USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 739 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 109 THR OG1 : rot -73:sc= 0.751 USER MOD Set 1.2: A 114 HIS : no HE2:sc= -20.9! C(o=-20!,f=-21!) USER MOD Set 2.1: A 12 HIS :FLIP no HD1:sc= -6.12! C(o=-7.6!,f=-6.1!) USER MOD Set 2.2: A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN :FLIP amide:sc= -0.847 F(o=-2.1,f=-0.85) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 6:sc= -2.78! USER MOD Single : A 16 LYS NZ :NH3+ -119:sc= -0.419 (180deg=-1.91!) USER MOD Single : A 17 HIS :FLIP no HE2:sc= -11! C(o=-13!,f=-11!) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.0619 F(o=-1.2,f=-0.062) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00322 USER MOD Single : A 45 GLN : amide:sc= -0.988 X(o=-0.99,f=-0.75) USER MOD Single : A 47 LYS NZ :NH3+ -133:sc=-0.00336 (180deg=-0.107) USER MOD Single : A 48 SER OG : rot 85:sc= 0.167 USER MOD Single : A 55 SER OG : rot 137:sc= -0.251 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.0463 K(o=-0.046,f=-4.5!) USER MOD Single : A 65 THR OG1 : rot 72:sc= -3.99! USER MOD Single : A 68 SER OG : rot -71:sc= -3.04! USER MOD Single : A 70 CYS SG : rot 180:sc= -0.713 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0749 USER MOD Single : A 86 GLN : amide:sc=-0.00816 X(o=-0.0082,f=-0.29) USER MOD Single : A 87 MET CE :methyl 178:sc= -11.3! (180deg=-11.9!) USER MOD Single : A 88 GLN :FLIP amide:sc= -0.873 F(o=-2.9!,f=-0.87) USER MOD Single : A 89 LYS NZ :NH3+ 153:sc= -0.0302 (180deg=-0.972) USER MOD Single : A 95 THR OG1 : rot 98:sc= -0.545! USER MOD Single : A 96 TYR OH : rot 30:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 175:sc= -4.96 USER MOD Single : A 111 SER OG : rot 162:sc= 0.302 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= -0.696 USER MOD ----------------------------------------------------------------- ATOM 92 N GLN A 7 17.095 6.877 3.134 1.00 0.00 N ATOM 93 CA GLN A 7 15.731 7.126 2.587 1.00 0.00 C ATOM 94 C GLN A 7 15.180 5.827 1.994 1.00 0.00 C ATOM 95 O GLN A 7 15.915 5.024 1.454 1.00 0.00 O ATOM 96 CB GLN A 7 15.919 8.185 1.500 1.00 0.00 C ATOM 97 CG GLN A 7 14.837 9.259 1.642 1.00 0.00 C ATOM 98 CD GLN A 7 15.270 10.296 2.683 1.00 0.00 C ATOM 99 OE1 GLN A 7 16.194 9.988 3.552 1.00 0.00 O flip ATOM 100 NE2 GLN A 7 14.759 11.398 2.707 1.00 0.00 N flip ATOM 0 HA GLN A 7 15.026 7.462 3.347 1.00 0.00 H new ATOM 0 HB2 GLN A 7 16.908 8.636 1.584 1.00 0.00 H new ATOM 0 HB3 GLN A 7 15.862 7.724 0.514 1.00 0.00 H new ATOM 0 HG2 GLN A 7 14.665 9.744 0.681 1.00 0.00 H new ATOM 0 HG3 GLN A 7 13.894 8.801 1.941 1.00 0.00 H new ATOM 0 HE21 GLN A 7 14.037 11.640 2.029 1.00 0.00 H new ATOM 0 HE22 GLN A 7 15.052 12.081 3.406 1.00 0.00 H new ATOM 109 N VAL A 8 13.901 5.599 2.101 1.00 0.00 N ATOM 110 CA VAL A 8 13.334 4.331 1.553 1.00 0.00 C ATOM 111 C VAL A 8 12.334 4.611 0.427 1.00 0.00 C ATOM 112 O VAL A 8 11.203 4.982 0.672 1.00 0.00 O ATOM 113 CB VAL A 8 12.625 3.672 2.741 1.00 0.00 C ATOM 114 CG1 VAL A 8 11.813 4.721 3.502 1.00 0.00 C ATOM 115 CG2 VAL A 8 11.678 2.580 2.236 1.00 0.00 C ATOM 0 H VAL A 8 13.228 6.227 2.539 1.00 0.00 H new ATOM 0 HA VAL A 8 14.110 3.697 1.124 1.00 0.00 H new ATOM 0 HB VAL A 8 13.373 3.234 3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 8 11.310 4.250 4.346 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.479 5.502 3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.070 5.160 2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.176 2.114 3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.935 3.021 1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.248 1.827 1.693 1.00 0.00 H new ATOM 125 N LYS A 9 12.725 4.411 -0.805 1.00 0.00 N ATOM 126 CA LYS A 9 11.765 4.643 -1.921 1.00 0.00 C ATOM 127 C LYS A 9 10.808 3.452 -2.007 1.00 0.00 C ATOM 128 O LYS A 9 11.113 2.378 -1.526 1.00 0.00 O ATOM 129 CB LYS A 9 12.602 4.736 -3.197 1.00 0.00 C ATOM 130 CG LYS A 9 13.447 6.012 -3.174 1.00 0.00 C ATOM 131 CD LYS A 9 13.351 6.779 -4.510 1.00 0.00 C ATOM 132 CE LYS A 9 13.284 5.827 -5.716 1.00 0.00 C ATOM 133 NZ LYS A 9 14.643 5.867 -6.329 1.00 0.00 N ATOM 0 H LYS A 9 13.656 4.101 -1.083 1.00 0.00 H new ATOM 0 HA LYS A 9 11.177 5.549 -1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.249 3.863 -3.283 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.950 4.737 -4.071 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.114 6.655 -2.359 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.488 5.757 -2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.466 7.415 -4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.215 7.436 -4.614 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.024 4.816 -5.404 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.523 6.147 -6.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.669 5.240 -7.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.862 6.840 -6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.347 5.550 -5.633 1.00 0.00 H new ATOM 147 N ALA A 10 9.658 3.611 -2.607 1.00 0.00 N ATOM 148 CA ALA A 10 8.727 2.442 -2.687 1.00 0.00 C ATOM 149 C ALA A 10 7.451 2.756 -3.473 1.00 0.00 C ATOM 150 O ALA A 10 7.111 3.895 -3.723 1.00 0.00 O ATOM 151 CB ALA A 10 8.359 2.135 -1.235 1.00 0.00 C ATOM 0 H ALA A 10 9.327 4.475 -3.036 1.00 0.00 H new ATOM 0 HA ALA A 10 9.205 1.611 -3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.676 1.286 -1.204 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.262 1.894 -0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.877 3.005 -0.790 1.00 0.00 H new ATOM 157 N SER A 11 6.729 1.724 -3.824 1.00 0.00 N ATOM 158 CA SER A 11 5.442 1.892 -4.556 1.00 0.00 C ATOM 159 C SER A 11 4.352 1.200 -3.741 1.00 0.00 C ATOM 160 O SER A 11 4.652 0.584 -2.742 1.00 0.00 O ATOM 161 CB SER A 11 5.644 1.187 -5.897 1.00 0.00 C ATOM 162 OG SER A 11 4.500 1.398 -6.713 1.00 0.00 O ATOM 0 H SER A 11 6.983 0.755 -3.630 1.00 0.00 H new ATOM 0 HA SER A 11 5.156 2.933 -4.706 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.535 1.572 -6.393 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.802 0.120 -5.740 1.00 0.00 H new ATOM 0 HG SER A 11 3.890 2.021 -6.266 1.00 0.00 H new ATOM 168 N HIS A 12 3.099 1.271 -4.126 1.00 0.00 N ATOM 169 CA HIS A 12 2.072 0.568 -3.288 1.00 0.00 C ATOM 170 C HIS A 12 0.650 0.682 -3.848 1.00 0.00 C ATOM 171 O HIS A 12 0.391 1.356 -4.826 1.00 0.00 O ATOM 172 CB HIS A 12 2.133 1.259 -1.923 1.00 0.00 C ATOM 173 CG HIS A 12 1.555 2.643 -2.037 1.00 0.00 C ATOM 174 ND1 HIS A 12 1.494 3.527 -3.085 1.00 0.00 N flip ATOM 175 CD2 HIS A 12 0.940 3.279 -0.969 1.00 0.00 C flip ATOM 176 CE1 HIS A 12 0.852 4.693 -2.678 1.00 0.00 C flip ATOM 177 NE2 HIS A 12 0.540 4.491 -1.395 1.00 0.00 N flip ATOM 0 H HIS A 12 2.751 1.763 -4.949 1.00 0.00 H new ATOM 0 HA HIS A 12 2.291 -0.499 -3.253 1.00 0.00 H new ATOM 0 HB2 HIS A 12 1.577 0.681 -1.185 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.165 1.311 -1.575 1.00 0.00 H new ATOM 0 HD2 HIS A 12 0.806 2.875 0.024 1.00 0.00 H new ATOM 0 HE1 HIS A 12 0.650 5.572 -3.272 1.00 0.00 H new ATOM 0 HE2 HIS A 12 0.057 5.173 -0.809 1.00 0.00 H new ATOM 185 N ILE A 13 -0.271 0.021 -3.189 1.00 0.00 N ATOM 186 CA ILE A 13 -1.708 0.055 -3.599 1.00 0.00 C ATOM 187 C ILE A 13 -2.584 -0.197 -2.357 1.00 0.00 C ATOM 188 O ILE A 13 -2.205 -0.925 -1.461 1.00 0.00 O ATOM 189 CB ILE A 13 -1.873 -1.074 -4.635 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.620 -0.511 -6.042 1.00 0.00 C ATOM 191 CG2 ILE A 13 -3.294 -1.654 -4.560 1.00 0.00 C ATOM 192 CD1 ILE A 13 -2.299 -1.393 -7.101 1.00 0.00 C ATOM 0 H ILE A 13 -0.081 -0.552 -2.367 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.006 1.013 -4.025 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.156 -1.866 -4.421 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.003 0.507 -6.108 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.548 -0.461 -6.234 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.401 -2.451 -5.296 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.471 -2.055 -3.562 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.019 -0.868 -4.769 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.111 -0.981 -8.093 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.896 -2.404 -7.045 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.373 -1.420 -6.917 1.00 0.00 H new ATOM 204 N LEU A 14 -3.746 0.396 -2.297 1.00 0.00 N ATOM 205 CA LEU A 14 -4.639 0.186 -1.114 1.00 0.00 C ATOM 206 C LEU A 14 -5.841 -0.676 -1.511 1.00 0.00 C ATOM 207 O LEU A 14 -6.250 -0.683 -2.651 1.00 0.00 O ATOM 208 CB LEU A 14 -5.099 1.591 -0.712 1.00 0.00 C ATOM 209 CG LEU A 14 -6.173 1.487 0.372 1.00 0.00 C ATOM 210 CD1 LEU A 14 -5.501 1.399 1.743 1.00 0.00 C ATOM 211 CD2 LEU A 14 -7.082 2.721 0.316 1.00 0.00 C ATOM 0 H LEU A 14 -4.118 1.018 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.132 -0.327 -0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.252 2.171 -0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.494 2.118 -1.581 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.775 0.593 0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.264 1.325 2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.861 0.518 1.778 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.899 2.292 1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.847 2.645 1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.487 3.619 0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.559 2.777 -0.662 1.00 0.00 H new ATOM 223 N ILE A 15 -6.417 -1.400 -0.584 1.00 0.00 N ATOM 224 CA ILE A 15 -7.595 -2.250 -0.938 1.00 0.00 C ATOM 225 C ILE A 15 -8.807 -1.905 -0.059 1.00 0.00 C ATOM 226 O ILE A 15 -9.890 -2.413 -0.263 1.00 0.00 O ATOM 227 CB ILE A 15 -7.134 -3.699 -0.707 1.00 0.00 C ATOM 228 CG1 ILE A 15 -7.855 -4.615 -1.698 1.00 0.00 C ATOM 229 CG2 ILE A 15 -7.457 -4.149 0.724 1.00 0.00 C ATOM 230 CD1 ILE A 15 -7.060 -5.910 -1.870 1.00 0.00 C ATOM 0 H ILE A 15 -6.126 -1.440 0.393 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.916 -2.090 -1.967 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.056 -3.754 -0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.860 -4.838 -1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.965 -4.113 -2.659 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.123 -5.177 0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.945 -3.499 1.434 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.533 -4.091 0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.575 -6.562 -2.576 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.065 -5.678 -2.249 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.973 -6.414 -0.908 1.00 0.00 H new ATOM 242 N LYS A 16 -8.630 -1.058 0.920 1.00 0.00 N ATOM 243 CA LYS A 16 -9.769 -0.691 1.815 1.00 0.00 C ATOM 244 C LYS A 16 -10.240 -1.921 2.598 1.00 0.00 C ATOM 245 O LYS A 16 -10.098 -3.043 2.155 1.00 0.00 O ATOM 246 CB LYS A 16 -10.877 -0.181 0.888 1.00 0.00 C ATOM 247 CG LYS A 16 -10.308 0.879 -0.060 1.00 0.00 C ATOM 248 CD LYS A 16 -11.242 1.042 -1.263 1.00 0.00 C ATOM 249 CE LYS A 16 -11.107 2.458 -1.830 1.00 0.00 C ATOM 250 NZ LYS A 16 -9.684 2.568 -2.258 1.00 0.00 N ATOM 0 H LYS A 16 -7.744 -0.603 1.140 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.485 0.065 2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.295 -1.009 0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.691 0.242 1.477 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.201 1.830 0.462 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.313 0.586 -0.395 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.996 0.307 -2.030 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.273 0.856 -0.963 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.785 2.613 -2.669 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.352 3.209 -1.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.219 3.331 -1.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.195 1.669 -2.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.643 2.782 -3.275 1.00 0.00 H new ATOM 264 N HIS A 17 -10.795 -1.716 3.760 1.00 0.00 N ATOM 265 CA HIS A 17 -11.270 -2.871 4.577 1.00 0.00 C ATOM 266 C HIS A 17 -11.951 -2.367 5.852 1.00 0.00 C ATOM 267 O HIS A 17 -12.658 -1.379 5.842 1.00 0.00 O ATOM 268 CB HIS A 17 -10.006 -3.660 4.925 1.00 0.00 C ATOM 269 CG HIS A 17 -9.186 -2.887 5.922 1.00 0.00 C ATOM 270 ND1 HIS A 17 -8.151 -3.262 6.743 1.00 0.00 N flip ATOM 271 CD2 HIS A 17 -9.392 -1.538 6.166 1.00 0.00 C flip ATOM 272 CE1 HIS A 17 -7.720 -2.166 7.484 1.00 0.00 C flip ATOM 273 NE2 HIS A 17 -8.502 -1.154 7.098 1.00 0.00 N flip ATOM 0 H HIS A 17 -10.941 -0.798 4.181 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.998 -3.482 4.043 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -10.274 -4.633 5.336 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.421 -3.845 4.024 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -7.758 -4.201 6.801 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -10.133 -0.910 5.694 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.925 -2.139 8.214 1.00 0.00 H new ATOM 281 N GLN A 18 -11.739 -3.037 6.952 1.00 0.00 N ATOM 282 CA GLN A 18 -12.371 -2.593 8.227 1.00 0.00 C ATOM 283 C GLN A 18 -11.610 -1.399 8.802 1.00 0.00 C ATOM 284 O GLN A 18 -12.154 -0.326 8.975 1.00 0.00 O ATOM 285 CB GLN A 18 -12.265 -3.799 9.163 1.00 0.00 C ATOM 286 CG GLN A 18 -13.659 -4.380 9.408 1.00 0.00 C ATOM 287 CD GLN A 18 -14.208 -3.852 10.735 1.00 0.00 C ATOM 288 OE1 GLN A 18 -13.784 -2.705 11.193 1.00 0.00 O flip ATOM 289 NE2 GLN A 18 -15.033 -4.488 11.361 1.00 0.00 N flip ATOM 0 H GLN A 18 -11.156 -3.871 7.023 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.404 -2.275 8.089 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.616 -4.557 8.725 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.813 -3.500 10.109 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.327 -4.106 8.591 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.612 -5.469 9.430 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.365 -5.384 11.004 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -15.394 -4.126 12.244 1.00 0.00 H new ATOM 298 N GLY A 19 -10.354 -1.578 9.096 1.00 0.00 N ATOM 299 CA GLY A 19 -9.550 -0.457 9.659 1.00 0.00 C ATOM 300 C GLY A 19 -10.204 0.048 10.946 1.00 0.00 C ATOM 301 O GLY A 19 -10.010 -0.504 12.011 1.00 0.00 O ATOM 0 H GLY A 19 -9.847 -2.454 8.971 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.533 -0.792 9.863 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.479 0.353 8.933 1.00 0.00 H new ATOM 594 N THR A 37 -14.519 -6.248 3.023 1.00 0.00 N ATOM 595 CA THR A 37 -13.295 -6.930 3.538 1.00 0.00 C ATOM 596 C THR A 37 -13.000 -6.477 4.972 1.00 0.00 C ATOM 597 O THR A 37 -13.213 -5.335 5.329 1.00 0.00 O ATOM 598 CB THR A 37 -12.177 -6.497 2.581 1.00 0.00 C ATOM 599 OG1 THR A 37 -12.203 -7.328 1.427 1.00 0.00 O ATOM 600 CG2 THR A 37 -10.815 -6.624 3.270 1.00 0.00 C ATOM 0 HA THR A 37 -13.401 -8.014 3.573 1.00 0.00 H new ATOM 0 HB THR A 37 -12.333 -5.457 2.294 1.00 0.00 H new ATOM 0 HG1 THR A 37 -11.492 -7.055 0.811 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.029 -6.314 2.582 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.794 -5.988 4.155 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.652 -7.661 3.565 1.00 0.00 H new ATOM 608 N THR A 38 -12.517 -7.365 5.797 1.00 0.00 N ATOM 609 CA THR A 38 -12.215 -6.986 7.207 1.00 0.00 C ATOM 610 C THR A 38 -10.730 -7.193 7.512 1.00 0.00 C ATOM 611 O THR A 38 -9.970 -7.634 6.673 1.00 0.00 O ATOM 612 CB THR A 38 -13.072 -7.923 8.060 1.00 0.00 C ATOM 613 OG1 THR A 38 -12.920 -9.256 7.591 1.00 0.00 O ATOM 614 CG2 THR A 38 -14.542 -7.508 7.961 1.00 0.00 C ATOM 0 H THR A 38 -12.318 -8.336 5.556 1.00 0.00 H new ATOM 0 HA THR A 38 -12.433 -5.936 7.405 1.00 0.00 H new ATOM 0 HB THR A 38 -12.752 -7.864 9.100 1.00 0.00 H new ATOM 0 HG1 THR A 38 -13.467 -9.859 8.137 1.00 0.00 H new ATOM 0 HG21 THR A 38 -15.151 -8.177 8.569 1.00 0.00 H new ATOM 0 HG22 THR A 38 -14.656 -6.485 8.321 1.00 0.00 H new ATOM 0 HG23 THR A 38 -14.867 -7.566 6.922 1.00 0.00 H new ATOM 622 N ARG A 39 -10.314 -6.873 8.709 1.00 0.00 N ATOM 623 CA ARG A 39 -8.878 -7.044 9.079 1.00 0.00 C ATOM 624 C ARG A 39 -8.329 -8.352 8.508 1.00 0.00 C ATOM 625 O ARG A 39 -7.590 -8.357 7.543 1.00 0.00 O ATOM 626 CB ARG A 39 -8.865 -7.078 10.609 1.00 0.00 C ATOM 627 CG ARG A 39 -7.801 -6.112 11.132 1.00 0.00 C ATOM 628 CD ARG A 39 -6.436 -6.805 11.124 1.00 0.00 C ATOM 629 NE ARG A 39 -5.738 -6.292 12.335 1.00 0.00 N ATOM 630 CZ ARG A 39 -4.933 -7.071 13.005 1.00 0.00 C ATOM 631 NH1 ARG A 39 -5.401 -8.135 13.599 1.00 0.00 N ATOM 632 NH2 ARG A 39 -3.661 -6.787 13.080 1.00 0.00 N ATOM 0 H ARG A 39 -10.909 -6.499 9.449 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.254 -6.243 8.682 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.845 -6.801 10.998 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.657 -8.089 10.959 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.770 -5.217 10.511 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.052 -5.790 12.143 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.543 -7.889 11.160 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.879 -6.569 10.217 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.889 -5.331 12.641 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.395 -8.357 13.539 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.773 -8.745 14.123 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.296 -5.956 12.615 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.032 -7.396 13.604 1.00 0.00 H new ATOM 646 N GLU A 40 -8.685 -9.460 9.092 1.00 0.00 N ATOM 647 CA GLU A 40 -8.184 -10.765 8.578 1.00 0.00 C ATOM 648 C GLU A 40 -8.411 -10.848 7.070 1.00 0.00 C ATOM 649 O GLU A 40 -7.481 -10.944 6.294 1.00 0.00 O ATOM 650 CB GLU A 40 -9.020 -11.821 9.299 1.00 0.00 C ATOM 651 CG GLU A 40 -8.550 -13.217 8.882 1.00 0.00 C ATOM 652 CD GLU A 40 -8.944 -14.232 9.955 1.00 0.00 C ATOM 653 OE1 GLU A 40 -8.598 -14.014 11.104 1.00 0.00 O ATOM 654 OE2 GLU A 40 -9.585 -15.211 9.610 1.00 0.00 O ATOM 0 H GLU A 40 -9.301 -9.520 9.903 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.117 -10.900 8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.925 -11.701 10.378 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.075 -11.693 9.056 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.996 -13.492 7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.469 -13.221 8.742 1.00 0.00 H new ATOM 661 N ALA A 41 -9.644 -10.810 6.652 1.00 0.00 N ATOM 662 CA ALA A 41 -9.939 -10.886 5.195 1.00 0.00 C ATOM 663 C ALA A 41 -8.969 -10.000 4.414 1.00 0.00 C ATOM 664 O ALA A 41 -8.464 -10.380 3.378 1.00 0.00 O ATOM 665 CB ALA A 41 -11.373 -10.375 5.052 1.00 0.00 C ATOM 0 H ALA A 41 -10.461 -10.730 7.257 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.829 -11.897 4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.665 -10.400 4.002 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.045 -11.009 5.631 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.433 -9.351 5.421 1.00 0.00 H new ATOM 671 N ALA A 42 -8.700 -8.823 4.904 1.00 0.00 N ATOM 672 CA ALA A 42 -7.756 -7.922 4.184 1.00 0.00 C ATOM 673 C ALA A 42 -6.450 -8.661 3.904 1.00 0.00 C ATOM 674 O ALA A 42 -6.119 -8.947 2.770 1.00 0.00 O ATOM 675 CB ALA A 42 -7.516 -6.745 5.131 1.00 0.00 C ATOM 0 H ALA A 42 -9.090 -8.446 5.768 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.152 -7.589 3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.828 -6.038 4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.463 -6.246 5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.086 -7.110 6.064 1.00 0.00 H new ATOM 681 N VAL A 43 -5.708 -8.983 4.925 1.00 0.00 N ATOM 682 CA VAL A 43 -4.430 -9.715 4.696 1.00 0.00 C ATOM 683 C VAL A 43 -4.690 -10.877 3.740 1.00 0.00 C ATOM 684 O VAL A 43 -3.916 -11.142 2.841 1.00 0.00 O ATOM 685 CB VAL A 43 -3.984 -10.227 6.068 1.00 0.00 C ATOM 686 CG1 VAL A 43 -2.534 -10.706 5.982 1.00 0.00 C ATOM 687 CG2 VAL A 43 -4.080 -9.097 7.094 1.00 0.00 C ATOM 0 H VAL A 43 -5.927 -8.774 5.899 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.660 -9.083 4.253 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.628 -11.052 6.373 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.213 -11.071 6.958 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.459 -11.511 5.251 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.895 -9.878 5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.762 -9.464 8.070 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.436 -8.273 6.789 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.111 -8.748 7.156 1.00 0.00 H new ATOM 697 N GLU A 44 -5.791 -11.556 3.909 1.00 0.00 N ATOM 698 CA GLU A 44 -6.114 -12.680 2.990 1.00 0.00 C ATOM 699 C GLU A 44 -6.283 -12.119 1.581 1.00 0.00 C ATOM 700 O GLU A 44 -5.600 -12.508 0.655 1.00 0.00 O ATOM 701 CB GLU A 44 -7.431 -13.259 3.508 1.00 0.00 C ATOM 702 CG GLU A 44 -7.138 -14.421 4.458 1.00 0.00 C ATOM 703 CD GLU A 44 -8.403 -14.770 5.243 1.00 0.00 C ATOM 704 OE1 GLU A 44 -9.400 -14.094 5.052 1.00 0.00 O ATOM 705 OE2 GLU A 44 -8.354 -15.708 6.021 1.00 0.00 O ATOM 0 H GLU A 44 -6.478 -11.381 4.642 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.338 -13.445 2.956 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.001 -12.487 4.025 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.043 -13.603 2.674 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.797 -15.289 3.894 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.335 -14.150 5.144 1.00 0.00 H new ATOM 712 N GLN A 45 -7.173 -11.180 1.426 1.00 0.00 N ATOM 713 CA GLN A 45 -7.373 -10.557 0.090 1.00 0.00 C ATOM 714 C GLN A 45 -6.023 -10.056 -0.420 1.00 0.00 C ATOM 715 O GLN A 45 -5.749 -10.048 -1.604 1.00 0.00 O ATOM 716 CB GLN A 45 -8.329 -9.386 0.337 1.00 0.00 C ATOM 717 CG GLN A 45 -9.716 -9.733 -0.209 1.00 0.00 C ATOM 718 CD GLN A 45 -9.599 -10.168 -1.671 1.00 0.00 C ATOM 719 OE1 GLN A 45 -9.433 -9.346 -2.551 1.00 0.00 O ATOM 720 NE2 GLN A 45 -9.679 -11.436 -1.971 1.00 0.00 N ATOM 0 H GLN A 45 -7.771 -10.817 2.168 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.776 -11.246 -0.652 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.390 -9.172 1.404 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.951 -8.486 -0.148 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.162 -10.532 0.384 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.376 -8.869 -0.128 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.818 -12.127 -1.234 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.602 -11.736 -2.943 1.00 0.00 H new ATOM 729 N LEU A 46 -5.170 -9.652 0.484 1.00 0.00 N ATOM 730 CA LEU A 46 -3.823 -9.163 0.083 1.00 0.00 C ATOM 731 C LEU A 46 -2.918 -10.358 -0.222 1.00 0.00 C ATOM 732 O LEU A 46 -2.048 -10.294 -1.067 1.00 0.00 O ATOM 733 CB LEU A 46 -3.306 -8.388 1.294 1.00 0.00 C ATOM 734 CG LEU A 46 -3.594 -6.898 1.112 1.00 0.00 C ATOM 735 CD1 LEU A 46 -2.750 -6.352 -0.040 1.00 0.00 C ATOM 736 CD2 LEU A 46 -5.077 -6.696 0.795 1.00 0.00 C ATOM 0 H LEU A 46 -5.352 -9.641 1.488 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.849 -8.539 -0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.785 -8.753 2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.234 -8.550 1.411 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.344 -6.368 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.955 -5.289 -0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.693 -6.492 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.999 -6.884 -0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.280 -5.633 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.329 -7.228 -0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.681 -7.083 1.616 1.00 0.00 H new ATOM 748 N LYS A 47 -3.128 -11.456 0.450 1.00 0.00 N ATOM 749 CA LYS A 47 -2.292 -12.658 0.180 1.00 0.00 C ATOM 750 C LYS A 47 -2.414 -13.017 -1.301 1.00 0.00 C ATOM 751 O LYS A 47 -1.434 -13.178 -2.006 1.00 0.00 O ATOM 752 CB LYS A 47 -2.884 -13.765 1.056 1.00 0.00 C ATOM 753 CG LYS A 47 -1.780 -14.384 1.914 1.00 0.00 C ATOM 754 CD LYS A 47 -1.595 -13.552 3.183 1.00 0.00 C ATOM 755 CE LYS A 47 -2.410 -14.168 4.322 1.00 0.00 C ATOM 756 NZ LYS A 47 -1.578 -15.299 4.818 1.00 0.00 N ATOM 0 H LYS A 47 -3.840 -11.572 1.172 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.236 -12.503 0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.669 -13.358 1.693 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.345 -14.530 0.431 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.039 -15.411 2.174 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.847 -14.423 1.352 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.540 -13.515 3.455 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.915 -12.525 3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.599 -13.440 5.111 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.381 -14.516 3.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.171 -16.147 4.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.815 -15.492 4.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.166 -15.049 5.740 1.00 0.00 H new ATOM 770 N SER A 48 -3.623 -13.116 -1.782 1.00 0.00 N ATOM 771 CA SER A 48 -3.833 -13.434 -3.221 1.00 0.00 C ATOM 772 C SER A 48 -3.214 -12.330 -4.069 1.00 0.00 C ATOM 773 O SER A 48 -2.676 -12.576 -5.127 1.00 0.00 O ATOM 774 CB SER A 48 -5.349 -13.475 -3.409 1.00 0.00 C ATOM 775 OG SER A 48 -5.787 -12.242 -3.965 1.00 0.00 O ATOM 0 H SER A 48 -4.476 -12.990 -1.238 1.00 0.00 H new ATOM 0 HA SER A 48 -3.373 -14.377 -3.518 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.623 -14.301 -4.065 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.841 -13.651 -2.452 1.00 0.00 H new ATOM 0 HG SER A 48 -5.692 -12.271 -4.940 1.00 0.00 H new ATOM 781 N ILE A 49 -3.269 -11.112 -3.605 1.00 0.00 N ATOM 782 CA ILE A 49 -2.660 -10.007 -4.389 1.00 0.00 C ATOM 783 C ILE A 49 -1.253 -10.435 -4.813 1.00 0.00 C ATOM 784 O ILE A 49 -0.890 -10.346 -5.963 1.00 0.00 O ATOM 785 CB ILE A 49 -2.654 -8.792 -3.438 1.00 0.00 C ATOM 786 CG1 ILE A 49 -3.586 -7.714 -3.997 1.00 0.00 C ATOM 787 CG2 ILE A 49 -1.242 -8.209 -3.298 1.00 0.00 C ATOM 788 CD1 ILE A 49 -3.121 -7.311 -5.398 1.00 0.00 C ATOM 0 H ILE A 49 -3.706 -10.838 -2.725 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.201 -9.758 -5.302 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.994 -9.120 -2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.609 -8.088 -4.036 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.589 -6.845 -3.340 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.267 -7.354 -2.622 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.572 -8.970 -2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.882 -7.888 -4.276 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.785 -6.543 -5.795 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.105 -6.920 -5.346 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.141 -8.182 -6.053 1.00 0.00 H new ATOM 800 N ARG A 50 -0.470 -10.929 -3.897 1.00 0.00 N ATOM 801 CA ARG A 50 0.894 -11.392 -4.275 1.00 0.00 C ATOM 802 C ARG A 50 0.750 -12.396 -5.417 1.00 0.00 C ATOM 803 O ARG A 50 1.430 -12.327 -6.421 1.00 0.00 O ATOM 804 CB ARG A 50 1.453 -12.075 -3.025 1.00 0.00 C ATOM 805 CG ARG A 50 2.891 -12.526 -3.286 1.00 0.00 C ATOM 806 CD ARG A 50 2.998 -14.041 -3.084 1.00 0.00 C ATOM 807 NE ARG A 50 4.244 -14.236 -2.291 1.00 0.00 N ATOM 808 CZ ARG A 50 4.636 -15.442 -1.975 1.00 0.00 C ATOM 809 NH1 ARG A 50 3.813 -16.261 -1.379 1.00 0.00 N ATOM 810 NH2 ARG A 50 5.851 -15.826 -2.253 1.00 0.00 N ATOM 0 H ARG A 50 -0.711 -11.032 -2.911 1.00 0.00 H new ATOM 0 HA ARG A 50 1.550 -10.586 -4.604 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.425 -11.388 -2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.835 -12.933 -2.760 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.187 -12.262 -4.301 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.573 -12.010 -2.611 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.128 -14.431 -2.555 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.052 -14.564 -4.039 1.00 0.00 H new ATOM 0 HE ARG A 50 4.791 -13.428 -1.995 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.863 -15.960 -1.160 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.119 -17.202 -1.133 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.495 -15.185 -2.717 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.157 -16.767 -2.007 1.00 0.00 H new ATOM 824 N GLU A 51 -0.167 -13.313 -5.268 1.00 0.00 N ATOM 825 CA GLU A 51 -0.415 -14.318 -6.338 1.00 0.00 C ATOM 826 C GLU A 51 -0.921 -13.583 -7.578 1.00 0.00 C ATOM 827 O GLU A 51 -0.300 -13.574 -8.620 1.00 0.00 O ATOM 828 CB GLU A 51 -1.489 -15.234 -5.725 1.00 0.00 C ATOM 829 CG GLU A 51 -2.550 -15.634 -6.756 1.00 0.00 C ATOM 830 CD GLU A 51 -1.874 -16.168 -8.020 1.00 0.00 C ATOM 831 OE1 GLU A 51 -0.940 -16.942 -7.888 1.00 0.00 O ATOM 832 OE2 GLU A 51 -2.302 -15.794 -9.100 1.00 0.00 O ATOM 0 H GLU A 51 -0.759 -13.409 -4.443 1.00 0.00 H new ATOM 0 HA GLU A 51 0.461 -14.888 -6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.016 -16.130 -5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.968 -14.724 -4.889 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.208 -16.395 -6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.173 -14.774 -7.002 1.00 0.00 H new ATOM 839 N ASP A 52 -2.039 -12.948 -7.459 1.00 0.00 N ATOM 840 CA ASP A 52 -2.572 -12.186 -8.619 1.00 0.00 C ATOM 841 C ASP A 52 -1.434 -11.346 -9.204 1.00 0.00 C ATOM 842 O ASP A 52 -1.143 -11.404 -10.380 1.00 0.00 O ATOM 843 CB ASP A 52 -3.671 -11.296 -8.038 1.00 0.00 C ATOM 844 CG ASP A 52 -4.972 -12.094 -7.932 1.00 0.00 C ATOM 845 OD1 ASP A 52 -5.164 -12.987 -8.741 1.00 0.00 O ATOM 846 OD2 ASP A 52 -5.753 -11.800 -7.042 1.00 0.00 O ATOM 0 H ASP A 52 -2.611 -12.919 -6.615 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.964 -12.819 -9.415 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.375 -10.930 -7.055 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.819 -10.422 -8.672 1.00 0.00 H new ATOM 851 N ILE A 53 -0.762 -10.595 -8.373 1.00 0.00 N ATOM 852 CA ILE A 53 0.388 -9.786 -8.861 1.00 0.00 C ATOM 853 C ILE A 53 1.419 -10.738 -9.460 1.00 0.00 C ATOM 854 O ILE A 53 2.142 -10.403 -10.377 1.00 0.00 O ATOM 855 CB ILE A 53 0.949 -9.097 -7.616 1.00 0.00 C ATOM 856 CG1 ILE A 53 -0.106 -8.141 -7.041 1.00 0.00 C ATOM 857 CG2 ILE A 53 2.213 -8.316 -7.989 1.00 0.00 C ATOM 858 CD1 ILE A 53 -0.119 -6.836 -7.838 1.00 0.00 C ATOM 0 H ILE A 53 -0.961 -10.508 -7.376 1.00 0.00 H new ATOM 0 HA ILE A 53 0.114 -9.057 -9.623 1.00 0.00 H new ATOM 0 HB ILE A 53 1.200 -9.846 -6.865 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.090 -8.608 -7.077 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.111 -7.935 -5.993 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.613 -7.825 -7.102 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.959 -9.002 -8.391 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.968 -7.565 -8.740 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.870 -6.164 -7.423 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.862 -6.364 -7.780 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.358 -7.048 -8.880 1.00 0.00 H new ATOM 870 N VAL A 54 1.469 -11.938 -8.946 1.00 0.00 N ATOM 871 CA VAL A 54 2.428 -12.945 -9.474 1.00 0.00 C ATOM 872 C VAL A 54 1.945 -13.429 -10.847 1.00 0.00 C ATOM 873 O VAL A 54 2.612 -13.251 -11.847 1.00 0.00 O ATOM 874 CB VAL A 54 2.423 -14.074 -8.424 1.00 0.00 C ATOM 875 CG1 VAL A 54 2.606 -15.442 -9.088 1.00 0.00 C ATOM 876 CG2 VAL A 54 3.560 -13.846 -7.429 1.00 0.00 C ATOM 0 H VAL A 54 0.882 -12.264 -8.178 1.00 0.00 H new ATOM 0 HA VAL A 54 3.436 -12.557 -9.621 1.00 0.00 H new ATOM 0 HB VAL A 54 1.462 -14.061 -7.910 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.599 -16.221 -8.325 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.792 -15.616 -9.792 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.557 -15.464 -9.620 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.558 -14.643 -6.686 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.513 -13.846 -7.959 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.421 -12.886 -6.932 1.00 0.00 H new ATOM 886 N SER A 55 0.786 -14.024 -10.904 1.00 0.00 N ATOM 887 CA SER A 55 0.260 -14.499 -12.219 1.00 0.00 C ATOM 888 C SER A 55 -0.712 -13.474 -12.803 1.00 0.00 C ATOM 889 O SER A 55 -1.522 -12.904 -12.102 1.00 0.00 O ATOM 890 CB SER A 55 -0.468 -15.809 -11.929 1.00 0.00 C ATOM 891 OG SER A 55 -0.299 -16.155 -10.562 1.00 0.00 O ATOM 0 H SER A 55 0.181 -14.202 -10.102 1.00 0.00 H new ATOM 0 HA SER A 55 1.062 -14.636 -12.944 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.528 -15.707 -12.160 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.078 -16.602 -12.566 1.00 0.00 H new ATOM 0 HG SER A 55 -1.153 -16.465 -10.195 1.00 0.00 H new ATOM 897 N GLY A 56 -0.646 -13.238 -14.082 1.00 0.00 N ATOM 898 CA GLY A 56 -1.571 -12.255 -14.701 1.00 0.00 C ATOM 899 C GLY A 56 -0.884 -10.897 -14.775 1.00 0.00 C ATOM 900 O GLY A 56 -0.607 -10.274 -13.770 1.00 0.00 O ATOM 0 H GLY A 56 0.009 -13.684 -14.724 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.857 -12.586 -15.699 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.487 -12.181 -14.115 1.00 0.00 H new ATOM 904 N LYS A 57 -0.607 -10.430 -15.959 1.00 0.00 N ATOM 905 CA LYS A 57 0.061 -9.105 -16.107 1.00 0.00 C ATOM 906 C LYS A 57 -0.884 -7.988 -15.659 1.00 0.00 C ATOM 907 O LYS A 57 -1.166 -7.063 -16.394 1.00 0.00 O ATOM 908 CB LYS A 57 0.372 -8.984 -17.598 1.00 0.00 C ATOM 909 CG LYS A 57 1.232 -7.742 -17.842 1.00 0.00 C ATOM 910 CD LYS A 57 0.585 -6.876 -18.923 1.00 0.00 C ATOM 911 CE LYS A 57 1.543 -5.747 -19.312 1.00 0.00 C ATOM 912 NZ LYS A 57 2.025 -6.105 -20.675 1.00 0.00 N ATOM 0 H LYS A 57 -0.815 -10.910 -16.835 1.00 0.00 H new ATOM 0 HA LYS A 57 0.961 -9.022 -15.498 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.895 -9.875 -17.944 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.554 -8.916 -18.169 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.336 -7.172 -16.919 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.235 -8.036 -18.150 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.347 -7.483 -19.797 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.354 -6.461 -18.558 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.036 -4.782 -19.313 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.371 -5.671 -18.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.688 -5.377 -21.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.509 -7.025 -20.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.216 -6.163 -21.325 1.00 0.00 H new ATOM 926 N ALA A 58 -1.373 -8.071 -14.454 1.00 0.00 N ATOM 927 CA ALA A 58 -2.299 -7.029 -13.936 1.00 0.00 C ATOM 928 C ALA A 58 -1.626 -5.656 -13.944 1.00 0.00 C ATOM 929 O ALA A 58 -2.270 -4.639 -13.784 1.00 0.00 O ATOM 930 CB ALA A 58 -2.576 -7.469 -12.508 1.00 0.00 C ATOM 0 H ALA A 58 -1.168 -8.826 -13.799 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.203 -6.934 -14.538 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.255 -6.760 -12.034 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.031 -8.459 -12.514 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.640 -7.504 -11.950 1.00 0.00 H new ATOM 936 N ASN A 59 -0.336 -5.631 -14.117 1.00 0.00 N ATOM 937 CA ASN A 59 0.410 -4.340 -14.132 1.00 0.00 C ATOM 938 C ASN A 59 0.404 -3.717 -12.731 1.00 0.00 C ATOM 939 O ASN A 59 0.826 -4.337 -11.775 1.00 0.00 O ATOM 940 CB ASN A 59 -0.334 -3.466 -15.139 1.00 0.00 C ATOM 941 CG ASN A 59 0.528 -2.256 -15.501 1.00 0.00 C ATOM 942 OD1 ASN A 59 0.358 -1.186 -14.950 1.00 0.00 O ATOM 943 ND2 ASN A 59 1.454 -2.380 -16.412 1.00 0.00 N ATOM 0 H ASN A 59 0.243 -6.460 -14.251 1.00 0.00 H new ATOM 0 HA ASN A 59 1.457 -4.459 -14.411 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.565 -4.042 -16.035 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -1.284 -3.136 -14.718 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.035 -1.579 -16.661 1.00 0.00 H new ATOM 0 HD22 ASN A 59 1.597 -3.278 -16.875 1.00 0.00 H new ATOM 950 N PHE A 60 -0.062 -2.503 -12.588 1.00 0.00 N ATOM 951 CA PHE A 60 -0.073 -1.881 -11.232 1.00 0.00 C ATOM 952 C PHE A 60 -0.745 -0.505 -11.265 1.00 0.00 C ATOM 953 O PHE A 60 -1.706 -0.256 -10.566 1.00 0.00 O ATOM 954 CB PHE A 60 1.402 -1.744 -10.854 1.00 0.00 C ATOM 955 CG PHE A 60 1.534 -1.704 -9.351 1.00 0.00 C ATOM 956 CD1 PHE A 60 1.332 -2.868 -8.599 1.00 0.00 C ATOM 957 CD2 PHE A 60 1.858 -0.503 -8.709 1.00 0.00 C ATOM 958 CE1 PHE A 60 1.455 -2.830 -7.205 1.00 0.00 C ATOM 959 CE2 PHE A 60 1.980 -0.465 -7.316 1.00 0.00 C ATOM 960 CZ PHE A 60 1.779 -1.629 -6.564 1.00 0.00 C ATOM 0 H PHE A 60 -0.431 -1.922 -13.341 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.633 -2.481 -10.515 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.971 -2.581 -11.258 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.818 -0.836 -11.291 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.081 -3.794 -9.094 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.014 0.394 -9.289 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.300 -3.727 -6.624 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.229 0.462 -6.821 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.874 -1.600 -5.489 1.00 0.00 H new ATOM 970 N GLU A 61 -0.234 0.389 -12.061 1.00 0.00 N ATOM 971 CA GLU A 61 -0.826 1.758 -12.133 1.00 0.00 C ATOM 972 C GLU A 61 -2.353 1.693 -12.209 1.00 0.00 C ATOM 973 O GLU A 61 -3.035 1.834 -11.213 1.00 0.00 O ATOM 974 CB GLU A 61 -0.252 2.374 -13.410 1.00 0.00 C ATOM 975 CG GLU A 61 0.829 3.394 -13.045 1.00 0.00 C ATOM 976 CD GLU A 61 0.567 4.704 -13.790 1.00 0.00 C ATOM 977 OE1 GLU A 61 -0.306 5.441 -13.362 1.00 0.00 O ATOM 978 OE2 GLU A 61 1.244 4.948 -14.775 1.00 0.00 O ATOM 0 H GLU A 61 0.571 0.233 -12.668 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.587 2.347 -11.248 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.169 1.594 -14.045 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.045 2.857 -13.981 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.830 3.569 -11.969 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.813 3.006 -13.306 1.00 0.00 H new ATOM 985 N GLU A 62 -2.894 1.493 -13.382 1.00 0.00 N ATOM 986 CA GLU A 62 -4.379 1.430 -13.519 1.00 0.00 C ATOM 987 C GLU A 62 -4.982 0.651 -12.350 1.00 0.00 C ATOM 988 O GLU A 62 -5.934 1.083 -11.731 1.00 0.00 O ATOM 989 CB GLU A 62 -4.625 0.698 -14.839 1.00 0.00 C ATOM 990 CG GLU A 62 -5.192 1.675 -15.871 1.00 0.00 C ATOM 991 CD GLU A 62 -4.558 1.400 -17.236 1.00 0.00 C ATOM 992 OE1 GLU A 62 -4.687 0.285 -17.713 1.00 0.00 O ATOM 993 OE2 GLU A 62 -3.954 2.310 -17.781 1.00 0.00 O ATOM 0 H GLU A 62 -2.373 1.371 -14.250 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.838 2.418 -13.512 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.694 0.266 -15.206 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.320 -0.127 -14.685 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.275 1.567 -15.933 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.991 2.702 -15.565 1.00 0.00 H new ATOM 1000 N VAL A 63 -4.431 -0.487 -12.035 1.00 0.00 N ATOM 1001 CA VAL A 63 -4.973 -1.275 -10.895 1.00 0.00 C ATOM 1002 C VAL A 63 -4.933 -0.428 -9.627 1.00 0.00 C ATOM 1003 O VAL A 63 -5.871 -0.396 -8.858 1.00 0.00 O ATOM 1004 CB VAL A 63 -4.045 -2.482 -10.763 1.00 0.00 C ATOM 1005 CG1 VAL A 63 -4.666 -3.505 -9.810 1.00 0.00 C ATOM 1006 CG2 VAL A 63 -3.846 -3.122 -12.137 1.00 0.00 C ATOM 0 H VAL A 63 -3.633 -0.904 -12.515 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.007 -1.581 -11.052 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.082 -2.158 -10.368 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.003 -4.365 -9.717 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.809 -3.049 -8.830 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.629 -3.830 -10.203 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.184 -3.983 -12.045 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.810 -3.445 -12.531 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.402 -2.394 -12.816 1.00 0.00 H new ATOM 1016 N ALA A 64 -3.852 0.266 -9.410 1.00 0.00 N ATOM 1017 CA ALA A 64 -3.749 1.120 -8.195 1.00 0.00 C ATOM 1018 C ALA A 64 -4.701 2.310 -8.310 1.00 0.00 C ATOM 1019 O ALA A 64 -5.496 2.565 -7.430 1.00 0.00 O ATOM 1020 CB ALA A 64 -2.298 1.601 -8.168 1.00 0.00 C ATOM 0 H ALA A 64 -3.035 0.279 -10.021 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.016 0.580 -7.287 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.142 2.239 -7.298 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.631 0.741 -8.112 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.085 2.167 -9.075 1.00 0.00 H new ATOM 1026 N THR A 65 -4.627 3.035 -9.392 1.00 0.00 N ATOM 1027 CA THR A 65 -5.527 4.210 -9.568 1.00 0.00 C ATOM 1028 C THR A 65 -6.942 3.871 -9.089 1.00 0.00 C ATOM 1029 O THR A 65 -7.618 4.686 -8.492 1.00 0.00 O ATOM 1030 CB THR A 65 -5.512 4.484 -11.069 1.00 0.00 C ATOM 1031 OG1 THR A 65 -5.077 3.319 -11.750 1.00 0.00 O ATOM 1032 CG2 THR A 65 -4.561 5.641 -11.373 1.00 0.00 C ATOM 0 H THR A 65 -3.981 2.864 -10.163 1.00 0.00 H new ATOM 0 HA THR A 65 -5.203 5.076 -8.991 1.00 0.00 H new ATOM 0 HB THR A 65 -6.515 4.750 -11.401 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.778 2.636 -11.710 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.553 5.833 -12.446 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.896 6.535 -10.846 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.555 5.381 -11.044 1.00 0.00 H new ATOM 1040 N ARG A 66 -7.391 2.671 -9.337 1.00 0.00 N ATOM 1041 CA ARG A 66 -8.757 2.275 -8.888 1.00 0.00 C ATOM 1042 C ARG A 66 -8.715 1.833 -7.425 1.00 0.00 C ATOM 1043 O ARG A 66 -9.382 2.386 -6.574 1.00 0.00 O ATOM 1044 CB ARG A 66 -9.147 1.103 -9.790 1.00 0.00 C ATOM 1045 CG ARG A 66 -10.624 0.763 -9.579 1.00 0.00 C ATOM 1046 CD ARG A 66 -10.764 -0.208 -8.403 1.00 0.00 C ATOM 1047 NE ARG A 66 -11.974 0.253 -7.667 1.00 0.00 N ATOM 1048 CZ ARG A 66 -12.926 -0.593 -7.380 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -12.643 -1.713 -6.776 1.00 0.00 N ATOM 1050 NH2 ARG A 66 -14.161 -0.318 -7.698 1.00 0.00 N ATOM 0 H ARG A 66 -6.871 1.947 -9.832 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.472 3.095 -8.957 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.968 1.359 -10.834 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.528 0.235 -9.564 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -11.193 1.672 -9.383 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -11.038 0.317 -10.483 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.880 -1.235 -8.750 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.881 -0.185 -7.765 1.00 0.00 H new ATOM 0 HE ARG A 66 -12.059 1.230 -7.387 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.678 -1.929 -6.527 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.387 -2.374 -6.552 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.383 0.558 -8.171 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.905 -0.979 -7.474 1.00 0.00 H new ATOM 1064 N VAL A 67 -7.926 0.841 -7.133 1.00 0.00 N ATOM 1065 CA VAL A 67 -7.819 0.350 -5.730 1.00 0.00 C ATOM 1066 C VAL A 67 -6.620 1.014 -5.045 1.00 0.00 C ATOM 1067 O VAL A 67 -5.674 0.360 -4.658 1.00 0.00 O ATOM 1068 CB VAL A 67 -7.604 -1.160 -5.864 1.00 0.00 C ATOM 1069 CG1 VAL A 67 -6.262 -1.430 -6.545 1.00 0.00 C ATOM 1070 CG2 VAL A 67 -7.601 -1.807 -4.480 1.00 0.00 C ATOM 0 H VAL A 67 -7.346 0.344 -7.809 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.698 0.581 -5.129 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.411 -1.582 -6.463 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.112 -2.505 -6.639 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.259 -0.975 -7.536 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.458 -1.002 -5.947 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.448 -2.881 -4.581 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.797 -1.380 -3.881 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.557 -1.621 -3.990 1.00 0.00 H new ATOM 1080 N SER A 68 -6.646 2.314 -4.914 1.00 0.00 N ATOM 1081 CA SER A 68 -5.497 3.026 -4.277 1.00 0.00 C ATOM 1082 C SER A 68 -5.944 3.836 -3.057 1.00 0.00 C ATOM 1083 O SER A 68 -7.119 4.036 -2.822 1.00 0.00 O ATOM 1084 CB SER A 68 -4.991 3.972 -5.357 1.00 0.00 C ATOM 1085 OG SER A 68 -6.096 4.406 -6.138 1.00 0.00 O ATOM 0 H SER A 68 -7.412 2.914 -5.220 1.00 0.00 H new ATOM 0 HA SER A 68 -4.740 2.325 -3.925 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.489 4.827 -4.905 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.258 3.468 -5.987 1.00 0.00 H new ATOM 0 HG SER A 68 -6.420 3.662 -6.688 1.00 0.00 H new ATOM 1091 N ASP A 69 -5.001 4.318 -2.291 1.00 0.00 N ATOM 1092 CA ASP A 69 -5.344 5.136 -1.092 1.00 0.00 C ATOM 1093 C ASP A 69 -5.756 6.544 -1.521 1.00 0.00 C ATOM 1094 O ASP A 69 -5.042 7.504 -1.307 1.00 0.00 O ATOM 1095 CB ASP A 69 -4.061 5.182 -0.261 1.00 0.00 C ATOM 1096 CG ASP A 69 -4.395 5.621 1.166 1.00 0.00 C ATOM 1097 OD1 ASP A 69 -5.561 5.868 1.430 1.00 0.00 O ATOM 1098 OD2 ASP A 69 -3.481 5.703 1.969 1.00 0.00 O ATOM 0 H ASP A 69 -4.002 4.179 -2.446 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.177 4.716 -0.528 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.587 4.201 -0.250 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.349 5.875 -0.709 1.00 0.00 H new ATOM 1103 N CYS A 70 -6.904 6.672 -2.126 1.00 0.00 N ATOM 1104 CA CYS A 70 -7.373 8.013 -2.576 1.00 0.00 C ATOM 1105 C CYS A 70 -6.210 8.808 -3.182 1.00 0.00 C ATOM 1106 O CYS A 70 -5.896 8.675 -4.352 1.00 0.00 O ATOM 1107 CB CYS A 70 -7.897 8.697 -1.314 1.00 0.00 C ATOM 1108 SG CYS A 70 -8.278 10.428 -1.681 1.00 0.00 S ATOM 0 H CYS A 70 -7.541 5.902 -2.329 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.141 7.943 -3.346 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -8.790 8.185 -0.954 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -7.153 8.638 -0.520 1.00 0.00 H new ATOM 0 HG CYS A 70 -8.726 11.010 -0.609 1.00 0.00 H new ATOM 1114 N SER A 71 -5.550 9.619 -2.397 1.00 0.00 N ATOM 1115 CA SER A 71 -4.399 10.387 -2.941 1.00 0.00 C ATOM 1116 C SER A 71 -3.524 9.427 -3.725 1.00 0.00 C ATOM 1117 O SER A 71 -3.102 9.701 -4.832 1.00 0.00 O ATOM 1118 CB SER A 71 -3.665 10.904 -1.712 1.00 0.00 C ATOM 1119 OG SER A 71 -2.630 11.793 -2.114 1.00 0.00 O ATOM 0 H SER A 71 -5.758 9.780 -1.412 1.00 0.00 H new ATOM 0 HA SER A 71 -4.686 11.204 -3.603 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.362 11.417 -1.049 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.244 10.070 -1.150 1.00 0.00 H new ATOM 0 HG SER A 71 -2.159 12.127 -1.322 1.00 0.00 H new ATOM 1125 N SER A 72 -3.277 8.285 -3.159 1.00 0.00 N ATOM 1126 CA SER A 72 -2.458 7.271 -3.867 1.00 0.00 C ATOM 1127 C SER A 72 -3.078 7.013 -5.239 1.00 0.00 C ATOM 1128 O SER A 72 -2.388 6.800 -6.209 1.00 0.00 O ATOM 1129 CB SER A 72 -2.512 6.022 -2.993 1.00 0.00 C ATOM 1130 OG SER A 72 -2.143 4.889 -3.768 1.00 0.00 O ATOM 0 H SER A 72 -3.608 8.009 -2.234 1.00 0.00 H new ATOM 0 HA SER A 72 -1.427 7.587 -4.025 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.839 6.130 -2.143 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.516 5.890 -2.590 1.00 0.00 H new ATOM 0 HG SER A 72 -2.175 4.085 -3.208 1.00 0.00 H new ATOM 1136 N ALA A 73 -4.378 7.068 -5.345 1.00 0.00 N ATOM 1137 CA ALA A 73 -4.996 6.865 -6.683 1.00 0.00 C ATOM 1138 C ALA A 73 -4.279 7.789 -7.657 1.00 0.00 C ATOM 1139 O ALA A 73 -3.885 7.397 -8.737 1.00 0.00 O ATOM 1140 CB ALA A 73 -6.466 7.258 -6.531 1.00 0.00 C ATOM 0 H ALA A 73 -5.027 7.241 -4.578 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.919 5.842 -7.050 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.977 7.130 -7.485 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.936 6.624 -5.779 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.534 8.300 -6.220 1.00 0.00 H new ATOM 1146 N LYS A 74 -4.065 9.012 -7.254 1.00 0.00 N ATOM 1147 CA LYS A 74 -3.324 9.958 -8.128 1.00 0.00 C ATOM 1148 C LYS A 74 -1.908 9.406 -8.326 1.00 0.00 C ATOM 1149 O LYS A 74 -1.291 9.578 -9.359 1.00 0.00 O ATOM 1150 CB LYS A 74 -3.304 11.280 -7.355 1.00 0.00 C ATOM 1151 CG LYS A 74 -2.759 12.387 -8.259 1.00 0.00 C ATOM 1152 CD LYS A 74 -1.333 12.741 -7.833 1.00 0.00 C ATOM 1153 CE LYS A 74 -1.363 13.975 -6.929 1.00 0.00 C ATOM 1154 NZ LYS A 74 -0.354 14.903 -7.512 1.00 0.00 N ATOM 0 H LYS A 74 -4.371 9.394 -6.359 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.772 10.095 -9.112 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.309 11.532 -7.018 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.684 11.184 -6.464 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.768 12.059 -9.298 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.397 13.268 -8.197 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.880 11.901 -7.305 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.717 12.935 -8.711 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.354 14.429 -6.913 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.114 13.717 -5.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.316 15.775 -6.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.581 14.447 -7.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.621 15.137 -8.490 1.00 0.00 H new ATOM 1168 N ARG A 75 -1.413 8.714 -7.333 1.00 0.00 N ATOM 1169 CA ARG A 75 -0.056 8.098 -7.419 1.00 0.00 C ATOM 1170 C ARG A 75 -0.203 6.572 -7.430 1.00 0.00 C ATOM 1171 O ARG A 75 0.517 5.861 -6.757 1.00 0.00 O ATOM 1172 CB ARG A 75 0.662 8.546 -6.146 1.00 0.00 C ATOM 1173 CG ARG A 75 1.239 9.946 -6.343 1.00 0.00 C ATOM 1174 CD ARG A 75 0.938 10.800 -5.109 1.00 0.00 C ATOM 1175 NE ARG A 75 1.793 12.010 -5.262 1.00 0.00 N ATOM 1176 CZ ARG A 75 2.478 12.459 -4.246 1.00 0.00 C ATOM 1177 NH1 ARG A 75 1.989 12.372 -3.039 1.00 0.00 N ATOM 1178 NH2 ARG A 75 3.651 12.996 -4.438 1.00 0.00 N ATOM 0 H ARG A 75 -1.900 8.547 -6.452 1.00 0.00 H new ATOM 0 HA ARG A 75 0.488 8.392 -8.317 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.032 8.544 -5.306 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.460 7.845 -5.902 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.315 9.888 -6.505 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.808 10.407 -7.232 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.118 11.066 -5.061 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.174 10.263 -4.190 1.00 0.00 H new ATOM 0 HE ARG A 75 1.843 12.488 -6.162 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.071 11.953 -2.890 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.525 12.723 -2.245 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.032 13.065 -5.382 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.187 13.347 -3.645 1.00 0.00 H new ATOM 1192 N GLY A 76 -1.151 6.071 -8.178 1.00 0.00 N ATOM 1193 CA GLY A 76 -1.379 4.599 -8.230 1.00 0.00 C ATOM 1194 C GLY A 76 -0.053 3.905 -8.486 1.00 0.00 C ATOM 1195 O GLY A 76 0.136 2.749 -8.165 1.00 0.00 O ATOM 0 H GLY A 76 -1.781 6.624 -8.759 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.812 4.251 -7.292 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.091 4.355 -9.019 1.00 0.00 H new ATOM 1199 N GLY A 77 0.868 4.614 -9.061 1.00 0.00 N ATOM 1200 CA GLY A 77 2.199 4.011 -9.343 1.00 0.00 C ATOM 1201 C GLY A 77 2.934 3.755 -8.025 1.00 0.00 C ATOM 1202 O GLY A 77 2.707 2.764 -7.346 1.00 0.00 O ATOM 0 H GLY A 77 0.760 5.586 -9.350 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.078 3.077 -9.891 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.785 4.678 -9.975 1.00 0.00 H new ATOM 1206 N ASP A 78 3.819 4.635 -7.652 1.00 0.00 N ATOM 1207 CA ASP A 78 4.565 4.425 -6.384 1.00 0.00 C ATOM 1208 C ASP A 78 4.806 5.749 -5.658 1.00 0.00 C ATOM 1209 O ASP A 78 4.626 6.818 -6.209 1.00 0.00 O ATOM 1210 CB ASP A 78 5.897 3.812 -6.815 1.00 0.00 C ATOM 1211 CG ASP A 78 6.703 4.846 -7.601 1.00 0.00 C ATOM 1212 OD1 ASP A 78 6.391 5.052 -8.761 1.00 0.00 O ATOM 1213 OD2 ASP A 78 7.618 5.415 -7.028 1.00 0.00 O ATOM 0 H ASP A 78 4.056 5.484 -8.166 1.00 0.00 H new ATOM 0 HA ASP A 78 4.012 3.790 -5.692 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.459 3.485 -5.940 1.00 0.00 H new ATOM 0 HB3 ASP A 78 5.721 2.929 -7.429 1.00 0.00 H new ATOM 1218 N LEU A 79 5.231 5.678 -4.427 1.00 0.00 N ATOM 1219 CA LEU A 79 5.511 6.921 -3.656 1.00 0.00 C ATOM 1220 C LEU A 79 6.719 7.629 -4.268 1.00 0.00 C ATOM 1221 O LEU A 79 6.597 8.595 -4.995 1.00 0.00 O ATOM 1222 CB LEU A 79 5.854 6.441 -2.240 1.00 0.00 C ATOM 1223 CG LEU A 79 4.579 6.059 -1.487 1.00 0.00 C ATOM 1224 CD1 LEU A 79 3.827 4.974 -2.262 1.00 0.00 C ATOM 1225 CD2 LEU A 79 4.950 5.522 -0.101 1.00 0.00 C ATOM 0 H LEU A 79 5.397 4.809 -3.920 1.00 0.00 H new ATOM 0 HA LEU A 79 4.672 7.616 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.525 5.584 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.382 7.227 -1.700 1.00 0.00 H new ATOM 0 HG LEU A 79 3.944 6.939 -1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.919 4.704 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.563 5.350 -3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.462 4.094 -2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.043 5.249 0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.586 4.644 -0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.485 6.291 0.456 1.00 0.00 H new ATOM 1237 N GLY A 80 7.884 7.133 -3.973 1.00 0.00 N ATOM 1238 CA GLY A 80 9.132 7.730 -4.514 1.00 0.00 C ATOM 1239 C GLY A 80 10.237 7.515 -3.500 1.00 0.00 C ATOM 1240 O GLY A 80 10.903 6.514 -3.521 1.00 0.00 O ATOM 0 H GLY A 80 8.027 6.324 -3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.394 7.267 -5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.993 8.794 -4.705 1.00 0.00 H new ATOM 1244 N SER A 81 10.424 8.443 -2.604 1.00 0.00 N ATOM 1245 CA SER A 81 11.494 8.280 -1.581 1.00 0.00 C ATOM 1246 C SER A 81 11.131 9.013 -0.287 1.00 0.00 C ATOM 1247 O SER A 81 10.728 10.159 -0.300 1.00 0.00 O ATOM 1248 CB SER A 81 12.732 8.903 -2.208 1.00 0.00 C ATOM 1249 OG SER A 81 12.765 10.293 -1.914 1.00 0.00 O ATOM 0 H SER A 81 9.884 9.305 -2.536 1.00 0.00 H new ATOM 0 HA SER A 81 11.643 7.234 -1.315 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.630 8.418 -1.825 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.723 8.749 -3.287 1.00 0.00 H new ATOM 0 HG SER A 81 13.563 10.694 -2.317 1.00 0.00 H new ATOM 1255 N PHE A 82 11.284 8.360 0.832 1.00 0.00 N ATOM 1256 CA PHE A 82 10.963 9.013 2.132 1.00 0.00 C ATOM 1257 C PHE A 82 11.651 8.258 3.273 1.00 0.00 C ATOM 1258 O PHE A 82 11.227 7.193 3.666 1.00 0.00 O ATOM 1259 CB PHE A 82 9.440 8.929 2.262 1.00 0.00 C ATOM 1260 CG PHE A 82 8.982 7.505 2.042 1.00 0.00 C ATOM 1261 CD1 PHE A 82 8.999 6.949 0.757 1.00 0.00 C ATOM 1262 CD2 PHE A 82 8.537 6.742 3.127 1.00 0.00 C ATOM 1263 CE1 PHE A 82 8.574 5.633 0.558 1.00 0.00 C ATOM 1264 CE2 PHE A 82 8.110 5.425 2.927 1.00 0.00 C ATOM 1265 CZ PHE A 82 8.129 4.871 1.642 1.00 0.00 C ATOM 0 H PHE A 82 11.619 7.399 0.902 1.00 0.00 H new ATOM 0 HA PHE A 82 11.309 10.046 2.177 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.131 9.271 3.250 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.967 9.589 1.534 1.00 0.00 H new ATOM 0 HD1 PHE A 82 9.341 7.538 -0.081 1.00 0.00 H new ATOM 0 HD2 PHE A 82 8.523 7.170 4.119 1.00 0.00 H new ATOM 0 HE1 PHE A 82 8.589 5.205 -0.433 1.00 0.00 H new ATOM 0 HE2 PHE A 82 7.766 4.836 3.764 1.00 0.00 H new ATOM 0 HZ PHE A 82 7.800 3.854 1.488 1.00 0.00 H new ATOM 1275 N GLY A 83 12.715 8.798 3.804 1.00 0.00 N ATOM 1276 CA GLY A 83 13.427 8.102 4.912 1.00 0.00 C ATOM 1277 C GLY A 83 12.665 8.312 6.221 1.00 0.00 C ATOM 1278 O GLY A 83 11.636 7.711 6.454 1.00 0.00 O ATOM 0 H GLY A 83 13.121 9.689 3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.509 7.037 4.693 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.442 8.487 5.004 1.00 0.00 H new ATOM 1282 N ARG A 84 13.162 9.161 7.077 1.00 0.00 N ATOM 1283 CA ARG A 84 12.462 9.408 8.371 1.00 0.00 C ATOM 1284 C ARG A 84 11.377 10.474 8.185 1.00 0.00 C ATOM 1285 O ARG A 84 11.572 11.633 8.494 1.00 0.00 O ATOM 1286 CB ARG A 84 13.550 9.904 9.326 1.00 0.00 C ATOM 1287 CG ARG A 84 14.790 9.017 9.197 1.00 0.00 C ATOM 1288 CD ARG A 84 14.389 7.548 9.346 1.00 0.00 C ATOM 1289 NE ARG A 84 13.552 7.500 10.577 1.00 0.00 N ATOM 1290 CZ ARG A 84 14.095 7.192 11.723 1.00 0.00 C ATOM 1291 NH1 ARG A 84 14.621 8.125 12.467 1.00 0.00 N ATOM 1292 NH2 ARG A 84 14.108 5.951 12.126 1.00 0.00 N ATOM 0 H ARG A 84 14.021 9.694 6.938 1.00 0.00 H new ATOM 0 HA ARG A 84 11.968 8.514 8.753 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.805 10.939 9.097 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.183 9.886 10.352 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.266 9.178 8.230 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.521 9.284 9.960 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.832 7.201 8.476 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.266 6.907 9.440 1.00 0.00 H new ATOM 0 HE ARG A 84 12.555 7.708 10.524 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.608 9.095 12.153 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.045 7.884 13.363 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.694 5.222 11.545 1.00 0.00 H new ATOM 0 HH22 ARG A 84 14.532 5.710 13.022 1.00 0.00 H new ATOM 1306 N GLY A 85 10.236 10.089 7.681 1.00 0.00 N ATOM 1307 CA GLY A 85 9.138 11.077 7.471 1.00 0.00 C ATOM 1308 C GLY A 85 7.991 10.404 6.713 1.00 0.00 C ATOM 1309 O GLY A 85 8.057 9.238 6.378 1.00 0.00 O ATOM 0 H GLY A 85 10.016 9.132 7.405 1.00 0.00 H new ATOM 0 HA2 GLY A 85 8.784 11.454 8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 85 9.507 11.935 6.909 1.00 0.00 H new ATOM 1313 N GLN A 86 6.938 11.126 6.435 1.00 0.00 N ATOM 1314 CA GLN A 86 5.796 10.513 5.697 1.00 0.00 C ATOM 1315 C GLN A 86 5.290 9.277 6.450 1.00 0.00 C ATOM 1316 O GLN A 86 5.009 9.329 7.631 1.00 0.00 O ATOM 1317 CB GLN A 86 6.374 10.092 4.341 1.00 0.00 C ATOM 1318 CG GLN A 86 7.304 11.165 3.792 1.00 0.00 C ATOM 1319 CD GLN A 86 6.485 12.363 3.307 1.00 0.00 C ATOM 1320 OE1 GLN A 86 5.549 12.207 2.548 1.00 0.00 O ATOM 1321 NE2 GLN A 86 6.800 13.563 3.713 1.00 0.00 N ATOM 0 H GLN A 86 6.820 12.108 6.685 1.00 0.00 H new ATOM 0 HA GLN A 86 4.959 11.203 5.593 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.918 9.153 4.448 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.563 9.912 3.635 1.00 0.00 H new ATOM 0 HG2 GLN A 86 8.005 11.481 4.564 1.00 0.00 H new ATOM 0 HG3 GLN A 86 7.895 10.761 2.970 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.585 13.696 4.350 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.261 14.368 3.393 1.00 0.00 H new ATOM 1330 N MET A 87 5.191 8.168 5.760 1.00 0.00 N ATOM 1331 CA MET A 87 4.733 6.894 6.373 1.00 0.00 C ATOM 1332 C MET A 87 5.127 6.826 7.853 1.00 0.00 C ATOM 1333 O MET A 87 6.271 7.025 8.211 1.00 0.00 O ATOM 1334 CB MET A 87 5.482 5.841 5.559 1.00 0.00 C ATOM 1335 CG MET A 87 4.574 5.307 4.447 1.00 0.00 C ATOM 1336 SD MET A 87 3.928 6.689 3.468 1.00 0.00 S ATOM 1337 CE MET A 87 5.498 7.222 2.737 1.00 0.00 C ATOM 0 H MET A 87 5.417 8.097 4.768 1.00 0.00 H new ATOM 0 HA MET A 87 3.651 6.767 6.353 1.00 0.00 H new ATOM 0 HB2 MET A 87 6.385 6.274 5.128 1.00 0.00 H new ATOM 0 HB3 MET A 87 5.799 5.024 6.207 1.00 0.00 H new ATOM 0 HG2 MET A 87 5.131 4.624 3.806 1.00 0.00 H new ATOM 0 HG3 MET A 87 3.750 4.738 4.879 1.00 0.00 H new ATOM 0 HE1 MET A 87 5.319 8.056 2.059 1.00 0.00 H new ATOM 0 HE2 MET A 87 6.179 7.537 3.528 1.00 0.00 H new ATOM 0 HE3 MET A 87 5.942 6.394 2.184 1.00 0.00 H new ATOM 1347 N GLN A 88 4.185 6.556 8.715 1.00 0.00 N ATOM 1348 CA GLN A 88 4.501 6.486 10.170 1.00 0.00 C ATOM 1349 C GLN A 88 5.520 5.368 10.449 1.00 0.00 C ATOM 1350 O GLN A 88 6.535 5.266 9.789 1.00 0.00 O ATOM 1351 CB GLN A 88 3.158 6.200 10.846 1.00 0.00 C ATOM 1352 CG GLN A 88 2.212 7.382 10.623 1.00 0.00 C ATOM 1353 CD GLN A 88 0.766 6.883 10.609 1.00 0.00 C ATOM 1354 OE1 GLN A 88 0.326 6.224 9.572 1.00 0.00 O flip ATOM 1355 NE2 GLN A 88 0.028 7.096 11.551 1.00 0.00 N flip ATOM 0 H GLN A 88 3.209 6.381 8.474 1.00 0.00 H new ATOM 0 HA GLN A 88 4.953 7.404 10.544 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.721 5.289 10.438 1.00 0.00 H new ATOM 0 HB3 GLN A 88 3.304 6.034 11.913 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.345 8.122 11.412 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.446 7.876 9.680 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.371 7.611 12.362 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.935 6.760 11.531 1.00 0.00 H new ATOM 1364 N LYS A 89 5.270 4.542 11.431 1.00 0.00 N ATOM 1365 CA LYS A 89 6.234 3.453 11.760 1.00 0.00 C ATOM 1366 C LYS A 89 5.855 2.092 11.133 1.00 0.00 C ATOM 1367 O LYS A 89 6.725 1.266 10.938 1.00 0.00 O ATOM 1368 CB LYS A 89 6.190 3.351 13.284 1.00 0.00 C ATOM 1369 CG LYS A 89 6.663 4.667 13.900 1.00 0.00 C ATOM 1370 CD LYS A 89 7.337 4.386 15.245 1.00 0.00 C ATOM 1371 CE LYS A 89 8.214 5.577 15.635 1.00 0.00 C ATOM 1372 NZ LYS A 89 7.311 6.758 15.552 1.00 0.00 N ATOM 0 H LYS A 89 4.438 4.575 12.020 1.00 0.00 H new ATOM 0 HA LYS A 89 7.222 3.686 11.362 1.00 0.00 H new ATOM 0 HB2 LYS A 89 5.176 3.127 13.614 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.824 2.531 13.622 1.00 0.00 H new ATOM 0 HG2 LYS A 89 7.362 5.165 13.228 1.00 0.00 H new ATOM 0 HG3 LYS A 89 5.818 5.341 14.038 1.00 0.00 H new ATOM 0 HD2 LYS A 89 6.583 4.210 16.012 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.942 3.482 15.179 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.618 5.458 16.640 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.064 5.680 14.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.646 7.497 16.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.310 7.127 14.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.345 6.476 15.816 1.00 0.00 H new ATOM 1386 N PRO A 90 4.587 1.867 10.854 1.00 0.00 N ATOM 1387 CA PRO A 90 4.184 0.558 10.282 1.00 0.00 C ATOM 1388 C PRO A 90 4.638 0.425 8.826 1.00 0.00 C ATOM 1389 O PRO A 90 5.377 -0.477 8.486 1.00 0.00 O ATOM 1390 CB PRO A 90 2.663 0.562 10.392 1.00 0.00 C ATOM 1391 CG PRO A 90 2.277 2.003 10.427 1.00 0.00 C ATOM 1392 CD PRO A 90 3.435 2.764 11.023 1.00 0.00 C ATOM 0 HA PRO A 90 4.638 -0.285 10.803 1.00 0.00 H new ATOM 0 HB2 PRO A 90 2.206 0.052 9.544 1.00 0.00 H new ATOM 0 HB3 PRO A 90 2.332 0.044 11.292 1.00 0.00 H new ATOM 0 HG2 PRO A 90 2.055 2.366 9.423 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.376 2.145 11.024 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.592 3.713 10.511 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.261 2.994 12.074 1.00 0.00 H new ATOM 1400 N PHE A 91 4.205 1.300 7.959 1.00 0.00 N ATOM 1401 CA PHE A 91 4.630 1.178 6.535 1.00 0.00 C ATOM 1402 C PHE A 91 6.152 1.155 6.435 1.00 0.00 C ATOM 1403 O PHE A 91 6.737 0.209 5.952 1.00 0.00 O ATOM 1404 CB PHE A 91 4.083 2.412 5.807 1.00 0.00 C ATOM 1405 CG PHE A 91 4.490 2.330 4.349 1.00 0.00 C ATOM 1406 CD1 PHE A 91 5.842 2.426 3.989 1.00 0.00 C ATOM 1407 CD2 PHE A 91 3.523 2.120 3.359 1.00 0.00 C ATOM 1408 CE1 PHE A 91 6.225 2.313 2.657 1.00 0.00 C ATOM 1409 CE2 PHE A 91 3.909 2.015 2.014 1.00 0.00 C ATOM 1410 CZ PHE A 91 5.261 2.110 1.664 1.00 0.00 C ATOM 0 H PHE A 91 3.585 2.082 8.170 1.00 0.00 H new ATOM 0 HA PHE A 91 4.253 0.255 6.095 1.00 0.00 H new ATOM 0 HB2 PHE A 91 2.997 2.454 5.895 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.475 3.323 6.259 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.590 2.589 4.751 1.00 0.00 H new ATOM 0 HD2 PHE A 91 2.481 2.039 3.630 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.269 2.382 2.389 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.163 1.861 1.249 1.00 0.00 H new ATOM 0 HZ PHE A 91 5.559 2.027 0.629 1.00 0.00 H new ATOM 1420 N GLU A 92 6.791 2.211 6.851 1.00 0.00 N ATOM 1421 CA GLU A 92 8.278 2.280 6.747 1.00 0.00 C ATOM 1422 C GLU A 92 8.905 0.928 7.084 1.00 0.00 C ATOM 1423 O GLU A 92 9.517 0.292 6.248 1.00 0.00 O ATOM 1424 CB GLU A 92 8.703 3.343 7.761 1.00 0.00 C ATOM 1425 CG GLU A 92 9.880 4.143 7.198 1.00 0.00 C ATOM 1426 CD GLU A 92 9.650 5.636 7.442 1.00 0.00 C ATOM 1427 OE1 GLU A 92 8.754 6.186 6.823 1.00 0.00 O ATOM 1428 OE2 GLU A 92 10.375 6.203 8.242 1.00 0.00 O ATOM 0 H GLU A 92 6.348 3.033 7.260 1.00 0.00 H new ATOM 0 HA GLU A 92 8.604 2.530 5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 92 7.868 4.009 7.978 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.987 2.871 8.702 1.00 0.00 H new ATOM 0 HG2 GLU A 92 10.809 3.826 7.673 1.00 0.00 H new ATOM 0 HG3 GLU A 92 9.986 3.951 6.130 1.00 0.00 H new ATOM 1435 N GLU A 93 8.758 0.481 8.296 1.00 0.00 N ATOM 1436 CA GLU A 93 9.348 -0.834 8.672 1.00 0.00 C ATOM 1437 C GLU A 93 8.989 -1.881 7.614 1.00 0.00 C ATOM 1438 O GLU A 93 9.679 -2.866 7.439 1.00 0.00 O ATOM 1439 CB GLU A 93 8.719 -1.182 10.021 1.00 0.00 C ATOM 1440 CG GLU A 93 9.154 -0.150 11.064 1.00 0.00 C ATOM 1441 CD GLU A 93 10.663 -0.261 11.292 1.00 0.00 C ATOM 1442 OE1 GLU A 93 11.065 -1.135 12.043 1.00 0.00 O ATOM 1443 OE2 GLU A 93 11.390 0.527 10.711 1.00 0.00 O ATOM 0 H GLU A 93 8.258 0.965 9.041 1.00 0.00 H new ATOM 0 HA GLU A 93 10.436 -0.804 8.736 1.00 0.00 H new ATOM 0 HB2 GLU A 93 7.632 -1.194 9.936 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.026 -2.181 10.331 1.00 0.00 H new ATOM 0 HG2 GLU A 93 8.899 0.854 10.726 1.00 0.00 H new ATOM 0 HG3 GLU A 93 8.621 -0.316 12.000 1.00 0.00 H new ATOM 1450 N ALA A 94 7.918 -1.666 6.900 1.00 0.00 N ATOM 1451 CA ALA A 94 7.515 -2.637 5.843 1.00 0.00 C ATOM 1452 C ALA A 94 8.465 -2.530 4.654 1.00 0.00 C ATOM 1453 O ALA A 94 9.114 -3.484 4.273 1.00 0.00 O ATOM 1454 CB ALA A 94 6.102 -2.218 5.432 1.00 0.00 C ATOM 0 H ALA A 94 7.304 -0.858 7.003 1.00 0.00 H new ATOM 0 HA ALA A 94 7.547 -3.668 6.194 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.736 -2.888 4.654 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.441 -2.270 6.297 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.122 -1.197 5.051 1.00 0.00 H new ATOM 1460 N THR A 95 8.558 -1.370 4.072 1.00 0.00 N ATOM 1461 CA THR A 95 9.476 -1.196 2.914 1.00 0.00 C ATOM 1462 C THR A 95 10.918 -1.329 3.394 1.00 0.00 C ATOM 1463 O THR A 95 11.804 -1.695 2.649 1.00 0.00 O ATOM 1464 CB THR A 95 9.205 0.216 2.394 1.00 0.00 C ATOM 1465 OG1 THR A 95 7.823 0.356 2.090 1.00 0.00 O ATOM 1466 CG2 THR A 95 10.032 0.460 1.131 1.00 0.00 C ATOM 0 H THR A 95 8.040 -0.536 4.347 1.00 0.00 H new ATOM 0 HA THR A 95 9.320 -1.941 2.134 1.00 0.00 H new ATOM 0 HB THR A 95 9.482 0.943 3.158 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.367 0.798 2.836 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.840 1.466 0.759 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.092 0.355 1.364 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.755 -0.268 0.368 1.00 0.00 H new ATOM 1474 N TYR A 96 11.154 -1.046 4.646 1.00 0.00 N ATOM 1475 CA TYR A 96 12.532 -1.170 5.190 1.00 0.00 C ATOM 1476 C TYR A 96 12.845 -2.647 5.426 1.00 0.00 C ATOM 1477 O TYR A 96 13.988 -3.058 5.467 1.00 0.00 O ATOM 1478 CB TYR A 96 12.505 -0.402 6.512 1.00 0.00 C ATOM 1479 CG TYR A 96 13.062 0.986 6.300 1.00 0.00 C ATOM 1480 CD1 TYR A 96 14.429 1.160 6.056 1.00 0.00 C ATOM 1481 CD2 TYR A 96 12.212 2.098 6.348 1.00 0.00 C ATOM 1482 CE1 TYR A 96 14.946 2.446 5.859 1.00 0.00 C ATOM 1483 CE2 TYR A 96 12.730 3.384 6.150 1.00 0.00 C ATOM 1484 CZ TYR A 96 14.097 3.557 5.906 1.00 0.00 C ATOM 1485 OH TYR A 96 14.607 4.824 5.710 1.00 0.00 O ATOM 0 H TYR A 96 10.450 -0.734 5.315 1.00 0.00 H new ATOM 0 HA TYR A 96 13.294 -0.777 4.517 1.00 0.00 H new ATOM 0 HB2 TYR A 96 11.484 -0.342 6.889 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.092 -0.930 7.264 1.00 0.00 H new ATOM 0 HD1 TYR A 96 15.085 0.303 6.020 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.157 1.964 6.538 1.00 0.00 H new ATOM 0 HE1 TYR A 96 16.001 2.581 5.671 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.075 4.242 6.186 1.00 0.00 H new ATOM 0 HH TYR A 96 15.383 4.776 5.114 1.00 0.00 H new ATOM 1495 N ALA A 97 11.825 -3.448 5.576 1.00 0.00 N ATOM 1496 CA ALA A 97 12.035 -4.904 5.805 1.00 0.00 C ATOM 1497 C ALA A 97 12.152 -5.640 4.466 1.00 0.00 C ATOM 1498 O ALA A 97 12.866 -6.616 4.343 1.00 0.00 O ATOM 1499 CB ALA A 97 10.787 -5.362 6.560 1.00 0.00 C ATOM 0 H ALA A 97 10.849 -3.153 5.549 1.00 0.00 H new ATOM 0 HA ALA A 97 12.950 -5.110 6.360 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.860 -6.429 6.770 1.00 0.00 H new ATOM 0 HB2 ALA A 97 10.707 -4.812 7.498 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.903 -5.172 5.951 1.00 0.00 H new ATOM 1505 N LEU A 98 11.454 -5.182 3.462 1.00 0.00 N ATOM 1506 CA LEU A 98 11.525 -5.860 2.135 1.00 0.00 C ATOM 1507 C LEU A 98 12.665 -5.274 1.298 1.00 0.00 C ATOM 1508 O LEU A 98 12.898 -4.082 1.294 1.00 0.00 O ATOM 1509 CB LEU A 98 10.175 -5.582 1.471 1.00 0.00 C ATOM 1510 CG LEU A 98 9.798 -6.761 0.572 1.00 0.00 C ATOM 1511 CD1 LEU A 98 8.455 -7.339 1.021 1.00 0.00 C ATOM 1512 CD2 LEU A 98 9.687 -6.284 -0.879 1.00 0.00 C ATOM 0 H LEU A 98 10.839 -4.369 3.503 1.00 0.00 H new ATOM 0 HA LEU A 98 11.719 -6.928 2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.408 -5.430 2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 98 10.228 -4.665 0.884 1.00 0.00 H new ATOM 0 HG LEU A 98 10.567 -7.530 0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.188 -8.179 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.533 -7.681 2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.686 -6.570 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.418 -7.125 -1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.919 -5.513 -0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.644 -5.874 -1.201 1.00 0.00 H new ATOM 1524 N LYS A 99 13.377 -6.106 0.589 1.00 0.00 N ATOM 1525 CA LYS A 99 14.503 -5.600 -0.250 1.00 0.00 C ATOM 1526 C LYS A 99 14.564 -6.376 -1.568 1.00 0.00 C ATOM 1527 O LYS A 99 15.406 -7.230 -1.761 1.00 0.00 O ATOM 1528 CB LYS A 99 15.767 -5.847 0.580 1.00 0.00 C ATOM 1529 CG LYS A 99 15.686 -7.219 1.256 1.00 0.00 C ATOM 1530 CD LYS A 99 17.090 -7.676 1.659 1.00 0.00 C ATOM 1531 CE LYS A 99 17.512 -6.960 2.944 1.00 0.00 C ATOM 1532 NZ LYS A 99 18.931 -7.360 3.159 1.00 0.00 N ATOM 0 H LYS A 99 13.229 -7.115 0.553 1.00 0.00 H new ATOM 0 HA LYS A 99 14.387 -4.546 -0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.648 -5.798 -0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 99 15.877 -5.067 1.333 1.00 0.00 H new ATOM 0 HG2 LYS A 99 15.044 -7.165 2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.237 -7.944 0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.103 -8.755 1.811 1.00 0.00 H new ATOM 0 HD3 LYS A 99 17.798 -7.458 0.860 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.418 -5.879 2.843 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.886 -7.257 3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.292 -6.908 4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.989 -8.394 3.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 19.504 -7.058 2.345 1.00 0.00 H new ATOM 1546 N VAL A 100 13.673 -6.086 -2.477 1.00 0.00 N ATOM 1547 CA VAL A 100 13.676 -6.808 -3.781 1.00 0.00 C ATOM 1548 C VAL A 100 13.495 -8.310 -3.550 1.00 0.00 C ATOM 1549 O VAL A 100 14.346 -8.968 -2.983 1.00 0.00 O ATOM 1550 CB VAL A 100 15.045 -6.519 -4.394 1.00 0.00 C ATOM 1551 CG1 VAL A 100 15.077 -7.026 -5.836 1.00 0.00 C ATOM 1552 CG2 VAL A 100 15.300 -5.011 -4.379 1.00 0.00 C ATOM 0 H VAL A 100 12.944 -5.381 -2.373 1.00 0.00 H new ATOM 0 HA VAL A 100 12.865 -6.486 -4.434 1.00 0.00 H new ATOM 0 HB VAL A 100 15.817 -7.026 -3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 100 16.054 -6.819 -6.273 1.00 0.00 H new ATOM 0 HG12 VAL A 100 14.894 -8.100 -5.848 1.00 0.00 H new ATOM 0 HG13 VAL A 100 14.306 -6.520 -6.417 1.00 0.00 H new ATOM 0 HG21 VAL A 100 16.277 -4.803 -4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 100 14.528 -4.506 -4.959 1.00 0.00 H new ATOM 0 HG23 VAL A 100 15.278 -4.648 -3.351 1.00 0.00 H new ATOM 1562 N GLY A 101 12.392 -8.857 -3.982 1.00 0.00 N ATOM 1563 CA GLY A 101 12.154 -10.315 -3.786 1.00 0.00 C ATOM 1564 C GLY A 101 10.680 -10.547 -3.449 1.00 0.00 C ATOM 1565 O GLY A 101 10.165 -11.639 -3.586 1.00 0.00 O ATOM 0 H GLY A 101 11.644 -8.357 -4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.423 -10.863 -4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.786 -10.693 -2.983 1.00 0.00 H new ATOM 1569 N ASP A 102 9.997 -9.526 -3.008 1.00 0.00 N ATOM 1570 CA ASP A 102 8.555 -9.683 -2.661 1.00 0.00 C ATOM 1571 C ASP A 102 7.802 -8.381 -2.947 1.00 0.00 C ATOM 1572 O ASP A 102 8.378 -7.404 -3.380 1.00 0.00 O ATOM 1573 CB ASP A 102 8.539 -9.997 -1.164 1.00 0.00 C ATOM 1574 CG ASP A 102 9.148 -11.380 -0.925 1.00 0.00 C ATOM 1575 OD1 ASP A 102 8.608 -12.341 -1.447 1.00 0.00 O ATOM 1576 OD2 ASP A 102 10.144 -11.454 -0.225 1.00 0.00 O ATOM 0 H ASP A 102 10.375 -8.589 -2.873 1.00 0.00 H new ATOM 0 HA ASP A 102 8.070 -10.466 -3.244 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.102 -9.241 -0.617 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.517 -9.968 -0.787 1.00 0.00 H new ATOM 1581 N ILE A 103 6.519 -8.359 -2.709 1.00 0.00 N ATOM 1582 CA ILE A 103 5.736 -7.112 -2.972 1.00 0.00 C ATOM 1583 C ILE A 103 5.015 -6.671 -1.695 1.00 0.00 C ATOM 1584 O ILE A 103 4.116 -5.855 -1.730 1.00 0.00 O ATOM 1585 CB ILE A 103 4.705 -7.458 -4.064 1.00 0.00 C ATOM 1586 CG1 ILE A 103 5.110 -8.729 -4.826 1.00 0.00 C ATOM 1587 CG2 ILE A 103 4.614 -6.297 -5.055 1.00 0.00 C ATOM 1588 CD1 ILE A 103 4.075 -9.022 -5.917 1.00 0.00 C ATOM 0 H ILE A 103 5.979 -9.144 -2.346 1.00 0.00 H new ATOM 0 HA ILE A 103 6.387 -6.298 -3.290 1.00 0.00 H new ATOM 0 HB ILE A 103 3.742 -7.631 -3.584 1.00 0.00 H new ATOM 0 HG12 ILE A 103 6.097 -8.600 -5.271 1.00 0.00 H new ATOM 0 HG13 ILE A 103 5.178 -9.572 -4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.886 -6.536 -5.830 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.302 -5.394 -4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.590 -6.132 -5.512 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.362 -9.924 -6.458 1.00 0.00 H new ATOM 0 HD12 ILE A 103 3.096 -9.169 -5.460 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.029 -8.182 -6.610 1.00 0.00 H new ATOM 1600 N SER A 104 5.397 -7.209 -0.567 1.00 0.00 N ATOM 1601 CA SER A 104 4.725 -6.823 0.708 1.00 0.00 C ATOM 1602 C SER A 104 3.283 -7.334 0.708 1.00 0.00 C ATOM 1603 O SER A 104 2.888 -8.118 1.548 1.00 0.00 O ATOM 1604 CB SER A 104 4.760 -5.293 0.732 1.00 0.00 C ATOM 1605 OG SER A 104 3.437 -4.787 0.603 1.00 0.00 O ATOM 0 H SER A 104 6.144 -7.898 -0.474 1.00 0.00 H new ATOM 0 HA SER A 104 5.215 -7.248 1.584 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.205 -4.943 1.663 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.384 -4.920 -0.080 1.00 0.00 H new ATOM 0 HG SER A 104 3.449 -3.812 0.699 1.00 0.00 H new ATOM 1611 N ASP A 105 2.502 -6.898 -0.239 1.00 0.00 N ATOM 1612 CA ASP A 105 1.084 -7.354 -0.321 1.00 0.00 C ATOM 1613 C ASP A 105 0.312 -6.963 0.943 1.00 0.00 C ATOM 1614 O ASP A 105 -0.414 -5.992 0.955 1.00 0.00 O ATOM 1615 CB ASP A 105 1.168 -8.873 -0.473 1.00 0.00 C ATOM 1616 CG ASP A 105 2.066 -9.209 -1.665 1.00 0.00 C ATOM 1617 OD1 ASP A 105 1.562 -9.223 -2.776 1.00 0.00 O ATOM 1618 OD2 ASP A 105 3.243 -9.446 -1.447 1.00 0.00 O ATOM 0 H ASP A 105 2.785 -6.241 -0.966 1.00 0.00 H new ATOM 0 HA ASP A 105 0.550 -6.893 -1.152 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.568 -9.320 0.437 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.173 -9.291 -0.623 1.00 0.00 H new ATOM 1623 N ILE A 106 0.451 -7.708 2.004 1.00 0.00 N ATOM 1624 CA ILE A 106 -0.291 -7.360 3.255 1.00 0.00 C ATOM 1625 C ILE A 106 0.493 -6.331 4.080 1.00 0.00 C ATOM 1626 O ILE A 106 1.487 -6.644 4.704 1.00 0.00 O ATOM 1627 CB ILE A 106 -0.454 -8.675 4.028 1.00 0.00 C ATOM 1628 CG1 ILE A 106 0.924 -9.256 4.383 1.00 0.00 C ATOM 1629 CG2 ILE A 106 -1.236 -9.675 3.168 1.00 0.00 C ATOM 1630 CD1 ILE A 106 0.774 -10.721 4.802 1.00 0.00 C ATOM 0 H ILE A 106 1.041 -8.538 2.063 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.259 -6.910 3.035 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.000 -8.483 4.952 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.593 -9.180 3.526 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.375 -8.681 5.192 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.354 -10.611 3.714 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.219 -9.265 2.936 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.692 -9.862 2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.753 -11.130 5.053 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.120 -10.786 5.672 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.342 -11.292 3.980 1.00 0.00 H new ATOM 1642 N VAL A 107 0.040 -5.102 4.086 1.00 0.00 N ATOM 1643 CA VAL A 107 0.740 -4.037 4.867 1.00 0.00 C ATOM 1644 C VAL A 107 -0.286 -3.199 5.638 1.00 0.00 C ATOM 1645 O VAL A 107 -0.390 -2.002 5.456 1.00 0.00 O ATOM 1646 CB VAL A 107 1.453 -3.180 3.817 1.00 0.00 C ATOM 1647 CG1 VAL A 107 1.975 -1.897 4.459 1.00 0.00 C ATOM 1648 CG2 VAL A 107 2.624 -3.967 3.227 1.00 0.00 C ATOM 0 H VAL A 107 -0.789 -4.789 3.581 1.00 0.00 H new ATOM 0 HA VAL A 107 1.437 -4.446 5.598 1.00 0.00 H new ATOM 0 HB VAL A 107 0.748 -2.923 3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.481 -1.293 3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.141 -1.333 4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.677 -2.148 5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.132 -3.358 2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.325 -4.227 4.021 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.251 -4.878 2.760 1.00 0.00 H new ATOM 1658 N ASP A 108 -1.052 -3.822 6.493 1.00 0.00 N ATOM 1659 CA ASP A 108 -2.078 -3.067 7.273 1.00 0.00 C ATOM 1660 C ASP A 108 -1.480 -1.781 7.849 1.00 0.00 C ATOM 1661 O ASP A 108 -0.657 -1.812 8.742 1.00 0.00 O ATOM 1662 CB ASP A 108 -2.506 -4.019 8.390 1.00 0.00 C ATOM 1663 CG ASP A 108 -1.274 -4.695 8.993 1.00 0.00 C ATOM 1664 OD1 ASP A 108 -0.189 -4.167 8.820 1.00 0.00 O ATOM 1665 OD2 ASP A 108 -1.437 -5.730 9.619 1.00 0.00 O ATOM 0 H ASP A 108 -1.012 -4.823 6.686 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.922 -2.762 6.654 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -3.045 -3.470 9.162 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -3.190 -4.772 7.997 1.00 0.00 H new ATOM 1670 N THR A 109 -1.892 -0.648 7.343 1.00 0.00 N ATOM 1671 CA THR A 109 -1.354 0.645 7.857 1.00 0.00 C ATOM 1672 C THR A 109 -2.412 1.742 7.710 1.00 0.00 C ATOM 1673 O THR A 109 -3.590 1.464 7.604 1.00 0.00 O ATOM 1674 CB THR A 109 -0.139 0.943 6.976 1.00 0.00 C ATOM 1675 OG1 THR A 109 -0.470 0.696 5.617 1.00 0.00 O ATOM 1676 CG2 THR A 109 1.027 0.045 7.391 1.00 0.00 C ATOM 0 H THR A 109 -2.579 -0.563 6.594 1.00 0.00 H new ATOM 0 HA THR A 109 -1.086 0.599 8.913 1.00 0.00 H new ATOM 0 HB THR A 109 0.150 1.987 7.096 1.00 0.00 H new ATOM 0 HG1 THR A 109 -0.530 -0.270 5.465 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.892 0.258 6.763 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.280 0.236 8.434 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.741 -1.000 7.273 1.00 0.00 H new ATOM 1684 N ASP A 110 -2.005 2.985 7.701 1.00 0.00 N ATOM 1685 CA ASP A 110 -2.994 4.093 7.557 1.00 0.00 C ATOM 1686 C ASP A 110 -4.046 3.719 6.510 1.00 0.00 C ATOM 1687 O ASP A 110 -3.767 3.001 5.573 1.00 0.00 O ATOM 1688 CB ASP A 110 -2.173 5.297 7.091 1.00 0.00 C ATOM 1689 CG ASP A 110 -2.353 6.452 8.078 1.00 0.00 C ATOM 1690 OD1 ASP A 110 -3.381 6.492 8.732 1.00 0.00 O ATOM 1691 OD2 ASP A 110 -1.458 7.277 8.162 1.00 0.00 O ATOM 0 H ASP A 110 -1.032 3.280 7.787 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.527 4.301 8.485 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.120 5.026 7.020 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.491 5.604 6.095 1.00 0.00 H new ATOM 1696 N SER A 111 -5.252 4.193 6.663 1.00 0.00 N ATOM 1697 CA SER A 111 -6.322 3.859 5.676 1.00 0.00 C ATOM 1698 C SER A 111 -6.714 2.383 5.787 1.00 0.00 C ATOM 1699 O SER A 111 -7.861 2.051 6.012 1.00 0.00 O ATOM 1700 CB SER A 111 -5.717 4.149 4.302 1.00 0.00 C ATOM 1701 OG SER A 111 -4.944 5.340 4.370 1.00 0.00 O ATOM 0 H SER A 111 -5.545 4.798 7.430 1.00 0.00 H new ATOM 0 HA SER A 111 -7.227 4.441 5.851 1.00 0.00 H new ATOM 0 HB2 SER A 111 -5.092 3.314 3.984 1.00 0.00 H new ATOM 0 HB3 SER A 111 -6.508 4.257 3.559 1.00 0.00 H new ATOM 0 HG SER A 111 -4.336 5.380 3.602 1.00 0.00 H new ATOM 1707 N GLY A 112 -5.774 1.496 5.630 1.00 0.00 N ATOM 1708 CA GLY A 112 -6.096 0.042 5.724 1.00 0.00 C ATOM 1709 C GLY A 112 -4.864 -0.780 5.340 1.00 0.00 C ATOM 1710 O GLY A 112 -3.751 -0.445 5.692 1.00 0.00 O ATOM 0 H GLY A 112 -4.795 1.712 5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.411 -0.207 6.738 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.928 -0.200 5.063 1.00 0.00 H new ATOM 1714 N VAL A 113 -5.052 -1.852 4.617 1.00 0.00 N ATOM 1715 CA VAL A 113 -3.885 -2.686 4.210 1.00 0.00 C ATOM 1716 C VAL A 113 -3.440 -2.304 2.800 1.00 0.00 C ATOM 1717 O VAL A 113 -4.245 -2.067 1.921 1.00 0.00 O ATOM 1718 CB VAL A 113 -4.379 -4.132 4.258 1.00 0.00 C ATOM 1719 CG1 VAL A 113 -4.779 -4.491 5.690 1.00 0.00 C ATOM 1720 CG2 VAL A 113 -5.592 -4.288 3.345 1.00 0.00 C ATOM 0 H VAL A 113 -5.960 -2.185 4.292 1.00 0.00 H new ATOM 0 HA VAL A 113 -3.025 -2.542 4.864 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.581 -4.795 3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.131 -5.522 5.722 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.916 -4.382 6.347 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.575 -3.825 6.023 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.943 -5.319 3.380 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.387 -3.622 3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.313 -4.034 2.322 1.00 0.00 H new ATOM 1730 N HIS A 114 -2.157 -2.226 2.588 1.00 0.00 N ATOM 1731 CA HIS A 114 -1.642 -1.840 1.247 1.00 0.00 C ATOM 1732 C HIS A 114 -0.554 -2.818 0.800 1.00 0.00 C ATOM 1733 O HIS A 114 -0.228 -3.759 1.490 1.00 0.00 O ATOM 1734 CB HIS A 114 -1.029 -0.448 1.445 1.00 0.00 C ATOM 1735 CG HIS A 114 -1.925 0.414 2.294 1.00 0.00 C ATOM 1736 ND1 HIS A 114 -2.320 1.682 1.897 1.00 0.00 N ATOM 1737 CD2 HIS A 114 -2.478 0.222 3.536 1.00 0.00 C ATOM 1738 CE1 HIS A 114 -3.074 2.199 2.884 1.00 0.00 C ATOM 1739 NE2 HIS A 114 -3.203 1.349 3.906 1.00 0.00 N ATOM 0 H HIS A 114 -1.440 -2.414 3.289 1.00 0.00 H new ATOM 0 HA HIS A 114 -2.426 -1.849 0.490 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -0.051 -0.540 1.917 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -0.872 0.026 0.476 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -2.082 2.140 1.017 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.367 -0.670 4.135 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -3.521 3.182 2.854 1.00 0.00 H new ATOM 1747 N ILE A 115 0.028 -2.581 -0.341 1.00 0.00 N ATOM 1748 CA ILE A 115 1.126 -3.465 -0.824 1.00 0.00 C ATOM 1749 C ILE A 115 2.306 -2.573 -1.209 1.00 0.00 C ATOM 1750 O ILE A 115 2.155 -1.373 -1.323 1.00 0.00 O ATOM 1751 CB ILE A 115 0.575 -4.211 -2.047 1.00 0.00 C ATOM 1752 CG1 ILE A 115 0.561 -3.280 -3.261 1.00 0.00 C ATOM 1753 CG2 ILE A 115 -0.849 -4.696 -1.766 1.00 0.00 C ATOM 1754 CD1 ILE A 115 0.095 -4.060 -4.493 1.00 0.00 C ATOM 0 H ILE A 115 -0.210 -1.809 -0.964 1.00 0.00 H new ATOM 0 HA ILE A 115 1.461 -4.181 -0.073 1.00 0.00 H new ATOM 0 HB ILE A 115 1.215 -5.069 -2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.104 -2.436 -3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.557 -2.871 -3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -1.232 -5.224 -2.639 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -0.842 -5.369 -0.909 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -1.489 -3.840 -1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 115 0.084 -3.399 -5.360 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.777 -4.890 -4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -0.909 -4.448 -4.320 1.00 0.00 H new ATOM 1766 N ILE A 116 3.473 -3.120 -1.403 1.00 0.00 N ATOM 1767 CA ILE A 116 4.620 -2.242 -1.768 1.00 0.00 C ATOM 1768 C ILE A 116 5.590 -2.953 -2.720 1.00 0.00 C ATOM 1769 O ILE A 116 5.673 -4.164 -2.763 1.00 0.00 O ATOM 1770 CB ILE A 116 5.297 -1.900 -0.434 1.00 0.00 C ATOM 1771 CG1 ILE A 116 4.572 -0.717 0.215 1.00 0.00 C ATOM 1772 CG2 ILE A 116 6.761 -1.516 -0.671 1.00 0.00 C ATOM 1773 CD1 ILE A 116 3.991 -1.146 1.563 1.00 0.00 C ATOM 0 H ILE A 116 3.681 -4.116 -1.327 1.00 0.00 H new ATOM 0 HA ILE A 116 4.293 -1.348 -2.300 1.00 0.00 H new ATOM 0 HB ILE A 116 5.252 -2.771 0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.264 0.114 0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.775 -0.363 -0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.233 -1.275 0.282 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.286 -2.351 -1.135 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.808 -0.648 -1.329 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.476 -0.302 2.022 1.00 0.00 H new ATOM 0 HD12 ILE A 116 3.286 -1.963 1.412 1.00 0.00 H new ATOM 0 HD13 ILE A 116 4.797 -1.479 2.217 1.00 0.00 H new ATOM 1785 N LYS A 117 6.327 -2.185 -3.478 1.00 0.00 N ATOM 1786 CA LYS A 117 7.309 -2.767 -4.437 1.00 0.00 C ATOM 1787 C LYS A 117 8.654 -2.049 -4.277 1.00 0.00 C ATOM 1788 O LYS A 117 8.715 -0.836 -4.251 1.00 0.00 O ATOM 1789 CB LYS A 117 6.714 -2.494 -5.820 1.00 0.00 C ATOM 1790 CG LYS A 117 7.058 -3.645 -6.768 1.00 0.00 C ATOM 1791 CD LYS A 117 5.855 -3.942 -7.666 1.00 0.00 C ATOM 1792 CE LYS A 117 6.121 -3.413 -9.078 1.00 0.00 C ATOM 1793 NZ LYS A 117 6.049 -4.614 -9.956 1.00 0.00 N ATOM 0 H LYS A 117 6.289 -1.166 -3.473 1.00 0.00 H new ATOM 0 HA LYS A 117 7.484 -3.831 -4.277 1.00 0.00 H new ATOM 0 HB2 LYS A 117 5.632 -2.383 -5.745 1.00 0.00 H new ATOM 0 HB3 LYS A 117 7.104 -1.556 -6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 117 7.924 -3.383 -7.376 1.00 0.00 H new ATOM 0 HG3 LYS A 117 7.327 -4.533 -6.196 1.00 0.00 H new ATOM 0 HD2 LYS A 117 5.670 -5.016 -7.699 1.00 0.00 H new ATOM 0 HD3 LYS A 117 4.959 -3.476 -7.256 1.00 0.00 H new ATOM 0 HE2 LYS A 117 5.380 -2.667 -9.367 1.00 0.00 H new ATOM 0 HE3 LYS A 117 7.098 -2.934 -9.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.221 -4.334 -10.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 6.770 -5.303 -9.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 5.106 -5.045 -9.878 1.00 0.00 H new ATOM 1807 N ARG A 118 9.730 -2.778 -4.158 1.00 0.00 N ATOM 1808 CA ARG A 118 11.055 -2.112 -3.988 1.00 0.00 C ATOM 1809 C ARG A 118 11.810 -2.050 -5.320 1.00 0.00 C ATOM 1810 O ARG A 118 11.726 -1.078 -6.044 1.00 0.00 O ATOM 1811 CB ARG A 118 11.808 -2.977 -2.976 1.00 0.00 C ATOM 1812 CG ARG A 118 11.885 -2.240 -1.637 1.00 0.00 C ATOM 1813 CD ARG A 118 12.737 -0.977 -1.796 1.00 0.00 C ATOM 1814 NE ARG A 118 13.178 -0.636 -0.414 1.00 0.00 N ATOM 1815 CZ ARG A 118 13.820 0.479 -0.189 1.00 0.00 C ATOM 1816 NH1 ARG A 118 14.317 1.159 -1.186 1.00 0.00 N ATOM 1817 NH2 ARG A 118 13.963 0.914 1.034 1.00 0.00 N ATOM 0 H ARG A 118 9.751 -3.798 -4.171 1.00 0.00 H new ATOM 0 HA ARG A 118 10.952 -1.082 -3.647 1.00 0.00 H new ATOM 0 HB2 ARG A 118 11.300 -3.933 -2.849 1.00 0.00 H new ATOM 0 HB3 ARG A 118 12.811 -3.195 -3.342 1.00 0.00 H new ATOM 0 HG2 ARG A 118 10.884 -1.975 -1.298 1.00 0.00 H new ATOM 0 HG3 ARG A 118 12.318 -2.890 -0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 118 13.590 -1.156 -2.450 1.00 0.00 H new ATOM 0 HD3 ARG A 118 12.161 -0.165 -2.239 1.00 0.00 H new ATOM 0 HE ARG A 118 12.978 -1.274 0.357 1.00 0.00 H new ATOM 0 HH11 ARG A 118 14.204 0.820 -2.141 1.00 0.00 H new ATOM 0 HH12 ARG A 118 14.818 2.030 -1.010 1.00 0.00 H new ATOM 0 HH21 ARG A 118 13.573 0.383 1.813 1.00 0.00 H new ATOM 0 HH22 ARG A 118 14.464 1.785 1.210 1.00 0.00 H new ATOM 1831 N THR A 119 12.552 -3.073 -5.646 1.00 0.00 N ATOM 1832 CA THR A 119 13.314 -3.060 -6.929 1.00 0.00 C ATOM 1833 C THR A 119 13.126 -4.384 -7.673 1.00 0.00 C ATOM 1834 O THR A 119 13.681 -4.596 -8.733 1.00 0.00 O ATOM 1835 CB THR A 119 14.777 -2.878 -6.518 1.00 0.00 C ATOM 1836 OG1 THR A 119 14.835 -2.302 -5.220 1.00 0.00 O ATOM 1837 CG2 THR A 119 15.481 -1.959 -7.519 1.00 0.00 C ATOM 0 H THR A 119 12.664 -3.915 -5.082 1.00 0.00 H new ATOM 0 HA THR A 119 12.977 -2.270 -7.601 1.00 0.00 H new ATOM 0 HB THR A 119 15.275 -3.848 -6.508 1.00 0.00 H new ATOM 0 HG1 THR A 119 15.771 -2.187 -4.955 1.00 0.00 H new ATOM 0 HG21 THR A 119 16.523 -1.831 -7.225 1.00 0.00 H new ATOM 0 HG22 THR A 119 15.437 -2.403 -8.514 1.00 0.00 H new ATOM 0 HG23 THR A 119 14.985 -0.988 -7.533 1.00 0.00 H new ATOM 1845 N ALA A 120 12.348 -5.275 -7.128 1.00 0.00 N ATOM 1846 CA ALA A 120 12.126 -6.583 -7.805 1.00 0.00 C ATOM 1847 C ALA A 120 11.232 -6.396 -9.035 1.00 0.00 C ATOM 1848 O ALA A 120 10.535 -5.397 -9.090 1.00 0.00 O ATOM 1849 CB ALA A 120 11.429 -7.453 -6.760 1.00 0.00 C ATOM 1850 OXT ALA A 120 11.261 -7.256 -9.900 1.00 0.00 O ATOM 0 H ALA A 120 11.856 -5.155 -6.243 1.00 0.00 H new ATOM 0 HA ALA A 120 13.055 -7.033 -8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 120 11.229 -8.438 -7.181 1.00 0.00 H new ATOM 0 HB2 ALA A 120 12.071 -7.556 -5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.489 -6.986 -6.467 1.00 0.00 H new