USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 879 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 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 67 TYR OH : rot -124:sc= 1.13 USER MOD Set 1.2: A 78 THR OG1 : rot 93:sc= 0.603 USER MOD Set 1.3: A 105 HEC O2D : rot 71:sc= 0.693 USER MOD Set 2.1: A 55 LYS NZ :NH3+ 149:sc= 0.964 (180deg=0.0993) USER MOD Set 2.2: A 74 TYR OH : rot 29:sc= -1.27 USER MOD Set 3.1: A 40 THR OG1 : rot 119:sc= 1.86 USER MOD Set 3.2: A 48 TYR OH : rot 71:sc= 0.195 USER MOD Set 3.3: A 105 HEC O2A : rot 59:sc= 1.73! USER MOD Set 4.1: A 12 GLN : amide:sc= 0.938 K(o=2.1,f=-6.4!) USER MOD Set 4.2: A 13 LYS NZ :NH3+ -179:sc= 1.2 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -157:sc= -0.507! (180deg=-2.17!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 1.16 K(o=1.2,f=-1.1) USER MOD Single : A 19 THR OG1 : rot 57:sc= 0.00399 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.57 K(o=-0.57,f=-1.2) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0154) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.505 K(o=-0.5,f=-5.6!) USER MOD Single : A 33 HIS : no HD1:sc= -0.0639 X(o=-0.064,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 47 THR OG1 : rot 100:sc= 0.029 USER MOD Single : A 49 THR OG1 : rot 170:sc= 1.05 USER MOD Single : A 52 ASN : amide:sc= -1.27 K(o=-1.3,f=-2.2!) USER MOD Single : A 53 LYS NZ :NH3+ 171:sc= 1.3 (180deg=1.16) USER MOD Single : A 54 ASN : amide:sc= -0.0378 X(o=-0.038,f=-0.038) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -169:sc= -0.0385 USER MOD Single : A 65 MET CE :methyl -166:sc= -0.0236 (180deg=-0.482) USER MOD Single : A 70 ASN : amide:sc= -0.19 K(o=-0.19,f=-1.8) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0166) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.0893 (180deg=-0.0893) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.0533) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.05 USER MOD Single : A 97 TYR OH : rot -151:sc= 0.195 USER MOD Single : A 99 LYS NZ :NH3+ -160:sc= -0.0327 (180deg=-0.706) USER MOD Single : A 100 LYS NZ :NH3+ -178:sc= 1.17 (180deg=1.04) USER MOD Single : A 102 THR OG1 : rot -87:sc= 0.989 USER MOD Single : A 103 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.870 10.167 3.370 1.00 0.00 N ATOM 2 CA GLY A 1 -10.447 10.675 4.669 1.00 0.00 C ATOM 3 C GLY A 1 -9.452 11.772 4.323 1.00 0.00 C ATOM 4 O GLY A 1 -9.627 12.359 3.252 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.799 9.709 3.462 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.938 10.955 2.694 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.175 9.474 3.025 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.290 11.065 5.240 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.987 9.894 5.274 1.00 0.00 H new ATOM 10 N ASP A 2 -8.427 12.007 5.130 1.00 0.00 N ATOM 11 CA ASP A 2 -7.572 13.182 5.024 1.00 0.00 C ATOM 12 C ASP A 2 -6.113 12.775 4.897 1.00 0.00 C ATOM 13 O ASP A 2 -5.725 11.676 5.280 1.00 0.00 O ATOM 14 CB ASP A 2 -7.780 14.075 6.251 1.00 0.00 C ATOM 15 CG ASP A 2 -9.118 14.796 6.179 1.00 0.00 C ATOM 16 OD1 ASP A 2 -10.147 14.115 6.378 1.00 0.00 O ATOM 17 OD2 ASP A 2 -9.080 16.012 5.897 1.00 0.00 O ATOM 0 H ASP A 2 -8.162 11.378 5.888 1.00 0.00 H new ATOM 0 HA ASP A 2 -7.841 13.740 4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.737 13.470 7.157 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.973 14.804 6.316 1.00 0.00 H new ATOM 22 N VAL A 3 -5.281 13.680 4.380 1.00 0.00 N ATOM 23 CA VAL A 3 -3.848 13.439 4.293 1.00 0.00 C ATOM 24 C VAL A 3 -3.215 13.478 5.677 1.00 0.00 C ATOM 25 O VAL A 3 -2.315 12.692 5.956 1.00 0.00 O ATOM 26 CB VAL A 3 -3.153 14.387 3.294 1.00 0.00 C ATOM 27 CG1 VAL A 3 -3.515 15.866 3.480 1.00 0.00 C ATOM 28 CG2 VAL A 3 -1.626 14.240 3.382 1.00 0.00 C ATOM 0 H VAL A 3 -5.579 14.585 4.016 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.701 12.436 3.893 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.518 14.085 2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.986 16.466 2.740 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.590 15.997 3.352 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.227 16.188 4.481 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.154 14.917 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.294 14.486 4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.345 13.213 3.148 1.00 0.00 H new ATOM 38 N GLU A 4 -3.667 14.384 6.544 1.00 0.00 N ATOM 39 CA GLU A 4 -3.083 14.537 7.864 1.00 0.00 C ATOM 40 C GLU A 4 -3.317 13.258 8.655 1.00 0.00 C ATOM 41 O GLU A 4 -2.379 12.590 9.089 1.00 0.00 O ATOM 42 CB GLU A 4 -3.689 15.747 8.582 1.00 0.00 C ATOM 43 CG GLU A 4 -3.396 17.052 7.835 1.00 0.00 C ATOM 44 CD GLU A 4 -3.439 18.224 8.805 1.00 0.00 C ATOM 45 OE1 GLU A 4 -4.563 18.576 9.218 1.00 0.00 O ATOM 46 OE2 GLU A 4 -2.338 18.707 9.148 1.00 0.00 O ATOM 0 H GLU A 4 -4.439 15.022 6.349 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.011 14.713 7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.767 15.614 8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.288 15.809 9.594 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.416 16.997 7.360 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.128 17.199 7.041 1.00 0.00 H new ATOM 53 N LYS A 5 -4.594 12.909 8.808 1.00 0.00 N ATOM 54 CA LYS A 5 -4.973 11.713 9.533 1.00 0.00 C ATOM 55 C LYS A 5 -4.458 10.498 8.777 1.00 0.00 C ATOM 56 O LYS A 5 -3.863 9.628 9.399 1.00 0.00 O ATOM 57 CB LYS A 5 -6.491 11.669 9.740 1.00 0.00 C ATOM 58 CG LYS A 5 -6.918 12.556 10.918 1.00 0.00 C ATOM 59 CD LYS A 5 -6.979 11.723 12.207 1.00 0.00 C ATOM 60 CE LYS A 5 -7.188 12.623 13.434 1.00 0.00 C ATOM 61 NZ LYS A 5 -7.616 11.854 14.622 1.00 0.00 N ATOM 0 H LYS A 5 -5.379 13.443 8.436 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.524 11.716 10.526 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.994 12.000 8.831 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.806 10.642 9.922 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.213 13.378 11.039 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.893 13.000 10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.792 11.000 12.139 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.056 11.155 12.321 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.261 13.150 13.659 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.937 13.381 13.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.745 12.501 15.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.514 11.371 14.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.890 11.148 14.859 1.00 0.00 H new ATOM 75 N GLY A 6 -4.611 10.450 7.452 1.00 0.00 N ATOM 76 CA GLY A 6 -4.127 9.328 6.662 1.00 0.00 C ATOM 77 C GLY A 6 -2.651 9.069 6.919 1.00 0.00 C ATOM 78 O GLY A 6 -2.296 7.969 7.323 1.00 0.00 O ATOM 0 H GLY A 6 -5.069 11.180 6.907 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.703 8.435 6.904 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.284 9.531 5.603 1.00 0.00 H new ATOM 82 N LYS A 7 -1.784 10.063 6.722 1.00 0.00 N ATOM 83 CA LYS A 7 -0.351 9.856 6.863 1.00 0.00 C ATOM 84 C LYS A 7 0.047 9.531 8.295 1.00 0.00 C ATOM 85 O LYS A 7 0.971 8.754 8.531 1.00 0.00 O ATOM 86 CB LYS A 7 0.460 10.971 6.207 1.00 0.00 C ATOM 87 CG LYS A 7 0.650 12.177 7.105 1.00 0.00 C ATOM 88 CD LYS A 7 1.434 13.236 6.324 1.00 0.00 C ATOM 89 CE LYS A 7 1.569 14.540 7.118 1.00 0.00 C ATOM 90 NZ LYS A 7 2.787 15.280 6.723 1.00 0.00 N ATOM 0 H LYS A 7 -2.052 11.013 6.466 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.090 8.960 6.299 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.437 10.581 5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.039 11.284 5.290 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.316 12.573 7.419 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.188 11.896 8.010 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.425 12.852 6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.932 13.436 5.377 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.691 15.164 6.951 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.604 14.318 8.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.854 16.158 7.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.625 14.692 6.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.740 15.511 5.710 1.00 0.00 H new ATOM 104 N LYS A 8 -0.661 10.122 9.254 1.00 0.00 N ATOM 105 CA LYS A 8 -0.354 9.949 10.658 1.00 0.00 C ATOM 106 C LYS A 8 -0.667 8.511 11.057 1.00 0.00 C ATOM 107 O LYS A 8 0.152 7.831 11.675 1.00 0.00 O ATOM 108 CB LYS A 8 -1.168 10.973 11.459 1.00 0.00 C ATOM 109 CG LYS A 8 -0.966 10.953 12.979 1.00 0.00 C ATOM 110 CD LYS A 8 0.329 11.634 13.446 1.00 0.00 C ATOM 111 CE LYS A 8 1.578 10.741 13.323 1.00 0.00 C ATOM 112 NZ LYS A 8 2.636 11.113 14.287 1.00 0.00 N ATOM 0 H LYS A 8 -1.459 10.731 9.074 1.00 0.00 H new ATOM 0 HA LYS A 8 0.702 10.123 10.865 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.921 11.970 11.093 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.225 10.810 11.251 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.815 11.445 13.455 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.964 9.918 13.321 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.483 12.541 12.862 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.213 11.940 14.486 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.294 9.701 13.483 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.973 10.811 12.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.455 10.483 14.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.928 12.097 14.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.271 11.021 15.256 1.00 0.00 H new ATOM 126 N ILE A 9 -1.867 8.059 10.702 1.00 0.00 N ATOM 127 CA ILE A 9 -2.385 6.755 11.048 1.00 0.00 C ATOM 128 C ILE A 9 -1.584 5.714 10.272 1.00 0.00 C ATOM 129 O ILE A 9 -1.162 4.704 10.825 1.00 0.00 O ATOM 130 CB ILE A 9 -3.883 6.756 10.715 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.641 7.645 11.721 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.445 5.339 10.751 1.00 0.00 C ATOM 133 CD1 ILE A 9 -6.099 7.888 11.316 1.00 0.00 C ATOM 0 H ILE A 9 -2.520 8.614 10.148 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.283 6.513 12.106 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.014 7.154 9.709 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.615 7.176 12.705 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.129 8.603 11.811 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.508 5.363 10.512 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.923 4.722 10.020 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.306 4.918 11.747 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.583 8.520 12.061 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.129 8.383 10.345 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.623 6.934 11.254 1.00 0.00 H new ATOM 145 N PHE A 10 -1.336 5.993 8.995 1.00 0.00 N ATOM 146 CA PHE A 10 -0.439 5.227 8.158 1.00 0.00 C ATOM 147 C PHE A 10 0.874 4.986 8.877 1.00 0.00 C ATOM 148 O PHE A 10 1.181 3.857 9.227 1.00 0.00 O ATOM 149 CB PHE A 10 -0.215 5.990 6.848 1.00 0.00 C ATOM 150 CG PHE A 10 0.883 5.461 5.966 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.641 4.366 5.135 1.00 0.00 C ATOM 152 CD2 PHE A 10 2.187 5.956 6.099 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.706 3.724 4.495 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.260 5.301 5.489 1.00 0.00 C ATOM 155 CZ PHE A 10 3.017 4.170 4.695 1.00 0.00 C ATOM 0 H PHE A 10 -1.768 6.779 8.509 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.878 4.254 7.936 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.146 5.984 6.281 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.006 7.030 7.088 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.369 4.014 4.986 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.364 6.851 6.677 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.516 2.882 3.845 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.268 5.662 5.628 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.842 3.644 4.238 1.00 0.00 H new ATOM 165 N VAL A 11 1.653 6.031 9.142 1.00 0.00 N ATOM 166 CA VAL A 11 2.922 5.858 9.814 1.00 0.00 C ATOM 167 C VAL A 11 2.742 5.117 11.154 1.00 0.00 C ATOM 168 O VAL A 11 3.614 4.348 11.549 1.00 0.00 O ATOM 169 CB VAL A 11 3.651 7.215 9.888 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.576 7.340 11.098 1.00 0.00 C ATOM 171 CG2 VAL A 11 4.456 7.530 8.616 1.00 0.00 C ATOM 0 H VAL A 11 1.424 6.995 8.901 1.00 0.00 H new ATOM 0 HA VAL A 11 3.580 5.203 9.243 1.00 0.00 H new ATOM 0 HB VAL A 11 2.846 7.943 9.990 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.057 8.318 11.089 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.995 7.230 12.013 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.337 6.561 11.056 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.947 8.497 8.726 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.208 6.757 8.461 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.784 7.560 7.758 1.00 0.00 H new ATOM 181 N GLN A 12 1.601 5.292 11.830 1.00 0.00 N ATOM 182 CA GLN A 12 1.301 4.576 13.063 1.00 0.00 C ATOM 183 C GLN A 12 1.232 3.042 12.905 1.00 0.00 C ATOM 184 O GLN A 12 1.470 2.356 13.897 1.00 0.00 O ATOM 185 CB GLN A 12 0.032 5.154 13.717 1.00 0.00 C ATOM 186 CG GLN A 12 -0.043 4.903 15.234 1.00 0.00 C ATOM 187 CD GLN A 12 -1.194 4.007 15.703 1.00 0.00 C ATOM 188 OE1 GLN A 12 -2.033 3.529 14.932 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.262 3.805 17.016 1.00 0.00 N ATOM 0 H GLN A 12 0.865 5.933 11.534 1.00 0.00 H new ATOM 0 HA GLN A 12 2.147 4.738 13.732 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.007 6.227 13.532 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.845 4.716 13.240 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.897 4.455 15.556 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.127 5.865 15.739 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.557 4.210 17.632 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.019 3.245 17.407 1.00 0.00 H new ATOM 198 N LYS A 13 0.893 2.487 11.727 1.00 0.00 N ATOM 199 CA LYS A 13 0.780 1.027 11.553 1.00 0.00 C ATOM 200 C LYS A 13 1.286 0.433 10.230 1.00 0.00 C ATOM 201 O LYS A 13 1.262 -0.786 10.070 1.00 0.00 O ATOM 202 CB LYS A 13 -0.654 0.561 11.821 1.00 0.00 C ATOM 203 CG LYS A 13 -1.686 1.197 10.887 1.00 0.00 C ATOM 204 CD LYS A 13 -2.533 2.188 11.678 1.00 0.00 C ATOM 205 CE LYS A 13 -3.548 1.484 12.585 1.00 0.00 C ATOM 206 NZ LYS A 13 -4.165 2.447 13.512 1.00 0.00 N ATOM 0 H LYS A 13 0.693 3.025 10.884 1.00 0.00 H new ATOM 0 HA LYS A 13 1.474 0.636 12.297 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.701 -0.523 11.717 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.917 0.794 12.853 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.185 1.705 10.063 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.320 0.427 10.448 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.882 2.818 12.284 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.060 2.846 10.987 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.319 1.009 11.978 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.054 0.693 13.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.838 1.951 14.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.426 2.894 14.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.668 3.178 12.969 1.00 0.00 H new ATOM 220 N CYS A 14 1.736 1.252 9.284 1.00 0.00 N ATOM 221 CA CYS A 14 2.117 0.840 7.938 1.00 0.00 C ATOM 222 C CYS A 14 3.618 1.087 7.766 1.00 0.00 C ATOM 223 O CYS A 14 4.329 0.227 7.258 1.00 0.00 O ATOM 224 CB CYS A 14 1.361 1.610 6.878 1.00 0.00 C ATOM 225 SG CYS A 14 -0.455 1.762 7.007 1.00 0.00 S ATOM 0 H CYS A 14 1.849 2.254 9.439 1.00 0.00 H new ATOM 0 HA CYS A 14 1.874 -0.216 7.816 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.773 2.619 6.850 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.583 1.148 5.916 1.00 0.00 H new ATOM 230 N ALA A 15 4.112 2.255 8.202 1.00 0.00 N ATOM 231 CA ALA A 15 5.511 2.662 8.057 1.00 0.00 C ATOM 232 C ALA A 15 6.514 1.645 8.578 1.00 0.00 C ATOM 233 O ALA A 15 7.601 1.543 8.021 1.00 0.00 O ATOM 234 CB ALA A 15 5.770 3.994 8.735 1.00 0.00 C ATOM 0 H ALA A 15 3.537 2.954 8.673 1.00 0.00 H new ATOM 0 HA ALA A 15 5.662 2.745 6.981 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.817 4.269 8.610 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.138 4.760 8.286 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.541 3.912 9.798 1.00 0.00 H new ATOM 240 N GLN A 16 6.165 0.901 9.630 1.00 0.00 N ATOM 241 CA GLN A 16 6.968 -0.212 10.112 1.00 0.00 C ATOM 242 C GLN A 16 7.494 -1.076 8.954 1.00 0.00 C ATOM 243 O GLN A 16 8.629 -1.548 8.993 1.00 0.00 O ATOM 244 CB GLN A 16 6.158 -1.025 11.133 1.00 0.00 C ATOM 245 CG GLN A 16 4.766 -1.476 10.654 1.00 0.00 C ATOM 246 CD GLN A 16 4.104 -2.442 11.635 1.00 0.00 C ATOM 247 OE1 GLN A 16 4.768 -3.066 12.456 1.00 0.00 O ATOM 248 NE2 GLN A 16 2.783 -2.583 11.570 1.00 0.00 N ATOM 0 H GLN A 16 5.314 1.059 10.169 1.00 0.00 H new ATOM 0 HA GLN A 16 7.852 0.179 10.615 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.734 -1.908 11.409 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.038 -0.427 12.037 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.128 -0.602 10.521 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.857 -1.956 9.679 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.247 -2.056 10.881 1.00 0.00 H new ATOM 0 HE22 GLN A 16 2.306 -3.218 12.210 1.00 0.00 H new ATOM 257 N CYS A 17 6.665 -1.251 7.922 1.00 0.00 N ATOM 258 CA CYS A 17 6.961 -1.983 6.707 1.00 0.00 C ATOM 259 C CYS A 17 7.225 -1.028 5.523 1.00 0.00 C ATOM 260 O CYS A 17 8.001 -1.379 4.633 1.00 0.00 O ATOM 261 CB CYS A 17 5.818 -2.928 6.428 1.00 0.00 C ATOM 262 SG CYS A 17 5.507 -4.059 7.829 1.00 0.00 S ATOM 0 H CYS A 17 5.722 -0.862 7.920 1.00 0.00 H new ATOM 0 HA CYS A 17 7.877 -2.559 6.838 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.916 -2.354 6.219 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.039 -3.511 5.534 1.00 0.00 H new ATOM 267 N HIS A 18 6.598 0.161 5.494 1.00 0.00 N ATOM 268 CA HIS A 18 6.543 1.047 4.328 1.00 0.00 C ATOM 269 C HIS A 18 6.968 2.478 4.648 1.00 0.00 C ATOM 270 O HIS A 18 6.119 3.355 4.789 1.00 0.00 O ATOM 271 CB HIS A 18 5.095 1.114 3.838 1.00 0.00 C ATOM 272 CG HIS A 18 4.592 -0.160 3.255 1.00 0.00 C ATOM 273 ND1 HIS A 18 4.809 -0.555 1.962 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.564 -0.902 3.760 1.00 0.00 C ATOM 275 CE1 HIS A 18 3.928 -1.521 1.692 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.167 -1.792 2.755 1.00 0.00 N ATOM 0 H HIS A 18 6.105 0.538 6.303 1.00 0.00 H new ATOM 0 HA HIS A 18 7.227 0.638 3.584 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.453 1.398 4.672 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.012 1.902 3.089 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.512 -0.181 1.325 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.137 -0.818 4.749 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.842 -2.019 0.737 1.00 0.00 H new ATOM 284 N THR A 19 8.257 2.789 4.705 1.00 0.00 N ATOM 285 CA THR A 19 8.678 4.131 5.082 1.00 0.00 C ATOM 286 C THR A 19 8.618 5.134 3.908 1.00 0.00 C ATOM 287 O THR A 19 9.583 5.856 3.652 1.00 0.00 O ATOM 288 CB THR A 19 10.055 4.011 5.737 1.00 0.00 C ATOM 289 OG1 THR A 19 10.912 3.241 4.917 1.00 0.00 O ATOM 290 CG2 THR A 19 9.977 3.300 7.091 1.00 0.00 C ATOM 0 H THR A 19 9.018 2.142 4.499 1.00 0.00 H new ATOM 0 HA THR A 19 7.980 4.559 5.802 1.00 0.00 H new ATOM 0 HB THR A 19 10.431 5.025 5.872 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.971 3.651 4.029 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.975 3.234 7.525 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.326 3.863 7.760 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.574 2.297 6.952 1.00 0.00 H new ATOM 298 N VAL A 20 7.465 5.236 3.226 1.00 0.00 N ATOM 299 CA VAL A 20 7.180 6.215 2.188 1.00 0.00 C ATOM 300 C VAL A 20 7.076 7.619 2.802 1.00 0.00 C ATOM 301 O VAL A 20 5.992 8.180 2.967 1.00 0.00 O ATOM 302 CB VAL A 20 5.955 5.784 1.364 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.643 5.718 2.150 1.00 0.00 C ATOM 304 CG2 VAL A 20 5.780 6.695 0.149 1.00 0.00 C ATOM 0 H VAL A 20 6.680 4.608 3.397 1.00 0.00 H new ATOM 0 HA VAL A 20 8.004 6.263 1.476 1.00 0.00 H new ATOM 0 HB VAL A 20 6.170 4.762 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.837 5.406 1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.742 5.000 2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.415 6.702 2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.909 6.376 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.638 7.723 0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.668 6.637 -0.480 1.00 0.00 H new ATOM 314 N GLU A 21 8.237 8.168 3.161 1.00 0.00 N ATOM 315 CA GLU A 21 8.407 9.524 3.657 1.00 0.00 C ATOM 316 C GLU A 21 9.892 9.896 3.614 1.00 0.00 C ATOM 317 O GLU A 21 10.243 10.995 3.190 1.00 0.00 O ATOM 318 CB GLU A 21 7.821 9.674 5.076 1.00 0.00 C ATOM 319 CG GLU A 21 7.444 11.136 5.363 1.00 0.00 C ATOM 320 CD GLU A 21 6.965 11.346 6.796 1.00 0.00 C ATOM 321 OE1 GLU A 21 7.740 10.966 7.704 1.00 0.00 O ATOM 322 OE2 GLU A 21 5.853 11.896 6.963 1.00 0.00 O ATOM 0 H GLU A 21 9.117 7.655 3.110 1.00 0.00 H new ATOM 0 HA GLU A 21 7.857 10.213 3.016 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.940 9.040 5.179 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.548 9.331 5.812 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.308 11.774 5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.661 11.448 4.672 1.00 0.00 H new ATOM 329 N LYS A 22 10.771 8.986 4.058 1.00 0.00 N ATOM 330 CA LYS A 22 12.213 9.208 4.086 1.00 0.00 C ATOM 331 C LYS A 22 12.931 8.233 3.151 1.00 0.00 C ATOM 332 O LYS A 22 12.315 7.343 2.564 1.00 0.00 O ATOM 333 CB LYS A 22 12.729 9.087 5.528 1.00 0.00 C ATOM 334 CG LYS A 22 11.852 9.887 6.502 1.00 0.00 C ATOM 335 CD LYS A 22 12.688 10.442 7.659 1.00 0.00 C ATOM 336 CE LYS A 22 11.762 11.034 8.732 1.00 0.00 C ATOM 337 NZ LYS A 22 12.487 11.920 9.664 1.00 0.00 N ATOM 0 H LYS A 22 10.493 8.070 4.409 1.00 0.00 H new ATOM 0 HA LYS A 22 12.425 10.216 3.728 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.743 8.038 5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.757 9.447 5.580 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.367 10.707 5.972 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.060 9.248 6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.300 9.650 8.090 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.371 11.208 7.292 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.961 11.594 8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.293 10.225 9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.824 12.297 10.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.235 11.381 10.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.913 12.707 9.134 1.00 0.00 H new ATOM 351 N GLY A 23 14.256 8.372 3.049 1.00 0.00 N ATOM 352 CA GLY A 23 15.115 7.495 2.268 1.00 0.00 C ATOM 353 C GLY A 23 15.318 6.176 3.006 1.00 0.00 C ATOM 354 O GLY A 23 16.431 5.848 3.410 1.00 0.00 O ATOM 0 H GLY A 23 14.768 9.118 3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 23 14.669 7.310 1.291 1.00 0.00 H new ATOM 0 HA3 GLY A 23 16.077 7.976 2.093 1.00 0.00 H new ATOM 358 N GLY A 24 14.223 5.440 3.201 1.00 0.00 N ATOM 359 CA GLY A 24 14.235 4.131 3.821 1.00 0.00 C ATOM 360 C GLY A 24 14.716 3.078 2.828 1.00 0.00 C ATOM 361 O GLY A 24 15.610 3.327 2.021 1.00 0.00 O ATOM 0 H GLY A 24 13.291 5.750 2.925 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.887 4.141 4.695 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.235 3.879 4.173 1.00 0.00 H new ATOM 365 N LYS A 25 14.109 1.892 2.875 1.00 0.00 N ATOM 366 CA LYS A 25 14.416 0.787 1.982 1.00 0.00 C ATOM 367 C LYS A 25 13.123 0.019 1.720 1.00 0.00 C ATOM 368 O LYS A 25 12.053 0.446 2.146 1.00 0.00 O ATOM 369 CB LYS A 25 15.510 -0.119 2.594 1.00 0.00 C ATOM 370 CG LYS A 25 16.672 -0.373 1.618 1.00 0.00 C ATOM 371 CD LYS A 25 17.768 0.684 1.818 1.00 0.00 C ATOM 372 CE LYS A 25 18.780 0.695 0.666 1.00 0.00 C ATOM 373 NZ LYS A 25 19.837 1.706 0.883 1.00 0.00 N ATOM 0 H LYS A 25 13.376 1.674 3.550 1.00 0.00 H new ATOM 0 HA LYS A 25 14.812 1.158 1.036 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.896 0.344 3.502 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.068 -1.072 2.885 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.083 -1.370 1.780 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.308 -0.342 0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.309 1.669 1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 25 18.289 0.491 2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 25 19.233 -0.292 0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 25 18.264 0.902 -0.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.505 1.687 0.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.406 2.650 0.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 20.345 1.493 1.765 1.00 0.00 H new ATOM 387 N HIS A 26 13.244 -1.118 1.034 1.00 0.00 N ATOM 388 CA HIS A 26 12.161 -2.046 0.779 1.00 0.00 C ATOM 389 C HIS A 26 12.574 -3.334 1.487 1.00 0.00 C ATOM 390 O HIS A 26 13.704 -3.778 1.287 1.00 0.00 O ATOM 391 CB HIS A 26 12.010 -2.268 -0.731 1.00 0.00 C ATOM 392 CG HIS A 26 11.937 -1.006 -1.564 1.00 0.00 C ATOM 393 ND1 HIS A 26 12.918 -0.041 -1.650 1.00 0.00 N ATOM 394 CD2 HIS A 26 10.957 -0.660 -2.458 1.00 0.00 C ATOM 395 CE1 HIS A 26 12.513 0.886 -2.532 1.00 0.00 C ATOM 396 NE2 HIS A 26 11.321 0.553 -3.048 1.00 0.00 N ATOM 0 H HIS A 26 14.131 -1.421 0.631 1.00 0.00 H new ATOM 0 HA HIS A 26 11.199 -1.682 1.140 1.00 0.00 H new ATOM 0 HB2 HIS A 26 12.852 -2.866 -1.080 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.108 -2.853 -0.908 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.061 -1.225 -2.669 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.069 1.775 -2.790 1.00 0.00 H new ATOM 0 HE2 HIS A 26 10.785 1.082 -3.736 1.00 0.00 H new ATOM 404 N LYS A 27 11.732 -3.878 2.368 1.00 0.00 N ATOM 405 CA LYS A 27 12.109 -5.029 3.189 1.00 0.00 C ATOM 406 C LYS A 27 10.889 -5.897 3.487 1.00 0.00 C ATOM 407 O LYS A 27 10.627 -6.860 2.778 1.00 0.00 O ATOM 408 CB LYS A 27 12.873 -4.591 4.457 1.00 0.00 C ATOM 409 CG LYS A 27 12.420 -3.235 5.025 1.00 0.00 C ATOM 410 CD LYS A 27 12.863 -3.004 6.479 1.00 0.00 C ATOM 411 CE LYS A 27 14.386 -2.870 6.647 1.00 0.00 C ATOM 412 NZ LYS A 27 15.045 -4.153 6.964 1.00 0.00 N ATOM 0 H LYS A 27 10.784 -3.539 2.531 1.00 0.00 H new ATOM 0 HA LYS A 27 12.805 -5.650 2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.749 -5.354 5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.937 -4.540 4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.819 -2.436 4.400 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.333 -3.171 4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.384 -2.101 6.856 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.510 -3.832 7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.813 -2.465 5.730 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.597 -2.153 7.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.055 -3.988 7.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.602 -4.572 7.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.942 -4.804 6.160 1.00 0.00 H new ATOM 426 N THR A 28 10.127 -5.557 4.525 1.00 0.00 N ATOM 427 CA THR A 28 8.865 -6.209 4.832 1.00 0.00 C ATOM 428 C THR A 28 7.725 -5.544 4.056 1.00 0.00 C ATOM 429 O THR A 28 6.568 -5.823 4.336 1.00 0.00 O ATOM 430 CB THR A 28 8.636 -6.134 6.352 1.00 0.00 C ATOM 431 OG1 THR A 28 9.888 -6.192 7.013 1.00 0.00 O ATOM 432 CG2 THR A 28 7.763 -7.287 6.861 1.00 0.00 C ATOM 0 H THR A 28 10.374 -4.815 5.179 1.00 0.00 H new ATOM 0 HA THR A 28 8.893 -7.256 4.529 1.00 0.00 H new ATOM 0 HB THR A 28 8.121 -5.197 6.563 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.749 -6.143 7.982 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.628 -7.193 7.939 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.791 -7.252 6.369 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.248 -8.237 6.638 1.00 0.00 H new ATOM 440 N GLY A 29 8.028 -4.659 3.104 1.00 0.00 N ATOM 441 CA GLY A 29 7.068 -3.823 2.428 1.00 0.00 C ATOM 442 C GLY A 29 7.882 -2.991 1.441 1.00 0.00 C ATOM 443 O GLY A 29 9.030 -2.655 1.750 1.00 0.00 O ATOM 0 H GLY A 29 8.984 -4.509 2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.318 -4.423 1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.535 -3.186 3.134 1.00 0.00 H new ATOM 447 N PRO A 30 7.352 -2.728 0.241 1.00 0.00 N ATOM 448 CA PRO A 30 7.956 -1.841 -0.736 1.00 0.00 C ATOM 449 C PRO A 30 7.621 -0.389 -0.400 1.00 0.00 C ATOM 450 O PRO A 30 6.470 -0.078 -0.110 1.00 0.00 O ATOM 451 CB PRO A 30 7.338 -2.227 -2.083 1.00 0.00 C ATOM 452 CG PRO A 30 5.994 -2.847 -1.699 1.00 0.00 C ATOM 453 CD PRO A 30 6.201 -3.417 -0.302 1.00 0.00 C ATOM 0 HA PRO A 30 9.042 -1.932 -0.750 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.209 -1.358 -2.728 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.966 -2.935 -2.624 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.200 -2.100 -1.706 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.705 -3.627 -2.403 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.320 -3.256 0.320 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.372 -4.493 -0.340 1.00 0.00 H new ATOM 461 N ASN A 31 8.592 0.524 -0.482 1.00 0.00 N ATOM 462 CA ASN A 31 8.296 1.951 -0.445 1.00 0.00 C ATOM 463 C ASN A 31 7.275 2.269 -1.545 1.00 0.00 C ATOM 464 O ASN A 31 7.501 1.938 -2.708 1.00 0.00 O ATOM 465 CB ASN A 31 9.593 2.750 -0.622 1.00 0.00 C ATOM 466 CG ASN A 31 9.382 4.254 -0.450 1.00 0.00 C ATOM 467 OD1 ASN A 31 8.383 4.811 -0.890 1.00 0.00 O ATOM 468 ND2 ASN A 31 10.321 4.934 0.200 1.00 0.00 N ATOM 0 H ASN A 31 9.583 0.299 -0.574 1.00 0.00 H new ATOM 0 HA ASN A 31 7.866 2.232 0.517 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.330 2.405 0.103 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.004 2.555 -1.613 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.218 5.939 0.341 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.145 4.451 0.558 1.00 0.00 H new ATOM 475 N LEU A 32 6.145 2.877 -1.177 1.00 0.00 N ATOM 476 CA LEU A 32 4.997 3.108 -2.047 1.00 0.00 C ATOM 477 C LEU A 32 5.259 4.288 -2.994 1.00 0.00 C ATOM 478 O LEU A 32 4.465 5.226 -3.080 1.00 0.00 O ATOM 479 CB LEU A 32 3.762 3.358 -1.167 1.00 0.00 C ATOM 480 CG LEU A 32 3.507 2.275 -0.106 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.294 2.649 0.751 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.258 0.911 -0.748 1.00 0.00 C ATOM 0 H LEU A 32 6.002 3.233 -0.232 1.00 0.00 H new ATOM 0 HA LEU A 32 4.823 2.233 -2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.876 4.320 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.884 3.435 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 32 4.399 2.212 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.124 1.874 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.480 3.600 1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.413 2.739 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.081 0.169 0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.385 0.969 -1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.129 0.621 -1.335 1.00 0.00 H new ATOM 494 N HIS A 33 6.383 4.254 -3.713 1.00 0.00 N ATOM 495 CA HIS A 33 6.986 5.414 -4.358 1.00 0.00 C ATOM 496 C HIS A 33 6.361 5.667 -5.739 1.00 0.00 C ATOM 497 O HIS A 33 7.056 5.835 -6.742 1.00 0.00 O ATOM 498 CB HIS A 33 8.508 5.182 -4.399 1.00 0.00 C ATOM 499 CG HIS A 33 9.338 6.433 -4.295 1.00 0.00 C ATOM 500 ND1 HIS A 33 10.413 6.755 -5.093 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.308 7.334 -3.261 1.00 0.00 C ATOM 502 CE1 HIS A 33 11.000 7.842 -4.561 1.00 0.00 C ATOM 503 NE2 HIS A 33 10.365 8.229 -3.444 1.00 0.00 N ATOM 0 H HIS A 33 6.910 3.394 -3.865 1.00 0.00 H new ATOM 0 HA HIS A 33 6.790 6.326 -3.795 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.782 4.512 -3.584 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.759 4.672 -5.329 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.595 7.349 -2.450 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.865 8.337 -4.977 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.606 9.020 -2.847 1.00 0.00 H new ATOM 511 N GLY A 34 5.027 5.689 -5.786 1.00 0.00 N ATOM 512 CA GLY A 34 4.251 5.682 -7.013 1.00 0.00 C ATOM 513 C GLY A 34 3.429 4.400 -7.084 1.00 0.00 C ATOM 514 O GLY A 34 3.927 3.370 -7.526 1.00 0.00 O ATOM 0 H GLY A 34 4.448 5.713 -4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.594 6.551 -7.046 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.913 5.751 -7.876 1.00 0.00 H new ATOM 518 N LEU A 35 2.168 4.487 -6.657 1.00 0.00 N ATOM 519 CA LEU A 35 1.162 3.443 -6.756 1.00 0.00 C ATOM 520 C LEU A 35 0.228 3.819 -7.905 1.00 0.00 C ATOM 521 O LEU A 35 0.392 3.323 -9.013 1.00 0.00 O ATOM 522 CB LEU A 35 0.395 3.328 -5.430 1.00 0.00 C ATOM 523 CG LEU A 35 1.195 2.701 -4.284 1.00 0.00 C ATOM 524 CD1 LEU A 35 0.410 2.967 -2.994 1.00 0.00 C ATOM 525 CD2 LEU A 35 1.373 1.194 -4.506 1.00 0.00 C ATOM 0 H LEU A 35 1.809 5.332 -6.212 1.00 0.00 H new ATOM 0 HA LEU A 35 1.618 2.473 -6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.069 4.323 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.504 2.734 -5.596 1.00 0.00 H new ATOM 0 HG LEU A 35 2.193 3.136 -4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.945 2.536 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.304 4.042 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.578 2.512 -3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.944 0.770 -3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.395 0.715 -4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.907 1.025 -5.441 1.00 0.00 H new ATOM 537 N PHE A 36 -0.719 4.728 -7.647 1.00 0.00 N ATOM 538 CA PHE A 36 -1.668 5.253 -8.620 1.00 0.00 C ATOM 539 C PHE A 36 -1.005 5.506 -9.971 1.00 0.00 C ATOM 540 O PHE A 36 -0.136 6.370 -10.077 1.00 0.00 O ATOM 541 CB PHE A 36 -2.311 6.528 -8.057 1.00 0.00 C ATOM 542 CG PHE A 36 -3.100 6.292 -6.781 1.00 0.00 C ATOM 543 CD1 PHE A 36 -4.359 5.674 -6.854 1.00 0.00 C ATOM 544 CD2 PHE A 36 -2.533 6.567 -5.521 1.00 0.00 C ATOM 545 CE1 PHE A 36 -5.039 5.322 -5.678 1.00 0.00 C ATOM 546 CE2 PHE A 36 -3.198 6.171 -4.346 1.00 0.00 C ATOM 547 CZ PHE A 36 -4.467 5.575 -4.425 1.00 0.00 C ATOM 0 H PHE A 36 -0.845 5.130 -6.718 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.447 4.510 -8.794 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.531 7.264 -7.862 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.972 6.956 -8.811 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.804 5.469 -7.816 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.586 7.083 -5.457 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.010 4.853 -5.740 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.733 6.325 -3.384 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.000 5.313 -3.523 1.00 0.00 H new ATOM 557 N GLY A 37 -1.395 4.739 -10.997 1.00 0.00 N ATOM 558 CA GLY A 37 -0.867 4.930 -12.346 1.00 0.00 C ATOM 559 C GLY A 37 0.366 4.070 -12.649 1.00 0.00 C ATOM 560 O GLY A 37 0.586 3.698 -13.803 1.00 0.00 O ATOM 0 H GLY A 37 -2.074 3.982 -10.915 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.649 4.698 -13.069 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.609 5.980 -12.481 1.00 0.00 H new ATOM 564 N ARG A 38 1.181 3.752 -11.641 1.00 0.00 N ATOM 565 CA ARG A 38 2.335 2.881 -11.771 1.00 0.00 C ATOM 566 C ARG A 38 1.828 1.440 -11.816 1.00 0.00 C ATOM 567 O ARG A 38 1.063 1.015 -10.952 1.00 0.00 O ATOM 568 CB ARG A 38 3.297 3.090 -10.586 1.00 0.00 C ATOM 569 CG ARG A 38 4.632 3.727 -10.993 1.00 0.00 C ATOM 570 CD ARG A 38 4.492 5.205 -11.398 1.00 0.00 C ATOM 571 NE ARG A 38 5.254 6.085 -10.493 1.00 0.00 N ATOM 572 CZ ARG A 38 5.274 7.427 -10.543 1.00 0.00 C ATOM 573 NH1 ARG A 38 4.629 8.062 -11.530 1.00 0.00 N ATOM 574 NH2 ARG A 38 5.933 8.119 -9.608 1.00 0.00 N ATOM 0 H ARG A 38 1.048 4.105 -10.693 1.00 0.00 H new ATOM 0 HA ARG A 38 2.887 3.109 -12.683 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.813 3.722 -9.841 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.491 2.129 -10.111 1.00 0.00 H new ATOM 0 HG2 ARG A 38 5.334 3.648 -10.163 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.057 3.166 -11.825 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.845 5.339 -12.421 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.440 5.490 -11.384 1.00 0.00 H new ATOM 0 HE ARG A 38 5.813 5.637 -9.767 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.126 7.527 -12.238 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.640 9.081 -11.574 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.420 7.628 -8.858 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.949 9.138 -9.645 1.00 0.00 H new ATOM 588 N LYS A 39 2.244 0.686 -12.833 1.00 0.00 N ATOM 589 CA LYS A 39 1.939 -0.733 -12.905 1.00 0.00 C ATOM 590 C LYS A 39 2.824 -1.527 -11.938 1.00 0.00 C ATOM 591 O LYS A 39 4.038 -1.336 -11.935 1.00 0.00 O ATOM 592 CB LYS A 39 2.030 -1.261 -14.345 1.00 0.00 C ATOM 593 CG LYS A 39 0.781 -0.936 -15.185 1.00 0.00 C ATOM 594 CD LYS A 39 0.953 0.290 -16.090 1.00 0.00 C ATOM 595 CE LYS A 39 -0.338 0.512 -16.895 1.00 0.00 C ATOM 596 NZ LYS A 39 -0.257 1.697 -17.775 1.00 0.00 N ATOM 0 H LYS A 39 2.793 1.039 -13.617 1.00 0.00 H new ATOM 0 HA LYS A 39 0.905 -0.873 -12.591 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.908 -0.832 -14.828 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.174 -2.341 -14.322 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.533 -1.800 -15.801 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.063 -0.768 -14.516 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.177 1.171 -15.489 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.796 0.142 -16.765 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.543 -0.372 -17.499 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.176 0.630 -16.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.151 1.804 -18.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.088 2.546 -17.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.525 1.575 -18.450 1.00 0.00 H new ATOM 610 N THR A 40 2.222 -2.405 -11.124 1.00 0.00 N ATOM 611 CA THR A 40 2.970 -3.314 -10.257 1.00 0.00 C ATOM 612 C THR A 40 3.394 -4.576 -11.026 1.00 0.00 C ATOM 613 O THR A 40 3.454 -4.589 -12.254 1.00 0.00 O ATOM 614 CB THR A 40 2.174 -3.614 -8.981 1.00 0.00 C ATOM 615 OG1 THR A 40 2.982 -4.325 -8.063 1.00 0.00 O ATOM 616 CG2 THR A 40 0.897 -4.422 -9.223 1.00 0.00 C ATOM 0 H THR A 40 1.209 -2.502 -11.051 1.00 0.00 H new ATOM 0 HA THR A 40 3.894 -2.831 -9.938 1.00 0.00 H new ATOM 0 HB THR A 40 1.877 -2.643 -8.584 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.077 -3.804 -7.239 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.390 -4.594 -8.274 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.238 -3.869 -9.892 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.153 -5.380 -9.676 1.00 0.00 H new ATOM 624 N GLY A 41 3.666 -5.652 -10.287 1.00 0.00 N ATOM 625 CA GLY A 41 4.074 -6.956 -10.780 1.00 0.00 C ATOM 626 C GLY A 41 5.572 -6.981 -11.131 1.00 0.00 C ATOM 627 O GLY A 41 6.078 -7.944 -11.720 1.00 0.00 O ATOM 0 H GLY A 41 3.602 -5.629 -9.269 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.863 -7.714 -10.026 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.488 -7.213 -11.662 1.00 0.00 H new ATOM 631 N GLN A 42 6.319 -5.942 -10.735 1.00 0.00 N ATOM 632 CA GLN A 42 7.694 -5.719 -11.148 1.00 0.00 C ATOM 633 C GLN A 42 8.299 -4.597 -10.294 1.00 0.00 C ATOM 634 O GLN A 42 8.052 -3.422 -10.544 1.00 0.00 O ATOM 635 CB GLN A 42 7.743 -5.379 -12.651 1.00 0.00 C ATOM 636 CG GLN A 42 9.169 -5.522 -13.200 1.00 0.00 C ATOM 637 CD GLN A 42 9.270 -5.127 -14.673 1.00 0.00 C ATOM 638 OE1 GLN A 42 8.273 -5.046 -15.381 1.00 0.00 O ATOM 639 NE2 GLN A 42 10.486 -4.886 -15.152 1.00 0.00 N ATOM 0 H GLN A 42 5.968 -5.222 -10.104 1.00 0.00 H new ATOM 0 HA GLN A 42 8.283 -6.623 -10.996 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.070 -6.039 -13.199 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.389 -4.360 -12.809 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.845 -4.900 -12.613 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.500 -6.554 -13.080 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.299 -4.961 -14.541 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.606 -4.626 -16.131 1.00 0.00 H new ATOM 648 N ALA A 43 9.101 -4.963 -9.292 1.00 0.00 N ATOM 649 CA ALA A 43 9.864 -4.033 -8.460 1.00 0.00 C ATOM 650 C ALA A 43 11.322 -4.507 -8.394 1.00 0.00 C ATOM 651 O ALA A 43 11.643 -5.344 -7.549 1.00 0.00 O ATOM 652 CB ALA A 43 9.235 -3.956 -7.067 1.00 0.00 C ATOM 0 H ALA A 43 9.241 -5.939 -9.031 1.00 0.00 H new ATOM 0 HA ALA A 43 9.844 -3.032 -8.890 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.805 -3.263 -6.448 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.206 -3.606 -7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.245 -4.945 -6.608 1.00 0.00 H new ATOM 658 N PRO A 44 12.206 -4.026 -9.284 1.00 0.00 N ATOM 659 CA PRO A 44 13.560 -4.545 -9.421 1.00 0.00 C ATOM 660 C PRO A 44 14.435 -4.163 -8.221 1.00 0.00 C ATOM 661 O PRO A 44 15.206 -3.209 -8.278 1.00 0.00 O ATOM 662 CB PRO A 44 14.082 -3.978 -10.748 1.00 0.00 C ATOM 663 CG PRO A 44 13.307 -2.672 -10.902 1.00 0.00 C ATOM 664 CD PRO A 44 11.947 -3.003 -10.289 1.00 0.00 C ATOM 0 HA PRO A 44 13.581 -5.635 -9.434 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.158 -3.806 -10.716 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.892 -4.658 -11.578 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.795 -1.849 -10.380 1.00 0.00 H new ATOM 0 HG3 PRO A 44 13.217 -2.377 -11.948 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.494 -2.119 -9.840 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.254 -3.366 -11.048 1.00 0.00 H new ATOM 672 N GLY A 45 14.333 -4.936 -7.137 1.00 0.00 N ATOM 673 CA GLY A 45 15.225 -4.828 -5.994 1.00 0.00 C ATOM 674 C GLY A 45 14.793 -5.794 -4.897 1.00 0.00 C ATOM 675 O GLY A 45 15.523 -6.714 -4.542 1.00 0.00 O ATOM 0 H GLY A 45 13.621 -5.659 -7.033 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.248 -5.047 -6.300 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.218 -3.807 -5.613 1.00 0.00 H new ATOM 679 N PHE A 46 13.589 -5.568 -4.371 1.00 0.00 N ATOM 680 CA PHE A 46 12.983 -6.346 -3.293 1.00 0.00 C ATOM 681 C PHE A 46 11.938 -7.301 -3.877 1.00 0.00 C ATOM 682 O PHE A 46 11.962 -8.497 -3.598 1.00 0.00 O ATOM 683 CB PHE A 46 12.415 -5.368 -2.247 1.00 0.00 C ATOM 684 CG PHE A 46 11.102 -5.736 -1.581 1.00 0.00 C ATOM 685 CD1 PHE A 46 11.039 -6.744 -0.599 1.00 0.00 C ATOM 686 CD2 PHE A 46 9.920 -5.090 -1.985 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.797 -7.092 -0.032 1.00 0.00 C ATOM 688 CE2 PHE A 46 8.689 -5.449 -1.420 1.00 0.00 C ATOM 689 CZ PHE A 46 8.629 -6.417 -0.409 1.00 0.00 C ATOM 0 H PHE A 46 12.988 -4.811 -4.696 1.00 0.00 H new ATOM 0 HA PHE A 46 13.716 -6.973 -2.786 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.164 -5.240 -1.465 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.287 -4.398 -2.728 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.940 -7.248 -0.282 1.00 0.00 H new ATOM 0 HD2 PHE A 46 9.961 -4.313 -2.734 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.745 -7.885 0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.781 -4.977 -1.766 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.690 -6.641 0.076 1.00 0.00 H new ATOM 699 N THR A 47 11.047 -6.755 -4.708 1.00 0.00 N ATOM 700 CA THR A 47 9.853 -7.409 -5.223 1.00 0.00 C ATOM 701 C THR A 47 9.042 -8.171 -4.172 1.00 0.00 C ATOM 702 O THR A 47 9.193 -7.962 -2.975 1.00 0.00 O ATOM 703 CB THR A 47 10.112 -8.152 -6.541 1.00 0.00 C ATOM 704 OG1 THR A 47 8.890 -8.264 -7.249 1.00 0.00 O ATOM 705 CG2 THR A 47 10.748 -9.530 -6.359 1.00 0.00 C ATOM 0 H THR A 47 11.148 -5.800 -5.053 1.00 0.00 H new ATOM 0 HA THR A 47 9.164 -6.610 -5.496 1.00 0.00 H new ATOM 0 HB THR A 47 10.838 -7.566 -7.105 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.850 -7.574 -7.944 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.900 -9.992 -7.334 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.708 -9.424 -5.854 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.090 -10.158 -5.758 1.00 0.00 H new ATOM 713 N TYR A 48 8.092 -8.984 -4.626 1.00 0.00 N ATOM 714 CA TYR A 48 7.080 -9.577 -3.768 1.00 0.00 C ATOM 715 C TYR A 48 6.708 -10.960 -4.277 1.00 0.00 C ATOM 716 O TYR A 48 7.227 -11.420 -5.294 1.00 0.00 O ATOM 717 CB TYR A 48 5.864 -8.643 -3.638 1.00 0.00 C ATOM 718 CG TYR A 48 5.730 -7.577 -4.708 1.00 0.00 C ATOM 719 CD1 TYR A 48 5.152 -7.863 -5.955 1.00 0.00 C ATOM 720 CD2 TYR A 48 6.269 -6.306 -4.470 1.00 0.00 C ATOM 721 CE1 TYR A 48 5.082 -6.861 -6.934 1.00 0.00 C ATOM 722 CE2 TYR A 48 6.320 -5.347 -5.499 1.00 0.00 C ATOM 723 CZ TYR A 48 5.736 -5.637 -6.746 1.00 0.00 C ATOM 724 OH TYR A 48 5.996 -4.859 -7.836 1.00 0.00 O ATOM 0 H TYR A 48 8.005 -9.249 -5.607 1.00 0.00 H new ATOM 0 HA TYR A 48 7.484 -9.703 -2.764 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.960 -9.252 -3.644 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.910 -8.151 -2.666 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.763 -8.850 -6.159 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.648 -6.060 -3.489 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.520 -7.035 -7.839 1.00 0.00 H new ATOM 0 HE2 TYR A 48 6.804 -4.396 -5.333 1.00 0.00 H new ATOM 0 HH TYR A 48 5.158 -4.484 -8.178 1.00 0.00 H new ATOM 734 N THR A 49 5.821 -11.617 -3.534 1.00 0.00 N ATOM 735 CA THR A 49 5.375 -12.970 -3.816 1.00 0.00 C ATOM 736 C THR A 49 4.781 -13.052 -5.215 1.00 0.00 C ATOM 737 O THR A 49 4.128 -12.106 -5.631 1.00 0.00 O ATOM 738 CB THR A 49 4.280 -13.357 -2.815 1.00 0.00 C ATOM 739 OG1 THR A 49 3.239 -12.396 -2.842 1.00 0.00 O ATOM 740 CG2 THR A 49 4.827 -13.438 -1.393 1.00 0.00 C ATOM 0 H THR A 49 5.387 -11.212 -2.705 1.00 0.00 H new ATOM 0 HA THR A 49 6.230 -13.641 -3.739 1.00 0.00 H new ATOM 0 HB THR A 49 3.902 -14.337 -3.106 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.472 -12.730 -2.332 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.024 -13.715 -0.710 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.616 -14.189 -1.349 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.232 -12.469 -1.103 1.00 0.00 H new ATOM 748 N ASP A 50 4.920 -14.197 -5.888 1.00 0.00 N ATOM 749 CA ASP A 50 4.267 -14.551 -7.150 1.00 0.00 C ATOM 750 C ASP A 50 2.836 -14.039 -7.209 1.00 0.00 C ATOM 751 O ASP A 50 2.410 -13.492 -8.214 1.00 0.00 O ATOM 752 CB ASP A 50 4.290 -16.073 -7.309 1.00 0.00 C ATOM 753 CG ASP A 50 5.719 -16.583 -7.296 1.00 0.00 C ATOM 754 OD1 ASP A 50 6.348 -16.547 -8.374 1.00 0.00 O ATOM 755 OD2 ASP A 50 6.164 -16.922 -6.178 1.00 0.00 O ATOM 0 H ASP A 50 5.526 -14.944 -5.547 1.00 0.00 H new ATOM 0 HA ASP A 50 4.812 -14.078 -7.967 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.723 -16.538 -6.502 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.805 -16.355 -8.243 1.00 0.00 H new ATOM 760 N ALA A 51 2.089 -14.193 -6.121 1.00 0.00 N ATOM 761 CA ALA A 51 0.700 -13.777 -6.039 1.00 0.00 C ATOM 762 C ALA A 51 0.507 -12.287 -6.311 1.00 0.00 C ATOM 763 O ALA A 51 -0.465 -11.898 -6.957 1.00 0.00 O ATOM 764 CB ALA A 51 0.184 -14.167 -4.654 1.00 0.00 C ATOM 0 H ALA A 51 2.439 -14.616 -5.262 1.00 0.00 H new ATOM 0 HA ALA A 51 0.128 -14.281 -6.818 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.860 -13.868 -4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.266 -15.246 -4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.777 -13.665 -3.890 1.00 0.00 H new ATOM 770 N ASN A 52 1.417 -11.448 -5.820 1.00 0.00 N ATOM 771 CA ASN A 52 1.373 -10.021 -6.086 1.00 0.00 C ATOM 772 C ASN A 52 2.059 -9.739 -7.425 1.00 0.00 C ATOM 773 O ASN A 52 1.540 -9.017 -8.273 1.00 0.00 O ATOM 774 CB ASN A 52 2.012 -9.283 -4.912 1.00 0.00 C ATOM 775 CG ASN A 52 1.722 -7.785 -4.941 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.754 -7.147 -5.986 1.00 0.00 O ATOM 777 ND2 ASN A 52 1.399 -7.218 -3.786 1.00 0.00 N ATOM 0 H ASN A 52 2.198 -11.740 -5.232 1.00 0.00 H new ATOM 0 HA ASN A 52 0.348 -9.661 -6.174 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.643 -9.704 -3.977 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.090 -9.442 -4.929 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.169 -6.225 -3.752 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.381 -7.775 -2.932 1.00 0.00 H new ATOM 784 N LYS A 53 3.205 -10.387 -7.639 1.00 0.00 N ATOM 785 CA LYS A 53 4.046 -10.274 -8.819 1.00 0.00 C ATOM 786 C LYS A 53 3.225 -10.512 -10.087 1.00 0.00 C ATOM 787 O LYS A 53 3.435 -9.876 -11.115 1.00 0.00 O ATOM 788 CB LYS A 53 5.176 -11.304 -8.709 1.00 0.00 C ATOM 789 CG LYS A 53 6.335 -11.082 -9.681 1.00 0.00 C ATOM 790 CD LYS A 53 7.137 -9.838 -9.283 1.00 0.00 C ATOM 791 CE LYS A 53 8.425 -9.703 -10.099 1.00 0.00 C ATOM 792 NZ LYS A 53 8.149 -9.719 -11.550 1.00 0.00 N ATOM 0 H LYS A 53 3.587 -11.038 -6.953 1.00 0.00 H new ATOM 0 HA LYS A 53 4.466 -9.270 -8.879 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.565 -11.290 -7.691 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.762 -12.298 -8.879 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.986 -11.956 -9.686 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.951 -10.966 -10.694 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.522 -8.949 -9.425 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.383 -9.889 -8.222 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.930 -8.774 -9.834 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.104 -10.518 -9.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.015 -9.474 -12.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.832 -10.668 -11.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.406 -9.026 -11.770 1.00 0.00 H new ATOM 806 N ASN A 54 2.301 -11.464 -9.997 1.00 0.00 N ATOM 807 CA ASN A 54 1.458 -11.919 -11.079 1.00 0.00 C ATOM 808 C ASN A 54 0.431 -10.853 -11.483 1.00 0.00 C ATOM 809 O ASN A 54 -0.089 -10.902 -12.593 1.00 0.00 O ATOM 810 CB ASN A 54 0.751 -13.213 -10.652 1.00 0.00 C ATOM 811 CG ASN A 54 -0.200 -13.743 -11.717 1.00 0.00 C ATOM 812 OD1 ASN A 54 -1.414 -13.639 -11.581 1.00 0.00 O ATOM 813 ND2 ASN A 54 0.341 -14.346 -12.772 1.00 0.00 N ATOM 0 H ASN A 54 2.117 -11.957 -9.123 1.00 0.00 H new ATOM 0 HA ASN A 54 2.083 -12.109 -11.952 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.499 -13.974 -10.428 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.195 -13.032 -9.732 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.258 -14.739 -13.498 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.355 -14.416 -12.855 1.00 0.00 H new ATOM 820 N LYS A 55 0.091 -9.919 -10.582 1.00 0.00 N ATOM 821 CA LYS A 55 -1.081 -9.066 -10.755 1.00 0.00 C ATOM 822 C LYS A 55 -0.952 -8.130 -11.959 1.00 0.00 C ATOM 823 O LYS A 55 -1.846 -8.072 -12.800 1.00 0.00 O ATOM 824 CB LYS A 55 -1.318 -8.229 -9.496 1.00 0.00 C ATOM 825 CG LYS A 55 -1.839 -9.028 -8.294 1.00 0.00 C ATOM 826 CD LYS A 55 -3.246 -8.592 -7.854 1.00 0.00 C ATOM 827 CE LYS A 55 -4.401 -9.255 -8.615 1.00 0.00 C ATOM 828 NZ LYS A 55 -5.711 -8.903 -8.017 1.00 0.00 N ATOM 0 H LYS A 55 0.616 -9.740 -9.726 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.927 -9.730 -10.934 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.384 -7.743 -9.216 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.032 -7.439 -9.729 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.855 -10.088 -8.547 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.149 -8.910 -7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.360 -8.807 -6.792 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.328 -7.511 -7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.379 -8.942 -9.659 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.273 -10.337 -8.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.438 -8.886 -8.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.966 -9.611 -7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.649 -7.965 -7.572 1.00 0.00 H new ATOM 842 N GLY A 56 0.115 -7.327 -11.985 1.00 0.00 N ATOM 843 CA GLY A 56 0.328 -6.324 -13.022 1.00 0.00 C ATOM 844 C GLY A 56 -0.807 -5.294 -13.117 1.00 0.00 C ATOM 845 O GLY A 56 -1.100 -4.790 -14.200 1.00 0.00 O ATOM 0 H GLY A 56 0.855 -7.357 -11.284 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.265 -5.803 -12.826 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.436 -6.824 -13.984 1.00 0.00 H new ATOM 849 N ILE A 57 -1.433 -4.948 -11.986 1.00 0.00 N ATOM 850 CA ILE A 57 -2.437 -3.894 -11.931 1.00 0.00 C ATOM 851 C ILE A 57 -1.765 -2.524 -11.890 1.00 0.00 C ATOM 852 O ILE A 57 -0.546 -2.447 -11.858 1.00 0.00 O ATOM 853 CB ILE A 57 -3.347 -4.065 -10.711 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.593 -4.090 -9.374 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.250 -5.295 -10.874 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.460 -3.466 -8.287 1.00 0.00 C ATOM 0 H ILE A 57 -1.254 -5.394 -11.087 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.049 -3.965 -12.830 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.974 -3.174 -10.671 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.339 -5.116 -9.107 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.655 -3.543 -9.464 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.888 -5.397 -9.996 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.871 -5.175 -11.762 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.633 -6.188 -10.980 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.923 -3.484 -7.338 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.691 -2.435 -8.553 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.386 -4.032 -8.191 1.00 0.00 H new ATOM 868 N THR A 58 -2.555 -1.447 -11.869 1.00 0.00 N ATOM 869 CA THR A 58 -2.098 -0.063 -11.960 1.00 0.00 C ATOM 870 C THR A 58 -2.386 0.712 -10.659 1.00 0.00 C ATOM 871 O THR A 58 -2.513 1.936 -10.674 1.00 0.00 O ATOM 872 CB THR A 58 -2.790 0.528 -13.201 1.00 0.00 C ATOM 873 OG1 THR A 58 -2.722 -0.397 -14.276 1.00 0.00 O ATOM 874 CG2 THR A 58 -2.157 1.829 -13.680 1.00 0.00 C ATOM 0 H THR A 58 -3.569 -1.521 -11.785 1.00 0.00 H new ATOM 0 HA THR A 58 -1.016 0.006 -12.074 1.00 0.00 H new ATOM 0 HB THR A 58 -3.818 0.733 -12.903 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.165 -0.017 -15.063 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.692 2.192 -14.557 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.213 2.574 -12.887 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.113 1.652 -13.939 1.00 0.00 H new ATOM 882 N TRP A 59 -2.527 -0.029 -9.548 1.00 0.00 N ATOM 883 CA TRP A 59 -2.867 0.461 -8.213 1.00 0.00 C ATOM 884 C TRP A 59 -3.801 1.668 -8.235 1.00 0.00 C ATOM 885 O TRP A 59 -3.507 2.721 -7.681 1.00 0.00 O ATOM 886 CB TRP A 59 -1.591 0.675 -7.400 1.00 0.00 C ATOM 887 CG TRP A 59 -0.963 -0.585 -6.902 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.301 -0.977 -7.157 1.00 0.00 C ATOM 889 CD2 TRP A 59 -1.537 -1.612 -6.031 1.00 0.00 C ATOM 890 NE1 TRP A 59 0.528 -2.194 -6.556 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.574 -2.648 -5.868 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.772 -1.778 -5.362 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.826 -3.803 -5.112 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -3.002 -2.894 -4.532 1.00 0.00 C ATOM 895 CH2 TRP A 59 -2.044 -3.915 -4.425 1.00 0.00 C ATOM 0 H TRP A 59 -2.399 -1.041 -9.564 1.00 0.00 H new ATOM 0 HA TRP A 59 -3.453 -0.305 -7.705 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.867 1.210 -8.015 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.820 1.315 -6.548 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.022 -0.424 -7.741 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.411 -2.701 -6.614 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -3.550 -1.039 -5.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.093 -4.594 -5.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.924 -2.964 -3.973 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.244 -4.784 -3.816 1.00 0.00 H new ATOM 906 N LYS A 60 -4.957 1.479 -8.866 1.00 0.00 N ATOM 907 CA LYS A 60 -5.971 2.513 -8.955 1.00 0.00 C ATOM 908 C LYS A 60 -6.742 2.596 -7.633 1.00 0.00 C ATOM 909 O LYS A 60 -6.635 1.711 -6.779 1.00 0.00 O ATOM 910 CB LYS A 60 -6.925 2.204 -10.117 1.00 0.00 C ATOM 911 CG LYS A 60 -7.560 0.808 -10.001 1.00 0.00 C ATOM 912 CD LYS A 60 -7.144 -0.178 -11.102 1.00 0.00 C ATOM 913 CE LYS A 60 -7.825 0.162 -12.440 1.00 0.00 C ATOM 914 NZ LYS A 60 -7.942 -1.011 -13.328 1.00 0.00 N ATOM 0 H LYS A 60 -5.212 0.606 -9.327 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.494 3.475 -9.142 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.713 2.957 -10.146 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.381 2.275 -11.059 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.296 0.383 -9.033 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.645 0.914 -10.018 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.061 -0.154 -11.225 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.408 -1.193 -10.804 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.818 0.567 -12.246 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.256 0.942 -12.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.407 -0.730 -14.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.994 -1.384 -13.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.508 -1.747 -12.859 1.00 0.00 H new ATOM 928 N GLU A 61 -7.607 3.606 -7.508 1.00 0.00 N ATOM 929 CA GLU A 61 -8.443 3.840 -6.327 1.00 0.00 C ATOM 930 C GLU A 61 -9.655 2.897 -6.266 1.00 0.00 C ATOM 931 O GLU A 61 -10.761 3.303 -5.921 1.00 0.00 O ATOM 932 CB GLU A 61 -8.820 5.330 -6.230 1.00 0.00 C ATOM 933 CG GLU A 61 -9.470 5.916 -7.495 1.00 0.00 C ATOM 934 CD GLU A 61 -9.918 7.360 -7.277 1.00 0.00 C ATOM 935 OE1 GLU A 61 -9.175 8.092 -6.587 1.00 0.00 O ATOM 936 OE2 GLU A 61 -10.990 7.713 -7.808 1.00 0.00 O ATOM 0 H GLU A 61 -7.749 4.300 -8.242 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.859 3.595 -5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.504 5.463 -5.392 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.921 5.903 -6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.761 5.875 -8.322 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.328 5.307 -7.780 1.00 0.00 H new ATOM 943 N GLU A 62 -9.413 1.616 -6.549 1.00 0.00 N ATOM 944 CA GLU A 62 -10.395 0.546 -6.538 1.00 0.00 C ATOM 945 C GLU A 62 -9.700 -0.671 -5.931 1.00 0.00 C ATOM 946 O GLU A 62 -10.043 -1.148 -4.849 1.00 0.00 O ATOM 947 CB GLU A 62 -10.882 0.254 -7.971 1.00 0.00 C ATOM 948 CG GLU A 62 -11.216 1.511 -8.786 1.00 0.00 C ATOM 949 CD GLU A 62 -11.702 1.117 -10.176 1.00 0.00 C ATOM 950 OE1 GLU A 62 -10.824 0.890 -11.037 1.00 0.00 O ATOM 951 OE2 GLU A 62 -12.933 0.998 -10.343 1.00 0.00 O ATOM 0 H GLU A 62 -8.481 1.288 -6.803 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.276 0.816 -5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.114 -0.313 -8.496 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.767 -0.380 -7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.983 2.093 -8.275 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.335 2.147 -8.867 1.00 0.00 H new ATOM 958 N THR A 63 -8.650 -1.126 -6.616 1.00 0.00 N ATOM 959 CA THR A 63 -7.867 -2.271 -6.215 1.00 0.00 C ATOM 960 C THR A 63 -7.128 -1.976 -4.915 1.00 0.00 C ATOM 961 O THR A 63 -6.990 -2.868 -4.084 1.00 0.00 O ATOM 962 CB THR A 63 -6.907 -2.646 -7.344 1.00 0.00 C ATOM 963 OG1 THR A 63 -6.217 -1.499 -7.799 1.00 0.00 O ATOM 964 CG2 THR A 63 -7.671 -3.248 -8.528 1.00 0.00 C ATOM 0 H THR A 63 -8.323 -0.693 -7.480 1.00 0.00 H new ATOM 0 HA THR A 63 -8.522 -3.122 -6.027 1.00 0.00 H new ATOM 0 HB THR A 63 -6.202 -3.379 -6.951 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.739 -1.712 -8.628 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.969 -3.508 -9.320 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.199 -4.145 -8.203 1.00 0.00 H new ATOM 0 HG23 THR A 63 -8.390 -2.521 -8.905 1.00 0.00 H new ATOM 972 N LEU A 64 -6.678 -0.732 -4.709 1.00 0.00 N ATOM 973 CA LEU A 64 -6.149 -0.334 -3.420 1.00 0.00 C ATOM 974 C LEU A 64 -7.184 -0.542 -2.317 1.00 0.00 C ATOM 975 O LEU A 64 -6.839 -1.060 -1.262 1.00 0.00 O ATOM 976 CB LEU A 64 -5.680 1.128 -3.466 1.00 0.00 C ATOM 977 CG LEU A 64 -4.150 1.256 -3.363 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.593 1.913 -4.619 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.773 2.095 -2.147 1.00 0.00 C ATOM 0 H LEU A 64 -6.674 0.002 -5.417 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.290 -0.964 -3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.019 1.586 -4.395 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.144 1.682 -2.650 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.726 0.257 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.510 1.998 -4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.843 1.305 -5.489 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.027 2.906 -4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.688 2.178 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.209 3.090 -2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.153 1.618 -1.244 1.00 0.00 H new ATOM 991 N MET A 65 -8.443 -0.148 -2.541 1.00 0.00 N ATOM 992 CA MET A 65 -9.476 -0.309 -1.532 1.00 0.00 C ATOM 993 C MET A 65 -9.668 -1.791 -1.222 1.00 0.00 C ATOM 994 O MET A 65 -9.599 -2.185 -0.061 1.00 0.00 O ATOM 995 CB MET A 65 -10.791 0.350 -1.962 1.00 0.00 C ATOM 996 CG MET A 65 -10.568 1.806 -2.381 1.00 0.00 C ATOM 997 SD MET A 65 -11.988 2.893 -2.105 1.00 0.00 S ATOM 998 CE MET A 65 -11.194 4.095 -1.022 1.00 0.00 C ATOM 0 H MET A 65 -8.762 0.281 -3.409 1.00 0.00 H new ATOM 0 HA MET A 65 -9.154 0.198 -0.622 1.00 0.00 H new ATOM 0 HB2 MET A 65 -11.226 -0.208 -2.791 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.507 0.310 -1.141 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.712 2.201 -1.834 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.308 1.830 -3.439 1.00 0.00 H new ATOM 0 HE1 MET A 65 -11.955 4.709 -0.540 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.614 3.572 -0.261 1.00 0.00 H new ATOM 0 HE3 MET A 65 -10.532 4.732 -1.609 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.886 -2.604 -2.261 1.00 0.00 N ATOM 1009 CA GLU A 66 -10.073 -4.044 -2.114 1.00 0.00 C ATOM 1010 C GLU A 66 -8.929 -4.656 -1.291 1.00 0.00 C ATOM 1011 O GLU A 66 -9.145 -5.353 -0.302 1.00 0.00 O ATOM 1012 CB GLU A 66 -10.150 -4.702 -3.503 1.00 0.00 C ATOM 1013 CG GLU A 66 -11.339 -5.660 -3.638 1.00 0.00 C ATOM 1014 CD GLU A 66 -11.125 -6.627 -4.797 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -10.733 -6.139 -5.880 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -11.299 -7.843 -4.565 1.00 0.00 O ATOM 0 H GLU A 66 -9.937 -2.278 -3.226 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.007 -4.227 -1.583 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.226 -3.926 -4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.226 -5.247 -3.694 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.469 -6.219 -2.711 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.255 -5.091 -3.798 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.695 -4.382 -1.718 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.488 -4.894 -1.099 1.00 0.00 C ATOM 1025 C TYR A 67 -6.434 -4.487 0.361 1.00 0.00 C ATOM 1026 O TYR A 67 -6.412 -5.343 1.229 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.274 -4.366 -1.863 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.931 -4.858 -1.362 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.678 -6.234 -1.208 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.902 -3.938 -1.112 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.402 -6.694 -0.850 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.637 -4.400 -0.727 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.375 -5.774 -0.611 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.132 -6.217 -0.289 1.00 0.00 O ATOM 0 H TYR A 67 -7.511 -3.783 -2.523 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.485 -5.983 -1.139 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.376 -4.644 -2.912 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.283 -3.277 -1.819 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.476 -6.944 -1.367 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.084 -2.879 -1.216 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.213 -7.753 -0.759 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.852 -3.689 -0.516 1.00 0.00 H new ATOM 0 HH TYR A 67 0.150 -5.813 0.558 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.410 -3.190 0.650 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.310 -2.726 2.027 1.00 0.00 C ATOM 1046 C LEU A 68 -7.414 -3.304 2.912 1.00 0.00 C ATOM 1047 O LEU A 68 -7.162 -3.641 4.068 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.313 -1.192 2.095 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.915 -0.555 2.129 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -4.044 -1.185 3.219 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.203 -0.643 0.779 1.00 0.00 C ATOM 0 H LEU A 68 -6.458 -2.447 -0.047 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.358 -3.089 2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.855 -0.803 1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.862 -0.881 2.984 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.064 0.500 2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.061 -0.713 3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.515 -1.039 4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.934 -2.252 3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.220 -0.179 0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.090 -1.689 0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.791 -0.124 0.023 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.631 -3.403 2.378 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.769 -3.943 3.100 1.00 0.00 C ATOM 1065 C GLU A 69 -9.586 -5.446 3.355 1.00 0.00 C ATOM 1066 O GLU A 69 -9.994 -5.928 4.410 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.054 -3.590 2.333 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.347 -3.714 3.161 1.00 0.00 C ATOM 1069 CD GLU A 69 -12.921 -5.127 3.225 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -12.811 -5.840 2.206 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -13.510 -5.445 4.279 1.00 0.00 O ATOM 0 H GLU A 69 -8.850 -3.108 1.427 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.849 -3.493 4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.972 -2.568 1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.132 -4.240 1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.149 -3.369 4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.100 -3.048 2.739 1.00 0.00 H new ATOM 1078 N ASN A 70 -8.972 -6.186 2.421 1.00 0.00 N ATOM 1079 CA ASN A 70 -8.894 -7.644 2.499 1.00 0.00 C ATOM 1080 C ASN A 70 -7.687 -8.217 1.741 1.00 0.00 C ATOM 1081 O ASN A 70 -7.845 -8.935 0.752 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.193 -8.211 1.921 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.532 -9.580 2.486 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -9.679 -10.292 3.010 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -11.805 -9.958 2.400 1.00 0.00 N ATOM 0 H ASN A 70 -8.520 -5.790 1.597 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.763 -7.930 3.542 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.011 -7.522 2.131 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.105 -8.281 0.837 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.095 -10.861 2.775 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.490 -9.345 1.959 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.453 -7.941 2.178 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.284 -8.091 1.326 1.00 0.00 C ATOM 1094 C PRO A 71 -4.995 -9.555 1.015 1.00 0.00 C ATOM 1095 O PRO A 71 -4.698 -9.918 -0.123 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.146 -7.373 2.058 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.591 -7.365 3.521 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.119 -7.321 3.441 1.00 0.00 C ATOM 0 HA PRO A 71 -5.431 -7.646 0.342 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.198 -7.896 1.932 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.004 -6.361 1.679 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.244 -8.253 4.049 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.194 -6.502 4.055 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.572 -7.858 4.275 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.486 -6.296 3.485 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.150 -10.402 2.034 1.00 0.00 N ATOM 1107 CA LYS A 72 -4.967 -11.843 1.956 1.00 0.00 C ATOM 1108 C LYS A 72 -6.064 -12.518 1.116 1.00 0.00 C ATOM 1109 O LYS A 72 -6.007 -13.732 0.922 1.00 0.00 O ATOM 1110 CB LYS A 72 -4.884 -12.386 3.398 1.00 0.00 C ATOM 1111 CG LYS A 72 -3.853 -13.504 3.633 1.00 0.00 C ATOM 1112 CD LYS A 72 -4.277 -14.926 3.233 1.00 0.00 C ATOM 1113 CE LYS A 72 -5.569 -15.358 3.946 1.00 0.00 C ATOM 1114 NZ LYS A 72 -5.804 -16.813 3.840 1.00 0.00 N ATOM 0 H LYS A 72 -5.416 -10.087 2.967 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.040 -12.079 1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.651 -11.557 4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.868 -12.759 3.683 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.946 -13.252 3.084 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.593 -13.511 4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.425 -14.971 2.154 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.477 -15.626 3.475 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.514 -15.076 4.997 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.416 -14.822 3.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.685 -17.059 4.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.883 -17.080 2.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.009 -17.325 4.273 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.062 -11.764 0.633 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.069 -12.263 -0.293 1.00 0.00 C ATOM 1130 C LYS A 73 -7.811 -11.679 -1.684 1.00 0.00 C ATOM 1131 O LYS A 73 -7.711 -12.432 -2.650 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.466 -11.948 0.257 1.00 0.00 C ATOM 1133 CG LYS A 73 -10.550 -12.876 -0.315 1.00 0.00 C ATOM 1134 CD LYS A 73 -11.504 -13.334 0.801 1.00 0.00 C ATOM 1135 CE LYS A 73 -12.350 -14.527 0.339 1.00 0.00 C ATOM 1136 NZ LYS A 73 -13.303 -14.968 1.380 1.00 0.00 N ATOM 0 H LYS A 73 -7.187 -10.783 0.881 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.010 -13.347 -0.393 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.453 -12.037 1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.719 -10.914 0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.111 -12.356 -1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.085 -13.743 -0.784 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.930 -13.610 1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.156 -12.510 1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.899 -14.255 -0.563 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.693 -15.356 0.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.854 -15.776 1.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.779 -15.253 2.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.947 -14.186 1.615 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.668 -10.352 -1.784 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.316 -9.669 -3.022 1.00 0.00 C ATOM 1152 C TYR A 74 -6.108 -10.290 -3.739 1.00 0.00 C ATOM 1153 O TYR A 74 -6.088 -10.373 -4.974 1.00 0.00 O ATOM 1154 CB TYR A 74 -7.012 -8.219 -2.663 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.532 -7.390 -3.832 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.439 -6.990 -4.826 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.154 -7.207 -4.035 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -6.969 -6.383 -6.000 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -4.685 -6.564 -5.187 1.00 0.00 C ATOM 1160 CZ TYR A 74 -5.597 -6.164 -6.173 1.00 0.00 C ATOM 1161 OH TYR A 74 -5.136 -5.927 -7.429 1.00 0.00 O ATOM 0 H TYR A 74 -7.796 -9.720 -0.994 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.152 -9.757 -3.716 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.910 -7.761 -2.249 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.254 -8.199 -1.880 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.498 -7.150 -4.687 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.451 -7.565 -3.297 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.665 -6.085 -6.770 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.629 -6.378 -5.315 1.00 0.00 H new ATOM 0 HH TYR A 74 -5.839 -5.499 -7.960 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.078 -10.655 -2.968 1.00 0.00 N ATOM 1172 CA ILE A 75 -3.881 -11.341 -3.454 1.00 0.00 C ATOM 1173 C ILE A 75 -3.798 -12.740 -2.827 1.00 0.00 C ATOM 1174 O ILE A 75 -3.814 -12.858 -1.599 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.630 -10.478 -3.181 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -2.457 -9.529 -4.373 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.343 -11.304 -3.038 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -1.594 -8.311 -4.052 1.00 0.00 C ATOM 0 H ILE A 75 -5.055 -10.476 -1.964 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.935 -11.478 -4.534 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.784 -9.954 -2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.008 -10.076 -5.202 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.439 -9.193 -4.707 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.502 -10.637 -2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.449 -12.001 -2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.164 -11.860 -3.958 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.511 -7.680 -4.937 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.053 -7.743 -3.243 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.601 -8.639 -3.746 1.00 0.00 H new ATOM 1190 N PRO A 76 -3.666 -13.810 -3.635 1.00 0.00 N ATOM 1191 CA PRO A 76 -3.610 -15.178 -3.136 1.00 0.00 C ATOM 1192 C PRO A 76 -2.222 -15.510 -2.572 1.00 0.00 C ATOM 1193 O PRO A 76 -1.529 -16.384 -3.086 1.00 0.00 O ATOM 1194 CB PRO A 76 -3.979 -16.044 -4.346 1.00 0.00 C ATOM 1195 CG PRO A 76 -3.421 -15.250 -5.526 1.00 0.00 C ATOM 1196 CD PRO A 76 -3.663 -13.804 -5.095 1.00 0.00 C ATOM 0 HA PRO A 76 -4.292 -15.350 -2.303 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.533 -17.037 -4.282 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.057 -16.183 -4.428 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.362 -15.454 -5.688 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.937 -15.488 -6.456 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -2.883 -13.147 -5.480 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.612 -13.435 -5.485 1.00 0.00 H new ATOM 1204 N GLY A 77 -1.824 -14.824 -1.498 1.00 0.00 N ATOM 1205 CA GLY A 77 -0.573 -15.081 -0.788 1.00 0.00 C ATOM 1206 C GLY A 77 0.313 -13.839 -0.738 1.00 0.00 C ATOM 1207 O GLY A 77 1.406 -13.809 -1.303 1.00 0.00 O ATOM 0 H GLY A 77 -2.371 -14.064 -1.093 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.792 -15.413 0.227 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.036 -15.892 -1.280 1.00 0.00 H new ATOM 1211 N THR A 78 -0.157 -12.817 -0.027 1.00 0.00 N ATOM 1212 CA THR A 78 0.621 -11.637 0.304 1.00 0.00 C ATOM 1213 C THR A 78 1.410 -11.917 1.581 1.00 0.00 C ATOM 1214 O THR A 78 0.977 -12.725 2.405 1.00 0.00 O ATOM 1215 CB THR A 78 -0.319 -10.437 0.487 1.00 0.00 C ATOM 1216 OG1 THR A 78 0.450 -9.307 0.786 1.00 0.00 O ATOM 1217 CG2 THR A 78 -1.336 -10.601 1.619 1.00 0.00 C ATOM 0 H THR A 78 -1.108 -12.790 0.340 1.00 0.00 H new ATOM 0 HA THR A 78 1.318 -11.400 -0.499 1.00 0.00 H new ATOM 0 HB THR A 78 -0.875 -10.346 -0.446 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.654 -8.822 -0.041 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.960 -9.709 1.680 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.963 -11.470 1.421 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.810 -10.741 2.563 1.00 0.00 H new ATOM 1225 N LYS A 79 2.539 -11.230 1.769 1.00 0.00 N ATOM 1226 CA LYS A 79 3.223 -11.161 3.062 1.00 0.00 C ATOM 1227 C LYS A 79 2.897 -9.839 3.760 1.00 0.00 C ATOM 1228 O LYS A 79 3.640 -9.392 4.631 1.00 0.00 O ATOM 1229 CB LYS A 79 4.731 -11.410 2.879 1.00 0.00 C ATOM 1230 CG LYS A 79 5.118 -12.879 3.117 1.00 0.00 C ATOM 1231 CD LYS A 79 4.230 -13.851 2.327 1.00 0.00 C ATOM 1232 CE LYS A 79 4.716 -15.306 2.361 1.00 0.00 C ATOM 1233 NZ LYS A 79 5.975 -15.507 1.616 1.00 0.00 N ATOM 0 H LYS A 79 3.005 -10.706 1.029 1.00 0.00 H new ATOM 0 HA LYS A 79 2.862 -11.951 3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.024 -11.119 1.870 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.287 -10.775 3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.159 -13.029 2.832 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.043 -13.104 4.181 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.217 -13.808 2.726 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.179 -13.520 1.290 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.860 -15.612 3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.944 -15.952 1.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.211 -16.520 1.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.860 -15.163 0.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.741 -14.980 2.081 1.00 0.00 H new ATOM 1247 N MET A 80 1.759 -9.229 3.421 1.00 0.00 N ATOM 1248 CA MET A 80 1.391 -7.947 3.980 1.00 0.00 C ATOM 1249 C MET A 80 1.042 -7.978 5.471 1.00 0.00 C ATOM 1250 O MET A 80 1.310 -7.022 6.187 1.00 0.00 O ATOM 1251 CB MET A 80 0.331 -7.311 3.093 1.00 0.00 C ATOM 1252 CG MET A 80 -0.144 -5.971 3.641 1.00 0.00 C ATOM 1253 SD MET A 80 -0.052 -4.623 2.451 1.00 0.00 S ATOM 1254 CE MET A 80 -1.702 -3.915 2.624 1.00 0.00 C ATOM 0 H MET A 80 1.082 -9.611 2.760 1.00 0.00 H new ATOM 0 HA MET A 80 2.272 -7.305 3.975 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.735 -7.170 2.090 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.519 -7.987 3.002 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.175 -6.073 3.981 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.455 -5.713 4.514 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.806 -3.065 1.950 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.449 -4.669 2.375 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.850 -3.583 3.652 1.00 0.00 H new ATOM 1264 N ILE A 81 0.450 -9.073 5.940 1.00 0.00 N ATOM 1265 CA ILE A 81 0.081 -9.274 7.339 1.00 0.00 C ATOM 1266 C ILE A 81 -0.706 -8.065 7.875 1.00 0.00 C ATOM 1267 O ILE A 81 -0.204 -7.277 8.672 1.00 0.00 O ATOM 1268 CB ILE A 81 1.343 -9.575 8.175 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.225 -10.693 7.586 1.00 0.00 C ATOM 1270 CG2 ILE A 81 1.022 -9.895 9.645 1.00 0.00 C ATOM 1271 CD1 ILE A 81 1.644 -12.102 7.743 1.00 0.00 C ATOM 0 H ILE A 81 0.208 -9.864 5.344 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.581 -10.136 7.419 1.00 0.00 H new ATOM 0 HB ILE A 81 1.913 -8.647 8.135 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.384 -10.494 6.526 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.203 -10.660 8.067 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.948 -10.098 10.184 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.516 -9.044 10.101 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.374 -10.770 9.694 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.327 -12.828 7.302 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.511 -12.325 8.802 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.680 -12.157 7.237 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.955 -7.908 7.420 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.770 -6.752 7.782 1.00 0.00 C ATOM 1285 C PHE A 82 -4.243 -7.145 7.966 1.00 0.00 C ATOM 1286 O PHE A 82 -4.819 -6.904 9.023 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.523 -5.627 6.761 1.00 0.00 C ATOM 1288 CG PHE A 82 -3.013 -4.269 7.206 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -2.421 -3.648 8.323 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -4.060 -3.629 6.522 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -2.936 -2.436 8.811 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.551 -2.401 6.993 1.00 0.00 C ATOM 1293 CZ PHE A 82 -4.023 -1.826 8.164 1.00 0.00 C ATOM 0 H PHE A 82 -2.420 -8.571 6.800 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.474 -6.362 8.756 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.454 -5.566 6.556 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.013 -5.888 5.823 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.569 -4.105 8.805 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.485 -4.080 5.638 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.497 -1.974 9.683 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.338 -1.895 6.454 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.452 -0.919 8.564 1.00 0.00 H new ATOM 1303 N ALA A 83 -4.826 -7.833 6.977 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.130 -8.487 7.046 1.00 0.00 C ATOM 1305 C ALA A 83 -7.328 -7.530 7.117 1.00 0.00 C ATOM 1306 O ALA A 83 -8.158 -7.556 6.216 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.143 -9.543 8.150 1.00 0.00 C ATOM 0 H ALA A 83 -4.378 -7.952 6.068 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.268 -8.991 6.089 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.123 -10.019 8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.381 -10.295 7.943 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.934 -9.069 9.109 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.434 -6.718 8.171 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.442 -5.672 8.324 1.00 0.00 C ATOM 1315 C GLY A 84 -7.734 -4.319 8.363 1.00 0.00 C ATOM 1316 O GLY A 84 -6.509 -4.294 8.429 1.00 0.00 O ATOM 0 H GLY A 84 -6.798 -6.774 8.967 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.151 -5.705 7.497 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.013 -5.827 9.239 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.476 -3.201 8.334 1.00 0.00 N ATOM 1321 CA ILE A 85 -7.891 -1.873 8.267 1.00 0.00 C ATOM 1322 C ILE A 85 -8.258 -1.093 9.530 1.00 0.00 C ATOM 1323 O ILE A 85 -7.373 -0.724 10.295 1.00 0.00 O ATOM 1324 CB ILE A 85 -8.220 -1.229 6.902 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -7.615 0.174 6.771 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -9.717 -1.188 6.554 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -7.065 0.466 5.377 1.00 0.00 C ATOM 0 H ILE A 85 -9.496 -3.203 8.357 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.801 -1.889 8.282 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.755 -1.895 6.176 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.376 0.915 7.016 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.814 0.286 7.501 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.851 -0.719 5.579 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -10.112 -2.204 6.526 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -10.251 -0.612 7.310 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.652 1.474 5.353 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.282 -0.253 5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.868 0.385 4.645 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.553 -0.906 9.815 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.015 -0.336 11.064 1.00 0.00 C ATOM 1341 C LYS A 86 -11.512 -0.586 11.216 1.00 0.00 C ATOM 1342 O LYS A 86 -11.961 -1.148 12.211 1.00 0.00 O ATOM 1343 CB LYS A 86 -9.708 1.165 11.085 1.00 0.00 C ATOM 1344 CG LYS A 86 -10.241 1.815 12.362 1.00 0.00 C ATOM 1345 CD LYS A 86 -9.511 3.139 12.668 1.00 0.00 C ATOM 1346 CE LYS A 86 -10.410 4.383 12.617 1.00 0.00 C ATOM 1347 NZ LYS A 86 -11.068 4.652 13.912 1.00 0.00 N ATOM 0 H LYS A 86 -10.307 -1.152 9.173 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.499 -0.808 11.900 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.631 1.321 11.015 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -10.156 1.644 10.214 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.310 2.003 12.257 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.119 1.128 13.200 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.060 3.071 13.658 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.696 3.264 11.955 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.813 5.248 12.328 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.170 4.248 11.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.664 5.500 13.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.659 3.838 14.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.345 4.807 14.643 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.279 -0.101 10.238 1.00 0.00 N ATOM 1362 CA LYS A 87 -13.734 -0.156 10.203 1.00 0.00 C ATOM 1363 C LYS A 87 -14.196 0.438 8.874 1.00 0.00 C ATOM 1364 O LYS A 87 -14.916 -0.205 8.117 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.341 0.599 11.404 1.00 0.00 C ATOM 1366 CG LYS A 87 -15.865 0.740 11.278 1.00 0.00 C ATOM 1367 CD LYS A 87 -16.538 1.287 12.547 1.00 0.00 C ATOM 1368 CE LYS A 87 -16.668 0.244 13.673 1.00 0.00 C ATOM 1369 NZ LYS A 87 -15.646 0.394 14.730 1.00 0.00 N ATOM 0 H LYS A 87 -11.884 0.358 9.418 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.076 -1.188 10.279 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.100 0.069 12.326 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.889 1.588 11.477 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.093 1.401 10.442 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.293 -0.234 11.040 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.964 2.137 12.915 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.530 1.659 12.291 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.658 0.325 14.121 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.593 -0.755 13.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.537 -0.507 15.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.738 0.661 14.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.943 1.134 15.398 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.792 1.685 8.609 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.166 2.403 7.398 1.00 0.00 C ATOM 1385 C LYS A 88 -13.267 3.628 7.219 1.00 0.00 C ATOM 1386 O LYS A 88 -12.600 3.745 6.200 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.663 2.772 7.409 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.245 2.786 5.987 1.00 0.00 C ATOM 1389 CD LYS A 88 -17.762 3.023 6.047 1.00 0.00 C ATOM 1390 CE LYS A 88 -18.457 2.829 4.689 1.00 0.00 C ATOM 1391 NZ LYS A 88 -18.144 3.904 3.725 1.00 0.00 N ATOM 0 H LYS A 88 -13.193 2.223 9.236 1.00 0.00 H new ATOM 0 HA LYS A 88 -14.015 1.751 6.538 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.212 2.057 8.022 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.795 3.752 7.868 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.769 3.569 5.397 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -16.035 1.839 5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -18.202 2.341 6.774 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -17.952 4.035 6.404 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -18.157 1.870 4.266 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -19.536 2.787 4.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.639 3.721 2.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -18.454 4.818 4.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -17.118 3.930 3.555 1.00 0.00 H new ATOM 1405 N THR A 89 -13.211 4.523 8.212 1.00 0.00 N ATOM 1406 CA THR A 89 -12.432 5.753 8.136 1.00 0.00 C ATOM 1407 C THR A 89 -11.008 5.509 7.632 1.00 0.00 C ATOM 1408 O THR A 89 -10.560 6.196 6.719 1.00 0.00 O ATOM 1409 CB THR A 89 -12.422 6.425 9.512 1.00 0.00 C ATOM 1410 OG1 THR A 89 -13.738 6.411 10.032 1.00 0.00 O ATOM 1411 CG2 THR A 89 -11.882 7.856 9.451 1.00 0.00 C ATOM 0 H THR A 89 -13.710 4.409 9.094 1.00 0.00 H new ATOM 0 HA THR A 89 -12.904 6.414 7.409 1.00 0.00 H new ATOM 0 HB THR A 89 -11.752 5.867 10.167 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.746 6.837 10.914 1.00 0.00 H new ATOM 0 HG21 THR A 89 -11.894 8.292 10.450 1.00 0.00 H new ATOM 0 HG22 THR A 89 -10.860 7.843 9.073 1.00 0.00 H new ATOM 0 HG23 THR A 89 -12.507 8.453 8.787 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.313 4.514 8.198 1.00 0.00 N ATOM 1420 CA GLU A 90 -8.940 4.201 7.814 1.00 0.00 C ATOM 1421 C GLU A 90 -8.862 3.840 6.321 1.00 0.00 C ATOM 1422 O GLU A 90 -7.934 4.250 5.629 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.343 3.144 8.762 1.00 0.00 C ATOM 1424 CG GLU A 90 -6.809 3.254 8.829 1.00 0.00 C ATOM 1425 CD GLU A 90 -6.128 2.559 10.015 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -6.425 2.927 11.178 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -5.235 1.732 9.741 1.00 0.00 O ATOM 0 H GLU A 90 -10.688 3.910 8.929 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.312 5.084 7.929 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.762 3.270 9.760 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.624 2.147 8.421 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.396 2.842 7.908 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.543 4.311 8.853 1.00 0.00 H new ATOM 1434 N ARG A 91 -9.889 3.152 5.807 1.00 0.00 N ATOM 1435 CA ARG A 91 -10.026 2.813 4.389 1.00 0.00 C ATOM 1436 C ARG A 91 -10.071 4.056 3.492 1.00 0.00 C ATOM 1437 O ARG A 91 -9.861 3.942 2.289 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.291 1.968 4.142 1.00 0.00 C ATOM 1439 CG ARG A 91 -11.219 1.165 2.831 1.00 0.00 C ATOM 1440 CD ARG A 91 -12.577 1.064 2.121 1.00 0.00 C ATOM 1441 NE ARG A 91 -13.042 2.366 1.588 1.00 0.00 N ATOM 1442 CZ ARG A 91 -13.977 2.510 0.632 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -14.568 1.432 0.101 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -14.337 3.728 0.224 1.00 0.00 N ATOM 0 H ARG A 91 -10.662 2.810 6.378 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.140 2.235 4.128 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.434 1.282 4.977 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.162 2.623 4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.498 1.634 2.162 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.850 0.162 3.044 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.502 0.347 1.303 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -13.319 0.676 2.819 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.624 3.213 1.973 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.309 0.499 0.421 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -15.277 1.544 -0.624 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.903 4.553 0.637 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.046 3.834 -0.501 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.392 5.228 4.039 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.545 6.454 3.290 1.00 0.00 C ATOM 1460 C GLU A 92 -9.390 7.411 3.585 1.00 0.00 C ATOM 1461 O GLU A 92 -9.043 8.249 2.757 1.00 0.00 O ATOM 1462 CB GLU A 92 -11.901 7.062 3.677 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.527 7.664 2.419 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.050 6.588 1.465 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -13.305 5.447 1.919 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -13.197 6.902 0.270 1.00 0.00 O ATOM 0 H GLU A 92 -10.555 5.344 5.039 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.521 6.261 2.217 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.554 6.298 4.099 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.771 7.828 4.441 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.346 8.325 2.703 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.787 8.276 1.904 1.00 0.00 H new ATOM 1473 N ASP A 93 -8.876 7.367 4.810 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.743 8.135 5.314 1.00 0.00 C ATOM 1475 C ASP A 93 -6.469 7.683 4.613 1.00 0.00 C ATOM 1476 O ASP A 93 -5.781 8.472 3.971 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.645 7.935 6.842 1.00 0.00 C ATOM 1478 CG ASP A 93 -8.135 9.104 7.685 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -8.190 10.231 7.150 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -8.452 8.845 8.866 1.00 0.00 O ATOM 0 H ASP A 93 -9.266 6.753 5.525 1.00 0.00 H new ATOM 0 HA ASP A 93 -7.880 9.197 5.109 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -8.218 7.048 7.113 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.605 7.734 7.099 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.156 6.395 4.694 1.00 0.00 N ATOM 1486 CA LEU A 94 -4.969 5.840 4.059 1.00 0.00 C ATOM 1487 C LEU A 94 -4.995 6.116 2.562 1.00 0.00 C ATOM 1488 O LEU A 94 -4.014 6.571 1.971 1.00 0.00 O ATOM 1489 CB LEU A 94 -4.923 4.334 4.336 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.351 4.016 5.725 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -2.839 4.010 5.598 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.677 5.015 6.840 1.00 0.00 C ATOM 0 H LEU A 94 -6.716 5.709 5.200 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.074 6.309 4.468 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.929 3.921 4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.316 3.845 3.574 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.806 3.069 6.014 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.393 3.787 6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.537 3.250 4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.499 4.988 5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.219 4.683 7.772 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.287 5.997 6.574 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.758 5.077 6.969 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.161 5.890 1.961 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.362 6.034 0.533 1.00 0.00 C ATOM 1506 C ILE A 95 -6.597 7.515 0.193 1.00 0.00 C ATOM 1507 O ILE A 95 -6.856 7.842 -0.963 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.489 5.082 0.071 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.407 3.684 0.725 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.489 4.908 -1.457 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -6.145 2.892 0.390 1.00 0.00 C ATOM 0 H ILE A 95 -6.999 5.598 2.464 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.473 5.737 -0.024 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.415 5.558 0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.469 3.801 1.807 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.276 3.103 0.417 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.294 4.233 -1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.639 5.877 -1.934 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.534 4.491 -1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.177 1.926 0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.088 2.738 -0.688 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.268 3.446 0.724 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.461 8.433 1.165 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.406 9.856 0.891 1.00 0.00 C ATOM 1525 C ALA A 96 -4.935 10.241 0.884 1.00 0.00 C ATOM 1526 O ALA A 96 -4.441 10.728 -0.131 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.218 10.633 1.926 1.00 0.00 C ATOM 0 H ALA A 96 -6.387 8.198 2.155 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.851 10.102 -0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.165 11.699 1.704 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.257 10.307 1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.812 10.449 2.920 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.225 9.964 1.986 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.797 10.224 2.064 1.00 0.00 C ATOM 1535 C TYR A 97 -2.074 9.666 0.853 1.00 0.00 C ATOM 1536 O TYR A 97 -1.401 10.427 0.174 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.149 9.656 3.326 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.618 9.651 3.286 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.102 10.723 2.710 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.095 8.547 3.789 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.505 10.749 2.768 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.502 8.545 3.780 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.213 9.647 3.272 1.00 0.00 C ATOM 1544 OH TYR A 97 3.577 9.676 3.234 1.00 0.00 O ATOM 0 H TYR A 97 -4.625 9.559 2.833 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.700 11.309 2.095 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.479 10.239 4.186 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.503 8.636 3.477 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.430 11.527 2.223 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.441 7.697 4.184 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.041 11.621 2.423 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.040 7.691 4.166 1.00 0.00 H new ATOM 0 HH TYR A 97 3.922 8.762 3.155 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.161 8.365 0.577 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.329 7.798 -0.482 1.00 0.00 C ATOM 1556 C LEU A 98 -1.637 8.410 -1.846 1.00 0.00 C ATOM 1557 O LEU A 98 -0.773 8.464 -2.726 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.433 6.276 -0.504 1.00 0.00 C ATOM 1559 CG LEU A 98 -0.959 5.660 0.819 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.109 4.142 0.716 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.494 6.005 1.174 1.00 0.00 C ATOM 0 H LEU A 98 -2.776 7.705 1.053 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.294 8.055 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.466 5.984 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.835 5.881 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.574 6.078 1.616 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.778 3.680 1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.155 3.891 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.501 3.772 -0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.758 5.535 2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.157 5.639 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.600 7.086 1.263 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.853 8.933 -2.000 1.00 0.00 N ATOM 1574 CA LYS A 99 -3.297 9.554 -3.234 1.00 0.00 C ATOM 1575 C LYS A 99 -2.559 10.868 -3.487 1.00 0.00 C ATOM 1576 O LYS A 99 -2.607 11.403 -4.590 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.822 9.724 -3.180 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.455 9.400 -4.538 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.979 9.231 -4.467 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.775 10.531 -4.642 1.00 0.00 C ATOM 1581 NZ LYS A 99 -7.537 11.488 -3.544 1.00 0.00 N ATOM 0 H LYS A 99 -3.558 8.934 -1.263 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.056 8.914 -4.083 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.238 9.069 -2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.068 10.746 -2.894 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.216 10.197 -5.243 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.012 8.484 -4.930 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.289 8.524 -5.237 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -7.238 8.789 -3.505 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.504 10.995 -5.590 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.839 10.299 -4.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.315 12.178 -3.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.490 10.975 -2.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.639 11.986 -3.707 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.879 11.375 -2.458 1.00 0.00 N ATOM 1596 CA LYS A 100 -1.040 12.531 -2.457 1.00 0.00 C ATOM 1597 C LYS A 100 0.419 12.084 -2.287 1.00 0.00 C ATOM 1598 O LYS A 100 1.282 12.715 -2.870 1.00 0.00 O ATOM 1599 CB LYS A 100 -1.576 13.426 -1.330 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.498 14.123 -0.517 1.00 0.00 C ATOM 1601 CD LYS A 100 0.282 15.124 -1.386 1.00 0.00 C ATOM 1602 CE LYS A 100 0.067 16.595 -1.019 1.00 0.00 C ATOM 1603 NZ LYS A 100 0.855 16.981 0.169 1.00 0.00 N ATOM 0 H LYS A 100 -1.917 10.937 -1.537 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.055 13.101 -3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.233 14.181 -1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.185 12.820 -0.659 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -0.952 14.644 0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 100 0.187 13.383 -0.103 1.00 0.00 H new ATOM 0 HD2 LYS A 100 1.345 14.897 -1.312 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.003 14.978 -2.428 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.348 17.226 -1.863 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.991 16.772 -0.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.658 17.974 0.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.594 16.373 0.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.869 16.868 -0.035 1.00 0.00 H new ATOM 1617 N ALA A 101 0.722 11.022 -1.524 1.00 0.00 N ATOM 1618 CA ALA A 101 2.082 10.542 -1.264 1.00 0.00 C ATOM 1619 C ALA A 101 2.781 10.200 -2.568 1.00 0.00 C ATOM 1620 O ALA A 101 3.929 10.564 -2.804 1.00 0.00 O ATOM 1621 CB ALA A 101 2.067 9.312 -0.353 1.00 0.00 C ATOM 0 H ALA A 101 0.007 10.461 -1.060 1.00 0.00 H new ATOM 0 HA ALA A 101 2.626 11.341 -0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.089 8.977 -0.177 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.600 9.569 0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.501 8.512 -0.831 1.00 0.00 H new ATOM 1627 N THR A 102 2.041 9.522 -3.444 1.00 0.00 N ATOM 1628 CA THR A 102 2.483 9.197 -4.788 1.00 0.00 C ATOM 1629 C THR A 102 2.906 10.433 -5.600 1.00 0.00 C ATOM 1630 O THR A 102 3.568 10.289 -6.628 1.00 0.00 O ATOM 1631 CB THR A 102 1.366 8.404 -5.470 1.00 0.00 C ATOM 1632 OG1 THR A 102 0.113 9.046 -5.324 1.00 0.00 O ATOM 1633 CG2 THR A 102 1.269 7.018 -4.833 1.00 0.00 C ATOM 0 H THR A 102 1.104 9.180 -3.231 1.00 0.00 H new ATOM 0 HA THR A 102 3.387 8.591 -4.731 1.00 0.00 H new ATOM 0 HB THR A 102 1.606 8.333 -6.531 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.300 8.769 -4.480 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.474 6.450 -5.316 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.216 6.494 -4.957 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.047 7.120 -3.771 1.00 0.00 H new ATOM 1641 N ASN A 103 2.530 11.632 -5.142 1.00 0.00 N ATOM 1642 CA ASN A 103 2.940 12.921 -5.673 1.00 0.00 C ATOM 1643 C ASN A 103 3.288 13.899 -4.534 1.00 0.00 C ATOM 1644 O ASN A 103 2.975 15.084 -4.635 1.00 0.00 O ATOM 1645 CB ASN A 103 1.791 13.441 -6.553 1.00 0.00 C ATOM 1646 CG ASN A 103 2.177 14.643 -7.408 1.00 0.00 C ATOM 1647 OD1 ASN A 103 1.548 15.694 -7.347 1.00 0.00 O ATOM 1648 ND2 ASN A 103 3.177 14.481 -8.270 1.00 0.00 N ATOM 0 H ASN A 103 1.897 11.726 -4.348 1.00 0.00 H new ATOM 0 HA ASN A 103 3.845 12.824 -6.273 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.450 12.636 -7.204 1.00 0.00 H new ATOM 0 HB3 ASN A 103 0.950 13.714 -5.915 1.00 0.00 H new ATOM 0 HD21 ASN A 103 3.436 15.241 -8.899 1.00 0.00 H new ATOM 0 HD22 ASN A 103 3.685 13.597 -8.301 1.00 0.00 H new ATOM 1655 N GLU A 104 3.907 13.408 -3.450 1.00 0.00 N ATOM 1656 CA GLU A 104 4.536 14.261 -2.441 1.00 0.00 C ATOM 1657 C GLU A 104 5.867 14.756 -3.028 1.00 0.00 C ATOM 1658 O GLU A 104 6.334 15.822 -2.572 1.00 0.00 O ATOM 1659 CB GLU A 104 4.766 13.484 -1.124 1.00 0.00 C ATOM 1660 CG GLU A 104 3.673 13.592 -0.044 1.00 0.00 C ATOM 1661 CD GLU A 104 3.657 14.903 0.735 1.00 0.00 C ATOM 1662 OE1 GLU A 104 3.186 15.906 0.158 1.00 0.00 O ATOM 1663 OE2 GLU A 104 3.984 14.872 1.941 1.00 0.00 O ATOM 1664 OXT GLU A 104 6.399 14.055 -3.920 1.00 0.00 O ATOM 0 H GLU A 104 3.983 12.410 -3.252 1.00 0.00 H new ATOM 0 HA GLU A 104 3.890 15.104 -2.198 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.894 12.430 -1.371 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.705 13.826 -0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.701 13.458 -0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.799 12.770 0.661 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 1.639 -2.966 2.700 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.519 -4.213 -0.499 1.00 0.00 C HETATM 1674 CHB HEC A 105 -0.214 -0.510 1.275 1.00 0.00 C HETATM 1675 CHC HEC A 105 0.823 -1.966 5.857 1.00 0.00 C HETATM 1676 CHD HEC A 105 3.696 -5.447 4.078 1.00 0.00 C HETATM 1677 NA HEC A 105 1.191 -2.484 0.738 1.00 0.00 N HETATM 1678 C1A HEC A 105 1.676 -3.099 -0.399 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.181 -2.348 -1.532 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.333 -1.378 -1.037 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.419 -1.415 0.408 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.570 -0.482 -1.853 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.487 -2.606 -2.997 1.00 0.00 C HETATM 1684 CBA HEC A 105 2.963 -2.507 -3.411 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.108 -2.319 -4.912 1.00 0.00 C HETATM 1686 O1A HEC A 105 3.501 -1.209 -5.325 1.00 0.00 O HETATM 1687 O2A HEC A 105 2.793 -3.288 -5.635 1.00 0.00 O HETATM 1688 NB HEC A 105 0.518 -1.485 3.440 1.00 0.00 N HETATM 1689 C1B HEC A 105 -0.154 -0.580 2.684 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.799 0.336 3.604 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.572 -0.127 4.892 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.311 -1.259 4.769 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.528 1.594 3.199 1.00 0.00 C HETATM 1694 CAB HEC A 105 -1.194 0.303 6.220 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.717 0.424 6.210 1.00 0.00 C HETATM 1696 NC HEC A 105 2.161 -3.592 4.611 1.00 0.00 N HETATM 1697 C1C HEC A 105 1.707 -3.016 5.741 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.325 -3.673 6.864 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.221 -4.583 6.354 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.034 -4.584 4.923 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.087 -3.334 8.312 1.00 0.00 C HETATM 1702 CAC HEC A 105 4.375 -5.258 7.070 1.00 0.00 C HETATM 1703 CBC HEC A 105 3.993 -6.410 7.999 1.00 0.00 C HETATM 1704 ND HEC A 105 2.866 -4.577 1.926 1.00 0.00 N HETATM 1705 C1D HEC A 105 3.587 -5.432 2.701 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.240 -6.384 1.836 1.00 0.00 C HETATM 1707 C3D HEC A 105 3.925 -6.042 0.547 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.046 -4.887 0.605 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.146 -7.527 2.234 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.447 -6.765 -0.671 1.00 0.00 C HETATM 1711 CBD HEC A 105 3.342 -7.361 -1.540 1.00 0.00 C HETATM 1712 CGD HEC A 105 2.787 -8.708 -1.090 1.00 0.00 C HETATM 1713 O1D HEC A 105 1.674 -8.998 -1.587 1.00 0.00 O HETATM 1714 O2D HEC A 105 3.407 -9.406 -0.257 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.014 -7.135 2.764 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 4.603 -8.213 2.884 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 5.475 -8.058 1.341 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.372 -2.298 8.495 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.031 -3.467 8.548 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 2.686 -3.991 8.943 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.841 2.262 2.679 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -2.355 1.338 2.537 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.915 2.092 4.088 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.032 0.111 -2.542 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -1.273 -1.093 -2.419 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -1.121 0.183 -1.188 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 2.519 -6.648 -1.584 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 3.725 -7.469 -2.555 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 3.323 -6.043 8.777 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 3.491 -7.189 7.425 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 4.892 -6.820 8.459 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -3.018 1.165 5.470 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -3.157 -0.541 5.957 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -3.064 0.734 7.196 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 3.433 -1.672 -2.891 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 3.490 -3.410 -3.104 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 5.037 -6.072 -1.271 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.118 -7.562 -0.352 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.126 -3.603 -3.252 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 0.915 -1.897 -3.596 1.00 0.00 H new HETATM 0 HHD HEC A 105 4.351 -6.193 4.527 1.00 0.00 H new HETATM 0 HHC HEC A 105 0.505 -1.670 6.857 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.791 0.301 0.830 1.00 0.00 H new HETATM 0 HHA HEC A 105 2.778 -4.574 -1.494 1.00 0.00 H new HETATM 0 H2D HEC A 105 3.356 -8.984 0.626 1.00 0.00 H new HETATM 0 H2A HEC A 105 1.855 -3.524 -5.476 1.00 0.00 H new