USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 854 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 Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 77:sc= 0.532 USER MOD Single : A 30 ASN : amide:sc= -0.376 K(o=-0.38,f=-5.2!) USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= -0.0068 (180deg=-0.0934) USER MOD Single : A 33 LYS NZ :NH3+ -114:sc= 1.21 (180deg=-0.354) USER MOD Single : A 40 LYS NZ :NH3+ -169:sc= -0.0075 (180deg=-0.149) USER MOD Single : A 41 MET CE :methyl -145:sc= -0.538 (180deg=-1.82!) USER MOD Single : A 44 LYS NZ :NH3+ 170:sc= 1.21 (180deg=1.1) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 43:sc= 0.0722 USER MOD Single : A 59 LYS NZ :NH3+ 155:sc= 1.24 (180deg=0.493) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -167:sc= -0.0171 (180deg=-0.222) USER MOD Single : A 70 LYS NZ :NH3+ -155:sc= 1.21 (180deg=0.867) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -162:sc= -0.0318 (180deg=-0.293) USER MOD Single : A 85 LYS NZ :NH3+ 158:sc= 0.991 (180deg=0.692) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 162:sc= -0.0642 (180deg=-0.427) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.159 K(o=-0.16,f=-3.3!) USER MOD Single : A 97 LYS NZ :NH3+ 164:sc= -0.0619 (180deg=-0.357) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0634 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.0383 USER MOD Single : A 110 SER OG : rot 180:sc= -0.0259 USER MOD Single : A 115 LYS NZ :NH3+ 161:sc= 1.21 (180deg=0.996) USER MOD Single : A 119 LYS NZ :NH3+ 169:sc=-0.00577 (180deg=-0.131) USER MOD Single : A 122 SER OG : rot -86:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 -7.731 -13.821 3.919 1.00 0.86 N ATOM 2 CA MET A 21 -7.660 -12.428 3.416 1.00 0.65 C ATOM 3 C MET A 21 -6.432 -12.243 2.533 1.00 0.55 C ATOM 4 O MET A 21 -5.379 -12.829 2.787 1.00 0.75 O ATOM 5 CB MET A 21 -7.613 -11.424 4.581 1.00 0.73 C ATOM 6 CG MET A 21 -6.328 -11.452 5.400 1.00 1.04 C ATOM 7 SD MET A 21 -6.067 -13.007 6.274 1.00 1.93 S ATOM 8 CE MET A 21 -4.544 -12.641 7.145 1.00 2.17 C ATOM 0 HA MET A 21 -8.558 -12.239 2.827 1.00 0.65 H new ATOM 0 HB2 MET A 21 -7.750 -10.419 4.181 1.00 0.73 H new ATOM 0 HB3 MET A 21 -8.455 -11.621 5.245 1.00 0.73 H new ATOM 0 HG2 MET A 21 -5.481 -11.269 4.739 1.00 1.04 H new ATOM 0 HG3 MET A 21 -6.350 -10.637 6.123 1.00 1.04 H new ATOM 0 HE1 MET A 21 -4.246 -13.507 7.736 1.00 2.17 H new ATOM 0 HE2 MET A 21 -3.760 -12.406 6.425 1.00 2.17 H new ATOM 0 HE3 MET A 21 -4.698 -11.787 7.805 1.00 2.17 H new ATOM 17 N THR A 22 -6.578 -11.444 1.491 1.00 0.43 N ATOM 18 CA THR A 22 -5.464 -11.111 0.619 1.00 0.41 C ATOM 19 C THR A 22 -4.862 -9.774 1.039 1.00 0.35 C ATOM 20 O THR A 22 -5.574 -8.897 1.535 1.00 0.38 O ATOM 21 CB THR A 22 -5.922 -11.039 -0.848 1.00 0.52 C ATOM 22 OG1 THR A 22 -6.571 -12.264 -1.211 1.00 0.82 O ATOM 23 CG2 THR A 22 -4.749 -10.801 -1.786 1.00 0.63 C ATOM 0 H THR A 22 -7.463 -11.011 1.226 1.00 0.43 H new ATOM 0 HA THR A 22 -4.710 -11.893 0.707 1.00 0.41 H new ATOM 0 HB THR A 22 -6.614 -10.202 -0.942 1.00 0.52 H new ATOM 0 HG1 THR A 22 -6.863 -12.215 -2.145 1.00 0.82 H new ATOM 0 HG21 THR A 22 -5.109 -10.756 -2.814 1.00 0.63 H new ATOM 0 HG22 THR A 22 -4.263 -9.859 -1.530 1.00 0.63 H new ATOM 0 HG23 THR A 22 -4.033 -11.617 -1.688 1.00 0.63 H new ATOM 31 N LEU A 23 -3.558 -9.626 0.862 1.00 0.32 N ATOM 32 CA LEU A 23 -2.874 -8.413 1.270 1.00 0.29 C ATOM 33 C LEU A 23 -2.346 -7.654 0.055 1.00 0.26 C ATOM 34 O LEU A 23 -1.552 -8.181 -0.729 1.00 0.30 O ATOM 35 CB LEU A 23 -1.731 -8.760 2.226 1.00 0.30 C ATOM 36 CG LEU A 23 -2.130 -9.636 3.418 1.00 0.36 C ATOM 37 CD1 LEU A 23 -0.928 -9.936 4.294 1.00 0.39 C ATOM 38 CD2 LEU A 23 -3.218 -8.965 4.238 1.00 0.39 C ATOM 0 H LEU A 23 -2.955 -10.331 0.439 1.00 0.32 H new ATOM 0 HA LEU A 23 -3.584 -7.767 1.786 1.00 0.29 H new ATOM 0 HB2 LEU A 23 -0.949 -9.271 1.664 1.00 0.30 H new ATOM 0 HB3 LEU A 23 -1.299 -7.833 2.603 1.00 0.30 H new ATOM 0 HG LEU A 23 -2.518 -10.577 3.027 1.00 0.36 H new ATOM 0 HD11 LEU A 23 -1.236 -10.559 5.134 1.00 0.39 H new ATOM 0 HD12 LEU A 23 -0.174 -10.462 3.709 1.00 0.39 H new ATOM 0 HD13 LEU A 23 -0.509 -9.002 4.670 1.00 0.39 H new ATOM 0 HD21 LEU A 23 -3.486 -9.604 5.079 1.00 0.39 H new ATOM 0 HD22 LEU A 23 -2.854 -8.008 4.611 1.00 0.39 H new ATOM 0 HD23 LEU A 23 -4.096 -8.801 3.613 1.00 0.39 H new ATOM 50 N PHE A 24 -2.802 -6.420 -0.102 1.00 0.25 N ATOM 51 CA PHE A 24 -2.404 -5.589 -1.231 1.00 0.25 C ATOM 52 C PHE A 24 -1.533 -4.441 -0.754 1.00 0.26 C ATOM 53 O PHE A 24 -1.690 -3.959 0.370 1.00 0.30 O ATOM 54 CB PHE A 24 -3.632 -5.017 -1.947 1.00 0.28 C ATOM 55 CG PHE A 24 -4.556 -6.052 -2.526 1.00 0.34 C ATOM 56 CD1 PHE A 24 -5.466 -6.718 -1.721 1.00 1.24 C ATOM 57 CD2 PHE A 24 -4.527 -6.344 -3.879 1.00 1.25 C ATOM 58 CE1 PHE A 24 -6.325 -7.657 -2.253 1.00 1.25 C ATOM 59 CE2 PHE A 24 -5.385 -7.284 -4.416 1.00 1.30 C ATOM 60 CZ PHE A 24 -6.283 -7.941 -3.603 1.00 0.51 C ATOM 0 H PHE A 24 -3.452 -5.969 0.542 1.00 0.25 H new ATOM 0 HA PHE A 24 -1.844 -6.214 -1.926 1.00 0.25 H new ATOM 0 HB2 PHE A 24 -4.192 -4.401 -1.244 1.00 0.28 H new ATOM 0 HB3 PHE A 24 -3.296 -4.360 -2.749 1.00 0.28 H new ATOM 0 HD1 PHE A 24 -5.503 -6.499 -0.664 1.00 1.24 H new ATOM 0 HD2 PHE A 24 -3.826 -5.831 -4.521 1.00 1.25 H new ATOM 0 HE1 PHE A 24 -7.029 -8.169 -1.614 1.00 1.25 H new ATOM 0 HE2 PHE A 24 -5.352 -7.504 -5.473 1.00 1.30 H new ATOM 0 HZ PHE A 24 -6.953 -8.677 -4.022 1.00 0.51 H new ATOM 70 N VAL A 25 -0.620 -3.998 -1.600 1.00 0.29 N ATOM 71 CA VAL A 25 0.225 -2.869 -1.267 1.00 0.31 C ATOM 72 C VAL A 25 0.469 -1.981 -2.487 1.00 0.30 C ATOM 73 O VAL A 25 0.939 -2.437 -3.533 1.00 0.35 O ATOM 74 CB VAL A 25 1.565 -3.323 -0.626 1.00 0.38 C ATOM 75 CG1 VAL A 25 2.227 -4.423 -1.440 1.00 1.08 C ATOM 76 CG2 VAL A 25 2.512 -2.144 -0.451 1.00 0.98 C ATOM 0 H VAL A 25 -0.446 -4.403 -2.520 1.00 0.29 H new ATOM 0 HA VAL A 25 -0.306 -2.276 -0.523 1.00 0.31 H new ATOM 0 HB VAL A 25 1.335 -3.729 0.359 1.00 0.38 H new ATOM 0 HG11 VAL A 25 3.162 -4.716 -0.963 1.00 1.08 H new ATOM 0 HG12 VAL A 25 1.562 -5.285 -1.496 1.00 1.08 H new ATOM 0 HG13 VAL A 25 2.432 -4.058 -2.446 1.00 1.08 H new ATOM 0 HG21 VAL A 25 3.443 -2.489 -0.000 1.00 0.98 H new ATOM 0 HG22 VAL A 25 2.723 -1.699 -1.424 1.00 0.98 H new ATOM 0 HG23 VAL A 25 2.050 -1.399 0.196 1.00 0.98 H new ATOM 86 N LEU A 26 0.100 -0.717 -2.344 1.00 0.34 N ATOM 87 CA LEU A 26 0.328 0.289 -3.369 1.00 0.35 C ATOM 88 C LEU A 26 1.507 1.152 -2.950 1.00 0.34 C ATOM 89 O LEU A 26 1.887 1.151 -1.779 1.00 0.36 O ATOM 90 CB LEU A 26 -0.913 1.174 -3.576 1.00 0.40 C ATOM 91 CG LEU A 26 -2.169 0.475 -4.119 1.00 0.44 C ATOM 92 CD1 LEU A 26 -1.817 -0.441 -5.278 1.00 1.18 C ATOM 93 CD2 LEU A 26 -2.893 -0.291 -3.024 1.00 1.09 C ATOM 0 H LEU A 26 -0.367 -0.359 -1.511 1.00 0.34 H new ATOM 0 HA LEU A 26 0.538 -0.214 -4.313 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -1.165 1.637 -2.622 1.00 0.40 H new ATOM 0 HB3 LEU A 26 -0.648 1.980 -4.261 1.00 0.40 H new ATOM 0 HG LEU A 26 -2.846 1.246 -4.486 1.00 0.44 H new ATOM 0 HD11 LEU A 26 -2.721 -0.925 -5.647 1.00 1.18 H new ATOM 0 HD12 LEU A 26 -1.366 0.144 -6.080 1.00 1.18 H new ATOM 0 HD13 LEU A 26 -1.111 -1.200 -4.941 1.00 1.18 H new ATOM 0 HD21 LEU A 26 -3.777 -0.774 -3.441 1.00 1.09 H new ATOM 0 HD22 LEU A 26 -2.228 -1.048 -2.609 1.00 1.09 H new ATOM 0 HD23 LEU A 26 -3.194 0.399 -2.236 1.00 1.09 H new ATOM 105 N ILE A 27 2.085 1.885 -3.886 1.00 0.34 N ATOM 106 CA ILE A 27 3.274 2.665 -3.586 1.00 0.32 C ATOM 107 C ILE A 27 3.373 3.923 -4.448 1.00 0.30 C ATOM 108 O ILE A 27 3.454 3.839 -5.673 1.00 0.36 O ATOM 109 CB ILE A 27 4.549 1.801 -3.769 1.00 0.33 C ATOM 110 CG1 ILE A 27 5.817 2.648 -3.588 1.00 0.33 C ATOM 111 CG2 ILE A 27 4.541 1.117 -5.131 1.00 0.35 C ATOM 112 CD1 ILE A 27 7.102 1.852 -3.677 1.00 0.55 C ATOM 0 H ILE A 27 1.756 1.957 -4.849 1.00 0.34 H new ATOM 0 HA ILE A 27 3.194 2.982 -2.546 1.00 0.32 H new ATOM 0 HB ILE A 27 4.551 1.029 -2.999 1.00 0.33 H new ATOM 0 HG12 ILE A 27 5.832 3.430 -4.347 1.00 0.33 H new ATOM 0 HG13 ILE A 27 5.775 3.145 -2.619 1.00 0.33 H new ATOM 0 HG21 ILE A 27 5.443 0.515 -5.241 1.00 0.35 H new ATOM 0 HG22 ILE A 27 3.664 0.474 -5.210 1.00 0.35 H new ATOM 0 HG23 ILE A 27 4.510 1.872 -5.917 1.00 0.35 H new ATOM 0 HD11 ILE A 27 7.953 2.519 -3.539 1.00 0.55 H new ATOM 0 HD12 ILE A 27 7.111 1.087 -2.900 1.00 0.55 H new ATOM 0 HD13 ILE A 27 7.168 1.376 -4.655 1.00 0.55 H new ATOM 124 N LEU A 28 3.361 5.096 -3.811 1.00 0.30 N ATOM 125 CA LEU A 28 3.649 6.329 -4.532 1.00 0.36 C ATOM 126 C LEU A 28 5.023 6.850 -4.137 1.00 0.38 C ATOM 127 O LEU A 28 5.156 7.750 -3.305 1.00 0.41 O ATOM 128 CB LEU A 28 2.599 7.411 -4.237 1.00 0.46 C ATOM 129 CG LEU A 28 1.444 7.505 -5.233 1.00 0.62 C ATOM 130 CD1 LEU A 28 0.476 6.351 -5.062 1.00 1.24 C ATOM 131 CD2 LEU A 28 0.718 8.831 -5.084 1.00 1.18 C ATOM 0 H LEU A 28 3.159 5.214 -2.818 1.00 0.30 H new ATOM 0 HA LEU A 28 3.624 6.103 -5.598 1.00 0.36 H new ATOM 0 HB2 LEU A 28 2.185 7.228 -3.245 1.00 0.46 H new ATOM 0 HB3 LEU A 28 3.101 8.378 -4.199 1.00 0.46 H new ATOM 0 HG LEU A 28 1.864 7.447 -6.237 1.00 0.62 H new ATOM 0 HD11 LEU A 28 -0.335 6.446 -5.785 1.00 1.24 H new ATOM 0 HD12 LEU A 28 1.000 5.409 -5.226 1.00 1.24 H new ATOM 0 HD13 LEU A 28 0.066 6.367 -4.052 1.00 1.24 H new ATOM 0 HD21 LEU A 28 -0.101 8.880 -5.801 1.00 1.18 H new ATOM 0 HD22 LEU A 28 0.320 8.916 -4.073 1.00 1.18 H new ATOM 0 HD23 LEU A 28 1.413 9.649 -5.271 1.00 1.18 H new ATOM 143 N SER A 29 6.035 6.255 -4.731 1.00 0.44 N ATOM 144 CA SER A 29 7.392 6.750 -4.661 1.00 0.56 C ATOM 145 C SER A 29 8.101 6.365 -5.947 1.00 0.68 C ATOM 146 O SER A 29 7.819 5.296 -6.490 1.00 1.05 O ATOM 147 CB SER A 29 8.134 6.158 -3.458 1.00 0.61 C ATOM 148 OG SER A 29 9.373 6.820 -3.249 1.00 1.27 O ATOM 0 H SER A 29 5.937 5.403 -5.283 1.00 0.44 H new ATOM 0 HA SER A 29 7.378 7.833 -4.539 1.00 0.56 H new ATOM 0 HB2 SER A 29 7.515 6.246 -2.565 1.00 0.61 H new ATOM 0 HB3 SER A 29 8.309 5.095 -3.621 1.00 0.61 H new ATOM 0 HG SER A 29 9.212 7.690 -2.827 1.00 1.27 H new ATOM 154 N ASN A 30 8.993 7.192 -6.459 1.00 0.60 N ATOM 155 CA ASN A 30 9.867 6.701 -7.505 1.00 0.67 C ATOM 156 C ASN A 30 11.326 6.849 -7.092 1.00 0.64 C ATOM 157 O ASN A 30 12.002 7.832 -7.401 1.00 0.68 O ATOM 158 CB ASN A 30 9.591 7.414 -8.842 1.00 0.79 C ATOM 159 CG ASN A 30 9.721 8.930 -8.783 1.00 1.85 C ATOM 160 OD1 ASN A 30 9.443 9.562 -7.764 1.00 2.75 O ATOM 161 ND2 ASN A 30 10.138 9.525 -9.889 1.00 2.45 N ATOM 0 H ASN A 30 9.129 8.165 -6.183 1.00 0.60 H new ATOM 0 HA ASN A 30 9.660 5.641 -7.652 1.00 0.67 H new ATOM 0 HB2 ASN A 30 10.281 7.031 -9.594 1.00 0.79 H new ATOM 0 HB3 ASN A 30 8.584 7.160 -9.175 1.00 0.79 H new ATOM 0 HD21 ASN A 30 10.238 10.540 -9.916 1.00 2.45 H new ATOM 0 HD22 ASN A 30 10.359 8.969 -10.715 1.00 2.45 H new ATOM 168 N ASP A 31 11.798 5.833 -6.389 1.00 0.63 N ATOM 169 CA ASP A 31 13.211 5.636 -6.124 1.00 0.67 C ATOM 170 C ASP A 31 13.630 4.298 -6.711 1.00 0.72 C ATOM 171 O ASP A 31 12.857 3.343 -6.686 1.00 0.81 O ATOM 172 CB ASP A 31 13.492 5.694 -4.626 1.00 0.72 C ATOM 173 CG ASP A 31 14.950 5.456 -4.304 1.00 0.92 C ATOM 174 OD1 ASP A 31 15.721 6.431 -4.304 1.00 1.45 O ATOM 175 OD2 ASP A 31 15.332 4.294 -4.049 1.00 1.57 O ATOM 0 H ASP A 31 11.201 5.113 -5.981 1.00 0.63 H new ATOM 0 HA ASP A 31 13.791 6.433 -6.590 1.00 0.67 H new ATOM 0 HB2 ASP A 31 13.192 6.668 -4.240 1.00 0.72 H new ATOM 0 HB3 ASP A 31 12.883 4.948 -4.116 1.00 0.72 H new ATOM 180 N LYS A 32 14.847 4.216 -7.213 1.00 0.78 N ATOM 181 CA LYS A 32 15.294 3.021 -7.915 1.00 0.82 C ATOM 182 C LYS A 32 15.602 1.876 -6.948 1.00 0.79 C ATOM 183 O LYS A 32 15.405 0.707 -7.282 1.00 0.81 O ATOM 184 CB LYS A 32 16.513 3.330 -8.789 1.00 0.99 C ATOM 185 CG LYS A 32 16.205 4.193 -10.012 1.00 1.10 C ATOM 186 CD LYS A 32 15.873 5.629 -9.636 1.00 1.61 C ATOM 187 CE LYS A 32 15.477 6.454 -10.850 1.00 2.22 C ATOM 188 NZ LYS A 32 16.578 6.553 -11.843 1.00 2.93 N ATOM 0 H LYS A 32 15.544 4.958 -7.150 1.00 0.78 H new ATOM 0 HA LYS A 32 14.476 2.696 -8.559 1.00 0.82 H new ATOM 0 HB2 LYS A 32 17.263 3.836 -8.181 1.00 0.99 H new ATOM 0 HB3 LYS A 32 16.954 2.391 -9.123 1.00 0.99 H new ATOM 0 HG2 LYS A 32 17.062 4.185 -10.685 1.00 1.10 H new ATOM 0 HG3 LYS A 32 15.367 3.760 -10.558 1.00 1.10 H new ATOM 0 HD2 LYS A 32 15.059 5.636 -8.911 1.00 1.61 H new ATOM 0 HD3 LYS A 32 16.736 6.086 -9.151 1.00 1.61 H new ATOM 0 HE2 LYS A 32 14.603 6.006 -11.322 1.00 2.22 H new ATOM 0 HE3 LYS A 32 15.188 7.455 -10.529 1.00 2.22 H new ATOM 0 HZ1 LYS A 32 16.315 7.231 -12.586 1.00 2.93 H new ATOM 0 HZ2 LYS A 32 17.445 6.877 -11.369 1.00 2.93 H new ATOM 0 HZ3 LYS A 32 16.745 5.620 -12.270 1.00 2.93 H new ATOM 202 N LYS A 33 16.070 2.205 -5.752 1.00 0.84 N ATOM 203 CA LYS A 33 16.359 1.185 -4.750 1.00 0.86 C ATOM 204 C LYS A 33 15.093 0.785 -4.011 1.00 0.74 C ATOM 205 O LYS A 33 14.816 -0.401 -3.837 1.00 0.70 O ATOM 206 CB LYS A 33 17.402 1.676 -3.747 1.00 1.02 C ATOM 207 CG LYS A 33 18.839 1.513 -4.217 1.00 1.56 C ATOM 208 CD LYS A 33 19.833 1.986 -3.163 1.00 2.24 C ATOM 209 CE LYS A 33 19.566 1.359 -1.798 1.00 2.94 C ATOM 210 NZ LYS A 33 19.595 -0.128 -1.839 1.00 3.44 N ATOM 0 H LYS A 33 16.257 3.162 -5.452 1.00 0.84 H new ATOM 0 HA LYS A 33 16.759 0.316 -5.273 1.00 0.86 H new ATOM 0 HB2 LYS A 33 17.218 2.729 -3.534 1.00 1.02 H new ATOM 0 HB3 LYS A 33 17.273 1.134 -2.810 1.00 1.02 H new ATOM 0 HG2 LYS A 33 19.029 0.466 -4.452 1.00 1.56 H new ATOM 0 HG3 LYS A 33 18.987 2.078 -5.137 1.00 1.56 H new ATOM 0 HD2 LYS A 33 20.845 1.738 -3.483 1.00 2.24 H new ATOM 0 HD3 LYS A 33 19.782 3.072 -3.079 1.00 2.24 H new ATOM 0 HE2 LYS A 33 20.311 1.714 -1.086 1.00 2.94 H new ATOM 0 HE3 LYS A 33 18.594 1.690 -1.433 1.00 2.94 H new ATOM 0 HZ1 LYS A 33 18.645 -0.499 -1.635 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 19.895 -0.443 -2.784 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 20.265 -0.482 -1.127 1.00 3.44 H new ATOM 224 N LEU A 34 14.328 1.785 -3.588 1.00 0.72 N ATOM 225 CA LEU A 34 13.083 1.556 -2.863 1.00 0.64 C ATOM 226 C LEU A 34 12.153 0.638 -3.642 1.00 0.58 C ATOM 227 O LEU A 34 11.680 -0.355 -3.109 1.00 0.62 O ATOM 228 CB LEU A 34 12.385 2.887 -2.576 1.00 0.63 C ATOM 229 CG LEU A 34 10.956 2.794 -2.034 1.00 0.69 C ATOM 230 CD1 LEU A 34 10.896 2.045 -0.721 1.00 1.37 C ATOM 231 CD2 LEU A 34 10.370 4.181 -1.863 1.00 1.46 C ATOM 0 H LEU A 34 14.550 2.769 -3.736 1.00 0.72 H new ATOM 0 HA LEU A 34 13.329 1.069 -1.919 1.00 0.64 H new ATOM 0 HB2 LEU A 34 12.989 3.443 -1.859 1.00 0.63 H new ATOM 0 HB3 LEU A 34 12.366 3.470 -3.497 1.00 0.63 H new ATOM 0 HG LEU A 34 10.367 2.236 -2.762 1.00 0.69 H new ATOM 0 HD11 LEU A 34 9.864 2.003 -0.373 1.00 1.37 H new ATOM 0 HD12 LEU A 34 11.273 1.032 -0.862 1.00 1.37 H new ATOM 0 HD13 LEU A 34 11.508 2.560 0.020 1.00 1.37 H new ATOM 0 HD21 LEU A 34 9.354 4.102 -1.477 1.00 1.46 H new ATOM 0 HD22 LEU A 34 10.981 4.750 -1.162 1.00 1.46 H new ATOM 0 HD23 LEU A 34 10.353 4.690 -2.827 1.00 1.46 H new ATOM 243 N ILE A 35 11.912 0.963 -4.909 1.00 0.54 N ATOM 244 CA ILE A 35 10.999 0.180 -5.734 1.00 0.52 C ATOM 245 C ILE A 35 11.449 -1.280 -5.829 1.00 0.55 C ATOM 246 O ILE A 35 10.625 -2.199 -5.776 1.00 0.58 O ATOM 247 CB ILE A 35 10.860 0.790 -7.151 1.00 0.56 C ATOM 248 CG1 ILE A 35 10.085 2.111 -7.081 1.00 0.57 C ATOM 249 CG2 ILE A 35 10.175 -0.181 -8.104 1.00 0.61 C ATOM 250 CD1 ILE A 35 9.954 2.811 -8.417 1.00 0.69 C ATOM 0 H ILE A 35 12.335 1.760 -5.385 1.00 0.54 H new ATOM 0 HA ILE A 35 10.023 0.207 -5.250 1.00 0.52 H new ATOM 0 HB ILE A 35 11.860 0.986 -7.538 1.00 0.56 H new ATOM 0 HG12 ILE A 35 9.089 1.917 -6.683 1.00 0.57 H new ATOM 0 HG13 ILE A 35 10.584 2.778 -6.379 1.00 0.57 H new ATOM 0 HG21 ILE A 35 10.092 0.275 -9.090 1.00 0.61 H new ATOM 0 HG22 ILE A 35 10.763 -1.096 -8.176 1.00 0.61 H new ATOM 0 HG23 ILE A 35 9.179 -0.418 -7.729 1.00 0.61 H new ATOM 0 HD11 ILE A 35 9.394 3.738 -8.289 1.00 0.69 H new ATOM 0 HD12 ILE A 35 10.946 3.037 -8.808 1.00 0.69 H new ATOM 0 HD13 ILE A 35 9.427 2.163 -9.117 1.00 0.69 H new ATOM 262 N GLU A 36 12.754 -1.492 -5.947 1.00 0.59 N ATOM 263 CA GLU A 36 13.294 -2.842 -6.007 1.00 0.66 C ATOM 264 C GLU A 36 13.161 -3.551 -4.667 1.00 0.62 C ATOM 265 O GLU A 36 12.550 -4.617 -4.583 1.00 0.62 O ATOM 266 CB GLU A 36 14.752 -2.818 -6.452 1.00 0.79 C ATOM 267 CG GLU A 36 14.919 -2.418 -7.904 1.00 0.76 C ATOM 268 CD GLU A 36 14.268 -3.401 -8.857 1.00 1.34 C ATOM 269 OE1 GLU A 36 14.952 -4.351 -9.289 1.00 2.15 O ATOM 270 OE2 GLU A 36 13.072 -3.229 -9.181 1.00 1.87 O ATOM 0 H GLU A 36 13.453 -0.751 -6.003 1.00 0.59 H new ATOM 0 HA GLU A 36 12.713 -3.399 -6.742 1.00 0.66 H new ATOM 0 HB2 GLU A 36 15.307 -2.123 -5.823 1.00 0.79 H new ATOM 0 HB3 GLU A 36 15.189 -3.805 -6.300 1.00 0.79 H new ATOM 0 HG2 GLU A 36 14.487 -1.429 -8.057 1.00 0.76 H new ATOM 0 HG3 GLU A 36 15.981 -2.341 -8.136 1.00 0.76 H new ATOM 277 N GLU A 37 13.711 -2.949 -3.619 1.00 0.62 N ATOM 278 CA GLU A 37 13.707 -3.565 -2.296 1.00 0.65 C ATOM 279 C GLU A 37 12.287 -3.753 -1.773 1.00 0.56 C ATOM 280 O GLU A 37 12.009 -4.720 -1.065 1.00 0.57 O ATOM 281 CB GLU A 37 14.524 -2.735 -1.306 1.00 0.73 C ATOM 282 CG GLU A 37 16.007 -2.690 -1.634 1.00 0.85 C ATOM 283 CD GLU A 37 16.822 -2.020 -0.550 1.00 1.30 C ATOM 284 OE1 GLU A 37 17.108 -2.676 0.474 1.00 2.05 O ATOM 285 OE2 GLU A 37 17.196 -0.844 -0.719 1.00 1.84 O ATOM 0 H GLU A 37 14.165 -2.036 -3.659 1.00 0.62 H new ATOM 0 HA GLU A 37 14.167 -4.548 -2.394 1.00 0.65 H new ATOM 0 HB2 GLU A 37 14.133 -1.718 -1.287 1.00 0.73 H new ATOM 0 HB3 GLU A 37 14.393 -3.146 -0.305 1.00 0.73 H new ATOM 0 HG2 GLU A 37 16.373 -3.706 -1.784 1.00 0.85 H new ATOM 0 HG3 GLU A 37 16.152 -2.157 -2.574 1.00 0.85 H new ATOM 292 N ALA A 38 11.394 -2.837 -2.131 1.00 0.51 N ATOM 293 CA ALA A 38 9.998 -2.936 -1.728 1.00 0.46 C ATOM 294 C ALA A 38 9.382 -4.226 -2.240 1.00 0.42 C ATOM 295 O ALA A 38 8.777 -4.975 -1.479 1.00 0.43 O ATOM 296 CB ALA A 38 9.199 -1.739 -2.224 1.00 0.50 C ATOM 0 H ALA A 38 11.613 -2.019 -2.699 1.00 0.51 H new ATOM 0 HA ALA A 38 9.966 -2.942 -0.638 1.00 0.46 H new ATOM 0 HB1 ALA A 38 8.160 -1.839 -1.909 1.00 0.50 H new ATOM 0 HB2 ALA A 38 9.618 -0.824 -1.807 1.00 0.50 H new ATOM 0 HB3 ALA A 38 9.245 -1.696 -3.312 1.00 0.50 H new ATOM 302 N ARG A 39 9.554 -4.502 -3.527 1.00 0.43 N ATOM 303 CA ARG A 39 8.999 -5.717 -4.094 1.00 0.45 C ATOM 304 C ARG A 39 9.781 -6.934 -3.631 1.00 0.45 C ATOM 305 O ARG A 39 9.206 -7.983 -3.431 1.00 0.49 O ATOM 306 CB ARG A 39 8.950 -5.670 -5.620 1.00 0.53 C ATOM 307 CG ARG A 39 8.433 -6.963 -6.242 1.00 0.60 C ATOM 308 CD ARG A 39 8.021 -6.763 -7.692 1.00 0.77 C ATOM 309 NE ARG A 39 6.799 -5.964 -7.820 1.00 1.46 N ATOM 310 CZ ARG A 39 6.532 -5.174 -8.863 1.00 1.90 C ATOM 311 NH1 ARG A 39 7.416 -5.043 -9.845 1.00 1.82 N ATOM 312 NH2 ARG A 39 5.377 -4.518 -8.922 1.00 2.96 N ATOM 0 H ARG A 39 10.064 -3.912 -4.184 1.00 0.43 H new ATOM 0 HA ARG A 39 7.973 -5.796 -3.734 1.00 0.45 H new ATOM 0 HB2 ARG A 39 8.312 -4.843 -5.932 1.00 0.53 H new ATOM 0 HB3 ARG A 39 9.949 -5.463 -6.003 1.00 0.53 H new ATOM 0 HG2 ARG A 39 9.207 -7.729 -6.186 1.00 0.60 H new ATOM 0 HG3 ARG A 39 7.581 -7.328 -5.668 1.00 0.60 H new ATOM 0 HD2 ARG A 39 8.831 -6.273 -8.233 1.00 0.77 H new ATOM 0 HD3 ARG A 39 7.867 -7.735 -8.161 1.00 0.77 H new ATOM 0 HE ARG A 39 6.112 -6.014 -7.068 1.00 1.46 H new ATOM 0 HH11 ARG A 39 8.302 -5.547 -9.804 1.00 1.82 H new ATOM 0 HH12 ARG A 39 7.209 -4.439 -10.640 1.00 1.82 H new ATOM 0 HH21 ARG A 39 4.695 -4.618 -8.170 1.00 2.96 H new ATOM 0 HH22 ARG A 39 5.173 -3.915 -9.719 1.00 2.96 H new ATOM 326 N LYS A 40 11.085 -6.799 -3.449 1.00 0.49 N ATOM 327 CA LYS A 40 11.885 -7.916 -2.958 1.00 0.55 C ATOM 328 C LYS A 40 11.411 -8.338 -1.573 1.00 0.49 C ATOM 329 O LYS A 40 11.365 -9.523 -1.254 1.00 0.54 O ATOM 330 CB LYS A 40 13.371 -7.559 -2.926 1.00 0.70 C ATOM 331 CG LYS A 40 13.967 -7.329 -4.304 1.00 0.85 C ATOM 332 CD LYS A 40 15.462 -7.081 -4.231 1.00 1.27 C ATOM 333 CE LYS A 40 16.039 -6.767 -5.601 1.00 1.34 C ATOM 334 NZ LYS A 40 15.830 -7.879 -6.567 1.00 1.88 N ATOM 0 H LYS A 40 11.608 -5.942 -3.630 1.00 0.49 H new ATOM 0 HA LYS A 40 11.755 -8.752 -3.645 1.00 0.55 H new ATOM 0 HB2 LYS A 40 13.508 -6.660 -2.325 1.00 0.70 H new ATOM 0 HB3 LYS A 40 13.919 -8.361 -2.431 1.00 0.70 H new ATOM 0 HG2 LYS A 40 13.772 -8.196 -4.935 1.00 0.85 H new ATOM 0 HG3 LYS A 40 13.479 -6.476 -4.775 1.00 0.85 H new ATOM 0 HD2 LYS A 40 15.662 -6.253 -3.552 1.00 1.27 H new ATOM 0 HD3 LYS A 40 15.958 -7.959 -3.818 1.00 1.27 H new ATOM 0 HE2 LYS A 40 15.577 -5.859 -5.989 1.00 1.34 H new ATOM 0 HE3 LYS A 40 17.106 -6.566 -5.507 1.00 1.34 H new ATOM 0 HZ1 LYS A 40 16.394 -7.706 -7.423 1.00 1.88 H new ATOM 0 HZ2 LYS A 40 16.126 -8.776 -6.133 1.00 1.88 H new ATOM 0 HZ3 LYS A 40 14.823 -7.933 -6.821 1.00 1.88 H new ATOM 348 N MET A 41 11.044 -7.365 -0.758 1.00 0.45 N ATOM 349 CA MET A 41 10.505 -7.638 0.555 1.00 0.46 C ATOM 350 C MET A 41 9.065 -8.145 0.444 1.00 0.41 C ATOM 351 O MET A 41 8.705 -9.160 1.037 1.00 0.46 O ATOM 352 CB MET A 41 10.563 -6.358 1.381 1.00 0.57 C ATOM 353 CG MET A 41 10.127 -6.499 2.827 1.00 0.89 C ATOM 354 SD MET A 41 11.251 -7.493 3.835 1.00 1.10 S ATOM 355 CE MET A 41 10.569 -9.138 3.623 1.00 1.68 C ATOM 0 H MET A 41 11.112 -6.374 -0.988 1.00 0.45 H new ATOM 0 HA MET A 41 11.094 -8.414 1.044 1.00 0.46 H new ATOM 0 HB2 MET A 41 11.585 -5.979 1.362 1.00 0.57 H new ATOM 0 HB3 MET A 41 9.936 -5.607 0.901 1.00 0.57 H new ATOM 0 HG2 MET A 41 10.040 -5.506 3.269 1.00 0.89 H new ATOM 0 HG3 MET A 41 9.135 -6.949 2.855 1.00 0.89 H new ATOM 0 HE1 MET A 41 10.684 -9.702 4.549 1.00 1.68 H new ATOM 0 HE2 MET A 41 9.511 -9.064 3.373 1.00 1.68 H new ATOM 0 HE3 MET A 41 11.097 -9.650 2.819 1.00 1.68 H new ATOM 365 N ALA A 42 8.259 -7.450 -0.352 1.00 0.37 N ATOM 366 CA ALA A 42 6.840 -7.765 -0.488 1.00 0.39 C ATOM 367 C ALA A 42 6.605 -9.079 -1.229 1.00 0.42 C ATOM 368 O ALA A 42 5.629 -9.773 -0.968 1.00 0.49 O ATOM 369 CB ALA A 42 6.118 -6.632 -1.196 1.00 0.43 C ATOM 0 H ALA A 42 8.567 -6.659 -0.917 1.00 0.37 H new ATOM 0 HA ALA A 42 6.438 -7.884 0.518 1.00 0.39 H new ATOM 0 HB1 ALA A 42 5.060 -6.878 -1.292 1.00 0.43 H new ATOM 0 HB2 ALA A 42 6.226 -5.714 -0.618 1.00 0.43 H new ATOM 0 HB3 ALA A 42 6.549 -6.489 -2.187 1.00 0.43 H new ATOM 375 N GLU A 43 7.495 -9.415 -2.152 1.00 0.45 N ATOM 376 CA GLU A 43 7.364 -10.634 -2.939 1.00 0.59 C ATOM 377 C GLU A 43 7.510 -11.845 -2.027 1.00 0.63 C ATOM 378 O GLU A 43 6.692 -12.765 -2.058 1.00 0.75 O ATOM 379 CB GLU A 43 8.415 -10.659 -4.058 1.00 0.71 C ATOM 380 CG GLU A 43 8.229 -11.769 -5.081 1.00 0.87 C ATOM 381 CD GLU A 43 8.944 -13.048 -4.703 1.00 1.66 C ATOM 382 OE1 GLU A 43 8.274 -14.005 -4.261 1.00 2.36 O ATOM 383 OE2 GLU A 43 10.182 -13.105 -4.855 1.00 2.41 O ATOM 0 H GLU A 43 8.320 -8.858 -2.375 1.00 0.45 H new ATOM 0 HA GLU A 43 6.378 -10.663 -3.404 1.00 0.59 H new ATOM 0 HB2 GLU A 43 8.397 -9.700 -4.576 1.00 0.71 H new ATOM 0 HB3 GLU A 43 9.403 -10.760 -3.608 1.00 0.71 H new ATOM 0 HG2 GLU A 43 7.165 -11.975 -5.196 1.00 0.87 H new ATOM 0 HG3 GLU A 43 8.594 -11.428 -6.050 1.00 0.87 H new ATOM 390 N LYS A 44 8.539 -11.820 -1.185 1.00 0.60 N ATOM 391 CA LYS A 44 8.761 -12.896 -0.219 1.00 0.70 C ATOM 392 C LYS A 44 7.743 -12.810 0.916 1.00 0.66 C ATOM 393 O LYS A 44 7.616 -13.728 1.730 1.00 0.75 O ATOM 394 CB LYS A 44 10.185 -12.854 0.353 1.00 0.81 C ATOM 395 CG LYS A 44 11.265 -13.354 -0.602 1.00 1.39 C ATOM 396 CD LYS A 44 11.473 -12.409 -1.772 1.00 2.35 C ATOM 397 CE LYS A 44 12.586 -12.881 -2.690 1.00 3.19 C ATOM 398 NZ LYS A 44 12.232 -14.142 -3.387 1.00 3.63 N ATOM 0 H LYS A 44 9.230 -11.071 -1.150 1.00 0.60 H new ATOM 0 HA LYS A 44 8.635 -13.842 -0.745 1.00 0.70 H new ATOM 0 HB2 LYS A 44 10.418 -11.828 0.640 1.00 0.81 H new ATOM 0 HB3 LYS A 44 10.216 -13.454 1.262 1.00 0.81 H new ATOM 0 HG2 LYS A 44 12.203 -13.470 -0.059 1.00 1.39 H new ATOM 0 HG3 LYS A 44 10.989 -14.340 -0.977 1.00 1.39 H new ATOM 0 HD2 LYS A 44 10.546 -12.324 -2.339 1.00 2.35 H new ATOM 0 HD3 LYS A 44 11.710 -11.413 -1.397 1.00 2.35 H new ATOM 0 HE2 LYS A 44 12.801 -12.107 -3.427 1.00 3.19 H new ATOM 0 HE3 LYS A 44 13.496 -13.030 -2.109 1.00 3.19 H new ATOM 0 HZ1 LYS A 44 12.937 -14.341 -4.125 1.00 3.63 H new ATOM 0 HZ2 LYS A 44 12.217 -14.925 -2.702 1.00 3.63 H new ATOM 0 HZ3 LYS A 44 11.293 -14.046 -3.823 1.00 3.63 H new ATOM 412 N ALA A 45 7.030 -11.697 0.970 1.00 0.57 N ATOM 413 CA ALA A 45 5.976 -11.509 1.951 1.00 0.59 C ATOM 414 C ALA A 45 4.618 -11.829 1.340 1.00 0.59 C ATOM 415 O ALA A 45 3.584 -11.709 1.995 1.00 0.66 O ATOM 416 CB ALA A 45 6.003 -10.091 2.496 1.00 0.56 C ATOM 0 H ALA A 45 7.164 -10.905 0.341 1.00 0.57 H new ATOM 0 HA ALA A 45 6.147 -12.195 2.781 1.00 0.59 H new ATOM 0 HB1 ALA A 45 5.206 -9.968 3.230 1.00 0.56 H new ATOM 0 HB2 ALA A 45 6.966 -9.902 2.971 1.00 0.56 H new ATOM 0 HB3 ALA A 45 5.856 -9.384 1.679 1.00 0.56 H new ATOM 422 N ASN A 46 4.651 -12.233 0.068 1.00 0.56 N ATOM 423 CA ASN A 46 3.459 -12.624 -0.688 1.00 0.60 C ATOM 424 C ASN A 46 2.416 -11.513 -0.719 1.00 0.54 C ATOM 425 O ASN A 46 1.221 -11.758 -0.557 1.00 0.63 O ATOM 426 CB ASN A 46 2.855 -13.920 -0.136 1.00 0.76 C ATOM 427 CG ASN A 46 3.756 -15.116 -0.370 1.00 1.41 C ATOM 428 OD1 ASN A 46 3.716 -15.736 -1.431 1.00 2.03 O ATOM 429 ND2 ASN A 46 4.564 -15.456 0.619 1.00 2.18 N ATOM 0 H ASN A 46 5.514 -12.299 -0.471 1.00 0.56 H new ATOM 0 HA ASN A 46 3.776 -12.804 -1.715 1.00 0.60 H new ATOM 0 HB2 ASN A 46 2.673 -13.808 0.933 1.00 0.76 H new ATOM 0 HB3 ASN A 46 1.888 -14.098 -0.607 1.00 0.76 H new ATOM 0 HD21 ASN A 46 5.185 -16.259 0.517 1.00 2.18 H new ATOM 0 HD22 ASN A 46 4.567 -14.915 1.484 1.00 2.18 H new ATOM 436 N LEU A 47 2.877 -10.293 -0.940 1.00 0.44 N ATOM 437 CA LEU A 47 1.985 -9.150 -1.036 1.00 0.42 C ATOM 438 C LEU A 47 1.833 -8.731 -2.491 1.00 0.41 C ATOM 439 O LEU A 47 2.798 -8.762 -3.259 1.00 0.58 O ATOM 440 CB LEU A 47 2.529 -7.971 -0.231 1.00 0.43 C ATOM 441 CG LEU A 47 2.896 -8.271 1.222 1.00 0.45 C ATOM 442 CD1 LEU A 47 3.451 -7.025 1.884 1.00 0.47 C ATOM 443 CD2 LEU A 47 1.693 -8.787 1.989 1.00 0.59 C ATOM 0 H LEU A 47 3.865 -10.069 -1.056 1.00 0.44 H new ATOM 0 HA LEU A 47 1.015 -9.440 -0.631 1.00 0.42 H new ATOM 0 HB2 LEU A 47 3.414 -7.587 -0.738 1.00 0.43 H new ATOM 0 HB3 LEU A 47 1.785 -7.174 -0.241 1.00 0.43 H new ATOM 0 HG LEU A 47 3.660 -9.048 1.232 1.00 0.45 H new ATOM 0 HD11 LEU A 47 3.710 -7.248 2.919 1.00 0.47 H new ATOM 0 HD12 LEU A 47 4.342 -6.695 1.350 1.00 0.47 H new ATOM 0 HD13 LEU A 47 2.700 -6.235 1.860 1.00 0.47 H new ATOM 0 HD21 LEU A 47 1.980 -8.993 3.020 1.00 0.59 H new ATOM 0 HD22 LEU A 47 0.903 -8.036 1.975 1.00 0.59 H new ATOM 0 HD23 LEU A 47 1.330 -9.703 1.523 1.00 0.59 H new ATOM 455 N ILE A 48 0.627 -8.337 -2.867 1.00 0.30 N ATOM 456 CA ILE A 48 0.375 -7.870 -4.220 1.00 0.32 C ATOM 457 C ILE A 48 0.786 -6.405 -4.348 1.00 0.32 C ATOM 458 O ILE A 48 0.035 -5.502 -3.971 1.00 0.33 O ATOM 459 CB ILE A 48 -1.109 -8.037 -4.611 1.00 0.36 C ATOM 460 CG1 ILE A 48 -1.564 -9.477 -4.360 1.00 0.40 C ATOM 461 CG2 ILE A 48 -1.320 -7.666 -6.073 1.00 0.43 C ATOM 462 CD1 ILE A 48 -3.011 -9.730 -4.725 1.00 0.53 C ATOM 0 H ILE A 48 -0.190 -8.331 -2.256 1.00 0.30 H new ATOM 0 HA ILE A 48 0.970 -8.478 -4.901 1.00 0.32 H new ATOM 0 HB ILE A 48 -1.707 -7.367 -3.993 1.00 0.36 H new ATOM 0 HG12 ILE A 48 -0.930 -10.154 -4.933 1.00 0.40 H new ATOM 0 HG13 ILE A 48 -1.417 -9.717 -3.307 1.00 0.40 H new ATOM 0 HG21 ILE A 48 -2.372 -7.790 -6.332 1.00 0.43 H new ATOM 0 HG22 ILE A 48 -1.027 -6.628 -6.231 1.00 0.43 H new ATOM 0 HG23 ILE A 48 -0.713 -8.315 -6.704 1.00 0.43 H new ATOM 0 HD11 ILE A 48 -3.261 -10.771 -4.520 1.00 0.53 H new ATOM 0 HD12 ILE A 48 -3.655 -9.079 -4.134 1.00 0.53 H new ATOM 0 HD13 ILE A 48 -3.161 -9.523 -5.785 1.00 0.53 H new ATOM 474 N LEU A 49 1.994 -6.183 -4.851 1.00 0.34 N ATOM 475 CA LEU A 49 2.537 -4.836 -4.981 1.00 0.35 C ATOM 476 C LEU A 49 2.245 -4.252 -6.354 1.00 0.35 C ATOM 477 O LEU A 49 2.789 -4.709 -7.362 1.00 0.44 O ATOM 478 CB LEU A 49 4.051 -4.842 -4.750 1.00 0.44 C ATOM 479 CG LEU A 49 4.729 -3.471 -4.859 1.00 0.58 C ATOM 480 CD1 LEU A 49 4.475 -2.640 -3.614 1.00 0.90 C ATOM 481 CD2 LEU A 49 6.218 -3.625 -5.101 1.00 1.14 C ATOM 0 H LEU A 49 2.618 -6.921 -5.177 1.00 0.34 H new ATOM 0 HA LEU A 49 2.054 -4.217 -4.225 1.00 0.35 H new ATOM 0 HB2 LEU A 49 4.251 -5.251 -3.760 1.00 0.44 H new ATOM 0 HB3 LEU A 49 4.511 -5.516 -5.472 1.00 0.44 H new ATOM 0 HG LEU A 49 4.295 -2.949 -5.711 1.00 0.58 H new ATOM 0 HD11 LEU A 49 4.966 -1.672 -3.716 1.00 0.90 H new ATOM 0 HD12 LEU A 49 3.403 -2.491 -3.489 1.00 0.90 H new ATOM 0 HD13 LEU A 49 4.874 -3.159 -2.742 1.00 0.90 H new ATOM 0 HD21 LEU A 49 6.678 -2.640 -5.175 1.00 1.14 H new ATOM 0 HD22 LEU A 49 6.666 -4.174 -4.273 1.00 1.14 H new ATOM 0 HD23 LEU A 49 6.381 -4.172 -6.029 1.00 1.14 H new ATOM 493 N ILE A 50 1.398 -3.236 -6.387 1.00 0.33 N ATOM 494 CA ILE A 50 1.104 -2.534 -7.626 1.00 0.34 C ATOM 495 C ILE A 50 1.814 -1.187 -7.634 1.00 0.32 C ATOM 496 O ILE A 50 1.537 -0.323 -6.800 1.00 0.36 O ATOM 497 CB ILE A 50 -0.416 -2.302 -7.840 1.00 0.41 C ATOM 498 CG1 ILE A 50 -1.193 -3.623 -7.855 1.00 0.48 C ATOM 499 CG2 ILE A 50 -0.664 -1.538 -9.132 1.00 0.46 C ATOM 500 CD1 ILE A 50 -1.596 -4.113 -6.480 1.00 0.94 C ATOM 0 H ILE A 50 0.902 -2.879 -5.570 1.00 0.33 H new ATOM 0 HA ILE A 50 1.460 -3.166 -8.439 1.00 0.34 H new ATOM 0 HB ILE A 50 -0.776 -1.709 -7.000 1.00 0.41 H new ATOM 0 HG12 ILE A 50 -2.089 -3.499 -8.463 1.00 0.48 H new ATOM 0 HG13 ILE A 50 -0.583 -4.387 -8.338 1.00 0.48 H new ATOM 0 HG21 ILE A 50 -1.735 -1.385 -9.264 1.00 0.46 H new ATOM 0 HG22 ILE A 50 -0.163 -0.571 -9.085 1.00 0.46 H new ATOM 0 HG23 ILE A 50 -0.272 -2.109 -9.974 1.00 0.46 H new ATOM 0 HD11 ILE A 50 -2.141 -5.052 -6.574 1.00 0.94 H new ATOM 0 HD12 ILE A 50 -0.704 -4.271 -5.874 1.00 0.94 H new ATOM 0 HD13 ILE A 50 -2.233 -3.370 -6.001 1.00 0.94 H new ATOM 512 N THR A 51 2.742 -1.020 -8.561 1.00 0.32 N ATOM 513 CA THR A 51 3.449 0.239 -8.710 1.00 0.35 C ATOM 514 C THR A 51 2.549 1.271 -9.379 1.00 0.38 C ATOM 515 O THR A 51 2.039 1.041 -10.475 1.00 0.55 O ATOM 516 CB THR A 51 4.738 0.052 -9.529 1.00 0.47 C ATOM 517 OG1 THR A 51 4.465 -0.752 -10.687 1.00 1.17 O ATOM 518 CG2 THR A 51 5.823 -0.607 -8.689 1.00 0.89 C ATOM 0 H THR A 51 3.023 -1.743 -9.223 1.00 0.32 H new ATOM 0 HA THR A 51 3.723 0.595 -7.717 1.00 0.35 H new ATOM 0 HB THR A 51 5.093 1.034 -9.842 1.00 0.47 H new ATOM 0 HG1 THR A 51 3.620 -0.466 -11.092 1.00 1.17 H new ATOM 0 HG21 THR A 51 6.724 -0.729 -9.290 1.00 0.89 H new ATOM 0 HG22 THR A 51 6.045 0.019 -7.825 1.00 0.89 H new ATOM 0 HG23 THR A 51 5.478 -1.584 -8.350 1.00 0.89 H new ATOM 526 N VAL A 52 2.340 2.395 -8.709 1.00 0.39 N ATOM 527 CA VAL A 52 1.410 3.404 -9.190 1.00 0.49 C ATOM 528 C VAL A 52 1.842 4.801 -8.741 1.00 0.58 C ATOM 529 O VAL A 52 1.878 5.097 -7.551 1.00 0.80 O ATOM 530 CB VAL A 52 -0.028 3.096 -8.694 1.00 0.59 C ATOM 531 CG1 VAL A 52 -0.060 2.878 -7.187 1.00 1.38 C ATOM 532 CG2 VAL A 52 -0.996 4.198 -9.092 1.00 1.04 C ATOM 0 H VAL A 52 2.802 2.630 -7.831 1.00 0.39 H new ATOM 0 HA VAL A 52 1.415 3.380 -10.280 1.00 0.49 H new ATOM 0 HB VAL A 52 -0.346 2.172 -9.177 1.00 0.59 H new ATOM 0 HG11 VAL A 52 -1.081 2.665 -6.872 1.00 1.38 H new ATOM 0 HG12 VAL A 52 0.583 2.037 -6.927 1.00 1.38 H new ATOM 0 HG13 VAL A 52 0.295 3.776 -6.682 1.00 1.38 H new ATOM 0 HG21 VAL A 52 -1.995 3.953 -8.730 1.00 1.04 H new ATOM 0 HG22 VAL A 52 -0.673 5.142 -8.654 1.00 1.04 H new ATOM 0 HG23 VAL A 52 -1.016 4.290 -10.178 1.00 1.04 H new ATOM 542 N GLY A 53 2.185 5.659 -9.689 1.00 0.66 N ATOM 543 CA GLY A 53 2.625 6.987 -9.324 1.00 0.75 C ATOM 544 C GLY A 53 1.709 8.076 -9.839 1.00 0.81 C ATOM 545 O GLY A 53 1.846 8.514 -10.983 1.00 1.24 O ATOM 0 H GLY A 53 2.167 5.464 -10.690 1.00 0.66 H new ATOM 0 HA2 GLY A 53 2.689 7.057 -8.238 1.00 0.75 H new ATOM 0 HA3 GLY A 53 3.630 7.151 -9.714 1.00 0.75 H new ATOM 549 N ASP A 54 0.790 8.506 -8.969 1.00 0.71 N ATOM 550 CA ASP A 54 -0.104 9.648 -9.194 1.00 0.82 C ATOM 551 C ASP A 54 -1.281 9.554 -8.225 1.00 0.70 C ATOM 552 O ASP A 54 -1.713 8.450 -7.899 1.00 0.64 O ATOM 553 CB ASP A 54 -0.628 9.702 -10.634 1.00 1.08 C ATOM 554 CG ASP A 54 -1.578 10.855 -10.869 1.00 1.34 C ATOM 555 OD1 ASP A 54 -2.793 10.609 -10.979 1.00 1.75 O ATOM 556 OD2 ASP A 54 -1.111 12.013 -10.932 1.00 1.98 O ATOM 0 H ASP A 54 0.643 8.058 -8.065 1.00 0.71 H new ATOM 0 HA ASP A 54 0.467 10.561 -9.022 1.00 0.82 H new ATOM 0 HB2 ASP A 54 0.215 9.786 -11.320 1.00 1.08 H new ATOM 0 HB3 ASP A 54 -1.136 8.766 -10.866 1.00 1.08 H new ATOM 561 N GLU A 55 -1.796 10.690 -7.756 1.00 0.80 N ATOM 562 CA GLU A 55 -2.892 10.681 -6.786 1.00 0.79 C ATOM 563 C GLU A 55 -4.150 10.077 -7.388 1.00 0.69 C ATOM 564 O GLU A 55 -4.793 9.221 -6.777 1.00 0.71 O ATOM 565 CB GLU A 55 -3.210 12.088 -6.278 1.00 0.95 C ATOM 566 CG GLU A 55 -2.119 12.708 -5.420 1.00 0.90 C ATOM 567 CD GLU A 55 -0.877 13.065 -6.202 1.00 1.53 C ATOM 568 OE1 GLU A 55 0.238 12.872 -5.673 1.00 2.16 O ATOM 569 OE2 GLU A 55 -1.008 13.532 -7.352 1.00 2.21 O ATOM 0 H GLU A 55 -1.476 11.620 -8.028 1.00 0.80 H new ATOM 0 HA GLU A 55 -2.561 10.070 -5.946 1.00 0.79 H new ATOM 0 HB2 GLU A 55 -3.395 12.737 -7.134 1.00 0.95 H new ATOM 0 HB3 GLU A 55 -4.133 12.052 -5.700 1.00 0.95 H new ATOM 0 HG2 GLU A 55 -2.509 13.606 -4.941 1.00 0.90 H new ATOM 0 HG3 GLU A 55 -1.852 12.012 -4.625 1.00 0.90 H new ATOM 576 N GLU A 56 -4.493 10.519 -8.588 1.00 0.70 N ATOM 577 CA GLU A 56 -5.690 10.035 -9.251 1.00 0.70 C ATOM 578 C GLU A 56 -5.523 8.571 -9.622 1.00 0.66 C ATOM 579 O GLU A 56 -6.460 7.788 -9.507 1.00 0.67 O ATOM 580 CB GLU A 56 -6.000 10.872 -10.491 1.00 0.82 C ATOM 581 CG GLU A 56 -6.203 12.347 -10.189 1.00 0.93 C ATOM 582 CD GLU A 56 -7.290 12.592 -9.162 1.00 1.33 C ATOM 583 OE1 GLU A 56 -8.483 12.488 -9.512 1.00 2.04 O ATOM 584 OE2 GLU A 56 -6.957 12.900 -8.002 1.00 1.89 O ATOM 0 H GLU A 56 -3.961 11.209 -9.119 1.00 0.70 H new ATOM 0 HA GLU A 56 -6.530 10.129 -8.563 1.00 0.70 H new ATOM 0 HB2 GLU A 56 -5.184 10.764 -11.206 1.00 0.82 H new ATOM 0 HB3 GLU A 56 -6.897 10.480 -10.970 1.00 0.82 H new ATOM 0 HG2 GLU A 56 -5.266 12.772 -9.828 1.00 0.93 H new ATOM 0 HG3 GLU A 56 -6.456 12.871 -11.111 1.00 0.93 H new ATOM 591 N GLU A 57 -4.313 8.203 -10.039 1.00 0.65 N ATOM 592 CA GLU A 57 -4.006 6.810 -10.346 1.00 0.65 C ATOM 593 C GLU A 57 -4.085 5.949 -9.092 1.00 0.55 C ATOM 594 O GLU A 57 -4.446 4.776 -9.167 1.00 0.52 O ATOM 595 CB GLU A 57 -2.619 6.669 -10.971 1.00 0.73 C ATOM 596 CG GLU A 57 -2.486 7.318 -12.336 1.00 1.11 C ATOM 597 CD GLU A 57 -3.476 6.770 -13.339 1.00 1.52 C ATOM 598 OE1 GLU A 57 -4.290 7.557 -13.861 1.00 2.13 O ATOM 599 OE2 GLU A 57 -3.443 5.547 -13.612 1.00 2.16 O ATOM 0 H GLU A 57 -3.534 8.847 -10.171 1.00 0.65 H new ATOM 0 HA GLU A 57 -4.750 6.468 -11.066 1.00 0.65 H new ATOM 0 HB2 GLU A 57 -1.883 7.109 -10.298 1.00 0.73 H new ATOM 0 HB3 GLU A 57 -2.378 5.610 -11.059 1.00 0.73 H new ATOM 0 HG2 GLU A 57 -2.631 8.394 -12.238 1.00 1.11 H new ATOM 0 HG3 GLU A 57 -1.474 7.165 -12.710 1.00 1.11 H new ATOM 606 N LEU A 58 -3.736 6.527 -7.944 1.00 0.52 N ATOM 607 CA LEU A 58 -3.856 5.824 -6.672 1.00 0.48 C ATOM 608 C LEU A 58 -5.305 5.454 -6.428 1.00 0.46 C ATOM 609 O LEU A 58 -5.602 4.323 -6.064 1.00 0.44 O ATOM 610 CB LEU A 58 -3.328 6.675 -5.512 1.00 0.52 C ATOM 611 CG LEU A 58 -3.418 6.016 -4.130 1.00 0.55 C ATOM 612 CD1 LEU A 58 -2.626 4.717 -4.095 1.00 0.83 C ATOM 613 CD2 LEU A 58 -2.925 6.967 -3.050 1.00 0.74 C ATOM 0 H LEU A 58 -3.370 7.476 -7.870 1.00 0.52 H new ATOM 0 HA LEU A 58 -3.252 4.918 -6.724 1.00 0.48 H new ATOM 0 HB2 LEU A 58 -2.286 6.926 -5.711 1.00 0.52 H new ATOM 0 HB3 LEU A 58 -3.883 7.613 -5.487 1.00 0.52 H new ATOM 0 HG LEU A 58 -4.465 5.783 -3.935 1.00 0.55 H new ATOM 0 HD11 LEU A 58 -2.706 4.269 -3.105 1.00 0.83 H new ATOM 0 HD12 LEU A 58 -3.025 4.027 -4.838 1.00 0.83 H new ATOM 0 HD13 LEU A 58 -1.579 4.923 -4.317 1.00 0.83 H new ATOM 0 HD21 LEU A 58 -2.997 6.481 -2.077 1.00 0.74 H new ATOM 0 HD22 LEU A 58 -1.887 7.234 -3.247 1.00 0.74 H new ATOM 0 HD23 LEU A 58 -3.538 7.868 -3.052 1.00 0.74 H new ATOM 625 N LYS A 59 -6.204 6.398 -6.686 1.00 0.52 N ATOM 626 CA LYS A 59 -7.640 6.170 -6.533 1.00 0.57 C ATOM 627 C LYS A 59 -8.097 4.980 -7.371 1.00 0.51 C ATOM 628 O LYS A 59 -9.092 4.326 -7.064 1.00 0.58 O ATOM 629 CB LYS A 59 -8.417 7.430 -6.926 1.00 0.69 C ATOM 630 CG LYS A 59 -8.101 8.630 -6.047 1.00 0.76 C ATOM 631 CD LYS A 59 -8.742 9.903 -6.577 1.00 0.97 C ATOM 632 CE LYS A 59 -8.473 11.080 -5.653 1.00 1.64 C ATOM 633 NZ LYS A 59 -8.987 12.358 -6.209 1.00 2.26 N ATOM 0 H LYS A 59 -5.962 7.336 -7.005 1.00 0.52 H new ATOM 0 HA LYS A 59 -7.842 5.942 -5.486 1.00 0.57 H new ATOM 0 HB2 LYS A 59 -8.192 7.679 -7.963 1.00 0.69 H new ATOM 0 HB3 LYS A 59 -9.485 7.221 -6.873 1.00 0.69 H new ATOM 0 HG2 LYS A 59 -8.453 8.441 -5.033 1.00 0.76 H new ATOM 0 HG3 LYS A 59 -7.021 8.764 -5.989 1.00 0.76 H new ATOM 0 HD2 LYS A 59 -8.354 10.122 -7.572 1.00 0.97 H new ATOM 0 HD3 LYS A 59 -9.817 9.756 -6.680 1.00 0.97 H new ATOM 0 HE2 LYS A 59 -8.938 10.894 -4.685 1.00 1.64 H new ATOM 0 HE3 LYS A 59 -7.400 11.166 -5.480 1.00 1.64 H new ATOM 0 HZ1 LYS A 59 -9.176 13.024 -5.432 1.00 2.26 H new ATOM 0 HZ2 LYS A 59 -8.279 12.767 -6.851 1.00 2.26 H new ATOM 0 HZ3 LYS A 59 -9.867 12.179 -6.733 1.00 2.26 H new ATOM 647 N LYS A 60 -7.337 4.698 -8.410 1.00 0.49 N ATOM 648 CA LYS A 60 -7.629 3.603 -9.314 1.00 0.48 C ATOM 649 C LYS A 60 -6.942 2.328 -8.830 1.00 0.41 C ATOM 650 O LYS A 60 -7.466 1.228 -8.980 1.00 0.41 O ATOM 651 CB LYS A 60 -7.133 3.973 -10.703 1.00 0.58 C ATOM 652 CG LYS A 60 -7.375 5.433 -11.031 1.00 0.72 C ATOM 653 CD LYS A 60 -8.792 5.692 -11.503 1.00 1.19 C ATOM 654 CE LYS A 60 -9.034 7.177 -11.725 1.00 1.91 C ATOM 655 NZ LYS A 60 -10.384 7.445 -12.283 1.00 2.35 N ATOM 0 H LYS A 60 -6.497 5.223 -8.652 1.00 0.49 H new ATOM 0 HA LYS A 60 -8.704 3.423 -9.344 1.00 0.48 H new ATOM 0 HB2 LYS A 60 -6.067 3.759 -10.774 1.00 0.58 H new ATOM 0 HB3 LYS A 60 -7.634 3.349 -11.443 1.00 0.58 H new ATOM 0 HG2 LYS A 60 -7.172 6.039 -10.148 1.00 0.72 H new ATOM 0 HG3 LYS A 60 -6.674 5.750 -11.803 1.00 0.72 H new ATOM 0 HD2 LYS A 60 -8.975 5.148 -12.430 1.00 1.19 H new ATOM 0 HD3 LYS A 60 -9.499 5.312 -10.766 1.00 1.19 H new ATOM 0 HE2 LYS A 60 -8.921 7.708 -10.780 1.00 1.91 H new ATOM 0 HE3 LYS A 60 -8.277 7.570 -12.404 1.00 1.91 H new ATOM 0 HZ1 LYS A 60 -10.507 8.469 -12.419 1.00 2.35 H new ATOM 0 HZ2 LYS A 60 -10.484 6.960 -13.198 1.00 2.35 H new ATOM 0 HZ3 LYS A 60 -11.108 7.094 -11.624 1.00 2.35 H new ATOM 669 N ALA A 61 -5.766 2.499 -8.232 1.00 0.40 N ATOM 670 CA ALA A 61 -4.971 1.380 -7.746 1.00 0.39 C ATOM 671 C ALA A 61 -5.624 0.723 -6.536 1.00 0.32 C ATOM 672 O ALA A 61 -5.751 -0.500 -6.485 1.00 0.34 O ATOM 673 CB ALA A 61 -3.561 1.841 -7.406 1.00 0.47 C ATOM 0 H ALA A 61 -5.341 3.412 -8.072 1.00 0.40 H new ATOM 0 HA ALA A 61 -4.915 0.636 -8.541 1.00 0.39 H new ATOM 0 HB1 ALA A 61 -2.979 0.994 -7.044 1.00 0.47 H new ATOM 0 HB2 ALA A 61 -3.088 2.252 -8.298 1.00 0.47 H new ATOM 0 HB3 ALA A 61 -3.605 2.608 -6.632 1.00 0.47 H new ATOM 679 N ILE A 62 -6.041 1.531 -5.563 1.00 0.31 N ATOM 680 CA ILE A 62 -6.736 0.985 -4.397 1.00 0.37 C ATOM 681 C ILE A 62 -8.077 0.399 -4.820 1.00 0.36 C ATOM 682 O ILE A 62 -8.526 -0.605 -4.271 1.00 0.38 O ATOM 683 CB ILE A 62 -6.984 2.007 -3.254 1.00 0.49 C ATOM 684 CG1 ILE A 62 -6.330 3.361 -3.528 1.00 0.45 C ATOM 685 CG2 ILE A 62 -6.474 1.440 -1.939 1.00 0.83 C ATOM 686 CD1 ILE A 62 -6.538 4.372 -2.420 1.00 0.53 C ATOM 0 H ILE A 62 -5.914 2.543 -5.556 1.00 0.31 H new ATOM 0 HA ILE A 62 -6.069 0.221 -3.997 1.00 0.37 H new ATOM 0 HB ILE A 62 -8.059 2.176 -3.196 1.00 0.49 H new ATOM 0 HG12 ILE A 62 -5.260 3.214 -3.678 1.00 0.45 H new ATOM 0 HG13 ILE A 62 -6.730 3.766 -4.458 1.00 0.45 H new ATOM 0 HG21 ILE A 62 -6.650 2.160 -1.140 1.00 0.83 H new ATOM 0 HG22 ILE A 62 -7.000 0.512 -1.714 1.00 0.83 H new ATOM 0 HG23 ILE A 62 -5.405 1.240 -2.019 1.00 0.83 H new ATOM 0 HD11 ILE A 62 -6.046 5.308 -2.684 1.00 0.53 H new ATOM 0 HD12 ILE A 62 -7.605 4.549 -2.284 1.00 0.53 H new ATOM 0 HD13 ILE A 62 -6.113 3.988 -1.493 1.00 0.53 H new ATOM 698 N LYS A 63 -8.706 1.022 -5.812 1.00 0.37 N ATOM 699 CA LYS A 63 -9.964 0.523 -6.351 1.00 0.40 C ATOM 700 C LYS A 63 -9.754 -0.832 -7.027 1.00 0.35 C ATOM 701 O LYS A 63 -10.599 -1.724 -6.934 1.00 0.40 O ATOM 702 CB LYS A 63 -10.542 1.524 -7.350 1.00 0.49 C ATOM 703 CG LYS A 63 -11.897 1.121 -7.904 1.00 0.59 C ATOM 704 CD LYS A 63 -12.395 2.109 -8.946 1.00 1.21 C ATOM 705 CE LYS A 63 -12.611 3.493 -8.355 1.00 1.94 C ATOM 706 NZ LYS A 63 -13.148 4.441 -9.361 1.00 2.76 N ATOM 0 H LYS A 63 -8.364 1.873 -6.258 1.00 0.37 H new ATOM 0 HA LYS A 63 -10.669 0.397 -5.529 1.00 0.40 H new ATOM 0 HB2 LYS A 63 -10.632 2.496 -6.866 1.00 0.49 H new ATOM 0 HB3 LYS A 63 -9.842 1.644 -8.177 1.00 0.49 H new ATOM 0 HG2 LYS A 63 -11.828 0.128 -8.348 1.00 0.59 H new ATOM 0 HG3 LYS A 63 -12.619 1.057 -7.090 1.00 0.59 H new ATOM 0 HD2 LYS A 63 -11.675 2.171 -9.762 1.00 1.21 H new ATOM 0 HD3 LYS A 63 -13.330 1.746 -9.373 1.00 1.21 H new ATOM 0 HE2 LYS A 63 -13.301 3.426 -7.514 1.00 1.94 H new ATOM 0 HE3 LYS A 63 -11.667 3.873 -7.964 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 -13.282 5.374 -8.922 1.00 2.76 H new ATOM 0 HZ2 LYS A 63 -12.478 4.524 -10.152 1.00 2.76 H new ATOM 0 HZ3 LYS A 63 -14.061 4.091 -9.716 1.00 2.76 H new ATOM 720 N LYS A 64 -8.622 -0.973 -7.704 1.00 0.34 N ATOM 721 CA LYS A 64 -8.249 -2.233 -8.332 1.00 0.39 C ATOM 722 C LYS A 64 -8.001 -3.298 -7.269 1.00 0.35 C ATOM 723 O LYS A 64 -8.407 -4.450 -7.418 1.00 0.40 O ATOM 724 CB LYS A 64 -6.999 -2.039 -9.194 1.00 0.51 C ATOM 725 CG LYS A 64 -6.544 -3.297 -9.918 1.00 1.05 C ATOM 726 CD LYS A 64 -5.298 -3.047 -10.755 1.00 1.04 C ATOM 727 CE LYS A 64 -5.551 -2.039 -11.870 1.00 1.59 C ATOM 728 NZ LYS A 64 -6.607 -2.503 -12.809 1.00 2.11 N ATOM 0 H LYS A 64 -7.942 -0.224 -7.833 1.00 0.34 H new ATOM 0 HA LYS A 64 -9.067 -2.565 -8.971 1.00 0.39 H new ATOM 0 HB2 LYS A 64 -7.196 -1.260 -9.930 1.00 0.51 H new ATOM 0 HB3 LYS A 64 -6.186 -1.682 -8.562 1.00 0.51 H new ATOM 0 HG2 LYS A 64 -6.341 -4.082 -9.190 1.00 1.05 H new ATOM 0 HG3 LYS A 64 -7.347 -3.657 -10.560 1.00 1.05 H new ATOM 0 HD2 LYS A 64 -4.497 -2.683 -10.112 1.00 1.04 H new ATOM 0 HD3 LYS A 64 -4.957 -3.988 -11.187 1.00 1.04 H new ATOM 0 HE2 LYS A 64 -5.846 -1.084 -11.436 1.00 1.59 H new ATOM 0 HE3 LYS A 64 -4.626 -1.867 -12.420 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 -6.598 -1.909 -13.663 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 -6.426 -3.492 -13.074 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 -7.537 -2.433 -12.348 1.00 2.11 H new ATOM 742 N ALA A 65 -7.338 -2.898 -6.189 1.00 0.30 N ATOM 743 CA ALA A 65 -7.105 -3.784 -5.059 1.00 0.30 C ATOM 744 C ALA A 65 -8.433 -4.217 -4.447 1.00 0.33 C ATOM 745 O ALA A 65 -8.638 -5.390 -4.144 1.00 0.38 O ATOM 746 CB ALA A 65 -6.235 -3.094 -4.018 1.00 0.31 C ATOM 0 H ALA A 65 -6.952 -1.961 -6.074 1.00 0.30 H new ATOM 0 HA ALA A 65 -6.581 -4.672 -5.411 1.00 0.30 H new ATOM 0 HB1 ALA A 65 -6.069 -3.768 -3.178 1.00 0.31 H new ATOM 0 HB2 ALA A 65 -5.277 -2.827 -4.464 1.00 0.31 H new ATOM 0 HB3 ALA A 65 -6.735 -2.192 -3.666 1.00 0.31 H new ATOM 752 N ASP A 66 -9.331 -3.250 -4.287 1.00 0.35 N ATOM 753 CA ASP A 66 -10.686 -3.500 -3.796 1.00 0.41 C ATOM 754 C ASP A 66 -11.408 -4.520 -4.672 1.00 0.40 C ATOM 755 O ASP A 66 -12.107 -5.408 -4.174 1.00 0.47 O ATOM 756 CB ASP A 66 -11.472 -2.183 -3.777 1.00 0.48 C ATOM 757 CG ASP A 66 -12.955 -2.374 -3.522 1.00 0.55 C ATOM 758 OD1 ASP A 66 -13.375 -2.330 -2.352 1.00 1.11 O ATOM 759 OD2 ASP A 66 -13.717 -2.531 -4.503 1.00 1.36 O ATOM 0 H ASP A 66 -9.142 -2.269 -4.494 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.619 -3.906 -2.787 1.00 0.41 H new ATOM 0 HB2 ASP A 66 -11.059 -1.532 -3.007 1.00 0.48 H new ATOM 0 HB3 ASP A 66 -11.337 -1.673 -4.731 1.00 0.48 H new ATOM 764 N ASP A 67 -11.225 -4.385 -5.980 1.00 0.36 N ATOM 765 CA ASP A 67 -11.857 -5.272 -6.950 1.00 0.38 C ATOM 766 C ASP A 67 -11.371 -6.705 -6.781 1.00 0.40 C ATOM 767 O ASP A 67 -12.175 -7.631 -6.673 1.00 0.48 O ATOM 768 CB ASP A 67 -11.578 -4.788 -8.374 1.00 0.42 C ATOM 769 CG ASP A 67 -12.119 -5.735 -9.426 1.00 0.95 C ATOM 770 OD1 ASP A 67 -13.355 -5.910 -9.502 1.00 1.66 O ATOM 771 OD2 ASP A 67 -11.314 -6.298 -10.195 1.00 1.68 O ATOM 0 H ASP A 67 -10.638 -3.662 -6.397 1.00 0.36 H new ATOM 0 HA ASP A 67 -12.932 -5.253 -6.772 1.00 0.38 H new ATOM 0 HB2 ASP A 67 -12.023 -3.803 -8.513 1.00 0.42 H new ATOM 0 HB3 ASP A 67 -10.503 -4.674 -8.511 1.00 0.42 H new ATOM 776 N ILE A 68 -10.058 -6.878 -6.737 1.00 0.37 N ATOM 777 CA ILE A 68 -9.467 -8.203 -6.613 1.00 0.41 C ATOM 778 C ILE A 68 -9.755 -8.803 -5.236 1.00 0.41 C ATOM 779 O ILE A 68 -9.968 -10.009 -5.105 1.00 0.47 O ATOM 780 CB ILE A 68 -7.941 -8.156 -6.845 1.00 0.43 C ATOM 781 CG1 ILE A 68 -7.630 -7.511 -8.200 1.00 0.46 C ATOM 782 CG2 ILE A 68 -7.347 -9.559 -6.774 1.00 0.48 C ATOM 783 CD1 ILE A 68 -6.150 -7.306 -8.454 1.00 0.51 C ATOM 0 H ILE A 68 -9.381 -6.117 -6.785 1.00 0.37 H new ATOM 0 HA ILE A 68 -9.920 -8.833 -7.378 1.00 0.41 H new ATOM 0 HB ILE A 68 -7.489 -7.551 -6.059 1.00 0.43 H new ATOM 0 HG12 ILE A 68 -8.042 -8.136 -8.992 1.00 0.46 H new ATOM 0 HG13 ILE A 68 -8.136 -6.547 -8.258 1.00 0.46 H new ATOM 0 HG21 ILE A 68 -6.271 -9.507 -6.940 1.00 0.48 H new ATOM 0 HG22 ILE A 68 -7.543 -9.988 -5.791 1.00 0.48 H new ATOM 0 HG23 ILE A 68 -7.802 -10.186 -7.540 1.00 0.48 H new ATOM 0 HD11 ILE A 68 -6.009 -6.846 -9.432 1.00 0.51 H new ATOM 0 HD12 ILE A 68 -5.735 -6.656 -7.684 1.00 0.51 H new ATOM 0 HD13 ILE A 68 -5.640 -8.269 -8.430 1.00 0.51 H new ATOM 795 N ALA A 69 -9.775 -7.954 -4.217 1.00 0.39 N ATOM 796 CA ALA A 69 -9.997 -8.400 -2.847 1.00 0.43 C ATOM 797 C ALA A 69 -11.407 -8.947 -2.654 1.00 0.47 C ATOM 798 O ALA A 69 -11.593 -10.144 -2.427 1.00 0.53 O ATOM 799 CB ALA A 69 -9.741 -7.263 -1.869 1.00 0.46 C ATOM 0 H ALA A 69 -9.639 -6.948 -4.314 1.00 0.39 H new ATOM 0 HA ALA A 69 -9.293 -9.209 -2.649 1.00 0.43 H new ATOM 0 HB1 ALA A 69 -9.911 -7.613 -0.851 1.00 0.46 H new ATOM 0 HB2 ALA A 69 -8.710 -6.923 -1.968 1.00 0.46 H new ATOM 0 HB3 ALA A 69 -10.418 -6.437 -2.086 1.00 0.46 H new ATOM 805 N LYS A 70 -12.400 -8.074 -2.770 1.00 0.52 N ATOM 806 CA LYS A 70 -13.783 -8.450 -2.498 1.00 0.65 C ATOM 807 C LYS A 70 -14.312 -9.451 -3.501 1.00 0.63 C ATOM 808 O LYS A 70 -15.405 -9.990 -3.318 1.00 0.72 O ATOM 809 CB LYS A 70 -14.702 -7.247 -2.537 1.00 0.87 C ATOM 810 CG LYS A 70 -14.503 -6.249 -1.407 1.00 1.09 C ATOM 811 CD LYS A 70 -15.387 -5.027 -1.585 1.00 1.14 C ATOM 812 CE LYS A 70 -15.180 -4.022 -0.464 1.00 1.14 C ATOM 813 NZ LYS A 70 -15.519 -4.587 0.871 1.00 1.50 N ATOM 0 H LYS A 70 -12.274 -7.101 -3.050 1.00 0.52 H new ATOM 0 HA LYS A 70 -13.773 -8.894 -1.503 1.00 0.65 H new ATOM 0 HB2 LYS A 70 -14.560 -6.731 -3.487 1.00 0.87 H new ATOM 0 HB3 LYS A 70 -15.734 -7.596 -2.515 1.00 0.87 H new ATOM 0 HG2 LYS A 70 -14.728 -6.727 -0.454 1.00 1.09 H new ATOM 0 HG3 LYS A 70 -13.458 -5.942 -1.371 1.00 1.09 H new ATOM 0 HD2 LYS A 70 -15.169 -4.555 -2.543 1.00 1.14 H new ATOM 0 HD3 LYS A 70 -16.433 -5.334 -1.612 1.00 1.14 H new ATOM 0 HE2 LYS A 70 -14.141 -3.691 -0.463 1.00 1.14 H new ATOM 0 HE3 LYS A 70 -15.795 -3.142 -0.650 1.00 1.14 H new ATOM 0 HZ1 LYS A 70 -15.775 -3.815 1.520 1.00 1.50 H new ATOM 0 HZ2 LYS A 70 -16.322 -5.242 0.777 1.00 1.50 H new ATOM 0 HZ3 LYS A 70 -14.697 -5.099 1.250 1.00 1.50 H new ATOM 827 N LYS A 71 -13.554 -9.655 -4.569 1.00 0.62 N ATOM 828 CA LYS A 71 -13.924 -10.575 -5.629 1.00 0.76 C ATOM 829 C LYS A 71 -14.552 -11.846 -5.068 1.00 0.83 C ATOM 830 O LYS A 71 -15.665 -12.213 -5.444 1.00 1.03 O ATOM 831 CB LYS A 71 -12.683 -10.914 -6.459 1.00 0.84 C ATOM 832 CG LYS A 71 -12.925 -11.910 -7.582 1.00 1.26 C ATOM 833 CD LYS A 71 -11.661 -12.140 -8.399 1.00 1.71 C ATOM 834 CE LYS A 71 -10.516 -12.656 -7.537 1.00 2.27 C ATOM 835 NZ LYS A 71 -9.293 -12.926 -8.335 1.00 2.71 N ATOM 0 H LYS A 71 -12.662 -9.184 -4.723 1.00 0.62 H new ATOM 0 HA LYS A 71 -14.669 -10.095 -6.263 1.00 0.76 H new ATOM 0 HB2 LYS A 71 -12.286 -9.994 -6.887 1.00 0.84 H new ATOM 0 HB3 LYS A 71 -11.916 -11.314 -5.795 1.00 0.84 H new ATOM 0 HG2 LYS A 71 -13.268 -12.857 -7.164 1.00 1.26 H new ATOM 0 HG3 LYS A 71 -13.719 -11.543 -8.232 1.00 1.26 H new ATOM 0 HD2 LYS A 71 -11.868 -12.856 -9.195 1.00 1.71 H new ATOM 0 HD3 LYS A 71 -11.363 -11.207 -8.878 1.00 1.71 H new ATOM 0 HE2 LYS A 71 -10.288 -11.924 -6.762 1.00 2.27 H new ATOM 0 HE3 LYS A 71 -10.827 -13.570 -7.031 1.00 2.27 H new ATOM 0 HZ1 LYS A 71 -8.540 -13.275 -7.709 1.00 2.71 H new ATOM 0 HZ2 LYS A 71 -9.502 -13.643 -9.058 1.00 2.71 H new ATOM 0 HZ3 LYS A 71 -8.980 -12.049 -8.798 1.00 2.71 H new ATOM 917 N ALA A 77 -9.970 -6.948 3.491 1.00 0.55 N ATOM 918 CA ALA A 77 -8.549 -7.108 3.227 1.00 0.44 C ATOM 919 C ALA A 77 -7.744 -6.019 3.924 1.00 0.37 C ATOM 920 O ALA A 77 -8.309 -5.081 4.492 1.00 0.42 O ATOM 921 CB ALA A 77 -8.298 -7.064 1.727 1.00 0.71 C ATOM 0 HA ALA A 77 -8.228 -8.073 3.619 1.00 0.44 H new ATOM 0 HB1 ALA A 77 -7.232 -7.184 1.533 1.00 0.71 H new ATOM 0 HB2 ALA A 77 -8.848 -7.870 1.242 1.00 0.71 H new ATOM 0 HB3 ALA A 77 -8.633 -6.106 1.330 1.00 0.71 H new ATOM 927 N LYS A 78 -6.427 -6.156 3.893 1.00 0.35 N ATOM 928 CA LYS A 78 -5.545 -5.099 4.358 1.00 0.37 C ATOM 929 C LYS A 78 -4.863 -4.467 3.156 1.00 0.33 C ATOM 930 O LYS A 78 -4.351 -5.173 2.283 1.00 0.37 O ATOM 931 CB LYS A 78 -4.482 -5.619 5.336 1.00 0.50 C ATOM 932 CG LYS A 78 -5.019 -6.105 6.676 1.00 0.63 C ATOM 933 CD LYS A 78 -5.341 -7.590 6.654 1.00 0.89 C ATOM 934 CE LYS A 78 -5.657 -8.117 8.047 1.00 1.04 C ATOM 935 NZ LYS A 78 -4.485 -8.034 8.962 1.00 1.67 N ATOM 0 H LYS A 78 -5.947 -6.988 3.551 1.00 0.35 H new ATOM 0 HA LYS A 78 -6.148 -4.365 4.893 1.00 0.37 H new ATOM 0 HB2 LYS A 78 -3.942 -6.438 4.860 1.00 0.50 H new ATOM 0 HB3 LYS A 78 -3.759 -4.824 5.519 1.00 0.50 H new ATOM 0 HG2 LYS A 78 -4.284 -5.905 7.456 1.00 0.63 H new ATOM 0 HG3 LYS A 78 -5.917 -5.543 6.932 1.00 0.63 H new ATOM 0 HD2 LYS A 78 -6.191 -7.769 5.996 1.00 0.89 H new ATOM 0 HD3 LYS A 78 -4.496 -8.140 6.240 1.00 0.89 H new ATOM 0 HE2 LYS A 78 -6.486 -7.548 8.469 1.00 1.04 H new ATOM 0 HE3 LYS A 78 -5.986 -9.154 7.975 1.00 1.04 H new ATOM 0 HZ1 LYS A 78 -4.636 -8.662 9.777 1.00 1.67 H new ATOM 0 HZ2 LYS A 78 -3.626 -8.326 8.453 1.00 1.67 H new ATOM 0 HZ3 LYS A 78 -4.374 -7.055 9.296 1.00 1.67 H new ATOM 949 N ILE A 79 -4.873 -3.146 3.099 1.00 0.29 N ATOM 950 CA ILE A 79 -4.285 -2.428 1.976 1.00 0.29 C ATOM 951 C ILE A 79 -3.174 -1.510 2.468 1.00 0.29 C ATOM 952 O ILE A 79 -3.435 -0.563 3.197 1.00 0.40 O ATOM 953 CB ILE A 79 -5.338 -1.570 1.238 1.00 0.31 C ATOM 954 CG1 ILE A 79 -6.585 -2.395 0.888 1.00 0.37 C ATOM 955 CG2 ILE A 79 -4.736 -0.958 -0.019 1.00 0.35 C ATOM 956 CD1 ILE A 79 -6.326 -3.536 -0.073 1.00 0.49 C ATOM 0 H ILE A 79 -5.281 -2.547 3.816 1.00 0.29 H new ATOM 0 HA ILE A 79 -3.887 -3.172 1.286 1.00 0.29 H new ATOM 0 HB ILE A 79 -5.646 -0.767 1.908 1.00 0.31 H new ATOM 0 HG12 ILE A 79 -7.009 -2.799 1.807 1.00 0.37 H new ATOM 0 HG13 ILE A 79 -7.335 -1.733 0.455 1.00 0.37 H new ATOM 0 HG21 ILE A 79 -5.490 -0.357 -0.528 1.00 0.35 H new ATOM 0 HG22 ILE A 79 -3.891 -0.326 0.253 1.00 0.35 H new ATOM 0 HG23 ILE A 79 -4.396 -1.752 -0.684 1.00 0.35 H new ATOM 0 HD11 ILE A 79 -7.258 -4.067 -0.267 1.00 0.49 H new ATOM 0 HD12 ILE A 79 -5.932 -3.141 -1.009 1.00 0.49 H new ATOM 0 HD13 ILE A 79 -5.602 -4.223 0.365 1.00 0.49 H new ATOM 968 N LEU A 80 -1.943 -1.792 2.088 1.00 0.23 N ATOM 969 CA LEU A 80 -0.824 -0.944 2.474 1.00 0.28 C ATOM 970 C LEU A 80 -0.548 0.072 1.377 1.00 0.30 C ATOM 971 O LEU A 80 -0.396 -0.292 0.218 1.00 0.45 O ATOM 972 CB LEU A 80 0.430 -1.790 2.730 1.00 0.40 C ATOM 973 CG LEU A 80 1.626 -1.042 3.335 1.00 0.57 C ATOM 974 CD1 LEU A 80 1.346 -0.650 4.777 1.00 1.22 C ATOM 975 CD2 LEU A 80 2.884 -1.893 3.251 1.00 1.40 C ATOM 0 H LEU A 80 -1.689 -2.597 1.515 1.00 0.23 H new ATOM 0 HA LEU A 80 -1.083 -0.421 3.395 1.00 0.28 H new ATOM 0 HB2 LEU A 80 0.163 -2.610 3.397 1.00 0.40 H new ATOM 0 HB3 LEU A 80 0.744 -2.236 1.786 1.00 0.40 H new ATOM 0 HG LEU A 80 1.784 -0.131 2.758 1.00 0.57 H new ATOM 0 HD11 LEU A 80 2.208 -0.121 5.184 1.00 1.22 H new ATOM 0 HD12 LEU A 80 0.471 -0.001 4.814 1.00 1.22 H new ATOM 0 HD13 LEU A 80 1.158 -1.546 5.368 1.00 1.22 H new ATOM 0 HD21 LEU A 80 3.722 -1.347 3.684 1.00 1.40 H new ATOM 0 HD22 LEU A 80 2.732 -2.822 3.801 1.00 1.40 H new ATOM 0 HD23 LEU A 80 3.100 -2.121 2.207 1.00 1.40 H new ATOM 987 N ILE A 81 -0.516 1.344 1.729 1.00 0.27 N ATOM 988 CA ILE A 81 -0.144 2.373 0.772 1.00 0.27 C ATOM 989 C ILE A 81 1.188 2.985 1.177 1.00 0.27 C ATOM 990 O ILE A 81 1.256 3.829 2.070 1.00 0.33 O ATOM 991 CB ILE A 81 -1.220 3.477 0.635 1.00 0.29 C ATOM 992 CG1 ILE A 81 -2.547 2.871 0.163 1.00 0.28 C ATOM 993 CG2 ILE A 81 -0.756 4.552 -0.342 1.00 0.34 C ATOM 994 CD1 ILE A 81 -3.672 3.878 0.024 1.00 0.38 C ATOM 0 H ILE A 81 -0.741 1.689 2.662 1.00 0.27 H new ATOM 0 HA ILE A 81 -0.056 1.897 -0.204 1.00 0.27 H new ATOM 0 HB ILE A 81 -1.372 3.936 1.612 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -2.390 2.383 -0.799 1.00 0.28 H new ATOM 0 HG13 ILE A 81 -2.852 2.097 0.867 1.00 0.28 H new ATOM 0 HG21 ILE A 81 -1.523 5.321 -0.428 1.00 0.34 H new ATOM 0 HG22 ILE A 81 0.168 5.000 0.022 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.581 4.104 -1.320 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.575 3.370 -0.314 1.00 0.38 H new ATOM 0 HD12 ILE A 81 -3.860 4.349 0.989 1.00 0.38 H new ATOM 0 HD13 ILE A 81 -3.391 4.640 -0.703 1.00 0.38 H new ATOM 1006 N LEU A 82 2.241 2.532 0.524 1.00 0.27 N ATOM 1007 CA LEU A 82 3.595 2.946 0.844 1.00 0.31 C ATOM 1008 C LEU A 82 3.981 4.139 -0.026 1.00 0.34 C ATOM 1009 O LEU A 82 4.147 4.005 -1.231 1.00 0.59 O ATOM 1010 CB LEU A 82 4.545 1.760 0.607 1.00 0.43 C ATOM 1011 CG LEU A 82 5.877 1.778 1.369 1.00 0.76 C ATOM 1012 CD1 LEU A 82 6.764 2.921 0.909 1.00 1.61 C ATOM 1013 CD2 LEU A 82 5.632 1.859 2.869 1.00 1.08 C ATOM 0 H LEU A 82 2.182 1.865 -0.245 1.00 0.27 H new ATOM 0 HA LEU A 82 3.664 3.250 1.889 1.00 0.31 H new ATOM 0 HB2 LEU A 82 4.016 0.843 0.869 1.00 0.43 H new ATOM 0 HB3 LEU A 82 4.764 1.708 -0.459 1.00 0.43 H new ATOM 0 HG LEU A 82 6.399 0.846 1.151 1.00 0.76 H new ATOM 0 HD11 LEU A 82 7.699 2.904 1.469 1.00 1.61 H new ATOM 0 HD12 LEU A 82 6.976 2.812 -0.155 1.00 1.61 H new ATOM 0 HD13 LEU A 82 6.255 3.869 1.082 1.00 1.61 H new ATOM 0 HD21 LEU A 82 6.587 1.871 3.394 1.00 1.08 H new ATOM 0 HD22 LEU A 82 5.081 2.771 3.099 1.00 1.08 H new ATOM 0 HD23 LEU A 82 5.052 0.994 3.190 1.00 1.08 H new ATOM 1025 N LEU A 83 4.112 5.304 0.577 1.00 0.35 N ATOM 1026 CA LEU A 83 4.433 6.507 -0.175 1.00 0.42 C ATOM 1027 C LEU A 83 5.316 7.439 0.626 1.00 0.44 C ATOM 1028 O LEU A 83 5.653 7.155 1.772 1.00 0.55 O ATOM 1029 CB LEU A 83 3.143 7.232 -0.594 1.00 0.45 C ATOM 1030 CG LEU A 83 2.021 7.302 0.457 1.00 0.49 C ATOM 1031 CD1 LEU A 83 2.410 8.178 1.638 1.00 1.17 C ATOM 1032 CD2 LEU A 83 0.740 7.818 -0.178 1.00 1.13 C ATOM 0 H LEU A 83 4.002 5.446 1.581 1.00 0.35 H new ATOM 0 HA LEU A 83 4.982 6.207 -1.068 1.00 0.42 H new ATOM 0 HB2 LEU A 83 3.403 8.250 -0.884 1.00 0.45 H new ATOM 0 HB3 LEU A 83 2.748 6.739 -1.482 1.00 0.45 H new ATOM 0 HG LEU A 83 1.856 6.292 0.833 1.00 0.49 H new ATOM 0 HD11 LEU A 83 1.592 8.202 2.358 1.00 1.17 H new ATOM 0 HD12 LEU A 83 3.301 7.771 2.115 1.00 1.17 H new ATOM 0 HD13 LEU A 83 2.616 9.190 1.288 1.00 1.17 H new ATOM 0 HD21 LEU A 83 -0.047 7.863 0.575 1.00 1.13 H new ATOM 0 HD22 LEU A 83 0.911 8.815 -0.584 1.00 1.13 H new ATOM 0 HD23 LEU A 83 0.436 7.146 -0.981 1.00 1.13 H new ATOM 1044 N GLU A 84 5.702 8.544 0.016 1.00 0.43 N ATOM 1045 CA GLU A 84 6.324 9.618 0.753 1.00 0.45 C ATOM 1046 C GLU A 84 5.439 10.845 0.638 1.00 0.47 C ATOM 1047 O GLU A 84 5.404 11.521 -0.393 1.00 0.54 O ATOM 1048 CB GLU A 84 7.739 9.892 0.228 1.00 0.55 C ATOM 1049 CG GLU A 84 7.814 10.104 -1.277 1.00 1.29 C ATOM 1050 CD GLU A 84 9.229 10.310 -1.760 1.00 1.47 C ATOM 1051 OE1 GLU A 84 9.887 9.311 -2.116 1.00 1.94 O ATOM 1052 OE2 GLU A 84 9.692 11.469 -1.796 1.00 2.04 O ATOM 0 H GLU A 84 5.595 8.717 -0.983 1.00 0.43 H new ATOM 0 HA GLU A 84 6.428 9.343 1.803 1.00 0.45 H new ATOM 0 HB2 GLU A 84 8.136 10.775 0.729 1.00 0.55 H new ATOM 0 HB3 GLU A 84 8.383 9.056 0.499 1.00 0.55 H new ATOM 0 HG2 GLU A 84 7.382 9.242 -1.784 1.00 1.29 H new ATOM 0 HG3 GLU A 84 7.210 10.970 -1.550 1.00 1.29 H new ATOM 1059 N LYS A 85 4.706 11.103 1.700 1.00 0.45 N ATOM 1060 CA LYS A 85 3.749 12.188 1.734 1.00 0.56 C ATOM 1061 C LYS A 85 3.189 12.310 3.142 1.00 0.53 C ATOM 1062 O LYS A 85 2.793 11.304 3.732 1.00 0.53 O ATOM 1063 CB LYS A 85 2.624 11.906 0.731 1.00 0.74 C ATOM 1064 CG LYS A 85 1.642 13.050 0.549 1.00 1.00 C ATOM 1065 CD LYS A 85 0.600 12.717 -0.509 1.00 0.91 C ATOM 1066 CE LYS A 85 1.209 12.634 -1.903 1.00 1.66 C ATOM 1067 NZ LYS A 85 0.174 12.389 -2.942 1.00 2.02 N ATOM 0 H LYS A 85 4.757 10.565 2.565 1.00 0.45 H new ATOM 0 HA LYS A 85 4.233 13.126 1.461 1.00 0.56 H new ATOM 0 HB2 LYS A 85 3.067 11.667 -0.236 1.00 0.74 H new ATOM 0 HB3 LYS A 85 2.076 11.022 1.058 1.00 0.74 H new ATOM 0 HG2 LYS A 85 1.147 13.262 1.497 1.00 1.00 H new ATOM 0 HG3 LYS A 85 2.181 13.953 0.261 1.00 1.00 H new ATOM 0 HD2 LYS A 85 0.125 11.767 -0.264 1.00 0.91 H new ATOM 0 HD3 LYS A 85 -0.182 13.476 -0.500 1.00 0.91 H new ATOM 0 HE2 LYS A 85 1.736 13.562 -2.126 1.00 1.66 H new ATOM 0 HE3 LYS A 85 1.948 11.833 -1.930 1.00 1.66 H new ATOM 0 HZ1 LYS A 85 0.531 12.700 -3.868 1.00 2.02 H new ATOM 0 HZ2 LYS A 85 -0.046 11.373 -2.980 1.00 2.02 H new ATOM 0 HZ3 LYS A 85 -0.688 12.922 -2.706 1.00 2.02 H new ATOM 1081 N PRO A 86 3.173 13.516 3.718 1.00 0.60 N ATOM 1082 CA PRO A 86 2.576 13.737 5.035 1.00 0.62 C ATOM 1083 C PRO A 86 1.106 13.338 5.036 1.00 0.61 C ATOM 1084 O PRO A 86 0.306 13.897 4.287 1.00 0.68 O ATOM 1085 CB PRO A 86 2.725 15.245 5.257 1.00 0.74 C ATOM 1086 CG PRO A 86 3.816 15.664 4.332 1.00 0.85 C ATOM 1087 CD PRO A 86 3.732 14.749 3.146 1.00 0.74 C ATOM 0 HA PRO A 86 3.052 13.145 5.817 1.00 0.62 H new ATOM 0 HB2 PRO A 86 1.796 15.770 5.036 1.00 0.74 H new ATOM 0 HB3 PRO A 86 2.978 15.468 6.293 1.00 0.74 H new ATOM 0 HG2 PRO A 86 3.693 16.704 4.031 1.00 0.85 H new ATOM 0 HG3 PRO A 86 4.789 15.585 4.817 1.00 0.85 H new ATOM 0 HD2 PRO A 86 3.091 15.158 2.365 1.00 0.74 H new ATOM 0 HD3 PRO A 86 4.711 14.578 2.698 1.00 0.74 H new ATOM 1095 N VAL A 87 0.755 12.370 5.864 1.00 0.59 N ATOM 1096 CA VAL A 87 -0.599 11.844 5.876 1.00 0.62 C ATOM 1097 C VAL A 87 -1.284 12.085 7.215 1.00 0.62 C ATOM 1098 O VAL A 87 -0.755 11.748 8.277 1.00 0.66 O ATOM 1099 CB VAL A 87 -0.630 10.334 5.537 1.00 0.69 C ATOM 1100 CG1 VAL A 87 -0.303 10.108 4.068 1.00 1.17 C ATOM 1101 CG2 VAL A 87 0.339 9.556 6.419 1.00 0.88 C ATOM 0 H VAL A 87 1.387 11.933 6.535 1.00 0.59 H new ATOM 0 HA VAL A 87 -1.147 12.383 5.104 1.00 0.62 H new ATOM 0 HB VAL A 87 -1.638 9.968 5.731 1.00 0.69 H new ATOM 0 HG11 VAL A 87 -0.330 9.040 3.849 1.00 1.17 H new ATOM 0 HG12 VAL A 87 -1.037 10.624 3.448 1.00 1.17 H new ATOM 0 HG13 VAL A 87 0.692 10.498 3.853 1.00 1.17 H new ATOM 0 HG21 VAL A 87 0.297 8.498 6.160 1.00 0.88 H new ATOM 0 HG22 VAL A 87 1.352 9.928 6.263 1.00 0.88 H new ATOM 0 HG23 VAL A 87 0.062 9.685 7.465 1.00 0.88 H new ATOM 1111 N SER A 88 -2.452 12.697 7.156 1.00 0.69 N ATOM 1112 CA SER A 88 -3.261 12.913 8.338 1.00 0.76 C ATOM 1113 C SER A 88 -4.358 11.852 8.423 1.00 0.72 C ATOM 1114 O SER A 88 -4.807 11.359 7.387 1.00 0.69 O ATOM 1115 CB SER A 88 -3.870 14.318 8.303 1.00 0.92 C ATOM 1116 OG SER A 88 -2.858 15.311 8.241 1.00 1.44 O ATOM 0 H SER A 88 -2.863 13.055 6.294 1.00 0.69 H new ATOM 0 HA SER A 88 -2.631 12.829 9.224 1.00 0.76 H new ATOM 0 HB2 SER A 88 -4.529 14.411 7.440 1.00 0.92 H new ATOM 0 HB3 SER A 88 -4.484 14.474 9.190 1.00 0.92 H new ATOM 0 HG SER A 88 -3.272 16.199 8.218 1.00 1.44 H new ATOM 1122 N PRO A 89 -4.772 11.458 9.639 1.00 0.78 N ATOM 1123 CA PRO A 89 -5.794 10.418 9.841 1.00 0.79 C ATOM 1124 C PRO A 89 -6.997 10.565 8.907 1.00 0.67 C ATOM 1125 O PRO A 89 -7.434 9.592 8.288 1.00 0.65 O ATOM 1126 CB PRO A 89 -6.213 10.633 11.292 1.00 0.98 C ATOM 1127 CG PRO A 89 -4.991 11.158 11.958 1.00 1.14 C ATOM 1128 CD PRO A 89 -4.265 11.979 10.924 1.00 0.92 C ATOM 0 HA PRO A 89 -5.407 9.422 9.626 1.00 0.79 H new ATOM 0 HB2 PRO A 89 -7.040 11.339 11.366 1.00 0.98 H new ATOM 0 HB3 PRO A 89 -6.547 9.702 11.751 1.00 0.98 H new ATOM 0 HG2 PRO A 89 -5.251 11.766 12.824 1.00 1.14 H new ATOM 0 HG3 PRO A 89 -4.363 10.343 12.318 1.00 1.14 H new ATOM 0 HD2 PRO A 89 -4.478 13.042 11.036 1.00 0.92 H new ATOM 0 HD3 PRO A 89 -3.185 11.860 11.005 1.00 0.92 H new ATOM 1136 N GLU A 90 -7.504 11.790 8.788 1.00 0.71 N ATOM 1137 CA GLU A 90 -8.667 12.072 7.950 1.00 0.72 C ATOM 1138 C GLU A 90 -8.405 11.687 6.493 1.00 0.64 C ATOM 1139 O GLU A 90 -9.263 11.101 5.832 1.00 0.68 O ATOM 1140 CB GLU A 90 -9.031 13.554 8.049 1.00 0.87 C ATOM 1141 CG GLU A 90 -10.313 13.921 7.321 1.00 1.24 C ATOM 1142 CD GLU A 90 -10.640 15.392 7.437 1.00 1.76 C ATOM 1143 OE1 GLU A 90 -10.308 16.157 6.506 1.00 2.43 O ATOM 1144 OE2 GLU A 90 -11.230 15.796 8.460 1.00 2.37 O ATOM 0 H GLU A 90 -7.125 12.608 9.265 1.00 0.71 H new ATOM 0 HA GLU A 90 -9.502 11.471 8.310 1.00 0.72 H new ATOM 0 HB2 GLU A 90 -9.131 13.824 9.100 1.00 0.87 H new ATOM 0 HB3 GLU A 90 -8.212 14.148 7.644 1.00 0.87 H new ATOM 0 HG2 GLU A 90 -10.219 13.654 6.268 1.00 1.24 H new ATOM 0 HG3 GLU A 90 -11.138 13.335 7.726 1.00 1.24 H new ATOM 1151 N TYR A 91 -7.210 11.998 6.004 1.00 0.62 N ATOM 1152 CA TYR A 91 -6.838 11.670 4.634 1.00 0.62 C ATOM 1153 C TYR A 91 -6.719 10.158 4.463 1.00 0.52 C ATOM 1154 O TYR A 91 -7.140 9.605 3.447 1.00 0.52 O ATOM 1155 CB TYR A 91 -5.524 12.359 4.252 1.00 0.72 C ATOM 1156 CG TYR A 91 -4.972 11.925 2.910 1.00 1.20 C ATOM 1157 CD1 TYR A 91 -5.698 12.118 1.741 1.00 1.63 C ATOM 1158 CD2 TYR A 91 -3.727 11.316 2.815 1.00 2.22 C ATOM 1159 CE1 TYR A 91 -5.201 11.713 0.517 1.00 2.36 C ATOM 1160 CE2 TYR A 91 -3.222 10.912 1.595 1.00 3.00 C ATOM 1161 CZ TYR A 91 -3.962 11.111 0.450 1.00 2.89 C ATOM 1162 OH TYR A 91 -3.463 10.702 -0.766 1.00 3.78 O ATOM 0 H TYR A 91 -6.483 12.477 6.536 1.00 0.62 H new ATOM 0 HA TYR A 91 -7.621 12.033 3.968 1.00 0.62 H new ATOM 0 HB2 TYR A 91 -5.681 13.438 4.238 1.00 0.72 H new ATOM 0 HB3 TYR A 91 -4.781 12.155 5.023 1.00 0.72 H new ATOM 0 HD1 TYR A 91 -6.667 12.593 1.790 1.00 1.63 H new ATOM 0 HD2 TYR A 91 -3.144 11.156 3.710 1.00 2.22 H new ATOM 0 HE1 TYR A 91 -5.779 11.867 -0.382 1.00 2.36 H new ATOM 0 HE2 TYR A 91 -2.251 10.442 1.539 1.00 3.00 H new ATOM 0 HH TYR A 91 -2.579 10.298 -0.638 1.00 3.78 H new ATOM 1172 N GLU A 92 -6.166 9.493 5.469 1.00 0.48 N ATOM 1173 CA GLU A 92 -6.059 8.042 5.453 1.00 0.42 C ATOM 1174 C GLU A 92 -7.448 7.417 5.427 1.00 0.42 C ATOM 1175 O GLU A 92 -7.677 6.397 4.781 1.00 0.43 O ATOM 1176 CB GLU A 92 -5.284 7.551 6.675 1.00 0.48 C ATOM 1177 CG GLU A 92 -5.250 6.039 6.795 1.00 0.49 C ATOM 1178 CD GLU A 92 -4.547 5.566 8.046 1.00 0.65 C ATOM 1179 OE1 GLU A 92 -3.350 5.230 7.970 1.00 1.46 O ATOM 1180 OE2 GLU A 92 -5.187 5.529 9.118 1.00 1.14 O ATOM 0 H GLU A 92 -5.785 9.936 6.305 1.00 0.48 H new ATOM 0 HA GLU A 92 -5.518 7.742 4.556 1.00 0.42 H new ATOM 0 HB2 GLU A 92 -4.262 7.928 6.624 1.00 0.48 H new ATOM 0 HB3 GLU A 92 -5.734 7.970 7.575 1.00 0.48 H new ATOM 0 HG2 GLU A 92 -6.270 5.656 6.790 1.00 0.49 H new ATOM 0 HG3 GLU A 92 -4.749 5.621 5.922 1.00 0.49 H new ATOM 1187 N LYS A 93 -8.376 8.061 6.117 1.00 0.47 N ATOM 1188 CA LYS A 93 -9.747 7.601 6.188 1.00 0.54 C ATOM 1189 C LYS A 93 -10.416 7.738 4.827 1.00 0.53 C ATOM 1190 O LYS A 93 -11.250 6.920 4.456 1.00 0.55 O ATOM 1191 CB LYS A 93 -10.512 8.401 7.242 1.00 0.69 C ATOM 1192 CG LYS A 93 -11.912 7.886 7.503 1.00 1.51 C ATOM 1193 CD LYS A 93 -12.595 8.679 8.600 1.00 2.25 C ATOM 1194 CE LYS A 93 -13.931 8.065 8.978 1.00 2.80 C ATOM 1195 NZ LYS A 93 -13.775 6.683 9.511 1.00 3.25 N ATOM 0 H LYS A 93 -8.196 8.917 6.642 1.00 0.47 H new ATOM 0 HA LYS A 93 -9.755 6.549 6.474 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -9.949 8.386 8.175 1.00 0.69 H new ATOM 0 HB3 LYS A 93 -10.571 9.441 6.923 1.00 0.69 H new ATOM 0 HG2 LYS A 93 -12.501 7.946 6.588 1.00 1.51 H new ATOM 0 HG3 LYS A 93 -11.868 6.834 7.785 1.00 1.51 H new ATOM 0 HD2 LYS A 93 -11.950 8.719 9.478 1.00 2.25 H new ATOM 0 HD3 LYS A 93 -12.746 9.706 8.268 1.00 2.25 H new ATOM 0 HE2 LYS A 93 -14.419 8.690 9.726 1.00 2.80 H new ATOM 0 HE3 LYS A 93 -14.582 8.046 8.104 1.00 2.80 H new ATOM 0 HZ1 LYS A 93 -14.634 6.413 10.032 1.00 3.25 H new ATOM 0 HZ2 LYS A 93 -13.626 6.022 8.722 1.00 3.25 H new ATOM 0 HZ3 LYS A 93 -12.956 6.648 10.151 1.00 3.25 H new ATOM 1209 N LYS A 94 -10.035 8.774 4.087 1.00 0.54 N ATOM 1210 CA LYS A 94 -10.529 8.963 2.730 1.00 0.59 C ATOM 1211 C LYS A 94 -9.976 7.877 1.814 1.00 0.52 C ATOM 1212 O LYS A 94 -10.638 7.443 0.876 1.00 0.57 O ATOM 1213 CB LYS A 94 -10.145 10.344 2.195 1.00 0.67 C ATOM 1214 CG LYS A 94 -10.791 11.493 2.954 1.00 1.19 C ATOM 1215 CD LYS A 94 -10.376 12.844 2.389 1.00 1.48 C ATOM 1216 CE LYS A 94 -10.868 13.038 0.963 1.00 1.97 C ATOM 1217 NZ LYS A 94 -10.475 14.362 0.411 1.00 2.44 N ATOM 0 H LYS A 94 -9.386 9.494 4.405 1.00 0.54 H new ATOM 0 HA LYS A 94 -11.617 8.894 2.751 1.00 0.59 H new ATOM 0 HB2 LYS A 94 -9.061 10.453 2.240 1.00 0.67 H new ATOM 0 HB3 LYS A 94 -10.428 10.409 1.144 1.00 0.67 H new ATOM 0 HG2 LYS A 94 -11.876 11.396 2.907 1.00 1.19 H new ATOM 0 HG3 LYS A 94 -10.512 11.437 4.006 1.00 1.19 H new ATOM 0 HD2 LYS A 94 -10.772 13.639 3.021 1.00 1.48 H new ATOM 0 HD3 LYS A 94 -9.290 12.929 2.413 1.00 1.48 H new ATOM 0 HE2 LYS A 94 -10.465 12.248 0.330 1.00 1.97 H new ATOM 0 HE3 LYS A 94 -11.954 12.943 0.938 1.00 1.97 H new ATOM 0 HZ1 LYS A 94 -10.831 14.452 -0.562 1.00 2.44 H new ATOM 0 HZ2 LYS A 94 -10.881 15.118 0.999 1.00 2.44 H new ATOM 0 HZ3 LYS A 94 -9.438 14.444 0.410 1.00 2.44 H new ATOM 1231 N LEU A 95 -8.761 7.433 2.104 1.00 0.47 N ATOM 1232 CA LEU A 95 -8.145 6.349 1.353 1.00 0.45 C ATOM 1233 C LEU A 95 -8.798 5.018 1.722 1.00 0.39 C ATOM 1234 O LEU A 95 -9.019 4.165 0.861 1.00 0.41 O ATOM 1235 CB LEU A 95 -6.637 6.319 1.612 1.00 0.46 C ATOM 1236 CG LEU A 95 -5.887 7.582 1.170 1.00 0.54 C ATOM 1237 CD1 LEU A 95 -4.436 7.535 1.612 1.00 1.14 C ATOM 1238 CD2 LEU A 95 -5.969 7.754 -0.339 1.00 1.12 C ATOM 0 H LEU A 95 -8.182 7.808 2.855 1.00 0.47 H new ATOM 0 HA LEU A 95 -8.300 6.517 0.287 1.00 0.45 H new ATOM 0 HB2 LEU A 95 -6.468 6.166 2.678 1.00 0.46 H new ATOM 0 HB3 LEU A 95 -6.210 5.459 1.095 1.00 0.46 H new ATOM 0 HG LEU A 95 -6.364 8.438 1.647 1.00 0.54 H new ATOM 0 HD11 LEU A 95 -3.927 8.442 1.286 1.00 1.14 H new ATOM 0 HD12 LEU A 95 -4.389 7.463 2.699 1.00 1.14 H new ATOM 0 HD13 LEU A 95 -3.949 6.666 1.169 1.00 1.14 H new ATOM 0 HD21 LEU A 95 -5.431 8.655 -0.632 1.00 1.12 H new ATOM 0 HD22 LEU A 95 -5.522 6.889 -0.829 1.00 1.12 H new ATOM 0 HD23 LEU A 95 -7.013 7.841 -0.639 1.00 1.12 H new ATOM 1250 N GLN A 96 -9.123 4.859 3.004 1.00 0.37 N ATOM 1251 CA GLN A 96 -9.897 3.709 3.468 1.00 0.40 C ATOM 1252 C GLN A 96 -11.328 3.796 2.932 1.00 0.45 C ATOM 1253 O GLN A 96 -12.059 2.807 2.896 1.00 0.49 O ATOM 1254 CB GLN A 96 -9.923 3.646 5.005 1.00 0.53 C ATOM 1255 CG GLN A 96 -8.567 3.380 5.654 1.00 0.60 C ATOM 1256 CD GLN A 96 -8.568 3.658 7.145 1.00 1.30 C ATOM 1257 OE1 GLN A 96 -9.327 4.494 7.635 1.00 1.79 O ATOM 1258 NE2 GLN A 96 -7.692 2.982 7.872 1.00 2.20 N ATOM 0 H GLN A 96 -8.862 5.514 3.741 1.00 0.37 H new ATOM 0 HA GLN A 96 -9.420 2.803 3.094 1.00 0.40 H new ATOM 0 HB2 GLN A 96 -10.315 4.588 5.387 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -10.617 2.864 5.312 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -8.284 2.342 5.482 1.00 0.60 H new ATOM 0 HG3 GLN A 96 -7.811 4.000 5.173 1.00 0.60 H new ATOM 0 HE21 GLN A 96 -7.081 2.297 7.427 1.00 2.20 H new ATOM 0 HE22 GLN A 96 -7.629 3.146 8.877 1.00 2.20 H new ATOM 1267 N LYS A 97 -11.722 5.004 2.545 1.00 0.52 N ATOM 1268 CA LYS A 97 -13.033 5.239 1.953 1.00 0.64 C ATOM 1269 C LYS A 97 -13.052 4.839 0.475 1.00 0.65 C ATOM 1270 O LYS A 97 -14.052 4.315 -0.019 1.00 0.72 O ATOM 1271 CB LYS A 97 -13.421 6.713 2.095 1.00 0.78 C ATOM 1272 CG LYS A 97 -14.809 7.040 1.570 1.00 1.44 C ATOM 1273 CD LYS A 97 -15.067 8.537 1.583 1.00 1.95 C ATOM 1274 CE LYS A 97 -16.494 8.863 1.178 1.00 2.39 C ATOM 1275 NZ LYS A 97 -17.487 8.258 2.105 1.00 2.87 N ATOM 0 H LYS A 97 -11.147 5.842 2.632 1.00 0.52 H new ATOM 0 HA LYS A 97 -13.757 4.622 2.486 1.00 0.64 H new ATOM 0 HB2 LYS A 97 -13.366 6.993 3.147 1.00 0.78 H new ATOM 0 HB3 LYS A 97 -12.690 7.323 1.565 1.00 0.78 H new ATOM 0 HG2 LYS A 97 -14.914 6.660 0.554 1.00 1.44 H new ATOM 0 HG3 LYS A 97 -15.559 6.535 2.179 1.00 1.44 H new ATOM 0 HD2 LYS A 97 -14.872 8.931 2.580 1.00 1.95 H new ATOM 0 HD3 LYS A 97 -14.373 9.032 0.903 1.00 1.95 H new ATOM 0 HE2 LYS A 97 -16.628 9.945 1.159 1.00 2.39 H new ATOM 0 HE3 LYS A 97 -16.675 8.502 0.166 1.00 2.39 H new ATOM 0 HZ1 LYS A 97 -18.412 8.712 1.967 1.00 2.87 H new ATOM 0 HZ2 LYS A 97 -17.568 7.240 1.910 1.00 2.87 H new ATOM 0 HZ3 LYS A 97 -17.176 8.399 3.087 1.00 2.87 H new ATOM 1289 N TYR A 98 -11.954 5.098 -0.233 1.00 0.63 N ATOM 1290 CA TYR A 98 -11.865 4.759 -1.654 1.00 0.68 C ATOM 1291 C TYR A 98 -11.952 3.250 -1.849 1.00 0.64 C ATOM 1292 O TYR A 98 -12.719 2.763 -2.679 1.00 0.73 O ATOM 1293 CB TYR A 98 -10.567 5.288 -2.275 1.00 0.71 C ATOM 1294 CG TYR A 98 -10.428 6.796 -2.247 1.00 1.02 C ATOM 1295 CD1 TYR A 98 -9.196 7.387 -2.004 1.00 1.91 C ATOM 1296 CD2 TYR A 98 -11.523 7.630 -2.457 1.00 1.78 C ATOM 1297 CE1 TYR A 98 -9.053 8.762 -1.973 1.00 2.65 C ATOM 1298 CE2 TYR A 98 -11.388 9.006 -2.427 1.00 2.50 C ATOM 1299 CZ TYR A 98 -10.152 9.566 -2.183 1.00 2.73 C ATOM 1300 OH TYR A 98 -10.007 10.936 -2.154 1.00 3.64 O ATOM 0 H TYR A 98 -11.118 5.539 0.150 1.00 0.63 H new ATOM 0 HA TYR A 98 -12.705 5.236 -2.159 1.00 0.68 H new ATOM 0 HB2 TYR A 98 -9.721 4.848 -1.748 1.00 0.71 H new ATOM 0 HB3 TYR A 98 -10.509 4.949 -3.309 1.00 0.71 H new ATOM 0 HD1 TYR A 98 -8.332 6.761 -1.836 1.00 1.91 H new ATOM 0 HD2 TYR A 98 -12.493 7.195 -2.646 1.00 1.78 H new ATOM 0 HE1 TYR A 98 -8.085 9.203 -1.785 1.00 2.65 H new ATOM 0 HE2 TYR A 98 -12.247 9.639 -2.594 1.00 2.50 H new ATOM 0 HH TYR A 98 -10.874 11.360 -2.321 1.00 3.64 H new ATOM 1310 N ALA A 99 -11.167 2.517 -1.077 1.00 0.56 N ATOM 1311 CA ALA A 99 -11.205 1.065 -1.108 1.00 0.56 C ATOM 1312 C ALA A 99 -11.645 0.538 0.242 1.00 0.52 C ATOM 1313 O ALA A 99 -10.985 0.785 1.252 1.00 0.60 O ATOM 1314 CB ALA A 99 -9.845 0.503 -1.476 1.00 0.59 C ATOM 0 H ALA A 99 -10.493 2.906 -0.418 1.00 0.56 H new ATOM 0 HA ALA A 99 -11.920 0.747 -1.866 1.00 0.56 H new ATOM 0 HB1 ALA A 99 -9.894 -0.586 -1.494 1.00 0.59 H new ATOM 0 HB2 ALA A 99 -9.554 0.869 -2.461 1.00 0.59 H new ATOM 0 HB3 ALA A 99 -9.108 0.821 -0.738 1.00 0.59 H new ATOM 1320 N ASP A 100 -12.752 -0.188 0.269 1.00 0.54 N ATOM 1321 CA ASP A 100 -13.298 -0.646 1.535 1.00 0.53 C ATOM 1322 C ASP A 100 -12.489 -1.813 2.058 1.00 0.47 C ATOM 1323 O ASP A 100 -12.633 -2.958 1.617 1.00 0.51 O ATOM 1324 CB ASP A 100 -14.766 -1.047 1.399 1.00 0.66 C ATOM 1325 CG ASP A 100 -15.340 -1.562 2.705 1.00 0.99 C ATOM 1326 OD1 ASP A 100 -15.589 -0.740 3.610 1.00 1.77 O ATOM 1327 OD2 ASP A 100 -15.552 -2.789 2.830 1.00 1.73 O ATOM 0 H ASP A 100 -13.282 -0.468 -0.556 1.00 0.54 H new ATOM 0 HA ASP A 100 -13.240 0.181 2.243 1.00 0.53 H new ATOM 0 HB2 ASP A 100 -15.346 -0.188 1.062 1.00 0.66 H new ATOM 0 HB3 ASP A 100 -14.862 -1.816 0.633 1.00 0.66 H new ATOM 1332 N ALA A 101 -11.657 -1.485 3.018 1.00 0.42 N ATOM 1333 CA ALA A 101 -10.770 -2.415 3.675 1.00 0.39 C ATOM 1334 C ALA A 101 -10.092 -1.663 4.785 1.00 0.37 C ATOM 1335 O ALA A 101 -10.446 -0.516 5.063 1.00 0.50 O ATOM 1336 CB ALA A 101 -9.749 -2.970 2.691 1.00 0.43 C ATOM 0 H ALA A 101 -11.576 -0.533 3.375 1.00 0.42 H new ATOM 0 HA ALA A 101 -11.324 -3.267 4.071 1.00 0.39 H new ATOM 0 HB1 ALA A 101 -9.090 -3.669 3.206 1.00 0.43 H new ATOM 0 HB2 ALA A 101 -10.266 -3.487 1.883 1.00 0.43 H new ATOM 0 HB3 ALA A 101 -9.159 -2.152 2.279 1.00 0.43 H new ATOM 1342 N GLU A 102 -9.121 -2.270 5.416 1.00 0.31 N ATOM 1343 CA GLU A 102 -8.340 -1.542 6.374 1.00 0.31 C ATOM 1344 C GLU A 102 -7.044 -1.102 5.728 1.00 0.29 C ATOM 1345 O GLU A 102 -6.059 -1.842 5.686 1.00 0.36 O ATOM 1346 CB GLU A 102 -8.086 -2.360 7.621 1.00 0.41 C ATOM 1347 CG GLU A 102 -9.350 -2.953 8.221 1.00 0.76 C ATOM 1348 CD GLU A 102 -9.130 -3.516 9.606 1.00 1.16 C ATOM 1349 OE1 GLU A 102 -8.690 -4.678 9.721 1.00 1.77 O ATOM 1350 OE2 GLU A 102 -9.400 -2.798 10.593 1.00 1.77 O ATOM 0 H GLU A 102 -8.858 -3.247 5.286 1.00 0.31 H new ATOM 0 HA GLU A 102 -8.898 -0.660 6.689 1.00 0.31 H new ATOM 0 HB2 GLU A 102 -7.393 -3.167 7.383 1.00 0.41 H new ATOM 0 HB3 GLU A 102 -7.599 -1.731 8.366 1.00 0.41 H new ATOM 0 HG2 GLU A 102 -10.122 -2.185 8.264 1.00 0.76 H new ATOM 0 HG3 GLU A 102 -9.722 -3.742 7.567 1.00 0.76 H new ATOM 1357 N VAL A 103 -7.077 0.099 5.178 1.00 0.27 N ATOM 1358 CA VAL A 103 -5.939 0.647 4.475 1.00 0.32 C ATOM 1359 C VAL A 103 -4.951 1.249 5.462 1.00 0.32 C ATOM 1360 O VAL A 103 -5.279 2.175 6.203 1.00 0.38 O ATOM 1361 CB VAL A 103 -6.363 1.732 3.460 1.00 0.44 C ATOM 1362 CG1 VAL A 103 -5.209 2.115 2.561 1.00 0.70 C ATOM 1363 CG2 VAL A 103 -7.534 1.274 2.615 1.00 1.05 C ATOM 0 H VAL A 103 -7.889 0.715 5.208 1.00 0.27 H new ATOM 0 HA VAL A 103 -5.470 -0.172 3.930 1.00 0.32 H new ATOM 0 HB VAL A 103 -6.670 2.605 4.036 1.00 0.44 H new ATOM 0 HG11 VAL A 103 -5.535 2.880 1.856 1.00 0.70 H new ATOM 0 HG12 VAL A 103 -4.390 2.504 3.166 1.00 0.70 H new ATOM 0 HG13 VAL A 103 -4.869 1.237 2.012 1.00 0.70 H new ATOM 0 HG21 VAL A 103 -7.806 2.062 1.912 1.00 1.05 H new ATOM 0 HG22 VAL A 103 -7.256 0.376 2.064 1.00 1.05 H new ATOM 0 HG23 VAL A 103 -8.385 1.054 3.260 1.00 1.05 H new ATOM 1373 N ARG A 104 -3.755 0.694 5.482 1.00 0.33 N ATOM 1374 CA ARG A 104 -2.671 1.231 6.276 1.00 0.37 C ATOM 1375 C ARG A 104 -1.739 2.014 5.376 1.00 0.33 C ATOM 1376 O ARG A 104 -0.940 1.440 4.638 1.00 0.38 O ATOM 1377 CB ARG A 104 -1.893 0.119 6.974 1.00 0.46 C ATOM 1378 CG ARG A 104 -2.671 -0.590 8.065 1.00 1.23 C ATOM 1379 CD ARG A 104 -1.787 -1.576 8.807 1.00 1.26 C ATOM 1380 NE ARG A 104 -0.606 -0.923 9.373 1.00 1.50 N ATOM 1381 CZ ARG A 104 0.387 -1.568 9.979 1.00 1.82 C ATOM 1382 NH1 ARG A 104 0.337 -2.885 10.125 1.00 1.78 N ATOM 1383 NH2 ARG A 104 1.422 -0.889 10.455 1.00 2.71 N ATOM 0 H ARG A 104 -3.509 -0.140 4.949 1.00 0.33 H new ATOM 0 HA ARG A 104 -3.092 1.882 7.042 1.00 0.37 H new ATOM 0 HB2 ARG A 104 -1.581 -0.614 6.230 1.00 0.46 H new ATOM 0 HB3 ARG A 104 -0.985 0.541 7.405 1.00 0.46 H new ATOM 0 HG2 ARG A 104 -3.073 0.142 8.765 1.00 1.23 H new ATOM 0 HG3 ARG A 104 -3.521 -1.114 7.629 1.00 1.23 H new ATOM 0 HD2 ARG A 104 -2.359 -2.049 9.605 1.00 1.26 H new ATOM 0 HD3 ARG A 104 -1.474 -2.368 8.127 1.00 1.26 H new ATOM 0 HE ARG A 104 -0.540 0.092 9.298 1.00 1.50 H new ATOM 0 HH11 ARG A 104 -0.465 -3.407 9.772 1.00 1.78 H new ATOM 0 HH12 ARG A 104 1.101 -3.376 10.590 1.00 1.78 H new ATOM 0 HH21 ARG A 104 1.455 0.126 10.356 1.00 2.71 H new ATOM 0 HH22 ARG A 104 2.185 -1.381 10.920 1.00 2.71 H new ATOM 1397 N VAL A 105 -1.858 3.322 5.412 1.00 0.31 N ATOM 1398 CA VAL A 105 -1.027 4.163 4.582 1.00 0.31 C ATOM 1399 C VAL A 105 0.231 4.552 5.353 1.00 0.31 C ATOM 1400 O VAL A 105 0.181 4.788 6.563 1.00 0.41 O ATOM 1401 CB VAL A 105 -1.806 5.403 4.092 1.00 0.39 C ATOM 1402 CG1 VAL A 105 -3.170 4.972 3.556 1.00 0.64 C ATOM 1403 CG2 VAL A 105 -1.965 6.444 5.191 1.00 0.71 C ATOM 0 H VAL A 105 -2.519 3.824 6.004 1.00 0.31 H new ATOM 0 HA VAL A 105 -0.729 3.608 3.692 1.00 0.31 H new ATOM 0 HB VAL A 105 -1.233 5.870 3.291 1.00 0.39 H new ATOM 0 HG11 VAL A 105 -3.719 5.848 3.211 1.00 0.64 H new ATOM 0 HG12 VAL A 105 -3.032 4.279 2.726 1.00 0.64 H new ATOM 0 HG13 VAL A 105 -3.734 4.480 4.349 1.00 0.64 H new ATOM 0 HG21 VAL A 105 -2.518 7.300 4.804 1.00 0.71 H new ATOM 0 HG22 VAL A 105 -2.509 6.008 6.029 1.00 0.71 H new ATOM 0 HG23 VAL A 105 -0.981 6.770 5.528 1.00 0.71 H new ATOM 1413 N ARG A 106 1.364 4.566 4.672 1.00 0.31 N ATOM 1414 CA ARG A 106 2.641 4.799 5.327 1.00 0.35 C ATOM 1415 C ARG A 106 3.482 5.808 4.564 1.00 0.29 C ATOM 1416 O ARG A 106 3.642 5.699 3.351 1.00 0.31 O ATOM 1417 CB ARG A 106 3.424 3.489 5.454 1.00 0.46 C ATOM 1418 CG ARG A 106 2.877 2.529 6.499 1.00 0.79 C ATOM 1419 CD ARG A 106 2.873 3.162 7.883 1.00 0.87 C ATOM 1420 NE ARG A 106 4.121 3.874 8.167 1.00 1.30 N ATOM 1421 CZ ARG A 106 4.208 4.918 8.994 1.00 1.70 C ATOM 1422 NH1 ARG A 106 3.144 5.318 9.679 1.00 1.88 N ATOM 1423 NH2 ARG A 106 5.366 5.551 9.150 1.00 2.63 N ATOM 0 H ARG A 106 1.426 4.419 3.665 1.00 0.31 H new ATOM 0 HA ARG A 106 2.428 5.199 6.318 1.00 0.35 H new ATOM 0 HB2 ARG A 106 3.430 2.988 4.486 1.00 0.46 H new ATOM 0 HB3 ARG A 106 4.460 3.722 5.699 1.00 0.46 H new ATOM 0 HG2 ARG A 106 1.863 2.233 6.229 1.00 0.79 H new ATOM 0 HG3 ARG A 106 3.481 1.621 6.514 1.00 0.79 H new ATOM 0 HD2 ARG A 106 2.035 3.855 7.962 1.00 0.87 H new ATOM 0 HD3 ARG A 106 2.719 2.388 8.635 1.00 0.87 H new ATOM 0 HE ARG A 106 4.973 3.554 7.706 1.00 1.30 H new ATOM 0 HH11 ARG A 106 2.256 4.827 9.574 1.00 1.88 H new ATOM 0 HH12 ARG A 106 3.214 6.116 10.310 1.00 1.88 H new ATOM 0 HH21 ARG A 106 6.191 5.239 8.637 1.00 2.63 H new ATOM 0 HH22 ARG A 106 5.430 6.349 9.783 1.00 2.63 H new ATOM 1437 N THR A 107 4.021 6.778 5.286 1.00 0.34 N ATOM 1438 CA THR A 107 4.936 7.743 4.705 1.00 0.36 C ATOM 1439 C THR A 107 6.376 7.364 5.051 1.00 0.40 C ATOM 1440 O THR A 107 6.728 7.207 6.224 1.00 0.56 O ATOM 1441 CB THR A 107 4.621 9.185 5.175 1.00 0.50 C ATOM 1442 OG1 THR A 107 5.567 10.113 4.629 1.00 0.56 O ATOM 1443 CG2 THR A 107 4.612 9.291 6.695 1.00 0.64 C ATOM 0 H THR A 107 3.838 6.917 6.280 1.00 0.34 H new ATOM 0 HA THR A 107 4.810 7.722 3.622 1.00 0.36 H new ATOM 0 HB THR A 107 3.624 9.434 4.811 1.00 0.50 H new ATOM 0 HG1 THR A 107 5.351 11.019 4.935 1.00 0.56 H new ATOM 0 HG21 THR A 107 4.388 10.317 6.987 1.00 0.64 H new ATOM 0 HG22 THR A 107 3.852 8.624 7.102 1.00 0.64 H new ATOM 0 HG23 THR A 107 5.590 9.008 7.085 1.00 0.64 H new ATOM 1451 N VAL A 108 7.196 7.174 4.028 1.00 0.44 N ATOM 1452 CA VAL A 108 8.581 6.773 4.222 1.00 0.60 C ATOM 1453 C VAL A 108 9.534 7.837 3.704 1.00 0.68 C ATOM 1454 O VAL A 108 9.256 8.517 2.716 1.00 0.86 O ATOM 1455 CB VAL A 108 8.894 5.434 3.520 1.00 0.71 C ATOM 1456 CG1 VAL A 108 8.036 4.319 4.092 1.00 1.34 C ATOM 1457 CG2 VAL A 108 8.697 5.549 2.014 1.00 0.97 C ATOM 0 H VAL A 108 6.925 7.292 3.052 1.00 0.44 H new ATOM 0 HA VAL A 108 8.722 6.647 5.296 1.00 0.60 H new ATOM 0 HB VAL A 108 9.940 5.191 3.704 1.00 0.71 H new ATOM 0 HG11 VAL A 108 8.270 3.383 3.585 1.00 1.34 H new ATOM 0 HG12 VAL A 108 8.238 4.215 5.158 1.00 1.34 H new ATOM 0 HG13 VAL A 108 6.983 4.558 3.944 1.00 1.34 H new ATOM 0 HG21 VAL A 108 8.924 4.592 1.543 1.00 0.97 H new ATOM 0 HG22 VAL A 108 7.663 5.821 1.802 1.00 0.97 H new ATOM 0 HG23 VAL A 108 9.363 6.316 1.617 1.00 0.97 H new ATOM 1467 N THR A 109 10.655 7.981 4.387 1.00 0.68 N ATOM 1468 CA THR A 109 11.658 8.951 4.006 1.00 0.78 C ATOM 1469 C THR A 109 12.721 8.328 3.106 1.00 0.71 C ATOM 1470 O THR A 109 13.295 9.003 2.253 1.00 0.88 O ATOM 1471 CB THR A 109 12.318 9.548 5.257 1.00 0.96 C ATOM 1472 OG1 THR A 109 12.622 8.498 6.186 1.00 1.22 O ATOM 1473 CG2 THR A 109 11.400 10.566 5.917 1.00 1.11 C ATOM 0 H THR A 109 10.892 7.433 5.214 1.00 0.68 H new ATOM 0 HA THR A 109 11.161 9.743 3.446 1.00 0.78 H new ATOM 0 HB THR A 109 13.237 10.053 4.959 1.00 0.96 H new ATOM 0 HG1 THR A 109 13.045 8.879 6.984 1.00 1.22 H new ATOM 0 HG21 THR A 109 11.888 10.976 6.801 1.00 1.11 H new ATOM 0 HG22 THR A 109 11.185 11.371 5.215 1.00 1.11 H new ATOM 0 HG23 THR A 109 10.469 10.081 6.209 1.00 1.11 H new ATOM 1481 N SER A 110 12.966 7.036 3.290 1.00 0.59 N ATOM 1482 CA SER A 110 13.984 6.333 2.523 1.00 0.54 C ATOM 1483 C SER A 110 13.596 4.862 2.334 1.00 0.49 C ATOM 1484 O SER A 110 12.743 4.359 3.074 1.00 0.51 O ATOM 1485 CB SER A 110 15.338 6.433 3.240 1.00 0.62 C ATOM 1486 OG SER A 110 15.694 7.783 3.500 1.00 0.93 O ATOM 0 H SER A 110 12.471 6.454 3.966 1.00 0.59 H new ATOM 0 HA SER A 110 14.064 6.798 1.540 1.00 0.54 H new ATOM 0 HB2 SER A 110 15.295 5.880 4.179 1.00 0.62 H new ATOM 0 HB3 SER A 110 16.109 5.964 2.629 1.00 0.62 H new ATOM 0 HG SER A 110 16.560 7.811 3.958 1.00 0.93 H new ATOM 1492 N PRO A 111 14.186 4.161 1.338 1.00 0.49 N ATOM 1493 CA PRO A 111 13.928 2.731 1.089 1.00 0.49 C ATOM 1494 C PRO A 111 13.888 1.892 2.373 1.00 0.45 C ATOM 1495 O PRO A 111 12.998 1.055 2.560 1.00 0.50 O ATOM 1496 CB PRO A 111 15.126 2.317 0.238 1.00 0.58 C ATOM 1497 CG PRO A 111 15.501 3.544 -0.518 1.00 0.60 C ATOM 1498 CD PRO A 111 15.140 4.719 0.356 1.00 0.54 C ATOM 0 HA PRO A 111 12.956 2.573 0.622 1.00 0.49 H new ATOM 0 HB2 PRO A 111 15.951 1.968 0.860 1.00 0.58 H new ATOM 0 HB3 PRO A 111 14.868 1.501 -0.437 1.00 0.58 H new ATOM 0 HG2 PRO A 111 16.566 3.546 -0.748 1.00 0.60 H new ATOM 0 HG3 PRO A 111 14.969 3.591 -1.468 1.00 0.60 H new ATOM 0 HD2 PRO A 111 16.020 5.135 0.847 1.00 0.54 H new ATOM 0 HD3 PRO A 111 14.689 5.524 -0.225 1.00 0.54 H new ATOM 1506 N ASP A 112 14.853 2.155 3.256 1.00 0.47 N ATOM 1507 CA ASP A 112 15.028 1.411 4.508 1.00 0.49 C ATOM 1508 C ASP A 112 13.732 1.318 5.318 1.00 0.43 C ATOM 1509 O ASP A 112 13.402 0.256 5.855 1.00 0.45 O ATOM 1510 CB ASP A 112 16.114 2.088 5.350 1.00 0.60 C ATOM 1511 CG ASP A 112 16.494 1.296 6.584 1.00 1.16 C ATOM 1512 OD1 ASP A 112 17.558 0.639 6.564 1.00 1.71 O ATOM 1513 OD2 ASP A 112 15.741 1.331 7.580 1.00 2.04 O ATOM 0 H ASP A 112 15.541 2.896 3.123 1.00 0.47 H new ATOM 0 HA ASP A 112 15.322 0.394 4.250 1.00 0.49 H new ATOM 0 HB2 ASP A 112 17.001 2.237 4.735 1.00 0.60 H new ATOM 0 HB3 ASP A 112 15.767 3.076 5.653 1.00 0.60 H new ATOM 1518 N GLU A 113 13.001 2.425 5.390 1.00 0.43 N ATOM 1519 CA GLU A 113 11.758 2.478 6.153 1.00 0.45 C ATOM 1520 C GLU A 113 10.752 1.461 5.628 1.00 0.37 C ATOM 1521 O GLU A 113 10.187 0.677 6.396 1.00 0.40 O ATOM 1522 CB GLU A 113 11.151 3.881 6.089 1.00 0.57 C ATOM 1523 CG GLU A 113 11.944 4.933 6.846 1.00 0.78 C ATOM 1524 CD GLU A 113 11.949 4.688 8.340 1.00 1.46 C ATOM 1525 OE1 GLU A 113 10.946 5.024 9.004 1.00 2.21 O ATOM 1526 OE2 GLU A 113 12.955 4.164 8.860 1.00 2.13 O ATOM 0 H GLU A 113 13.248 3.300 4.928 1.00 0.43 H new ATOM 0 HA GLU A 113 11.992 2.235 7.189 1.00 0.45 H new ATOM 0 HB2 GLU A 113 11.070 4.183 5.045 1.00 0.57 H new ATOM 0 HB3 GLU A 113 10.138 3.846 6.490 1.00 0.57 H new ATOM 0 HG2 GLU A 113 12.970 4.944 6.479 1.00 0.78 H new ATOM 0 HG3 GLU A 113 11.522 5.917 6.643 1.00 0.78 H new ATOM 1533 N ALA A 114 10.556 1.460 4.314 1.00 0.37 N ATOM 1534 CA ALA A 114 9.576 0.585 3.679 1.00 0.39 C ATOM 1535 C ALA A 114 9.880 -0.879 3.956 1.00 0.36 C ATOM 1536 O ALA A 114 8.968 -1.680 4.156 1.00 0.38 O ATOM 1537 CB ALA A 114 9.536 0.836 2.183 1.00 0.48 C ATOM 0 H ALA A 114 11.066 2.059 3.664 1.00 0.37 H new ATOM 0 HA ALA A 114 8.599 0.813 4.105 1.00 0.39 H new ATOM 0 HB1 ALA A 114 8.801 0.176 1.723 1.00 0.48 H new ATOM 0 HB2 ALA A 114 9.260 1.874 1.995 1.00 0.48 H new ATOM 0 HB3 ALA A 114 10.519 0.639 1.755 1.00 0.48 H new ATOM 1543 N LYS A 115 11.170 -1.207 3.985 1.00 0.38 N ATOM 1544 CA LYS A 115 11.620 -2.569 4.256 1.00 0.45 C ATOM 1545 C LYS A 115 10.994 -3.103 5.541 1.00 0.39 C ATOM 1546 O LYS A 115 10.558 -4.251 5.603 1.00 0.44 O ATOM 1547 CB LYS A 115 13.149 -2.606 4.373 1.00 0.57 C ATOM 1548 CG LYS A 115 13.881 -2.205 3.100 1.00 0.75 C ATOM 1549 CD LYS A 115 15.387 -2.129 3.318 1.00 0.77 C ATOM 1550 CE LYS A 115 16.014 -3.501 3.524 1.00 1.22 C ATOM 1551 NZ LYS A 115 15.995 -4.319 2.283 1.00 1.53 N ATOM 0 H LYS A 115 11.926 -0.542 3.823 1.00 0.38 H new ATOM 0 HA LYS A 115 11.305 -3.202 3.426 1.00 0.45 H new ATOM 0 HB2 LYS A 115 13.457 -1.942 5.181 1.00 0.57 H new ATOM 0 HB3 LYS A 115 13.457 -3.613 4.654 1.00 0.57 H new ATOM 0 HG2 LYS A 115 13.663 -2.926 2.312 1.00 0.75 H new ATOM 0 HG3 LYS A 115 13.513 -1.238 2.758 1.00 0.75 H new ATOM 0 HD2 LYS A 115 15.852 -1.646 2.459 1.00 0.77 H new ATOM 0 HD3 LYS A 115 15.595 -1.504 4.186 1.00 0.77 H new ATOM 0 HE2 LYS A 115 17.043 -3.381 3.862 1.00 1.22 H new ATOM 0 HE3 LYS A 115 15.478 -4.029 4.313 1.00 1.22 H new ATOM 0 HZ1 LYS A 115 16.693 -5.086 2.362 1.00 1.53 H new ATOM 0 HZ2 LYS A 115 15.047 -4.725 2.150 1.00 1.53 H new ATOM 0 HZ3 LYS A 115 16.232 -3.718 1.468 1.00 1.53 H new ATOM 1565 N ARG A 116 10.925 -2.251 6.556 1.00 0.36 N ATOM 1566 CA ARG A 116 10.401 -2.654 7.855 1.00 0.39 C ATOM 1567 C ARG A 116 8.877 -2.614 7.893 1.00 0.35 C ATOM 1568 O ARG A 116 8.250 -3.418 8.585 1.00 0.42 O ATOM 1569 CB ARG A 116 10.979 -1.777 8.966 1.00 0.50 C ATOM 1570 CG ARG A 116 12.309 -2.275 9.511 1.00 1.14 C ATOM 1571 CD ARG A 116 13.398 -2.279 8.453 1.00 1.65 C ATOM 1572 NE ARG A 116 14.627 -2.904 8.939 1.00 2.40 N ATOM 1573 CZ ARG A 116 15.848 -2.555 8.543 1.00 3.29 C ATOM 1574 NH1 ARG A 116 16.006 -1.574 7.667 1.00 3.61 N ATOM 1575 NH2 ARG A 116 16.909 -3.180 9.034 1.00 4.21 N ATOM 0 H ARG A 116 11.225 -1.277 6.505 1.00 0.36 H new ATOM 0 HA ARG A 116 10.709 -3.686 8.020 1.00 0.39 H new ATOM 0 HB2 ARG A 116 11.109 -0.764 8.586 1.00 0.50 H new ATOM 0 HB3 ARG A 116 10.260 -1.721 9.783 1.00 0.50 H new ATOM 0 HG2 ARG A 116 12.617 -1.644 10.345 1.00 1.14 H new ATOM 0 HG3 ARG A 116 12.184 -3.284 9.904 1.00 1.14 H new ATOM 0 HD2 ARG A 116 13.044 -2.811 7.570 1.00 1.65 H new ATOM 0 HD3 ARG A 116 13.609 -1.255 8.145 1.00 1.65 H new ATOM 0 HE ARG A 116 14.543 -3.655 9.625 1.00 2.40 H new ATOM 0 HH11 ARG A 116 15.191 -1.086 7.296 1.00 3.61 H new ATOM 0 HH12 ARG A 116 16.943 -1.307 7.364 1.00 3.61 H new ATOM 0 HH21 ARG A 116 16.789 -3.929 9.716 1.00 4.21 H new ATOM 0 HH22 ARG A 116 17.845 -2.912 8.730 1.00 4.21 H new ATOM 1589 N TRP A 117 8.277 -1.692 7.150 1.00 0.31 N ATOM 1590 CA TRP A 117 6.822 -1.559 7.142 1.00 0.32 C ATOM 1591 C TRP A 117 6.167 -2.727 6.427 1.00 0.30 C ATOM 1592 O TRP A 117 5.131 -3.230 6.864 1.00 0.36 O ATOM 1593 CB TRP A 117 6.393 -0.240 6.501 1.00 0.36 C ATOM 1594 CG TRP A 117 6.759 0.946 7.330 1.00 0.40 C ATOM 1595 CD1 TRP A 117 7.533 2.004 6.955 1.00 0.47 C ATOM 1596 CD2 TRP A 117 6.378 1.187 8.689 1.00 0.56 C ATOM 1597 NE1 TRP A 117 7.656 2.888 7.996 1.00 0.53 N ATOM 1598 CE2 TRP A 117 6.956 2.408 9.073 1.00 0.60 C ATOM 1599 CE3 TRP A 117 5.603 0.486 9.619 1.00 0.76 C ATOM 1600 CZ2 TRP A 117 6.782 2.946 10.346 1.00 0.80 C ATOM 1601 CZ3 TRP A 117 5.432 1.019 10.880 1.00 0.98 C ATOM 1602 CH2 TRP A 117 6.020 2.238 11.233 1.00 0.99 C ATOM 0 H TRP A 117 8.768 -1.030 6.550 1.00 0.31 H new ATOM 0 HA TRP A 117 6.489 -1.562 8.180 1.00 0.32 H new ATOM 0 HB2 TRP A 117 6.857 -0.150 5.519 1.00 0.36 H new ATOM 0 HB3 TRP A 117 5.314 -0.250 6.344 1.00 0.36 H new ATOM 0 HD1 TRP A 117 7.983 2.128 5.981 1.00 0.47 H new ATOM 0 HE1 TRP A 117 8.183 3.761 7.973 1.00 0.53 H new ATOM 0 HE3 TRP A 117 5.146 -0.456 9.354 1.00 0.76 H new ATOM 0 HZ2 TRP A 117 7.233 3.888 10.622 1.00 0.80 H new ATOM 0 HZ3 TRP A 117 4.835 0.487 11.606 1.00 0.98 H new ATOM 0 HH2 TRP A 117 5.869 2.629 12.228 1.00 0.99 H new ATOM 1613 N ILE A 118 6.779 -3.161 5.337 1.00 0.29 N ATOM 1614 CA ILE A 118 6.285 -4.308 4.594 1.00 0.32 C ATOM 1615 C ILE A 118 6.304 -5.555 5.476 1.00 0.36 C ATOM 1616 O ILE A 118 5.404 -6.395 5.407 1.00 0.40 O ATOM 1617 CB ILE A 118 7.119 -4.540 3.318 1.00 0.41 C ATOM 1618 CG1 ILE A 118 7.007 -3.325 2.395 1.00 0.44 C ATOM 1619 CG2 ILE A 118 6.665 -5.801 2.599 1.00 0.51 C ATOM 1620 CD1 ILE A 118 7.910 -3.394 1.185 1.00 0.57 C ATOM 0 H ILE A 118 7.620 -2.735 4.947 1.00 0.29 H new ATOM 0 HA ILE A 118 5.257 -4.104 4.294 1.00 0.32 H new ATOM 0 HB ILE A 118 8.163 -4.672 3.602 1.00 0.41 H new ATOM 0 HG12 ILE A 118 5.974 -3.228 2.061 1.00 0.44 H new ATOM 0 HG13 ILE A 118 7.244 -2.426 2.963 1.00 0.44 H new ATOM 0 HG21 ILE A 118 7.267 -5.945 1.702 1.00 0.51 H new ATOM 0 HG22 ILE A 118 6.786 -6.660 3.259 1.00 0.51 H new ATOM 0 HG23 ILE A 118 5.616 -5.703 2.320 1.00 0.51 H new ATOM 0 HD11 ILE A 118 7.775 -2.498 0.579 1.00 0.57 H new ATOM 0 HD12 ILE A 118 8.949 -3.459 1.509 1.00 0.57 H new ATOM 0 HD13 ILE A 118 7.659 -4.274 0.593 1.00 0.57 H new ATOM 1632 N LYS A 119 7.324 -5.653 6.324 1.00 0.41 N ATOM 1633 CA LYS A 119 7.425 -6.747 7.284 1.00 0.53 C ATOM 1634 C LYS A 119 6.239 -6.743 8.243 1.00 0.55 C ATOM 1635 O LYS A 119 5.564 -7.757 8.418 1.00 0.67 O ATOM 1636 CB LYS A 119 8.727 -6.642 8.080 1.00 0.63 C ATOM 1637 CG LYS A 119 9.978 -6.890 7.256 1.00 1.09 C ATOM 1638 CD LYS A 119 11.241 -6.634 8.067 1.00 1.34 C ATOM 1639 CE LYS A 119 11.366 -7.587 9.250 1.00 2.05 C ATOM 1640 NZ LYS A 119 11.476 -9.004 8.814 1.00 2.66 N ATOM 0 H LYS A 119 8.094 -4.986 6.365 1.00 0.41 H new ATOM 0 HA LYS A 119 7.420 -7.682 6.724 1.00 0.53 H new ATOM 0 HB2 LYS A 119 8.789 -5.649 8.526 1.00 0.63 H new ATOM 0 HB3 LYS A 119 8.697 -7.358 8.901 1.00 0.63 H new ATOM 0 HG2 LYS A 119 9.979 -7.918 6.895 1.00 1.09 H new ATOM 0 HG3 LYS A 119 9.971 -6.244 6.378 1.00 1.09 H new ATOM 0 HD2 LYS A 119 12.113 -6.741 7.422 1.00 1.34 H new ATOM 0 HD3 LYS A 119 11.237 -5.606 8.429 1.00 1.34 H new ATOM 0 HE2 LYS A 119 12.243 -7.320 9.840 1.00 2.05 H new ATOM 0 HE3 LYS A 119 10.498 -7.474 9.900 1.00 2.05 H new ATOM 0 HZ1 LYS A 119 11.744 -9.597 9.625 1.00 2.66 H new ATOM 0 HZ2 LYS A 119 10.560 -9.324 8.439 1.00 2.66 H new ATOM 0 HZ3 LYS A 119 12.201 -9.084 8.072 1.00 2.66 H new ATOM 1654 N GLU A 120 5.979 -5.590 8.847 1.00 0.51 N ATOM 1655 CA GLU A 120 4.907 -5.462 9.829 1.00 0.63 C ATOM 1656 C GLU A 120 3.545 -5.721 9.199 1.00 0.60 C ATOM 1657 O GLU A 120 2.674 -6.338 9.814 1.00 0.79 O ATOM 1658 CB GLU A 120 4.925 -4.069 10.458 1.00 0.71 C ATOM 1659 CG GLU A 120 6.206 -3.761 11.209 1.00 1.43 C ATOM 1660 CD GLU A 120 6.508 -4.790 12.278 1.00 1.83 C ATOM 1661 OE1 GLU A 120 7.368 -5.664 12.042 1.00 2.48 O ATOM 1662 OE2 GLU A 120 5.880 -4.734 13.355 1.00 2.33 O ATOM 0 H GLU A 120 6.496 -4.728 8.674 1.00 0.51 H new ATOM 0 HA GLU A 120 5.077 -6.211 10.603 1.00 0.63 H new ATOM 0 HB2 GLU A 120 4.784 -3.324 9.675 1.00 0.71 H new ATOM 0 HB3 GLU A 120 4.081 -3.977 11.142 1.00 0.71 H new ATOM 0 HG2 GLU A 120 7.036 -3.718 10.504 1.00 1.43 H new ATOM 0 HG3 GLU A 120 6.127 -2.776 11.668 1.00 1.43 H new ATOM 1669 N PHE A 121 3.374 -5.247 7.973 1.00 0.44 N ATOM 1670 CA PHE A 121 2.117 -5.390 7.258 1.00 0.43 C ATOM 1671 C PHE A 121 1.841 -6.851 6.907 1.00 0.46 C ATOM 1672 O PHE A 121 0.727 -7.341 7.084 1.00 0.54 O ATOM 1673 CB PHE A 121 2.143 -4.538 5.987 1.00 0.38 C ATOM 1674 CG PHE A 121 0.889 -4.630 5.168 1.00 0.43 C ATOM 1675 CD1 PHE A 121 0.861 -5.379 4.003 1.00 1.37 C ATOM 1676 CD2 PHE A 121 -0.261 -3.968 5.564 1.00 1.19 C ATOM 1677 CE1 PHE A 121 -0.288 -5.465 3.247 1.00 1.43 C ATOM 1678 CE2 PHE A 121 -1.414 -4.051 4.812 1.00 1.23 C ATOM 1679 CZ PHE A 121 -1.429 -4.801 3.652 1.00 0.67 C ATOM 0 H PHE A 121 4.099 -4.756 7.450 1.00 0.44 H new ATOM 0 HA PHE A 121 1.314 -5.045 7.909 1.00 0.43 H new ATOM 0 HB2 PHE A 121 2.310 -3.497 6.263 1.00 0.38 H new ATOM 0 HB3 PHE A 121 2.990 -4.845 5.373 1.00 0.38 H new ATOM 0 HD1 PHE A 121 1.750 -5.902 3.683 1.00 1.37 H new ATOM 0 HD2 PHE A 121 -0.255 -3.381 6.471 1.00 1.19 H new ATOM 0 HE1 PHE A 121 -0.296 -6.051 2.340 1.00 1.43 H new ATOM 0 HE2 PHE A 121 -2.305 -3.530 5.130 1.00 1.23 H new ATOM 0 HZ PHE A 121 -2.332 -4.868 3.063 1.00 0.67 H new ATOM 1689 N SER A 122 2.857 -7.545 6.419 1.00 0.44 N ATOM 1690 CA SER A 122 2.691 -8.930 6.001 1.00 0.50 C ATOM 1691 C SER A 122 2.458 -9.847 7.198 1.00 0.58 C ATOM 1692 O SER A 122 1.643 -10.770 7.133 1.00 0.80 O ATOM 1693 CB SER A 122 3.906 -9.391 5.198 1.00 0.57 C ATOM 1694 OG SER A 122 5.116 -9.031 5.842 1.00 1.31 O ATOM 0 H SER A 122 3.801 -7.176 6.303 1.00 0.44 H new ATOM 0 HA SER A 122 1.808 -8.986 5.364 1.00 0.50 H new ATOM 0 HB2 SER A 122 3.869 -10.472 5.067 1.00 0.57 H new ATOM 0 HB3 SER A 122 3.876 -8.948 4.202 1.00 0.57 H new ATOM 0 HG SER A 122 5.363 -8.117 5.587 1.00 1.31 H new ATOM 1700 N GLU A 123 3.154 -9.581 8.296 1.00 0.63 N ATOM 1701 CA GLU A 123 3.005 -10.387 9.500 1.00 0.81 C ATOM 1702 C GLU A 123 1.868 -9.861 10.374 1.00 0.92 C ATOM 1703 O GLU A 123 1.834 -10.111 11.580 1.00 1.44 O ATOM 1704 CB GLU A 123 4.309 -10.415 10.301 1.00 1.25 C ATOM 1705 CG GLU A 123 5.503 -10.937 9.515 1.00 1.57 C ATOM 1706 CD GLU A 123 5.248 -12.293 8.889 1.00 1.91 C ATOM 1707 OE1 GLU A 123 5.264 -13.309 9.617 1.00 2.53 O ATOM 1708 OE2 GLU A 123 5.043 -12.354 7.661 1.00 2.37 O ATOM 0 H GLU A 123 3.824 -8.817 8.377 1.00 0.63 H new ATOM 0 HA GLU A 123 2.762 -11.403 9.189 1.00 0.81 H new ATOM 0 HB2 GLU A 123 4.530 -9.407 10.652 1.00 1.25 H new ATOM 0 HB3 GLU A 123 4.168 -11.037 11.185 1.00 1.25 H new ATOM 0 HG2 GLU A 123 5.757 -10.223 8.732 1.00 1.57 H new ATOM 0 HG3 GLU A 123 6.366 -11.004 10.177 1.00 1.57 H new