USER MOD reduce.3.24.130724 H: found=0, std=0, add=876, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 877 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 45 MET CE :methyl 157:sc= -0.143 (180deg=-0.649) USER MOD Set 1.2: A 90 TYR OH : rot -125:sc= 0.755 USER MOD Single : A 4 LYS NZ :NH3+ 168:sc= -0.0252 (180deg=-0.105) USER MOD Single : A 5 LYS NZ :NH3+ -152:sc= -1.11 (180deg=-2.53!) USER MOD Single : A 9 GLN : amide:sc= -0.0159 K(o=-0.016,f=-2.1!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 17 LYS NZ :NH3+ -172:sc= -0.0178 (180deg=-0.0963) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0.513 USER MOD Single : A 24 GLN : amide:sc= -0.609 K(o=-0.61,f=-1.3) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -165:sc= 0.489 (180deg=0.313) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= -0.0284 (180deg=-0.191) USER MOD Single : A 42 ASN : amide:sc= 0.711 K(o=0.71,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.087 USER MOD Single : A 63 LYS NZ :NH3+ 151:sc= 0.31 (180deg=0.0696) USER MOD Single : A 64 HIS : no HE2:sc= -0.0868 K(o=-0.082,f=-1.8) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -134:sc= -0.414 (180deg=-2.4!) USER MOD Single : A 72 LYS NZ :NH3+ 139:sc= -0.405 (180deg=-2.3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.128 X(o=0.13,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -5.22! C(o=-5.2!,f=-5.4!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.853 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 38 N LYS A 4 15.806 -5.295 1.178 1.00 41.54 N ATOM 39 CA LYS A 4 15.279 -5.466 2.539 1.00 45.41 C ATOM 40 C LYS A 4 13.891 -6.115 2.492 1.00 23.14 C ATOM 41 O LYS A 4 13.300 -6.293 1.416 1.00 1.41 O ATOM 42 CB LYS A 4 15.247 -4.080 3.293 1.00 21.34 C ATOM 43 CG LYS A 4 14.707 -2.853 2.491 1.00 5.34 C ATOM 44 CD LYS A 4 13.199 -2.924 2.127 1.00 14.23 C ATOM 45 CE LYS A 4 12.740 -1.744 1.261 1.00 74.22 C ATOM 46 NZ LYS A 4 13.485 -1.653 -0.033 1.00 40.12 N ATOM 0 HA LYS A 4 15.939 -6.131 3.096 1.00 45.41 H new ATOM 0 HB2 LYS A 4 14.637 -4.195 4.189 1.00 21.34 H new ATOM 0 HB3 LYS A 4 16.260 -3.850 3.624 1.00 21.34 H new ATOM 0 HG2 LYS A 4 14.883 -1.950 3.075 1.00 5.34 H new ATOM 0 HG3 LYS A 4 15.284 -2.756 1.571 1.00 5.34 H new ATOM 0 HD2 LYS A 4 13.001 -3.856 1.597 1.00 14.23 H new ATOM 0 HD3 LYS A 4 12.609 -2.947 3.044 1.00 14.23 H new ATOM 0 HE2 LYS A 4 11.674 -1.842 1.056 1.00 74.22 H new ATOM 0 HE3 LYS A 4 12.873 -0.817 1.818 1.00 74.22 H new ATOM 0 HZ1 LYS A 4 13.007 -0.976 -0.662 1.00 40.12 H new ATOM 0 HZ2 LYS A 4 14.457 -1.331 0.148 1.00 40.12 H new ATOM 0 HZ3 LYS A 4 13.509 -2.589 -0.486 1.00 40.12 H new ATOM 60 N LYS A 5 13.382 -6.452 3.676 1.00 34.34 N ATOM 61 CA LYS A 5 12.002 -6.884 3.866 1.00 61.45 C ATOM 62 C LYS A 5 11.189 -5.670 4.348 1.00 53.54 C ATOM 63 O LYS A 5 11.435 -5.145 5.443 1.00 3.20 O ATOM 64 CB LYS A 5 11.922 -8.036 4.900 1.00 73.12 C ATOM 65 CG LYS A 5 10.493 -8.624 5.096 1.00 72.14 C ATOM 66 CD LYS A 5 10.384 -9.639 6.269 1.00 61.42 C ATOM 67 CE LYS A 5 10.343 -8.985 7.675 1.00 62.34 C ATOM 68 NZ LYS A 5 11.595 -8.276 8.049 1.00 24.11 N ATOM 0 H LYS A 5 13.925 -6.432 4.540 1.00 34.34 H new ATOM 0 HA LYS A 5 11.598 -7.262 2.927 1.00 61.45 H new ATOM 0 HB2 LYS A 5 12.592 -8.837 4.587 1.00 73.12 H new ATOM 0 HB3 LYS A 5 12.287 -7.672 5.860 1.00 73.12 H new ATOM 0 HG2 LYS A 5 9.795 -7.805 5.271 1.00 72.14 H new ATOM 0 HG3 LYS A 5 10.183 -9.115 4.174 1.00 72.14 H new ATOM 0 HD2 LYS A 5 9.484 -10.238 6.133 1.00 61.42 H new ATOM 0 HD3 LYS A 5 11.232 -10.322 6.223 1.00 61.42 H new ATOM 0 HE2 LYS A 5 9.513 -8.279 7.712 1.00 62.34 H new ATOM 0 HE3 LYS A 5 10.139 -9.756 8.417 1.00 62.34 H new ATOM 0 HZ1 LYS A 5 11.702 -8.283 9.083 1.00 24.11 H new ATOM 0 HZ2 LYS A 5 12.409 -8.755 7.614 1.00 24.11 H new ATOM 0 HZ3 LYS A 5 11.551 -7.293 7.712 1.00 24.11 H new ATOM 82 N VAL A 6 10.261 -5.208 3.509 1.00 62.42 N ATOM 83 CA VAL A 6 9.293 -4.155 3.859 1.00 3.32 C ATOM 84 C VAL A 6 7.968 -4.844 4.192 1.00 4.22 C ATOM 85 O VAL A 6 7.476 -5.674 3.414 1.00 63.41 O ATOM 86 CB VAL A 6 9.088 -3.090 2.695 1.00 4.33 C ATOM 87 CG1 VAL A 6 9.085 -3.767 1.304 1.00 63.31 C ATOM 88 CG2 VAL A 6 7.794 -2.258 2.898 1.00 4.52 C ATOM 0 H VAL A 6 10.155 -5.555 2.556 1.00 62.42 H new ATOM 0 HA VAL A 6 9.675 -3.593 4.711 1.00 3.32 H new ATOM 0 HB VAL A 6 9.935 -2.406 2.739 1.00 4.33 H new ATOM 0 HG11 VAL A 6 8.943 -3.011 0.532 1.00 63.31 H new ATOM 0 HG12 VAL A 6 10.036 -4.274 1.144 1.00 63.31 H new ATOM 0 HG13 VAL A 6 8.274 -4.493 1.255 1.00 63.31 H new ATOM 0 HG21 VAL A 6 7.690 -1.542 2.083 1.00 4.52 H new ATOM 0 HG22 VAL A 6 6.931 -2.924 2.909 1.00 4.52 H new ATOM 0 HG23 VAL A 6 7.851 -1.723 3.846 1.00 4.52 H new ATOM 98 N GLU A 7 7.408 -4.522 5.361 1.00 70.03 N ATOM 99 CA GLU A 7 6.121 -5.069 5.791 1.00 5.54 C ATOM 100 C GLU A 7 5.048 -3.999 5.576 1.00 60.00 C ATOM 101 O GLU A 7 5.056 -2.940 6.218 1.00 32.10 O ATOM 102 CB GLU A 7 6.198 -5.548 7.255 1.00 72.13 C ATOM 103 CG GLU A 7 7.273 -6.630 7.489 1.00 50.45 C ATOM 104 CD GLU A 7 7.340 -7.118 8.939 1.00 34.42 C ATOM 105 OE1 GLU A 7 6.549 -8.013 9.308 1.00 73.33 O ATOM 106 OE2 GLU A 7 8.163 -6.603 9.724 1.00 74.41 O ATOM 0 H GLU A 7 7.831 -3.880 6.031 1.00 70.03 H new ATOM 0 HA GLU A 7 5.858 -5.946 5.199 1.00 5.54 H new ATOM 0 HB2 GLU A 7 6.407 -4.694 7.899 1.00 72.13 H new ATOM 0 HB3 GLU A 7 5.226 -5.941 7.553 1.00 72.13 H new ATOM 0 HG2 GLU A 7 7.071 -7.479 6.837 1.00 50.45 H new ATOM 0 HG3 GLU A 7 8.246 -6.232 7.202 1.00 50.45 H new ATOM 113 N VAL A 8 4.139 -4.302 4.645 1.00 45.30 N ATOM 114 CA VAL A 8 3.090 -3.405 4.172 1.00 72.13 C ATOM 115 C VAL A 8 1.806 -3.692 4.964 1.00 65.53 C ATOM 116 O VAL A 8 1.145 -4.720 4.761 1.00 52.21 O ATOM 117 CB VAL A 8 2.875 -3.625 2.624 1.00 21.34 C ATOM 118 CG1 VAL A 8 1.677 -2.814 2.077 1.00 42.23 C ATOM 119 CG2 VAL A 8 4.178 -3.298 1.844 1.00 34.04 C ATOM 0 H VAL A 8 4.116 -5.212 4.186 1.00 45.30 H new ATOM 0 HA VAL A 8 3.370 -2.363 4.328 1.00 72.13 H new ATOM 0 HB VAL A 8 2.634 -4.677 2.474 1.00 21.34 H new ATOM 0 HG11 VAL A 8 1.570 -2.999 1.008 1.00 42.23 H new ATOM 0 HG12 VAL A 8 0.766 -3.120 2.591 1.00 42.23 H new ATOM 0 HG13 VAL A 8 1.850 -1.751 2.246 1.00 42.23 H new ATOM 0 HG21 VAL A 8 4.013 -3.455 0.778 1.00 34.04 H new ATOM 0 HG22 VAL A 8 4.456 -2.259 2.019 1.00 34.04 H new ATOM 0 HG23 VAL A 8 4.981 -3.951 2.187 1.00 34.04 H new ATOM 129 N GLN A 9 1.471 -2.781 5.883 1.00 51.34 N ATOM 130 CA GLN A 9 0.374 -2.966 6.836 1.00 23.35 C ATOM 131 C GLN A 9 -0.845 -2.203 6.321 1.00 34.22 C ATOM 132 O GLN A 9 -0.953 -0.987 6.498 1.00 50.24 O ATOM 133 CB GLN A 9 0.824 -2.469 8.237 1.00 3.44 C ATOM 134 CG GLN A 9 2.138 -3.123 8.738 1.00 43.03 C ATOM 135 CD GLN A 9 2.668 -2.536 10.051 1.00 52.03 C ATOM 136 OE1 GLN A 9 1.903 -2.072 10.898 1.00 14.20 O ATOM 137 NE2 GLN A 9 3.983 -2.564 10.238 1.00 10.31 N ATOM 0 H GLN A 9 1.956 -1.890 5.987 1.00 51.34 H new ATOM 0 HA GLN A 9 0.106 -4.018 6.931 1.00 23.35 H new ATOM 0 HB2 GLN A 9 0.956 -1.388 8.204 1.00 3.44 H new ATOM 0 HB3 GLN A 9 0.031 -2.671 8.957 1.00 3.44 H new ATOM 0 HG2 GLN A 9 1.971 -4.192 8.871 1.00 43.03 H new ATOM 0 HG3 GLN A 9 2.902 -3.013 7.969 1.00 43.03 H new ATOM 0 HE21 GLN A 9 4.592 -2.954 9.519 1.00 10.31 H new ATOM 0 HE22 GLN A 9 4.383 -2.195 11.101 1.00 10.31 H new ATOM 146 N VAL A 10 -1.759 -2.934 5.678 1.00 44.23 N ATOM 147 CA VAL A 10 -2.921 -2.359 5.000 1.00 43.22 C ATOM 148 C VAL A 10 -4.111 -2.362 5.965 1.00 31.01 C ATOM 149 O VAL A 10 -4.649 -3.426 6.274 1.00 21.25 O ATOM 150 CB VAL A 10 -3.268 -3.166 3.689 1.00 3.44 C ATOM 151 CG1 VAL A 10 -4.469 -2.540 2.935 1.00 70.11 C ATOM 152 CG2 VAL A 10 -2.026 -3.285 2.768 1.00 55.44 C ATOM 0 H VAL A 10 -1.712 -3.951 5.613 1.00 44.23 H new ATOM 0 HA VAL A 10 -2.692 -1.335 4.703 1.00 43.22 H new ATOM 0 HB VAL A 10 -3.563 -4.172 3.988 1.00 3.44 H new ATOM 0 HG11 VAL A 10 -4.679 -3.122 2.038 1.00 70.11 H new ATOM 0 HG12 VAL A 10 -5.346 -2.542 3.582 1.00 70.11 H new ATOM 0 HG13 VAL A 10 -4.228 -1.515 2.654 1.00 70.11 H new ATOM 0 HG21 VAL A 10 -2.290 -3.845 1.871 1.00 55.44 H new ATOM 0 HG22 VAL A 10 -1.685 -2.289 2.486 1.00 55.44 H new ATOM 0 HG23 VAL A 10 -1.228 -3.805 3.298 1.00 55.44 H new ATOM 162 N LYS A 11 -4.478 -1.165 6.458 1.00 1.31 N ATOM 163 CA LYS A 11 -5.606 -0.974 7.374 1.00 63.12 C ATOM 164 C LYS A 11 -6.748 -0.325 6.583 1.00 55.41 C ATOM 165 O LYS A 11 -6.732 0.882 6.341 1.00 63.24 O ATOM 166 CB LYS A 11 -5.166 -0.071 8.562 1.00 64.51 C ATOM 167 CG LYS A 11 -6.262 0.170 9.632 1.00 61.10 C ATOM 168 CD LYS A 11 -5.803 1.098 10.782 1.00 21.33 C ATOM 169 CE LYS A 11 -4.581 0.551 11.546 1.00 21.44 C ATOM 170 NZ LYS A 11 -4.194 1.437 12.672 1.00 64.14 N ATOM 0 H LYS A 11 -3.992 -0.298 6.227 1.00 1.31 H new ATOM 0 HA LYS A 11 -5.941 -1.926 7.785 1.00 63.12 H new ATOM 0 HB2 LYS A 11 -4.300 -0.524 9.044 1.00 64.51 H new ATOM 0 HB3 LYS A 11 -4.843 0.893 8.168 1.00 64.51 H new ATOM 0 HG2 LYS A 11 -7.139 0.605 9.152 1.00 61.10 H new ATOM 0 HG3 LYS A 11 -6.569 -0.789 10.049 1.00 61.10 H new ATOM 0 HD2 LYS A 11 -5.560 2.079 10.375 1.00 21.33 H new ATOM 0 HD3 LYS A 11 -6.628 1.238 11.480 1.00 21.33 H new ATOM 0 HE2 LYS A 11 -4.807 -0.445 11.928 1.00 21.44 H new ATOM 0 HE3 LYS A 11 -3.740 0.446 10.860 1.00 21.44 H new ATOM 0 HZ1 LYS A 11 -3.369 1.036 13.162 1.00 64.14 H new ATOM 0 HZ2 LYS A 11 -3.954 2.380 12.305 1.00 64.14 H new ATOM 0 HZ3 LYS A 11 -4.987 1.517 13.340 1.00 64.14 H new ATOM 184 N ILE A 12 -7.739 -1.130 6.191 1.00 24.23 N ATOM 185 CA ILE A 12 -8.838 -0.682 5.318 1.00 73.45 C ATOM 186 C ILE A 12 -10.185 -0.830 6.039 1.00 54.34 C ATOM 187 O ILE A 12 -10.542 -1.918 6.505 1.00 14.31 O ATOM 188 CB ILE A 12 -8.832 -1.434 3.924 1.00 44.43 C ATOM 189 CG1 ILE A 12 -10.019 -0.953 3.019 1.00 51.01 C ATOM 190 CG2 ILE A 12 -8.829 -2.976 4.091 1.00 11.24 C ATOM 191 CD1 ILE A 12 -10.005 -1.497 1.597 1.00 53.23 C ATOM 0 H ILE A 12 -7.806 -2.110 6.467 1.00 24.23 H new ATOM 0 HA ILE A 12 -8.684 0.374 5.098 1.00 73.45 H new ATOM 0 HB ILE A 12 -7.901 -1.173 3.420 1.00 44.43 H new ATOM 0 HG12 ILE A 12 -10.957 -1.241 3.493 1.00 51.01 H new ATOM 0 HG13 ILE A 12 -10.005 0.136 2.976 1.00 51.01 H new ATOM 0 HG21 ILE A 12 -8.825 -3.448 3.109 1.00 11.24 H new ATOM 0 HG22 ILE A 12 -7.940 -3.280 4.644 1.00 11.24 H new ATOM 0 HG23 ILE A 12 -9.720 -3.284 4.638 1.00 11.24 H new ATOM 0 HD11 ILE A 12 -10.864 -1.108 1.050 1.00 53.23 H new ATOM 0 HD12 ILE A 12 -9.087 -1.187 1.098 1.00 53.23 H new ATOM 0 HD13 ILE A 12 -10.054 -2.586 1.623 1.00 53.23 H new ATOM 203 N THR A 13 -10.909 0.289 6.169 1.00 62.40 N ATOM 204 CA THR A 13 -12.230 0.320 6.791 1.00 73.23 C ATOM 205 C THR A 13 -13.300 0.092 5.714 1.00 75.31 C ATOM 206 O THR A 13 -13.358 0.825 4.716 1.00 3.25 O ATOM 207 CB THR A 13 -12.466 1.669 7.529 1.00 44.32 C ATOM 208 OG1 THR A 13 -11.369 1.892 8.422 1.00 14.50 O ATOM 209 CG2 THR A 13 -13.786 1.676 8.327 1.00 70.41 C ATOM 0 H THR A 13 -10.589 1.201 5.842 1.00 62.40 H new ATOM 0 HA THR A 13 -12.294 -0.474 7.535 1.00 73.23 H new ATOM 0 HB THR A 13 -12.535 2.460 6.783 1.00 44.32 H new ATOM 0 HG1 THR A 13 -11.500 2.740 8.895 1.00 14.50 H new ATOM 0 HG21 THR A 13 -13.905 2.639 8.824 1.00 70.41 H new ATOM 0 HG22 THR A 13 -14.623 1.512 7.648 1.00 70.41 H new ATOM 0 HG23 THR A 13 -13.764 0.882 9.074 1.00 70.41 H new ATOM 217 N CYS A 14 -14.123 -0.941 5.927 1.00 43.12 N ATOM 218 CA CYS A 14 -15.120 -1.405 4.968 1.00 74.35 C ATOM 219 C CYS A 14 -16.225 -2.165 5.722 1.00 11.21 C ATOM 220 O CYS A 14 -15.932 -3.066 6.517 1.00 51.21 O ATOM 221 CB CYS A 14 -14.437 -2.305 3.911 1.00 32.14 C ATOM 222 SG CYS A 14 -15.546 -3.208 2.775 1.00 35.15 S ATOM 0 H CYS A 14 -14.111 -1.486 6.789 1.00 43.12 H new ATOM 0 HA CYS A 14 -15.574 -0.560 4.450 1.00 74.35 H new ATOM 0 HB2 CYS A 14 -13.769 -1.684 3.314 1.00 32.14 H new ATOM 0 HB3 CYS A 14 -13.815 -3.033 4.432 1.00 32.14 H new ATOM 227 N ASN A 15 -17.488 -1.729 5.494 1.00 74.40 N ATOM 228 CA ASN A 15 -18.718 -2.357 6.029 1.00 41.53 C ATOM 229 C ASN A 15 -18.784 -2.222 7.573 1.00 43.30 C ATOM 230 O ASN A 15 -19.446 -3.005 8.262 1.00 50.40 O ATOM 231 CB ASN A 15 -18.836 -3.843 5.528 1.00 53.32 C ATOM 232 CG ASN A 15 -20.256 -4.401 5.611 1.00 3.33 C ATOM 233 OD1 ASN A 15 -20.630 -5.055 6.580 1.00 41.44 O ATOM 234 ND2 ASN A 15 -21.061 -4.135 4.599 1.00 33.20 N ATOM 0 H ASN A 15 -17.683 -0.910 4.918 1.00 74.40 H new ATOM 0 HA ASN A 15 -19.589 -1.827 5.644 1.00 41.53 H new ATOM 0 HB2 ASN A 15 -18.492 -3.899 4.495 1.00 53.32 H new ATOM 0 HB3 ASN A 15 -18.171 -4.472 6.120 1.00 53.32 H new ATOM 0 HD21 ASN A 15 -22.022 -4.476 4.609 1.00 33.20 H new ATOM 0 HD22 ASN A 15 -20.722 -3.589 3.807 1.00 33.20 H new ATOM 241 N GLY A 16 -18.098 -1.182 8.098 1.00 72.22 N ATOM 242 CA GLY A 16 -18.059 -0.894 9.543 1.00 70.33 C ATOM 243 C GLY A 16 -16.972 -1.655 10.294 1.00 30.32 C ATOM 244 O GLY A 16 -16.856 -1.522 11.517 1.00 4.23 O ATOM 0 H GLY A 16 -17.560 -0.525 7.533 1.00 72.22 H new ATOM 0 HA2 GLY A 16 -17.906 0.176 9.687 1.00 70.33 H new ATOM 0 HA3 GLY A 16 -19.028 -1.139 9.979 1.00 70.33 H new ATOM 248 N LYS A 17 -16.177 -2.454 9.564 1.00 23.32 N ATOM 249 CA LYS A 17 -15.080 -3.266 10.130 1.00 0.04 C ATOM 250 C LYS A 17 -13.721 -2.693 9.693 1.00 75.13 C ATOM 251 O LYS A 17 -13.619 -2.070 8.632 1.00 21.34 O ATOM 252 CB LYS A 17 -15.218 -4.730 9.644 1.00 2.12 C ATOM 253 CG LYS A 17 -16.527 -5.451 10.063 1.00 34.20 C ATOM 254 CD LYS A 17 -16.608 -5.748 11.579 1.00 5.45 C ATOM 255 CE LYS A 17 -15.493 -6.702 12.051 1.00 10.24 C ATOM 256 NZ LYS A 17 -15.498 -8.002 11.320 1.00 44.43 N ATOM 0 H LYS A 17 -16.276 -2.558 8.554 1.00 23.32 H new ATOM 0 HA LYS A 17 -15.138 -3.240 11.218 1.00 0.04 H new ATOM 0 HB2 LYS A 17 -15.149 -4.742 8.556 1.00 2.12 H new ATOM 0 HB3 LYS A 17 -14.371 -5.302 10.023 1.00 2.12 H new ATOM 0 HG2 LYS A 17 -17.380 -4.836 9.775 1.00 34.20 H new ATOM 0 HG3 LYS A 17 -16.609 -6.388 9.512 1.00 34.20 H new ATOM 0 HD2 LYS A 17 -16.541 -4.812 12.134 1.00 5.45 H new ATOM 0 HD3 LYS A 17 -17.579 -6.186 11.809 1.00 5.45 H new ATOM 0 HE2 LYS A 17 -14.526 -6.218 11.916 1.00 10.24 H new ATOM 0 HE3 LYS A 17 -15.609 -6.890 13.118 1.00 10.24 H new ATOM 0 HZ1 LYS A 17 -14.821 -8.653 11.766 1.00 44.43 H new ATOM 0 HZ2 LYS A 17 -16.451 -8.416 11.355 1.00 44.43 H new ATOM 0 HZ3 LYS A 17 -15.226 -7.844 10.329 1.00 44.43 H new ATOM 270 N THR A 18 -12.680 -2.922 10.510 1.00 71.11 N ATOM 271 CA THR A 18 -11.315 -2.431 10.239 1.00 14.12 C ATOM 272 C THR A 18 -10.384 -3.629 9.968 1.00 32.21 C ATOM 273 O THR A 18 -10.031 -4.372 10.893 1.00 24.24 O ATOM 274 CB THR A 18 -10.793 -1.600 11.453 1.00 71.12 C ATOM 275 OG1 THR A 18 -11.761 -0.588 11.785 1.00 52.04 O ATOM 276 CG2 THR A 18 -9.434 -0.935 11.163 1.00 44.02 C ATOM 0 H THR A 18 -12.759 -3.453 11.378 1.00 71.11 H new ATOM 0 HA THR A 18 -11.330 -1.785 9.361 1.00 14.12 H new ATOM 0 HB THR A 18 -10.651 -2.285 12.289 1.00 71.12 H new ATOM 0 HG1 THR A 18 -11.438 -0.065 12.548 1.00 52.04 H new ATOM 0 HG21 THR A 18 -9.112 -0.368 12.037 1.00 44.02 H new ATOM 0 HG22 THR A 18 -8.694 -1.703 10.936 1.00 44.02 H new ATOM 0 HG23 THR A 18 -9.532 -0.263 10.311 1.00 44.02 H new ATOM 284 N TYR A 19 -9.986 -3.810 8.698 1.00 41.41 N ATOM 285 CA TYR A 19 -9.182 -4.969 8.268 1.00 51.24 C ATOM 286 C TYR A 19 -7.731 -4.505 8.147 1.00 71.32 C ATOM 287 O TYR A 19 -7.362 -3.883 7.152 1.00 10.13 O ATOM 288 CB TYR A 19 -9.686 -5.515 6.897 1.00 42.22 C ATOM 289 CG TYR A 19 -11.198 -5.788 6.838 1.00 54.15 C ATOM 290 CD1 TYR A 19 -11.727 -7.019 7.228 1.00 14.43 C ATOM 291 CD2 TYR A 19 -12.092 -4.810 6.391 1.00 45.53 C ATOM 292 CE1 TYR A 19 -13.086 -7.259 7.174 1.00 45.51 C ATOM 293 CE2 TYR A 19 -13.448 -5.051 6.336 1.00 23.23 C ATOM 294 CZ TYR A 19 -13.941 -6.273 6.726 1.00 52.34 C ATOM 295 OH TYR A 19 -15.302 -6.508 6.697 1.00 0.41 O ATOM 0 H TYR A 19 -10.210 -3.162 7.943 1.00 41.41 H new ATOM 0 HA TYR A 19 -9.270 -5.776 8.996 1.00 51.24 H new ATOM 0 HB2 TYR A 19 -9.428 -4.798 6.117 1.00 42.22 H new ATOM 0 HB3 TYR A 19 -9.153 -6.438 6.670 1.00 42.22 H new ATOM 0 HD1 TYR A 19 -11.063 -7.796 7.577 1.00 14.43 H new ATOM 0 HD2 TYR A 19 -11.713 -3.847 6.083 1.00 45.53 H new ATOM 0 HE1 TYR A 19 -13.479 -8.217 7.482 1.00 45.51 H new ATOM 0 HE2 TYR A 19 -14.121 -4.282 5.987 1.00 23.23 H new ATOM 0 HH TYR A 19 -15.764 -5.713 6.357 1.00 0.41 H new ATOM 305 N GLU A 20 -6.920 -4.788 9.176 1.00 44.43 N ATOM 306 CA GLU A 20 -5.501 -4.397 9.208 1.00 71.21 C ATOM 307 C GLU A 20 -4.622 -5.653 9.211 1.00 50.52 C ATOM 308 O GLU A 20 -4.757 -6.530 10.080 1.00 54.35 O ATOM 309 CB GLU A 20 -5.224 -3.438 10.404 1.00 63.15 C ATOM 310 CG GLU A 20 -5.700 -3.910 11.796 1.00 73.10 C ATOM 311 CD GLU A 20 -5.670 -2.781 12.851 1.00 12.55 C ATOM 312 OE1 GLU A 20 -4.598 -2.522 13.445 1.00 42.14 O ATOM 313 OE2 GLU A 20 -6.712 -2.126 13.073 1.00 11.02 O ATOM 0 H GLU A 20 -7.227 -5.293 10.008 1.00 44.43 H new ATOM 0 HA GLU A 20 -5.246 -3.834 8.310 1.00 71.21 H new ATOM 0 HB2 GLU A 20 -4.150 -3.258 10.454 1.00 63.15 H new ATOM 0 HB3 GLU A 20 -5.698 -2.480 10.189 1.00 63.15 H new ATOM 0 HG2 GLU A 20 -6.715 -4.300 11.716 1.00 73.10 H new ATOM 0 HG3 GLU A 20 -5.068 -4.732 12.132 1.00 73.10 H new ATOM 320 N ARG A 21 -3.734 -5.742 8.205 1.00 31.15 N ATOM 321 CA ARG A 21 -2.963 -6.958 7.912 1.00 40.24 C ATOM 322 C ARG A 21 -1.528 -6.593 7.512 1.00 3.31 C ATOM 323 O ARG A 21 -1.326 -5.776 6.610 1.00 24.21 O ATOM 324 CB ARG A 21 -3.640 -7.747 6.754 1.00 12.12 C ATOM 325 CG ARG A 21 -3.004 -9.135 6.442 1.00 23.23 C ATOM 326 CD ARG A 21 -3.506 -10.261 7.367 1.00 71.44 C ATOM 327 NE ARG A 21 -3.207 -10.014 8.789 1.00 71.43 N ATOM 328 CZ ARG A 21 -3.996 -10.336 9.827 1.00 64.24 C ATOM 329 NH1 ARG A 21 -5.176 -10.927 9.639 1.00 32.34 N ATOM 330 NH2 ARG A 21 -3.585 -10.056 11.054 1.00 64.53 N ATOM 0 H ARG A 21 -3.532 -4.968 7.572 1.00 31.15 H new ATOM 0 HA ARG A 21 -2.936 -7.579 8.807 1.00 40.24 H new ATOM 0 HB2 ARG A 21 -4.692 -7.893 7.001 1.00 12.12 H new ATOM 0 HB3 ARG A 21 -3.606 -7.138 5.851 1.00 12.12 H new ATOM 0 HG2 ARG A 21 -3.221 -9.401 5.407 1.00 23.23 H new ATOM 0 HG3 ARG A 21 -1.920 -9.058 6.531 1.00 23.23 H new ATOM 0 HD2 ARG A 21 -4.583 -10.373 7.242 1.00 71.44 H new ATOM 0 HD3 ARG A 21 -3.050 -11.203 7.064 1.00 71.44 H new ATOM 0 HE ARG A 21 -2.321 -9.557 9.004 1.00 71.43 H new ATOM 0 HH11 ARG A 21 -5.494 -11.142 8.694 1.00 32.34 H new ATOM 0 HH12 ARG A 21 -5.761 -11.164 10.440 1.00 32.34 H new ATOM 0 HH21 ARG A 21 -2.683 -9.603 11.199 1.00 64.53 H new ATOM 0 HH22 ARG A 21 -4.171 -10.293 11.855 1.00 64.53 H new ATOM 344 N THR A 22 -0.547 -7.209 8.187 1.00 10.32 N ATOM 345 CA THR A 22 0.876 -7.038 7.887 1.00 41.22 C ATOM 346 C THR A 22 1.306 -8.038 6.789 1.00 34.43 C ATOM 347 O THR A 22 1.319 -9.252 7.017 1.00 73.54 O ATOM 348 CB THR A 22 1.725 -7.246 9.182 1.00 15.05 C ATOM 349 OG1 THR A 22 1.206 -6.412 10.228 1.00 0.02 O ATOM 350 CG2 THR A 22 3.212 -6.921 8.971 1.00 14.24 C ATOM 0 H THR A 22 -0.724 -7.846 8.964 1.00 10.32 H new ATOM 0 HA THR A 22 1.046 -6.025 7.522 1.00 41.22 H new ATOM 0 HB THR A 22 1.654 -8.300 9.452 1.00 15.05 H new ATOM 0 HG1 THR A 22 1.735 -6.541 11.043 1.00 0.02 H new ATOM 0 HG21 THR A 22 3.755 -7.082 9.902 1.00 14.24 H new ATOM 0 HG22 THR A 22 3.620 -7.570 8.196 1.00 14.24 H new ATOM 0 HG23 THR A 22 3.317 -5.880 8.665 1.00 14.24 H new ATOM 358 N TYR A 23 1.623 -7.511 5.597 1.00 51.44 N ATOM 359 CA TYR A 23 2.109 -8.306 4.453 1.00 30.24 C ATOM 360 C TYR A 23 3.639 -8.231 4.395 1.00 4.54 C ATOM 361 O TYR A 23 4.202 -7.150 4.240 1.00 41.50 O ATOM 362 CB TYR A 23 1.513 -7.770 3.118 1.00 3.13 C ATOM 363 CG TYR A 23 0.015 -8.049 2.924 1.00 71.23 C ATOM 364 CD1 TYR A 23 -0.962 -7.153 3.375 1.00 52.42 C ATOM 365 CD2 TYR A 23 -0.415 -9.208 2.269 1.00 74.22 C ATOM 366 CE1 TYR A 23 -2.308 -7.412 3.181 1.00 32.43 C ATOM 367 CE2 TYR A 23 -1.754 -9.470 2.075 1.00 5.44 C ATOM 368 CZ TYR A 23 -2.696 -8.574 2.532 1.00 10.44 C ATOM 369 OH TYR A 23 -4.033 -8.835 2.329 1.00 32.32 O ATOM 0 H TYR A 23 1.550 -6.514 5.396 1.00 51.44 H new ATOM 0 HA TYR A 23 1.792 -9.340 4.586 1.00 30.24 H new ATOM 0 HB2 TYR A 23 1.677 -6.694 3.069 1.00 3.13 H new ATOM 0 HB3 TYR A 23 2.062 -8.214 2.287 1.00 3.13 H new ATOM 0 HD1 TYR A 23 -0.661 -6.248 3.881 1.00 52.42 H new ATOM 0 HD2 TYR A 23 0.319 -9.913 1.907 1.00 74.22 H new ATOM 0 HE1 TYR A 23 -3.052 -6.713 3.533 1.00 32.43 H new ATOM 0 HE2 TYR A 23 -2.063 -10.372 1.568 1.00 5.44 H new ATOM 0 HH TYR A 23 -4.132 -9.689 1.859 1.00 32.32 H new ATOM 379 N GLN A 24 4.302 -9.390 4.501 1.00 33.50 N ATOM 380 CA GLN A 24 5.768 -9.468 4.469 1.00 74.41 C ATOM 381 C GLN A 24 6.210 -9.565 3.000 1.00 21.45 C ATOM 382 O GLN A 24 5.997 -10.591 2.345 1.00 53.44 O ATOM 383 CB GLN A 24 6.286 -10.679 5.303 1.00 2.42 C ATOM 384 CG GLN A 24 6.051 -10.573 6.837 1.00 63.22 C ATOM 385 CD GLN A 24 4.578 -10.680 7.274 1.00 40.00 C ATOM 386 OE1 GLN A 24 3.767 -11.369 6.651 1.00 23.41 O ATOM 387 NE2 GLN A 24 4.220 -10.009 8.358 1.00 33.53 N ATOM 0 H GLN A 24 3.841 -10.293 4.611 1.00 33.50 H new ATOM 0 HA GLN A 24 6.198 -8.575 4.922 1.00 74.41 H new ATOM 0 HB2 GLN A 24 5.801 -11.585 4.939 1.00 2.42 H new ATOM 0 HB3 GLN A 24 7.355 -10.794 5.122 1.00 2.42 H new ATOM 0 HG2 GLN A 24 6.620 -11.359 7.333 1.00 63.22 H new ATOM 0 HG3 GLN A 24 6.451 -9.621 7.187 1.00 63.22 H new ATOM 0 HE21 GLN A 24 4.907 -9.445 8.859 1.00 33.53 H new ATOM 0 HE22 GLN A 24 3.258 -10.056 8.692 1.00 33.53 H new ATOM 396 N LEU A 25 6.822 -8.480 2.487 1.00 51.21 N ATOM 397 CA LEU A 25 7.277 -8.376 1.087 1.00 4.04 C ATOM 398 C LEU A 25 8.794 -8.139 1.063 1.00 50.54 C ATOM 399 O LEU A 25 9.305 -7.295 1.796 1.00 42.34 O ATOM 400 CB LEU A 25 6.538 -7.219 0.344 1.00 22.44 C ATOM 401 CG LEU A 25 4.993 -7.382 0.160 1.00 22.43 C ATOM 402 CD1 LEU A 25 4.390 -6.174 -0.584 1.00 25.20 C ATOM 403 CD2 LEU A 25 4.648 -8.710 -0.552 1.00 15.44 C ATOM 0 H LEU A 25 7.016 -7.644 3.038 1.00 51.21 H new ATOM 0 HA LEU A 25 7.044 -9.307 0.571 1.00 4.04 H new ATOM 0 HB2 LEU A 25 6.721 -6.292 0.888 1.00 22.44 H new ATOM 0 HB3 LEU A 25 6.989 -7.104 -0.642 1.00 22.44 H new ATOM 0 HG LEU A 25 4.544 -7.417 1.153 1.00 22.43 H new ATOM 0 HD11 LEU A 25 3.315 -6.316 -0.697 1.00 25.20 H new ATOM 0 HD12 LEU A 25 4.578 -5.264 -0.013 1.00 25.20 H new ATOM 0 HD13 LEU A 25 4.850 -6.086 -1.568 1.00 25.20 H new ATOM 0 HD21 LEU A 25 3.567 -8.792 -0.664 1.00 15.44 H new ATOM 0 HD22 LEU A 25 5.117 -8.728 -1.536 1.00 15.44 H new ATOM 0 HD23 LEU A 25 5.016 -9.547 0.041 1.00 15.44 H new ATOM 415 N TYR A 26 9.500 -8.901 0.224 1.00 43.33 N ATOM 416 CA TYR A 26 10.953 -8.775 0.039 1.00 41.12 C ATOM 417 C TYR A 26 11.244 -8.594 -1.457 1.00 41.21 C ATOM 418 O TYR A 26 10.660 -9.291 -2.300 1.00 50.44 O ATOM 419 CB TYR A 26 11.674 -10.042 0.599 1.00 2.42 C ATOM 420 CG TYR A 26 13.218 -9.981 0.577 1.00 24.34 C ATOM 421 CD1 TYR A 26 13.953 -10.280 -0.583 1.00 71.04 C ATOM 422 CD2 TYR A 26 13.939 -9.629 1.718 1.00 51.42 C ATOM 423 CE1 TYR A 26 15.336 -10.223 -0.593 1.00 32.31 C ATOM 424 CE2 TYR A 26 15.319 -9.571 1.708 1.00 72.00 C ATOM 425 CZ TYR A 26 16.013 -9.868 0.557 1.00 2.44 C ATOM 426 OH TYR A 26 17.392 -9.805 0.556 1.00 34.44 O ATOM 0 H TYR A 26 9.078 -9.630 -0.352 1.00 43.33 H new ATOM 0 HA TYR A 26 11.328 -7.909 0.584 1.00 41.12 H new ATOM 0 HB2 TYR A 26 11.347 -10.203 1.626 1.00 2.42 H new ATOM 0 HB3 TYR A 26 11.352 -10.909 0.022 1.00 2.42 H new ATOM 0 HD1 TYR A 26 13.428 -10.560 -1.485 1.00 71.04 H new ATOM 0 HD2 TYR A 26 13.407 -9.397 2.629 1.00 51.42 H new ATOM 0 HE1 TYR A 26 15.883 -10.455 -1.495 1.00 32.31 H new ATOM 0 HE2 TYR A 26 15.854 -9.292 2.604 1.00 72.00 H new ATOM 0 HH TYR A 26 17.708 -9.539 1.445 1.00 34.44 H new ATOM 436 N ALA A 27 12.138 -7.656 -1.775 1.00 31.14 N ATOM 437 CA ALA A 27 12.641 -7.451 -3.144 1.00 42.32 C ATOM 438 C ALA A 27 14.007 -6.770 -3.087 1.00 64.12 C ATOM 439 O ALA A 27 14.312 -6.055 -2.121 1.00 44.13 O ATOM 440 CB ALA A 27 11.660 -6.622 -3.991 1.00 32.12 C ATOM 0 H ALA A 27 12.538 -7.013 -1.092 1.00 31.14 H new ATOM 0 HA ALA A 27 12.739 -8.425 -3.624 1.00 42.32 H new ATOM 0 HB1 ALA A 27 12.066 -6.492 -4.994 1.00 32.12 H new ATOM 0 HB2 ALA A 27 10.703 -7.140 -4.051 1.00 32.12 H new ATOM 0 HB3 ALA A 27 11.515 -5.646 -3.529 1.00 32.12 H new ATOM 446 N VAL A 28 14.819 -7.023 -4.121 1.00 53.44 N ATOM 447 CA VAL A 28 16.115 -6.370 -4.316 1.00 3.53 C ATOM 448 C VAL A 28 15.891 -4.879 -4.636 1.00 25.32 C ATOM 449 O VAL A 28 16.337 -3.994 -3.895 1.00 61.43 O ATOM 450 CB VAL A 28 16.933 -7.062 -5.477 1.00 65.30 C ATOM 451 CG1 VAL A 28 18.274 -6.334 -5.753 1.00 24.43 C ATOM 452 CG2 VAL A 28 17.160 -8.572 -5.183 1.00 32.33 C ATOM 0 H VAL A 28 14.590 -7.695 -4.853 1.00 53.44 H new ATOM 0 HA VAL A 28 16.696 -6.465 -3.399 1.00 3.53 H new ATOM 0 HB VAL A 28 16.334 -6.985 -6.384 1.00 65.30 H new ATOM 0 HG11 VAL A 28 18.805 -6.842 -6.558 1.00 24.43 H new ATOM 0 HG12 VAL A 28 18.075 -5.303 -6.044 1.00 24.43 H new ATOM 0 HG13 VAL A 28 18.886 -6.345 -4.851 1.00 24.43 H new ATOM 0 HG21 VAL A 28 17.726 -9.021 -6.000 1.00 32.33 H new ATOM 0 HG22 VAL A 28 17.717 -8.682 -4.253 1.00 32.33 H new ATOM 0 HG23 VAL A 28 16.197 -9.073 -5.090 1.00 32.33 H new ATOM 462 N ARG A 29 15.168 -4.624 -5.740 1.00 11.44 N ATOM 463 CA ARG A 29 14.884 -3.265 -6.222 1.00 2.21 C ATOM 464 C ARG A 29 13.507 -2.774 -5.751 1.00 21.41 C ATOM 465 O ARG A 29 12.633 -3.560 -5.351 1.00 43.41 O ATOM 466 CB ARG A 29 14.944 -3.207 -7.768 1.00 42.31 C ATOM 467 CG ARG A 29 16.305 -3.567 -8.403 1.00 33.23 C ATOM 468 CD ARG A 29 16.245 -3.504 -9.937 1.00 4.41 C ATOM 469 NE ARG A 29 17.541 -3.752 -10.584 1.00 61.32 N ATOM 470 CZ ARG A 29 17.790 -3.568 -11.892 1.00 20.15 C ATOM 471 NH1 ARG A 29 16.839 -3.122 -12.718 1.00 33.11 N ATOM 472 NH2 ARG A 29 18.998 -3.828 -12.364 1.00 22.00 N ATOM 0 H ARG A 29 14.764 -5.357 -6.323 1.00 11.44 H new ATOM 0 HA ARG A 29 15.649 -2.611 -5.803 1.00 2.21 H new ATOM 0 HB2 ARG A 29 14.188 -3.883 -8.167 1.00 42.31 H new ATOM 0 HB3 ARG A 29 14.671 -2.201 -8.086 1.00 42.31 H new ATOM 0 HG2 ARG A 29 17.070 -2.881 -8.039 1.00 33.23 H new ATOM 0 HG3 ARG A 29 16.600 -4.569 -8.090 1.00 33.23 H new ATOM 0 HD2 ARG A 29 15.523 -4.238 -10.295 1.00 4.41 H new ATOM 0 HD3 ARG A 29 15.879 -2.523 -10.239 1.00 4.41 H new ATOM 0 HE ARG A 29 18.306 -4.088 -9.999 1.00 61.32 H new ATOM 0 HH11 ARG A 29 15.907 -2.916 -12.359 1.00 33.11 H new ATOM 0 HH12 ARG A 29 17.045 -2.988 -13.708 1.00 33.11 H new ATOM 0 HH21 ARG A 29 19.729 -4.164 -11.737 1.00 22.00 H new ATOM 0 HH22 ARG A 29 19.199 -3.692 -13.355 1.00 22.00 H new ATOM 486 N ASP A 30 13.351 -1.455 -5.844 1.00 61.12 N ATOM 487 CA ASP A 30 12.103 -0.722 -5.584 1.00 53.23 C ATOM 488 C ASP A 30 11.027 -1.057 -6.651 1.00 43.22 C ATOM 489 O ASP A 30 9.835 -1.167 -6.338 1.00 31.34 O ATOM 490 CB ASP A 30 12.418 0.804 -5.591 1.00 65.14 C ATOM 491 CG ASP A 30 12.890 1.352 -6.972 1.00 34.52 C ATOM 492 OD1 ASP A 30 13.708 0.695 -7.661 1.00 24.31 O ATOM 493 OD2 ASP A 30 12.449 2.439 -7.375 1.00 45.11 O ATOM 0 H ASP A 30 14.118 -0.839 -6.113 1.00 61.12 H new ATOM 0 HA ASP A 30 11.704 -1.018 -4.614 1.00 53.23 H new ATOM 0 HB2 ASP A 30 11.526 1.349 -5.282 1.00 65.14 H new ATOM 0 HB3 ASP A 30 13.190 1.008 -4.849 1.00 65.14 H new ATOM 498 N GLU A 31 11.491 -1.225 -7.911 1.00 70.23 N ATOM 499 CA GLU A 31 10.634 -1.462 -9.085 1.00 60.13 C ATOM 500 C GLU A 31 9.947 -2.833 -9.015 1.00 44.01 C ATOM 501 O GLU A 31 8.820 -2.995 -9.492 1.00 5.10 O ATOM 502 CB GLU A 31 11.463 -1.332 -10.392 1.00 12.43 C ATOM 503 CG GLU A 31 12.629 -2.331 -10.515 1.00 2.55 C ATOM 504 CD GLU A 31 13.427 -2.199 -11.822 1.00 71.22 C ATOM 505 OE1 GLU A 31 14.372 -1.381 -11.876 1.00 55.14 O ATOM 506 OE2 GLU A 31 13.122 -2.914 -12.799 1.00 71.25 O ATOM 0 H GLU A 31 12.485 -1.199 -8.139 1.00 70.23 H new ATOM 0 HA GLU A 31 9.852 -0.703 -9.086 1.00 60.13 H new ATOM 0 HB2 GLU A 31 10.796 -1.465 -11.244 1.00 12.43 H new ATOM 0 HB3 GLU A 31 11.862 -0.319 -10.455 1.00 12.43 H new ATOM 0 HG2 GLU A 31 13.305 -2.190 -9.672 1.00 2.55 H new ATOM 0 HG3 GLU A 31 12.235 -3.345 -10.442 1.00 2.55 H new ATOM 513 N GLU A 32 10.638 -3.803 -8.397 1.00 4.32 N ATOM 514 CA GLU A 32 10.115 -5.159 -8.202 1.00 35.41 C ATOM 515 C GLU A 32 8.917 -5.125 -7.240 1.00 0.31 C ATOM 516 O GLU A 32 7.947 -5.858 -7.417 1.00 34.24 O ATOM 517 CB GLU A 32 11.226 -6.077 -7.636 1.00 2.33 C ATOM 518 CG GLU A 32 12.540 -6.069 -8.441 1.00 25.31 C ATOM 519 CD GLU A 32 12.399 -6.588 -9.884 1.00 64.35 C ATOM 520 OE1 GLU A 32 12.217 -7.813 -10.064 1.00 64.30 O ATOM 521 OE2 GLU A 32 12.476 -5.779 -10.839 1.00 12.21 O ATOM 0 H GLU A 32 11.576 -3.667 -8.019 1.00 4.32 H new ATOM 0 HA GLU A 32 9.785 -5.555 -9.163 1.00 35.41 H new ATOM 0 HB2 GLU A 32 11.442 -5.774 -6.611 1.00 2.33 H new ATOM 0 HB3 GLU A 32 10.848 -7.098 -7.594 1.00 2.33 H new ATOM 0 HG2 GLU A 32 12.930 -5.051 -8.469 1.00 25.31 H new ATOM 0 HG3 GLU A 32 13.277 -6.678 -7.918 1.00 25.31 H new ATOM 528 N LEU A 33 9.003 -4.220 -6.244 1.00 54.40 N ATOM 529 CA LEU A 33 8.005 -4.081 -5.175 1.00 22.42 C ATOM 530 C LEU A 33 6.677 -3.501 -5.733 1.00 13.03 C ATOM 531 O LEU A 33 5.622 -3.765 -5.165 1.00 34.05 O ATOM 532 CB LEU A 33 8.579 -3.198 -4.004 1.00 32.12 C ATOM 533 CG LEU A 33 8.335 -3.714 -2.535 1.00 5.04 C ATOM 534 CD1 LEU A 33 6.842 -3.855 -2.189 1.00 52.54 C ATOM 535 CD2 LEU A 33 9.080 -5.037 -2.266 1.00 43.11 C ATOM 0 H LEU A 33 9.777 -3.561 -6.162 1.00 54.40 H new ATOM 0 HA LEU A 33 7.783 -5.069 -4.771 1.00 22.42 H new ATOM 0 HB2 LEU A 33 9.654 -3.095 -4.153 1.00 32.12 H new ATOM 0 HB3 LEU A 33 8.148 -2.200 -4.089 1.00 32.12 H new ATOM 0 HG LEU A 33 8.745 -2.947 -1.878 1.00 5.04 H new ATOM 0 HD11 LEU A 33 6.738 -4.214 -1.165 1.00 52.54 H new ATOM 0 HD12 LEU A 33 6.353 -2.886 -2.285 1.00 52.54 H new ATOM 0 HD13 LEU A 33 6.376 -4.566 -2.871 1.00 52.54 H new ATOM 0 HD21 LEU A 33 8.888 -5.361 -1.243 1.00 43.11 H new ATOM 0 HD22 LEU A 33 8.729 -5.800 -2.961 1.00 43.11 H new ATOM 0 HD23 LEU A 33 10.151 -4.886 -2.404 1.00 43.11 H new ATOM 547 N LYS A 34 6.749 -2.732 -6.859 1.00 52.21 N ATOM 548 CA LYS A 34 5.560 -2.095 -7.479 1.00 72.21 C ATOM 549 C LYS A 34 4.468 -3.127 -7.796 1.00 32.22 C ATOM 550 O LYS A 34 3.363 -3.059 -7.250 1.00 24.33 O ATOM 551 CB LYS A 34 5.914 -1.331 -8.787 1.00 70.42 C ATOM 552 CG LYS A 34 6.856 -0.126 -8.620 1.00 62.40 C ATOM 553 CD LYS A 34 7.100 0.641 -9.947 1.00 75.54 C ATOM 554 CE LYS A 34 7.706 -0.252 -11.047 1.00 34.22 C ATOM 555 NZ LYS A 34 7.958 0.481 -12.311 1.00 14.34 N ATOM 0 H LYS A 34 7.622 -2.542 -7.352 1.00 52.21 H new ATOM 0 HA LYS A 34 5.189 -1.382 -6.743 1.00 72.21 H new ATOM 0 HB2 LYS A 34 6.372 -2.033 -9.484 1.00 70.42 H new ATOM 0 HB3 LYS A 34 4.988 -0.984 -9.246 1.00 70.42 H new ATOM 0 HG2 LYS A 34 6.435 0.558 -7.883 1.00 62.40 H new ATOM 0 HG3 LYS A 34 7.812 -0.471 -8.225 1.00 62.40 H new ATOM 0 HD2 LYS A 34 6.156 1.056 -10.301 1.00 75.54 H new ATOM 0 HD3 LYS A 34 7.768 1.482 -9.758 1.00 75.54 H new ATOM 0 HE2 LYS A 34 8.642 -0.678 -10.687 1.00 34.22 H new ATOM 0 HE3 LYS A 34 7.031 -1.085 -11.244 1.00 34.22 H new ATOM 0 HZ1 LYS A 34 8.365 -0.169 -13.014 1.00 14.34 H new ATOM 0 HZ2 LYS A 34 7.063 0.866 -12.673 1.00 14.34 H new ATOM 0 HZ3 LYS A 34 8.623 1.260 -12.134 1.00 14.34 H new ATOM 569 N GLU A 35 4.802 -4.087 -8.681 1.00 72.11 N ATOM 570 CA GLU A 35 3.851 -5.110 -9.140 1.00 70.21 C ATOM 571 C GLU A 35 3.342 -5.983 -7.977 1.00 10.02 C ATOM 572 O GLU A 35 2.202 -6.436 -8.013 1.00 45.51 O ATOM 573 CB GLU A 35 4.462 -5.945 -10.310 1.00 45.20 C ATOM 574 CG GLU A 35 5.804 -6.692 -10.033 1.00 32.52 C ATOM 575 CD GLU A 35 5.687 -8.065 -9.329 1.00 3.40 C ATOM 576 OE1 GLU A 35 4.614 -8.710 -9.404 1.00 21.33 O ATOM 577 OE2 GLU A 35 6.695 -8.521 -8.739 1.00 54.20 O ATOM 0 H GLU A 35 5.731 -4.172 -9.093 1.00 72.11 H new ATOM 0 HA GLU A 35 2.970 -4.605 -9.536 1.00 70.21 H new ATOM 0 HB2 GLU A 35 3.723 -6.684 -10.619 1.00 45.20 H new ATOM 0 HB3 GLU A 35 4.617 -5.276 -11.156 1.00 45.20 H new ATOM 0 HG2 GLU A 35 6.318 -6.836 -10.983 1.00 32.52 H new ATOM 0 HG3 GLU A 35 6.436 -6.047 -9.423 1.00 32.52 H new ATOM 584 N LYS A 36 4.186 -6.168 -6.936 1.00 33.41 N ATOM 585 CA LYS A 36 3.825 -6.936 -5.729 1.00 2.22 C ATOM 586 C LYS A 36 2.731 -6.209 -4.940 1.00 71.25 C ATOM 587 O LYS A 36 1.794 -6.845 -4.472 1.00 23.35 O ATOM 588 CB LYS A 36 5.064 -7.172 -4.825 1.00 3.42 C ATOM 589 CG LYS A 36 6.218 -7.865 -5.557 1.00 43.11 C ATOM 590 CD LYS A 36 7.444 -8.156 -4.669 1.00 42.44 C ATOM 591 CE LYS A 36 8.658 -8.617 -5.503 1.00 61.25 C ATOM 592 NZ LYS A 36 8.319 -9.717 -6.452 1.00 12.12 N ATOM 0 H LYS A 36 5.133 -5.789 -6.912 1.00 33.41 H new ATOM 0 HA LYS A 36 3.446 -7.906 -6.051 1.00 2.22 H new ATOM 0 HB2 LYS A 36 5.411 -6.214 -4.437 1.00 3.42 H new ATOM 0 HB3 LYS A 36 4.771 -7.777 -3.967 1.00 3.42 H new ATOM 0 HG2 LYS A 36 5.856 -8.804 -5.977 1.00 43.11 H new ATOM 0 HG3 LYS A 36 6.530 -7.241 -6.394 1.00 43.11 H new ATOM 0 HD2 LYS A 36 7.708 -7.259 -4.108 1.00 42.44 H new ATOM 0 HD3 LYS A 36 7.190 -8.925 -3.940 1.00 42.44 H new ATOM 0 HE2 LYS A 36 9.053 -7.769 -6.062 1.00 61.25 H new ATOM 0 HE3 LYS A 36 9.449 -8.952 -4.832 1.00 61.25 H new ATOM 0 HZ1 LYS A 36 9.194 -10.159 -6.798 1.00 12.12 H new ATOM 0 HZ2 LYS A 36 7.740 -10.430 -5.964 1.00 12.12 H new ATOM 0 HZ3 LYS A 36 7.786 -9.329 -7.257 1.00 12.12 H new ATOM 606 N LEU A 37 2.883 -4.873 -4.799 1.00 20.41 N ATOM 607 CA LEU A 37 1.890 -4.005 -4.141 1.00 22.22 C ATOM 608 C LEU A 37 0.539 -4.086 -4.868 1.00 32.25 C ATOM 609 O LEU A 37 -0.505 -4.110 -4.218 1.00 60.53 O ATOM 610 CB LEU A 37 2.384 -2.535 -4.092 1.00 12.14 C ATOM 611 CG LEU A 37 3.588 -2.243 -3.158 1.00 2.44 C ATOM 612 CD1 LEU A 37 4.132 -0.820 -3.378 1.00 5.43 C ATOM 613 CD2 LEU A 37 3.210 -2.475 -1.677 1.00 73.21 C ATOM 0 H LEU A 37 3.701 -4.369 -5.140 1.00 20.41 H new ATOM 0 HA LEU A 37 1.760 -4.357 -3.118 1.00 22.22 H new ATOM 0 HB2 LEU A 37 2.655 -2.232 -5.103 1.00 12.14 H new ATOM 0 HB3 LEU A 37 1.551 -1.905 -3.782 1.00 12.14 H new ATOM 0 HG LEU A 37 4.384 -2.943 -3.412 1.00 2.44 H new ATOM 0 HD11 LEU A 37 4.975 -0.645 -2.709 1.00 5.43 H new ATOM 0 HD12 LEU A 37 4.460 -0.712 -4.412 1.00 5.43 H new ATOM 0 HD13 LEU A 37 3.346 -0.094 -3.169 1.00 5.43 H new ATOM 0 HD21 LEU A 37 4.072 -2.263 -1.044 1.00 73.21 H new ATOM 0 HD22 LEU A 37 2.388 -1.814 -1.404 1.00 73.21 H new ATOM 0 HD23 LEU A 37 2.904 -3.512 -1.538 1.00 73.21 H new ATOM 625 N LYS A 38 0.577 -4.117 -6.226 1.00 34.11 N ATOM 626 CA LYS A 38 -0.630 -4.288 -7.062 1.00 50.52 C ATOM 627 C LYS A 38 -1.347 -5.607 -6.730 1.00 50.13 C ATOM 628 O LYS A 38 -2.568 -5.617 -6.560 1.00 32.40 O ATOM 629 CB LYS A 38 -0.271 -4.249 -8.569 1.00 45.44 C ATOM 630 CG LYS A 38 0.400 -2.939 -9.040 1.00 74.25 C ATOM 631 CD LYS A 38 0.779 -2.965 -10.539 1.00 13.02 C ATOM 632 CE LYS A 38 -0.443 -3.141 -11.465 1.00 61.23 C ATOM 633 NZ LYS A 38 -0.047 -3.233 -12.893 1.00 53.40 N ATOM 0 H LYS A 38 1.439 -4.025 -6.763 1.00 34.11 H new ATOM 0 HA LYS A 38 -1.303 -3.459 -6.841 1.00 50.52 H new ATOM 0 HB2 LYS A 38 0.395 -5.083 -8.791 1.00 45.44 H new ATOM 0 HB3 LYS A 38 -1.181 -4.404 -9.149 1.00 45.44 H new ATOM 0 HG2 LYS A 38 -0.275 -2.103 -8.855 1.00 74.25 H new ATOM 0 HG3 LYS A 38 1.297 -2.762 -8.446 1.00 74.25 H new ATOM 0 HD2 LYS A 38 1.292 -2.038 -10.795 1.00 13.02 H new ATOM 0 HD3 LYS A 38 1.483 -3.778 -10.716 1.00 13.02 H new ATOM 0 HE2 LYS A 38 -0.987 -4.041 -11.181 1.00 61.23 H new ATOM 0 HE3 LYS A 38 -1.124 -2.301 -11.331 1.00 61.23 H new ATOM 0 HZ1 LYS A 38 -0.896 -3.351 -13.482 1.00 53.40 H new ATOM 0 HZ2 LYS A 38 0.450 -2.363 -13.172 1.00 53.40 H new ATOM 0 HZ3 LYS A 38 0.583 -4.050 -13.027 1.00 53.40 H new ATOM 647 N LYS A 39 -0.568 -6.711 -6.634 1.00 73.44 N ATOM 648 CA LYS A 39 -1.105 -8.050 -6.304 1.00 43.41 C ATOM 649 C LYS A 39 -1.776 -8.023 -4.914 1.00 2.24 C ATOM 650 O LYS A 39 -2.934 -8.398 -4.779 1.00 13.40 O ATOM 651 CB LYS A 39 0.015 -9.136 -6.336 1.00 33.03 C ATOM 652 CG LYS A 39 0.839 -9.209 -7.645 1.00 3.22 C ATOM 653 CD LYS A 39 0.013 -9.554 -8.906 1.00 3.41 C ATOM 654 CE LYS A 39 -0.546 -10.985 -8.890 1.00 41.43 C ATOM 655 NZ LYS A 39 0.527 -12.012 -8.760 1.00 75.44 N ATOM 0 H LYS A 39 0.441 -6.698 -6.782 1.00 73.44 H new ATOM 0 HA LYS A 39 -1.847 -8.310 -7.059 1.00 43.41 H new ATOM 0 HB2 LYS A 39 0.699 -8.952 -5.507 1.00 33.03 H new ATOM 0 HB3 LYS A 39 -0.443 -10.110 -6.161 1.00 33.03 H new ATOM 0 HG2 LYS A 39 1.334 -8.250 -7.802 1.00 3.22 H new ATOM 0 HG3 LYS A 39 1.623 -9.956 -7.524 1.00 3.22 H new ATOM 0 HD2 LYS A 39 -0.813 -8.849 -8.995 1.00 3.41 H new ATOM 0 HD3 LYS A 39 0.639 -9.425 -9.789 1.00 3.41 H new ATOM 0 HE2 LYS A 39 -1.247 -11.089 -8.062 1.00 41.43 H new ATOM 0 HE3 LYS A 39 -1.107 -11.163 -9.807 1.00 41.43 H new ATOM 0 HZ1 LYS A 39 0.132 -12.954 -8.956 1.00 75.44 H new ATOM 0 HZ2 LYS A 39 1.288 -11.807 -9.439 1.00 75.44 H new ATOM 0 HZ3 LYS A 39 0.911 -11.992 -7.794 1.00 75.44 H new ATOM 669 N VAL A 40 -1.021 -7.520 -3.912 1.00 31.12 N ATOM 670 CA VAL A 40 -1.452 -7.395 -2.500 1.00 23.44 C ATOM 671 C VAL A 40 -2.766 -6.595 -2.365 1.00 4.23 C ATOM 672 O VAL A 40 -3.661 -6.985 -1.605 1.00 44.34 O ATOM 673 CB VAL A 40 -0.301 -6.723 -1.643 1.00 0.24 C ATOM 674 CG1 VAL A 40 -0.778 -6.291 -0.236 1.00 70.24 C ATOM 675 CG2 VAL A 40 0.921 -7.669 -1.536 1.00 2.15 C ATOM 0 H VAL A 40 -0.071 -7.181 -4.066 1.00 31.12 H new ATOM 0 HA VAL A 40 -1.647 -8.398 -2.120 1.00 23.44 H new ATOM 0 HB VAL A 40 -0.006 -5.815 -2.169 1.00 0.24 H new ATOM 0 HG11 VAL A 40 0.052 -5.837 0.306 1.00 70.24 H new ATOM 0 HG12 VAL A 40 -1.587 -5.567 -0.332 1.00 70.24 H new ATOM 0 HG13 VAL A 40 -1.135 -7.164 0.311 1.00 70.24 H new ATOM 0 HG21 VAL A 40 1.701 -7.190 -0.944 1.00 2.15 H new ATOM 0 HG22 VAL A 40 0.620 -8.599 -1.055 1.00 2.15 H new ATOM 0 HG23 VAL A 40 1.303 -7.884 -2.534 1.00 2.15 H new ATOM 685 N LEU A 41 -2.871 -5.487 -3.119 1.00 42.50 N ATOM 686 CA LEU A 41 -4.052 -4.614 -3.093 1.00 65.22 C ATOM 687 C LEU A 41 -5.245 -5.296 -3.785 1.00 55.21 C ATOM 688 O LEU A 41 -6.370 -5.143 -3.333 1.00 65.15 O ATOM 689 CB LEU A 41 -3.724 -3.227 -3.715 1.00 70.22 C ATOM 690 CG LEU A 41 -2.841 -2.289 -2.819 1.00 4.44 C ATOM 691 CD1 LEU A 41 -2.343 -1.056 -3.600 1.00 22.41 C ATOM 692 CD2 LEU A 41 -3.607 -1.864 -1.542 1.00 50.23 C ATOM 0 H LEU A 41 -2.142 -5.175 -3.760 1.00 42.50 H new ATOM 0 HA LEU A 41 -4.338 -4.440 -2.056 1.00 65.22 H new ATOM 0 HB2 LEU A 41 -3.213 -3.384 -4.665 1.00 70.22 H new ATOM 0 HB3 LEU A 41 -4.660 -2.715 -3.938 1.00 70.22 H new ATOM 0 HG LEU A 41 -1.962 -2.859 -2.517 1.00 4.44 H new ATOM 0 HD11 LEU A 41 -1.735 -0.431 -2.945 1.00 22.41 H new ATOM 0 HD12 LEU A 41 -1.743 -1.382 -4.450 1.00 22.41 H new ATOM 0 HD13 LEU A 41 -3.198 -0.482 -3.958 1.00 22.41 H new ATOM 0 HD21 LEU A 41 -2.974 -1.214 -0.937 1.00 50.23 H new ATOM 0 HD22 LEU A 41 -4.514 -1.328 -1.823 1.00 50.23 H new ATOM 0 HD23 LEU A 41 -3.873 -2.750 -0.966 1.00 50.23 H new ATOM 704 N ASN A 42 -4.990 -6.056 -4.869 1.00 14.04 N ATOM 705 CA ASN A 42 -6.030 -6.882 -5.535 1.00 62.02 C ATOM 706 C ASN A 42 -6.529 -8.020 -4.616 1.00 35.24 C ATOM 707 O ASN A 42 -7.694 -8.421 -4.713 1.00 40.11 O ATOM 708 CB ASN A 42 -5.500 -7.448 -6.896 1.00 1.13 C ATOM 709 CG ASN A 42 -5.773 -6.523 -8.097 1.00 53.51 C ATOM 710 OD1 ASN A 42 -6.799 -6.643 -8.764 1.00 63.12 O ATOM 711 ND2 ASN A 42 -4.878 -5.591 -8.377 1.00 74.12 N ATOM 0 H ASN A 42 -4.071 -6.118 -5.307 1.00 14.04 H new ATOM 0 HA ASN A 42 -6.883 -6.236 -5.742 1.00 62.02 H new ATOM 0 HB2 ASN A 42 -4.426 -7.618 -6.816 1.00 1.13 H new ATOM 0 HB3 ASN A 42 -5.963 -8.417 -7.082 1.00 1.13 H new ATOM 0 HD21 ASN A 42 -5.032 -4.954 -9.159 1.00 74.12 H new ATOM 0 HD22 ASN A 42 -4.033 -5.508 -7.811 1.00 74.12 H new ATOM 718 N GLU A 43 -5.649 -8.537 -3.729 1.00 51.20 N ATOM 719 CA GLU A 43 -6.012 -9.612 -2.788 1.00 64.25 C ATOM 720 C GLU A 43 -6.871 -9.061 -1.644 1.00 30.13 C ATOM 721 O GLU A 43 -7.976 -9.547 -1.410 1.00 31.30 O ATOM 722 CB GLU A 43 -4.749 -10.319 -2.222 1.00 2.35 C ATOM 723 CG GLU A 43 -3.873 -11.028 -3.280 1.00 34.40 C ATOM 724 CD GLU A 43 -4.624 -12.093 -4.104 1.00 30.32 C ATOM 725 OE1 GLU A 43 -4.664 -13.272 -3.687 1.00 10.14 O ATOM 726 OE2 GLU A 43 -5.171 -11.759 -5.187 1.00 32.55 O ATOM 0 H GLU A 43 -4.682 -8.224 -3.648 1.00 51.20 H new ATOM 0 HA GLU A 43 -6.594 -10.351 -3.339 1.00 64.25 H new ATOM 0 HB2 GLU A 43 -4.139 -9.580 -1.702 1.00 2.35 H new ATOM 0 HB3 GLU A 43 -5.063 -11.053 -1.480 1.00 2.35 H new ATOM 0 HG2 GLU A 43 -3.464 -10.280 -3.959 1.00 34.40 H new ATOM 0 HG3 GLU A 43 -3.028 -11.500 -2.780 1.00 34.40 H new ATOM 733 N ARG A 44 -6.353 -8.024 -0.960 1.00 23.03 N ATOM 734 CA ARG A 44 -7.003 -7.429 0.226 1.00 3.53 C ATOM 735 C ARG A 44 -8.328 -6.741 -0.154 1.00 63.13 C ATOM 736 O ARG A 44 -9.293 -6.806 0.607 1.00 14.15 O ATOM 737 CB ARG A 44 -6.028 -6.433 0.933 1.00 54.20 C ATOM 738 CG ARG A 44 -6.589 -5.686 2.182 1.00 61.33 C ATOM 739 CD ARG A 44 -7.200 -6.614 3.261 1.00 34.53 C ATOM 740 NE ARG A 44 -6.307 -7.724 3.633 1.00 23.40 N ATOM 741 CZ ARG A 44 -6.621 -8.736 4.462 1.00 2.43 C ATOM 742 NH1 ARG A 44 -7.812 -8.805 5.061 1.00 60.14 N ATOM 743 NH2 ARG A 44 -5.743 -9.710 4.652 1.00 21.24 N ATOM 0 H ARG A 44 -5.473 -7.574 -1.212 1.00 23.03 H new ATOM 0 HA ARG A 44 -7.242 -8.229 0.927 1.00 3.53 H new ATOM 0 HB2 ARG A 44 -5.137 -6.983 1.235 1.00 54.20 H new ATOM 0 HB3 ARG A 44 -5.711 -5.688 0.203 1.00 54.20 H new ATOM 0 HG2 ARG A 44 -5.786 -5.104 2.633 1.00 61.33 H new ATOM 0 HG3 ARG A 44 -7.351 -4.978 1.855 1.00 61.33 H new ATOM 0 HD2 ARG A 44 -7.431 -6.027 4.150 1.00 34.53 H new ATOM 0 HD3 ARG A 44 -8.142 -7.020 2.893 1.00 34.53 H new ATOM 0 HE ARG A 44 -5.371 -7.726 3.228 1.00 23.40 H new ATOM 0 HH11 ARG A 44 -8.509 -8.080 4.895 1.00 60.14 H new ATOM 0 HH12 ARG A 44 -8.025 -9.583 5.685 1.00 60.14 H new ATOM 0 HH21 ARG A 44 -4.843 -9.686 4.173 1.00 21.24 H new ATOM 0 HH22 ARG A 44 -5.967 -10.484 5.278 1.00 21.24 H new ATOM 757 N MET A 45 -8.374 -6.107 -1.343 1.00 71.52 N ATOM 758 CA MET A 45 -9.572 -5.377 -1.803 1.00 62.43 C ATOM 759 C MET A 45 -10.580 -6.289 -2.524 1.00 11.24 C ATOM 760 O MET A 45 -11.703 -5.850 -2.772 1.00 34.42 O ATOM 761 CB MET A 45 -9.202 -4.161 -2.695 1.00 42.51 C ATOM 762 CG MET A 45 -8.505 -3.001 -1.958 1.00 71.45 C ATOM 763 SD MET A 45 -8.483 -1.479 -2.931 1.00 53.11 S ATOM 764 CE MET A 45 -10.232 -1.056 -2.992 1.00 54.44 C ATOM 0 H MET A 45 -7.595 -6.086 -2.002 1.00 71.52 H new ATOM 0 HA MET A 45 -10.058 -5.003 -0.902 1.00 62.43 H new ATOM 0 HB2 MET A 45 -8.551 -4.504 -3.499 1.00 42.51 H new ATOM 0 HB3 MET A 45 -10.111 -3.781 -3.161 1.00 42.51 H new ATOM 0 HG2 MET A 45 -9.015 -2.817 -1.012 1.00 71.45 H new ATOM 0 HG3 MET A 45 -7.482 -3.290 -1.718 1.00 71.45 H new ATOM 0 HE1 MET A 45 -10.342 0.012 -3.181 1.00 54.44 H new ATOM 0 HE2 MET A 45 -10.715 -1.618 -3.792 1.00 54.44 H new ATOM 0 HE3 MET A 45 -10.700 -1.306 -2.040 1.00 54.44 H new ATOM 774 N ASP A 46 -10.199 -7.545 -2.857 1.00 40.13 N ATOM 775 CA ASP A 46 -11.125 -8.491 -3.528 1.00 41.22 C ATOM 776 C ASP A 46 -12.408 -8.742 -2.670 1.00 73.53 C ATOM 777 O ASP A 46 -13.521 -8.562 -3.201 1.00 11.03 O ATOM 778 CB ASP A 46 -10.426 -9.828 -3.928 1.00 44.35 C ATOM 779 CG ASP A 46 -11.381 -10.826 -4.619 1.00 24.43 C ATOM 780 OD1 ASP A 46 -11.580 -10.720 -5.846 1.00 14.54 O ATOM 781 OD2 ASP A 46 -11.940 -11.714 -3.941 1.00 12.44 O ATOM 0 H ASP A 46 -9.270 -7.924 -2.675 1.00 40.13 H new ATOM 0 HA ASP A 46 -11.439 -8.017 -4.458 1.00 41.22 H new ATOM 0 HB2 ASP A 46 -9.592 -9.610 -4.596 1.00 44.35 H new ATOM 0 HB3 ASP A 46 -10.007 -10.293 -3.036 1.00 44.35 H new ATOM 786 N PRO A 47 -12.305 -9.146 -1.339 1.00 42.24 N ATOM 787 CA PRO A 47 -13.496 -9.271 -0.464 1.00 51.02 C ATOM 788 C PRO A 47 -14.222 -7.925 -0.286 1.00 21.23 C ATOM 789 O PRO A 47 -15.437 -7.904 -0.170 1.00 12.22 O ATOM 790 CB PRO A 47 -12.921 -9.797 0.885 1.00 75.21 C ATOM 791 CG PRO A 47 -11.468 -9.426 0.853 1.00 42.14 C ATOM 792 CD PRO A 47 -11.062 -9.529 -0.593 1.00 51.11 C ATOM 0 HA PRO A 47 -14.249 -9.938 -0.885 1.00 51.02 H new ATOM 0 HB2 PRO A 47 -13.427 -9.340 1.736 1.00 75.21 H new ATOM 0 HB3 PRO A 47 -13.052 -10.875 0.977 1.00 75.21 H new ATOM 0 HG2 PRO A 47 -11.311 -8.417 1.234 1.00 42.14 H new ATOM 0 HG3 PRO A 47 -10.877 -10.097 1.476 1.00 42.14 H new ATOM 0 HD2 PRO A 47 -10.233 -8.860 -0.825 1.00 51.11 H new ATOM 0 HD3 PRO A 47 -10.737 -10.538 -0.847 1.00 51.11 H new ATOM 800 N ILE A 48 -13.457 -6.815 -0.357 1.00 42.32 N ATOM 801 CA ILE A 48 -13.952 -5.453 -0.067 1.00 41.23 C ATOM 802 C ILE A 48 -14.923 -4.975 -1.171 1.00 1.34 C ATOM 803 O ILE A 48 -15.901 -4.261 -0.889 1.00 12.24 O ATOM 804 CB ILE A 48 -12.748 -4.441 0.078 1.00 71.11 C ATOM 805 CG1 ILE A 48 -11.745 -4.916 1.185 1.00 24.23 C ATOM 806 CG2 ILE A 48 -13.226 -2.995 0.333 1.00 64.11 C ATOM 807 CD1 ILE A 48 -12.308 -5.062 2.586 1.00 32.24 C ATOM 0 H ILE A 48 -12.472 -6.839 -0.619 1.00 42.32 H new ATOM 0 HA ILE A 48 -14.494 -5.486 0.878 1.00 41.23 H new ATOM 0 HB ILE A 48 -12.220 -4.432 -0.875 1.00 71.11 H new ATOM 0 HG12 ILE A 48 -11.331 -5.877 0.881 1.00 24.23 H new ATOM 0 HG13 ILE A 48 -10.916 -4.209 1.222 1.00 24.23 H new ATOM 0 HG21 ILE A 48 -12.362 -2.337 0.426 1.00 64.11 H new ATOM 0 HG22 ILE A 48 -13.846 -2.665 -0.500 1.00 64.11 H new ATOM 0 HG23 ILE A 48 -13.808 -2.961 1.254 1.00 64.11 H new ATOM 0 HD11 ILE A 48 -11.520 -5.396 3.262 1.00 32.24 H new ATOM 0 HD12 ILE A 48 -12.694 -4.101 2.925 1.00 32.24 H new ATOM 0 HD13 ILE A 48 -13.115 -5.795 2.579 1.00 32.24 H new ATOM 819 N LYS A 49 -14.659 -5.399 -2.428 1.00 11.10 N ATOM 820 CA LYS A 49 -15.515 -5.059 -3.576 1.00 14.53 C ATOM 821 C LYS A 49 -16.846 -5.820 -3.472 1.00 72.43 C ATOM 822 O LYS A 49 -17.903 -5.283 -3.783 1.00 75.02 O ATOM 823 CB LYS A 49 -14.834 -5.389 -4.928 1.00 1.12 C ATOM 824 CG LYS A 49 -13.440 -4.764 -5.154 1.00 63.11 C ATOM 825 CD LYS A 49 -12.818 -5.167 -6.514 1.00 31.33 C ATOM 826 CE LYS A 49 -12.643 -6.693 -6.664 1.00 23.42 C ATOM 827 NZ LYS A 49 -12.081 -7.064 -7.988 1.00 30.22 N ATOM 0 H LYS A 49 -13.855 -5.979 -2.668 1.00 11.10 H new ATOM 0 HA LYS A 49 -15.692 -3.984 -3.547 1.00 14.53 H new ATOM 0 HB2 LYS A 49 -14.743 -6.472 -5.011 1.00 1.12 H new ATOM 0 HB3 LYS A 49 -15.492 -5.062 -5.733 1.00 1.12 H new ATOM 0 HG2 LYS A 49 -13.521 -3.678 -5.103 1.00 63.11 H new ATOM 0 HG3 LYS A 49 -12.773 -5.072 -4.349 1.00 63.11 H new ATOM 0 HD2 LYS A 49 -13.451 -4.798 -7.321 1.00 31.33 H new ATOM 0 HD3 LYS A 49 -11.848 -4.682 -6.622 1.00 31.33 H new ATOM 0 HE2 LYS A 49 -11.986 -7.061 -5.876 1.00 23.42 H new ATOM 0 HE3 LYS A 49 -13.607 -7.183 -6.530 1.00 23.42 H new ATOM 0 HZ1 LYS A 49 -11.980 -8.098 -8.045 1.00 30.22 H new ATOM 0 HZ2 LYS A 49 -12.720 -6.736 -8.740 1.00 30.22 H new ATOM 0 HZ3 LYS A 49 -11.149 -6.618 -8.107 1.00 30.22 H new ATOM 841 N LYS A 50 -16.769 -7.086 -3.025 1.00 62.34 N ATOM 842 CA LYS A 50 -17.955 -7.937 -2.825 1.00 34.32 C ATOM 843 C LYS A 50 -18.732 -7.489 -1.564 1.00 43.10 C ATOM 844 O LYS A 50 -19.953 -7.672 -1.485 1.00 0.22 O ATOM 845 CB LYS A 50 -17.505 -9.426 -2.775 1.00 30.51 C ATOM 846 CG LYS A 50 -18.642 -10.497 -2.762 1.00 73.52 C ATOM 847 CD LYS A 50 -19.164 -10.864 -1.343 1.00 42.14 C ATOM 848 CE LYS A 50 -18.058 -11.422 -0.431 1.00 71.42 C ATOM 849 NZ LYS A 50 -18.565 -11.793 0.910 1.00 22.52 N ATOM 0 H LYS A 50 -15.888 -7.546 -2.793 1.00 62.34 H new ATOM 0 HA LYS A 50 -18.649 -7.832 -3.659 1.00 34.32 H new ATOM 0 HB2 LYS A 50 -16.865 -9.618 -3.636 1.00 30.51 H new ATOM 0 HB3 LYS A 50 -16.892 -9.568 -1.885 1.00 30.51 H new ATOM 0 HG2 LYS A 50 -19.477 -10.130 -3.359 1.00 73.52 H new ATOM 0 HG3 LYS A 50 -18.277 -11.402 -3.247 1.00 73.52 H new ATOM 0 HD2 LYS A 50 -19.599 -9.978 -0.880 1.00 42.14 H new ATOM 0 HD3 LYS A 50 -19.962 -11.601 -1.433 1.00 42.14 H new ATOM 0 HE2 LYS A 50 -17.610 -12.297 -0.902 1.00 71.42 H new ATOM 0 HE3 LYS A 50 -17.269 -10.678 -0.325 1.00 71.42 H new ATOM 0 HZ1 LYS A 50 -17.783 -12.163 1.487 1.00 22.52 H new ATOM 0 HZ2 LYS A 50 -18.969 -10.954 1.373 1.00 22.52 H new ATOM 0 HZ3 LYS A 50 -19.300 -12.523 0.814 1.00 22.52 H new ATOM 863 N LEU A 51 -18.016 -6.861 -0.604 1.00 63.03 N ATOM 864 CA LEU A 51 -18.647 -6.205 0.564 1.00 41.24 C ATOM 865 C LEU A 51 -19.373 -4.935 0.085 1.00 13.24 C ATOM 866 O LEU A 51 -20.349 -4.506 0.703 1.00 52.35 O ATOM 867 CB LEU A 51 -17.597 -5.852 1.661 1.00 4.23 C ATOM 868 CG LEU A 51 -16.971 -7.059 2.432 1.00 55.33 C ATOM 869 CD1 LEU A 51 -15.837 -6.604 3.374 1.00 33.30 C ATOM 870 CD2 LEU A 51 -18.053 -7.853 3.196 1.00 51.22 C ATOM 0 H LEU A 51 -16.998 -6.795 -0.615 1.00 63.03 H new ATOM 0 HA LEU A 51 -19.360 -6.896 1.014 1.00 41.24 H new ATOM 0 HB2 LEU A 51 -16.790 -5.288 1.193 1.00 4.23 H new ATOM 0 HB3 LEU A 51 -18.069 -5.190 2.387 1.00 4.23 H new ATOM 0 HG LEU A 51 -16.529 -7.727 1.693 1.00 55.33 H new ATOM 0 HD11 LEU A 51 -15.426 -7.470 3.893 1.00 33.30 H new ATOM 0 HD12 LEU A 51 -15.051 -6.123 2.792 1.00 33.30 H new ATOM 0 HD13 LEU A 51 -16.232 -5.897 4.104 1.00 33.30 H new ATOM 0 HD21 LEU A 51 -17.589 -8.687 3.723 1.00 51.22 H new ATOM 0 HD22 LEU A 51 -18.545 -7.198 3.915 1.00 51.22 H new ATOM 0 HD23 LEU A 51 -18.790 -8.236 2.490 1.00 51.22 H new ATOM 882 N GLY A 52 -18.859 -4.356 -1.024 1.00 14.50 N ATOM 883 CA GLY A 52 -19.490 -3.241 -1.719 1.00 24.30 C ATOM 884 C GLY A 52 -19.447 -1.960 -0.932 1.00 70.32 C ATOM 885 O GLY A 52 -20.412 -1.181 -0.938 1.00 2.44 O ATOM 0 H GLY A 52 -17.987 -4.662 -1.455 1.00 14.50 H new ATOM 0 HA2 GLY A 52 -18.994 -3.089 -2.677 1.00 24.30 H new ATOM 0 HA3 GLY A 52 -20.528 -3.494 -1.934 1.00 24.30 H new ATOM 889 N CYS A 53 -18.318 -1.757 -0.241 1.00 51.21 N ATOM 890 CA CYS A 53 -18.071 -0.554 0.545 1.00 1.21 C ATOM 891 C CYS A 53 -17.850 0.641 -0.386 1.00 32.41 C ATOM 892 O CYS A 53 -16.854 0.687 -1.125 1.00 23.24 O ATOM 893 CB CYS A 53 -16.890 -0.788 1.490 1.00 51.21 C ATOM 894 SG CYS A 53 -17.248 -2.118 2.676 1.00 34.43 S ATOM 0 H CYS A 53 -17.551 -2.429 -0.215 1.00 51.21 H new ATOM 0 HA CYS A 53 -18.940 -0.324 1.162 1.00 1.21 H new ATOM 0 HB2 CYS A 53 -16.003 -1.043 0.911 1.00 51.21 H new ATOM 0 HB3 CYS A 53 -16.665 0.132 2.029 1.00 51.21 H new ATOM 899 N LYS A 54 -18.832 1.564 -0.360 1.00 0.53 N ATOM 900 CA LYS A 54 -18.912 2.715 -1.261 1.00 60.22 C ATOM 901 C LYS A 54 -17.650 3.581 -1.139 1.00 11.22 C ATOM 902 O LYS A 54 -16.976 3.816 -2.122 1.00 52.25 O ATOM 903 CB LYS A 54 -20.198 3.529 -0.955 1.00 73.54 C ATOM 904 CG LYS A 54 -20.484 4.705 -1.925 1.00 1.43 C ATOM 905 CD LYS A 54 -21.856 5.378 -1.651 1.00 55.12 C ATOM 906 CE LYS A 54 -22.160 6.537 -2.614 1.00 25.34 C ATOM 907 NZ LYS A 54 -23.522 7.090 -2.406 1.00 75.54 N ATOM 0 H LYS A 54 -19.605 1.523 0.305 1.00 0.53 H new ATOM 0 HA LYS A 54 -18.968 2.366 -2.292 1.00 60.22 H new ATOM 0 HB2 LYS A 54 -21.051 2.850 -0.972 1.00 73.54 H new ATOM 0 HB3 LYS A 54 -20.125 3.925 0.058 1.00 73.54 H new ATOM 0 HG2 LYS A 54 -19.693 5.449 -1.833 1.00 1.43 H new ATOM 0 HG3 LYS A 54 -20.460 4.340 -2.952 1.00 1.43 H new ATOM 0 HD2 LYS A 54 -22.644 4.629 -1.732 1.00 55.12 H new ATOM 0 HD3 LYS A 54 -21.874 5.750 -0.627 1.00 55.12 H new ATOM 0 HE2 LYS A 54 -21.423 7.327 -2.474 1.00 25.34 H new ATOM 0 HE3 LYS A 54 -22.063 6.189 -3.642 1.00 25.34 H new ATOM 0 HZ1 LYS A 54 -23.686 7.869 -3.075 1.00 75.54 H new ATOM 0 HZ2 LYS A 54 -24.228 6.343 -2.564 1.00 75.54 H new ATOM 0 HZ3 LYS A 54 -23.607 7.446 -1.433 1.00 75.54 H new ATOM 921 N ARG A 55 -17.337 4.012 0.091 1.00 1.22 N ATOM 922 CA ARG A 55 -16.077 4.711 0.419 1.00 5.44 C ATOM 923 C ARG A 55 -15.190 3.764 1.244 1.00 31.03 C ATOM 924 O ARG A 55 -15.683 3.075 2.146 1.00 64.14 O ATOM 925 CB ARG A 55 -16.371 6.022 1.208 1.00 13.24 C ATOM 926 CG ARG A 55 -15.115 6.781 1.739 1.00 12.14 C ATOM 927 CD ARG A 55 -15.478 8.041 2.545 1.00 14.41 C ATOM 928 NE ARG A 55 -14.310 8.679 3.200 1.00 31.34 N ATOM 929 CZ ARG A 55 -14.386 9.692 4.092 1.00 45.32 C ATOM 930 NH1 ARG A 55 -15.559 10.199 4.460 1.00 2.44 N ATOM 931 NH2 ARG A 55 -13.283 10.196 4.611 1.00 15.22 N ATOM 0 H ARG A 55 -17.952 3.887 0.895 1.00 1.22 H new ATOM 0 HA ARG A 55 -15.558 4.988 -0.499 1.00 5.44 H new ATOM 0 HB2 ARG A 55 -16.935 6.695 0.563 1.00 13.24 H new ATOM 0 HB3 ARG A 55 -17.013 5.780 2.055 1.00 13.24 H new ATOM 0 HG2 ARG A 55 -14.529 6.110 2.367 1.00 12.14 H new ATOM 0 HG3 ARG A 55 -14.483 7.063 0.897 1.00 12.14 H new ATOM 0 HD2 ARG A 55 -15.952 8.764 1.881 1.00 14.41 H new ATOM 0 HD3 ARG A 55 -16.213 7.777 3.306 1.00 14.41 H new ATOM 0 HE ARG A 55 -13.383 8.328 2.960 1.00 31.34 H new ATOM 0 HH11 ARG A 55 -16.422 9.824 4.068 1.00 2.44 H new ATOM 0 HH12 ARG A 55 -15.595 10.963 5.134 1.00 2.44 H new ATOM 0 HH21 ARG A 55 -12.374 9.821 4.339 1.00 15.22 H new ATOM 0 HH22 ARG A 55 -13.339 10.960 5.284 1.00 15.22 H new ATOM 945 N VAL A 56 -13.895 3.714 0.914 1.00 5.13 N ATOM 946 CA VAL A 56 -12.893 2.926 1.659 1.00 72.33 C ATOM 947 C VAL A 56 -11.739 3.843 2.101 1.00 73.11 C ATOM 948 O VAL A 56 -11.343 4.747 1.358 1.00 41.54 O ATOM 949 CB VAL A 56 -12.334 1.715 0.807 1.00 44.11 C ATOM 950 CG1 VAL A 56 -13.449 0.683 0.512 1.00 20.24 C ATOM 951 CG2 VAL A 56 -11.652 2.188 -0.506 1.00 20.43 C ATOM 0 H VAL A 56 -13.505 4.220 0.119 1.00 5.13 H new ATOM 0 HA VAL A 56 -13.385 2.503 2.535 1.00 72.33 H new ATOM 0 HB VAL A 56 -11.567 1.228 1.409 1.00 44.11 H new ATOM 0 HG11 VAL A 56 -13.038 -0.139 -0.075 1.00 20.24 H new ATOM 0 HG12 VAL A 56 -13.844 0.296 1.451 1.00 20.24 H new ATOM 0 HG13 VAL A 56 -14.251 1.164 -0.049 1.00 20.24 H new ATOM 0 HG21 VAL A 56 -11.284 1.323 -1.057 1.00 20.43 H new ATOM 0 HG22 VAL A 56 -12.375 2.727 -1.118 1.00 20.43 H new ATOM 0 HG23 VAL A 56 -10.817 2.847 -0.266 1.00 20.43 H new ATOM 961 N ARG A 57 -11.250 3.635 3.333 1.00 30.32 N ATOM 962 CA ARG A 57 -10.039 4.297 3.843 1.00 31.25 C ATOM 963 C ARG A 57 -8.922 3.257 3.946 1.00 54.03 C ATOM 964 O ARG A 57 -8.958 2.404 4.830 1.00 33.55 O ATOM 965 CB ARG A 57 -10.293 4.955 5.228 1.00 23.33 C ATOM 966 CG ARG A 57 -9.032 5.627 5.839 1.00 13.14 C ATOM 967 CD ARG A 57 -9.300 6.374 7.150 1.00 71.24 C ATOM 968 NE ARG A 57 -8.051 6.918 7.727 1.00 15.53 N ATOM 969 CZ ARG A 57 -7.959 8.028 8.476 1.00 61.24 C ATOM 970 NH1 ARG A 57 -9.037 8.759 8.760 1.00 3.53 N ATOM 971 NH2 ARG A 57 -6.772 8.411 8.930 1.00 20.42 N ATOM 0 H ARG A 57 -11.684 3.002 4.005 1.00 30.32 H new ATOM 0 HA ARG A 57 -9.751 5.092 3.155 1.00 31.25 H new ATOM 0 HB2 ARG A 57 -11.080 5.703 5.127 1.00 23.33 H new ATOM 0 HB3 ARG A 57 -10.661 4.197 5.919 1.00 23.33 H new ATOM 0 HG2 ARG A 57 -8.275 4.863 6.016 1.00 13.14 H new ATOM 0 HG3 ARG A 57 -8.617 6.325 5.113 1.00 13.14 H new ATOM 0 HD2 ARG A 57 -10.004 7.187 6.970 1.00 71.24 H new ATOM 0 HD3 ARG A 57 -9.769 5.699 7.866 1.00 71.24 H new ATOM 0 HE ARG A 57 -7.188 6.407 7.540 1.00 15.53 H new ATOM 0 HH11 ARG A 57 -9.952 8.478 8.406 1.00 3.53 H new ATOM 0 HH12 ARG A 57 -8.947 9.600 9.331 1.00 3.53 H new ATOM 0 HH21 ARG A 57 -5.940 7.863 8.709 1.00 20.42 H new ATOM 0 HH22 ARG A 57 -6.691 9.253 9.500 1.00 20.42 H new ATOM 985 N ILE A 58 -7.946 3.333 3.033 1.00 11.35 N ATOM 986 CA ILE A 58 -6.802 2.407 2.985 1.00 14.22 C ATOM 987 C ILE A 58 -5.573 3.121 3.583 1.00 4.14 C ATOM 988 O ILE A 58 -5.006 4.010 2.956 1.00 72.33 O ATOM 989 CB ILE A 58 -6.497 1.961 1.504 1.00 11.41 C ATOM 990 CG1 ILE A 58 -7.794 1.449 0.797 1.00 70.13 C ATOM 991 CG2 ILE A 58 -5.378 0.887 1.474 1.00 40.43 C ATOM 992 CD1 ILE A 58 -7.623 1.059 -0.664 1.00 14.32 C ATOM 0 H ILE A 58 -7.925 4.043 2.301 1.00 11.35 H new ATOM 0 HA ILE A 58 -7.038 1.511 3.560 1.00 14.22 H new ATOM 0 HB ILE A 58 -6.141 2.831 0.952 1.00 11.41 H new ATOM 0 HG12 ILE A 58 -8.171 0.586 1.345 1.00 70.13 H new ATOM 0 HG13 ILE A 58 -8.556 2.226 0.863 1.00 70.13 H new ATOM 0 HG21 ILE A 58 -5.183 0.593 0.443 1.00 40.43 H new ATOM 0 HG22 ILE A 58 -4.468 1.297 1.912 1.00 40.43 H new ATOM 0 HG23 ILE A 58 -5.695 0.015 2.046 1.00 40.43 H new ATOM 0 HD11 ILE A 58 -8.578 0.718 -1.064 1.00 14.32 H new ATOM 0 HD12 ILE A 58 -7.279 1.923 -1.233 1.00 14.32 H new ATOM 0 HD13 ILE A 58 -6.889 0.257 -0.743 1.00 14.32 H new ATOM 1004 N SER A 59 -5.183 2.738 4.798 1.00 63.23 N ATOM 1005 CA SER A 59 -4.064 3.356 5.523 1.00 3.05 C ATOM 1006 C SER A 59 -2.906 2.344 5.560 1.00 22.12 C ATOM 1007 O SER A 59 -2.937 1.379 6.324 1.00 35.01 O ATOM 1008 CB SER A 59 -4.540 3.744 6.949 1.00 55.52 C ATOM 1009 OG SER A 59 -5.721 4.536 6.892 1.00 54.15 O ATOM 0 H SER A 59 -5.636 1.984 5.315 1.00 63.23 H new ATOM 0 HA SER A 59 -3.718 4.265 5.030 1.00 3.05 H new ATOM 0 HB2 SER A 59 -4.730 2.842 7.531 1.00 55.52 H new ATOM 0 HB3 SER A 59 -3.752 4.295 7.462 1.00 55.52 H new ATOM 0 HG SER A 59 -6.004 4.767 7.801 1.00 54.15 H new ATOM 1015 N ILE A 60 -1.903 2.563 4.697 1.00 74.42 N ATOM 1016 CA ILE A 60 -0.776 1.634 4.508 1.00 42.32 C ATOM 1017 C ILE A 60 0.447 2.130 5.293 1.00 64.14 C ATOM 1018 O ILE A 60 1.007 3.182 4.980 1.00 4.42 O ATOM 1019 CB ILE A 60 -0.433 1.477 2.979 1.00 31.34 C ATOM 1020 CG1 ILE A 60 -1.654 0.862 2.216 1.00 43.25 C ATOM 1021 CG2 ILE A 60 0.856 0.641 2.763 1.00 2.31 C ATOM 1022 CD1 ILE A 60 -1.461 0.682 0.716 1.00 21.32 C ATOM 0 H ILE A 60 -1.849 3.393 4.107 1.00 74.42 H new ATOM 0 HA ILE A 60 -1.062 0.653 4.888 1.00 42.32 H new ATOM 0 HB ILE A 60 -0.234 2.467 2.569 1.00 31.34 H new ATOM 0 HG12 ILE A 60 -1.884 -0.109 2.655 1.00 43.25 H new ATOM 0 HG13 ILE A 60 -2.522 1.500 2.380 1.00 43.25 H new ATOM 0 HG21 ILE A 60 1.059 0.555 1.696 1.00 2.31 H new ATOM 0 HG22 ILE A 60 1.696 1.133 3.254 1.00 2.31 H new ATOM 0 HG23 ILE A 60 0.720 -0.354 3.188 1.00 2.31 H new ATOM 0 HD11 ILE A 60 -2.363 0.250 0.282 1.00 21.32 H new ATOM 0 HD12 ILE A 60 -1.265 1.650 0.256 1.00 21.32 H new ATOM 0 HD13 ILE A 60 -0.617 0.017 0.535 1.00 21.32 H new ATOM 1034 N ARG A 61 0.840 1.357 6.315 1.00 50.43 N ATOM 1035 CA ARG A 61 1.970 1.669 7.194 1.00 14.01 C ATOM 1036 C ARG A 61 3.177 0.859 6.707 1.00 72.02 C ATOM 1037 O ARG A 61 3.096 -0.370 6.620 1.00 61.53 O ATOM 1038 CB ARG A 61 1.605 1.303 8.667 1.00 12.45 C ATOM 1039 CG ARG A 61 0.236 1.851 9.125 1.00 10.20 C ATOM 1040 CD ARG A 61 -0.037 1.652 10.624 1.00 33.34 C ATOM 1041 NE ARG A 61 -0.108 0.227 11.019 1.00 14.13 N ATOM 1042 CZ ARG A 61 -0.488 -0.212 12.235 1.00 34.22 C ATOM 1043 NH1 ARG A 61 -0.830 0.642 13.195 1.00 63.41 N ATOM 1044 NH2 ARG A 61 -0.514 -1.514 12.487 1.00 73.43 N ATOM 0 H ARG A 61 0.372 0.483 6.556 1.00 50.43 H new ATOM 0 HA ARG A 61 2.207 2.732 7.166 1.00 14.01 H new ATOM 0 HB2 ARG A 61 1.605 0.218 8.773 1.00 12.45 H new ATOM 0 HB3 ARG A 61 2.380 1.688 9.330 1.00 12.45 H new ATOM 0 HG2 ARG A 61 0.184 2.915 8.893 1.00 10.20 H new ATOM 0 HG3 ARG A 61 -0.552 1.361 8.553 1.00 10.20 H new ATOM 0 HD2 ARG A 61 0.749 2.143 11.198 1.00 33.34 H new ATOM 0 HD3 ARG A 61 -0.975 2.142 10.884 1.00 33.34 H new ATOM 0 HE ARG A 61 0.149 -0.472 10.322 1.00 14.13 H new ATOM 0 HH11 ARG A 61 -0.807 1.646 13.016 1.00 63.41 H new ATOM 0 HH12 ARG A 61 -1.115 0.293 14.110 1.00 63.41 H new ATOM 0 HH21 ARG A 61 -0.247 -2.179 11.761 1.00 73.43 H new ATOM 0 HH22 ARG A 61 -0.801 -1.850 13.406 1.00 73.43 H new ATOM 1058 N VAL A 62 4.282 1.544 6.378 1.00 42.51 N ATOM 1059 CA VAL A 62 5.487 0.889 5.844 1.00 35.41 C ATOM 1060 C VAL A 62 6.444 0.579 7.008 1.00 22.32 C ATOM 1061 O VAL A 62 6.714 1.447 7.854 1.00 51.30 O ATOM 1062 CB VAL A 62 6.207 1.776 4.742 1.00 55.30 C ATOM 1063 CG1 VAL A 62 6.710 3.128 5.291 1.00 61.45 C ATOM 1064 CG2 VAL A 62 7.371 1.010 4.078 1.00 42.32 C ATOM 0 H VAL A 62 4.367 2.556 6.473 1.00 42.51 H new ATOM 0 HA VAL A 62 5.190 -0.038 5.353 1.00 35.41 H new ATOM 0 HB VAL A 62 5.448 1.993 3.991 1.00 55.30 H new ATOM 0 HG11 VAL A 62 7.193 3.689 4.491 1.00 61.45 H new ATOM 0 HG12 VAL A 62 5.867 3.700 5.677 1.00 61.45 H new ATOM 0 HG13 VAL A 62 7.426 2.951 6.093 1.00 61.45 H new ATOM 0 HG21 VAL A 62 7.843 1.645 3.328 1.00 42.32 H new ATOM 0 HG22 VAL A 62 8.105 0.735 4.836 1.00 42.32 H new ATOM 0 HG23 VAL A 62 6.988 0.108 3.601 1.00 42.32 H new ATOM 1074 N LYS A 63 6.906 -0.677 7.087 1.00 52.20 N ATOM 1075 CA LYS A 63 7.873 -1.095 8.100 1.00 52.24 C ATOM 1076 C LYS A 63 9.267 -1.051 7.455 1.00 15.42 C ATOM 1077 O LYS A 63 9.526 -1.702 6.433 1.00 35.32 O ATOM 1078 CB LYS A 63 7.535 -2.512 8.649 1.00 32.23 C ATOM 1079 CG LYS A 63 7.996 -2.804 10.106 1.00 34.45 C ATOM 1080 CD LYS A 63 9.535 -2.734 10.319 1.00 54.30 C ATOM 1081 CE LYS A 63 9.937 -2.835 11.797 1.00 21.11 C ATOM 1082 NZ LYS A 63 11.378 -2.514 12.005 1.00 12.52 N ATOM 0 H LYS A 63 6.620 -1.423 6.453 1.00 52.20 H new ATOM 0 HA LYS A 63 7.841 -0.423 8.958 1.00 52.24 H new ATOM 0 HB2 LYS A 63 6.456 -2.654 8.595 1.00 32.23 H new ATOM 0 HB3 LYS A 63 7.987 -3.253 7.990 1.00 32.23 H new ATOM 0 HG2 LYS A 63 7.516 -2.091 10.776 1.00 34.45 H new ATOM 0 HG3 LYS A 63 7.646 -3.796 10.393 1.00 34.45 H new ATOM 0 HD2 LYS A 63 10.011 -3.541 9.762 1.00 54.30 H new ATOM 0 HD3 LYS A 63 9.912 -1.797 9.908 1.00 54.30 H new ATOM 0 HE2 LYS A 63 9.324 -2.153 12.387 1.00 21.11 H new ATOM 0 HE3 LYS A 63 9.733 -3.842 12.160 1.00 21.11 H new ATOM 0 HZ1 LYS A 63 11.511 -2.116 12.957 1.00 12.52 H new ATOM 0 HZ2 LYS A 63 11.944 -3.381 11.910 1.00 12.52 H new ATOM 0 HZ3 LYS A 63 11.685 -1.820 11.294 1.00 12.52 H new ATOM 1096 N HIS A 64 10.139 -0.259 8.070 1.00 55.32 N ATOM 1097 CA HIS A 64 11.520 -0.047 7.640 1.00 14.34 C ATOM 1098 C HIS A 64 12.476 -0.640 8.686 1.00 63.22 C ATOM 1099 O HIS A 64 12.318 -0.403 9.888 1.00 30.50 O ATOM 1100 CB HIS A 64 11.769 1.469 7.422 1.00 50.05 C ATOM 1101 CG HIS A 64 11.121 2.373 8.460 1.00 4.10 C ATOM 1102 ND1 HIS A 64 11.657 2.596 9.710 1.00 74.41 N ATOM 1103 CD2 HIS A 64 9.991 3.128 8.405 1.00 24.21 C ATOM 1104 CE1 HIS A 64 10.874 3.420 10.381 1.00 53.13 C ATOM 1105 NE2 HIS A 64 9.866 3.761 9.614 1.00 11.14 N ATOM 0 H HIS A 64 9.898 0.270 8.908 1.00 55.32 H new ATOM 0 HA HIS A 64 11.704 -0.553 6.692 1.00 14.34 H new ATOM 0 HB2 HIS A 64 12.844 1.651 7.421 1.00 50.05 H new ATOM 0 HB3 HIS A 64 11.398 1.747 6.435 1.00 50.05 H new ATOM 0 HD1 HIS A 64 12.523 2.188 10.062 1.00 74.41 H new ATOM 0 HD2 HIS A 64 9.318 3.213 7.565 1.00 24.21 H new ATOM 0 HE1 HIS A 64 11.036 3.758 11.394 1.00 53.13 H new ATOM 1114 N SER A 65 13.452 -1.426 8.208 1.00 45.00 N ATOM 1115 CA SER A 65 14.372 -2.192 9.062 1.00 11.34 C ATOM 1116 C SER A 65 15.619 -1.364 9.421 1.00 1.32 C ATOM 1117 O SER A 65 15.886 -1.103 10.600 1.00 2.24 O ATOM 1118 CB SER A 65 14.761 -3.494 8.326 1.00 54.10 C ATOM 1119 OG SER A 65 13.602 -4.196 7.905 1.00 21.54 O ATOM 0 H SER A 65 13.626 -1.549 7.211 1.00 45.00 H new ATOM 0 HA SER A 65 13.875 -2.438 10.000 1.00 11.34 H new ATOM 0 HB2 SER A 65 15.383 -3.258 7.463 1.00 54.10 H new ATOM 0 HB3 SER A 65 15.356 -4.126 8.985 1.00 54.10 H new ATOM 0 HG SER A 65 13.868 -5.016 7.440 1.00 21.54 H new ATOM 1125 N ASP A 66 16.363 -0.931 8.389 1.00 73.43 N ATOM 1126 CA ASP A 66 17.634 -0.203 8.574 1.00 5.01 C ATOM 1127 C ASP A 66 17.368 1.307 8.710 1.00 62.05 C ATOM 1128 O ASP A 66 16.647 1.888 7.892 1.00 53.05 O ATOM 1129 CB ASP A 66 18.602 -0.488 7.398 1.00 74.41 C ATOM 1130 CG ASP A 66 19.999 0.120 7.625 1.00 64.33 C ATOM 1131 OD1 ASP A 66 20.792 -0.468 8.388 1.00 72.15 O ATOM 1132 OD2 ASP A 66 20.298 1.196 7.076 1.00 21.23 O ATOM 0 H ASP A 66 16.106 -1.073 7.412 1.00 73.43 H new ATOM 0 HA ASP A 66 18.106 -0.554 9.492 1.00 5.01 H new ATOM 0 HB2 ASP A 66 18.696 -1.565 7.261 1.00 74.41 H new ATOM 0 HB3 ASP A 66 18.179 -0.086 6.478 1.00 74.41 H new ATOM 1137 N ALA A 67 17.983 1.922 9.739 1.00 13.14 N ATOM 1138 CA ALA A 67 17.738 3.326 10.116 1.00 24.33 C ATOM 1139 C ALA A 67 18.411 4.331 9.154 1.00 34.32 C ATOM 1140 O ALA A 67 17.951 5.470 9.030 1.00 2.12 O ATOM 1141 CB ALA A 67 18.159 3.570 11.577 1.00 31.10 C ATOM 0 H ALA A 67 18.667 1.455 10.334 1.00 13.14 H new ATOM 0 HA ALA A 67 16.666 3.502 10.030 1.00 24.33 H new ATOM 0 HB1 ALA A 67 17.972 4.611 11.841 1.00 31.10 H new ATOM 0 HB2 ALA A 67 17.583 2.920 12.235 1.00 31.10 H new ATOM 0 HB3 ALA A 67 19.221 3.352 11.691 1.00 31.10 H new ATOM 1147 N ALA A 68 19.479 3.903 8.461 1.00 61.00 N ATOM 1148 CA ALA A 68 20.193 4.749 7.483 1.00 4.02 C ATOM 1149 C ALA A 68 19.455 4.749 6.134 1.00 51.34 C ATOM 1150 O ALA A 68 19.336 5.795 5.492 1.00 23.11 O ATOM 1151 CB ALA A 68 21.643 4.254 7.329 1.00 21.31 C ATOM 0 H ALA A 68 19.872 2.967 8.560 1.00 61.00 H new ATOM 0 HA ALA A 68 20.218 5.777 7.845 1.00 4.02 H new ATOM 0 HB1 ALA A 68 22.167 4.880 6.607 1.00 21.31 H new ATOM 0 HB2 ALA A 68 22.150 4.309 8.292 1.00 21.31 H new ATOM 0 HB3 ALA A 68 21.640 3.222 6.979 1.00 21.31 H new ATOM 1157 N GLU A 69 18.943 3.564 5.729 1.00 4.33 N ATOM 1158 CA GLU A 69 18.220 3.394 4.453 1.00 11.24 C ATOM 1159 C GLU A 69 16.870 4.109 4.461 1.00 42.32 C ATOM 1160 O GLU A 69 16.592 4.886 3.547 1.00 60.02 O ATOM 1161 CB GLU A 69 18.008 1.893 4.106 1.00 62.10 C ATOM 1162 CG GLU A 69 19.296 1.120 3.787 1.00 72.52 C ATOM 1163 CD GLU A 69 20.116 1.758 2.648 1.00 43.22 C ATOM 1164 OE1 GLU A 69 19.662 1.730 1.477 1.00 24.44 O ATOM 1165 OE2 GLU A 69 21.213 2.301 2.915 1.00 50.31 O ATOM 0 H GLU A 69 19.020 2.706 6.275 1.00 4.33 H new ATOM 0 HA GLU A 69 18.849 3.847 3.687 1.00 11.24 H new ATOM 0 HB2 GLU A 69 17.507 1.408 4.944 1.00 62.10 H new ATOM 0 HB3 GLU A 69 17.337 1.823 3.250 1.00 62.10 H new ATOM 0 HG2 GLU A 69 19.912 1.066 4.684 1.00 72.52 H new ATOM 0 HG3 GLU A 69 19.040 0.096 3.514 1.00 72.52 H new ATOM 1172 N GLU A 70 16.090 3.870 5.535 1.00 51.53 N ATOM 1173 CA GLU A 70 14.643 4.207 5.627 1.00 31.43 C ATOM 1174 C GLU A 70 14.292 5.652 5.225 1.00 72.00 C ATOM 1175 O GLU A 70 13.182 5.912 4.755 1.00 34.31 O ATOM 1176 CB GLU A 70 14.142 3.958 7.062 1.00 64.33 C ATOM 1177 CG GLU A 70 14.807 4.827 8.145 1.00 30.34 C ATOM 1178 CD GLU A 70 14.197 4.608 9.534 1.00 53.32 C ATOM 1179 OE1 GLU A 70 14.368 3.503 10.096 1.00 20.32 O ATOM 1180 OE2 GLU A 70 13.527 5.520 10.061 1.00 34.54 O ATOM 0 H GLU A 70 16.449 3.429 6.382 1.00 51.53 H new ATOM 0 HA GLU A 70 14.147 3.556 4.907 1.00 31.43 H new ATOM 0 HB2 GLU A 70 13.066 4.130 7.090 1.00 64.33 H new ATOM 0 HB3 GLU A 70 14.303 2.909 7.310 1.00 64.33 H new ATOM 0 HG2 GLU A 70 15.873 4.603 8.181 1.00 30.34 H new ATOM 0 HG3 GLU A 70 14.711 5.878 7.872 1.00 30.34 H new ATOM 1187 N LYS A 71 15.240 6.566 5.446 1.00 20.10 N ATOM 1188 CA LYS A 71 15.068 7.999 5.204 1.00 22.20 C ATOM 1189 C LYS A 71 14.866 8.279 3.697 1.00 44.42 C ATOM 1190 O LYS A 71 13.930 8.978 3.312 1.00 14.30 O ATOM 1191 CB LYS A 71 16.299 8.736 5.781 1.00 10.04 C ATOM 1192 CG LYS A 71 16.233 10.277 5.728 1.00 40.44 C ATOM 1193 CD LYS A 71 17.431 10.978 6.422 1.00 44.10 C ATOM 1194 CE LYS A 71 18.788 10.796 5.694 1.00 20.12 C ATOM 1195 NZ LYS A 71 19.384 9.451 5.890 1.00 12.22 N ATOM 0 H LYS A 71 16.164 6.326 5.804 1.00 20.10 H new ATOM 0 HA LYS A 71 14.172 8.367 5.703 1.00 22.20 H new ATOM 0 HB2 LYS A 71 16.431 8.430 6.819 1.00 10.04 H new ATOM 0 HB3 LYS A 71 17.185 8.408 5.237 1.00 10.04 H new ATOM 0 HG2 LYS A 71 16.192 10.594 4.686 1.00 40.44 H new ATOM 0 HG3 LYS A 71 15.307 10.608 6.199 1.00 40.44 H new ATOM 0 HD2 LYS A 71 17.216 12.043 6.503 1.00 44.10 H new ATOM 0 HD3 LYS A 71 17.523 10.593 7.438 1.00 44.10 H new ATOM 0 HE2 LYS A 71 18.647 10.971 4.627 1.00 20.12 H new ATOM 0 HE3 LYS A 71 19.488 11.551 6.051 1.00 20.12 H new ATOM 0 HZ1 LYS A 71 20.393 9.549 6.122 1.00 12.22 H new ATOM 0 HZ2 LYS A 71 18.895 8.965 6.669 1.00 12.22 H new ATOM 0 HZ3 LYS A 71 19.282 8.895 5.017 1.00 12.22 H new ATOM 1209 N LYS A 72 15.738 7.692 2.854 1.00 64.12 N ATOM 1210 CA LYS A 72 15.601 7.747 1.381 1.00 43.12 C ATOM 1211 C LYS A 72 14.560 6.726 0.906 1.00 54.42 C ATOM 1212 O LYS A 72 13.746 7.020 0.036 1.00 62.31 O ATOM 1213 CB LYS A 72 16.961 7.439 0.697 1.00 23.50 C ATOM 1214 CG LYS A 72 16.915 7.379 -0.859 1.00 53.32 C ATOM 1215 CD LYS A 72 18.233 6.914 -1.530 1.00 43.04 C ATOM 1216 CE LYS A 72 19.371 7.954 -1.483 1.00 41.44 C ATOM 1217 NZ LYS A 72 19.942 8.150 -0.124 1.00 63.21 N ATOM 0 H LYS A 72 16.554 7.168 3.171 1.00 64.12 H new ATOM 0 HA LYS A 72 15.278 8.752 1.108 1.00 43.12 H new ATOM 0 HB2 LYS A 72 17.682 8.200 0.995 1.00 23.50 H new ATOM 0 HB3 LYS A 72 17.332 6.485 1.072 1.00 23.50 H new ATOM 0 HG2 LYS A 72 16.113 6.705 -1.159 1.00 53.32 H new ATOM 0 HG3 LYS A 72 16.659 8.368 -1.239 1.00 53.32 H new ATOM 0 HD2 LYS A 72 18.572 6.000 -1.043 1.00 43.04 H new ATOM 0 HD3 LYS A 72 18.028 6.664 -2.571 1.00 43.04 H new ATOM 0 HE2 LYS A 72 20.166 7.642 -2.160 1.00 41.44 H new ATOM 0 HE3 LYS A 72 18.995 8.909 -1.851 1.00 41.44 H new ATOM 0 HZ1 LYS A 72 20.977 8.233 -0.191 1.00 63.21 H new ATOM 0 HZ2 LYS A 72 19.552 9.018 0.295 1.00 63.21 H new ATOM 0 HZ3 LYS A 72 19.698 7.336 0.476 1.00 63.21 H new ATOM 1231 N GLU A 73 14.608 5.532 1.527 1.00 63.21 N ATOM 1232 CA GLU A 73 13.910 4.327 1.060 1.00 3.40 C ATOM 1233 C GLU A 73 12.384 4.517 1.076 1.00 14.01 C ATOM 1234 O GLU A 73 11.704 4.052 0.172 1.00 62.55 O ATOM 1235 CB GLU A 73 14.324 3.111 1.943 1.00 25.25 C ATOM 1236 CG GLU A 73 14.002 1.715 1.358 1.00 15.42 C ATOM 1237 CD GLU A 73 14.826 1.344 0.098 1.00 65.12 C ATOM 1238 OE1 GLU A 73 16.067 1.232 0.203 1.00 0.05 O ATOM 1239 OE2 GLU A 73 14.243 1.111 -0.986 1.00 12.44 O ATOM 0 H GLU A 73 15.143 5.379 2.382 1.00 63.21 H new ATOM 0 HA GLU A 73 14.200 4.138 0.027 1.00 3.40 H new ATOM 0 HB2 GLU A 73 15.397 3.168 2.128 1.00 25.25 H new ATOM 0 HB3 GLU A 73 13.829 3.202 2.910 1.00 25.25 H new ATOM 0 HG2 GLU A 73 14.178 0.963 2.127 1.00 15.42 H new ATOM 0 HG3 GLU A 73 12.942 1.674 1.109 1.00 15.42 H new ATOM 1246 N ALA A 74 11.874 5.225 2.114 1.00 32.25 N ATOM 1247 CA ALA A 74 10.434 5.498 2.284 1.00 20.14 C ATOM 1248 C ALA A 74 9.942 6.577 1.304 1.00 24.01 C ATOM 1249 O ALA A 74 8.807 6.509 0.832 1.00 30.25 O ATOM 1250 CB ALA A 74 10.134 5.906 3.733 1.00 55.25 C ATOM 0 H ALA A 74 12.454 5.621 2.854 1.00 32.25 H new ATOM 0 HA ALA A 74 9.893 4.579 2.059 1.00 20.14 H new ATOM 0 HB1 ALA A 74 9.068 6.104 3.842 1.00 55.25 H new ATOM 0 HB2 ALA A 74 10.424 5.099 4.406 1.00 55.25 H new ATOM 0 HB3 ALA A 74 10.697 6.805 3.982 1.00 55.25 H new ATOM 1256 N LYS A 75 10.795 7.589 1.041 1.00 20.43 N ATOM 1257 CA LYS A 75 10.511 8.646 0.037 1.00 60.12 C ATOM 1258 C LYS A 75 10.478 8.065 -1.388 1.00 21.22 C ATOM 1259 O LYS A 75 9.688 8.498 -2.236 1.00 21.11 O ATOM 1260 CB LYS A 75 11.577 9.769 0.115 1.00 41.53 C ATOM 1261 CG LYS A 75 11.661 10.470 1.481 1.00 31.32 C ATOM 1262 CD LYS A 75 10.372 11.242 1.863 1.00 13.04 C ATOM 1263 CE LYS A 75 10.487 11.928 3.231 1.00 63.34 C ATOM 1264 NZ LYS A 75 9.258 12.671 3.590 1.00 61.53 N ATOM 0 H LYS A 75 11.693 7.700 1.512 1.00 20.43 H new ATOM 0 HA LYS A 75 9.530 9.063 0.265 1.00 60.12 H new ATOM 0 HB2 LYS A 75 12.552 9.345 -0.123 1.00 41.53 H new ATOM 0 HB3 LYS A 75 11.359 10.514 -0.650 1.00 41.53 H new ATOM 0 HG2 LYS A 75 11.870 9.726 2.250 1.00 31.32 H new ATOM 0 HG3 LYS A 75 12.501 11.164 1.473 1.00 31.32 H new ATOM 0 HD2 LYS A 75 10.160 11.991 1.100 1.00 13.04 H new ATOM 0 HD3 LYS A 75 9.528 10.552 1.875 1.00 13.04 H new ATOM 0 HE2 LYS A 75 10.692 11.178 3.995 1.00 63.34 H new ATOM 0 HE3 LYS A 75 11.334 12.614 3.221 1.00 63.34 H new ATOM 0 HZ1 LYS A 75 9.382 13.118 4.521 1.00 61.53 H new ATOM 0 HZ2 LYS A 75 9.075 13.404 2.876 1.00 61.53 H new ATOM 0 HZ3 LYS A 75 8.453 12.014 3.626 1.00 61.53 H new ATOM 1278 N LYS A 76 11.364 7.094 -1.640 1.00 42.12 N ATOM 1279 CA LYS A 76 11.442 6.398 -2.928 1.00 43.14 C ATOM 1280 C LYS A 76 10.287 5.387 -3.035 1.00 52.43 C ATOM 1281 O LYS A 76 9.756 5.152 -4.118 1.00 35.22 O ATOM 1282 CB LYS A 76 12.812 5.697 -3.079 1.00 63.25 C ATOM 1283 CG LYS A 76 13.124 5.232 -4.515 1.00 44.23 C ATOM 1284 CD LYS A 76 14.502 4.544 -4.620 1.00 25.30 C ATOM 1285 CE LYS A 76 14.914 4.294 -6.072 1.00 15.34 C ATOM 1286 NZ LYS A 76 16.208 3.583 -6.163 1.00 50.13 N ATOM 0 H LYS A 76 12.047 6.769 -0.956 1.00 42.12 H new ATOM 0 HA LYS A 76 11.348 7.122 -3.738 1.00 43.14 H new ATOM 0 HB2 LYS A 76 13.596 6.380 -2.751 1.00 63.25 H new ATOM 0 HB3 LYS A 76 12.842 4.834 -2.414 1.00 63.25 H new ATOM 0 HG2 LYS A 76 12.349 4.541 -4.848 1.00 44.23 H new ATOM 0 HG3 LYS A 76 13.096 6.090 -5.187 1.00 44.23 H new ATOM 0 HD2 LYS A 76 15.254 5.164 -4.132 1.00 25.30 H new ATOM 0 HD3 LYS A 76 14.475 3.596 -4.083 1.00 25.30 H new ATOM 0 HE2 LYS A 76 14.142 3.709 -6.573 1.00 15.34 H new ATOM 0 HE3 LYS A 76 14.985 5.246 -6.598 1.00 15.34 H new ATOM 0 HZ1 LYS A 76 16.452 3.433 -7.163 1.00 50.13 H new ATOM 0 HZ2 LYS A 76 16.950 4.152 -5.707 1.00 50.13 H new ATOM 0 HZ3 LYS A 76 16.133 2.664 -5.683 1.00 50.13 H new ATOM 1300 N PHE A 77 9.881 4.831 -1.871 1.00 60.40 N ATOM 1301 CA PHE A 77 8.750 3.892 -1.761 1.00 71.05 C ATOM 1302 C PHE A 77 7.424 4.667 -1.859 1.00 51.34 C ATOM 1303 O PHE A 77 6.394 4.089 -2.174 1.00 41.32 O ATOM 1304 CB PHE A 77 8.831 3.088 -0.428 1.00 22.12 C ATOM 1305 CG PHE A 77 7.912 1.866 -0.352 1.00 50.04 C ATOM 1306 CD1 PHE A 77 8.115 0.777 -1.204 1.00 53.34 C ATOM 1307 CD2 PHE A 77 6.855 1.796 0.560 1.00 43.10 C ATOM 1308 CE1 PHE A 77 7.291 -0.329 -1.148 1.00 64.51 C ATOM 1309 CE2 PHE A 77 6.032 0.680 0.613 1.00 22.45 C ATOM 1310 CZ PHE A 77 6.251 -0.377 -0.243 1.00 52.44 C ATOM 0 H PHE A 77 10.334 5.025 -0.978 1.00 60.40 H new ATOM 0 HA PHE A 77 8.799 3.177 -2.582 1.00 71.05 H new ATOM 0 HB2 PHE A 77 9.860 2.760 -0.281 1.00 22.12 H new ATOM 0 HB3 PHE A 77 8.589 3.757 0.398 1.00 22.12 H new ATOM 0 HD1 PHE A 77 8.927 0.801 -1.915 1.00 53.34 H new ATOM 0 HD2 PHE A 77 6.676 2.622 1.233 1.00 43.10 H new ATOM 0 HE1 PHE A 77 7.461 -1.161 -1.816 1.00 64.51 H new ATOM 0 HE2 PHE A 77 5.221 0.640 1.325 1.00 22.45 H new ATOM 0 HZ PHE A 77 5.608 -1.244 -0.205 1.00 52.44 H new ATOM 1320 N ALA A 78 7.477 5.983 -1.562 1.00 23.43 N ATOM 1321 CA ALA A 78 6.351 6.908 -1.762 1.00 50.21 C ATOM 1322 C ALA A 78 6.047 7.038 -3.258 1.00 61.54 C ATOM 1323 O ALA A 78 4.878 7.065 -3.661 1.00 71.35 O ATOM 1324 CB ALA A 78 6.666 8.279 -1.139 1.00 1.14 C ATOM 0 H ALA A 78 8.308 6.431 -1.175 1.00 23.43 H new ATOM 0 HA ALA A 78 5.467 6.510 -1.263 1.00 50.21 H new ATOM 0 HB1 ALA A 78 5.823 8.952 -1.296 1.00 1.14 H new ATOM 0 HB2 ALA A 78 6.842 8.161 -0.070 1.00 1.14 H new ATOM 0 HB3 ALA A 78 7.556 8.697 -1.610 1.00 1.14 H new ATOM 1330 N ALA A 79 7.126 7.098 -4.068 1.00 12.22 N ATOM 1331 CA ALA A 79 7.038 7.098 -5.534 1.00 2.42 C ATOM 1332 C ALA A 79 6.467 5.762 -6.036 1.00 52.20 C ATOM 1333 O ALA A 79 5.591 5.743 -6.900 1.00 34.24 O ATOM 1334 CB ALA A 79 8.421 7.372 -6.150 1.00 43.32 C ATOM 0 H ALA A 79 8.082 7.148 -3.717 1.00 12.22 H new ATOM 0 HA ALA A 79 6.362 7.894 -5.846 1.00 2.42 H new ATOM 0 HB1 ALA A 79 8.342 7.369 -7.237 1.00 43.32 H new ATOM 0 HB2 ALA A 79 8.782 8.344 -5.815 1.00 43.32 H new ATOM 0 HB3 ALA A 79 9.120 6.597 -5.835 1.00 43.32 H new ATOM 1340 N ILE A 80 6.959 4.659 -5.434 1.00 25.21 N ATOM 1341 CA ILE A 80 6.559 3.279 -5.771 1.00 61.21 C ATOM 1342 C ILE A 80 5.066 3.049 -5.496 1.00 1.22 C ATOM 1343 O ILE A 80 4.352 2.530 -6.358 1.00 1.03 O ATOM 1344 CB ILE A 80 7.460 2.243 -4.979 1.00 22.35 C ATOM 1345 CG1 ILE A 80 8.946 2.368 -5.439 1.00 44.44 C ATOM 1346 CG2 ILE A 80 6.965 0.782 -5.091 1.00 73.12 C ATOM 1347 CD1 ILE A 80 9.155 2.265 -6.944 1.00 5.44 C ATOM 0 H ILE A 80 7.655 4.704 -4.690 1.00 25.21 H new ATOM 0 HA ILE A 80 6.715 3.124 -6.839 1.00 61.21 H new ATOM 0 HB ILE A 80 7.382 2.500 -3.923 1.00 22.35 H new ATOM 0 HG12 ILE A 80 9.340 3.325 -5.095 1.00 44.44 H new ATOM 0 HG13 ILE A 80 9.531 1.589 -4.950 1.00 44.44 H new ATOM 0 HG21 ILE A 80 7.629 0.129 -4.525 1.00 73.12 H new ATOM 0 HG22 ILE A 80 5.954 0.708 -4.689 1.00 73.12 H new ATOM 0 HG23 ILE A 80 6.962 0.478 -6.138 1.00 73.12 H new ATOM 0 HD11 ILE A 80 10.217 2.363 -7.171 1.00 5.44 H new ATOM 0 HD12 ILE A 80 8.796 1.298 -7.296 1.00 5.44 H new ATOM 0 HD13 ILE A 80 8.602 3.061 -7.443 1.00 5.44 H new ATOM 1359 N LEU A 81 4.609 3.496 -4.315 1.00 52.44 N ATOM 1360 CA LEU A 81 3.206 3.393 -3.888 1.00 52.21 C ATOM 1361 C LEU A 81 2.311 4.208 -4.827 1.00 33.04 C ATOM 1362 O LEU A 81 1.308 3.696 -5.317 1.00 54.11 O ATOM 1363 CB LEU A 81 3.049 3.884 -2.416 1.00 24.35 C ATOM 1364 CG LEU A 81 3.533 2.893 -1.306 1.00 55.23 C ATOM 1365 CD1 LEU A 81 3.697 3.606 0.050 1.00 20.11 C ATOM 1366 CD2 LEU A 81 2.574 1.686 -1.174 1.00 22.33 C ATOM 0 H LEU A 81 5.210 3.944 -3.623 1.00 52.44 H new ATOM 0 HA LEU A 81 2.899 2.348 -3.934 1.00 52.21 H new ATOM 0 HB2 LEU A 81 3.599 4.819 -2.305 1.00 24.35 H new ATOM 0 HB3 LEU A 81 1.997 4.110 -2.240 1.00 24.35 H new ATOM 0 HG LEU A 81 4.510 2.518 -1.610 1.00 55.23 H new ATOM 0 HD11 LEU A 81 4.034 2.890 0.799 1.00 20.11 H new ATOM 0 HD12 LEU A 81 4.433 4.405 -0.045 1.00 20.11 H new ATOM 0 HD13 LEU A 81 2.740 4.029 0.357 1.00 20.11 H new ATOM 0 HD21 LEU A 81 2.938 1.016 -0.395 1.00 22.33 H new ATOM 0 HD22 LEU A 81 1.577 2.040 -0.912 1.00 22.33 H new ATOM 0 HD23 LEU A 81 2.531 1.150 -2.122 1.00 22.33 H new ATOM 1378 N ASN A 82 2.738 5.458 -5.113 1.00 1.54 N ATOM 1379 CA ASN A 82 1.955 6.429 -5.914 1.00 45.03 C ATOM 1380 C ASN A 82 1.746 5.880 -7.347 1.00 41.32 C ATOM 1381 O ASN A 82 0.671 6.058 -7.932 1.00 70.00 O ATOM 1382 CB ASN A 82 2.684 7.809 -5.927 1.00 61.40 C ATOM 1383 CG ASN A 82 1.819 9.044 -6.284 1.00 73.32 C ATOM 1384 OD1 ASN A 82 2.060 10.139 -5.760 1.00 45.34 O ATOM 1385 ND2 ASN A 82 0.840 8.919 -7.173 1.00 20.34 N ATOM 0 H ASN A 82 3.636 5.824 -4.795 1.00 1.54 H new ATOM 0 HA ASN A 82 0.972 6.572 -5.465 1.00 45.03 H new ATOM 0 HB2 ASN A 82 3.123 7.973 -4.943 1.00 61.40 H new ATOM 0 HB3 ASN A 82 3.508 7.753 -6.638 1.00 61.40 H new ATOM 0 HD21 ASN A 82 0.278 9.730 -7.430 1.00 20.34 H new ATOM 0 HD22 ASN A 82 0.650 8.012 -7.599 1.00 20.34 H new ATOM 1392 N LYS A 83 2.780 5.190 -7.884 1.00 54.42 N ATOM 1393 CA LYS A 83 2.705 4.530 -9.202 1.00 73.21 C ATOM 1394 C LYS A 83 1.686 3.380 -9.188 1.00 23.44 C ATOM 1395 O LYS A 83 0.908 3.242 -10.124 1.00 43.50 O ATOM 1396 CB LYS A 83 4.101 4.010 -9.661 1.00 31.23 C ATOM 1397 CG LYS A 83 5.133 5.115 -10.004 1.00 53.14 C ATOM 1398 CD LYS A 83 4.636 6.117 -11.080 1.00 55.52 C ATOM 1399 CE LYS A 83 4.256 5.446 -12.415 1.00 13.01 C ATOM 1400 NZ LYS A 83 3.762 6.427 -13.412 1.00 73.13 N ATOM 0 H LYS A 83 3.680 5.078 -7.418 1.00 54.42 H new ATOM 0 HA LYS A 83 2.371 5.279 -9.919 1.00 73.21 H new ATOM 0 HB2 LYS A 83 4.514 3.380 -8.873 1.00 31.23 H new ATOM 0 HB3 LYS A 83 3.965 3.376 -10.537 1.00 31.23 H new ATOM 0 HG2 LYS A 83 5.381 5.664 -9.095 1.00 53.14 H new ATOM 0 HG3 LYS A 83 6.053 4.646 -10.354 1.00 53.14 H new ATOM 0 HD2 LYS A 83 3.770 6.654 -10.693 1.00 55.52 H new ATOM 0 HD3 LYS A 83 5.415 6.857 -11.263 1.00 55.52 H new ATOM 0 HE2 LYS A 83 5.124 4.926 -12.819 1.00 13.01 H new ATOM 0 HE3 LYS A 83 3.488 4.693 -12.236 1.00 13.01 H new ATOM 0 HZ1 LYS A 83 3.518 5.933 -14.294 1.00 73.13 H new ATOM 0 HZ2 LYS A 83 2.918 6.906 -13.039 1.00 73.13 H new ATOM 0 HZ3 LYS A 83 4.503 7.131 -13.603 1.00 73.13 H new ATOM 1414 N VAL A 84 1.683 2.595 -8.098 1.00 3.43 N ATOM 1415 CA VAL A 84 0.791 1.427 -7.938 1.00 41.21 C ATOM 1416 C VAL A 84 -0.679 1.866 -7.861 1.00 3.24 C ATOM 1417 O VAL A 84 -1.557 1.248 -8.478 1.00 51.31 O ATOM 1418 CB VAL A 84 1.188 0.611 -6.653 1.00 71.03 C ATOM 1419 CG1 VAL A 84 0.147 -0.480 -6.300 1.00 54.34 C ATOM 1420 CG2 VAL A 84 2.591 0.001 -6.831 1.00 61.01 C ATOM 0 H VAL A 84 2.299 2.750 -7.300 1.00 3.43 H new ATOM 0 HA VAL A 84 0.908 0.786 -8.812 1.00 41.21 H new ATOM 0 HB VAL A 84 1.204 1.305 -5.813 1.00 71.03 H new ATOM 0 HG11 VAL A 84 0.468 -1.014 -5.406 1.00 54.34 H new ATOM 0 HG12 VAL A 84 -0.821 -0.014 -6.116 1.00 54.34 H new ATOM 0 HG13 VAL A 84 0.060 -1.182 -7.130 1.00 54.34 H new ATOM 0 HG21 VAL A 84 2.859 -0.562 -5.937 1.00 61.01 H new ATOM 0 HG22 VAL A 84 2.591 -0.665 -7.694 1.00 61.01 H new ATOM 0 HG23 VAL A 84 3.317 0.798 -6.988 1.00 61.01 H new ATOM 1430 N PHE A 85 -0.918 2.943 -7.091 1.00 62.20 N ATOM 1431 CA PHE A 85 -2.242 3.562 -6.972 1.00 53.33 C ATOM 1432 C PHE A 85 -2.717 4.048 -8.354 1.00 72.31 C ATOM 1433 O PHE A 85 -3.860 3.806 -8.734 1.00 54.43 O ATOM 1434 CB PHE A 85 -2.236 4.709 -5.915 1.00 11.53 C ATOM 1435 CG PHE A 85 -1.893 4.235 -4.492 1.00 15.43 C ATOM 1436 CD1 PHE A 85 -2.510 3.104 -3.945 1.00 53.31 C ATOM 1437 CD2 PHE A 85 -0.951 4.904 -3.709 1.00 70.21 C ATOM 1438 CE1 PHE A 85 -2.188 2.662 -2.674 1.00 45.11 C ATOM 1439 CE2 PHE A 85 -0.634 4.462 -2.439 1.00 63.22 C ATOM 1440 CZ PHE A 85 -1.249 3.342 -1.922 1.00 41.44 C ATOM 0 H PHE A 85 -0.197 3.405 -6.536 1.00 62.20 H new ATOM 0 HA PHE A 85 -2.952 2.816 -6.615 1.00 53.33 H new ATOM 0 HB2 PHE A 85 -1.516 5.468 -6.219 1.00 11.53 H new ATOM 0 HB3 PHE A 85 -3.216 5.186 -5.904 1.00 11.53 H new ATOM 0 HD1 PHE A 85 -3.248 2.568 -4.523 1.00 53.31 H new ATOM 0 HD2 PHE A 85 -0.461 5.782 -4.103 1.00 70.21 H new ATOM 0 HE1 PHE A 85 -2.671 1.785 -2.269 1.00 45.11 H new ATOM 0 HE2 PHE A 85 0.097 4.995 -1.850 1.00 63.22 H new ATOM 0 HZ PHE A 85 -0.997 2.996 -0.930 1.00 41.44 H new ATOM 1450 N ALA A 86 -1.786 4.646 -9.125 1.00 11.33 N ATOM 1451 CA ALA A 86 -2.046 5.122 -10.501 1.00 40.53 C ATOM 1452 C ALA A 86 -2.369 3.954 -11.458 1.00 24.04 C ATOM 1453 O ALA A 86 -3.155 4.112 -12.402 1.00 0.12 O ATOM 1454 CB ALA A 86 -0.840 5.917 -11.016 1.00 11.30 C ATOM 0 H ALA A 86 -0.830 4.813 -8.811 1.00 11.33 H new ATOM 0 HA ALA A 86 -2.920 5.772 -10.472 1.00 40.53 H new ATOM 0 HB1 ALA A 86 -1.039 6.264 -12.030 1.00 11.30 H new ATOM 0 HB2 ALA A 86 -0.665 6.775 -10.366 1.00 11.30 H new ATOM 0 HB3 ALA A 86 0.043 5.278 -11.018 1.00 11.30 H new ATOM 1460 N GLU A 87 -1.761 2.780 -11.181 1.00 54.04 N ATOM 1461 CA GLU A 87 -1.966 1.547 -11.967 1.00 22.24 C ATOM 1462 C GLU A 87 -3.321 0.893 -11.640 1.00 41.13 C ATOM 1463 O GLU A 87 -3.823 0.078 -12.420 1.00 54.33 O ATOM 1464 CB GLU A 87 -0.812 0.533 -11.708 1.00 1.12 C ATOM 1465 CG GLU A 87 0.569 0.957 -12.252 1.00 54.24 C ATOM 1466 CD GLU A 87 0.598 1.104 -13.783 1.00 33.35 C ATOM 1467 OE1 GLU A 87 0.774 0.081 -14.480 1.00 73.05 O ATOM 1468 OE2 GLU A 87 0.444 2.238 -14.298 1.00 22.11 O ATOM 0 H GLU A 87 -1.112 2.662 -10.403 1.00 54.04 H new ATOM 0 HA GLU A 87 -1.965 1.825 -13.021 1.00 22.24 H new ATOM 0 HB2 GLU A 87 -0.727 0.370 -10.634 1.00 1.12 H new ATOM 0 HB3 GLU A 87 -1.083 -0.423 -12.155 1.00 1.12 H new ATOM 0 HG2 GLU A 87 0.856 1.905 -11.797 1.00 54.24 H new ATOM 0 HG3 GLU A 87 1.313 0.220 -11.950 1.00 54.24 H new ATOM 1475 N LEU A 88 -3.905 1.244 -10.478 1.00 22.33 N ATOM 1476 CA LEU A 88 -5.185 0.670 -9.998 1.00 44.23 C ATOM 1477 C LEU A 88 -6.324 1.717 -10.069 1.00 64.30 C ATOM 1478 O LEU A 88 -7.388 1.518 -9.480 1.00 51.10 O ATOM 1479 CB LEU A 88 -5.011 0.098 -8.564 1.00 0.32 C ATOM 1480 CG LEU A 88 -3.941 -1.040 -8.408 1.00 3.21 C ATOM 1481 CD1 LEU A 88 -3.899 -1.573 -6.967 1.00 60.43 C ATOM 1482 CD2 LEU A 88 -4.163 -2.190 -9.420 1.00 45.15 C ATOM 0 H LEU A 88 -3.505 1.934 -9.842 1.00 22.33 H new ATOM 0 HA LEU A 88 -5.469 -0.153 -10.653 1.00 44.23 H new ATOM 0 HB2 LEU A 88 -4.743 0.917 -7.897 1.00 0.32 H new ATOM 0 HB3 LEU A 88 -5.974 -0.286 -8.227 1.00 0.32 H new ATOM 0 HG LEU A 88 -2.971 -0.596 -8.632 1.00 3.21 H new ATOM 0 HD11 LEU A 88 -3.148 -2.360 -6.892 1.00 60.43 H new ATOM 0 HD12 LEU A 88 -3.643 -0.761 -6.286 1.00 60.43 H new ATOM 0 HD13 LEU A 88 -4.876 -1.977 -6.700 1.00 60.43 H new ATOM 0 HD21 LEU A 88 -3.400 -2.954 -9.275 1.00 45.15 H new ATOM 0 HD22 LEU A 88 -5.149 -2.627 -9.263 1.00 45.15 H new ATOM 0 HD23 LEU A 88 -4.097 -1.799 -10.435 1.00 45.15 H new ATOM 1494 N GLY A 89 -6.085 2.827 -10.800 1.00 61.42 N ATOM 1495 CA GLY A 89 -7.130 3.819 -11.100 1.00 2.44 C ATOM 1496 C GLY A 89 -7.399 4.813 -9.976 1.00 63.03 C ATOM 1497 O GLY A 89 -8.519 5.316 -9.838 1.00 12.44 O ATOM 0 H GLY A 89 -5.172 3.056 -11.193 1.00 61.42 H new ATOM 0 HA2 GLY A 89 -6.843 4.371 -11.995 1.00 2.44 H new ATOM 0 HA3 GLY A 89 -8.056 3.293 -11.333 1.00 2.44 H new ATOM 1501 N TYR A 90 -6.368 5.081 -9.168 1.00 14.44 N ATOM 1502 CA TYR A 90 -6.370 6.138 -8.135 1.00 40.42 C ATOM 1503 C TYR A 90 -5.394 7.241 -8.586 1.00 51.42 C ATOM 1504 O TYR A 90 -4.380 6.951 -9.222 1.00 45.40 O ATOM 1505 CB TYR A 90 -5.927 5.571 -6.750 1.00 64.45 C ATOM 1506 CG TYR A 90 -6.588 4.239 -6.323 1.00 13.23 C ATOM 1507 CD1 TYR A 90 -7.977 4.090 -6.300 1.00 61.54 C ATOM 1508 CD2 TYR A 90 -5.812 3.136 -5.935 1.00 40.34 C ATOM 1509 CE1 TYR A 90 -8.560 2.896 -5.909 1.00 23.25 C ATOM 1510 CE2 TYR A 90 -6.392 1.945 -5.547 1.00 11.41 C ATOM 1511 CZ TYR A 90 -7.764 1.831 -5.535 1.00 22.32 C ATOM 1512 OH TYR A 90 -8.343 0.643 -5.151 1.00 62.42 O ATOM 0 H TYR A 90 -5.490 4.564 -9.209 1.00 14.44 H new ATOM 0 HA TYR A 90 -7.378 6.536 -8.020 1.00 40.42 H new ATOM 0 HB2 TYR A 90 -4.846 5.429 -6.766 1.00 64.45 H new ATOM 0 HB3 TYR A 90 -6.139 6.320 -5.987 1.00 64.45 H new ATOM 0 HD1 TYR A 90 -8.606 4.918 -6.592 1.00 61.54 H new ATOM 0 HD2 TYR A 90 -4.735 3.221 -5.940 1.00 40.34 H new ATOM 0 HE1 TYR A 90 -9.635 2.798 -5.897 1.00 23.25 H new ATOM 0 HE2 TYR A 90 -5.774 1.109 -5.255 1.00 11.41 H new ATOM 0 HH TYR A 90 -8.016 0.392 -4.262 1.00 62.42 H new ATOM 1522 N ASN A 91 -5.696 8.500 -8.254 1.00 31.13 N ATOM 1523 CA ASN A 91 -4.868 9.665 -8.657 1.00 51.13 C ATOM 1524 C ASN A 91 -3.976 10.146 -7.501 1.00 23.25 C ATOM 1525 O ASN A 91 -4.118 9.697 -6.363 1.00 62.12 O ATOM 1526 CB ASN A 91 -5.781 10.806 -9.178 1.00 24.45 C ATOM 1527 CG ASN A 91 -6.501 10.466 -10.494 1.00 23.42 C ATOM 1528 OD1 ASN A 91 -5.812 9.808 -11.422 1.00 23.12 O flip ATOM 1529 ND2 ASN A 91 -7.658 10.831 -10.699 1.00 53.53 N flip ATOM 0 H ASN A 91 -6.516 8.751 -7.701 1.00 31.13 H new ATOM 0 HA ASN A 91 -4.204 9.355 -9.464 1.00 51.13 H new ATOM 0 HB2 ASN A 91 -6.525 11.041 -8.417 1.00 24.45 H new ATOM 0 HB3 ASN A 91 -5.180 11.703 -9.324 1.00 24.45 H new ATOM 0 HD21 ASN A 91 -8.170 11.335 -9.975 1.00 53.53 H new ATOM 0 HD22 ASN A 91 -8.105 10.630 -11.593 1.00 53.53 H new ATOM 1536 N ASP A 92 -3.074 11.088 -7.820 1.00 42.14 N ATOM 1537 CA ASP A 92 -2.034 11.596 -6.897 1.00 25.43 C ATOM 1538 C ASP A 92 -2.653 12.353 -5.707 1.00 70.53 C ATOM 1539 O ASP A 92 -2.150 12.273 -4.581 1.00 53.34 O ATOM 1540 CB ASP A 92 -1.074 12.545 -7.657 1.00 65.03 C ATOM 1541 CG ASP A 92 -0.475 11.917 -8.922 1.00 24.14 C ATOM 1542 OD1 ASP A 92 -1.135 11.966 -9.989 1.00 61.03 O ATOM 1543 OD2 ASP A 92 0.639 11.361 -8.857 1.00 53.33 O ATOM 0 H ASP A 92 -3.042 11.528 -8.740 1.00 42.14 H new ATOM 0 HA ASP A 92 -1.486 10.736 -6.511 1.00 25.43 H new ATOM 0 HB2 ASP A 92 -1.612 13.452 -7.930 1.00 65.03 H new ATOM 0 HB3 ASP A 92 -0.265 12.843 -6.990 1.00 65.03 H new ATOM 1548 N SER A 93 -3.742 13.091 -5.994 1.00 12.13 N ATOM 1549 CA SER A 93 -4.428 13.965 -5.021 1.00 61.52 C ATOM 1550 C SER A 93 -5.015 13.181 -3.820 1.00 42.21 C ATOM 1551 O SER A 93 -5.003 13.680 -2.685 1.00 51.30 O ATOM 1552 CB SER A 93 -5.534 14.766 -5.747 1.00 30.44 C ATOM 1553 OG SER A 93 -5.015 15.453 -6.879 1.00 3.12 O ATOM 0 H SER A 93 -4.175 13.098 -6.917 1.00 12.13 H new ATOM 0 HA SER A 93 -3.687 14.648 -4.605 1.00 61.52 H new ATOM 0 HB2 SER A 93 -6.329 14.090 -6.062 1.00 30.44 H new ATOM 0 HB3 SER A 93 -5.980 15.482 -5.057 1.00 30.44 H new ATOM 0 HG SER A 93 -5.736 15.949 -7.319 1.00 3.12 H new ATOM 1559 N ASN A 94 -5.522 11.950 -4.073 1.00 64.11 N ATOM 1560 CA ASN A 94 -6.077 11.079 -3.004 1.00 54.53 C ATOM 1561 C ASN A 94 -4.976 10.233 -2.317 1.00 43.54 C ATOM 1562 O ASN A 94 -5.270 9.438 -1.419 1.00 40.53 O ATOM 1563 CB ASN A 94 -7.208 10.160 -3.553 1.00 62.31 C ATOM 1564 CG ASN A 94 -6.753 9.181 -4.635 1.00 34.43 C ATOM 1565 OD1 ASN A 94 -6.911 9.435 -5.822 1.00 45.23 O ATOM 1566 ND2 ASN A 94 -6.180 8.057 -4.233 1.00 23.14 N ATOM 0 H ASN A 94 -5.559 11.537 -5.005 1.00 64.11 H new ATOM 0 HA ASN A 94 -6.506 11.739 -2.250 1.00 54.53 H new ATOM 0 HB2 ASN A 94 -7.635 9.595 -2.725 1.00 62.31 H new ATOM 0 HB3 ASN A 94 -8.004 10.785 -3.957 1.00 62.31 H new ATOM 0 HD21 ASN A 94 -5.857 7.375 -4.920 1.00 23.14 H new ATOM 0 HD22 ASN A 94 -6.062 7.873 -3.237 1.00 23.14 H new ATOM 1573 N VAL A 95 -3.719 10.387 -2.771 1.00 2.02 N ATOM 1574 CA VAL A 95 -2.542 9.745 -2.159 1.00 53.15 C ATOM 1575 C VAL A 95 -1.828 10.794 -1.295 1.00 54.23 C ATOM 1576 O VAL A 95 -1.211 11.718 -1.830 1.00 72.30 O ATOM 1577 CB VAL A 95 -1.565 9.173 -3.259 1.00 1.23 C ATOM 1578 CG1 VAL A 95 -0.329 8.486 -2.627 1.00 23.22 C ATOM 1579 CG2 VAL A 95 -2.313 8.209 -4.210 1.00 70.11 C ATOM 0 H VAL A 95 -3.490 10.965 -3.579 1.00 2.02 H new ATOM 0 HA VAL A 95 -2.860 8.901 -1.547 1.00 53.15 H new ATOM 0 HB VAL A 95 -1.201 10.016 -3.846 1.00 1.23 H new ATOM 0 HG11 VAL A 95 0.319 8.105 -3.416 1.00 23.22 H new ATOM 0 HG12 VAL A 95 0.220 9.209 -2.024 1.00 23.22 H new ATOM 0 HG13 VAL A 95 -0.655 7.660 -1.996 1.00 23.22 H new ATOM 0 HG21 VAL A 95 -1.620 7.827 -4.960 1.00 70.11 H new ATOM 0 HG22 VAL A 95 -2.722 7.377 -3.637 1.00 70.11 H new ATOM 0 HG23 VAL A 95 -3.125 8.743 -4.704 1.00 70.11 H new ATOM 1589 N THR A 96 -1.947 10.669 0.035 1.00 62.53 N ATOM 1590 CA THR A 96 -1.406 11.655 0.991 1.00 52.30 C ATOM 1591 C THR A 96 -0.725 10.923 2.157 1.00 22.04 C ATOM 1592 O THR A 96 -1.288 9.978 2.708 1.00 52.35 O ATOM 1593 CB THR A 96 -2.547 12.580 1.536 1.00 0.51 C ATOM 1594 OG1 THR A 96 -3.289 13.132 0.434 1.00 74.23 O ATOM 1595 CG2 THR A 96 -2.011 13.727 2.412 1.00 61.54 C ATOM 0 H THR A 96 -2.420 9.883 0.481 1.00 62.53 H new ATOM 0 HA THR A 96 -0.675 12.277 0.475 1.00 52.30 H new ATOM 0 HB THR A 96 -3.191 11.962 2.162 1.00 0.51 H new ATOM 0 HG1 THR A 96 -4.003 13.709 0.777 1.00 74.23 H new ATOM 0 HG21 THR A 96 -2.844 14.337 2.763 1.00 61.54 H new ATOM 0 HG22 THR A 96 -1.479 13.313 3.268 1.00 61.54 H new ATOM 0 HG23 THR A 96 -1.331 14.345 1.826 1.00 61.54 H new ATOM 1603 N TRP A 97 0.487 11.369 2.522 1.00 64.40 N ATOM 1604 CA TRP A 97 1.279 10.773 3.617 1.00 72.33 C ATOM 1605 C TRP A 97 0.936 11.401 4.978 1.00 0.31 C ATOM 1606 O TRP A 97 0.500 12.554 5.070 1.00 13.51 O ATOM 1607 CB TRP A 97 2.799 10.874 3.325 1.00 0.52 C ATOM 1608 CG TRP A 97 3.289 9.798 2.392 1.00 31.35 C ATOM 1609 CD1 TRP A 97 3.198 9.778 1.031 1.00 71.52 C ATOM 1610 CD2 TRP A 97 3.920 8.562 2.773 1.00 71.12 C ATOM 1611 NE1 TRP A 97 3.744 8.620 0.545 1.00 44.13 N ATOM 1612 CE2 TRP A 97 4.197 7.859 1.595 1.00 23.22 C ATOM 1613 CE3 TRP A 97 4.286 7.994 3.997 1.00 3.53 C ATOM 1614 CZ2 TRP A 97 4.812 6.611 1.599 1.00 62.31 C ATOM 1615 CZ3 TRP A 97 4.899 6.753 4.003 1.00 35.22 C ATOM 1616 CH2 TRP A 97 5.158 6.072 2.808 1.00 74.22 C ATOM 0 H TRP A 97 0.950 12.156 2.066 1.00 64.40 H new ATOM 0 HA TRP A 97 1.013 9.717 3.671 1.00 72.33 H new ATOM 0 HB2 TRP A 97 3.017 11.850 2.892 1.00 0.52 H new ATOM 0 HB3 TRP A 97 3.349 10.812 4.264 1.00 0.52 H new ATOM 0 HD1 TRP A 97 2.761 10.559 0.427 1.00 71.52 H new ATOM 0 HE1 TRP A 97 3.805 8.363 -0.440 1.00 44.13 H new ATOM 0 HE3 TRP A 97 4.093 8.515 4.923 1.00 3.53 H new ATOM 0 HZ2 TRP A 97 5.010 6.084 0.677 1.00 62.31 H new ATOM 0 HZ3 TRP A 97 5.182 6.304 4.944 1.00 35.22 H new ATOM 0 HH2 TRP A 97 5.639 5.105 2.841 1.00 74.22 H new ATOM 1627 N ASP A 98 1.145 10.589 6.014 1.00 0.13 N ATOM 1628 CA ASP A 98 0.835 10.876 7.414 1.00 61.12 C ATOM 1629 C ASP A 98 1.863 10.104 8.258 1.00 4.13 C ATOM 1630 O ASP A 98 1.607 8.979 8.718 1.00 74.11 O ATOM 1631 CB ASP A 98 -0.629 10.430 7.722 1.00 60.54 C ATOM 1632 CG ASP A 98 -1.107 10.779 9.146 1.00 21.34 C ATOM 1633 OD1 ASP A 98 -1.317 11.980 9.427 1.00 50.33 O ATOM 1634 OD2 ASP A 98 -1.305 9.861 9.975 1.00 42.11 O ATOM 0 H ASP A 98 1.557 9.664 5.892 1.00 0.13 H new ATOM 0 HA ASP A 98 0.897 11.940 7.642 1.00 61.12 H new ATOM 0 HB2 ASP A 98 -1.299 10.897 7.001 1.00 60.54 H new ATOM 0 HB3 ASP A 98 -0.707 9.352 7.578 1.00 60.54 H new ATOM 1639 N GLY A 99 3.073 10.679 8.350 1.00 13.32 N ATOM 1640 CA GLY A 99 4.212 10.033 8.994 1.00 33.43 C ATOM 1641 C GLY A 99 4.782 8.890 8.149 1.00 73.23 C ATOM 1642 O GLY A 99 5.246 9.121 7.024 1.00 20.12 O ATOM 0 H GLY A 99 3.282 11.605 7.978 1.00 13.32 H new ATOM 0 HA2 GLY A 99 4.992 10.772 9.176 1.00 33.43 H new ATOM 0 HA3 GLY A 99 3.906 9.647 9.966 1.00 33.43 H new ATOM 1646 N ASP A 100 4.724 7.655 8.694 1.00 72.24 N ATOM 1647 CA ASP A 100 5.147 6.415 7.983 1.00 13.42 C ATOM 1648 C ASP A 100 3.932 5.694 7.363 1.00 72.42 C ATOM 1649 O ASP A 100 4.051 4.559 6.893 1.00 23.22 O ATOM 1650 CB ASP A 100 5.903 5.455 8.955 1.00 33.32 C ATOM 1651 CG ASP A 100 7.190 6.072 9.524 1.00 20.25 C ATOM 1652 OD1 ASP A 100 8.215 6.089 8.808 1.00 73.02 O ATOM 1653 OD2 ASP A 100 7.180 6.553 10.680 1.00 42.22 O ATOM 0 H ASP A 100 4.383 7.483 9.640 1.00 72.24 H new ATOM 0 HA ASP A 100 5.824 6.704 7.179 1.00 13.42 H new ATOM 0 HB2 ASP A 100 5.241 5.184 9.778 1.00 33.32 H new ATOM 0 HB3 ASP A 100 6.150 4.533 8.428 1.00 33.32 H new ATOM 1658 N THR A 101 2.776 6.372 7.346 1.00 2.32 N ATOM 1659 CA THR A 101 1.515 5.823 6.818 1.00 42.55 C ATOM 1660 C THR A 101 1.015 6.686 5.653 1.00 22.01 C ATOM 1661 O THR A 101 0.853 7.887 5.817 1.00 50.24 O ATOM 1662 CB THR A 101 0.422 5.797 7.941 1.00 2.13 C ATOM 1663 OG1 THR A 101 0.903 5.047 9.073 1.00 34.20 O ATOM 1664 CG2 THR A 101 -0.912 5.194 7.451 1.00 4.32 C ATOM 0 H THR A 101 2.687 7.324 7.701 1.00 2.32 H new ATOM 0 HA THR A 101 1.700 4.807 6.469 1.00 42.55 H new ATOM 0 HB THR A 101 0.229 6.831 8.228 1.00 2.13 H new ATOM 0 HG1 THR A 101 0.217 5.035 9.773 1.00 34.20 H new ATOM 0 HG21 THR A 101 -1.635 5.199 8.267 1.00 4.32 H new ATOM 0 HG22 THR A 101 -1.297 5.787 6.621 1.00 4.32 H new ATOM 0 HG23 THR A 101 -0.748 4.169 7.118 1.00 4.32 H new ATOM 1672 N VAL A 102 0.756 6.077 4.488 1.00 34.24 N ATOM 1673 CA VAL A 102 0.092 6.765 3.374 1.00 54.11 C ATOM 1674 C VAL A 102 -1.415 6.432 3.442 1.00 21.13 C ATOM 1675 O VAL A 102 -1.816 5.262 3.385 1.00 33.34 O ATOM 1676 CB VAL A 102 0.719 6.397 1.968 1.00 1.31 C ATOM 1677 CG1 VAL A 102 0.628 4.886 1.643 1.00 63.23 C ATOM 1678 CG2 VAL A 102 0.099 7.263 0.845 1.00 65.11 C ATOM 0 H VAL A 102 0.998 5.105 4.293 1.00 34.24 H new ATOM 0 HA VAL A 102 0.241 7.840 3.474 1.00 54.11 H new ATOM 0 HB VAL A 102 1.783 6.626 2.027 1.00 1.31 H new ATOM 0 HG11 VAL A 102 1.074 4.696 0.667 1.00 63.23 H new ATOM 0 HG12 VAL A 102 1.163 4.317 2.403 1.00 63.23 H new ATOM 0 HG13 VAL A 102 -0.418 4.579 1.630 1.00 63.23 H new ATOM 0 HG21 VAL A 102 0.545 6.992 -0.112 1.00 65.11 H new ATOM 0 HG22 VAL A 102 -0.977 7.091 0.805 1.00 65.11 H new ATOM 0 HG23 VAL A 102 0.291 8.316 1.050 1.00 65.11 H new ATOM 1688 N THR A 103 -2.243 7.458 3.653 1.00 42.41 N ATOM 1689 CA THR A 103 -3.688 7.299 3.785 1.00 20.20 C ATOM 1690 C THR A 103 -4.340 7.660 2.438 1.00 41.12 C ATOM 1691 O THR A 103 -4.331 8.819 2.017 1.00 62.54 O ATOM 1692 CB THR A 103 -4.247 8.195 4.936 1.00 3.23 C ATOM 1693 OG1 THR A 103 -3.360 8.124 6.073 1.00 23.52 O ATOM 1694 CG2 THR A 103 -5.657 7.740 5.365 1.00 34.13 C ATOM 0 H THR A 103 -1.926 8.424 3.737 1.00 42.41 H new ATOM 0 HA THR A 103 -3.923 6.266 4.042 1.00 20.20 H new ATOM 0 HB THR A 103 -4.312 9.219 4.569 1.00 3.23 H new ATOM 0 HG1 THR A 103 -3.709 8.687 6.795 1.00 23.52 H new ATOM 0 HG21 THR A 103 -6.018 8.383 6.167 1.00 34.13 H new ATOM 0 HG22 THR A 103 -6.335 7.806 4.514 1.00 34.13 H new ATOM 0 HG23 THR A 103 -5.615 6.709 5.717 1.00 34.13 H new ATOM 1702 N VAL A 104 -4.830 6.627 1.750 1.00 44.32 N ATOM 1703 CA VAL A 104 -5.448 6.722 0.425 1.00 2.33 C ATOM 1704 C VAL A 104 -6.923 6.328 0.546 1.00 43.11 C ATOM 1705 O VAL A 104 -7.238 5.171 0.843 1.00 15.41 O ATOM 1706 CB VAL A 104 -4.701 5.771 -0.586 1.00 0.23 C ATOM 1707 CG1 VAL A 104 -5.387 5.728 -1.975 1.00 4.45 C ATOM 1708 CG2 VAL A 104 -3.222 6.194 -0.712 1.00 50.25 C ATOM 0 H VAL A 104 -4.807 5.673 2.110 1.00 44.32 H new ATOM 0 HA VAL A 104 -5.374 7.742 0.048 1.00 2.33 H new ATOM 0 HB VAL A 104 -4.751 4.759 -0.185 1.00 0.23 H new ATOM 0 HG11 VAL A 104 -4.833 5.059 -2.634 1.00 4.45 H new ATOM 0 HG12 VAL A 104 -6.409 5.365 -1.865 1.00 4.45 H new ATOM 0 HG13 VAL A 104 -5.402 6.730 -2.405 1.00 4.45 H new ATOM 0 HG21 VAL A 104 -2.713 5.532 -1.412 1.00 50.25 H new ATOM 0 HG22 VAL A 104 -3.167 7.220 -1.077 1.00 50.25 H new ATOM 0 HG23 VAL A 104 -2.741 6.129 0.264 1.00 50.25 H new ATOM 1718 N GLU A 105 -7.822 7.301 0.348 1.00 22.55 N ATOM 1719 CA GLU A 105 -9.274 7.066 0.379 1.00 35.31 C ATOM 1720 C GLU A 105 -9.845 7.233 -1.021 1.00 52.11 C ATOM 1721 O GLU A 105 -9.296 7.980 -1.846 1.00 70.04 O ATOM 1722 CB GLU A 105 -9.989 8.035 1.350 1.00 14.35 C ATOM 1723 CG GLU A 105 -9.468 7.984 2.797 1.00 1.42 C ATOM 1724 CD GLU A 105 -10.422 8.663 3.789 1.00 1.25 C ATOM 1725 OE1 GLU A 105 -11.419 8.022 4.182 1.00 4.14 O ATOM 1726 OE2 GLU A 105 -10.204 9.838 4.158 1.00 13.24 O ATOM 0 H GLU A 105 -7.566 8.271 0.162 1.00 22.55 H new ATOM 0 HA GLU A 105 -9.443 6.050 0.735 1.00 35.31 H new ATOM 0 HB2 GLU A 105 -9.881 9.052 0.974 1.00 14.35 H new ATOM 0 HB3 GLU A 105 -11.055 7.807 1.352 1.00 14.35 H new ATOM 0 HG2 GLU A 105 -9.323 6.945 3.091 1.00 1.42 H new ATOM 0 HG3 GLU A 105 -8.493 8.468 2.846 1.00 1.42 H new ATOM 1733 N GLY A 106 -10.947 6.532 -1.284 1.00 50.20 N ATOM 1734 CA GLY A 106 -11.630 6.626 -2.559 1.00 74.51 C ATOM 1735 C GLY A 106 -12.966 5.928 -2.542 1.00 0.13 C ATOM 1736 O GLY A 106 -13.137 4.931 -1.827 1.00 3.23 O ATOM 0 H GLY A 106 -11.383 5.891 -0.621 1.00 50.20 H new ATOM 0 HA2 GLY A 106 -11.774 7.676 -2.816 1.00 74.51 H new ATOM 0 HA3 GLY A 106 -11.004 6.190 -3.338 1.00 74.51 H new ATOM 1740 N GLN A 107 -13.935 6.486 -3.287 1.00 75.44 N ATOM 1741 CA GLN A 107 -15.190 5.800 -3.571 1.00 74.33 C ATOM 1742 C GLN A 107 -14.922 4.654 -4.558 1.00 51.44 C ATOM 1743 O GLN A 107 -14.586 4.893 -5.723 1.00 3.33 O ATOM 1744 CB GLN A 107 -16.281 6.755 -4.132 1.00 60.44 C ATOM 1745 CG GLN A 107 -17.575 6.019 -4.590 1.00 31.02 C ATOM 1746 CD GLN A 107 -18.678 6.927 -5.128 1.00 70.50 C ATOM 1747 OE1 GLN A 107 -18.425 8.015 -5.642 1.00 43.31 O ATOM 1748 NE2 GLN A 107 -19.913 6.457 -5.073 1.00 43.02 N ATOM 0 H GLN A 107 -13.865 7.415 -3.702 1.00 75.44 H new ATOM 0 HA GLN A 107 -15.577 5.406 -2.631 1.00 74.33 H new ATOM 0 HB2 GLN A 107 -16.540 7.487 -3.367 1.00 60.44 H new ATOM 0 HB3 GLN A 107 -15.869 7.308 -4.976 1.00 60.44 H new ATOM 0 HG2 GLN A 107 -17.310 5.297 -5.363 1.00 31.02 H new ATOM 0 HG3 GLN A 107 -17.970 5.453 -3.747 1.00 31.02 H new ATOM 0 HE21 GLN A 107 -20.095 5.551 -4.641 1.00 43.02 H new ATOM 0 HE22 GLN A 107 -20.683 7.000 -5.463 1.00 43.02 H new