USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 762 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 86 THR OG1 : rot -37:sc= 1.23 USER MOD Set 2.1: A 15 ASN : amide:sc= -0.0208 K(o=-0.9,f=1.9) USER MOD Set 2.2: A 43 CYS SG : rot 170:sc= -0.879 USER MOD Single : A 1 MET N :NH3+ 176:sc= 0.439 (180deg=0.433) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0262) USER MOD Single : A 6 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.24) USER MOD Single : A 7 LYS NZ :NH3+ -135:sc= 1.38 (180deg=-1.42!) USER MOD Single : A 11 SER OG : rot -89:sc= 1.17 USER MOD Single : A 13 ASN : amide:sc= 0.676 K(o=0.68,f=-1) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= -0.0974 (180deg=-0.487) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0963 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 63:sc= 0.547 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 83:sc= 1 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -4.51! C(o=-4.5!,f=-2.3!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00268 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 41 THR OG1 : rot 1:sc= 1.18 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -146:sc= -1.8 (180deg=-4.5!) USER MOD Single : A 53 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0155) USER MOD Single : A 55 GLN : amide:sc= -0.55 X(o=-0.55,f=-0.22) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc=-0.00773 K(o=-0.0077,f=-1) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 171:sc= 1.22 (180deg=0.876) USER MOD Single : A 73 LYS NZ :NH3+ 137:sc= -0.0762 (180deg=-0.37) USER MOD Single : A 75 ASN : amide:sc= -0.122 K(o=-0.12,f=-0.63) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0248 USER MOD Single : A 83 SER OG : rot 180:sc= 0.175 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.014) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 91 HIS : no HD1:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : A 92 HIS : no HE2:sc= 0.27 K(o=0.27,f=-5.9!) USER MOD Single : A 93 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=-0.014) USER MOD Single : A 94 HIS : no HD1:sc= 0.839 K(o=0.85,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.055 6.747 12.088 1.00 0.00 N ATOM 2 CA MET A 1 9.062 7.265 10.706 1.00 0.00 C ATOM 3 C MET A 1 9.597 8.688 10.680 1.00 0.00 C ATOM 4 O MET A 1 8.870 9.636 10.975 1.00 0.00 O ATOM 5 CB MET A 1 7.653 7.228 10.100 1.00 0.00 C ATOM 6 CG MET A 1 7.072 5.829 9.959 1.00 0.00 C ATOM 7 SD MET A 1 6.662 5.076 11.547 1.00 0.00 S ATOM 8 CE MET A 1 6.049 3.481 11.017 1.00 0.00 C ATOM 0 H1 MET A 1 8.625 5.800 12.102 1.00 0.00 H new ATOM 0 H2 MET A 1 10.031 6.689 12.442 1.00 0.00 H new ATOM 0 H3 MET A 1 8.504 7.386 12.696 1.00 0.00 H new ATOM 0 HA MET A 1 9.713 6.626 10.109 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.986 7.825 10.722 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.680 7.699 9.117 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.175 5.874 9.342 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.788 5.195 9.436 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.754 2.896 11.889 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.186 3.621 10.365 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.832 2.952 10.474 1.00 0.00 H new ATOM 20 N VAL A 2 10.872 8.839 10.346 1.00 0.00 N ATOM 21 CA VAL A 2 11.490 10.156 10.283 1.00 0.00 C ATOM 22 C VAL A 2 12.382 10.287 9.052 1.00 0.00 C ATOM 23 O VAL A 2 13.180 9.396 8.765 1.00 0.00 O ATOM 24 CB VAL A 2 12.323 10.468 11.553 1.00 0.00 C ATOM 25 CG1 VAL A 2 11.419 10.685 12.758 1.00 0.00 C ATOM 26 CG2 VAL A 2 13.326 9.357 11.840 1.00 0.00 C ATOM 0 H VAL A 2 11.497 8.067 10.115 1.00 0.00 H new ATOM 0 HA VAL A 2 10.675 10.877 10.218 1.00 0.00 H new ATOM 0 HB VAL A 2 12.876 11.388 11.365 1.00 0.00 H new ATOM 0 HG11 VAL A 2 12.028 10.902 13.635 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.750 11.523 12.564 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.831 9.785 12.938 1.00 0.00 H new ATOM 0 HG21 VAL A 2 13.896 9.604 12.736 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.794 8.418 11.995 1.00 0.00 H new ATOM 0 HG23 VAL A 2 14.006 9.254 10.995 1.00 0.00 H new ATOM 36 N LYS A 3 12.224 11.402 8.332 1.00 0.00 N ATOM 37 CA LYS A 3 13.049 11.724 7.160 1.00 0.00 C ATOM 38 C LYS A 3 12.905 10.692 6.038 1.00 0.00 C ATOM 39 O LYS A 3 13.479 9.605 6.099 1.00 0.00 O ATOM 40 CB LYS A 3 14.515 11.875 7.576 1.00 0.00 C ATOM 41 CG LYS A 3 14.755 13.091 8.452 1.00 0.00 C ATOM 42 CD LYS A 3 16.049 12.979 9.239 1.00 0.00 C ATOM 43 CE LYS A 3 16.305 14.239 10.047 1.00 0.00 C ATOM 44 NZ LYS A 3 17.387 14.053 11.045 1.00 0.00 N ATOM 0 H LYS A 3 11.520 12.109 8.544 1.00 0.00 H new ATOM 0 HA LYS A 3 12.689 12.671 6.758 1.00 0.00 H new ATOM 0 HB2 LYS A 3 14.830 10.979 8.111 1.00 0.00 H new ATOM 0 HB3 LYS A 3 15.136 11.948 6.683 1.00 0.00 H new ATOM 0 HG2 LYS A 3 14.785 13.986 7.830 1.00 0.00 H new ATOM 0 HG3 LYS A 3 13.920 13.211 9.142 1.00 0.00 H new ATOM 0 HD2 LYS A 3 16.000 12.119 9.906 1.00 0.00 H new ATOM 0 HD3 LYS A 3 16.880 12.805 8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 3 16.570 15.053 9.373 1.00 0.00 H new ATOM 0 HE3 LYS A 3 15.388 14.534 10.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 17.528 14.938 11.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 17.124 13.294 11.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 18.269 13.797 10.557 1.00 0.00 H new ATOM 58 N ASP A 4 12.139 11.069 5.005 1.00 0.00 N ATOM 59 CA ASP A 4 11.838 10.189 3.867 1.00 0.00 C ATOM 60 C ASP A 4 10.875 9.095 4.325 1.00 0.00 C ATOM 61 O ASP A 4 10.824 7.996 3.771 1.00 0.00 O ATOM 62 CB ASP A 4 13.129 9.593 3.280 1.00 0.00 C ATOM 63 CG ASP A 4 12.950 9.053 1.876 1.00 0.00 C ATOM 64 OD1 ASP A 4 12.545 9.833 0.988 1.00 0.00 O ATOM 65 OD2 ASP A 4 13.280 7.866 1.634 1.00 0.00 O ATOM 0 H ASP A 4 11.711 11.992 4.935 1.00 0.00 H new ATOM 0 HA ASP A 4 11.364 10.767 3.074 1.00 0.00 H new ATOM 0 HB2 ASP A 4 13.905 10.359 3.272 1.00 0.00 H new ATOM 0 HB3 ASP A 4 13.480 8.791 3.929 1.00 0.00 H new ATOM 70 N LYS A 5 10.070 9.453 5.323 1.00 0.00 N ATOM 71 CA LYS A 5 9.201 8.508 6.013 1.00 0.00 C ATOM 72 C LYS A 5 8.048 8.031 5.133 1.00 0.00 C ATOM 73 O LYS A 5 7.497 6.956 5.364 1.00 0.00 O ATOM 74 CB LYS A 5 8.655 9.131 7.304 1.00 0.00 C ATOM 75 CG LYS A 5 7.674 10.279 7.092 1.00 0.00 C ATOM 76 CD LYS A 5 7.184 10.836 8.422 1.00 0.00 C ATOM 77 CE LYS A 5 6.057 11.846 8.248 1.00 0.00 C ATOM 78 NZ LYS A 5 6.470 13.019 7.437 1.00 0.00 N ATOM 0 H LYS A 5 10.003 10.408 5.675 1.00 0.00 H new ATOM 0 HA LYS A 5 9.806 7.635 6.258 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.162 8.353 7.887 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.493 9.493 7.900 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.155 11.071 6.518 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.824 9.931 6.505 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.839 10.016 9.052 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.016 11.310 8.943 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.206 11.359 7.771 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.722 12.185 9.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.692 13.709 7.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.307 13.461 7.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.700 12.710 6.471 1.00 0.00 H new ATOM 92 N GLN A 6 7.677 8.830 4.136 1.00 0.00 N ATOM 93 CA GLN A 6 6.575 8.467 3.245 1.00 0.00 C ATOM 94 C GLN A 6 6.893 7.154 2.533 1.00 0.00 C ATOM 95 O GLN A 6 6.035 6.288 2.375 1.00 0.00 O ATOM 96 CB GLN A 6 6.325 9.576 2.212 1.00 0.00 C ATOM 97 CG GLN A 6 4.858 9.961 2.055 1.00 0.00 C ATOM 98 CD GLN A 6 3.968 8.789 1.687 1.00 0.00 C ATOM 99 OE1 GLN A 6 3.446 8.097 2.558 1.00 0.00 O ATOM 100 NE2 GLN A 6 3.765 8.574 0.397 1.00 0.00 N ATOM 0 H GLN A 6 8.118 9.725 3.925 1.00 0.00 H new ATOM 0 HA GLN A 6 5.673 8.342 3.843 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.893 10.461 2.500 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.710 9.251 1.245 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.503 10.400 2.987 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.771 10.730 1.287 1.00 0.00 H new ATOM 0 HE21 GLN A 6 4.216 9.170 -0.297 1.00 0.00 H new ATOM 0 HE22 GLN A 6 3.157 7.812 0.096 1.00 0.00 H new ATOM 109 N LYS A 7 8.149 7.005 2.139 1.00 0.00 N ATOM 110 CA LYS A 7 8.600 5.813 1.440 1.00 0.00 C ATOM 111 C LYS A 7 8.663 4.610 2.379 1.00 0.00 C ATOM 112 O LYS A 7 8.536 3.468 1.942 1.00 0.00 O ATOM 113 CB LYS A 7 9.960 6.081 0.799 1.00 0.00 C ATOM 114 CG LYS A 7 9.877 7.019 -0.396 1.00 0.00 C ATOM 115 CD LYS A 7 11.240 7.501 -0.876 1.00 0.00 C ATOM 116 CE LYS A 7 12.178 6.362 -1.251 1.00 0.00 C ATOM 117 NZ LYS A 7 12.832 5.751 -0.062 1.00 0.00 N ATOM 0 H LYS A 7 8.878 7.701 2.294 1.00 0.00 H new ATOM 0 HA LYS A 7 7.880 5.572 0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.629 6.509 1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.399 5.135 0.482 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.370 6.509 -1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.266 7.882 -0.131 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.105 8.152 -1.740 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.703 8.102 -0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.619 5.596 -1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.943 6.734 -1.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.845 5.615 -0.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.717 6.379 0.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 12.392 4.831 0.142 1.00 0.00 H new ATOM 131 N ALA A 8 8.859 4.874 3.666 1.00 0.00 N ATOM 132 CA ALA A 8 8.888 3.815 4.671 1.00 0.00 C ATOM 133 C ALA A 8 7.476 3.318 4.972 1.00 0.00 C ATOM 134 O ALA A 8 7.255 2.124 5.173 1.00 0.00 O ATOM 135 CB ALA A 8 9.567 4.307 5.943 1.00 0.00 C ATOM 0 H ALA A 8 9.000 5.813 4.039 1.00 0.00 H new ATOM 0 HA ALA A 8 9.465 2.980 4.274 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.580 3.506 6.682 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.590 4.608 5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.018 5.159 6.342 1.00 0.00 H new ATOM 141 N ILE A 9 6.523 4.240 4.994 1.00 0.00 N ATOM 142 CA ILE A 9 5.127 3.890 5.223 1.00 0.00 C ATOM 143 C ILE A 9 4.589 3.060 4.059 1.00 0.00 C ATOM 144 O ILE A 9 4.048 1.973 4.255 1.00 0.00 O ATOM 145 CB ILE A 9 4.252 5.151 5.400 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.718 5.958 6.617 1.00 0.00 C ATOM 147 CG2 ILE A 9 2.783 4.773 5.539 1.00 0.00 C ATOM 148 CD1 ILE A 9 3.980 7.267 6.801 1.00 0.00 C ATOM 0 H ILE A 9 6.691 5.237 4.856 1.00 0.00 H new ATOM 0 HA ILE A 9 5.082 3.305 6.141 1.00 0.00 H new ATOM 0 HB ILE A 9 4.361 5.772 4.511 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.592 5.351 7.514 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.784 6.163 6.519 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.185 5.676 5.663 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.458 4.242 4.644 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.654 4.130 6.410 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.365 7.781 7.682 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.127 7.894 5.922 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.916 7.070 6.932 1.00 0.00 H new ATOM 160 N PHE A 10 4.784 3.581 2.849 1.00 0.00 N ATOM 161 CA PHE A 10 4.321 2.932 1.623 1.00 0.00 C ATOM 162 C PHE A 10 4.829 1.494 1.525 1.00 0.00 C ATOM 163 O PHE A 10 4.061 0.566 1.261 1.00 0.00 O ATOM 164 CB PHE A 10 4.791 3.741 0.405 1.00 0.00 C ATOM 165 CG PHE A 10 4.434 3.130 -0.922 1.00 0.00 C ATOM 166 CD1 PHE A 10 3.172 3.306 -1.465 1.00 0.00 C ATOM 167 CD2 PHE A 10 5.366 2.385 -1.629 1.00 0.00 C ATOM 168 CE1 PHE A 10 2.846 2.751 -2.690 1.00 0.00 C ATOM 169 CE2 PHE A 10 5.046 1.827 -2.853 1.00 0.00 C ATOM 170 CZ PHE A 10 3.784 2.009 -3.382 1.00 0.00 C ATOM 0 H PHE A 10 5.267 4.465 2.690 1.00 0.00 H new ATOM 0 HA PHE A 10 3.232 2.898 1.644 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.359 4.740 0.459 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.873 3.858 0.458 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.434 3.883 -0.927 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.354 2.239 -1.218 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.860 2.898 -3.105 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.782 1.250 -3.394 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.530 1.572 -4.336 1.00 0.00 H new ATOM 180 N SER A 11 6.120 1.316 1.753 1.00 0.00 N ATOM 181 CA SER A 11 6.745 0.012 1.619 1.00 0.00 C ATOM 182 C SER A 11 6.249 -0.965 2.674 1.00 0.00 C ATOM 183 O SER A 11 5.911 -2.098 2.353 1.00 0.00 O ATOM 184 CB SER A 11 8.254 0.150 1.702 1.00 0.00 C ATOM 185 OG SER A 11 8.633 0.941 2.813 1.00 0.00 O ATOM 0 H SER A 11 6.757 2.062 2.033 1.00 0.00 H new ATOM 0 HA SER A 11 6.469 -0.390 0.644 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.709 -0.837 1.783 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.632 0.601 0.785 1.00 0.00 H new ATOM 0 HG SER A 11 8.666 1.884 2.547 1.00 0.00 H new ATOM 191 N GLU A 12 6.208 -0.524 3.927 1.00 0.00 N ATOM 192 CA GLU A 12 5.760 -1.376 5.026 1.00 0.00 C ATOM 193 C GLU A 12 4.349 -1.910 4.762 1.00 0.00 C ATOM 194 O GLU A 12 4.056 -3.082 5.016 1.00 0.00 O ATOM 195 CB GLU A 12 5.782 -0.595 6.339 1.00 0.00 C ATOM 196 CG GLU A 12 5.568 -1.459 7.572 1.00 0.00 C ATOM 197 CD GLU A 12 6.736 -2.386 7.852 1.00 0.00 C ATOM 198 OE1 GLU A 12 7.795 -1.892 8.293 1.00 0.00 O ATOM 199 OE2 GLU A 12 6.594 -3.610 7.658 1.00 0.00 O ATOM 0 H GLU A 12 6.479 0.418 4.208 1.00 0.00 H new ATOM 0 HA GLU A 12 6.442 -2.223 5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.739 -0.081 6.429 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.009 0.173 6.307 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.406 -0.816 8.437 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.663 -2.052 7.441 1.00 0.00 H new ATOM 206 N ASN A 13 3.485 -1.050 4.240 1.00 0.00 N ATOM 207 CA ASN A 13 2.122 -1.447 3.906 1.00 0.00 C ATOM 208 C ASN A 13 2.128 -2.456 2.767 1.00 0.00 C ATOM 209 O ASN A 13 1.571 -3.546 2.888 1.00 0.00 O ATOM 210 CB ASN A 13 1.280 -0.234 3.507 1.00 0.00 C ATOM 211 CG ASN A 13 1.113 0.777 4.624 1.00 0.00 C ATOM 212 OD1 ASN A 13 1.159 0.439 5.811 1.00 0.00 O ATOM 213 ND2 ASN A 13 0.920 2.028 4.247 1.00 0.00 N ATOM 0 H ASN A 13 3.702 -0.074 4.038 1.00 0.00 H new ATOM 0 HA ASN A 13 1.681 -1.904 4.792 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.744 0.255 2.651 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.296 -0.574 3.185 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.802 2.759 4.948 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.889 2.263 3.255 1.00 0.00 H new ATOM 220 N LEU A 14 2.784 -2.091 1.668 1.00 0.00 N ATOM 221 CA LEU A 14 2.863 -2.948 0.490 1.00 0.00 C ATOM 222 C LEU A 14 3.495 -4.293 0.843 1.00 0.00 C ATOM 223 O LEU A 14 3.047 -5.341 0.377 1.00 0.00 O ATOM 224 CB LEU A 14 3.676 -2.254 -0.608 1.00 0.00 C ATOM 225 CG LEU A 14 3.785 -3.014 -1.931 1.00 0.00 C ATOM 226 CD1 LEU A 14 2.414 -3.178 -2.572 1.00 0.00 C ATOM 227 CD2 LEU A 14 4.737 -2.297 -2.874 1.00 0.00 C ATOM 0 H LEU A 14 3.272 -1.200 1.570 1.00 0.00 H new ATOM 0 HA LEU A 14 1.852 -3.129 0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.229 -1.280 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.682 -2.072 -0.230 1.00 0.00 H new ATOM 0 HG LEU A 14 4.184 -4.008 -1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.514 -3.721 -3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.762 -3.735 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.983 -2.196 -2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.805 -2.849 -3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.365 -1.291 -3.071 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.725 -2.236 -2.417 1.00 0.00 H new ATOM 239 N ASN A 15 4.516 -4.246 1.691 1.00 0.00 N ATOM 240 CA ASN A 15 5.229 -5.438 2.141 1.00 0.00 C ATOM 241 C ASN A 15 4.258 -6.431 2.769 1.00 0.00 C ATOM 242 O ASN A 15 4.349 -7.636 2.547 1.00 0.00 O ATOM 243 CB ASN A 15 6.292 -5.045 3.173 1.00 0.00 C ATOM 244 CG ASN A 15 7.480 -5.988 3.195 1.00 0.00 C ATOM 245 OD1 ASN A 15 7.441 -7.047 3.821 1.00 0.00 O ATOM 246 ND2 ASN A 15 8.563 -5.586 2.546 1.00 0.00 N ATOM 0 H ASN A 15 4.875 -3.377 2.088 1.00 0.00 H new ATOM 0 HA ASN A 15 5.707 -5.905 1.280 1.00 0.00 H new ATOM 0 HB2 ASN A 15 6.642 -4.035 2.958 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.837 -5.021 4.163 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.405 -6.161 2.554 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.555 -4.701 2.039 1.00 0.00 H new ATOM 253 N SER A 16 3.314 -5.902 3.541 1.00 0.00 N ATOM 254 CA SER A 16 2.327 -6.722 4.228 1.00 0.00 C ATOM 255 C SER A 16 1.405 -7.422 3.225 1.00 0.00 C ATOM 256 O SER A 16 1.103 -8.606 3.371 1.00 0.00 O ATOM 257 CB SER A 16 1.511 -5.854 5.194 1.00 0.00 C ATOM 258 OG SER A 16 0.643 -6.638 5.994 1.00 0.00 O ATOM 0 H SER A 16 3.213 -4.901 3.706 1.00 0.00 H new ATOM 0 HA SER A 16 2.849 -7.492 4.797 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.187 -5.289 5.836 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.928 -5.128 4.628 1.00 0.00 H new ATOM 0 HG SER A 16 0.139 -6.054 6.599 1.00 0.00 H new ATOM 264 N TYR A 17 0.976 -6.689 2.203 1.00 0.00 N ATOM 265 CA TYR A 17 0.110 -7.249 1.168 1.00 0.00 C ATOM 266 C TYR A 17 0.838 -8.333 0.380 1.00 0.00 C ATOM 267 O TYR A 17 0.256 -9.364 0.031 1.00 0.00 O ATOM 268 CB TYR A 17 -0.369 -6.153 0.210 1.00 0.00 C ATOM 269 CG TYR A 17 -1.438 -5.247 0.786 1.00 0.00 C ATOM 270 CD1 TYR A 17 -1.142 -4.342 1.795 1.00 0.00 C ATOM 271 CD2 TYR A 17 -2.745 -5.299 0.315 1.00 0.00 C ATOM 272 CE1 TYR A 17 -2.114 -3.513 2.320 1.00 0.00 C ATOM 273 CE2 TYR A 17 -3.724 -4.471 0.835 1.00 0.00 C ATOM 274 CZ TYR A 17 -3.403 -3.581 1.839 1.00 0.00 C ATOM 275 OH TYR A 17 -4.371 -2.753 2.360 1.00 0.00 O ATOM 0 H TYR A 17 1.213 -5.706 2.068 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.755 -7.692 1.663 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.486 -5.545 -0.085 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -0.755 -6.621 -0.696 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.133 -4.285 2.177 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.000 -5.997 -0.469 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.864 -2.814 3.105 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.734 -4.521 0.457 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.225 -2.926 1.912 1.00 0.00 H new ATOM 285 N ILE A 18 2.115 -8.094 0.117 1.00 0.00 N ATOM 286 CA ILE A 18 2.936 -9.033 -0.632 1.00 0.00 C ATOM 287 C ILE A 18 3.237 -10.282 0.199 1.00 0.00 C ATOM 288 O ILE A 18 3.186 -11.398 -0.309 1.00 0.00 O ATOM 289 CB ILE A 18 4.253 -8.364 -1.077 1.00 0.00 C ATOM 290 CG1 ILE A 18 3.956 -7.180 -2.001 1.00 0.00 C ATOM 291 CG2 ILE A 18 5.171 -9.361 -1.772 1.00 0.00 C ATOM 292 CD1 ILE A 18 5.184 -6.371 -2.360 1.00 0.00 C ATOM 0 H ILE A 18 2.607 -7.251 0.414 1.00 0.00 H new ATOM 0 HA ILE A 18 2.377 -9.335 -1.517 1.00 0.00 H new ATOM 0 HB ILE A 18 4.766 -8.001 -0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.495 -7.551 -2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.229 -6.527 -1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.091 -8.860 -2.074 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.409 -10.175 -1.087 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.671 -9.763 -2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.899 -5.549 -3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.634 -5.971 -1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.904 -7.010 -2.871 1.00 0.00 H new ATOM 304 N ALA A 19 3.540 -10.085 1.479 1.00 0.00 N ATOM 305 CA ALA A 19 3.846 -11.197 2.376 1.00 0.00 C ATOM 306 C ALA A 19 2.618 -12.070 2.618 1.00 0.00 C ATOM 307 O ALA A 19 2.734 -13.267 2.871 1.00 0.00 O ATOM 308 CB ALA A 19 4.392 -10.674 3.696 1.00 0.00 C ATOM 0 H ALA A 19 3.580 -9.166 1.919 1.00 0.00 H new ATOM 0 HA ALA A 19 4.606 -11.815 1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.616 -11.513 4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.303 -10.104 3.513 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.649 -10.030 4.167 1.00 0.00 H new ATOM 314 N LYS A 20 1.442 -11.455 2.555 1.00 0.00 N ATOM 315 CA LYS A 20 0.185 -12.178 2.718 1.00 0.00 C ATOM 316 C LYS A 20 -0.087 -13.035 1.495 1.00 0.00 C ATOM 317 O LYS A 20 -0.708 -14.095 1.581 1.00 0.00 O ATOM 318 CB LYS A 20 -0.968 -11.193 2.897 1.00 0.00 C ATOM 319 CG LYS A 20 -2.271 -11.852 3.321 1.00 0.00 C ATOM 320 CD LYS A 20 -3.452 -10.916 3.145 1.00 0.00 C ATOM 321 CE LYS A 20 -4.761 -11.605 3.502 1.00 0.00 C ATOM 322 NZ LYS A 20 -4.943 -12.883 2.760 1.00 0.00 N ATOM 0 H LYS A 20 1.333 -10.454 2.392 1.00 0.00 H new ATOM 0 HA LYS A 20 0.265 -12.813 3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.687 -10.449 3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.128 -10.660 1.960 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.431 -12.756 2.733 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.202 -12.159 4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.318 -10.036 3.774 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.492 -10.567 2.113 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.786 -11.802 4.574 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.594 -10.937 3.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.942 -13.170 2.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.663 -12.751 1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.351 -13.622 3.191 1.00 0.00 H new ATOM 336 N SER A 21 0.378 -12.552 0.359 1.00 0.00 N ATOM 337 CA SER A 21 0.143 -13.211 -0.912 1.00 0.00 C ATOM 338 C SER A 21 0.874 -14.550 -0.988 1.00 0.00 C ATOM 339 O SER A 21 1.985 -14.702 -0.470 1.00 0.00 O ATOM 340 CB SER A 21 0.588 -12.311 -2.065 1.00 0.00 C ATOM 341 OG SER A 21 0.208 -12.859 -3.315 1.00 0.00 O ATOM 0 H SER A 21 0.927 -11.695 0.291 1.00 0.00 H new ATOM 0 HA SER A 21 -0.927 -13.402 -0.995 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.147 -11.321 -1.949 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.670 -12.183 -2.034 1.00 0.00 H new ATOM 0 HG SER A 21 0.502 -12.264 -4.036 1.00 0.00 H new ATOM 347 N GLU A 22 0.230 -15.514 -1.634 1.00 0.00 N ATOM 348 CA GLU A 22 0.815 -16.832 -1.855 1.00 0.00 C ATOM 349 C GLU A 22 1.627 -16.840 -3.147 1.00 0.00 C ATOM 350 O GLU A 22 2.203 -17.861 -3.528 1.00 0.00 O ATOM 351 CB GLU A 22 -0.287 -17.894 -1.948 1.00 0.00 C ATOM 352 CG GLU A 22 -1.188 -17.965 -0.725 1.00 0.00 C ATOM 353 CD GLU A 22 -0.441 -18.369 0.527 1.00 0.00 C ATOM 354 OE1 GLU A 22 -0.114 -19.564 0.671 1.00 0.00 O ATOM 355 OE2 GLU A 22 -0.192 -17.501 1.382 1.00 0.00 O ATOM 0 H GLU A 22 -0.709 -15.406 -2.018 1.00 0.00 H new ATOM 0 HA GLU A 22 1.469 -17.061 -1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.900 -17.690 -2.826 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.175 -18.869 -2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.656 -16.993 -0.567 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.991 -18.679 -0.911 1.00 0.00 H new ATOM 362 N LYS A 23 1.658 -15.698 -3.824 1.00 0.00 N ATOM 363 CA LYS A 23 2.313 -15.582 -5.109 1.00 0.00 C ATOM 364 C LYS A 23 3.772 -15.168 -4.961 1.00 0.00 C ATOM 365 O LYS A 23 4.284 -15.017 -3.848 1.00 0.00 O ATOM 366 CB LYS A 23 1.560 -14.569 -5.968 1.00 0.00 C ATOM 367 CG LYS A 23 0.182 -15.043 -6.404 1.00 0.00 C ATOM 368 CD LYS A 23 0.261 -16.362 -7.154 1.00 0.00 C ATOM 369 CE LYS A 23 -1.109 -16.840 -7.605 1.00 0.00 C ATOM 370 NZ LYS A 23 -1.038 -18.159 -8.289 1.00 0.00 N ATOM 0 H LYS A 23 1.230 -14.833 -3.494 1.00 0.00 H new ATOM 0 HA LYS A 23 2.300 -16.559 -5.592 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.455 -13.639 -5.409 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.154 -14.344 -6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.458 -15.158 -5.530 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.280 -14.288 -7.040 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.910 -16.248 -8.022 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.716 -17.117 -6.513 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.770 -16.914 -6.742 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.546 -16.104 -8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.993 -18.450 -8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.427 -18.083 -9.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.644 -18.867 -7.637 1.00 0.00 H new ATOM 384 N THR A 24 4.429 -14.987 -6.096 1.00 0.00 N ATOM 385 CA THR A 24 5.836 -14.619 -6.128 1.00 0.00 C ATOM 386 C THR A 24 6.000 -13.145 -6.477 1.00 0.00 C ATOM 387 O THR A 24 5.170 -12.572 -7.181 1.00 0.00 O ATOM 388 CB THR A 24 6.588 -15.466 -7.163 1.00 0.00 C ATOM 389 OG1 THR A 24 5.775 -16.582 -7.568 1.00 0.00 O ATOM 390 CG2 THR A 24 7.898 -15.980 -6.591 1.00 0.00 C ATOM 0 H THR A 24 4.004 -15.091 -7.017 1.00 0.00 H new ATOM 0 HA THR A 24 6.251 -14.802 -5.137 1.00 0.00 H new ATOM 0 HB THR A 24 6.804 -14.836 -8.026 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.959 -16.253 -8.000 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.414 -16.578 -7.343 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.526 -15.136 -6.305 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.696 -16.595 -5.714 1.00 0.00 H new ATOM 398 N GLN A 25 7.071 -12.538 -5.989 1.00 0.00 N ATOM 399 CA GLN A 25 7.352 -11.136 -6.280 1.00 0.00 C ATOM 400 C GLN A 25 7.655 -10.968 -7.761 1.00 0.00 C ATOM 401 O GLN A 25 7.210 -10.014 -8.399 1.00 0.00 O ATOM 402 CB GLN A 25 8.530 -10.632 -5.448 1.00 0.00 C ATOM 403 CG GLN A 25 8.306 -10.729 -3.947 1.00 0.00 C ATOM 404 CD GLN A 25 9.501 -10.249 -3.152 1.00 0.00 C ATOM 405 OE1 GLN A 25 10.401 -11.025 -2.835 1.00 0.00 O ATOM 406 NE2 GLN A 25 9.516 -8.969 -2.817 1.00 0.00 N ATOM 0 H GLN A 25 7.761 -12.992 -5.390 1.00 0.00 H new ATOM 0 HA GLN A 25 6.472 -10.547 -6.020 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.420 -11.204 -5.711 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.730 -9.593 -5.710 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.431 -10.139 -3.674 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.088 -11.763 -3.681 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.749 -8.359 -3.100 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.294 -8.593 -2.276 1.00 0.00 H new ATOM 415 N LEU A 26 8.422 -11.916 -8.289 1.00 0.00 N ATOM 416 CA LEU A 26 8.725 -11.977 -9.708 1.00 0.00 C ATOM 417 C LEU A 26 7.428 -12.021 -10.504 1.00 0.00 C ATOM 418 O LEU A 26 7.239 -11.276 -11.463 1.00 0.00 O ATOM 419 CB LEU A 26 9.549 -13.234 -9.988 1.00 0.00 C ATOM 420 CG LEU A 26 10.597 -13.109 -11.090 1.00 0.00 C ATOM 421 CD1 LEU A 26 11.414 -14.388 -11.184 1.00 0.00 C ATOM 422 CD2 LEU A 26 9.955 -12.794 -12.434 1.00 0.00 C ATOM 0 H LEU A 26 8.850 -12.663 -7.742 1.00 0.00 H new ATOM 0 HA LEU A 26 9.294 -11.095 -10.003 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.051 -13.529 -9.067 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.866 -14.042 -10.252 1.00 0.00 H new ATOM 0 HG LEU A 26 11.257 -12.281 -10.833 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.158 -14.287 -11.974 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.916 -14.570 -10.234 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.754 -15.225 -11.412 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.729 -12.712 -13.197 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.264 -13.593 -12.703 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.411 -11.852 -12.366 1.00 0.00 H new ATOM 434 N GLU A 27 6.539 -12.891 -10.059 1.00 0.00 N ATOM 435 CA GLU A 27 5.258 -13.117 -10.675 1.00 0.00 C ATOM 436 C GLU A 27 4.402 -11.846 -10.673 1.00 0.00 C ATOM 437 O GLU A 27 3.760 -11.513 -11.675 1.00 0.00 O ATOM 438 CB GLU A 27 4.600 -14.237 -9.885 1.00 0.00 C ATOM 439 CG GLU A 27 3.223 -14.608 -10.340 1.00 0.00 C ATOM 440 CD GLU A 27 2.718 -15.832 -9.615 1.00 0.00 C ATOM 441 OE1 GLU A 27 3.157 -16.069 -8.465 1.00 0.00 O ATOM 442 OE2 GLU A 27 1.911 -16.580 -10.197 1.00 0.00 O ATOM 0 H GLU A 27 6.699 -13.472 -9.236 1.00 0.00 H new ATOM 0 HA GLU A 27 5.370 -13.393 -11.724 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.235 -15.121 -9.940 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.553 -13.943 -8.837 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.543 -13.774 -10.167 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.230 -14.796 -11.414 1.00 0.00 H new ATOM 449 N ILE A 28 4.400 -11.138 -9.548 1.00 0.00 N ATOM 450 CA ILE A 28 3.675 -9.878 -9.443 1.00 0.00 C ATOM 451 C ILE A 28 4.270 -8.836 -10.387 1.00 0.00 C ATOM 452 O ILE A 28 3.563 -8.269 -11.221 1.00 0.00 O ATOM 453 CB ILE A 28 3.694 -9.328 -7.999 1.00 0.00 C ATOM 454 CG1 ILE A 28 3.029 -10.320 -7.043 1.00 0.00 C ATOM 455 CG2 ILE A 28 2.989 -7.979 -7.937 1.00 0.00 C ATOM 456 CD1 ILE A 28 3.086 -9.896 -5.592 1.00 0.00 C ATOM 0 H ILE A 28 4.891 -11.415 -8.698 1.00 0.00 H new ATOM 0 HA ILE A 28 2.641 -10.078 -9.724 1.00 0.00 H new ATOM 0 HB ILE A 28 4.731 -9.193 -7.693 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.987 -10.449 -7.334 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.512 -11.292 -7.148 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.010 -7.604 -6.914 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.497 -7.272 -8.593 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.954 -8.094 -8.260 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.595 -10.648 -4.974 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.126 -9.795 -5.283 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.578 -8.939 -5.472 1.00 0.00 H new ATOM 468 N ALA A 29 5.578 -8.623 -10.273 1.00 0.00 N ATOM 469 CA ALA A 29 6.277 -7.609 -11.060 1.00 0.00 C ATOM 470 C ALA A 29 6.155 -7.871 -12.557 1.00 0.00 C ATOM 471 O ALA A 29 5.930 -6.948 -13.341 1.00 0.00 O ATOM 472 CB ALA A 29 7.743 -7.553 -10.658 1.00 0.00 C ATOM 0 H ALA A 29 6.181 -9.144 -9.637 1.00 0.00 H new ATOM 0 HA ALA A 29 5.807 -6.648 -10.852 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.254 -6.794 -11.251 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.821 -7.301 -9.600 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.206 -8.524 -10.834 1.00 0.00 H new ATOM 478 N LYS A 30 6.291 -9.136 -12.936 1.00 0.00 N ATOM 479 CA LYS A 30 6.221 -9.539 -14.335 1.00 0.00 C ATOM 480 C LYS A 30 4.854 -9.187 -14.915 1.00 0.00 C ATOM 481 O LYS A 30 4.751 -8.716 -16.048 1.00 0.00 O ATOM 482 CB LYS A 30 6.493 -11.047 -14.450 1.00 0.00 C ATOM 483 CG LYS A 30 7.110 -11.476 -15.774 1.00 0.00 C ATOM 484 CD LYS A 30 6.123 -11.377 -16.922 1.00 0.00 C ATOM 485 CE LYS A 30 6.762 -11.765 -18.242 1.00 0.00 C ATOM 486 NZ LYS A 30 5.793 -11.703 -19.364 1.00 0.00 N ATOM 0 H LYS A 30 6.452 -9.907 -12.287 1.00 0.00 H new ATOM 0 HA LYS A 30 6.979 -9.003 -14.906 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.157 -11.347 -13.640 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.555 -11.585 -14.309 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.978 -10.852 -15.988 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.467 -12.502 -15.691 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.269 -12.026 -16.726 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.741 -10.358 -16.987 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.600 -11.100 -18.449 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.167 -12.774 -18.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.268 -11.975 -20.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.005 -12.356 -19.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.426 -10.734 -19.452 1.00 0.00 H new ATOM 500 N SER A 31 3.813 -9.386 -14.119 1.00 0.00 N ATOM 501 CA SER A 31 2.457 -9.084 -14.551 1.00 0.00 C ATOM 502 C SER A 31 2.227 -7.572 -14.617 1.00 0.00 C ATOM 503 O SER A 31 1.401 -7.092 -15.397 1.00 0.00 O ATOM 504 CB SER A 31 1.453 -9.737 -13.603 1.00 0.00 C ATOM 505 OG SER A 31 1.664 -11.138 -13.526 1.00 0.00 O ATOM 0 H SER A 31 3.882 -9.755 -13.171 1.00 0.00 H new ATOM 0 HA SER A 31 2.314 -9.488 -15.553 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.545 -9.297 -12.610 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.438 -9.537 -13.948 1.00 0.00 H new ATOM 0 HG SER A 31 2.378 -11.326 -12.881 1.00 0.00 H new ATOM 511 N ILE A 32 2.962 -6.829 -13.792 1.00 0.00 N ATOM 512 CA ILE A 32 2.898 -5.369 -13.792 1.00 0.00 C ATOM 513 C ILE A 32 3.533 -4.813 -15.063 1.00 0.00 C ATOM 514 O ILE A 32 2.978 -3.930 -15.720 1.00 0.00 O ATOM 515 CB ILE A 32 3.619 -4.773 -12.557 1.00 0.00 C ATOM 516 CG1 ILE A 32 2.955 -5.247 -11.259 1.00 0.00 C ATOM 517 CG2 ILE A 32 3.640 -3.249 -12.623 1.00 0.00 C ATOM 518 CD1 ILE A 32 1.518 -4.806 -11.110 1.00 0.00 C ATOM 0 H ILE A 32 3.613 -7.218 -13.110 1.00 0.00 H new ATOM 0 HA ILE A 32 1.846 -5.085 -13.751 1.00 0.00 H new ATOM 0 HB ILE A 32 4.649 -5.128 -12.564 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.997 -6.335 -11.217 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.529 -4.873 -10.411 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.151 -2.854 -11.745 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.166 -2.931 -13.523 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.618 -2.872 -12.648 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.118 -5.180 -10.167 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.469 -3.717 -11.118 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.928 -5.202 -11.937 1.00 0.00 H new ATOM 530 N GLY A 33 4.689 -5.357 -15.413 1.00 0.00 N ATOM 531 CA GLY A 33 5.416 -4.883 -16.572 1.00 0.00 C ATOM 532 C GLY A 33 6.767 -4.323 -16.193 1.00 0.00 C ATOM 533 O GLY A 33 7.363 -3.546 -16.938 1.00 0.00 O ATOM 0 H GLY A 33 5.139 -6.123 -14.911 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.547 -5.702 -17.280 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.832 -4.114 -17.078 1.00 0.00 H new ATOM 537 N VAL A 34 7.246 -4.709 -15.021 1.00 0.00 N ATOM 538 CA VAL A 34 8.546 -4.269 -14.537 1.00 0.00 C ATOM 539 C VAL A 34 9.382 -5.467 -14.118 1.00 0.00 C ATOM 540 O VAL A 34 8.877 -6.588 -14.032 1.00 0.00 O ATOM 541 CB VAL A 34 8.422 -3.297 -13.343 1.00 0.00 C ATOM 542 CG1 VAL A 34 7.757 -1.999 -13.775 1.00 0.00 C ATOM 543 CG2 VAL A 34 7.651 -3.945 -12.200 1.00 0.00 C ATOM 0 H VAL A 34 6.750 -5.331 -14.383 1.00 0.00 H new ATOM 0 HA VAL A 34 9.031 -3.740 -15.358 1.00 0.00 H new ATOM 0 HB VAL A 34 9.425 -3.063 -12.986 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.679 -1.328 -12.920 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.355 -1.526 -14.554 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.760 -2.212 -14.161 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.575 -3.244 -11.369 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.651 -4.213 -12.541 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.175 -4.842 -11.871 1.00 0.00 H new ATOM 553 N SER A 35 10.652 -5.230 -13.856 1.00 0.00 N ATOM 554 CA SER A 35 11.550 -6.291 -13.443 1.00 0.00 C ATOM 555 C SER A 35 11.418 -6.545 -11.944 1.00 0.00 C ATOM 556 O SER A 35 11.209 -5.611 -11.168 1.00 0.00 O ATOM 557 CB SER A 35 12.985 -5.897 -13.781 1.00 0.00 C ATOM 558 OG SER A 35 13.050 -5.290 -15.060 1.00 0.00 O ATOM 0 H SER A 35 11.087 -4.310 -13.922 1.00 0.00 H new ATOM 0 HA SER A 35 11.289 -7.207 -13.973 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.366 -5.209 -13.027 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.624 -6.779 -13.759 1.00 0.00 H new ATOM 0 HG SER A 35 13.977 -5.043 -15.258 1.00 0.00 H new ATOM 564 N PRO A 36 11.537 -7.812 -11.513 1.00 0.00 N ATOM 565 CA PRO A 36 11.523 -8.172 -10.090 1.00 0.00 C ATOM 566 C PRO A 36 12.631 -7.462 -9.315 1.00 0.00 C ATOM 567 O PRO A 36 12.491 -7.185 -8.125 1.00 0.00 O ATOM 568 CB PRO A 36 11.745 -9.690 -10.080 1.00 0.00 C ATOM 569 CG PRO A 36 12.231 -10.033 -11.448 1.00 0.00 C ATOM 570 CD PRO A 36 11.668 -8.995 -12.377 1.00 0.00 C ATOM 0 HA PRO A 36 10.591 -7.876 -9.608 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.475 -9.974 -9.322 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.821 -10.220 -9.848 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.320 -10.034 -11.483 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.902 -11.031 -11.737 1.00 0.00 H new ATOM 0 HD2 PRO A 36 12.332 -8.807 -13.221 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.707 -9.302 -12.790 1.00 0.00 H new ATOM 578 N GLN A 37 13.725 -7.157 -10.010 1.00 0.00 N ATOM 579 CA GLN A 37 14.829 -6.403 -9.424 1.00 0.00 C ATOM 580 C GLN A 37 14.337 -5.041 -8.942 1.00 0.00 C ATOM 581 O GLN A 37 14.728 -4.563 -7.875 1.00 0.00 O ATOM 582 CB GLN A 37 15.964 -6.196 -10.439 1.00 0.00 C ATOM 583 CG GLN A 37 16.741 -7.453 -10.823 1.00 0.00 C ATOM 584 CD GLN A 37 15.964 -8.408 -11.712 1.00 0.00 C ATOM 585 OE1 GLN A 37 15.953 -8.264 -12.934 1.00 0.00 O ATOM 586 NE2 GLN A 37 15.346 -9.416 -11.119 1.00 0.00 N ATOM 0 H GLN A 37 13.870 -7.422 -10.984 1.00 0.00 H new ATOM 0 HA GLN A 37 15.213 -6.979 -8.582 1.00 0.00 H new ATOM 0 HB2 GLN A 37 15.543 -5.760 -11.345 1.00 0.00 H new ATOM 0 HB3 GLN A 37 16.665 -5.468 -10.031 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.658 -7.160 -11.335 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.037 -7.977 -9.914 1.00 0.00 H new ATOM 0 HE21 GLN A 37 15.375 -9.506 -10.103 1.00 0.00 H new ATOM 0 HE22 GLN A 37 14.840 -10.104 -11.677 1.00 0.00 H new ATOM 595 N THR A 38 13.460 -4.433 -9.731 1.00 0.00 N ATOM 596 CA THR A 38 12.917 -3.122 -9.417 1.00 0.00 C ATOM 597 C THR A 38 11.825 -3.248 -8.359 1.00 0.00 C ATOM 598 O THR A 38 11.707 -2.420 -7.457 1.00 0.00 O ATOM 599 CB THR A 38 12.332 -2.469 -10.682 1.00 0.00 C ATOM 600 OG1 THR A 38 13.133 -2.826 -11.821 1.00 0.00 O ATOM 601 CG2 THR A 38 12.290 -0.954 -10.541 1.00 0.00 C ATOM 0 H THR A 38 13.108 -4.834 -10.601 1.00 0.00 H new ATOM 0 HA THR A 38 13.723 -2.497 -9.033 1.00 0.00 H new ATOM 0 HB THR A 38 11.313 -2.831 -10.819 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.759 -2.412 -12.627 1.00 0.00 H new ATOM 0 HG21 THR A 38 11.873 -0.516 -11.448 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.667 -0.685 -9.688 1.00 0.00 H new ATOM 0 HG23 THR A 38 13.300 -0.575 -10.386 1.00 0.00 H new ATOM 609 N PHE A 39 11.047 -4.314 -8.469 1.00 0.00 N ATOM 610 CA PHE A 39 9.959 -4.581 -7.539 1.00 0.00 C ATOM 611 C PHE A 39 10.494 -4.771 -6.121 1.00 0.00 C ATOM 612 O PHE A 39 9.876 -4.340 -5.147 1.00 0.00 O ATOM 613 CB PHE A 39 9.203 -5.827 -7.990 1.00 0.00 C ATOM 614 CG PHE A 39 7.925 -6.074 -7.239 1.00 0.00 C ATOM 615 CD1 PHE A 39 6.793 -5.321 -7.505 1.00 0.00 C ATOM 616 CD2 PHE A 39 7.854 -7.065 -6.272 1.00 0.00 C ATOM 617 CE1 PHE A 39 5.616 -5.548 -6.819 1.00 0.00 C ATOM 618 CE2 PHE A 39 6.680 -7.296 -5.582 1.00 0.00 C ATOM 619 CZ PHE A 39 5.561 -6.537 -5.856 1.00 0.00 C ATOM 0 H PHE A 39 11.151 -5.016 -9.202 1.00 0.00 H new ATOM 0 HA PHE A 39 9.281 -3.728 -7.532 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.976 -5.737 -9.052 1.00 0.00 H new ATOM 0 HB3 PHE A 39 9.853 -6.695 -7.875 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.831 -4.547 -8.258 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.727 -7.663 -6.056 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.741 -4.954 -7.035 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.638 -8.069 -4.829 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.642 -6.716 -5.318 1.00 0.00 H new ATOM 629 N ASN A 40 11.657 -5.407 -6.019 1.00 0.00 N ATOM 630 CA ASN A 40 12.292 -5.661 -4.728 1.00 0.00 C ATOM 631 C ASN A 40 12.609 -4.353 -4.008 1.00 0.00 C ATOM 632 O ASN A 40 12.377 -4.222 -2.806 1.00 0.00 O ATOM 633 CB ASN A 40 13.576 -6.473 -4.916 1.00 0.00 C ATOM 634 CG ASN A 40 14.239 -6.838 -3.599 1.00 0.00 C ATOM 635 OD1 ASN A 40 13.575 -7.031 -2.580 1.00 0.00 O ATOM 636 ND2 ASN A 40 15.558 -6.941 -3.612 1.00 0.00 N ATOM 0 H ASN A 40 12.182 -5.758 -6.820 1.00 0.00 H new ATOM 0 HA ASN A 40 11.593 -6.233 -4.117 1.00 0.00 H new ATOM 0 HB2 ASN A 40 13.346 -7.385 -5.467 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.277 -5.901 -5.524 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.059 -7.188 -2.758 1.00 0.00 H new ATOM 0 HD22 ASN A 40 16.074 -6.774 -4.476 1.00 0.00 H new ATOM 643 N THR A 41 13.118 -3.372 -4.751 1.00 0.00 N ATOM 644 CA THR A 41 13.495 -2.097 -4.158 1.00 0.00 C ATOM 645 C THR A 41 12.269 -1.308 -3.702 1.00 0.00 C ATOM 646 O THR A 41 12.360 -0.482 -2.797 1.00 0.00 O ATOM 647 CB THR A 41 14.345 -1.244 -5.124 1.00 0.00 C ATOM 648 OG1 THR A 41 13.683 -1.085 -6.387 1.00 0.00 O ATOM 649 CG2 THR A 41 15.706 -1.882 -5.344 1.00 0.00 C ATOM 0 H THR A 41 13.277 -3.437 -5.756 1.00 0.00 H new ATOM 0 HA THR A 41 14.103 -2.327 -3.283 1.00 0.00 H new ATOM 0 HB THR A 41 14.477 -0.262 -4.669 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.819 -1.546 -6.364 1.00 0.00 H new ATOM 0 HG21 THR A 41 16.290 -1.266 -6.028 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.229 -1.962 -4.391 1.00 0.00 H new ATOM 0 HG23 THR A 41 15.577 -2.876 -5.772 1.00 0.00 H new ATOM 657 N TRP A 42 11.122 -1.574 -4.315 1.00 0.00 N ATOM 658 CA TRP A 42 9.875 -0.958 -3.882 1.00 0.00 C ATOM 659 C TRP A 42 9.428 -1.583 -2.570 1.00 0.00 C ATOM 660 O TRP A 42 9.004 -0.893 -1.645 1.00 0.00 O ATOM 661 CB TRP A 42 8.772 -1.143 -4.930 1.00 0.00 C ATOM 662 CG TRP A 42 9.057 -0.497 -6.250 1.00 0.00 C ATOM 663 CD1 TRP A 42 9.918 0.531 -6.499 1.00 0.00 C ATOM 664 CD2 TRP A 42 8.450 -0.827 -7.504 1.00 0.00 C ATOM 665 NE1 TRP A 42 9.890 0.858 -7.834 1.00 0.00 N ATOM 666 CE2 TRP A 42 8.997 0.035 -8.473 1.00 0.00 C ATOM 667 CE3 TRP A 42 7.503 -1.774 -7.901 1.00 0.00 C ATOM 668 CZ2 TRP A 42 8.616 -0.018 -9.813 1.00 0.00 C ATOM 669 CZ3 TRP A 42 7.128 -1.826 -9.229 1.00 0.00 C ATOM 670 CH2 TRP A 42 7.686 -0.955 -10.171 1.00 0.00 C ATOM 0 H TRP A 42 11.030 -2.208 -5.109 1.00 0.00 H new ATOM 0 HA TRP A 42 10.051 0.110 -3.750 1.00 0.00 H new ATOM 0 HB2 TRP A 42 8.614 -2.210 -5.088 1.00 0.00 H new ATOM 0 HB3 TRP A 42 7.841 -0.738 -4.535 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.532 1.017 -5.756 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.442 1.592 -8.277 1.00 0.00 H new ATOM 0 HE3 TRP A 42 7.071 -2.454 -7.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.040 0.657 -10.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.392 -2.551 -9.545 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.376 -1.024 -11.203 1.00 0.00 H new ATOM 681 N CYS A 43 9.552 -2.901 -2.503 1.00 0.00 N ATOM 682 CA CYS A 43 9.122 -3.663 -1.341 1.00 0.00 C ATOM 683 C CYS A 43 9.993 -3.356 -0.126 1.00 0.00 C ATOM 684 O CYS A 43 9.528 -3.418 1.011 1.00 0.00 O ATOM 685 CB CYS A 43 9.159 -5.157 -1.673 1.00 0.00 C ATOM 686 SG CYS A 43 8.329 -6.223 -0.471 1.00 0.00 S ATOM 0 H CYS A 43 9.952 -3.469 -3.250 1.00 0.00 H new ATOM 0 HA CYS A 43 8.101 -3.375 -1.089 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.700 -5.309 -2.650 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.200 -5.470 -1.757 1.00 0.00 H new ATOM 0 HG CYS A 43 8.235 -7.427 -0.951 1.00 0.00 H new ATOM 692 N LYS A 44 11.251 -3.010 -0.368 1.00 0.00 N ATOM 693 CA LYS A 44 12.163 -2.664 0.706 1.00 0.00 C ATOM 694 C LYS A 44 12.109 -1.175 1.032 1.00 0.00 C ATOM 695 O LYS A 44 12.838 -0.701 1.903 1.00 0.00 O ATOM 696 CB LYS A 44 13.588 -3.058 0.339 1.00 0.00 C ATOM 697 CG LYS A 44 13.910 -4.512 0.628 1.00 0.00 C ATOM 698 CD LYS A 44 15.409 -4.759 0.623 1.00 0.00 C ATOM 699 CE LYS A 44 15.739 -6.205 0.959 1.00 0.00 C ATOM 700 NZ LYS A 44 17.201 -6.417 1.123 1.00 0.00 N ATOM 0 H LYS A 44 11.660 -2.963 -1.301 1.00 0.00 H new ATOM 0 HA LYS A 44 11.850 -3.217 1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.748 -2.863 -0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.284 -2.424 0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.497 -4.792 1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.432 -5.147 -0.118 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.816 -4.511 -0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.890 -4.098 1.345 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.226 -6.490 1.877 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.364 -6.856 0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.384 -7.415 1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.689 -6.169 0.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.555 -5.815 1.894 1.00 0.00 H new ATOM 714 N GLY A 45 11.260 -0.442 0.322 1.00 0.00 N ATOM 715 CA GLY A 45 11.104 0.985 0.578 1.00 0.00 C ATOM 716 C GLY A 45 12.263 1.822 0.074 1.00 0.00 C ATOM 717 O GLY A 45 12.384 3.001 0.420 1.00 0.00 O ATOM 0 H GLY A 45 10.674 -0.807 -0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.184 1.332 0.107 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.992 1.143 1.651 1.00 0.00 H new ATOM 721 N ILE A 46 13.104 1.222 -0.752 1.00 0.00 N ATOM 722 CA ILE A 46 14.258 1.909 -1.304 1.00 0.00 C ATOM 723 C ILE A 46 13.804 3.016 -2.250 1.00 0.00 C ATOM 724 O ILE A 46 14.287 4.147 -2.180 1.00 0.00 O ATOM 725 CB ILE A 46 15.192 0.929 -2.052 1.00 0.00 C ATOM 726 CG1 ILE A 46 15.650 -0.182 -1.105 1.00 0.00 C ATOM 727 CG2 ILE A 46 16.392 1.667 -2.633 1.00 0.00 C ATOM 728 CD1 ILE A 46 16.512 -1.234 -1.771 1.00 0.00 C ATOM 0 H ILE A 46 13.007 0.253 -1.056 1.00 0.00 H new ATOM 0 HA ILE A 46 14.817 2.345 -0.476 1.00 0.00 H new ATOM 0 HB ILE A 46 14.639 0.481 -2.878 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.207 0.263 -0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 46 14.773 -0.664 -0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 46 17.036 0.960 -3.155 1.00 0.00 H new ATOM 0 HG22 ILE A 46 16.047 2.428 -3.333 1.00 0.00 H new ATOM 0 HG23 ILE A 46 16.952 2.142 -1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 46 16.798 -1.988 -1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.951 -1.707 -2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 46 17.408 -0.766 -2.178 1.00 0.00 H new ATOM 740 N ALA A 47 12.843 2.693 -3.106 1.00 0.00 N ATOM 741 CA ALA A 47 12.334 3.645 -4.081 1.00 0.00 C ATOM 742 C ALA A 47 10.833 3.474 -4.280 1.00 0.00 C ATOM 743 O ALA A 47 10.265 2.440 -3.933 1.00 0.00 O ATOM 744 CB ALA A 47 13.070 3.483 -5.405 1.00 0.00 C ATOM 0 H ALA A 47 12.400 1.775 -3.144 1.00 0.00 H new ATOM 0 HA ALA A 47 12.509 4.652 -3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.681 4.200 -6.128 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.135 3.661 -5.254 1.00 0.00 H new ATOM 0 HB3 ALA A 47 12.922 2.471 -5.782 1.00 0.00 H new ATOM 750 N ILE A 48 10.200 4.505 -4.814 1.00 0.00 N ATOM 751 CA ILE A 48 8.784 4.453 -5.149 1.00 0.00 C ATOM 752 C ILE A 48 8.602 4.658 -6.652 1.00 0.00 C ATOM 753 O ILE A 48 9.238 5.533 -7.248 1.00 0.00 O ATOM 754 CB ILE A 48 7.966 5.511 -4.356 1.00 0.00 C ATOM 755 CG1 ILE A 48 7.859 5.105 -2.884 1.00 0.00 C ATOM 756 CG2 ILE A 48 6.576 5.696 -4.953 1.00 0.00 C ATOM 757 CD1 ILE A 48 7.023 6.054 -2.047 1.00 0.00 C ATOM 0 H ILE A 48 10.648 5.396 -5.027 1.00 0.00 H new ATOM 0 HA ILE A 48 8.406 3.470 -4.867 1.00 0.00 H new ATOM 0 HB ILE A 48 8.492 6.463 -4.425 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.428 4.106 -2.823 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.861 5.047 -2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.029 6.442 -4.377 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.665 6.030 -5.987 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.038 4.748 -4.923 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.994 5.700 -1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.464 7.050 -2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.009 6.094 -2.446 1.00 0.00 H new ATOM 769 N PRO A 49 7.763 3.829 -7.289 1.00 0.00 N ATOM 770 CA PRO A 49 7.493 3.920 -8.727 1.00 0.00 C ATOM 771 C PRO A 49 6.636 5.133 -9.089 1.00 0.00 C ATOM 772 O PRO A 49 6.091 5.807 -8.214 1.00 0.00 O ATOM 773 CB PRO A 49 6.734 2.626 -9.017 1.00 0.00 C ATOM 774 CG PRO A 49 6.056 2.297 -7.733 1.00 0.00 C ATOM 775 CD PRO A 49 7.012 2.726 -6.656 1.00 0.00 C ATOM 0 HA PRO A 49 8.408 4.041 -9.308 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.013 2.761 -9.824 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.411 1.829 -9.324 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.104 2.821 -7.645 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.840 1.231 -7.665 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.487 3.059 -5.761 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.671 1.911 -6.355 1.00 0.00 H new ATOM 783 N ARG A 50 6.526 5.411 -10.379 1.00 0.00 N ATOM 784 CA ARG A 50 5.717 6.524 -10.852 1.00 0.00 C ATOM 785 C ARG A 50 4.261 6.096 -11.045 1.00 0.00 C ATOM 786 O ARG A 50 3.930 4.919 -10.890 1.00 0.00 O ATOM 787 CB ARG A 50 6.300 7.091 -12.146 1.00 0.00 C ATOM 788 CG ARG A 50 7.636 7.788 -11.933 1.00 0.00 C ATOM 789 CD ARG A 50 8.173 8.404 -13.216 1.00 0.00 C ATOM 790 NE ARG A 50 9.355 9.230 -12.961 1.00 0.00 N ATOM 791 CZ ARG A 50 9.758 10.230 -13.744 1.00 0.00 C ATOM 792 NH1 ARG A 50 9.117 10.507 -14.879 1.00 0.00 N ATOM 793 NH2 ARG A 50 10.812 10.949 -13.376 1.00 0.00 N ATOM 0 H ARG A 50 6.987 4.880 -11.118 1.00 0.00 H new ATOM 0 HA ARG A 50 5.734 7.310 -10.097 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.427 6.283 -12.867 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.592 7.797 -12.580 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.522 8.566 -11.178 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.360 7.072 -11.545 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.426 7.613 -13.922 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.397 9.011 -13.682 1.00 0.00 H new ATOM 0 HE ARG A 50 9.907 9.026 -12.128 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.308 9.951 -15.157 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.435 11.275 -15.470 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.299 10.732 -12.506 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.135 11.718 -13.963 1.00 0.00 H new ATOM 807 N MET A 51 3.406 7.058 -11.399 1.00 0.00 N ATOM 808 CA MET A 51 1.954 6.850 -11.446 1.00 0.00 C ATOM 809 C MET A 51 1.568 5.606 -12.239 1.00 0.00 C ATOM 810 O MET A 51 0.772 4.792 -11.769 1.00 0.00 O ATOM 811 CB MET A 51 1.261 8.072 -12.052 1.00 0.00 C ATOM 812 CG MET A 51 -0.263 7.982 -12.073 1.00 0.00 C ATOM 813 SD MET A 51 -1.049 8.547 -10.546 1.00 0.00 S ATOM 814 CE MET A 51 -0.548 7.293 -9.365 1.00 0.00 C ATOM 0 H MET A 51 3.697 8.000 -11.660 1.00 0.00 H new ATOM 0 HA MET A 51 1.624 6.705 -10.417 1.00 0.00 H new ATOM 0 HB2 MET A 51 1.554 8.958 -11.489 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.620 8.210 -13.072 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.641 8.575 -12.906 1.00 0.00 H new ATOM 0 HG3 MET A 51 -0.554 6.948 -12.259 1.00 0.00 H new ATOM 0 HE1 MET A 51 -1.347 7.136 -8.640 1.00 0.00 H new ATOM 0 HE2 MET A 51 -0.345 6.359 -9.890 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.353 7.621 -8.846 1.00 0.00 H new ATOM 824 N GLY A 52 2.143 5.458 -13.425 1.00 0.00 N ATOM 825 CA GLY A 52 1.807 4.344 -14.295 1.00 0.00 C ATOM 826 C GLY A 52 2.064 2.992 -13.657 1.00 0.00 C ATOM 827 O GLY A 52 1.393 2.010 -13.973 1.00 0.00 O ATOM 0 H GLY A 52 2.843 6.095 -13.804 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.756 4.413 -14.574 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.387 4.421 -15.215 1.00 0.00 H new ATOM 831 N LYS A 53 3.027 2.941 -12.751 1.00 0.00 N ATOM 832 CA LYS A 53 3.359 1.705 -12.061 1.00 0.00 C ATOM 833 C LYS A 53 2.516 1.567 -10.799 1.00 0.00 C ATOM 834 O LYS A 53 2.060 0.476 -10.466 1.00 0.00 O ATOM 835 CB LYS A 53 4.851 1.651 -11.708 1.00 0.00 C ATOM 836 CG LYS A 53 5.790 1.546 -12.906 1.00 0.00 C ATOM 837 CD LYS A 53 5.873 2.850 -13.684 1.00 0.00 C ATOM 838 CE LYS A 53 6.912 2.777 -14.789 1.00 0.00 C ATOM 839 NZ LYS A 53 6.571 1.775 -15.837 1.00 0.00 N ATOM 0 H LYS A 53 3.594 3.743 -12.476 1.00 0.00 H new ATOM 0 HA LYS A 53 3.140 0.874 -12.731 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.108 2.545 -11.140 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.024 0.797 -11.053 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.786 1.266 -12.562 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.446 0.751 -13.567 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.898 3.080 -14.115 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.121 3.665 -13.004 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.014 3.759 -15.251 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.880 2.527 -14.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.268 1.827 -16.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.583 0.821 -15.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.623 1.976 -16.214 1.00 0.00 H new ATOM 853 N VAL A 54 2.298 2.688 -10.112 1.00 0.00 N ATOM 854 CA VAL A 54 1.481 2.700 -8.899 1.00 0.00 C ATOM 855 C VAL A 54 0.052 2.259 -9.206 1.00 0.00 C ATOM 856 O VAL A 54 -0.545 1.484 -8.460 1.00 0.00 O ATOM 857 CB VAL A 54 1.455 4.101 -8.244 1.00 0.00 C ATOM 858 CG1 VAL A 54 0.567 4.107 -7.006 1.00 0.00 C ATOM 859 CG2 VAL A 54 2.862 4.551 -7.890 1.00 0.00 C ATOM 0 H VAL A 54 2.675 3.599 -10.374 1.00 0.00 H new ATOM 0 HA VAL A 54 1.935 1.998 -8.199 1.00 0.00 H new ATOM 0 HB VAL A 54 1.037 4.803 -8.965 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.566 5.103 -6.564 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.450 3.833 -7.286 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.949 3.389 -6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.823 5.539 -7.430 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.305 3.842 -7.191 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.468 4.595 -8.795 1.00 0.00 H new ATOM 869 N GLN A 55 -0.488 2.749 -10.316 1.00 0.00 N ATOM 870 CA GLN A 55 -1.837 2.389 -10.732 1.00 0.00 C ATOM 871 C GLN A 55 -1.920 0.908 -11.072 1.00 0.00 C ATOM 872 O GLN A 55 -2.941 0.266 -10.834 1.00 0.00 O ATOM 873 CB GLN A 55 -2.275 3.234 -11.928 1.00 0.00 C ATOM 874 CG GLN A 55 -2.544 4.690 -11.577 1.00 0.00 C ATOM 875 CD GLN A 55 -3.727 4.854 -10.641 1.00 0.00 C ATOM 876 OE1 GLN A 55 -4.864 5.014 -11.081 1.00 0.00 O ATOM 877 NE2 GLN A 55 -3.472 4.805 -9.341 1.00 0.00 N ATOM 0 H GLN A 55 -0.012 3.397 -10.944 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.512 2.589 -9.900 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.503 3.190 -12.696 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.177 2.800 -12.359 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.656 5.118 -11.113 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.728 5.253 -12.492 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.515 4.671 -9.014 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.232 4.901 -8.668 1.00 0.00 H new ATOM 886 N ALA A 56 -0.836 0.365 -11.608 1.00 0.00 N ATOM 887 CA ALA A 56 -0.776 -1.052 -11.924 1.00 0.00 C ATOM 888 C ALA A 56 -0.761 -1.879 -10.643 1.00 0.00 C ATOM 889 O ALA A 56 -1.447 -2.895 -10.544 1.00 0.00 O ATOM 890 CB ALA A 56 0.446 -1.358 -12.775 1.00 0.00 C ATOM 0 H ALA A 56 0.012 0.885 -11.832 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.664 -1.318 -12.497 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.474 -2.424 -13.002 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.394 -0.791 -13.704 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.348 -1.079 -12.230 1.00 0.00 H new ATOM 896 N LEU A 57 0.013 -1.421 -9.660 1.00 0.00 N ATOM 897 CA LEU A 57 0.086 -2.080 -8.360 1.00 0.00 C ATOM 898 C LEU A 57 -1.267 -2.038 -7.657 1.00 0.00 C ATOM 899 O LEU A 57 -1.761 -3.060 -7.179 1.00 0.00 O ATOM 900 CB LEU A 57 1.145 -1.405 -7.484 1.00 0.00 C ATOM 901 CG LEU A 57 2.582 -1.494 -8.007 1.00 0.00 C ATOM 902 CD1 LEU A 57 3.525 -0.719 -7.104 1.00 0.00 C ATOM 903 CD2 LEU A 57 3.021 -2.946 -8.118 1.00 0.00 C ATOM 0 H LEU A 57 0.601 -0.591 -9.742 1.00 0.00 H new ATOM 0 HA LEU A 57 0.364 -3.122 -8.521 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.882 -0.353 -7.370 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.109 -1.852 -6.490 1.00 0.00 H new ATOM 0 HG LEU A 57 2.615 -1.049 -9.002 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.542 -0.793 -7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.223 0.328 -7.075 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.488 -1.135 -6.097 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.044 -2.989 -8.491 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.973 -3.417 -7.136 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.361 -3.474 -8.806 1.00 0.00 H new ATOM 915 N ALA A 58 -1.868 -0.853 -7.617 1.00 0.00 N ATOM 916 CA ALA A 58 -3.161 -0.665 -6.971 1.00 0.00 C ATOM 917 C ALA A 58 -4.249 -1.476 -7.667 1.00 0.00 C ATOM 918 O ALA A 58 -5.205 -1.921 -7.035 1.00 0.00 O ATOM 919 CB ALA A 58 -3.530 0.809 -6.943 1.00 0.00 C ATOM 0 H ALA A 58 -1.477 -0.005 -8.027 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.081 -1.025 -5.945 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.498 0.933 -6.457 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.773 1.363 -6.389 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.584 1.190 -7.963 1.00 0.00 H new ATOM 925 N ASP A 59 -4.101 -1.671 -8.968 1.00 0.00 N ATOM 926 CA ASP A 59 -5.071 -2.442 -9.735 1.00 0.00 C ATOM 927 C ASP A 59 -4.841 -3.933 -9.539 1.00 0.00 C ATOM 928 O ASP A 59 -5.788 -4.716 -9.491 1.00 0.00 O ATOM 929 CB ASP A 59 -4.977 -2.102 -11.218 1.00 0.00 C ATOM 930 CG ASP A 59 -6.076 -2.758 -12.026 1.00 0.00 C ATOM 931 OD1 ASP A 59 -7.201 -2.221 -12.046 1.00 0.00 O ATOM 932 OD2 ASP A 59 -5.819 -3.812 -12.647 1.00 0.00 O ATOM 0 H ASP A 59 -3.321 -1.308 -9.515 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.067 -2.184 -9.375 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.031 -1.021 -11.345 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.007 -2.420 -11.601 1.00 0.00 H new ATOM 937 N TYR A 60 -3.573 -4.310 -9.422 1.00 0.00 N ATOM 938 CA TYR A 60 -3.187 -5.707 -9.238 1.00 0.00 C ATOM 939 C TYR A 60 -3.836 -6.291 -7.983 1.00 0.00 C ATOM 940 O TYR A 60 -4.289 -7.435 -7.984 1.00 0.00 O ATOM 941 CB TYR A 60 -1.659 -5.825 -9.149 1.00 0.00 C ATOM 942 CG TYR A 60 -1.137 -7.248 -9.204 1.00 0.00 C ATOM 943 CD1 TYR A 60 -0.815 -7.840 -10.418 1.00 0.00 C ATOM 944 CD2 TYR A 60 -0.955 -7.993 -8.042 1.00 0.00 C ATOM 945 CE1 TYR A 60 -0.331 -9.133 -10.476 1.00 0.00 C ATOM 946 CE2 TYR A 60 -0.470 -9.287 -8.094 1.00 0.00 C ATOM 947 CZ TYR A 60 -0.161 -9.852 -9.313 1.00 0.00 C ATOM 948 OH TYR A 60 0.323 -11.139 -9.368 1.00 0.00 O ATOM 0 H TYR A 60 -2.786 -3.661 -9.452 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.538 -6.276 -10.099 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -1.215 -5.256 -9.965 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.324 -5.364 -8.220 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.945 -7.280 -11.332 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.196 -7.554 -7.085 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.087 -9.578 -11.429 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.334 -9.852 -7.184 1.00 0.00 H new ATOM 0 HH TYR A 60 0.384 -11.505 -8.461 1.00 0.00 H new ATOM 958 N PHE A 61 -3.871 -5.500 -6.916 1.00 0.00 N ATOM 959 CA PHE A 61 -4.481 -5.931 -5.662 1.00 0.00 C ATOM 960 C PHE A 61 -5.940 -5.479 -5.578 1.00 0.00 C ATOM 961 O PHE A 61 -6.666 -5.866 -4.661 1.00 0.00 O ATOM 962 CB PHE A 61 -3.699 -5.370 -4.470 1.00 0.00 C ATOM 963 CG PHE A 61 -2.301 -5.920 -4.324 1.00 0.00 C ATOM 964 CD1 PHE A 61 -2.079 -7.123 -3.671 1.00 0.00 C ATOM 965 CD2 PHE A 61 -1.210 -5.228 -4.832 1.00 0.00 C ATOM 966 CE1 PHE A 61 -0.797 -7.625 -3.528 1.00 0.00 C ATOM 967 CE2 PHE A 61 0.072 -5.726 -4.689 1.00 0.00 C ATOM 968 CZ PHE A 61 0.278 -6.925 -4.038 1.00 0.00 C ATOM 0 H PHE A 61 -3.484 -4.556 -6.894 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.452 -7.020 -5.632 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.641 -4.286 -4.567 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.255 -5.579 -3.556 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.916 -7.675 -3.269 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.364 -4.290 -5.345 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.638 -8.564 -3.018 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.912 -5.176 -5.087 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.279 -7.315 -3.928 1.00 0.00 H new ATOM 978 N ASN A 62 -6.353 -4.671 -6.555 1.00 0.00 N ATOM 979 CA ASN A 62 -7.678 -4.042 -6.573 1.00 0.00 C ATOM 980 C ASN A 62 -7.912 -3.243 -5.292 1.00 0.00 C ATOM 981 O ASN A 62 -8.726 -3.614 -4.443 1.00 0.00 O ATOM 982 CB ASN A 62 -8.801 -5.069 -6.776 1.00 0.00 C ATOM 983 CG ASN A 62 -10.145 -4.404 -7.019 1.00 0.00 C ATOM 984 OD1 ASN A 62 -10.214 -3.312 -7.581 1.00 0.00 O ATOM 985 ND2 ASN A 62 -11.218 -5.051 -6.592 1.00 0.00 N ATOM 0 H ASN A 62 -5.776 -4.432 -7.361 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.700 -3.361 -7.424 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.556 -5.711 -7.622 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.868 -5.711 -5.898 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -12.144 -4.645 -6.725 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -11.118 -5.955 -6.130 1.00 0.00 H new ATOM 992 N ILE A 63 -7.155 -2.167 -5.149 1.00 0.00 N ATOM 993 CA ILE A 63 -7.255 -1.284 -3.996 1.00 0.00 C ATOM 994 C ILE A 63 -7.152 0.166 -4.449 1.00 0.00 C ATOM 995 O ILE A 63 -7.091 0.442 -5.650 1.00 0.00 O ATOM 996 CB ILE A 63 -6.147 -1.571 -2.955 1.00 0.00 C ATOM 997 CG1 ILE A 63 -4.767 -1.529 -3.619 1.00 0.00 C ATOM 998 CG2 ILE A 63 -6.383 -2.914 -2.282 1.00 0.00 C ATOM 999 CD1 ILE A 63 -3.620 -1.745 -2.657 1.00 0.00 C ATOM 0 H ILE A 63 -6.452 -1.880 -5.830 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.221 -1.465 -3.524 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.181 -0.797 -2.188 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.725 -2.291 -4.397 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.640 -0.565 -4.111 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -5.594 -3.099 -1.553 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.349 -2.903 -1.777 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.376 -3.704 -3.033 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.676 -1.701 -3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.635 -0.968 -1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.721 -2.722 -2.183 1.00 0.00 H new ATOM 1011 N ASN A 64 -7.125 1.088 -3.501 1.00 0.00 N ATOM 1012 CA ASN A 64 -7.026 2.504 -3.818 1.00 0.00 C ATOM 1013 C ASN A 64 -5.631 3.010 -3.492 1.00 0.00 C ATOM 1014 O ASN A 64 -4.791 2.255 -3.005 1.00 0.00 O ATOM 1015 CB ASN A 64 -8.062 3.308 -3.024 1.00 0.00 C ATOM 1016 CG ASN A 64 -9.486 2.851 -3.277 1.00 0.00 C ATOM 1017 OD1 ASN A 64 -10.142 3.305 -4.219 1.00 0.00 O ATOM 1018 ND2 ASN A 64 -9.981 1.961 -2.427 1.00 0.00 N ATOM 0 H ASN A 64 -7.170 0.881 -2.503 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.221 2.634 -4.882 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.842 3.223 -1.960 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.973 4.363 -3.284 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.938 1.626 -2.539 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.405 1.611 -1.662 1.00 0.00 H new ATOM 1025 N LYS A 65 -5.379 4.287 -3.754 1.00 0.00 N ATOM 1026 CA LYS A 65 -4.090 4.883 -3.422 1.00 0.00 C ATOM 1027 C LYS A 65 -3.911 4.963 -1.908 1.00 0.00 C ATOM 1028 O LYS A 65 -2.809 4.778 -1.396 1.00 0.00 O ATOM 1029 CB LYS A 65 -3.952 6.284 -4.028 1.00 0.00 C ATOM 1030 CG LYS A 65 -5.049 7.252 -3.604 1.00 0.00 C ATOM 1031 CD LYS A 65 -4.561 8.694 -3.606 1.00 0.00 C ATOM 1032 CE LYS A 65 -3.455 8.908 -2.582 1.00 0.00 C ATOM 1033 NZ LYS A 65 -3.049 10.333 -2.477 1.00 0.00 N ATOM 0 H LYS A 65 -6.044 4.925 -4.192 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.315 4.244 -3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.985 6.699 -3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.955 6.201 -5.115 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.900 7.155 -4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.401 6.989 -2.607 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.195 8.954 -4.599 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.394 9.362 -3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.793 8.557 -1.607 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.589 8.305 -2.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.294 10.428 -1.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.701 10.664 -3.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.867 10.907 -2.190 1.00 0.00 H new ATOM 1047 N SER A 66 -5.007 5.222 -1.202 1.00 0.00 N ATOM 1048 CA SER A 66 -4.973 5.417 0.240 1.00 0.00 C ATOM 1049 C SER A 66 -4.448 4.178 0.962 1.00 0.00 C ATOM 1050 O SER A 66 -3.692 4.292 1.922 1.00 0.00 O ATOM 1051 CB SER A 66 -6.374 5.769 0.740 1.00 0.00 C ATOM 1052 OG SER A 66 -6.912 6.856 0.000 1.00 0.00 O ATOM 0 H SER A 66 -5.938 5.302 -1.612 1.00 0.00 H new ATOM 0 HA SER A 66 -4.289 6.237 0.459 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.027 4.901 0.648 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.334 6.027 1.798 1.00 0.00 H new ATOM 0 HG SER A 66 -7.810 7.066 0.333 1.00 0.00 H new ATOM 1058 N ASP A 67 -4.825 3.004 0.471 1.00 0.00 N ATOM 1059 CA ASP A 67 -4.461 1.738 1.109 1.00 0.00 C ATOM 1060 C ASP A 67 -2.946 1.596 1.254 1.00 0.00 C ATOM 1061 O ASP A 67 -2.458 1.017 2.221 1.00 0.00 O ATOM 1062 CB ASP A 67 -5.015 0.561 0.297 1.00 0.00 C ATOM 1063 CG ASP A 67 -6.522 0.614 0.153 1.00 0.00 C ATOM 1064 OD1 ASP A 67 -7.013 1.348 -0.734 1.00 0.00 O ATOM 1065 OD2 ASP A 67 -7.225 -0.062 0.926 1.00 0.00 O ATOM 0 H ASP A 67 -5.387 2.899 -0.374 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.898 1.733 2.107 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.558 0.560 -0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.732 -0.374 0.780 1.00 0.00 H new ATOM 1070 N LEU A 68 -2.210 2.124 0.287 1.00 0.00 N ATOM 1071 CA LEU A 68 -0.757 2.022 0.299 1.00 0.00 C ATOM 1072 C LEU A 68 -0.097 3.252 0.930 1.00 0.00 C ATOM 1073 O LEU A 68 0.993 3.154 1.498 1.00 0.00 O ATOM 1074 CB LEU A 68 -0.234 1.825 -1.126 1.00 0.00 C ATOM 1075 CG LEU A 68 -0.680 0.532 -1.812 1.00 0.00 C ATOM 1076 CD1 LEU A 68 -0.149 0.472 -3.236 1.00 0.00 C ATOM 1077 CD2 LEU A 68 -0.213 -0.680 -1.018 1.00 0.00 C ATOM 0 H LEU A 68 -2.593 2.626 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.496 1.158 0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.557 2.670 -1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.856 1.847 -1.102 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.769 0.521 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.476 -0.455 -3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.530 1.322 -3.802 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.940 0.506 -3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.539 -1.591 -1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.875 -0.673 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.640 -0.645 -0.016 1.00 0.00 H new ATOM 1089 N ILE A 69 -0.757 4.404 0.829 1.00 0.00 N ATOM 1090 CA ILE A 69 -0.157 5.671 1.251 1.00 0.00 C ATOM 1091 C ILE A 69 -0.403 5.968 2.732 1.00 0.00 C ATOM 1092 O ILE A 69 0.470 6.512 3.418 1.00 0.00 O ATOM 1093 CB ILE A 69 -0.684 6.847 0.394 1.00 0.00 C ATOM 1094 CG1 ILE A 69 -0.347 6.619 -1.085 1.00 0.00 C ATOM 1095 CG2 ILE A 69 -0.102 8.171 0.875 1.00 0.00 C ATOM 1096 CD1 ILE A 69 1.140 6.563 -1.379 1.00 0.00 C ATOM 0 H ILE A 69 -1.704 4.488 0.460 1.00 0.00 H new ATOM 0 HA ILE A 69 0.918 5.567 1.103 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.768 6.893 0.503 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.807 5.686 -1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.794 7.419 -1.676 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.486 8.983 0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.388 8.338 1.914 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.985 8.140 0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.294 6.399 -2.446 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.605 7.504 -1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.591 5.745 -0.817 1.00 0.00 H new ATOM 1108 N GLU A 70 -1.582 5.621 3.226 1.00 0.00 N ATOM 1109 CA GLU A 70 -1.932 5.889 4.606 1.00 0.00 C ATOM 1110 C GLU A 70 -1.233 4.893 5.526 1.00 0.00 C ATOM 1111 O GLU A 70 -1.007 3.747 5.148 1.00 0.00 O ATOM 1112 CB GLU A 70 -3.445 5.799 4.781 1.00 0.00 C ATOM 1113 CG GLU A 70 -4.231 6.659 3.799 1.00 0.00 C ATOM 1114 CD GLU A 70 -3.929 8.137 3.920 1.00 0.00 C ATOM 1115 OE1 GLU A 70 -4.533 8.797 4.791 1.00 0.00 O ATOM 1116 OE2 GLU A 70 -3.108 8.657 3.130 1.00 0.00 O ATOM 0 H GLU A 70 -2.311 5.153 2.688 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.605 6.895 4.869 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.753 4.760 4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.702 6.098 5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.009 6.332 2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.297 6.499 3.960 1.00 0.00 H new ATOM 1123 N ASP A 71 -0.889 5.327 6.729 1.00 0.00 N ATOM 1124 CA ASP A 71 -0.154 4.474 7.658 1.00 0.00 C ATOM 1125 C ASP A 71 -1.096 3.483 8.336 1.00 0.00 C ATOM 1126 O ASP A 71 -2.316 3.627 8.280 1.00 0.00 O ATOM 1127 CB ASP A 71 0.593 5.318 8.700 1.00 0.00 C ATOM 1128 CG ASP A 71 1.529 4.496 9.580 1.00 0.00 C ATOM 1129 OD1 ASP A 71 1.995 3.418 9.135 1.00 0.00 O ATOM 1130 OD2 ASP A 71 1.794 4.920 10.724 1.00 0.00 O ATOM 0 H ASP A 71 -1.104 6.258 7.086 1.00 0.00 H new ATOM 0 HA ASP A 71 0.585 3.909 7.091 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.169 6.089 8.188 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.133 5.830 9.332 1.00 0.00 H new ATOM 1135 N LYS A 72 -0.513 2.501 9.006 1.00 0.00 N ATOM 1136 CA LYS A 72 -1.253 1.388 9.585 1.00 0.00 C ATOM 1137 C LYS A 72 -1.909 1.757 10.915 1.00 0.00 C ATOM 1138 O LYS A 72 -2.137 0.898 11.770 1.00 0.00 O ATOM 1139 CB LYS A 72 -0.311 0.204 9.763 1.00 0.00 C ATOM 1140 CG LYS A 72 0.906 0.514 10.617 1.00 0.00 C ATOM 1141 CD LYS A 72 2.042 -0.437 10.302 1.00 0.00 C ATOM 1142 CE LYS A 72 2.581 -0.200 8.898 1.00 0.00 C ATOM 1143 NZ LYS A 72 3.293 1.106 8.790 1.00 0.00 N ATOM 0 H LYS A 72 0.493 2.453 9.165 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.060 1.123 8.902 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.861 -0.621 10.216 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.022 -0.135 8.782 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.227 1.541 10.442 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.644 0.438 11.672 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.843 -0.305 11.030 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.695 -1.466 10.393 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.261 -1.008 8.629 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.758 -0.225 8.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.774 1.164 7.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.607 1.883 8.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.995 1.183 9.553 1.00 0.00 H new ATOM 1157 N LYS A 73 -2.247 3.027 11.072 1.00 0.00 N ATOM 1158 CA LYS A 73 -3.032 3.482 12.206 1.00 0.00 C ATOM 1159 C LYS A 73 -4.507 3.278 11.897 1.00 0.00 C ATOM 1160 O LYS A 73 -5.348 4.139 12.161 1.00 0.00 O ATOM 1161 CB LYS A 73 -2.747 4.956 12.480 1.00 0.00 C ATOM 1162 CG LYS A 73 -1.376 5.219 13.081 1.00 0.00 C ATOM 1163 CD LYS A 73 -1.258 4.633 14.479 1.00 0.00 C ATOM 1164 CE LYS A 73 0.089 4.950 15.112 1.00 0.00 C ATOM 1165 NZ LYS A 73 0.351 6.413 15.161 1.00 0.00 N ATOM 0 H LYS A 73 -1.986 3.767 10.420 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.764 2.910 13.094 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.836 5.512 11.547 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.509 5.343 13.156 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.608 4.788 12.439 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.194 6.293 13.119 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.057 5.027 15.107 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.393 3.552 14.433 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.120 4.542 16.122 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.880 4.459 14.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.755 6.662 16.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.021 6.671 14.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.541 6.930 15.022 1.00 0.00 H new ATOM 1179 N LEU A 74 -4.805 2.111 11.347 1.00 0.00 N ATOM 1180 CA LEU A 74 -6.119 1.795 10.847 1.00 0.00 C ATOM 1181 C LEU A 74 -7.077 1.445 11.977 1.00 0.00 C ATOM 1182 O LEU A 74 -7.368 0.277 12.223 1.00 0.00 O ATOM 1183 CB LEU A 74 -6.023 0.635 9.857 1.00 0.00 C ATOM 1184 CG LEU A 74 -5.168 0.901 8.616 1.00 0.00 C ATOM 1185 CD1 LEU A 74 -5.072 -0.352 7.756 1.00 0.00 C ATOM 1186 CD2 LEU A 74 -5.742 2.056 7.811 1.00 0.00 C ATOM 0 H LEU A 74 -4.130 1.354 11.238 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.514 2.676 10.342 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.617 -0.232 10.378 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -7.030 0.371 9.534 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.164 1.173 8.942 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.460 -0.145 6.878 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.616 -1.156 8.334 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.071 -0.654 7.440 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.121 2.231 6.932 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.756 1.811 7.496 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.761 2.955 8.427 1.00 0.00 H new ATOM 1198 N ASN A 75 -7.545 2.466 12.672 1.00 0.00 N ATOM 1199 CA ASN A 75 -8.589 2.301 13.672 1.00 0.00 C ATOM 1200 C ASN A 75 -9.938 2.550 12.998 1.00 0.00 C ATOM 1201 O ASN A 75 -10.884 3.057 13.595 1.00 0.00 O ATOM 1202 CB ASN A 75 -8.365 3.271 14.842 1.00 0.00 C ATOM 1203 CG ASN A 75 -9.101 2.855 16.107 1.00 0.00 C ATOM 1204 OD1 ASN A 75 -10.163 2.236 16.054 1.00 0.00 O ATOM 1205 ND2 ASN A 75 -8.532 3.178 17.257 1.00 0.00 N ATOM 0 H ASN A 75 -7.217 3.426 12.562 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.568 1.291 14.080 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.298 3.336 15.054 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.693 4.268 14.548 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.974 2.913 18.137 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.651 3.692 17.263 1.00 0.00 H new ATOM 1212 N ILE A 76 -10.002 2.176 11.732 1.00 0.00 N ATOM 1213 CA ILE A 76 -11.187 2.371 10.910 1.00 0.00 C ATOM 1214 C ILE A 76 -12.191 1.252 11.185 1.00 0.00 C ATOM 1215 O ILE A 76 -11.845 0.248 11.808 1.00 0.00 O ATOM 1216 CB ILE A 76 -10.806 2.390 9.404 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -9.577 3.276 9.171 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -11.964 2.877 8.548 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -9.774 4.725 9.571 1.00 0.00 C ATOM 0 H ILE A 76 -9.230 1.726 11.241 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.639 3.330 11.162 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.569 1.367 9.111 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.736 2.867 9.731 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.308 3.235 8.116 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.666 2.879 7.500 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.819 2.214 8.681 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -12.239 3.888 8.849 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.859 5.284 9.375 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.593 5.154 8.993 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.012 4.780 10.633 1.00 0.00 H new ATOM 1231 N ASP A 77 -13.430 1.427 10.730 1.00 0.00 N ATOM 1232 CA ASP A 77 -14.488 0.433 10.933 1.00 0.00 C ATOM 1233 C ASP A 77 -14.279 -0.806 10.069 1.00 0.00 C ATOM 1234 O ASP A 77 -15.159 -1.664 9.965 1.00 0.00 O ATOM 1235 CB ASP A 77 -15.857 1.043 10.631 1.00 0.00 C ATOM 1236 CG ASP A 77 -15.951 1.622 9.230 1.00 0.00 C ATOM 1237 OD1 ASP A 77 -15.609 2.812 9.054 1.00 0.00 O ATOM 1238 OD2 ASP A 77 -16.380 0.900 8.303 1.00 0.00 O ATOM 0 H ASP A 77 -13.730 2.254 10.214 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.446 0.127 11.978 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -16.625 0.279 10.755 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -16.068 1.828 11.358 1.00 0.00 H new ATOM 1243 N THR A 78 -13.117 -0.886 9.458 1.00 0.00 N ATOM 1244 CA THR A 78 -12.731 -2.029 8.657 1.00 0.00 C ATOM 1245 C THR A 78 -12.185 -3.138 9.565 1.00 0.00 C ATOM 1246 O THR A 78 -12.405 -3.123 10.776 1.00 0.00 O ATOM 1247 CB THR A 78 -11.659 -1.620 7.625 1.00 0.00 C ATOM 1248 OG1 THR A 78 -11.700 -0.199 7.424 1.00 0.00 O ATOM 1249 CG2 THR A 78 -11.885 -2.321 6.292 1.00 0.00 C ATOM 0 H THR A 78 -12.408 -0.154 9.503 1.00 0.00 H new ATOM 0 HA THR A 78 -13.607 -2.399 8.125 1.00 0.00 H new ATOM 0 HB THR A 78 -10.684 -1.916 8.013 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.017 0.059 6.770 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.115 -2.014 5.584 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.836 -3.400 6.436 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.866 -2.051 5.901 1.00 0.00 H new ATOM 1257 N VAL A 79 -11.497 -4.105 8.977 1.00 0.00 N ATOM 1258 CA VAL A 79 -10.876 -5.179 9.739 1.00 0.00 C ATOM 1259 C VAL A 79 -9.350 -5.002 9.786 1.00 0.00 C ATOM 1260 O VAL A 79 -8.630 -5.457 8.895 1.00 0.00 O ATOM 1261 CB VAL A 79 -11.264 -6.575 9.182 1.00 0.00 C ATOM 1262 CG1 VAL A 79 -11.002 -6.676 7.683 1.00 0.00 C ATOM 1263 CG2 VAL A 79 -10.542 -7.684 9.937 1.00 0.00 C ATOM 0 H VAL A 79 -11.354 -4.168 7.969 1.00 0.00 H new ATOM 0 HA VAL A 79 -11.255 -5.123 10.759 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.336 -6.701 9.336 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.286 -7.667 7.330 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.590 -5.922 7.159 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.943 -6.511 7.487 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.832 -8.652 9.527 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.465 -7.553 9.833 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.812 -7.642 10.992 1.00 0.00 H new ATOM 1273 N PRO A 80 -8.846 -4.266 10.795 1.00 0.00 N ATOM 1274 CA PRO A 80 -7.410 -3.997 10.942 1.00 0.00 C ATOM 1275 C PRO A 80 -6.581 -5.278 10.960 1.00 0.00 C ATOM 1276 O PRO A 80 -6.687 -6.091 11.881 1.00 0.00 O ATOM 1277 CB PRO A 80 -7.309 -3.280 12.290 1.00 0.00 C ATOM 1278 CG PRO A 80 -8.659 -2.696 12.511 1.00 0.00 C ATOM 1279 CD PRO A 80 -9.629 -3.656 11.885 1.00 0.00 C ATOM 0 HA PRO A 80 -7.022 -3.413 10.107 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.042 -3.973 13.088 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.542 -2.506 12.270 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -8.862 -2.573 13.575 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.737 -1.709 12.055 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -9.974 -4.403 12.600 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -10.514 -3.144 11.507 1.00 0.00 H new ATOM 1287 N ILE A 81 -5.765 -5.444 9.934 1.00 0.00 N ATOM 1288 CA ILE A 81 -4.945 -6.636 9.783 1.00 0.00 C ATOM 1289 C ILE A 81 -3.621 -6.473 10.535 1.00 0.00 C ATOM 1290 O ILE A 81 -3.197 -5.351 10.828 1.00 0.00 O ATOM 1291 CB ILE A 81 -4.676 -6.928 8.280 1.00 0.00 C ATOM 1292 CG1 ILE A 81 -3.960 -8.273 8.097 1.00 0.00 C ATOM 1293 CG2 ILE A 81 -3.866 -5.798 7.648 1.00 0.00 C ATOM 1294 CD1 ILE A 81 -3.700 -8.635 6.649 1.00 0.00 C ATOM 0 H ILE A 81 -5.651 -4.761 9.185 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.487 -7.480 10.209 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.639 -6.988 7.773 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.010 -8.244 8.631 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.560 -9.059 8.556 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.689 -6.022 6.596 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.419 -4.863 7.732 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.911 -5.702 8.165 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.191 -9.598 6.600 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.648 -8.698 6.114 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.074 -7.870 6.190 1.00 0.00 H new ATOM 1306 N GLU A 82 -2.995 -7.592 10.878 1.00 0.00 N ATOM 1307 CA GLU A 82 -1.677 -7.577 11.497 1.00 0.00 C ATOM 1308 C GLU A 82 -0.629 -7.106 10.492 1.00 0.00 C ATOM 1309 O GLU A 82 -0.283 -7.827 9.556 1.00 0.00 O ATOM 1310 CB GLU A 82 -1.322 -8.971 12.019 1.00 0.00 C ATOM 1311 CG GLU A 82 -2.198 -9.422 13.177 1.00 0.00 C ATOM 1312 CD GLU A 82 -1.919 -8.647 14.446 1.00 0.00 C ATOM 1313 OE1 GLU A 82 -2.360 -7.482 14.554 1.00 0.00 O ATOM 1314 OE2 GLU A 82 -1.239 -9.194 15.338 1.00 0.00 O ATOM 0 H GLU A 82 -3.382 -8.525 10.737 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.692 -6.883 12.338 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.411 -9.690 11.204 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.280 -8.977 12.337 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.246 -9.302 12.904 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.036 -10.484 13.360 1.00 0.00 H new ATOM 1321 N SER A 83 -0.151 -5.886 10.679 1.00 0.00 N ATOM 1322 CA SER A 83 0.819 -5.302 9.773 1.00 0.00 C ATOM 1323 C SER A 83 2.224 -5.418 10.366 1.00 0.00 C ATOM 1324 O SER A 83 2.413 -6.036 11.419 1.00 0.00 O ATOM 1325 CB SER A 83 0.454 -3.836 9.499 1.00 0.00 C ATOM 1326 OG SER A 83 1.197 -3.306 8.411 1.00 0.00 O ATOM 0 H SER A 83 -0.422 -5.281 11.454 1.00 0.00 H new ATOM 0 HA SER A 83 0.805 -5.842 8.827 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.612 -3.760 9.284 1.00 0.00 H new ATOM 0 HB3 SER A 83 0.642 -3.241 10.393 1.00 0.00 H new ATOM 0 HG SER A 83 0.939 -2.372 8.263 1.00 0.00 H new ATOM 1332 N GLY A 84 3.198 -4.818 9.699 1.00 0.00 N ATOM 1333 CA GLY A 84 4.575 -4.939 10.127 1.00 0.00 C ATOM 1334 C GLY A 84 5.056 -3.737 10.912 1.00 0.00 C ATOM 1335 O GLY A 84 4.690 -2.596 10.615 1.00 0.00 O ATOM 0 H GLY A 84 3.058 -4.247 8.865 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.682 -5.834 10.740 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.211 -5.074 9.252 1.00 0.00 H new ATOM 1339 N TYR A 85 5.870 -3.996 11.921 1.00 0.00 N ATOM 1340 CA TYR A 85 6.465 -2.944 12.723 1.00 0.00 C ATOM 1341 C TYR A 85 7.783 -2.521 12.090 1.00 0.00 C ATOM 1342 O TYR A 85 8.720 -3.318 11.989 1.00 0.00 O ATOM 1343 CB TYR A 85 6.679 -3.437 14.159 1.00 0.00 C ATOM 1344 CG TYR A 85 7.126 -2.367 15.129 1.00 0.00 C ATOM 1345 CD1 TYR A 85 6.264 -1.346 15.516 1.00 0.00 C ATOM 1346 CD2 TYR A 85 8.407 -2.380 15.665 1.00 0.00 C ATOM 1347 CE1 TYR A 85 6.670 -0.373 16.411 1.00 0.00 C ATOM 1348 CE2 TYR A 85 8.817 -1.414 16.562 1.00 0.00 C ATOM 1349 CZ TYR A 85 7.946 -0.412 16.929 1.00 0.00 C ATOM 1350 OH TYR A 85 8.354 0.552 17.822 1.00 0.00 O ATOM 0 H TYR A 85 6.136 -4.939 12.206 1.00 0.00 H new ATOM 0 HA TYR A 85 5.798 -2.083 12.759 1.00 0.00 H new ATOM 0 HB2 TYR A 85 5.749 -3.873 14.522 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.422 -4.234 14.149 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.263 -1.313 15.112 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.095 -3.160 15.375 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.990 0.414 16.702 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.815 -1.444 16.974 1.00 0.00 H new ATOM 0 HH TYR A 85 9.280 0.378 18.091 1.00 0.00 H new ATOM 1360 N THR A 86 7.838 -1.281 11.636 1.00 0.00 N ATOM 1361 CA THR A 86 9.000 -0.780 10.923 1.00 0.00 C ATOM 1362 C THR A 86 10.217 -0.686 11.830 1.00 0.00 C ATOM 1363 O THR A 86 10.170 -0.080 12.903 1.00 0.00 O ATOM 1364 CB THR A 86 8.711 0.596 10.293 1.00 0.00 C ATOM 1365 OG1 THR A 86 7.595 0.484 9.403 1.00 0.00 O ATOM 1366 CG2 THR A 86 9.918 1.117 9.528 1.00 0.00 C ATOM 0 H THR A 86 7.087 -0.600 11.749 1.00 0.00 H new ATOM 0 HA THR A 86 9.219 -1.494 10.129 1.00 0.00 H new ATOM 0 HB THR A 86 8.485 1.300 11.094 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.627 -0.382 8.945 1.00 0.00 H new ATOM 0 HG21 THR A 86 9.683 2.089 9.095 1.00 0.00 H new ATOM 0 HG22 THR A 86 10.764 1.218 10.208 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.174 0.418 8.732 1.00 0.00 H new ATOM 1374 N LEU A 87 11.295 -1.320 11.400 1.00 0.00 N ATOM 1375 CA LEU A 87 12.562 -1.215 12.092 1.00 0.00 C ATOM 1376 C LEU A 87 13.421 -0.183 11.375 1.00 0.00 C ATOM 1377 O LEU A 87 14.043 -0.477 10.352 1.00 0.00 O ATOM 1378 CB LEU A 87 13.260 -2.581 12.137 1.00 0.00 C ATOM 1379 CG LEU A 87 14.273 -2.778 13.273 1.00 0.00 C ATOM 1380 CD1 LEU A 87 14.638 -4.247 13.394 1.00 0.00 C ATOM 1381 CD2 LEU A 87 15.528 -1.947 13.047 1.00 0.00 C ATOM 0 H LEU A 87 11.315 -1.914 10.571 1.00 0.00 H new ATOM 0 HA LEU A 87 12.401 -0.896 13.122 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.497 -3.355 12.218 1.00 0.00 H new ATOM 0 HB3 LEU A 87 13.773 -2.737 11.188 1.00 0.00 H new ATOM 0 HG LEU A 87 13.809 -2.442 14.200 1.00 0.00 H new ATOM 0 HD11 LEU A 87 15.357 -4.378 14.202 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.741 -4.828 13.609 1.00 0.00 H new ATOM 0 HD13 LEU A 87 15.078 -4.591 12.458 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.225 -2.109 13.869 1.00 0.00 H new ATOM 0 HD22 LEU A 87 15.997 -2.245 12.109 1.00 0.00 H new ATOM 0 HD23 LEU A 87 15.262 -0.891 13.000 1.00 0.00 H new ATOM 1393 N GLU A 88 13.420 1.032 11.893 1.00 0.00 N ATOM 1394 CA GLU A 88 14.134 2.126 11.263 1.00 0.00 C ATOM 1395 C GLU A 88 15.401 2.457 12.040 1.00 0.00 C ATOM 1396 O GLU A 88 15.400 3.296 12.942 1.00 0.00 O ATOM 1397 CB GLU A 88 13.226 3.354 11.125 1.00 0.00 C ATOM 1398 CG GLU A 88 12.426 3.670 12.378 1.00 0.00 C ATOM 1399 CD GLU A 88 11.430 4.786 12.162 1.00 0.00 C ATOM 1400 OE1 GLU A 88 10.376 4.534 11.550 1.00 0.00 O ATOM 1401 OE2 GLU A 88 11.687 5.925 12.618 1.00 0.00 O ATOM 0 H GLU A 88 12.931 1.286 12.751 1.00 0.00 H new ATOM 0 HA GLU A 88 14.430 1.817 10.261 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.837 4.219 10.868 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.537 3.193 10.296 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.898 2.774 12.704 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.109 3.947 13.181 1.00 0.00 H new ATOM 1408 N HIS A 89 16.478 1.766 11.695 1.00 0.00 N ATOM 1409 CA HIS A 89 17.768 1.974 12.337 1.00 0.00 C ATOM 1410 C HIS A 89 18.645 2.828 11.430 1.00 0.00 C ATOM 1411 O HIS A 89 19.807 3.097 11.722 1.00 0.00 O ATOM 1412 CB HIS A 89 18.432 0.619 12.622 1.00 0.00 C ATOM 1413 CG HIS A 89 19.590 0.687 13.576 1.00 0.00 C ATOM 1414 ND1 HIS A 89 19.446 0.592 14.944 1.00 0.00 N ATOM 1415 CD2 HIS A 89 20.918 0.831 13.351 1.00 0.00 C ATOM 1416 CE1 HIS A 89 20.633 0.678 15.516 1.00 0.00 C ATOM 1417 NE2 HIS A 89 21.543 0.824 14.572 1.00 0.00 N ATOM 0 H HIS A 89 16.483 1.051 10.968 1.00 0.00 H new ATOM 0 HA HIS A 89 17.632 2.492 13.286 1.00 0.00 H new ATOM 0 HB2 HIS A 89 17.683 -0.062 13.026 1.00 0.00 H new ATOM 0 HB3 HIS A 89 18.777 0.191 11.681 1.00 0.00 H new ATOM 0 HD2 HIS A 89 21.396 0.933 12.388 1.00 0.00 H new ATOM 0 HE1 HIS A 89 20.826 0.636 16.578 1.00 0.00 H new ATOM 0 HE2 HIS A 89 22.547 0.917 14.725 1.00 0.00 H new ATOM 1426 N HIS A 90 18.063 3.252 10.319 1.00 0.00 N ATOM 1427 CA HIS A 90 18.762 4.079 9.351 1.00 0.00 C ATOM 1428 C HIS A 90 18.031 5.397 9.137 1.00 0.00 C ATOM 1429 O HIS A 90 16.853 5.527 9.466 1.00 0.00 O ATOM 1430 CB HIS A 90 18.885 3.357 8.006 1.00 0.00 C ATOM 1431 CG HIS A 90 19.938 2.292 7.959 1.00 0.00 C ATOM 1432 ND1 HIS A 90 19.659 0.966 7.711 1.00 0.00 N ATOM 1433 CD2 HIS A 90 21.284 2.374 8.082 1.00 0.00 C ATOM 1434 CE1 HIS A 90 20.788 0.280 7.682 1.00 0.00 C ATOM 1435 NE2 HIS A 90 21.790 1.108 7.904 1.00 0.00 N ATOM 0 H HIS A 90 17.100 3.034 10.065 1.00 0.00 H new ATOM 0 HA HIS A 90 19.757 4.277 9.749 1.00 0.00 H new ATOM 0 HB2 HIS A 90 17.923 2.908 7.761 1.00 0.00 H new ATOM 0 HB3 HIS A 90 19.099 4.094 7.232 1.00 0.00 H new ATOM 0 HD2 HIS A 90 21.855 3.269 8.283 1.00 0.00 H new ATOM 0 HE1 HIS A 90 20.876 -0.782 7.506 1.00 0.00 H new ATOM 0 HE2 HIS A 90 22.777 0.852 7.938 1.00 0.00 H new ATOM 1444 N HIS A 91 18.746 6.371 8.599 1.00 0.00 N ATOM 1445 CA HIS A 91 18.144 7.614 8.145 1.00 0.00 C ATOM 1446 C HIS A 91 18.483 7.804 6.674 1.00 0.00 C ATOM 1447 O HIS A 91 19.598 7.505 6.253 1.00 0.00 O ATOM 1448 CB HIS A 91 18.628 8.815 8.983 1.00 0.00 C ATOM 1449 CG HIS A 91 20.107 9.087 8.914 1.00 0.00 C ATOM 1450 ND1 HIS A 91 20.982 8.750 9.923 1.00 0.00 N ATOM 1451 CD2 HIS A 91 20.859 9.684 7.957 1.00 0.00 C ATOM 1452 CE1 HIS A 91 22.204 9.121 9.589 1.00 0.00 C ATOM 1453 NE2 HIS A 91 22.156 9.691 8.400 1.00 0.00 N ATOM 0 H HIS A 91 19.756 6.323 8.465 1.00 0.00 H new ATOM 0 HA HIS A 91 17.063 7.559 8.271 1.00 0.00 H new ATOM 0 HB2 HIS A 91 18.095 9.707 8.654 1.00 0.00 H new ATOM 0 HB3 HIS A 91 18.354 8.646 10.024 1.00 0.00 H new ATOM 0 HD2 HIS A 91 20.502 10.081 7.018 1.00 0.00 H new ATOM 0 HE1 HIS A 91 23.092 8.982 10.187 1.00 0.00 H new ATOM 0 HE2 HIS A 91 22.954 10.074 7.893 1.00 0.00 H new ATOM 1462 N HIS A 92 17.530 8.261 5.882 1.00 0.00 N ATOM 1463 CA HIS A 92 17.785 8.442 4.463 1.00 0.00 C ATOM 1464 C HIS A 92 18.216 9.879 4.179 1.00 0.00 C ATOM 1465 O HIS A 92 19.406 10.145 4.040 1.00 0.00 O ATOM 1466 CB HIS A 92 16.557 8.063 3.630 1.00 0.00 C ATOM 1467 CG HIS A 92 16.861 7.861 2.175 1.00 0.00 C ATOM 1468 ND1 HIS A 92 15.890 7.834 1.198 1.00 0.00 N ATOM 1469 CD2 HIS A 92 18.038 7.661 1.535 1.00 0.00 C ATOM 1470 CE1 HIS A 92 16.456 7.625 0.024 1.00 0.00 C ATOM 1471 NE2 HIS A 92 17.758 7.517 0.203 1.00 0.00 N ATOM 0 H HIS A 92 16.589 8.510 6.188 1.00 0.00 H new ATOM 0 HA HIS A 92 18.598 7.776 4.174 1.00 0.00 H new ATOM 0 HB2 HIS A 92 16.123 7.148 4.033 1.00 0.00 H new ATOM 0 HB3 HIS A 92 15.804 8.845 3.731 1.00 0.00 H new ATOM 0 HD1 HIS A 92 14.890 7.956 1.357 1.00 0.00 H new ATOM 0 HD2 HIS A 92 19.016 7.622 1.991 1.00 0.00 H new ATOM 0 HE1 HIS A 92 15.940 7.554 -0.922 1.00 0.00 H new ATOM 1480 N HIS A 93 17.244 10.796 4.124 1.00 0.00 N ATOM 1481 CA HIS A 93 17.510 12.214 3.848 1.00 0.00 C ATOM 1482 C HIS A 93 17.999 12.435 2.410 1.00 0.00 C ATOM 1483 O HIS A 93 18.755 11.639 1.853 1.00 0.00 O ATOM 1484 CB HIS A 93 18.514 12.793 4.866 1.00 0.00 C ATOM 1485 CG HIS A 93 19.055 14.149 4.506 1.00 0.00 C ATOM 1486 ND1 HIS A 93 18.303 15.309 4.548 1.00 0.00 N ATOM 1487 CD2 HIS A 93 20.287 14.518 4.084 1.00 0.00 C ATOM 1488 CE1 HIS A 93 19.053 16.327 4.164 1.00 0.00 C ATOM 1489 NE2 HIS A 93 20.257 15.872 3.879 1.00 0.00 N ATOM 0 H HIS A 93 16.258 10.580 4.268 1.00 0.00 H new ATOM 0 HA HIS A 93 16.566 12.748 3.955 1.00 0.00 H new ATOM 0 HB2 HIS A 93 18.029 12.856 5.840 1.00 0.00 H new ATOM 0 HB3 HIS A 93 19.348 12.099 4.970 1.00 0.00 H new ATOM 0 HD2 HIS A 93 21.136 13.866 3.936 1.00 0.00 H new ATOM 0 HE1 HIS A 93 18.734 17.356 4.095 1.00 0.00 H new ATOM 0 HE2 HIS A 93 21.042 16.438 3.557 1.00 0.00 H new ATOM 1498 N HIS A 94 17.530 13.523 1.817 1.00 0.00 N ATOM 1499 CA HIS A 94 17.939 13.931 0.482 1.00 0.00 C ATOM 1500 C HIS A 94 17.614 15.410 0.272 1.00 0.00 C ATOM 1501 O HIS A 94 16.438 15.735 0.020 1.00 0.00 O ATOM 1502 CB HIS A 94 17.280 13.054 -0.603 1.00 0.00 C ATOM 1503 CG HIS A 94 15.812 12.805 -0.404 1.00 0.00 C ATOM 1504 ND1 HIS A 94 14.829 13.656 -0.849 1.00 0.00 N ATOM 1505 CD2 HIS A 94 15.171 11.780 0.201 1.00 0.00 C ATOM 1506 CE1 HIS A 94 13.646 13.169 -0.529 1.00 0.00 C ATOM 1507 NE2 HIS A 94 13.825 12.028 0.110 1.00 0.00 N ATOM 1508 OXT HIS A 94 18.536 16.240 0.397 1.00 0.00 O ATOM 0 H HIS A 94 16.852 14.150 2.251 1.00 0.00 H new ATOM 0 HA HIS A 94 19.016 13.792 0.392 1.00 0.00 H new ATOM 0 HB2 HIS A 94 17.426 13.530 -1.573 1.00 0.00 H new ATOM 0 HB3 HIS A 94 17.796 12.094 -0.638 1.00 0.00 H new ATOM 0 HD2 HIS A 94 15.633 10.924 0.670 1.00 0.00 H new ATOM 0 HE1 HIS A 94 12.693 13.626 -0.752 1.00 0.00 H new ATOM 0 HE2 HIS A 94 13.085 11.429 0.476 1.00 0.00 H new TER 1517 HIS A 94