1.00 0.00 O HETATM 0 HMD3 HEC A 104 8.356 -7.093 2.003 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 7.498 -7.103 3.563 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 7.064 -8.281 2.301 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 9.590 1.087 2.677 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 9.093 0.620 4.321 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 10.531 -0.123 3.581 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 1.782 2.490 0.321 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 1.598 2.394 2.088 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 2.678 3.614 1.371 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -0.569 -2.128 -1.119 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 -1.264 -2.161 0.519 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 -0.308 -0.758 -0.013 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 6.498 -8.656 0.622 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 5.697 -9.546 1.902 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 11.052 -1.622 4.547 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 10.390 -3.239 4.886 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 12.002 -3.074 4.152 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 3.591 4.264 2.670 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 4.796 3.674 3.839 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 5.128 5.137 2.881 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -1.837 -4.581 -0.643 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.424 -3.991 -1.495 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 3.782 -8.200 1.850 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 4.004 -7.759 0.169 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 0.500 -5.871 0.477 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -0.649 -4.816 1.275 1.00 0.00 H new HETATM 0 HHD HEC A 104 8.526 -4.793 2.548 1.00 0.00 H new HETATM 0 HHC HEC A 104 7.229 1.391 2.513 1.00 0.00 H new HETATM 0 HHB HEC A 104 1.318 0.143 0.644 1.00 0.00 H new HETATM 0 HHA HEC A 104 2.565 -6.078 0.869 1.00 0.00 H new