USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 725 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 LYS NZ :NH3+ -100:sc= 1.18 (180deg=0) USER MOD Set 1.2: A 71 TYR OH : rot 30:sc= 1.05 USER MOD Single : A 36 ASN : amide:sc= -0.0288 K(o=-0.029,f=-1.3!) USER MOD Single : A 39 LYS NZ :NH3+ 176:sc= 0.22 (180deg=0.215) USER MOD Single : A 42 HIS : no HD1:sc= -5.83! C(o=-5.8!,f=-6.2!) USER MOD Single : A 45 CYS SG : rot -12:sc= -7.47! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -25.1! C(o=-25!,f=-28!) USER MOD Single : A 50 LYS NZ :NH3+ -123:sc= -0.727 (180deg=-1.45) USER MOD Single : A 52 MET CE :methyl 147:sc= -13.1! (180deg=-18.1!) USER MOD Single : A 55 MET CE :methyl 168:sc= -6! (180deg=-6.57!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -82:sc= 0.0378 USER MOD Single : A 62 MET CE :methyl -174:sc= -7.17! (180deg=-7.49!) USER MOD Single : A 65 ASN : amide:sc= -1.26! C(o=-1.3!,f=-8.8!) USER MOD Single : A 70 GLN :FLIP amide:sc= -2.79! C(o=-4.8!,f=-2.8!) USER MOD Single : A 72 SER OG : rot 171:sc= -1.28! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.0724 USER MOD Single : A 90 MET CE :methyl 140:sc= -0.864 (180deg=-1.71!) USER MOD Single : A 95 GLN : amide:sc= -1.87 K(o=-1.9,f=-4.8!) USER MOD Single : A 104 SER OG : rot 88:sc= -1.51! USER MOD Single : A 106 MET CE :methyl -142:sc= -0.279 (180deg=-1.56!) USER MOD Single : A 108 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.267) USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.524! USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -60:sc= 0.613 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 HIS : no HD1:sc= -13.3! C(o=-13!,f=-14!) USER MOD Single : A 126 MET CE :methyl 162:sc= -1.02 (180deg=-2.52!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N ASN A 36 82.299 -15.657 -0.238 1.00 0.00 N ATOM 86 CA ASN A 36 83.298 -15.742 0.865 1.00 0.00 C ATOM 87 C ASN A 36 84.005 -14.399 1.035 1.00 0.00 C ATOM 88 O ASN A 36 84.137 -13.890 2.126 1.00 0.00 O ATOM 89 CB ASN A 36 84.287 -16.820 0.423 1.00 0.00 C ATOM 90 CG ASN A 36 83.619 -18.193 0.523 1.00 0.00 C ATOM 91 OD1 ASN A 36 82.787 -18.415 1.381 1.00 0.00 O ATOM 92 ND2 ASN A 36 83.948 -19.129 -0.322 1.00 0.00 N ATOM 0 HA ASN A 36 82.839 -15.983 1.824 1.00 0.00 H new ATOM 0 HB2 ASN A 36 84.611 -16.634 -0.601 1.00 0.00 H new ATOM 0 HB3 ASN A 36 85.178 -16.790 1.049 1.00 0.00 H new ATOM 0 HD21 ASN A 36 83.507 -20.047 -0.263 1.00 0.00 H new ATOM 0 HD22 ASN A 36 84.646 -18.943 -1.042 1.00 0.00 H new ATOM 99 N ALA A 37 84.451 -13.822 -0.043 1.00 0.00 N ATOM 100 CA ALA A 37 85.144 -12.508 0.037 1.00 0.00 C ATOM 101 C ALA A 37 84.519 -11.542 -0.967 1.00 0.00 C ATOM 102 O ALA A 37 84.038 -11.947 -2.001 1.00 0.00 O ATOM 103 CB ALA A 37 86.599 -12.802 -0.331 1.00 0.00 C ATOM 0 H ALA A 37 84.365 -14.207 -0.984 1.00 0.00 H new ATOM 0 HA ALA A 37 85.065 -12.049 1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 37 87.177 -11.879 -0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 37 87.015 -13.519 0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 37 86.643 -13.218 -1.338 1.00 0.00 H new ATOM 109 N VAL A 38 84.517 -10.274 -0.663 1.00 0.00 N ATOM 110 CA VAL A 38 83.920 -9.260 -1.590 1.00 0.00 C ATOM 111 C VAL A 38 84.656 -7.926 -1.406 1.00 0.00 C ATOM 112 O VAL A 38 85.135 -7.649 -0.325 1.00 0.00 O ATOM 113 CB VAL A 38 82.451 -9.137 -1.151 1.00 0.00 C ATOM 114 CG1 VAL A 38 81.886 -10.522 -0.814 1.00 0.00 C ATOM 115 CG2 VAL A 38 82.347 -8.241 0.091 1.00 0.00 C ATOM 0 H VAL A 38 84.907 -9.889 0.197 1.00 0.00 H new ATOM 0 HA VAL A 38 83.999 -9.539 -2.641 1.00 0.00 H new ATOM 0 HB VAL A 38 81.880 -8.697 -1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 38 80.845 -10.425 -0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 38 81.944 -11.163 -1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.466 -10.964 -0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 38 81.303 -8.160 0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.928 -8.677 0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.735 -7.250 -0.142 1.00 0.00 H new ATOM 125 N LYS A 39 84.767 -7.075 -2.405 1.00 0.00 N ATOM 126 CA LYS A 39 85.490 -5.805 -2.128 1.00 0.00 C ATOM 127 C LYS A 39 84.499 -4.757 -1.614 1.00 0.00 C ATOM 128 O LYS A 39 83.848 -4.070 -2.372 1.00 0.00 O ATOM 129 CB LYS A 39 86.055 -5.383 -3.466 1.00 0.00 C ATOM 130 CG LYS A 39 87.007 -4.202 -3.272 1.00 0.00 C ATOM 131 CD LYS A 39 88.020 -4.547 -2.176 1.00 0.00 C ATOM 132 CE LYS A 39 89.411 -4.064 -2.592 1.00 0.00 C ATOM 133 NZ LYS A 39 89.970 -5.174 -3.413 1.00 0.00 N ATOM 0 H LYS A 39 84.406 -7.200 -3.351 1.00 0.00 H new ATOM 0 HA LYS A 39 86.269 -5.917 -1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 39 86.583 -6.217 -3.928 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.247 -5.104 -4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 39 87.524 -3.979 -4.205 1.00 0.00 H new ATOM 0 HG3 LYS A 39 86.446 -3.309 -2.997 1.00 0.00 H new ATOM 0 HD2 LYS A 39 87.728 -4.079 -1.236 1.00 0.00 H new ATOM 0 HD3 LYS A 39 88.034 -5.623 -2.005 1.00 0.00 H new ATOM 0 HE2 LYS A 39 89.353 -3.139 -3.165 1.00 0.00 H new ATOM 0 HE3 LYS A 39 90.036 -3.862 -1.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 90.896 -4.892 -3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 90.082 -6.022 -2.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 89.323 -5.384 -4.199 1.00 0.00 H new ATOM 147 N VAL A 40 84.363 -4.656 -0.320 1.00 0.00 N ATOM 148 CA VAL A 40 83.388 -3.690 0.264 1.00 0.00 C ATOM 149 C VAL A 40 84.014 -2.312 0.512 1.00 0.00 C ATOM 150 O VAL A 40 85.180 -2.184 0.829 1.00 0.00 O ATOM 151 CB VAL A 40 82.977 -4.329 1.590 1.00 0.00 C ATOM 152 CG1 VAL A 40 84.155 -4.276 2.568 1.00 0.00 C ATOM 153 CG2 VAL A 40 81.791 -3.569 2.179 1.00 0.00 C ATOM 0 H VAL A 40 84.888 -5.204 0.362 1.00 0.00 H new ATOM 0 HA VAL A 40 82.550 -3.513 -0.410 1.00 0.00 H new ATOM 0 HB VAL A 40 82.692 -5.367 1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 40 83.863 -4.731 3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 40 85.001 -4.821 2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 40 84.440 -3.238 2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 40 81.499 -4.026 3.125 1.00 0.00 H new ATOM 0 HG22 VAL A 40 82.073 -2.530 2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 40 80.953 -3.607 1.484 1.00 0.00 H new ATOM 163 N ARG A 41 83.216 -1.285 0.382 1.00 0.00 N ATOM 164 CA ARG A 41 83.698 0.111 0.614 1.00 0.00 C ATOM 165 C ARG A 41 82.623 0.855 1.416 1.00 0.00 C ATOM 166 O ARG A 41 81.459 0.533 1.319 1.00 0.00 O ATOM 167 CB ARG A 41 83.869 0.709 -0.787 1.00 0.00 C ATOM 168 CG ARG A 41 84.497 -0.335 -1.720 1.00 0.00 C ATOM 169 CD ARG A 41 84.817 0.307 -3.072 1.00 0.00 C ATOM 170 NE ARG A 41 84.615 -0.775 -4.072 1.00 0.00 N ATOM 171 CZ ARG A 41 85.104 -0.645 -5.276 1.00 0.00 C ATOM 172 NH1 ARG A 41 86.353 -0.942 -5.510 1.00 0.00 N ATOM 173 NH2 ARG A 41 84.346 -0.214 -6.247 1.00 0.00 N ATOM 0 H ARG A 41 82.233 -1.355 0.120 1.00 0.00 H new ATOM 0 HA ARG A 41 84.632 0.171 1.173 1.00 0.00 H new ATOM 0 HB2 ARG A 41 82.902 1.026 -1.178 1.00 0.00 H new ATOM 0 HB3 ARG A 41 84.501 1.596 -0.740 1.00 0.00 H new ATOM 0 HG2 ARG A 41 85.406 -0.736 -1.273 1.00 0.00 H new ATOM 0 HG3 ARG A 41 83.813 -1.173 -1.857 1.00 0.00 H new ATOM 0 HD2 ARG A 41 84.162 1.155 -3.271 1.00 0.00 H new ATOM 0 HD3 ARG A 41 85.840 0.682 -3.098 1.00 0.00 H new ATOM 0 HE ARG A 41 84.096 -1.616 -3.818 1.00 0.00 H new ATOM 0 HH11 ARG A 41 86.948 -1.276 -4.752 1.00 0.00 H new ATOM 0 HH12 ARG A 41 86.734 -0.840 -6.451 1.00 0.00 H new ATOM 0 HH21 ARG A 41 83.370 0.022 -6.066 1.00 0.00 H new ATOM 0 HH22 ARG A 41 84.729 -0.113 -7.187 1.00 0.00 H new ATOM 187 N HIS A 42 82.977 1.815 2.234 1.00 0.00 N ATOM 188 CA HIS A 42 81.916 2.494 3.040 1.00 0.00 C ATOM 189 C HIS A 42 82.040 4.031 3.047 1.00 0.00 C ATOM 190 O HIS A 42 83.118 4.588 3.105 1.00 0.00 O ATOM 191 CB HIS A 42 82.100 1.921 4.453 1.00 0.00 C ATOM 192 CG HIS A 42 83.071 2.764 5.241 1.00 0.00 C ATOM 193 ND1 HIS A 42 82.676 3.516 6.336 1.00 0.00 N ATOM 194 CD2 HIS A 42 84.418 2.987 5.101 1.00 0.00 C ATOM 195 CE1 HIS A 42 83.765 4.149 6.807 1.00 0.00 C ATOM 196 NE2 HIS A 42 84.854 3.861 6.090 1.00 0.00 N ATOM 0 H HIS A 42 83.929 2.152 2.377 1.00 0.00 H new ATOM 0 HA HIS A 42 80.927 2.310 2.621 1.00 0.00 H new ATOM 0 HB2 HIS A 42 81.139 1.887 4.966 1.00 0.00 H new ATOM 0 HB3 HIS A 42 82.465 0.896 4.392 1.00 0.00 H new ATOM 0 HD2 HIS A 42 85.044 2.550 4.338 1.00 0.00 H new ATOM 0 HE1 HIS A 42 83.759 4.810 7.661 1.00 0.00 H new ATOM 0 HE2 HIS A 42 85.802 4.208 6.237 1.00 0.00 H new ATOM 204 N ILE A 43 80.912 4.704 3.026 1.00 0.00 N ATOM 205 CA ILE A 43 80.889 6.204 3.071 1.00 0.00 C ATOM 206 C ILE A 43 79.898 6.645 4.168 1.00 0.00 C ATOM 207 O ILE A 43 78.812 6.108 4.269 1.00 0.00 O ATOM 208 CB ILE A 43 80.395 6.641 1.683 1.00 0.00 C ATOM 209 CG1 ILE A 43 81.568 6.656 0.698 1.00 0.00 C ATOM 210 CG2 ILE A 43 79.793 8.046 1.764 1.00 0.00 C ATOM 211 CD1 ILE A 43 81.093 7.215 -0.648 1.00 0.00 C ATOM 0 H ILE A 43 79.990 4.270 2.979 1.00 0.00 H new ATOM 0 HA ILE A 43 81.860 6.643 3.298 1.00 0.00 H new ATOM 0 HB ILE A 43 79.636 5.937 1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 43 82.381 7.267 1.092 1.00 0.00 H new ATOM 0 HG13 ILE A 43 81.961 5.648 0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 43 79.445 8.350 0.777 1.00 0.00 H new ATOM 0 HG22 ILE A 43 78.954 8.043 2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 43 80.551 8.747 2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 43 81.926 7.227 -1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 43 80.294 6.586 -1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 43 80.721 8.230 -0.509 1.00 0.00 H new ATOM 223 N LEU A 44 80.254 7.589 5.011 1.00 0.00 N ATOM 224 CA LEU A 44 79.304 7.998 6.102 1.00 0.00 C ATOM 225 C LEU A 44 78.976 9.479 6.046 1.00 0.00 C ATOM 226 O LEU A 44 79.757 10.293 5.629 1.00 0.00 O ATOM 227 CB LEU A 44 80.014 7.732 7.421 1.00 0.00 C ATOM 228 CG LEU A 44 80.801 6.450 7.324 1.00 0.00 C ATOM 229 CD1 LEU A 44 81.371 6.111 8.700 1.00 0.00 C ATOM 230 CD2 LEU A 44 79.841 5.362 6.873 1.00 0.00 C ATOM 0 H LEU A 44 81.144 8.087 4.994 1.00 0.00 H new ATOM 0 HA LEU A 44 78.374 7.441 5.992 1.00 0.00 H new ATOM 0 HB2 LEU A 44 80.679 8.561 7.661 1.00 0.00 H new ATOM 0 HB3 LEU A 44 79.286 7.663 8.230 1.00 0.00 H new ATOM 0 HG LEU A 44 81.626 6.542 6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 44 81.942 5.185 8.639 1.00 0.00 H new ATOM 0 HD12 LEU A 44 82.024 6.918 9.032 1.00 0.00 H new ATOM 0 HD13 LEU A 44 80.555 5.988 9.412 1.00 0.00 H new ATOM 0 HD21 LEU A 44 80.376 4.416 6.791 1.00 0.00 H new ATOM 0 HD22 LEU A 44 79.036 5.262 7.601 1.00 0.00 H new ATOM 0 HD23 LEU A 44 79.421 5.627 5.903 1.00 0.00 H new ATOM 242 N CYS A 45 77.827 9.838 6.493 1.00 0.00 N ATOM 243 CA CYS A 45 77.476 11.285 6.494 1.00 0.00 C ATOM 244 C CYS A 45 77.045 11.732 7.898 1.00 0.00 C ATOM 245 O CYS A 45 76.895 12.907 8.163 1.00 0.00 O ATOM 246 CB CYS A 45 76.343 11.423 5.487 1.00 0.00 C ATOM 247 SG CYS A 45 77.025 11.319 3.816 1.00 0.00 S ATOM 0 H CYS A 45 77.112 9.209 6.858 1.00 0.00 H new ATOM 0 HA CYS A 45 78.322 11.917 6.224 1.00 0.00 H new ATOM 0 HB2 CYS A 45 75.604 10.637 5.642 1.00 0.00 H new ATOM 0 HB3 CYS A 45 75.830 12.375 5.626 1.00 0.00 H new ATOM 0 HG CYS A 45 78.321 11.409 3.870 1.00 0.00 H new ATOM 253 N GLU A 46 76.853 10.802 8.798 1.00 0.00 N ATOM 254 CA GLU A 46 76.436 11.158 10.188 1.00 0.00 C ATOM 255 C GLU A 46 75.024 11.728 10.157 1.00 0.00 C ATOM 256 O GLU A 46 74.106 11.201 10.753 1.00 0.00 O ATOM 257 CB GLU A 46 77.438 12.215 10.649 1.00 0.00 C ATOM 258 CG GLU A 46 77.755 12.004 12.131 1.00 0.00 C ATOM 259 CD GLU A 46 78.021 13.357 12.795 1.00 0.00 C ATOM 260 OE1 GLU A 46 78.979 14.005 12.409 1.00 0.00 O ATOM 261 OE2 GLU A 46 77.262 13.721 13.677 1.00 0.00 O ATOM 0 H GLU A 46 76.968 9.803 8.628 1.00 0.00 H new ATOM 0 HA GLU A 46 76.428 10.300 10.860 1.00 0.00 H new ATOM 0 HB2 GLU A 46 78.351 12.148 10.058 1.00 0.00 H new ATOM 0 HB3 GLU A 46 77.029 13.213 10.492 1.00 0.00 H new ATOM 0 HG2 GLU A 46 76.922 11.503 12.624 1.00 0.00 H new ATOM 0 HG3 GLU A 46 78.625 11.357 12.239 1.00 0.00 H new ATOM 268 N LYS A 47 74.849 12.788 9.434 1.00 0.00 N ATOM 269 CA LYS A 47 73.507 13.405 9.307 1.00 0.00 C ATOM 270 C LYS A 47 72.891 12.943 7.987 1.00 0.00 C ATOM 271 O LYS A 47 71.696 13.015 7.775 1.00 0.00 O ATOM 272 CB LYS A 47 73.774 14.908 9.304 1.00 0.00 C ATOM 273 CG LYS A 47 74.470 15.302 8.000 1.00 0.00 C ATOM 274 CD LYS A 47 75.505 16.393 8.287 1.00 0.00 C ATOM 275 CE LYS A 47 76.726 15.771 8.967 1.00 0.00 C ATOM 276 NZ LYS A 47 77.012 16.661 10.127 1.00 0.00 N ATOM 0 H LYS A 47 75.589 13.262 8.917 1.00 0.00 H new ATOM 0 HA LYS A 47 72.815 13.133 10.104 1.00 0.00 H new ATOM 0 HB2 LYS A 47 72.837 15.454 9.407 1.00 0.00 H new ATOM 0 HB3 LYS A 47 74.397 15.179 10.157 1.00 0.00 H new ATOM 0 HG2 LYS A 47 74.955 14.432 7.556 1.00 0.00 H new ATOM 0 HG3 LYS A 47 73.737 15.661 7.278 1.00 0.00 H new ATOM 0 HD2 LYS A 47 75.802 16.881 7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 47 75.071 17.162 8.927 1.00 0.00 H new ATOM 0 HE2 LYS A 47 76.521 14.751 9.292 1.00 0.00 H new ATOM 0 HE3 LYS A 47 77.576 15.723 8.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 77.838 16.301 10.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 77.210 17.623 9.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 76.187 16.681 10.761 1.00 0.00 H new ATOM 290 N HIS A 48 73.718 12.446 7.107 1.00 0.00 N ATOM 291 CA HIS A 48 73.233 11.942 5.797 1.00 0.00 C ATOM 292 C HIS A 48 72.558 13.040 4.992 1.00 0.00 C ATOM 293 O HIS A 48 71.761 12.787 4.110 1.00 0.00 O ATOM 294 CB HIS A 48 72.287 10.808 6.147 1.00 0.00 C ATOM 295 CG HIS A 48 73.106 9.547 6.168 1.00 0.00 C ATOM 296 ND1 HIS A 48 74.313 9.474 6.850 1.00 0.00 N ATOM 297 CD2 HIS A 48 72.965 8.343 5.527 1.00 0.00 C ATOM 298 CE1 HIS A 48 74.854 8.271 6.598 1.00 0.00 C ATOM 299 NE2 HIS A 48 74.073 7.541 5.794 1.00 0.00 N ATOM 0 H HIS A 48 74.725 12.368 7.246 1.00 0.00 H new ATOM 0 HA HIS A 48 74.046 11.597 5.158 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.819 10.981 7.116 1.00 0.00 H new ATOM 0 HB3 HIS A 48 71.484 10.735 5.414 1.00 0.00 H new ATOM 0 HD1 HIS A 48 74.717 10.204 7.437 1.00 0.00 H new ATOM 0 HD2 HIS A 48 72.125 8.060 4.910 1.00 0.00 H new ATOM 0 HE1 HIS A 48 75.801 7.935 6.995 1.00 0.00 H new ATOM 307 N GLY A 49 72.914 14.256 5.258 1.00 0.00 N ATOM 308 CA GLY A 49 72.347 15.383 4.476 1.00 0.00 C ATOM 309 C GLY A 49 72.987 15.334 3.087 1.00 0.00 C ATOM 310 O GLY A 49 72.454 15.841 2.121 1.00 0.00 O ATOM 0 H GLY A 49 73.576 14.523 5.986 1.00 0.00 H new ATOM 0 HA2 GLY A 49 71.263 15.295 4.404 1.00 0.00 H new ATOM 0 HA3 GLY A 49 72.558 16.335 4.964 1.00 0.00 H new ATOM 314 N LYS A 50 74.129 14.700 2.990 1.00 0.00 N ATOM 315 CA LYS A 50 74.821 14.578 1.675 1.00 0.00 C ATOM 316 C LYS A 50 74.988 13.104 1.321 1.00 0.00 C ATOM 317 O LYS A 50 75.402 12.771 0.232 1.00 0.00 O ATOM 318 CB LYS A 50 76.175 15.285 1.849 1.00 0.00 C ATOM 319 CG LYS A 50 77.173 14.391 2.595 1.00 0.00 C ATOM 320 CD LYS A 50 77.077 14.654 4.100 1.00 0.00 C ATOM 321 CE LYS A 50 78.487 14.813 4.677 1.00 0.00 C ATOM 322 NZ LYS A 50 78.310 14.729 6.154 1.00 0.00 N ATOM 0 H LYS A 50 74.613 14.259 3.772 1.00 0.00 H new ATOM 0 HA LYS A 50 74.259 15.032 0.859 1.00 0.00 H new ATOM 0 HB2 LYS A 50 76.579 15.549 0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 50 76.035 16.216 2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 50 76.964 13.342 2.385 1.00 0.00 H new ATOM 0 HG3 LYS A 50 78.186 14.590 2.245 1.00 0.00 H new ATOM 0 HD2 LYS A 50 76.492 15.554 4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 50 76.561 13.830 4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 50 79.153 14.030 4.314 1.00 0.00 H new ATOM 0 HE3 LYS A 50 78.928 15.766 4.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 78.689 15.590 6.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 77.298 14.640 6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 78.819 13.899 6.518 1.00 0.00 H new ATOM 336 N ILE A 51 74.643 12.210 2.210 1.00 0.00 N ATOM 337 CA ILE A 51 74.766 10.771 1.859 1.00 0.00 C ATOM 338 C ILE A 51 74.096 10.572 0.506 1.00 0.00 C ATOM 339 O ILE A 51 74.543 9.801 -0.318 1.00 0.00 O ATOM 340 CB ILE A 51 74.038 9.998 2.960 1.00 0.00 C ATOM 341 CG1 ILE A 51 74.295 8.500 2.780 1.00 0.00 C ATOM 342 CG2 ILE A 51 72.535 10.269 2.876 1.00 0.00 C ATOM 343 CD1 ILE A 51 75.619 8.126 3.448 1.00 0.00 C ATOM 0 H ILE A 51 74.289 12.411 3.145 1.00 0.00 H new ATOM 0 HA ILE A 51 75.798 10.428 1.789 1.00 0.00 H new ATOM 0 HB ILE A 51 74.408 10.321 3.933 1.00 0.00 H new ATOM 0 HG12 ILE A 51 73.479 7.925 3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 51 74.327 8.251 1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 51 72.021 9.716 3.662 1.00 0.00 H new ATOM 0 HG22 ILE A 51 72.350 11.336 3.002 1.00 0.00 H new ATOM 0 HG23 ILE A 51 72.161 9.949 1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 51 75.802 7.059 3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 51 76.430 8.691 2.989 1.00 0.00 H new ATOM 0 HD13 ILE A 51 75.569 8.361 4.511 1.00 0.00 H new ATOM 355 N MET A 52 73.039 11.303 0.259 1.00 0.00 N ATOM 356 CA MET A 52 72.363 11.199 -1.055 1.00 0.00 C ATOM 357 C MET A 52 73.202 11.941 -2.083 1.00 0.00 C ATOM 358 O MET A 52 73.562 11.407 -3.106 1.00 0.00 O ATOM 359 CB MET A 52 71.000 11.862 -0.875 1.00 0.00 C ATOM 360 CG MET A 52 69.911 10.923 -1.389 1.00 0.00 C ATOM 361 SD MET A 52 69.428 11.413 -3.066 1.00 0.00 S ATOM 362 CE MET A 52 71.075 11.345 -3.818 1.00 0.00 C ATOM 0 H MET A 52 72.621 11.964 0.913 1.00 0.00 H new ATOM 0 HA MET A 52 72.244 10.171 -1.396 1.00 0.00 H new ATOM 0 HB2 MET A 52 70.831 12.093 0.177 1.00 0.00 H new ATOM 0 HB3 MET A 52 70.968 12.807 -1.418 1.00 0.00 H new ATOM 0 HG2 MET A 52 70.274 9.895 -1.390 1.00 0.00 H new ATOM 0 HG3 MET A 52 69.046 10.955 -0.726 1.00 0.00 H new ATOM 0 HE1 MET A 52 70.987 11.033 -4.859 1.00 0.00 H new ATOM 0 HE2 MET A 52 71.537 12.331 -3.772 1.00 0.00 H new ATOM 0 HE3 MET A 52 71.693 10.629 -3.276 1.00 0.00 H new ATOM 372 N GLU A 53 73.576 13.148 -1.787 1.00 0.00 N ATOM 373 CA GLU A 53 74.456 13.886 -2.722 1.00 0.00 C ATOM 374 C GLU A 53 75.633 12.971 -2.990 1.00 0.00 C ATOM 375 O GLU A 53 76.224 12.966 -4.051 1.00 0.00 O ATOM 376 CB GLU A 53 74.899 15.144 -1.975 1.00 0.00 C ATOM 377 CG GLU A 53 74.862 16.336 -2.930 1.00 0.00 C ATOM 378 CD GLU A 53 75.593 17.524 -2.299 1.00 0.00 C ATOM 379 OE1 GLU A 53 76.779 17.395 -2.041 1.00 0.00 O ATOM 380 OE2 GLU A 53 74.956 18.543 -2.091 1.00 0.00 O ATOM 0 H GLU A 53 73.312 13.654 -0.941 1.00 0.00 H new ATOM 0 HA GLU A 53 73.984 14.165 -3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 53 74.244 15.325 -1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 53 75.906 15.011 -1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 53 75.330 16.070 -3.878 1.00 0.00 H new ATOM 0 HG3 GLU A 53 73.829 16.607 -3.150 1.00 0.00 H new ATOM 387 N ALA A 54 75.941 12.164 -2.012 1.00 0.00 N ATOM 388 CA ALA A 54 77.049 11.191 -2.165 1.00 0.00 C ATOM 389 C ALA A 54 76.542 10.026 -3.004 1.00 0.00 C ATOM 390 O ALA A 54 77.266 9.442 -3.784 1.00 0.00 O ATOM 391 CB ALA A 54 77.390 10.735 -0.745 1.00 0.00 C ATOM 0 H ALA A 54 75.467 12.140 -1.109 1.00 0.00 H new ATOM 0 HA ALA A 54 77.928 11.608 -2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 54 78.204 10.012 -0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 54 77.695 11.596 -0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 54 76.514 10.272 -0.291 1.00 0.00 H new ATOM 397 N MET A 55 75.285 9.702 -2.863 1.00 0.00 N ATOM 398 CA MET A 55 74.718 8.587 -3.677 1.00 0.00 C ATOM 399 C MET A 55 74.447 9.086 -5.100 1.00 0.00 C ATOM 400 O MET A 55 74.697 8.399 -6.070 1.00 0.00 O ATOM 401 CB MET A 55 73.411 8.201 -2.988 1.00 0.00 C ATOM 402 CG MET A 55 73.714 7.314 -1.780 1.00 0.00 C ATOM 403 SD MET A 55 72.640 7.783 -0.401 1.00 0.00 S ATOM 404 CE MET A 55 71.529 6.357 -0.491 1.00 0.00 C ATOM 0 H MET A 55 74.631 10.156 -2.226 1.00 0.00 H new ATOM 0 HA MET A 55 75.395 7.736 -3.747 1.00 0.00 H new ATOM 0 HB2 MET A 55 72.877 9.096 -2.670 1.00 0.00 H new ATOM 0 HB3 MET A 55 72.761 7.673 -3.686 1.00 0.00 H new ATOM 0 HG2 MET A 55 73.557 6.266 -2.037 1.00 0.00 H new ATOM 0 HG3 MET A 55 74.760 7.419 -1.492 1.00 0.00 H new ATOM 0 HE1 MET A 55 70.907 6.323 0.404 1.00 0.00 H new ATOM 0 HE2 MET A 55 70.893 6.446 -1.372 1.00 0.00 H new ATOM 0 HE3 MET A 55 72.117 5.442 -0.559 1.00 0.00 H new ATOM 414 N GLU A 56 73.948 10.288 -5.227 1.00 0.00 N ATOM 415 CA GLU A 56 73.670 10.851 -6.577 1.00 0.00 C ATOM 416 C GLU A 56 74.990 11.089 -7.308 1.00 0.00 C ATOM 417 O GLU A 56 75.235 10.527 -8.357 1.00 0.00 O ATOM 418 CB GLU A 56 72.951 12.175 -6.315 1.00 0.00 C ATOM 419 CG GLU A 56 71.609 12.182 -7.050 1.00 0.00 C ATOM 420 CD GLU A 56 71.699 13.102 -8.269 1.00 0.00 C ATOM 421 OE1 GLU A 56 72.304 12.698 -9.249 1.00 0.00 O ATOM 422 OE2 GLU A 56 71.162 14.195 -8.202 1.00 0.00 O ATOM 0 H GLU A 56 73.721 10.905 -4.448 1.00 0.00 H new ATOM 0 HA GLU A 56 73.069 10.185 -7.197 1.00 0.00 H new ATOM 0 HB2 GLU A 56 72.792 12.309 -5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 56 73.567 13.008 -6.653 1.00 0.00 H new ATOM 0 HG2 GLU A 56 71.348 11.171 -7.363 1.00 0.00 H new ATOM 0 HG3 GLU A 56 70.818 12.523 -6.382 1.00 0.00 H new ATOM 429 N LYS A 57 75.850 11.906 -6.754 1.00 0.00 N ATOM 430 CA LYS A 57 77.164 12.159 -7.413 1.00 0.00 C ATOM 431 C LYS A 57 77.720 10.833 -7.926 1.00 0.00 C ATOM 432 O LYS A 57 77.915 10.641 -9.109 1.00 0.00 O ATOM 433 CB LYS A 57 78.059 12.727 -6.311 1.00 0.00 C ATOM 434 CG LYS A 57 77.626 14.158 -5.987 1.00 0.00 C ATOM 435 CD LYS A 57 78.442 15.137 -6.832 1.00 0.00 C ATOM 436 CE LYS A 57 79.737 15.492 -6.096 1.00 0.00 C ATOM 437 NZ LYS A 57 79.551 16.906 -5.661 1.00 0.00 N ATOM 0 H LYS A 57 75.699 12.406 -5.878 1.00 0.00 H new ATOM 0 HA LYS A 57 77.094 12.842 -8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 57 77.993 12.105 -5.418 1.00 0.00 H new ATOM 0 HB3 LYS A 57 79.101 12.715 -6.632 1.00 0.00 H new ATOM 0 HG2 LYS A 57 76.562 14.283 -6.190 1.00 0.00 H new ATOM 0 HG3 LYS A 57 77.774 14.364 -4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 57 78.672 14.694 -7.801 1.00 0.00 H new ATOM 0 HD3 LYS A 57 77.861 16.039 -7.024 1.00 0.00 H new ATOM 0 HE2 LYS A 57 79.901 14.834 -5.243 1.00 0.00 H new ATOM 0 HE3 LYS A 57 80.604 15.389 -6.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 80.050 17.540 -6.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 78.537 17.138 -5.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 79.936 17.028 -4.703 1.00 0.00 H new ATOM 451 N LEU A 58 77.950 9.908 -7.039 1.00 0.00 N ATOM 452 CA LEU A 58 78.462 8.577 -7.461 1.00 0.00 C ATOM 453 C LEU A 58 77.632 8.056 -8.639 1.00 0.00 C ATOM 454 O LEU A 58 78.143 7.445 -9.556 1.00 0.00 O ATOM 455 CB LEU A 58 78.256 7.685 -6.239 1.00 0.00 C ATOM 456 CG LEU A 58 79.156 8.163 -5.099 1.00 0.00 C ATOM 457 CD1 LEU A 58 78.816 7.392 -3.822 1.00 0.00 C ATOM 458 CD2 LEU A 58 80.618 7.921 -5.466 1.00 0.00 C ATOM 0 H LEU A 58 77.805 10.017 -6.035 1.00 0.00 H new ATOM 0 HA LEU A 58 79.503 8.607 -7.783 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.212 7.713 -5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 58 78.487 6.649 -6.489 1.00 0.00 H new ATOM 0 HG LEU A 58 78.996 9.228 -4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 58 79.458 7.733 -3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 58 77.773 7.567 -3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 58 78.975 6.326 -3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 58 81.259 8.262 -4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 58 80.780 6.856 -5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 58 80.861 8.472 -6.375 1.00 0.00 H new ATOM 470 N LYS A 59 76.349 8.294 -8.607 1.00 0.00 N ATOM 471 CA LYS A 59 75.462 7.822 -9.705 1.00 0.00 C ATOM 472 C LYS A 59 75.630 8.721 -10.936 1.00 0.00 C ATOM 473 O LYS A 59 76.140 8.306 -11.958 1.00 0.00 O ATOM 474 CB LYS A 59 74.053 7.923 -9.089 1.00 0.00 C ATOM 475 CG LYS A 59 73.062 8.582 -10.050 1.00 0.00 C ATOM 476 CD LYS A 59 71.651 8.061 -9.767 1.00 0.00 C ATOM 477 CE LYS A 59 70.752 8.343 -10.974 1.00 0.00 C ATOM 478 NZ LYS A 59 69.361 8.205 -10.454 1.00 0.00 N ATOM 0 H LYS A 59 75.874 8.800 -7.859 1.00 0.00 H new ATOM 0 HA LYS A 59 75.680 6.812 -10.054 1.00 0.00 H new ATOM 0 HB2 LYS A 59 73.698 6.926 -8.827 1.00 0.00 H new ATOM 0 HB3 LYS A 59 74.100 8.498 -8.164 1.00 0.00 H new ATOM 0 HG2 LYS A 59 73.091 9.665 -9.933 1.00 0.00 H new ATOM 0 HG3 LYS A 59 73.341 8.366 -11.081 1.00 0.00 H new ATOM 0 HD2 LYS A 59 71.681 6.990 -9.564 1.00 0.00 H new ATOM 0 HD3 LYS A 59 71.245 8.543 -8.877 1.00 0.00 H new ATOM 0 HE2 LYS A 59 70.928 9.342 -11.373 1.00 0.00 H new ATOM 0 HE3 LYS A 59 70.944 7.638 -11.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 68.684 8.384 -11.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 69.222 7.242 -10.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 69.206 8.893 -9.690 1.00 0.00 H new ATOM 492 N SER A 60 75.199 9.947 -10.834 1.00 0.00 N ATOM 493 CA SER A 60 75.320 10.895 -11.982 1.00 0.00 C ATOM 494 C SER A 60 76.652 10.682 -12.704 1.00 0.00 C ATOM 495 O SER A 60 76.711 10.633 -13.916 1.00 0.00 O ATOM 496 CB SER A 60 75.270 12.287 -11.350 1.00 0.00 C ATOM 497 OG SER A 60 74.728 12.196 -10.040 1.00 0.00 O ATOM 0 H SER A 60 74.764 10.338 -9.998 1.00 0.00 H new ATOM 0 HA SER A 60 74.532 10.753 -12.721 1.00 0.00 H new ATOM 0 HB2 SER A 60 76.271 12.716 -11.311 1.00 0.00 H new ATOM 0 HB3 SER A 60 74.661 12.953 -11.961 1.00 0.00 H new ATOM 0 HG SER A 60 73.750 12.167 -10.092 1.00 0.00 H new ATOM 503 N GLY A 61 77.719 10.546 -11.967 1.00 0.00 N ATOM 504 CA GLY A 61 79.041 10.326 -12.616 1.00 0.00 C ATOM 505 C GLY A 61 80.079 11.285 -12.029 1.00 0.00 C ATOM 506 O GLY A 61 81.038 11.642 -12.685 1.00 0.00 O ATOM 0 H GLY A 61 77.733 10.578 -10.948 1.00 0.00 H new ATOM 0 HA2 GLY A 61 79.361 9.295 -12.467 1.00 0.00 H new ATOM 0 HA3 GLY A 61 78.958 10.481 -13.692 1.00 0.00 H new ATOM 510 N MET A 62 79.916 11.699 -10.800 1.00 0.00 N ATOM 511 CA MET A 62 80.917 12.618 -10.202 1.00 0.00 C ATOM 512 C MET A 62 82.020 11.797 -9.536 1.00 0.00 C ATOM 513 O MET A 62 81.958 10.585 -9.489 1.00 0.00 O ATOM 514 CB MET A 62 80.146 13.439 -9.167 1.00 0.00 C ATOM 515 CG MET A 62 80.273 14.927 -9.505 1.00 0.00 C ATOM 516 SD MET A 62 79.068 15.362 -10.785 1.00 0.00 S ATOM 517 CE MET A 62 77.596 15.360 -9.730 1.00 0.00 C ATOM 0 H MET A 62 79.139 11.441 -10.192 1.00 0.00 H new ATOM 0 HA MET A 62 81.392 13.263 -10.941 1.00 0.00 H new ATOM 0 HB2 MET A 62 79.097 13.144 -9.160 1.00 0.00 H new ATOM 0 HB3 MET A 62 80.538 13.246 -8.168 1.00 0.00 H new ATOM 0 HG2 MET A 62 80.104 15.529 -8.612 1.00 0.00 H new ATOM 0 HG3 MET A 62 81.283 15.147 -9.852 1.00 0.00 H new ATOM 0 HE1 MET A 62 76.707 15.503 -10.345 1.00 0.00 H new ATOM 0 HE2 MET A 62 77.525 14.407 -9.206 1.00 0.00 H new ATOM 0 HE3 MET A 62 77.668 16.169 -9.003 1.00 0.00 H new ATOM 527 N ARG A 63 83.027 12.439 -9.023 1.00 0.00 N ATOM 528 CA ARG A 63 84.126 11.683 -8.366 1.00 0.00 C ATOM 529 C ARG A 63 83.569 10.583 -7.484 1.00 0.00 C ATOM 530 O ARG A 63 82.527 10.729 -6.893 1.00 0.00 O ATOM 531 CB ARG A 63 84.808 12.683 -7.453 1.00 0.00 C ATOM 532 CG ARG A 63 85.339 13.859 -8.242 1.00 0.00 C ATOM 533 CD ARG A 63 84.777 15.150 -7.633 1.00 0.00 C ATOM 534 NE ARG A 63 85.828 16.178 -7.875 1.00 0.00 N ATOM 535 CZ ARG A 63 85.495 17.434 -8.010 1.00 0.00 C ATOM 536 NH1 ARG A 63 85.029 18.099 -6.989 1.00 0.00 N ATOM 537 NH2 ARG A 63 85.630 18.023 -9.166 1.00 0.00 N ATOM 0 H ARG A 63 83.138 13.453 -9.029 1.00 0.00 H new ATOM 0 HA ARG A 63 84.786 11.239 -9.111 1.00 0.00 H new ATOM 0 HB2 ARG A 63 84.103 13.034 -6.700 1.00 0.00 H new ATOM 0 HB3 ARG A 63 85.626 12.197 -6.921 1.00 0.00 H new ATOM 0 HG2 ARG A 63 86.429 13.871 -8.216 1.00 0.00 H new ATOM 0 HG3 ARG A 63 85.046 13.776 -9.289 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.834 15.431 -8.103 1.00 0.00 H new ATOM 0 HD3 ARG A 63 84.579 15.031 -6.568 1.00 0.00 H new ATOM 0 HE ARG A 63 86.808 15.901 -7.935 1.00 0.00 H new ATOM 0 HH11 ARG A 63 84.925 17.638 -6.085 1.00 0.00 H new ATOM 0 HH12 ARG A 63 84.769 19.080 -7.095 1.00 0.00 H new ATOM 0 HH21 ARG A 63 85.995 17.503 -9.964 1.00 0.00 H new ATOM 0 HH22 ARG A 63 85.370 19.004 -9.272 1.00 0.00 H new ATOM 551 N PHE A 64 84.274 9.505 -7.344 1.00 0.00 N ATOM 552 CA PHE A 64 83.802 8.448 -6.427 1.00 0.00 C ATOM 553 C PHE A 64 84.409 8.705 -5.046 1.00 0.00 C ATOM 554 O PHE A 64 83.758 8.581 -4.021 1.00 0.00 O ATOM 555 CB PHE A 64 84.319 7.133 -7.014 1.00 0.00 C ATOM 556 CG PHE A 64 83.170 6.361 -7.615 1.00 0.00 C ATOM 557 CD1 PHE A 64 82.354 5.570 -6.797 1.00 0.00 C ATOM 558 CD2 PHE A 64 82.921 6.436 -8.990 1.00 0.00 C ATOM 559 CE1 PHE A 64 81.288 4.855 -7.355 1.00 0.00 C ATOM 560 CE2 PHE A 64 81.856 5.720 -9.548 1.00 0.00 C ATOM 561 CZ PHE A 64 81.039 4.930 -8.730 1.00 0.00 C ATOM 0 H PHE A 64 85.153 9.311 -7.823 1.00 0.00 H new ATOM 0 HA PHE A 64 82.717 8.423 -6.322 1.00 0.00 H new ATOM 0 HB2 PHE A 64 85.073 7.334 -7.775 1.00 0.00 H new ATOM 0 HB3 PHE A 64 84.801 6.541 -6.236 1.00 0.00 H new ATOM 0 HD1 PHE A 64 82.547 5.512 -5.736 1.00 0.00 H new ATOM 0 HD2 PHE A 64 83.551 7.046 -9.620 1.00 0.00 H new ATOM 0 HE1 PHE A 64 80.658 4.245 -6.724 1.00 0.00 H new ATOM 0 HE2 PHE A 64 81.664 5.777 -10.609 1.00 0.00 H new ATOM 0 HZ PHE A 64 80.216 4.378 -9.160 1.00 0.00 H new ATOM 571 N ASN A 65 85.675 9.052 -5.019 1.00 0.00 N ATOM 572 CA ASN A 65 86.348 9.289 -3.713 1.00 0.00 C ATOM 573 C ASN A 65 86.261 10.744 -3.260 1.00 0.00 C ATOM 574 O ASN A 65 86.128 10.992 -2.092 1.00 0.00 O ATOM 575 CB ASN A 65 87.793 8.855 -3.904 1.00 0.00 C ATOM 576 CG ASN A 65 88.565 9.933 -4.668 1.00 0.00 C ATOM 577 OD1 ASN A 65 88.016 10.601 -5.522 1.00 0.00 O ATOM 578 ND2 ASN A 65 89.825 10.131 -4.394 1.00 0.00 N ATOM 0 H ASN A 65 86.263 9.179 -5.842 1.00 0.00 H new ATOM 0 HA ASN A 65 85.855 8.721 -2.924 1.00 0.00 H new ATOM 0 HB2 ASN A 65 88.260 8.679 -2.935 1.00 0.00 H new ATOM 0 HB3 ASN A 65 87.829 7.913 -4.451 1.00 0.00 H new ATOM 0 HD21 ASN A 65 90.350 10.847 -4.897 1.00 0.00 H new ATOM 0 HD22 ASN A 65 90.285 9.570 -3.677 1.00 0.00 H new ATOM 585 N GLU A 66 86.325 11.719 -4.134 1.00 0.00 N ATOM 586 CA GLU A 66 86.218 13.124 -3.624 1.00 0.00 C ATOM 587 C GLU A 66 84.995 13.171 -2.720 1.00 0.00 C ATOM 588 O GLU A 66 85.071 13.502 -1.554 1.00 0.00 O ATOM 589 CB GLU A 66 86.036 14.022 -4.845 1.00 0.00 C ATOM 590 CG GLU A 66 87.308 13.997 -5.694 1.00 0.00 C ATOM 591 CD GLU A 66 88.499 14.419 -4.832 1.00 0.00 C ATOM 592 OE1 GLU A 66 88.523 15.563 -4.408 1.00 0.00 O ATOM 593 OE2 GLU A 66 89.368 13.592 -4.609 1.00 0.00 O ATOM 0 H GLU A 66 86.442 11.613 -5.142 1.00 0.00 H new ATOM 0 HA GLU A 66 87.093 13.451 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 66 85.186 13.682 -5.436 1.00 0.00 H new ATOM 0 HB3 GLU A 66 85.817 15.042 -4.529 1.00 0.00 H new ATOM 0 HG2 GLU A 66 87.471 12.997 -6.096 1.00 0.00 H new ATOM 0 HG3 GLU A 66 87.204 14.670 -6.545 1.00 0.00 H new ATOM 600 N VAL A 67 83.876 12.765 -3.240 1.00 0.00 N ATOM 601 CA VAL A 67 82.659 12.699 -2.394 1.00 0.00 C ATOM 602 C VAL A 67 83.033 11.921 -1.134 1.00 0.00 C ATOM 603 O VAL A 67 83.290 12.489 -0.093 1.00 0.00 O ATOM 604 CB VAL A 67 81.610 11.893 -3.185 1.00 0.00 C ATOM 605 CG1 VAL A 67 80.775 12.818 -4.067 1.00 0.00 C ATOM 606 CG2 VAL A 67 82.295 10.853 -4.055 1.00 0.00 C ATOM 0 H VAL A 67 83.751 12.477 -4.210 1.00 0.00 H new ATOM 0 HA VAL A 67 82.275 13.686 -2.136 1.00 0.00 H new ATOM 0 HB VAL A 67 80.955 11.395 -2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 67 80.040 12.230 -4.617 1.00 0.00 H new ATOM 0 HG12 VAL A 67 80.261 13.549 -3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 67 81.427 13.336 -4.771 1.00 0.00 H new ATOM 0 HG21 VAL A 67 81.544 10.290 -4.609 1.00 0.00 H new ATOM 0 HG22 VAL A 67 82.966 11.350 -4.756 1.00 0.00 H new ATOM 0 HG23 VAL A 67 82.868 10.172 -3.425 1.00 0.00 H new ATOM 616 N ALA A 68 83.075 10.609 -1.242 1.00 0.00 N ATOM 617 CA ALA A 68 83.444 9.753 -0.091 1.00 0.00 C ATOM 618 C ALA A 68 84.498 10.438 0.751 1.00 0.00 C ATOM 619 O ALA A 68 84.528 10.302 1.956 1.00 0.00 O ATOM 620 CB ALA A 68 84.030 8.507 -0.725 1.00 0.00 C ATOM 0 H ALA A 68 82.863 10.099 -2.099 1.00 0.00 H new ATOM 0 HA ALA A 68 82.595 9.541 0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 68 84.334 7.810 0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 68 83.281 8.035 -1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 68 84.897 8.778 -1.327 1.00 0.00 H new ATOM 626 N ALA A 69 85.365 11.189 0.128 1.00 0.00 N ATOM 627 CA ALA A 69 86.400 11.892 0.910 1.00 0.00 C ATOM 628 C ALA A 69 85.691 12.542 2.074 1.00 0.00 C ATOM 629 O ALA A 69 85.726 12.044 3.182 1.00 0.00 O ATOM 630 CB ALA A 69 87.020 12.933 -0.026 1.00 0.00 C ATOM 0 H ALA A 69 85.395 11.340 -0.880 1.00 0.00 H new ATOM 0 HA ALA A 69 87.187 11.241 1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 69 87.796 13.484 0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 69 87.458 12.431 -0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 69 86.248 13.626 -0.362 1.00 0.00 H new ATOM 636 N GLN A 70 84.989 13.609 1.847 1.00 0.00 N ATOM 637 CA GLN A 70 84.252 14.170 2.994 1.00 0.00 C ATOM 638 C GLN A 70 82.844 13.629 3.076 1.00 0.00 C ATOM 639 O GLN A 70 82.345 13.350 4.148 1.00 0.00 O ATOM 640 CB GLN A 70 84.218 15.679 2.884 1.00 0.00 C ATOM 641 CG GLN A 70 85.238 16.293 3.864 1.00 0.00 C ATOM 642 CD GLN A 70 85.351 15.472 5.188 1.00 0.00 C ATOM 643 OE1 GLN A 70 84.361 14.690 5.599 1.00 0.00 O flip ATOM 644 NE2 GLN A 70 86.361 15.548 5.858 1.00 0.00 N flip ATOM 0 H GLN A 70 84.896 14.098 0.956 1.00 0.00 H new ATOM 0 HA GLN A 70 84.772 13.874 3.905 1.00 0.00 H new ATOM 0 HB2 GLN A 70 84.450 15.984 1.864 1.00 0.00 H new ATOM 0 HB3 GLN A 70 83.217 16.047 3.107 1.00 0.00 H new ATOM 0 HG2 GLN A 70 86.216 16.343 3.385 1.00 0.00 H new ATOM 0 HG3 GLN A 70 84.945 17.317 4.097 1.00 0.00 H new ATOM 0 HE21 GLN A 70 87.130 16.145 5.555 1.00 0.00 H new ATOM 0 HE22 GLN A 70 86.440 15.015 6.724 1.00 0.00 H new ATOM 653 N TYR A 71 82.182 13.510 1.951 1.00 0.00 N ATOM 654 CA TYR A 71 80.781 13.012 1.971 1.00 0.00 C ATOM 655 C TYR A 71 80.720 11.867 2.965 1.00 0.00 C ATOM 656 O TYR A 71 79.735 11.653 3.642 1.00 0.00 O ATOM 657 CB TYR A 71 80.477 12.557 0.548 1.00 0.00 C ATOM 658 CG TYR A 71 80.349 13.764 -0.371 1.00 0.00 C ATOM 659 CD1 TYR A 71 80.925 15.013 -0.038 1.00 0.00 C ATOM 660 CD2 TYR A 71 79.639 13.629 -1.570 1.00 0.00 C ATOM 661 CE1 TYR A 71 80.781 16.100 -0.908 1.00 0.00 C ATOM 662 CE2 TYR A 71 79.499 14.722 -2.434 1.00 0.00 C ATOM 663 CZ TYR A 71 80.069 15.956 -2.102 1.00 0.00 C ATOM 664 OH TYR A 71 79.928 17.032 -2.954 1.00 0.00 O ATOM 0 H TYR A 71 82.552 13.736 1.028 1.00 0.00 H new ATOM 0 HA TYR A 71 80.049 13.760 2.275 1.00 0.00 H new ATOM 0 HB2 TYR A 71 81.270 11.900 0.191 1.00 0.00 H new ATOM 0 HB3 TYR A 71 79.553 11.979 0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 71 81.474 15.127 0.885 1.00 0.00 H new ATOM 0 HD2 TYR A 71 79.198 12.678 -1.830 1.00 0.00 H new ATOM 0 HE1 TYR A 71 81.222 17.053 -0.656 1.00 0.00 H new ATOM 0 HE2 TYR A 71 78.950 14.612 -3.358 1.00 0.00 H new ATOM 0 HH TYR A 71 80.707 17.621 -2.869 1.00 0.00 H new ATOM 674 N SER A 72 81.815 11.177 3.105 1.00 0.00 N ATOM 675 CA SER A 72 81.872 10.101 4.110 1.00 0.00 C ATOM 676 C SER A 72 82.137 10.753 5.474 1.00 0.00 C ATOM 677 O SER A 72 81.573 11.785 5.784 1.00 0.00 O ATOM 678 CB SER A 72 83.033 9.201 3.694 1.00 0.00 C ATOM 679 OG SER A 72 82.975 7.986 4.425 1.00 0.00 O ATOM 0 H SER A 72 82.668 11.317 2.564 1.00 0.00 H new ATOM 0 HA SER A 72 80.953 9.520 4.178 1.00 0.00 H new ATOM 0 HB2 SER A 72 82.984 8.997 2.624 1.00 0.00 H new ATOM 0 HB3 SER A 72 83.982 9.704 3.879 1.00 0.00 H new ATOM 0 HG SER A 72 83.627 7.353 4.059 1.00 0.00 H new ATOM 685 N GLU A 73 82.968 10.184 6.294 1.00 0.00 N ATOM 686 CA GLU A 73 83.224 10.810 7.620 1.00 0.00 C ATOM 687 C GLU A 73 84.665 10.576 8.041 1.00 0.00 C ATOM 688 O GLU A 73 85.002 10.676 9.201 1.00 0.00 O ATOM 689 CB GLU A 73 82.289 10.085 8.574 1.00 0.00 C ATOM 690 CG GLU A 73 80.895 10.711 8.498 1.00 0.00 C ATOM 691 CD GLU A 73 80.869 12.001 9.320 1.00 0.00 C ATOM 692 OE1 GLU A 73 81.102 11.924 10.516 1.00 0.00 O ATOM 693 OE2 GLU A 73 80.620 13.046 8.740 1.00 0.00 O ATOM 0 H GLU A 73 83.478 9.320 6.109 1.00 0.00 H new ATOM 0 HA GLU A 73 83.059 11.887 7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 73 82.239 9.027 8.316 1.00 0.00 H new ATOM 0 HB3 GLU A 73 82.672 10.147 9.593 1.00 0.00 H new ATOM 0 HG2 GLU A 73 80.636 10.923 7.461 1.00 0.00 H new ATOM 0 HG3 GLU A 73 80.150 10.011 8.876 1.00 0.00 H new ATOM 700 N ASP A 74 85.507 10.258 7.100 1.00 0.00 N ATOM 701 CA ASP A 74 86.950 9.992 7.418 1.00 0.00 C ATOM 702 C ASP A 74 87.615 9.234 6.262 1.00 0.00 C ATOM 703 O ASP A 74 88.180 9.820 5.360 1.00 0.00 O ATOM 704 CB ASP A 74 86.944 9.106 8.674 1.00 0.00 C ATOM 705 CG ASP A 74 88.317 8.448 8.848 1.00 0.00 C ATOM 706 OD1 ASP A 74 89.307 9.153 8.743 1.00 0.00 O ATOM 707 OD2 ASP A 74 88.352 7.252 9.084 1.00 0.00 O ATOM 0 H ASP A 74 85.262 10.168 6.114 1.00 0.00 H new ATOM 0 HA ASP A 74 87.502 10.919 7.572 1.00 0.00 H new ATOM 0 HB2 ASP A 74 86.703 9.705 9.552 1.00 0.00 H new ATOM 0 HB3 ASP A 74 86.172 8.342 8.588 1.00 0.00 H new ATOM 712 N LYS A 75 87.552 7.927 6.295 1.00 0.00 N ATOM 713 CA LYS A 75 88.179 7.111 5.217 1.00 0.00 C ATOM 714 C LYS A 75 87.651 7.537 3.847 1.00 0.00 C ATOM 715 O LYS A 75 86.582 8.102 3.728 1.00 0.00 O ATOM 716 CB LYS A 75 87.762 5.673 5.529 1.00 0.00 C ATOM 717 CG LYS A 75 88.483 4.712 4.581 1.00 0.00 C ATOM 718 CD LYS A 75 89.827 4.306 5.187 1.00 0.00 C ATOM 719 CE LYS A 75 90.435 3.172 4.360 1.00 0.00 C ATOM 720 NZ LYS A 75 91.748 2.889 5.006 1.00 0.00 N ATOM 0 H LYS A 75 87.090 7.389 7.028 1.00 0.00 H new ATOM 0 HA LYS A 75 89.262 7.230 5.184 1.00 0.00 H new ATOM 0 HB2 LYS A 75 88.005 5.430 6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 75 86.683 5.565 5.421 1.00 0.00 H new ATOM 0 HG2 LYS A 75 87.869 3.828 4.407 1.00 0.00 H new ATOM 0 HG3 LYS A 75 88.638 5.188 3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 75 90.503 5.161 5.205 1.00 0.00 H new ATOM 0 HD3 LYS A 75 89.691 3.985 6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 75 89.794 2.291 4.366 1.00 0.00 H new ATOM 0 HE3 LYS A 75 90.562 3.467 3.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 92.228 2.121 4.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 92.339 3.744 4.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 91.594 2.605 5.994 1.00 0.00 H new ATOM 799 N ASP A 81 86.909 2.000 0.831 1.00 0.00 N ATOM 800 CA ASP A 81 87.175 0.592 0.413 1.00 0.00 C ATOM 801 C ASP A 81 87.917 -0.166 1.517 1.00 0.00 C ATOM 802 O ASP A 81 89.106 -0.399 1.428 1.00 0.00 O ATOM 803 CB ASP A 81 88.054 0.708 -0.833 1.00 0.00 C ATOM 804 CG ASP A 81 87.812 -0.499 -1.740 1.00 0.00 C ATOM 805 OD1 ASP A 81 87.364 -1.515 -1.234 1.00 0.00 O ATOM 806 OD2 ASP A 81 88.080 -0.388 -2.925 1.00 0.00 O ATOM 0 HA ASP A 81 86.253 0.044 0.218 1.00 0.00 H new ATOM 0 HB2 ASP A 81 87.826 1.630 -1.368 1.00 0.00 H new ATOM 0 HB3 ASP A 81 89.105 0.757 -0.547 1.00 0.00 H new ATOM 811 N LEU A 82 87.228 -0.557 2.555 1.00 0.00 N ATOM 812 CA LEU A 82 87.909 -1.303 3.653 1.00 0.00 C ATOM 813 C LEU A 82 88.787 -2.414 3.068 1.00 0.00 C ATOM 814 O LEU A 82 89.739 -2.853 3.681 1.00 0.00 O ATOM 815 CB LEU A 82 86.778 -1.896 4.492 1.00 0.00 C ATOM 816 CG LEU A 82 86.370 -0.892 5.570 1.00 0.00 C ATOM 817 CD1 LEU A 82 85.473 0.180 4.949 1.00 0.00 C ATOM 818 CD2 LEU A 82 85.609 -1.615 6.683 1.00 0.00 C ATOM 0 H LEU A 82 86.230 -0.394 2.690 1.00 0.00 H new ATOM 0 HA LEU A 82 88.561 -0.662 4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 82 85.924 -2.133 3.857 1.00 0.00 H new ATOM 0 HB3 LEU A 82 87.102 -2.830 4.952 1.00 0.00 H new ATOM 0 HG LEU A 82 87.261 -0.425 5.989 1.00 0.00 H new ATOM 0 HD11 LEU A 82 85.180 0.898 5.715 1.00 0.00 H new ATOM 0 HD12 LEU A 82 86.017 0.696 4.158 1.00 0.00 H new ATOM 0 HD13 LEU A 82 84.582 -0.289 4.531 1.00 0.00 H new ATOM 0 HD21 LEU A 82 85.319 -0.898 7.451 1.00 0.00 H new ATOM 0 HD22 LEU A 82 84.716 -2.084 6.268 1.00 0.00 H new ATOM 0 HD23 LEU A 82 86.249 -2.379 7.124 1.00 0.00 H new ATOM 830 N GLY A 83 88.476 -2.868 1.883 1.00 0.00 N ATOM 831 CA GLY A 83 89.295 -3.946 1.258 1.00 0.00 C ATOM 832 C GLY A 83 88.530 -5.271 1.311 1.00 0.00 C ATOM 833 O GLY A 83 87.486 -5.371 1.925 1.00 0.00 O ATOM 0 H GLY A 83 87.691 -2.539 1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.525 -3.689 0.224 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.246 -4.043 1.781 1.00 0.00 H new ATOM 837 N TRP A 84 89.046 -6.288 0.672 1.00 0.00 N ATOM 838 CA TRP A 84 88.357 -7.614 0.683 1.00 0.00 C ATOM 839 C TRP A 84 87.797 -7.905 2.080 1.00 0.00 C ATOM 840 O TRP A 84 88.332 -7.459 3.074 1.00 0.00 O ATOM 841 CB TRP A 84 89.451 -8.619 0.322 1.00 0.00 C ATOM 842 CG TRP A 84 89.537 -8.760 -1.161 1.00 0.00 C ATOM 843 CD1 TRP A 84 90.558 -8.309 -1.910 1.00 0.00 C ATOM 844 CD2 TRP A 84 88.595 -9.384 -2.080 1.00 0.00 C ATOM 845 NE1 TRP A 84 90.309 -8.607 -3.238 1.00 0.00 N ATOM 846 CE2 TRP A 84 89.109 -9.272 -3.393 1.00 0.00 C ATOM 847 CE3 TRP A 84 87.357 -10.029 -1.907 1.00 0.00 C ATOM 848 CZ2 TRP A 84 88.421 -9.782 -4.495 1.00 0.00 C ATOM 849 CZ3 TRP A 84 86.663 -10.542 -3.015 1.00 0.00 C ATOM 850 CH2 TRP A 84 87.193 -10.420 -4.304 1.00 0.00 C ATOM 0 H TRP A 84 89.917 -6.258 0.142 1.00 0.00 H new ATOM 0 HA TRP A 84 87.516 -7.656 -0.009 1.00 0.00 H new ATOM 0 HB2 TRP A 84 90.409 -8.287 0.721 1.00 0.00 H new ATOM 0 HB3 TRP A 84 89.234 -9.586 0.777 1.00 0.00 H new ATOM 0 HD1 TRP A 84 91.432 -7.797 -1.536 1.00 0.00 H new ATOM 0 HE1 TRP A 84 90.934 -8.365 -4.007 1.00 0.00 H new ATOM 0 HE3 TRP A 84 86.938 -10.130 -0.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 88.835 -9.684 -5.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 85.713 -11.035 -2.871 1.00 0.00 H new ATOM 0 HH2 TRP A 84 86.653 -10.819 -5.150 1.00 0.00 H new ATOM 861 N MET A 85 86.722 -8.643 2.163 1.00 0.00 N ATOM 862 CA MET A 85 86.135 -8.952 3.501 1.00 0.00 C ATOM 863 C MET A 85 85.494 -10.342 3.488 1.00 0.00 C ATOM 864 O MET A 85 84.794 -10.703 2.565 1.00 0.00 O ATOM 865 CB MET A 85 85.069 -7.875 3.723 1.00 0.00 C ATOM 866 CG MET A 85 85.297 -7.199 5.078 1.00 0.00 C ATOM 867 SD MET A 85 86.842 -6.256 5.031 1.00 0.00 S ATOM 868 CE MET A 85 86.669 -5.450 6.642 1.00 0.00 C ATOM 0 H MET A 85 86.226 -9.044 1.367 1.00 0.00 H new ATOM 0 HA MET A 85 86.886 -8.954 4.291 1.00 0.00 H new ATOM 0 HB2 MET A 85 85.113 -7.135 2.924 1.00 0.00 H new ATOM 0 HB3 MET A 85 84.075 -8.321 3.690 1.00 0.00 H new ATOM 0 HG2 MET A 85 84.462 -6.538 5.312 1.00 0.00 H new ATOM 0 HG3 MET A 85 85.340 -7.949 5.868 1.00 0.00 H new ATOM 0 HE1 MET A 85 87.531 -4.807 6.822 1.00 0.00 H new ATOM 0 HE2 MET A 85 85.760 -4.849 6.652 1.00 0.00 H new ATOM 0 HE3 MET A 85 86.612 -6.208 7.424 1.00 0.00 H new ATOM 878 N THR A 86 85.730 -11.126 4.504 1.00 0.00 N ATOM 879 CA THR A 86 85.135 -12.488 4.541 1.00 0.00 C ATOM 880 C THR A 86 84.434 -12.729 5.879 1.00 0.00 C ATOM 881 O THR A 86 84.817 -12.192 6.899 1.00 0.00 O ATOM 882 CB THR A 86 86.322 -13.436 4.380 1.00 0.00 C ATOM 883 OG1 THR A 86 87.475 -12.853 4.970 1.00 0.00 O ATOM 884 CG2 THR A 86 86.578 -13.693 2.896 1.00 0.00 C ATOM 0 H THR A 86 86.308 -10.881 5.308 1.00 0.00 H new ATOM 0 HA THR A 86 84.384 -12.632 3.764 1.00 0.00 H new ATOM 0 HB THR A 86 86.100 -14.382 4.874 1.00 0.00 H new ATOM 0 HG1 THR A 86 88.237 -13.461 4.869 1.00 0.00 H new ATOM 0 HG21 THR A 86 87.425 -14.370 2.785 1.00 0.00 H new ATOM 0 HG22 THR A 86 85.693 -14.143 2.447 1.00 0.00 H new ATOM 0 HG23 THR A 86 86.799 -12.750 2.396 1.00 0.00 H new ATOM 892 N ARG A 87 83.410 -13.538 5.881 1.00 0.00 N ATOM 893 CA ARG A 87 82.686 -13.815 7.155 1.00 0.00 C ATOM 894 C ARG A 87 83.684 -14.153 8.264 1.00 0.00 C ATOM 895 O ARG A 87 84.229 -15.239 8.315 1.00 0.00 O ATOM 896 CB ARG A 87 81.790 -15.016 6.852 1.00 0.00 C ATOM 897 CG ARG A 87 80.427 -14.812 7.516 1.00 0.00 C ATOM 898 CD ARG A 87 80.521 -15.185 8.997 1.00 0.00 C ATOM 899 NE ARG A 87 79.471 -16.222 9.196 1.00 0.00 N ATOM 900 CZ ARG A 87 79.811 -17.451 9.478 1.00 0.00 C ATOM 901 NH1 ARG A 87 80.711 -18.062 8.757 1.00 0.00 N ATOM 902 NH2 ARG A 87 79.252 -18.068 10.483 1.00 0.00 N ATOM 0 H ARG A 87 83.044 -14.018 5.059 1.00 0.00 H new ATOM 0 HA ARG A 87 82.109 -12.956 7.498 1.00 0.00 H new ATOM 0 HB2 ARG A 87 81.669 -15.131 5.775 1.00 0.00 H new ATOM 0 HB3 ARG A 87 82.253 -15.932 7.220 1.00 0.00 H new ATOM 0 HG2 ARG A 87 80.111 -13.774 7.411 1.00 0.00 H new ATOM 0 HG3 ARG A 87 79.674 -15.426 7.022 1.00 0.00 H new ATOM 0 HD2 ARG A 87 81.510 -15.571 9.246 1.00 0.00 H new ATOM 0 HD3 ARG A 87 80.347 -14.318 9.635 1.00 0.00 H new ATOM 0 HE ARG A 87 78.486 -15.972 9.112 1.00 0.00 H new ATOM 0 HH11 ARG A 87 81.150 -17.580 7.973 1.00 0.00 H new ATOM 0 HH12 ARG A 87 80.976 -19.022 8.978 1.00 0.00 H new ATOM 0 HH21 ARG A 87 78.550 -17.590 11.048 1.00 0.00 H new ATOM 0 HH22 ARG A 87 79.517 -19.028 10.704 1.00 0.00 H new ATOM 916 N GLY A 88 83.929 -13.230 9.151 1.00 0.00 N ATOM 917 CA GLY A 88 84.893 -13.487 10.256 1.00 0.00 C ATOM 918 C GLY A 88 85.409 -12.148 10.783 1.00 0.00 C ATOM 919 O GLY A 88 85.202 -11.798 11.928 1.00 0.00 O ATOM 0 H GLY A 88 83.501 -12.304 9.158 1.00 0.00 H new ATOM 0 HA2 GLY A 88 84.409 -14.046 11.057 1.00 0.00 H new ATOM 0 HA3 GLY A 88 85.723 -14.097 9.898 1.00 0.00 H new ATOM 923 N SER A 89 86.072 -11.391 9.952 1.00 0.00 N ATOM 924 CA SER A 89 86.591 -10.069 10.401 1.00 0.00 C ATOM 925 C SER A 89 85.439 -9.067 10.500 1.00 0.00 C ATOM 926 O SER A 89 85.540 -8.050 11.157 1.00 0.00 O ATOM 927 CB SER A 89 87.585 -9.645 9.319 1.00 0.00 C ATOM 928 OG SER A 89 88.212 -10.799 8.778 1.00 0.00 O ATOM 0 H SER A 89 86.276 -11.631 8.982 1.00 0.00 H new ATOM 0 HA SER A 89 87.061 -10.115 11.384 1.00 0.00 H new ATOM 0 HB2 SER A 89 87.070 -9.094 8.532 1.00 0.00 H new ATOM 0 HB3 SER A 89 88.334 -8.974 9.740 1.00 0.00 H new ATOM 0 HG SER A 89 88.848 -10.530 8.083 1.00 0.00 H new ATOM 934 N MET A 90 84.341 -9.352 9.855 1.00 0.00 N ATOM 935 CA MET A 90 83.178 -8.422 9.912 1.00 0.00 C ATOM 936 C MET A 90 82.698 -8.275 11.359 1.00 0.00 C ATOM 937 O MET A 90 83.421 -8.557 12.293 1.00 0.00 O ATOM 938 CB MET A 90 82.103 -9.082 9.046 1.00 0.00 C ATOM 939 CG MET A 90 81.702 -8.132 7.914 1.00 0.00 C ATOM 940 SD MET A 90 82.926 -8.227 6.582 1.00 0.00 S ATOM 941 CE MET A 90 81.769 -8.533 5.223 1.00 0.00 C ATOM 0 H MET A 90 84.199 -10.190 9.290 1.00 0.00 H new ATOM 0 HA MET A 90 83.424 -7.421 9.557 1.00 0.00 H new ATOM 0 HB2 MET A 90 82.478 -10.018 8.633 1.00 0.00 H new ATOM 0 HB3 MET A 90 81.232 -9.328 9.654 1.00 0.00 H new ATOM 0 HG2 MET A 90 80.715 -8.397 7.535 1.00 0.00 H new ATOM 0 HG3 MET A 90 81.635 -7.111 8.289 1.00 0.00 H new ATOM 0 HE1 MET A 90 82.082 -7.968 4.345 1.00 0.00 H new ATOM 0 HE2 MET A 90 81.759 -9.597 4.986 1.00 0.00 H new ATOM 0 HE3 MET A 90 80.768 -8.218 5.519 1.00 0.00 H new ATOM 951 N VAL A 91 81.485 -7.835 11.555 1.00 0.00 N ATOM 952 CA VAL A 91 80.969 -7.671 12.946 1.00 0.00 C ATOM 953 C VAL A 91 79.648 -8.423 13.118 1.00 0.00 C ATOM 954 O VAL A 91 79.329 -8.899 14.190 1.00 0.00 O ATOM 955 CB VAL A 91 80.755 -6.166 13.115 1.00 0.00 C ATOM 956 CG1 VAL A 91 82.111 -5.458 13.149 1.00 0.00 C ATOM 957 CG2 VAL A 91 79.930 -5.631 11.942 1.00 0.00 C ATOM 0 H VAL A 91 80.830 -7.582 10.815 1.00 0.00 H new ATOM 0 HA VAL A 91 81.658 -8.072 13.689 1.00 0.00 H new ATOM 0 HB VAL A 91 80.223 -5.979 14.048 1.00 0.00 H new ATOM 0 HG11 VAL A 91 81.959 -4.385 13.269 1.00 0.00 H new ATOM 0 HG12 VAL A 91 82.699 -5.837 13.985 1.00 0.00 H new ATOM 0 HG13 VAL A 91 82.643 -5.646 12.217 1.00 0.00 H new ATOM 0 HG21 VAL A 91 79.778 -4.558 12.063 1.00 0.00 H new ATOM 0 HG22 VAL A 91 80.460 -5.819 11.008 1.00 0.00 H new ATOM 0 HG23 VAL A 91 78.963 -6.134 11.918 1.00 0.00 H new ATOM 967 N GLY A 92 78.877 -8.532 12.074 1.00 0.00 N ATOM 968 CA GLY A 92 77.576 -9.250 12.180 1.00 0.00 C ATOM 969 C GLY A 92 76.565 -8.596 11.234 1.00 0.00 C ATOM 970 O GLY A 92 76.266 -9.132 10.186 1.00 0.00 O ATOM 0 H GLY A 92 79.091 -8.155 11.151 1.00 0.00 H new ATOM 0 HA2 GLY A 92 77.705 -10.302 11.924 1.00 0.00 H new ATOM 0 HA3 GLY A 92 77.209 -9.214 13.206 1.00 0.00 H new ATOM 974 N PRO A 93 76.074 -7.447 11.631 1.00 0.00 N ATOM 975 CA PRO A 93 75.095 -6.711 10.799 1.00 0.00 C ATOM 976 C PRO A 93 75.721 -6.343 9.451 1.00 0.00 C ATOM 977 O PRO A 93 75.058 -6.309 8.435 1.00 0.00 O ATOM 978 CB PRO A 93 74.811 -5.460 11.636 1.00 0.00 C ATOM 979 CG PRO A 93 75.650 -5.528 12.927 1.00 0.00 C ATOM 980 CD PRO A 93 76.466 -6.828 12.920 1.00 0.00 C ATOM 0 HA PRO A 93 74.195 -7.281 10.567 1.00 0.00 H new ATOM 0 HB2 PRO A 93 75.060 -4.562 11.070 1.00 0.00 H new ATOM 0 HB3 PRO A 93 73.750 -5.400 11.878 1.00 0.00 H new ATOM 0 HG2 PRO A 93 76.314 -4.666 12.991 1.00 0.00 H new ATOM 0 HG3 PRO A 93 75.000 -5.495 13.801 1.00 0.00 H new ATOM 0 HD2 PRO A 93 77.538 -6.635 12.968 1.00 0.00 H new ATOM 0 HD3 PRO A 93 76.219 -7.466 13.768 1.00 0.00 H new ATOM 988 N PHE A 94 76.998 -6.071 9.439 1.00 0.00 N ATOM 989 CA PHE A 94 77.673 -5.708 8.161 1.00 0.00 C ATOM 990 C PHE A 94 77.655 -6.901 7.201 1.00 0.00 C ATOM 991 O PHE A 94 77.170 -6.809 6.091 1.00 0.00 O ATOM 992 CB PHE A 94 79.109 -5.355 8.554 1.00 0.00 C ATOM 993 CG PHE A 94 79.736 -4.514 7.467 1.00 0.00 C ATOM 994 CD1 PHE A 94 80.132 -5.111 6.264 1.00 0.00 C ATOM 995 CD2 PHE A 94 79.924 -3.140 7.663 1.00 0.00 C ATOM 996 CE1 PHE A 94 80.715 -4.333 5.256 1.00 0.00 C ATOM 997 CE2 PHE A 94 80.507 -2.363 6.654 1.00 0.00 C ATOM 998 CZ PHE A 94 80.902 -2.960 5.451 1.00 0.00 C ATOM 0 H PHE A 94 77.603 -6.085 10.260 1.00 0.00 H new ATOM 0 HA PHE A 94 77.178 -4.881 7.652 1.00 0.00 H new ATOM 0 HB2 PHE A 94 79.116 -4.811 9.499 1.00 0.00 H new ATOM 0 HB3 PHE A 94 79.690 -6.265 8.706 1.00 0.00 H new ATOM 0 HD1 PHE A 94 79.988 -6.171 6.114 1.00 0.00 H new ATOM 0 HD2 PHE A 94 79.620 -2.680 8.592 1.00 0.00 H new ATOM 0 HE1 PHE A 94 81.020 -4.793 4.328 1.00 0.00 H new ATOM 0 HE2 PHE A 94 80.652 -1.303 6.804 1.00 0.00 H new ATOM 0 HZ PHE A 94 81.351 -2.361 4.673 1.00 0.00 H new ATOM 1008 N GLN A 95 78.179 -8.022 7.620 1.00 0.00 N ATOM 1009 CA GLN A 95 78.188 -9.219 6.731 1.00 0.00 C ATOM 1010 C GLN A 95 76.764 -9.544 6.272 1.00 0.00 C ATOM 1011 O GLN A 95 76.519 -9.800 5.109 1.00 0.00 O ATOM 1012 CB GLN A 95 78.743 -10.349 7.597 1.00 0.00 C ATOM 1013 CG GLN A 95 78.551 -11.686 6.879 1.00 0.00 C ATOM 1014 CD GLN A 95 77.816 -12.660 7.802 1.00 0.00 C ATOM 1015 OE1 GLN A 95 77.469 -12.315 8.914 1.00 0.00 O ATOM 1016 NE2 GLN A 95 77.563 -13.870 7.387 1.00 0.00 N ATOM 0 H GLN A 95 78.601 -8.160 8.538 1.00 0.00 H new ATOM 0 HA GLN A 95 78.785 -9.064 5.832 1.00 0.00 H new ATOM 0 HB2 GLN A 95 79.801 -10.181 7.798 1.00 0.00 H new ATOM 0 HB3 GLN A 95 78.234 -10.366 8.561 1.00 0.00 H new ATOM 0 HG2 GLN A 95 77.982 -11.539 5.961 1.00 0.00 H new ATOM 0 HG3 GLN A 95 79.518 -12.099 6.593 1.00 0.00 H new ATOM 0 HE21 GLN A 95 77.854 -14.160 6.453 1.00 0.00 H new ATOM 0 HE22 GLN A 95 77.074 -14.526 7.996 1.00 0.00 H new ATOM 1025 N GLU A 96 75.822 -9.532 7.176 1.00 0.00 N ATOM 1026 CA GLU A 96 74.414 -9.837 6.792 1.00 0.00 C ATOM 1027 C GLU A 96 74.062 -9.127 5.482 1.00 0.00 C ATOM 1028 O GLU A 96 73.624 -9.741 4.528 1.00 0.00 O ATOM 1029 CB GLU A 96 73.567 -9.292 7.942 1.00 0.00 C ATOM 1030 CG GLU A 96 72.949 -10.456 8.719 1.00 0.00 C ATOM 1031 CD GLU A 96 72.232 -9.917 9.959 1.00 0.00 C ATOM 1032 OE1 GLU A 96 71.341 -9.100 9.795 1.00 0.00 O ATOM 1033 OE2 GLU A 96 72.585 -10.332 11.051 1.00 0.00 O ATOM 0 H GLU A 96 75.967 -9.324 8.164 1.00 0.00 H new ATOM 0 HA GLU A 96 74.247 -10.902 6.632 1.00 0.00 H new ATOM 0 HB2 GLU A 96 74.183 -8.685 8.605 1.00 0.00 H new ATOM 0 HB3 GLU A 96 72.782 -8.643 7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 96 72.246 -10.998 8.086 1.00 0.00 H new ATOM 0 HG3 GLU A 96 73.724 -11.164 9.013 1.00 0.00 H new ATOM 1040 N ALA A 97 74.251 -7.838 5.428 1.00 0.00 N ATOM 1041 CA ALA A 97 73.930 -7.087 4.180 1.00 0.00 C ATOM 1042 C ALA A 97 75.124 -7.114 3.225 1.00 0.00 C ATOM 1043 O ALA A 97 75.103 -7.778 2.208 1.00 0.00 O ATOM 1044 CB ALA A 97 73.646 -5.657 4.639 1.00 0.00 C ATOM 0 H ALA A 97 74.614 -7.271 6.194 1.00 0.00 H new ATOM 0 HA ALA A 97 73.084 -7.519 3.645 1.00 0.00 H new ATOM 0 HB1 ALA A 97 73.401 -5.039 3.775 1.00 0.00 H new ATOM 0 HB2 ALA A 97 72.807 -5.658 5.334 1.00 0.00 H new ATOM 0 HB3 ALA A 97 74.528 -5.252 5.136 1.00 0.00 H new ATOM 1050 N ALA A 98 76.160 -6.388 3.548 1.00 0.00 N ATOM 1051 CA ALA A 98 77.368 -6.352 2.669 1.00 0.00 C ATOM 1052 C ALA A 98 77.641 -7.732 2.063 1.00 0.00 C ATOM 1053 O ALA A 98 77.520 -7.930 0.871 1.00 0.00 O ATOM 1054 CB ALA A 98 78.515 -5.940 3.594 1.00 0.00 C ATOM 0 H ALA A 98 76.223 -5.814 4.389 1.00 0.00 H new ATOM 0 HA ALA A 98 77.243 -5.664 1.833 1.00 0.00 H new ATOM 0 HB1 ALA A 98 79.442 -5.890 3.024 1.00 0.00 H new ATOM 0 HB2 ALA A 98 78.301 -4.962 4.025 1.00 0.00 H new ATOM 0 HB3 ALA A 98 78.620 -6.674 4.393 1.00 0.00 H new ATOM 1060 N PHE A 99 78.006 -8.688 2.873 1.00 0.00 N ATOM 1061 CA PHE A 99 78.283 -10.052 2.335 1.00 0.00 C ATOM 1062 C PHE A 99 77.197 -10.450 1.332 1.00 0.00 C ATOM 1063 O PHE A 99 77.426 -11.236 0.434 1.00 0.00 O ATOM 1064 CB PHE A 99 78.255 -10.972 3.555 1.00 0.00 C ATOM 1065 CG PHE A 99 79.335 -12.018 3.419 1.00 0.00 C ATOM 1066 CD1 PHE A 99 80.673 -11.629 3.277 1.00 0.00 C ATOM 1067 CD2 PHE A 99 79.001 -13.377 3.437 1.00 0.00 C ATOM 1068 CE1 PHE A 99 81.675 -12.598 3.153 1.00 0.00 C ATOM 1069 CE2 PHE A 99 80.003 -14.347 3.314 1.00 0.00 C ATOM 1070 CZ PHE A 99 81.341 -13.957 3.172 1.00 0.00 C ATOM 0 H PHE A 99 78.124 -8.585 3.881 1.00 0.00 H new ATOM 0 HA PHE A 99 79.236 -10.106 1.809 1.00 0.00 H new ATOM 0 HB2 PHE A 99 78.408 -10.392 4.465 1.00 0.00 H new ATOM 0 HB3 PHE A 99 77.279 -11.450 3.641 1.00 0.00 H new ATOM 0 HD1 PHE A 99 80.932 -10.581 3.263 1.00 0.00 H new ATOM 0 HD2 PHE A 99 77.969 -13.678 3.546 1.00 0.00 H new ATOM 0 HE1 PHE A 99 82.706 -12.297 3.043 1.00 0.00 H new ATOM 0 HE2 PHE A 99 79.745 -15.396 3.329 1.00 0.00 H new ATOM 0 HZ PHE A 99 82.114 -14.705 3.077 1.00 0.00 H new ATOM 1080 N ALA A 100 76.018 -9.911 1.477 1.00 0.00 N ATOM 1081 CA ALA A 100 74.918 -10.254 0.531 1.00 0.00 C ATOM 1082 C ALA A 100 74.812 -9.184 -0.558 1.00 0.00 C ATOM 1083 O ALA A 100 74.245 -9.407 -1.610 1.00 0.00 O ATOM 1084 CB ALA A 100 73.650 -10.275 1.386 1.00 0.00 C ATOM 0 H ALA A 100 75.768 -9.247 2.210 1.00 0.00 H new ATOM 0 HA ALA A 100 75.085 -11.207 0.029 1.00 0.00 H new ATOM 0 HB1 ALA A 100 72.793 -10.521 0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 100 73.753 -11.024 2.171 1.00 0.00 H new ATOM 0 HB3 ALA A 100 73.500 -9.295 1.838 1.00 0.00 H new ATOM 1090 N LEU A 101 75.350 -8.022 -0.311 1.00 0.00 N ATOM 1091 CA LEU A 101 75.280 -6.936 -1.326 1.00 0.00 C ATOM 1092 C LEU A 101 76.069 -7.328 -2.581 1.00 0.00 C ATOM 1093 O LEU A 101 77.277 -7.445 -2.531 1.00 0.00 O ATOM 1094 CB LEU A 101 75.936 -5.727 -0.660 1.00 0.00 C ATOM 1095 CG LEU A 101 75.028 -5.182 0.444 1.00 0.00 C ATOM 1096 CD1 LEU A 101 75.524 -3.800 0.872 1.00 0.00 C ATOM 1097 CD2 LEU A 101 73.594 -5.070 -0.072 1.00 0.00 C ATOM 0 H LEU A 101 75.836 -7.778 0.552 1.00 0.00 H new ATOM 0 HA LEU A 101 74.255 -6.735 -1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 101 76.901 -6.011 -0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 101 76.126 -4.951 -1.402 1.00 0.00 H new ATOM 0 HG LEU A 101 75.050 -5.861 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 101 74.879 -3.409 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 101 76.545 -3.880 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 101 75.503 -3.125 0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 101 72.952 -4.681 0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 101 73.567 -4.394 -0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 101 73.239 -6.055 -0.376 1.00 0.00 H new ATOM 1109 N PRO A 102 75.373 -7.504 -3.677 1.00 0.00 N ATOM 1110 CA PRO A 102 76.049 -7.863 -4.941 1.00 0.00 C ATOM 1111 C PRO A 102 77.051 -6.766 -5.293 1.00 0.00 C ATOM 1112 O PRO A 102 76.777 -5.597 -5.113 1.00 0.00 O ATOM 1113 CB PRO A 102 74.895 -7.883 -5.947 1.00 0.00 C ATOM 1114 CG PRO A 102 73.590 -7.513 -5.209 1.00 0.00 C ATOM 1115 CD PRO A 102 73.900 -7.350 -3.716 1.00 0.00 C ATOM 0 HA PRO A 102 76.599 -8.803 -4.909 1.00 0.00 H new ATOM 0 HB2 PRO A 102 75.086 -7.177 -6.755 1.00 0.00 H new ATOM 0 HB3 PRO A 102 74.806 -8.870 -6.401 1.00 0.00 H new ATOM 0 HG2 PRO A 102 73.177 -6.589 -5.612 1.00 0.00 H new ATOM 0 HG3 PRO A 102 72.839 -8.289 -5.357 1.00 0.00 H new ATOM 0 HD2 PRO A 102 73.583 -6.377 -3.339 1.00 0.00 H new ATOM 0 HD3 PRO A 102 73.397 -8.105 -3.112 1.00 0.00 H new ATOM 1123 N VAL A 103 78.208 -7.111 -5.786 1.00 0.00 N ATOM 1124 CA VAL A 103 79.189 -6.042 -6.129 1.00 0.00 C ATOM 1125 C VAL A 103 78.474 -4.934 -6.895 1.00 0.00 C ATOM 1126 O VAL A 103 77.560 -5.174 -7.658 1.00 0.00 O ATOM 1127 CB VAL A 103 80.268 -6.695 -6.992 1.00 0.00 C ATOM 1128 CG1 VAL A 103 79.615 -7.657 -7.950 1.00 0.00 C ATOM 1129 CG2 VAL A 103 81.011 -5.628 -7.799 1.00 0.00 C ATOM 0 H VAL A 103 78.514 -8.068 -5.964 1.00 0.00 H new ATOM 0 HA VAL A 103 79.636 -5.598 -5.240 1.00 0.00 H new ATOM 0 HB VAL A 103 80.973 -7.219 -6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 103 80.378 -8.128 -8.570 1.00 0.00 H new ATOM 0 HG12 VAL A 103 79.080 -8.423 -7.388 1.00 0.00 H new ATOM 0 HG13 VAL A 103 78.913 -7.117 -8.586 1.00 0.00 H new ATOM 0 HG21 VAL A 103 81.778 -6.103 -8.411 1.00 0.00 H new ATOM 0 HG22 VAL A 103 80.306 -5.103 -8.444 1.00 0.00 H new ATOM 0 HG23 VAL A 103 81.479 -4.917 -7.118 1.00 0.00 H new ATOM 1139 N SER A 104 78.895 -3.729 -6.676 1.00 0.00 N ATOM 1140 CA SER A 104 78.275 -2.542 -7.353 1.00 0.00 C ATOM 1141 C SER A 104 78.603 -1.255 -6.580 1.00 0.00 C ATOM 1142 O SER A 104 79.378 -0.435 -7.028 1.00 0.00 O ATOM 1143 CB SER A 104 76.765 -2.789 -7.339 1.00 0.00 C ATOM 1144 OG SER A 104 76.380 -3.390 -8.567 1.00 0.00 O ATOM 0 H SER A 104 79.661 -3.500 -6.043 1.00 0.00 H new ATOM 0 HA SER A 104 78.654 -2.421 -8.368 1.00 0.00 H new ATOM 0 HB2 SER A 104 76.498 -3.436 -6.504 1.00 0.00 H new ATOM 0 HB3 SER A 104 76.232 -1.849 -7.197 1.00 0.00 H new ATOM 0 HG SER A 104 76.468 -4.363 -8.497 1.00 0.00 H new ATOM 1150 N GLY A 105 78.025 -1.078 -5.416 1.00 0.00 N ATOM 1151 CA GLY A 105 78.312 0.147 -4.615 1.00 0.00 C ATOM 1152 C GLY A 105 77.392 1.301 -5.019 1.00 0.00 C ATOM 1153 O GLY A 105 76.584 1.180 -5.917 1.00 0.00 O ATOM 0 H GLY A 105 77.368 -1.730 -4.989 1.00 0.00 H new ATOM 0 HA2 GLY A 105 78.183 -0.070 -3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 105 79.352 0.441 -4.756 1.00 0.00 H new ATOM 1157 N MET A 106 77.522 2.425 -4.350 1.00 0.00 N ATOM 1158 CA MET A 106 76.683 3.618 -4.661 1.00 0.00 C ATOM 1159 C MET A 106 75.250 3.423 -4.140 1.00 0.00 C ATOM 1160 O MET A 106 75.018 3.470 -2.948 1.00 0.00 O ATOM 1161 CB MET A 106 76.744 3.756 -6.179 1.00 0.00 C ATOM 1162 CG MET A 106 76.315 5.171 -6.582 1.00 0.00 C ATOM 1163 SD MET A 106 74.763 5.102 -7.510 1.00 0.00 S ATOM 1164 CE MET A 106 75.352 4.062 -8.868 1.00 0.00 C ATOM 0 H MET A 106 78.187 2.563 -3.589 1.00 0.00 H new ATOM 0 HA MET A 106 77.041 4.526 -4.175 1.00 0.00 H new ATOM 0 HB2 MET A 106 77.756 3.557 -6.532 1.00 0.00 H new ATOM 0 HB3 MET A 106 76.092 3.019 -6.648 1.00 0.00 H new ATOM 0 HG2 MET A 106 76.190 5.790 -5.693 1.00 0.00 H new ATOM 0 HG3 MET A 106 77.091 5.637 -7.189 1.00 0.00 H new ATOM 0 HE1 MET A 106 74.906 4.399 -9.804 1.00 0.00 H new ATOM 0 HE2 MET A 106 76.437 4.133 -8.937 1.00 0.00 H new ATOM 0 HE3 MET A 106 75.068 3.026 -8.683 1.00 0.00 H new ATOM 1174 N ASP A 107 74.279 3.214 -4.994 1.00 0.00 N ATOM 1175 CA ASP A 107 72.890 3.038 -4.477 1.00 0.00 C ATOM 1176 C ASP A 107 71.897 2.743 -5.609 1.00 0.00 C ATOM 1177 O ASP A 107 70.947 3.474 -5.810 1.00 0.00 O ATOM 1178 CB ASP A 107 72.554 4.376 -3.818 1.00 0.00 C ATOM 1179 CG ASP A 107 71.093 4.370 -3.365 1.00 0.00 C ATOM 1180 OD1 ASP A 107 70.712 3.443 -2.671 1.00 0.00 O ATOM 1181 OD2 ASP A 107 70.379 5.293 -3.723 1.00 0.00 O ATOM 0 H ASP A 107 74.385 3.159 -6.007 1.00 0.00 H new ATOM 0 HA ASP A 107 72.823 2.195 -3.789 1.00 0.00 H new ATOM 0 HB2 ASP A 107 73.210 4.548 -2.964 1.00 0.00 H new ATOM 0 HB3 ASP A 107 72.725 5.192 -4.520 1.00 0.00 H new ATOM 1186 N LYS A 108 72.089 1.678 -6.338 1.00 0.00 N ATOM 1187 CA LYS A 108 71.130 1.359 -7.433 1.00 0.00 C ATOM 1188 C LYS A 108 71.186 -0.140 -7.797 1.00 0.00 C ATOM 1189 O LYS A 108 70.222 -0.846 -7.575 1.00 0.00 O ATOM 1190 CB LYS A 108 71.539 2.274 -8.591 1.00 0.00 C ATOM 1191 CG LYS A 108 71.107 1.665 -9.929 1.00 0.00 C ATOM 1192 CD LYS A 108 71.760 2.440 -11.079 1.00 0.00 C ATOM 1193 CE LYS A 108 71.417 3.927 -10.957 1.00 0.00 C ATOM 1194 NZ LYS A 108 69.992 4.026 -11.381 1.00 0.00 N ATOM 0 H LYS A 108 72.861 1.021 -6.225 1.00 0.00 H new ATOM 0 HA LYS A 108 70.092 1.534 -7.151 1.00 0.00 H new ATOM 0 HB2 LYS A 108 71.082 3.256 -8.466 1.00 0.00 H new ATOM 0 HB3 LYS A 108 72.619 2.422 -8.583 1.00 0.00 H new ATOM 0 HG2 LYS A 108 71.397 0.615 -9.973 1.00 0.00 H new ATOM 0 HG3 LYS A 108 70.022 1.700 -10.023 1.00 0.00 H new ATOM 0 HD2 LYS A 108 72.841 2.303 -11.056 1.00 0.00 H new ATOM 0 HD3 LYS A 108 71.410 2.053 -12.036 1.00 0.00 H new ATOM 0 HE2 LYS A 108 71.551 4.281 -9.935 1.00 0.00 H new ATOM 0 HE3 LYS A 108 72.062 4.535 -11.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 69.901 4.745 -12.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 69.674 3.106 -11.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 69.405 4.297 -10.566 1.00 0.00 H new ATOM 1208 N PRO A 109 72.298 -0.599 -8.332 1.00 0.00 N ATOM 1209 CA PRO A 109 72.418 -2.034 -8.694 1.00 0.00 C ATOM 1210 C PRO A 109 72.211 -2.924 -7.463 1.00 0.00 C ATOM 1211 O PRO A 109 71.532 -3.930 -7.520 1.00 0.00 O ATOM 1212 CB PRO A 109 73.858 -2.138 -9.196 1.00 0.00 C ATOM 1213 CG PRO A 109 74.517 -0.749 -9.099 1.00 0.00 C ATOM 1214 CD PRO A 109 73.475 0.261 -8.609 1.00 0.00 C ATOM 0 HA PRO A 109 71.678 -2.358 -9.426 1.00 0.00 H new ATOM 0 HB2 PRO A 109 74.414 -2.862 -8.601 1.00 0.00 H new ATOM 0 HB3 PRO A 109 73.874 -2.493 -10.227 1.00 0.00 H new ATOM 0 HG2 PRO A 109 75.363 -0.780 -8.413 1.00 0.00 H new ATOM 0 HG3 PRO A 109 74.906 -0.448 -10.072 1.00 0.00 H new ATOM 0 HD2 PRO A 109 73.810 0.789 -7.716 1.00 0.00 H new ATOM 0 HD3 PRO A 109 73.257 1.017 -9.363 1.00 0.00 H new ATOM 1222 N VAL A 110 72.807 -2.567 -6.355 1.00 0.00 N ATOM 1223 CA VAL A 110 72.661 -3.389 -5.116 1.00 0.00 C ATOM 1224 C VAL A 110 71.177 -3.629 -4.788 1.00 0.00 C ATOM 1225 O VAL A 110 70.310 -3.466 -5.623 1.00 0.00 O ATOM 1226 CB VAL A 110 73.344 -2.558 -4.022 1.00 0.00 C ATOM 1227 CG1 VAL A 110 72.362 -1.534 -3.450 1.00 0.00 C ATOM 1228 CG2 VAL A 110 73.822 -3.482 -2.903 1.00 0.00 C ATOM 0 H VAL A 110 73.392 -1.737 -6.254 1.00 0.00 H new ATOM 0 HA VAL A 110 73.107 -4.378 -5.218 1.00 0.00 H new ATOM 0 HB VAL A 110 74.196 -2.033 -4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 110 72.857 -0.949 -2.674 1.00 0.00 H new ATOM 0 HG12 VAL A 110 72.025 -0.870 -4.246 1.00 0.00 H new ATOM 0 HG13 VAL A 110 71.504 -2.052 -3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 110 74.307 -2.891 -2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 110 72.969 -4.010 -2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 110 74.532 -4.205 -3.306 1.00 0.00 H new ATOM 1238 N PHE A 111 70.881 -4.017 -3.575 1.00 0.00 N ATOM 1239 CA PHE A 111 69.459 -4.273 -3.201 1.00 0.00 C ATOM 1240 C PHE A 111 69.001 -3.311 -2.098 1.00 0.00 C ATOM 1241 O PHE A 111 68.306 -2.348 -2.352 1.00 0.00 O ATOM 1242 CB PHE A 111 69.441 -5.716 -2.693 1.00 0.00 C ATOM 1243 CG PHE A 111 69.485 -6.659 -3.871 1.00 0.00 C ATOM 1244 CD1 PHE A 111 68.540 -6.544 -4.897 1.00 0.00 C ATOM 1245 CD2 PHE A 111 70.473 -7.649 -3.937 1.00 0.00 C ATOM 1246 CE1 PHE A 111 68.582 -7.419 -5.990 1.00 0.00 C ATOM 1247 CE2 PHE A 111 70.514 -8.524 -5.030 1.00 0.00 C ATOM 1248 CZ PHE A 111 69.570 -8.408 -6.056 1.00 0.00 C ATOM 0 H PHE A 111 71.560 -4.167 -2.829 1.00 0.00 H new ATOM 0 HA PHE A 111 68.784 -4.121 -4.043 1.00 0.00 H new ATOM 0 HB2 PHE A 111 70.294 -5.894 -2.038 1.00 0.00 H new ATOM 0 HB3 PHE A 111 68.542 -5.895 -2.102 1.00 0.00 H new ATOM 0 HD1 PHE A 111 67.778 -5.780 -4.846 1.00 0.00 H new ATOM 0 HD2 PHE A 111 71.203 -7.738 -3.146 1.00 0.00 H new ATOM 0 HE1 PHE A 111 67.852 -7.330 -6.781 1.00 0.00 H new ATOM 0 HE2 PHE A 111 71.275 -9.289 -5.081 1.00 0.00 H new ATOM 0 HZ PHE A 111 69.604 -9.082 -6.899 1.00 0.00 H new ATOM 1258 N THR A 112 69.375 -3.572 -0.875 1.00 0.00 N ATOM 1259 CA THR A 112 68.949 -2.680 0.246 1.00 0.00 C ATOM 1260 C THR A 112 69.545 -1.281 0.086 1.00 0.00 C ATOM 1261 O THR A 112 70.203 -0.979 -0.891 1.00 0.00 O ATOM 1262 CB THR A 112 69.490 -3.336 1.518 1.00 0.00 C ATOM 1263 OG1 THR A 112 69.347 -2.435 2.607 1.00 0.00 O ATOM 1264 CG2 THR A 112 70.967 -3.682 1.332 1.00 0.00 C ATOM 0 H THR A 112 69.957 -4.364 -0.602 1.00 0.00 H new ATOM 0 HA THR A 112 67.866 -2.563 0.271 1.00 0.00 H new ATOM 0 HB THR A 112 68.931 -4.249 1.722 1.00 0.00 H new ATOM 0 HG1 THR A 112 69.691 -2.852 3.424 1.00 0.00 H new ATOM 0 HG21 THR A 112 71.348 -4.149 2.240 1.00 0.00 H new ATOM 0 HG22 THR A 112 71.076 -4.372 0.496 1.00 0.00 H new ATOM 0 HG23 THR A 112 71.531 -2.772 1.128 1.00 0.00 H new ATOM 1272 N ASP A 113 69.323 -0.429 1.048 1.00 0.00 N ATOM 1273 CA ASP A 113 69.877 0.954 0.970 1.00 0.00 C ATOM 1274 C ASP A 113 71.356 0.939 1.383 1.00 0.00 C ATOM 1275 O ASP A 113 71.716 0.287 2.343 1.00 0.00 O ATOM 1276 CB ASP A 113 69.049 1.767 1.966 1.00 0.00 C ATOM 1277 CG ASP A 113 69.203 1.169 3.365 1.00 0.00 C ATOM 1278 OD1 ASP A 113 70.112 1.581 4.067 1.00 0.00 O ATOM 1279 OD2 ASP A 113 68.408 0.310 3.712 1.00 0.00 O ATOM 0 H ASP A 113 68.780 -0.631 1.888 1.00 0.00 H new ATOM 0 HA ASP A 113 69.825 1.373 -0.035 1.00 0.00 H new ATOM 0 HB2 ASP A 113 69.377 2.806 1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 113 68.000 1.764 1.671 1.00 0.00 H new ATOM 1284 N PRO A 114 72.174 1.647 0.643 1.00 0.00 N ATOM 1285 CA PRO A 114 73.622 1.691 0.946 1.00 0.00 C ATOM 1286 C PRO A 114 73.906 2.163 2.383 1.00 0.00 C ATOM 1287 O PRO A 114 74.516 1.436 3.137 1.00 0.00 O ATOM 1288 CB PRO A 114 74.163 2.670 -0.097 1.00 0.00 C ATOM 1289 CG PRO A 114 72.988 3.160 -0.967 1.00 0.00 C ATOM 1290 CD PRO A 114 71.709 2.431 -0.528 1.00 0.00 C ATOM 0 HA PRO A 114 74.093 0.709 0.896 1.00 0.00 H new ATOM 0 HB2 PRO A 114 74.649 3.514 0.392 1.00 0.00 H new ATOM 0 HB3 PRO A 114 74.916 2.184 -0.717 1.00 0.00 H new ATOM 0 HG2 PRO A 114 72.863 4.238 -0.861 1.00 0.00 H new ATOM 0 HG3 PRO A 114 73.191 2.965 -2.020 1.00 0.00 H new ATOM 0 HD2 PRO A 114 70.915 3.129 -0.260 1.00 0.00 H new ATOM 0 HD3 PRO A 114 71.316 1.789 -1.317 1.00 0.00 H new ATOM 1298 N PRO A 115 73.469 3.358 2.719 1.00 0.00 N ATOM 1299 CA PRO A 115 73.703 3.917 4.082 1.00 0.00 C ATOM 1300 C PRO A 115 73.153 2.975 5.160 1.00 0.00 C ATOM 1301 O PRO A 115 72.153 3.258 5.791 1.00 0.00 O ATOM 1302 CB PRO A 115 72.899 5.221 4.047 1.00 0.00 C ATOM 1303 CG PRO A 115 72.230 5.354 2.666 1.00 0.00 C ATOM 1304 CD PRO A 115 72.706 4.201 1.775 1.00 0.00 C ATOM 0 HA PRO A 115 74.758 4.057 4.319 1.00 0.00 H new ATOM 0 HB2 PRO A 115 72.144 5.220 4.834 1.00 0.00 H new ATOM 0 HB3 PRO A 115 73.553 6.073 4.233 1.00 0.00 H new ATOM 0 HG2 PRO A 115 71.145 5.329 2.768 1.00 0.00 H new ATOM 0 HG3 PRO A 115 72.486 6.312 2.213 1.00 0.00 H new ATOM 0 HD2 PRO A 115 71.870 3.659 1.332 1.00 0.00 H new ATOM 0 HD3 PRO A 115 73.328 4.554 0.953 1.00 0.00 H new ATOM 1312 N VAL A 116 73.793 1.859 5.381 1.00 0.00 N ATOM 1313 CA VAL A 116 73.302 0.910 6.418 1.00 0.00 C ATOM 1314 C VAL A 116 73.943 1.244 7.767 1.00 0.00 C ATOM 1315 O VAL A 116 75.046 1.750 7.830 1.00 0.00 O ATOM 1316 CB VAL A 116 73.743 -0.474 5.933 1.00 0.00 C ATOM 1317 CG1 VAL A 116 73.476 -0.604 4.429 1.00 0.00 C ATOM 1318 CG2 VAL A 116 75.237 -0.661 6.206 1.00 0.00 C ATOM 0 H VAL A 116 74.635 1.564 4.887 1.00 0.00 H new ATOM 0 HA VAL A 116 72.222 0.960 6.555 1.00 0.00 H new ATOM 0 HB VAL A 116 73.179 -1.239 6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 116 73.791 -1.590 4.087 1.00 0.00 H new ATOM 0 HG12 VAL A 116 72.411 -0.476 4.236 1.00 0.00 H new ATOM 0 HG13 VAL A 116 74.036 0.162 3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 116 75.549 -1.646 5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 116 75.802 0.106 5.676 1.00 0.00 H new ATOM 0 HG23 VAL A 116 75.425 -0.576 7.276 1.00 0.00 H new ATOM 1328 N LYS A 117 73.263 0.978 8.847 1.00 0.00 N ATOM 1329 CA LYS A 117 73.848 1.298 10.178 1.00 0.00 C ATOM 1330 C LYS A 117 74.418 0.049 10.846 1.00 0.00 C ATOM 1331 O LYS A 117 73.860 -1.027 10.761 1.00 0.00 O ATOM 1332 CB LYS A 117 72.691 1.862 10.996 1.00 0.00 C ATOM 1333 CG LYS A 117 73.255 2.719 12.131 1.00 0.00 C ATOM 1334 CD LYS A 117 72.494 4.045 12.193 1.00 0.00 C ATOM 1335 CE LYS A 117 71.618 4.071 13.447 1.00 0.00 C ATOM 1336 NZ LYS A 117 70.402 4.834 13.049 1.00 0.00 N ATOM 0 H LYS A 117 72.335 0.556 8.866 1.00 0.00 H new ATOM 0 HA LYS A 117 74.675 2.003 10.093 1.00 0.00 H new ATOM 0 HB2 LYS A 117 72.038 2.461 10.361 1.00 0.00 H new ATOM 0 HB3 LYS A 117 72.086 1.051 11.401 1.00 0.00 H new ATOM 0 HG2 LYS A 117 73.165 2.190 13.080 1.00 0.00 H new ATOM 0 HG3 LYS A 117 74.317 2.904 11.969 1.00 0.00 H new ATOM 0 HD2 LYS A 117 73.196 4.879 12.209 1.00 0.00 H new ATOM 0 HD3 LYS A 117 71.877 4.165 11.303 1.00 0.00 H new ATOM 0 HE2 LYS A 117 71.363 3.062 13.772 1.00 0.00 H new ATOM 0 HE3 LYS A 117 72.132 4.553 14.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 69.751 4.895 13.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 70.675 5.792 12.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 69.930 4.348 12.260 1.00 0.00 H new ATOM 1350 N THR A 118 75.532 0.190 11.514 1.00 0.00 N ATOM 1351 CA THR A 118 76.154 -0.979 12.197 1.00 0.00 C ATOM 1352 C THR A 118 77.515 -0.587 12.781 1.00 0.00 C ATOM 1353 O THR A 118 78.421 -1.393 12.854 1.00 0.00 O ATOM 1354 CB THR A 118 76.334 -2.026 11.098 1.00 0.00 C ATOM 1355 OG1 THR A 118 77.210 -3.046 11.558 1.00 0.00 O ATOM 1356 CG2 THR A 118 76.929 -1.360 9.857 1.00 0.00 C ATOM 0 H THR A 118 76.039 1.069 11.616 1.00 0.00 H new ATOM 0 HA THR A 118 75.544 -1.347 13.022 1.00 0.00 H new ATOM 0 HB THR A 118 75.368 -2.464 10.847 1.00 0.00 H new ATOM 0 HG1 THR A 118 78.081 -2.654 11.779 1.00 0.00 H new ATOM 0 HG21 THR A 118 77.059 -2.104 9.071 1.00 0.00 H new ATOM 0 HG22 THR A 118 76.257 -0.576 9.507 1.00 0.00 H new ATOM 0 HG23 THR A 118 77.896 -0.924 10.107 1.00 0.00 H new ATOM 1364 N LYS A 119 77.671 0.642 13.196 1.00 0.00 N ATOM 1365 CA LYS A 119 78.981 1.066 13.768 1.00 0.00 C ATOM 1366 C LYS A 119 78.936 2.530 14.220 1.00 0.00 C ATOM 1367 O LYS A 119 78.970 2.822 15.400 1.00 0.00 O ATOM 1368 CB LYS A 119 79.983 0.894 12.625 1.00 0.00 C ATOM 1369 CG LYS A 119 81.307 0.372 13.184 1.00 0.00 C ATOM 1370 CD LYS A 119 81.698 -0.912 12.451 1.00 0.00 C ATOM 1371 CE LYS A 119 83.186 -0.866 12.098 1.00 0.00 C ATOM 1372 NZ LYS A 119 83.470 -2.187 11.471 1.00 0.00 N ATOM 0 H LYS A 119 76.953 1.366 13.164 1.00 0.00 H new ATOM 0 HA LYS A 119 79.247 0.479 14.647 1.00 0.00 H new ATOM 0 HB2 LYS A 119 79.589 0.199 11.883 1.00 0.00 H new ATOM 0 HB3 LYS A 119 80.140 1.846 12.118 1.00 0.00 H new ATOM 0 HG2 LYS A 119 82.087 1.124 13.064 1.00 0.00 H new ATOM 0 HG3 LYS A 119 81.212 0.179 14.253 1.00 0.00 H new ATOM 0 HD2 LYS A 119 81.489 -1.779 13.078 1.00 0.00 H new ATOM 0 HD3 LYS A 119 81.102 -1.022 11.545 1.00 0.00 H new ATOM 0 HE2 LYS A 119 83.405 -0.048 11.412 1.00 0.00 H new ATOM 0 HE3 LYS A 119 83.798 -0.710 12.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 84.473 -2.234 11.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 83.259 -2.946 12.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 82.877 -2.304 10.625 1.00 0.00 H new ATOM 1386 N PHE A 120 78.876 3.454 13.298 1.00 0.00 N ATOM 1387 CA PHE A 120 78.851 4.893 13.695 1.00 0.00 C ATOM 1388 C PHE A 120 77.808 5.673 12.886 1.00 0.00 C ATOM 1389 O PHE A 120 78.019 6.816 12.530 1.00 0.00 O ATOM 1390 CB PHE A 120 80.255 5.408 13.380 1.00 0.00 C ATOM 1391 CG PHE A 120 80.967 5.747 14.667 1.00 0.00 C ATOM 1392 CD1 PHE A 120 80.334 6.546 15.628 1.00 0.00 C ATOM 1393 CD2 PHE A 120 82.261 5.266 14.899 1.00 0.00 C ATOM 1394 CE1 PHE A 120 80.996 6.860 16.821 1.00 0.00 C ATOM 1395 CE2 PHE A 120 82.922 5.581 16.091 1.00 0.00 C ATOM 1396 CZ PHE A 120 82.289 6.379 17.053 1.00 0.00 C ATOM 0 H PHE A 120 78.843 3.277 12.294 1.00 0.00 H new ATOM 0 HA PHE A 120 78.583 5.017 14.744 1.00 0.00 H new ATOM 0 HB2 PHE A 120 80.816 4.653 12.830 1.00 0.00 H new ATOM 0 HB3 PHE A 120 80.196 6.289 12.742 1.00 0.00 H new ATOM 0 HD1 PHE A 120 79.337 6.919 15.449 1.00 0.00 H new ATOM 0 HD2 PHE A 120 82.749 4.651 14.157 1.00 0.00 H new ATOM 0 HE1 PHE A 120 80.508 7.474 17.563 1.00 0.00 H new ATOM 0 HE2 PHE A 120 83.920 5.209 16.270 1.00 0.00 H new ATOM 0 HZ PHE A 120 82.799 6.623 17.973 1.00 0.00 H new ATOM 1406 N GLY A 121 76.688 5.075 12.592 1.00 0.00 N ATOM 1407 CA GLY A 121 75.648 5.803 11.810 1.00 0.00 C ATOM 1408 C GLY A 121 75.325 5.022 10.544 1.00 0.00 C ATOM 1409 O GLY A 121 75.518 3.829 10.478 1.00 0.00 O ATOM 0 H GLY A 121 76.447 4.120 12.857 1.00 0.00 H new ATOM 0 HA2 GLY A 121 74.748 5.930 12.411 1.00 0.00 H new ATOM 0 HA3 GLY A 121 76.003 6.801 11.554 1.00 0.00 H new ATOM 1413 N TYR A 122 74.844 5.684 9.533 1.00 0.00 N ATOM 1414 CA TYR A 122 74.531 4.969 8.269 1.00 0.00 C ATOM 1415 C TYR A 122 75.773 4.981 7.375 1.00 0.00 C ATOM 1416 O TYR A 122 76.458 5.977 7.266 1.00 0.00 O ATOM 1417 CB TYR A 122 73.410 5.770 7.614 1.00 0.00 C ATOM 1418 CG TYR A 122 72.059 5.376 8.155 1.00 0.00 C ATOM 1419 CD1 TYR A 122 71.778 4.046 8.496 1.00 0.00 C ATOM 1420 CD2 TYR A 122 71.074 6.357 8.301 1.00 0.00 C ATOM 1421 CE1 TYR A 122 70.510 3.704 8.983 1.00 0.00 C ATOM 1422 CE2 TYR A 122 69.811 6.017 8.788 1.00 0.00 C ATOM 1423 CZ TYR A 122 69.526 4.690 9.128 1.00 0.00 C ATOM 1424 OH TYR A 122 68.277 4.353 9.609 1.00 0.00 O ATOM 0 H TYR A 122 74.654 6.686 9.527 1.00 0.00 H new ATOM 0 HA TYR A 122 74.237 3.933 8.435 1.00 0.00 H new ATOM 0 HB2 TYR A 122 73.575 6.834 7.784 1.00 0.00 H new ATOM 0 HB3 TYR A 122 73.431 5.612 6.536 1.00 0.00 H new ATOM 0 HD1 TYR A 122 72.537 3.286 8.384 1.00 0.00 H new ATOM 0 HD2 TYR A 122 71.291 7.381 8.036 1.00 0.00 H new ATOM 0 HE1 TYR A 122 70.291 2.680 9.247 1.00 0.00 H new ATOM 0 HE2 TYR A 122 69.054 6.778 8.902 1.00 0.00 H new ATOM 0 HH TYR A 122 67.715 5.155 9.649 1.00 0.00 H new ATOM 1434 N HIS A 123 76.076 3.888 6.744 1.00 0.00 N ATOM 1435 CA HIS A 123 77.283 3.848 5.868 1.00 0.00 C ATOM 1436 C HIS A 123 76.907 3.286 4.496 1.00 0.00 C ATOM 1437 O HIS A 123 76.140 2.356 4.405 1.00 0.00 O ATOM 1438 CB HIS A 123 78.265 2.891 6.566 1.00 0.00 C ATOM 1439 CG HIS A 123 78.061 2.887 8.067 1.00 0.00 C ATOM 1440 ND1 HIS A 123 78.210 4.025 8.851 1.00 0.00 N ATOM 1441 CD2 HIS A 123 77.754 1.873 8.943 1.00 0.00 C ATOM 1442 CE1 HIS A 123 78.008 3.666 10.129 1.00 0.00 C ATOM 1443 NE2 HIS A 123 77.726 2.367 10.242 1.00 0.00 N ATOM 0 H HIS A 123 75.544 3.019 6.793 1.00 0.00 H new ATOM 0 HA HIS A 123 77.712 4.839 5.720 1.00 0.00 H new ATOM 0 HB2 HIS A 123 78.131 1.882 6.176 1.00 0.00 H new ATOM 0 HB3 HIS A 123 79.289 3.187 6.337 1.00 0.00 H new ATOM 0 HD2 HIS A 123 77.563 0.847 8.664 1.00 0.00 H new ATOM 0 HE1 HIS A 123 78.067 4.347 10.965 1.00 0.00 H new ATOM 0 HE2 HIS A 123 77.532 1.848 11.098 1.00 0.00 H new ATOM 1451 N ILE A 124 77.456 3.809 3.424 1.00 0.00 N ATOM 1452 CA ILE A 124 77.113 3.241 2.084 1.00 0.00 C ATOM 1453 C ILE A 124 78.100 2.118 1.777 1.00 0.00 C ATOM 1454 O ILE A 124 79.258 2.359 1.504 1.00 0.00 O ATOM 1455 CB ILE A 124 77.267 4.373 1.054 1.00 0.00 C ATOM 1456 CG1 ILE A 124 76.394 5.574 1.445 1.00 0.00 C ATOM 1457 CG2 ILE A 124 76.827 3.858 -0.316 1.00 0.00 C ATOM 1458 CD1 ILE A 124 76.437 6.633 0.329 1.00 0.00 C ATOM 0 H ILE A 124 78.113 4.589 3.419 1.00 0.00 H new ATOM 0 HA ILE A 124 76.098 2.846 2.058 1.00 0.00 H new ATOM 0 HB ILE A 124 78.310 4.690 1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 124 75.367 5.250 1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 124 76.749 6.004 2.381 1.00 0.00 H new ATOM 0 HG21 ILE A 124 76.932 4.653 -1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 124 77.450 3.011 -0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 124 75.785 3.542 -0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 124 75.816 7.484 0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 124 77.464 6.966 0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 124 76.061 6.200 -0.598 1.00 0.00 H new ATOM 1470 N ILE A 125 77.657 0.893 1.844 1.00 0.00 N ATOM 1471 CA ILE A 125 78.578 -0.243 1.587 1.00 0.00 C ATOM 1472 C ILE A 125 78.583 -0.600 0.102 1.00 0.00 C ATOM 1473 O ILE A 125 77.555 -0.827 -0.505 1.00 0.00 O ATOM 1474 CB ILE A 125 78.021 -1.389 2.437 1.00 0.00 C ATOM 1475 CG1 ILE A 125 78.535 -1.250 3.872 1.00 0.00 C ATOM 1476 CG2 ILE A 125 78.474 -2.733 1.867 1.00 0.00 C ATOM 1477 CD1 ILE A 125 77.863 -2.298 4.760 1.00 0.00 C ATOM 0 H ILE A 125 76.696 0.632 2.066 1.00 0.00 H new ATOM 0 HA ILE A 125 79.612 -0.014 1.845 1.00 0.00 H new ATOM 0 HB ILE A 125 76.932 -1.345 2.426 1.00 0.00 H new ATOM 0 HG12 ILE A 125 79.617 -1.378 3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 125 78.324 -0.249 4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 125 78.073 -3.541 2.478 1.00 0.00 H new ATOM 0 HG22 ILE A 125 78.110 -2.836 0.845 1.00 0.00 H new ATOM 0 HG23 ILE A 125 79.563 -2.781 1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 125 78.230 -2.198 5.782 1.00 0.00 H new ATOM 0 HD12 ILE A 125 76.783 -2.149 4.746 1.00 0.00 H new ATOM 0 HD13 ILE A 125 78.096 -3.295 4.386 1.00 0.00 H new ATOM 1489 N MET A 126 79.746 -0.638 -0.483 1.00 0.00 N ATOM 1490 CA MET A 126 79.859 -0.960 -1.919 1.00 0.00 C ATOM 1491 C MET A 126 80.770 -2.182 -2.098 1.00 0.00 C ATOM 1492 O MET A 126 81.942 -2.146 -1.781 1.00 0.00 O ATOM 1493 CB MET A 126 80.475 0.317 -2.512 1.00 0.00 C ATOM 1494 CG MET A 126 81.566 -0.024 -3.527 1.00 0.00 C ATOM 1495 SD MET A 126 81.696 1.297 -4.764 1.00 0.00 S ATOM 1496 CE MET A 126 81.315 2.701 -3.687 1.00 0.00 C ATOM 0 H MET A 126 80.633 -0.456 -0.014 1.00 0.00 H new ATOM 0 HA MET A 126 78.917 -1.220 -2.402 1.00 0.00 H new ATOM 0 HB2 MET A 126 79.698 0.911 -2.993 1.00 0.00 H new ATOM 0 HB3 MET A 126 80.894 0.928 -1.713 1.00 0.00 H new ATOM 0 HG2 MET A 126 82.521 -0.152 -3.018 1.00 0.00 H new ATOM 0 HG3 MET A 126 81.336 -0.971 -4.016 1.00 0.00 H new ATOM 0 HE1 MET A 126 81.648 3.624 -4.161 1.00 0.00 H new ATOM 0 HE2 MET A 126 80.239 2.748 -3.517 1.00 0.00 H new ATOM 0 HE3 MET A 126 81.828 2.578 -2.733 1.00 0.00 H new ATOM 1506 N VAL A 127 80.239 -3.258 -2.607 1.00 0.00 N ATOM 1507 CA VAL A 127 81.074 -4.476 -2.808 1.00 0.00 C ATOM 1508 C VAL A 127 81.710 -4.438 -4.200 1.00 0.00 C ATOM 1509 O VAL A 127 81.137 -3.912 -5.133 1.00 0.00 O ATOM 1510 CB VAL A 127 80.095 -5.644 -2.697 1.00 0.00 C ATOM 1511 CG1 VAL A 127 80.791 -6.939 -3.118 1.00 0.00 C ATOM 1512 CG2 VAL A 127 79.613 -5.771 -1.249 1.00 0.00 C ATOM 0 H VAL A 127 79.264 -3.347 -2.893 1.00 0.00 H new ATOM 0 HA VAL A 127 81.885 -4.556 -2.084 1.00 0.00 H new ATOM 0 HB VAL A 127 79.241 -5.463 -3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 127 80.091 -7.771 -3.038 1.00 0.00 H new ATOM 0 HG12 VAL A 127 81.132 -6.850 -4.149 1.00 0.00 H new ATOM 0 HG13 VAL A 127 81.646 -7.121 -2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 127 78.915 -6.604 -1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 127 80.467 -5.950 -0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 127 79.114 -4.849 -0.950 1.00 0.00 H new ATOM 1522 N GLU A 128 82.882 -4.993 -4.357 1.00 0.00 N ATOM 1523 CA GLU A 128 83.519 -4.977 -5.697 1.00 0.00 C ATOM 1524 C GLU A 128 84.330 -6.250 -5.937 1.00 0.00 C ATOM 1525 O GLU A 128 85.495 -6.350 -5.650 1.00 0.00 O ATOM 1526 CB GLU A 128 84.409 -3.734 -5.741 1.00 0.00 C ATOM 1527 CG GLU A 128 84.276 -3.083 -7.120 1.00 0.00 C ATOM 1528 CD GLU A 128 85.667 -2.818 -7.699 1.00 0.00 C ATOM 1529 OE1 GLU A 128 86.624 -2.889 -6.945 1.00 0.00 O ATOM 1530 OE2 GLU A 128 85.752 -2.550 -8.886 1.00 0.00 O ATOM 0 H GLU A 128 83.418 -5.452 -3.621 1.00 0.00 H new ATOM 0 HA GLU A 128 82.768 -4.943 -6.486 1.00 0.00 H new ATOM 0 HB2 GLU A 128 84.115 -3.031 -4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 128 85.447 -4.006 -5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 128 83.711 -3.734 -7.788 1.00 0.00 H new ATOM 0 HG3 GLU A 128 83.720 -2.149 -7.040 1.00 0.00 H new ATOM 1537 N GLY A 129 83.700 -7.224 -6.471 1.00 0.00 N ATOM 1538 CA GLY A 129 84.398 -8.497 -6.775 1.00 0.00 C ATOM 1539 C GLY A 129 84.293 -9.441 -5.594 1.00 0.00 C ATOM 1540 O GLY A 129 84.944 -9.265 -4.583 1.00 0.00 O ATOM 0 H GLY A 129 82.711 -7.206 -6.720 1.00 0.00 H new ATOM 0 HA2 GLY A 129 83.960 -8.959 -7.660 1.00 0.00 H new ATOM 0 HA3 GLY A 129 85.446 -8.301 -7.003 1.00 0.00 H new ATOM 1544 N ARG A 130 83.484 -10.448 -5.709 1.00 0.00 N ATOM 1545 CA ARG A 130 83.360 -11.401 -4.584 1.00 0.00 C ATOM 1546 C ARG A 130 83.628 -12.829 -5.077 1.00 0.00 C ATOM 1547 O ARG A 130 83.723 -13.079 -6.262 1.00 0.00 O ATOM 1548 CB ARG A 130 81.927 -11.221 -4.077 1.00 0.00 C ATOM 1549 CG ARG A 130 81.363 -12.545 -3.548 1.00 0.00 C ATOM 1550 CD ARG A 130 79.876 -12.371 -3.229 1.00 0.00 C ATOM 1551 NE ARG A 130 79.245 -13.655 -3.643 1.00 0.00 N ATOM 1552 CZ ARG A 130 77.945 -13.774 -3.646 1.00 0.00 C ATOM 1553 NH1 ARG A 130 77.190 -12.723 -3.473 1.00 0.00 N ATOM 1554 NH2 ARG A 130 77.399 -14.947 -3.824 1.00 0.00 N ATOM 0 H ARG A 130 82.908 -10.651 -6.526 1.00 0.00 H new ATOM 0 HA ARG A 130 84.081 -11.221 -3.786 1.00 0.00 H new ATOM 0 HB2 ARG A 130 81.908 -10.471 -3.286 1.00 0.00 H new ATOM 0 HB3 ARG A 130 81.296 -10.849 -4.884 1.00 0.00 H new ATOM 0 HG2 ARG A 130 81.498 -13.333 -4.289 1.00 0.00 H new ATOM 0 HG3 ARG A 130 81.905 -12.853 -2.654 1.00 0.00 H new ATOM 0 HD2 ARG A 130 79.719 -12.177 -2.168 1.00 0.00 H new ATOM 0 HD3 ARG A 130 79.451 -11.528 -3.773 1.00 0.00 H new ATOM 0 HE ARG A 130 79.829 -14.442 -3.925 1.00 0.00 H new ATOM 0 HH11 ARG A 130 77.616 -11.806 -3.335 1.00 0.00 H new ATOM 0 HH12 ARG A 130 76.174 -12.819 -3.476 1.00 0.00 H new ATOM 0 HH21 ARG A 130 77.988 -15.768 -3.960 1.00 0.00 H new ATOM 0 HH22 ARG A 130 76.383 -15.042 -3.827 1.00 0.00 H new ATOM 1568 N LYS A 131 83.754 -13.766 -4.176 1.00 0.00 N ATOM 1569 CA LYS A 131 84.022 -15.173 -4.594 1.00 0.00 C ATOM 1570 C LYS A 131 83.468 -16.153 -3.557 1.00 0.00 C ATOM 1571 O LYS A 131 82.870 -15.696 -2.598 1.00 0.00 O ATOM 1572 CB LYS A 131 85.546 -15.284 -4.679 1.00 0.00 C ATOM 1573 CG LYS A 131 86.186 -14.707 -3.412 1.00 0.00 C ATOM 1574 CD LYS A 131 86.626 -15.849 -2.496 1.00 0.00 C ATOM 1575 CE LYS A 131 88.041 -16.291 -2.875 1.00 0.00 C ATOM 1576 NZ LYS A 131 88.910 -15.767 -1.783 1.00 0.00 N ATOM 1577 OXT LYS A 131 83.652 -17.346 -3.741 1.00 0.00 O ATOM 0 H LYS A 131 83.683 -13.618 -3.169 1.00 0.00 H new ATOM 0 HA LYS A 131 83.544 -15.415 -5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 131 85.836 -16.328 -4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 131 85.909 -14.748 -5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 131 87.043 -14.087 -3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 131 85.475 -14.064 -2.893 1.00 0.00 H new ATOM 0 HD2 LYS A 131 86.601 -15.525 -1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 131 85.935 -16.688 -2.585 1.00 0.00 H new ATOM 0 HE2 LYS A 131 88.110 -17.376 -2.949 1.00 0.00 H new ATOM 0 HE3 LYS A 131 88.336 -15.886 -3.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 89.899 -16.029 -1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 88.828 -14.731 -1.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 88.610 -16.175 -0.875 1.00 0.00 H new