USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 826 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 42 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 43 ASN : amide:sc= -1.43! K(o=-1.4!,f=0.26) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -6.32! C(o=-6.3!,f=-13!) USER MOD Single : A 16 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.0779) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -179:sc= -0.0175 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot -115:sc= 0.213 USER MOD Single : A 44 ASN : amide:sc= -0.0677 X(o=-0.068,f=-0.035) USER MOD Single : A 45 GLN : amide:sc= -2.63! K(o=-2.6!,f=-1.3) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 87:sc= 0.419 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.685 X(o=-0.69,f=-0.29) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0.116 K(o=0.12,f=-1.1) USER MOD Single : A 70 THR OG1 : rot 39:sc= 0.428 USER MOD Single : A 83 THR OG1 : rot 70:sc= 0.447 USER MOD Single : A 85 MET CE :methyl -129:sc= -1.72 (180deg=-4.09!) USER MOD Single : A 88 GLN : amide:sc= -0.0803 X(o=-0.08,f=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.6) USER MOD Single : A 101 LYS NZ :NH3+ 146:sc= -0.346 (180deg=-1.62!) USER MOD Single : A 103 THR OG1 : rot 180:sc=-0.00774 USER MOD Single : A 114 GLN : amide:sc= -0.649 X(o=-0.65,f=-0.82) USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-2.4!) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= -0.181 (180deg=-0.181) USER MOD Single : A 127 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.618) USER MOD Single : A 130 TYR OH : rot -130:sc= -1.11 USER MOD ----------------------------------------------------------------- ATOM 144 N LYS A 13 -7.425 -9.175 2.266 1.00 0.00 N ATOM 145 CA LYS A 13 -6.467 -10.274 2.277 1.00 0.00 C ATOM 146 C LYS A 13 -5.064 -9.776 1.946 1.00 0.00 C ATOM 147 O LYS A 13 -4.071 -10.399 2.321 1.00 0.00 O ATOM 148 CB LYS A 13 -6.886 -11.353 1.276 1.00 0.00 C ATOM 149 CG LYS A 13 -8.112 -12.139 1.707 1.00 0.00 C ATOM 150 CD LYS A 13 -7.743 -13.287 2.632 1.00 0.00 C ATOM 151 CE LYS A 13 -7.206 -14.479 1.854 1.00 0.00 C ATOM 152 NZ LYS A 13 -8.303 -15.350 1.348 1.00 0.00 N ATOM 0 HA LYS A 13 -6.455 -10.702 3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.085 -10.885 0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.055 -12.043 1.129 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.812 -11.474 2.213 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.623 -12.530 0.827 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.994 -12.952 3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.619 -13.590 3.205 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.607 -14.125 1.015 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.545 -15.063 2.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.897 -16.151 0.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.860 -15.708 2.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.920 -14.800 0.717 1.00 0.00 H new ATOM 166 N GLN A 14 -4.990 -8.650 1.244 1.00 0.00 N ATOM 167 CA GLN A 14 -3.708 -8.069 0.864 1.00 0.00 C ATOM 168 C GLN A 14 -3.199 -7.120 1.944 1.00 0.00 C ATOM 169 O GLN A 14 -2.005 -7.087 2.245 1.00 0.00 O ATOM 170 CB GLN A 14 -3.835 -7.326 -0.466 1.00 0.00 C ATOM 171 CG GLN A 14 -4.726 -6.096 -0.394 1.00 0.00 C ATOM 172 CD GLN A 14 -4.034 -4.911 0.249 1.00 0.00 C ATOM 173 OE1 GLN A 14 -2.805 -4.841 0.289 1.00 0.00 O ATOM 174 NE2 GLN A 14 -4.821 -3.969 0.757 1.00 0.00 N ATOM 0 H GLN A 14 -5.803 -8.122 0.927 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.989 -8.881 0.751 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.842 -7.026 -0.801 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.232 -8.009 -1.217 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.045 -5.824 -1.400 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.626 -6.337 0.171 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.835 -4.067 0.702 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -4.411 -3.148 1.202 1.00 0.00 H new ATOM 183 N LEU A 15 -4.112 -6.348 2.524 1.00 0.00 N ATOM 184 CA LEU A 15 -3.756 -5.397 3.571 1.00 0.00 C ATOM 185 C LEU A 15 -3.276 -6.121 4.825 1.00 0.00 C ATOM 186 O LEU A 15 -2.285 -5.728 5.441 1.00 0.00 O ATOM 187 CB LEU A 15 -4.954 -4.508 3.910 1.00 0.00 C ATOM 188 CG LEU A 15 -5.891 -5.031 4.999 1.00 0.00 C ATOM 189 CD1 LEU A 15 -5.242 -4.901 6.368 1.00 0.00 C ATOM 190 CD2 LEU A 15 -7.218 -4.288 4.963 1.00 0.00 C ATOM 0 H LEU A 15 -5.104 -6.362 2.287 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.942 -4.774 3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.581 -3.531 4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.536 -4.354 3.001 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.084 -6.087 4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.923 -5.278 7.131 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.318 -5.479 6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.019 -3.853 6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.872 -4.674 5.745 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.044 -3.225 5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.690 -4.433 3.991 1.00 0.00 H new ATOM 202 N LYS A 16 -3.983 -7.183 5.196 1.00 0.00 N ATOM 203 CA LYS A 16 -3.628 -7.965 6.374 1.00 0.00 C ATOM 204 C LYS A 16 -2.175 -8.424 6.305 1.00 0.00 C ATOM 205 O LYS A 16 -1.500 -8.538 7.328 1.00 0.00 O ATOM 206 CB LYS A 16 -4.552 -9.179 6.502 1.00 0.00 C ATOM 207 CG LYS A 16 -4.233 -10.292 5.519 1.00 0.00 C ATOM 208 CD LYS A 16 -5.082 -11.526 5.780 1.00 0.00 C ATOM 209 CE LYS A 16 -4.726 -12.658 4.829 1.00 0.00 C ATOM 210 NZ LYS A 16 -3.378 -13.222 5.118 1.00 0.00 N ATOM 0 H LYS A 16 -4.806 -7.522 4.697 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.748 -7.330 7.251 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.484 -9.571 7.517 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.583 -8.858 6.353 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.404 -9.940 4.502 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.177 -10.553 5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.940 -11.856 6.809 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.137 -11.274 5.669 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.474 -13.447 4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.754 -12.292 3.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.791 -13.174 4.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.927 -12.673 5.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.473 -14.213 5.418 1.00 0.00 H new ATOM 224 N VAL A 17 -1.699 -8.685 5.091 1.00 0.00 N ATOM 225 CA VAL A 17 -0.325 -9.129 4.889 1.00 0.00 C ATOM 226 C VAL A 17 0.656 -7.972 5.049 1.00 0.00 C ATOM 227 O VAL A 17 1.729 -8.130 5.633 1.00 0.00 O ATOM 228 CB VAL A 17 -0.137 -9.756 3.495 1.00 0.00 C ATOM 229 CG1 VAL A 17 1.311 -10.172 3.286 1.00 0.00 C ATOM 230 CG2 VAL A 17 -1.073 -10.942 3.315 1.00 0.00 C ATOM 0 H VAL A 17 -2.244 -8.597 4.234 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.121 -9.883 5.650 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.386 -9.008 2.743 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.424 -10.613 2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.956 -9.298 3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.592 -10.904 4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.927 -11.373 2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.857 -11.694 4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.106 -10.609 3.417 1.00 0.00 H new ATOM 240 N LEU A 18 0.280 -6.809 4.529 1.00 0.00 N ATOM 241 CA LEU A 18 1.126 -5.623 4.615 1.00 0.00 C ATOM 242 C LEU A 18 1.368 -5.231 6.069 1.00 0.00 C ATOM 243 O LEU A 18 2.510 -5.185 6.529 1.00 0.00 O ATOM 244 CB LEU A 18 0.482 -4.458 3.861 1.00 0.00 C ATOM 245 CG LEU A 18 0.693 -4.441 2.347 1.00 0.00 C ATOM 246 CD1 LEU A 18 -0.281 -3.479 1.684 1.00 0.00 C ATOM 247 CD2 LEU A 18 2.129 -4.064 2.012 1.00 0.00 C ATOM 0 H LEU A 18 -0.605 -6.661 4.043 1.00 0.00 H new ATOM 0 HA LEU A 18 2.087 -5.858 4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.590 -4.472 4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.870 -3.526 4.272 1.00 0.00 H new ATOM 0 HG LEU A 18 0.503 -5.443 1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.116 -3.480 0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.303 -3.793 1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.122 -2.474 2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.260 -4.057 0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.347 -3.073 2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.809 -4.791 2.455 1.00 0.00 H new ATOM 259 N LEU A 19 0.287 -4.953 6.789 1.00 0.00 N ATOM 260 CA LEU A 19 0.381 -4.567 8.193 1.00 0.00 C ATOM 261 C LEU A 19 1.286 -5.525 8.961 1.00 0.00 C ATOM 262 O LEU A 19 2.304 -5.119 9.520 1.00 0.00 O ATOM 263 CB LEU A 19 -1.009 -4.539 8.829 1.00 0.00 C ATOM 264 CG LEU A 19 -1.987 -3.509 8.261 1.00 0.00 C ATOM 265 CD1 LEU A 19 -3.342 -3.629 8.941 1.00 0.00 C ATOM 266 CD2 LEU A 19 -1.431 -2.102 8.420 1.00 0.00 C ATOM 0 H LEU A 19 -0.665 -4.988 6.424 1.00 0.00 H new ATOM 0 HA LEU A 19 0.815 -3.568 8.242 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.454 -5.529 8.725 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.894 -4.351 9.897 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.118 -3.708 7.197 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.025 -2.889 8.524 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.745 -4.628 8.775 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.229 -3.456 10.011 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.140 -1.382 8.011 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.270 -1.892 9.477 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.484 -2.023 7.886 1.00 0.00 H new ATOM 278 N SER A 20 0.907 -6.799 8.983 1.00 0.00 N ATOM 279 CA SER A 20 1.683 -7.816 9.684 1.00 0.00 C ATOM 280 C SER A 20 3.176 -7.514 9.598 1.00 0.00 C ATOM 281 O SER A 20 3.905 -7.645 10.581 1.00 0.00 O ATOM 282 CB SER A 20 1.396 -9.200 9.099 1.00 0.00 C ATOM 283 OG SER A 20 1.781 -10.224 10.000 1.00 0.00 O ATOM 0 H SER A 20 0.067 -7.152 8.524 1.00 0.00 H new ATOM 0 HA SER A 20 1.387 -7.805 10.733 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.333 -9.290 8.874 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.932 -9.319 8.158 1.00 0.00 H new ATOM 0 HG SER A 20 1.586 -11.099 9.604 1.00 0.00 H new ATOM 289 N GLY A 21 3.625 -7.110 8.413 1.00 0.00 N ATOM 290 CA GLY A 21 5.028 -6.797 8.219 1.00 0.00 C ATOM 291 C GLY A 21 5.868 -8.032 7.963 1.00 0.00 C ATOM 292 O GLY A 21 5.685 -9.061 8.612 1.00 0.00 O ATOM 0 H GLY A 21 3.042 -6.994 7.584 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.131 -6.111 7.378 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.407 -6.280 9.101 1.00 0.00 H new ATOM 296 N ALA A 22 6.791 -7.931 7.012 1.00 0.00 N ATOM 297 CA ALA A 22 7.663 -9.049 6.672 1.00 0.00 C ATOM 298 C ALA A 22 9.111 -8.593 6.528 1.00 0.00 C ATOM 299 O ALA A 22 9.404 -7.398 6.576 1.00 0.00 O ATOM 300 CB ALA A 22 7.188 -9.716 5.389 1.00 0.00 C ATOM 0 H ALA A 22 6.954 -7.087 6.463 1.00 0.00 H new ATOM 0 HA ALA A 22 7.617 -9.774 7.485 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.848 -10.549 5.146 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.172 -10.086 5.526 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.204 -8.991 4.575 1.00 0.00 H new ATOM 306 N THR A 23 10.014 -9.552 6.353 1.00 0.00 N ATOM 307 CA THR A 23 11.432 -9.249 6.205 1.00 0.00 C ATOM 308 C THR A 23 11.788 -8.986 4.747 1.00 0.00 C ATOM 309 O THR A 23 11.193 -9.564 3.837 1.00 0.00 O ATOM 310 CB THR A 23 12.311 -10.397 6.737 1.00 0.00 C ATOM 311 OG1 THR A 23 11.823 -10.839 8.009 1.00 0.00 O ATOM 312 CG2 THR A 23 13.759 -9.953 6.870 1.00 0.00 C ATOM 0 H THR A 23 9.789 -10.546 6.310 1.00 0.00 H new ATOM 0 HA THR A 23 11.626 -8.351 6.792 1.00 0.00 H new ATOM 0 HB THR A 23 12.264 -11.221 6.025 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.386 -11.570 8.339 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.360 -10.780 7.247 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.136 -9.646 5.895 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.820 -9.114 7.564 1.00 0.00 H new ATOM 320 N PHE A 24 12.763 -8.109 4.530 1.00 0.00 N ATOM 321 CA PHE A 24 13.199 -7.768 3.181 1.00 0.00 C ATOM 322 C PHE A 24 14.639 -7.263 3.185 1.00 0.00 C ATOM 323 O PHE A 24 15.134 -6.775 4.202 1.00 0.00 O ATOM 324 CB PHE A 24 12.276 -6.708 2.576 1.00 0.00 C ATOM 325 CG PHE A 24 10.817 -6.993 2.786 1.00 0.00 C ATOM 326 CD1 PHE A 24 10.133 -7.843 1.931 1.00 0.00 C ATOM 327 CD2 PHE A 24 10.128 -6.413 3.839 1.00 0.00 C ATOM 328 CE1 PHE A 24 8.790 -8.107 2.122 1.00 0.00 C ATOM 329 CE2 PHE A 24 8.785 -6.674 4.035 1.00 0.00 C ATOM 330 CZ PHE A 24 8.115 -7.522 3.176 1.00 0.00 C ATOM 0 H PHE A 24 13.266 -7.622 5.271 1.00 0.00 H new ATOM 0 HA PHE A 24 13.152 -8.671 2.572 1.00 0.00 H new ATOM 0 HB2 PHE A 24 12.515 -5.738 3.012 1.00 0.00 H new ATOM 0 HB3 PHE A 24 12.473 -6.634 1.507 1.00 0.00 H new ATOM 0 HD1 PHE A 24 10.656 -8.304 1.106 1.00 0.00 H new ATOM 0 HD2 PHE A 24 10.647 -5.749 4.515 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.268 -8.770 1.448 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.260 -6.215 4.860 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.066 -7.728 3.328 1.00 0.00 H new ATOM 340 N LEU A 25 15.305 -7.383 2.043 1.00 0.00 N ATOM 341 CA LEU A 25 16.689 -6.939 1.913 1.00 0.00 C ATOM 342 C LEU A 25 16.757 -5.533 1.325 1.00 0.00 C ATOM 343 O LEU A 25 16.532 -5.337 0.131 1.00 0.00 O ATOM 344 CB LEU A 25 17.477 -7.911 1.034 1.00 0.00 C ATOM 345 CG LEU A 25 17.913 -9.216 1.700 1.00 0.00 C ATOM 346 CD1 LEU A 25 18.598 -10.127 0.692 1.00 0.00 C ATOM 347 CD2 LEU A 25 18.834 -8.933 2.878 1.00 0.00 C ATOM 0 H LEU A 25 14.910 -7.784 1.193 1.00 0.00 H new ATOM 0 HA LEU A 25 17.133 -6.918 2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.869 -8.156 0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.367 -7.399 0.668 1.00 0.00 H new ATOM 0 HG LEU A 25 17.024 -9.725 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.901 -11.051 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.907 -10.358 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 25 19.477 -9.626 0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.134 -9.874 3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.719 -8.402 2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.309 -8.320 3.611 1.00 0.00 H new ATOM 359 N VAL A 26 17.071 -4.558 2.172 1.00 0.00 N ATOM 360 CA VAL A 26 17.173 -3.170 1.736 1.00 0.00 C ATOM 361 C VAL A 26 18.609 -2.812 1.372 1.00 0.00 C ATOM 362 O VAL A 26 19.539 -3.073 2.136 1.00 0.00 O ATOM 363 CB VAL A 26 16.674 -2.201 2.824 1.00 0.00 C ATOM 364 CG1 VAL A 26 16.692 -0.769 2.314 1.00 0.00 C ATOM 365 CG2 VAL A 26 15.279 -2.594 3.287 1.00 0.00 C ATOM 0 H VAL A 26 17.259 -4.703 3.164 1.00 0.00 H new ATOM 0 HA VAL A 26 16.542 -3.069 0.853 1.00 0.00 H new ATOM 0 HB VAL A 26 17.347 -2.264 3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 26 16.336 -0.099 3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 26 17.710 -0.494 2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 26 16.043 -0.685 1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 26 14.942 -1.899 4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.592 -2.561 2.441 1.00 0.00 H new ATOM 0 HG23 VAL A 26 15.302 -3.604 3.696 1.00 0.00 H new ATOM 375 N THR A 27 18.785 -2.211 0.199 1.00 0.00 N ATOM 376 CA THR A 27 20.108 -1.817 -0.267 1.00 0.00 C ATOM 377 C THR A 27 20.168 -0.320 -0.551 1.00 0.00 C ATOM 378 O THR A 27 19.587 0.161 -1.524 1.00 0.00 O ATOM 379 CB THR A 27 20.507 -2.586 -1.541 1.00 0.00 C ATOM 380 OG1 THR A 27 19.923 -3.893 -1.527 1.00 0.00 O ATOM 381 CG2 THR A 27 22.019 -2.701 -1.653 1.00 0.00 C ATOM 0 H THR A 27 18.027 -1.987 -0.446 1.00 0.00 H new ATOM 0 HA THR A 27 20.810 -2.061 0.531 1.00 0.00 H new ATOM 0 HB THR A 27 20.137 -2.032 -2.404 1.00 0.00 H new ATOM 0 HG1 THR A 27 20.180 -4.375 -2.341 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.276 -3.248 -2.560 1.00 0.00 H new ATOM 0 HG22 THR A 27 22.458 -1.704 -1.694 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.409 -3.234 -0.786 1.00 0.00 H new ATOM 389 N PHE A 28 20.874 0.411 0.304 1.00 0.00 N ATOM 390 CA PHE A 28 21.010 1.854 0.146 1.00 0.00 C ATOM 391 C PHE A 28 22.033 2.189 -0.937 1.00 0.00 C ATOM 392 O PHE A 28 23.078 1.548 -1.037 1.00 0.00 O ATOM 393 CB PHE A 28 21.424 2.498 1.471 1.00 0.00 C ATOM 394 CG PHE A 28 20.435 2.278 2.579 1.00 0.00 C ATOM 395 CD1 PHE A 28 19.145 2.776 2.484 1.00 0.00 C ATOM 396 CD2 PHE A 28 20.794 1.572 3.716 1.00 0.00 C ATOM 397 CE1 PHE A 28 18.233 2.575 3.503 1.00 0.00 C ATOM 398 CE2 PHE A 28 19.886 1.367 4.738 1.00 0.00 C ATOM 399 CZ PHE A 28 18.604 1.869 4.631 1.00 0.00 C ATOM 0 H PHE A 28 21.361 0.028 1.114 1.00 0.00 H new ATOM 0 HA PHE A 28 20.042 2.253 -0.157 1.00 0.00 H new ATOM 0 HB2 PHE A 28 22.392 2.098 1.774 1.00 0.00 H new ATOM 0 HB3 PHE A 28 21.556 3.569 1.320 1.00 0.00 H new ATOM 0 HD1 PHE A 28 18.849 3.327 1.604 1.00 0.00 H new ATOM 0 HD2 PHE A 28 21.795 1.177 3.805 1.00 0.00 H new ATOM 0 HE1 PHE A 28 17.231 2.970 3.417 1.00 0.00 H new ATOM 0 HE2 PHE A 28 20.179 0.815 5.619 1.00 0.00 H new ATOM 0 HZ PHE A 28 17.893 1.710 5.428 1.00 0.00 H new ATOM 409 N GLY A 29 21.722 3.197 -1.745 1.00 0.00 N ATOM 410 CA GLY A 29 22.622 3.600 -2.810 1.00 0.00 C ATOM 411 C GLY A 29 24.080 3.475 -2.414 1.00 0.00 C ATOM 412 O GLY A 29 24.913 3.051 -3.214 1.00 0.00 O ATOM 0 H GLY A 29 20.862 3.742 -1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 29 22.434 2.987 -3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 29 22.411 4.633 -3.089 1.00 0.00 H new ATOM 416 N ASN A 30 24.389 3.848 -1.176 1.00 0.00 N ATOM 417 CA ASN A 30 25.758 3.778 -0.677 1.00 0.00 C ATOM 418 C ASN A 30 26.134 2.343 -0.320 1.00 0.00 C ATOM 419 O ASN A 30 27.241 1.890 -0.612 1.00 0.00 O ATOM 420 CB ASN A 30 25.922 4.680 0.549 1.00 0.00 C ATOM 421 CG ASN A 30 27.376 4.882 0.927 1.00 0.00 C ATOM 422 OD1 ASN A 30 28.068 5.721 0.351 1.00 0.00 O ATOM 423 ND2 ASN A 30 27.847 4.110 1.900 1.00 0.00 N ATOM 0 H ASN A 30 23.711 4.201 -0.501 1.00 0.00 H new ATOM 0 HA ASN A 30 26.425 4.124 -1.467 1.00 0.00 H new ATOM 0 HB2 ASN A 30 25.464 5.648 0.348 1.00 0.00 H new ATOM 0 HB3 ASN A 30 25.387 4.243 1.392 1.00 0.00 H new ATOM 0 HD21 ASN A 30 28.819 4.200 2.197 1.00 0.00 H new ATOM 0 HD22 ASN A 30 27.237 3.427 2.350 1.00 0.00 H new ATOM 430 N SER A 31 25.205 1.633 0.312 1.00 0.00 N ATOM 431 CA SER A 31 25.440 0.250 0.711 1.00 0.00 C ATOM 432 C SER A 31 25.421 -0.676 -0.501 1.00 0.00 C ATOM 433 O SER A 31 24.415 -0.775 -1.203 1.00 0.00 O ATOM 434 CB SER A 31 24.385 -0.196 1.725 1.00 0.00 C ATOM 435 OG SER A 31 24.268 0.738 2.784 1.00 0.00 O ATOM 0 H SER A 31 24.283 1.992 0.559 1.00 0.00 H new ATOM 0 HA SER A 31 26.425 0.193 1.174 1.00 0.00 H new ATOM 0 HB2 SER A 31 23.422 -0.308 1.227 1.00 0.00 H new ATOM 0 HB3 SER A 31 24.652 -1.174 2.126 1.00 0.00 H new ATOM 0 HG SER A 31 23.598 0.423 3.426 1.00 0.00 H new ATOM 441 N GLU A 32 26.540 -1.352 -0.739 1.00 0.00 N ATOM 442 CA GLU A 32 26.652 -2.270 -1.867 1.00 0.00 C ATOM 443 C GLU A 32 26.098 -3.645 -1.506 1.00 0.00 C ATOM 444 O GLU A 32 25.741 -4.433 -2.382 1.00 0.00 O ATOM 445 CB GLU A 32 28.112 -2.395 -2.307 1.00 0.00 C ATOM 446 CG GLU A 32 29.004 -3.063 -1.275 1.00 0.00 C ATOM 447 CD GLU A 32 30.386 -3.380 -1.814 1.00 0.00 C ATOM 448 OE1 GLU A 32 31.172 -2.433 -2.023 1.00 0.00 O ATOM 449 OE2 GLU A 32 30.680 -4.575 -2.028 1.00 0.00 O ATOM 0 H GLU A 32 27.381 -1.282 -0.167 1.00 0.00 H new ATOM 0 HA GLU A 32 26.065 -1.866 -2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 32 28.155 -2.965 -3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 32 28.503 -1.401 -2.524 1.00 0.00 H new ATOM 0 HG2 GLU A 32 29.098 -2.412 -0.406 1.00 0.00 H new ATOM 0 HG3 GLU A 32 28.531 -3.984 -0.934 1.00 0.00 H new ATOM 456 N LYS A 33 26.030 -3.928 -0.210 1.00 0.00 N ATOM 457 CA LYS A 33 25.520 -5.207 0.269 1.00 0.00 C ATOM 458 C LYS A 33 24.172 -5.030 0.960 1.00 0.00 C ATOM 459 O LYS A 33 23.983 -4.138 1.788 1.00 0.00 O ATOM 460 CB LYS A 33 26.519 -5.849 1.234 1.00 0.00 C ATOM 461 CG LYS A 33 25.895 -6.880 2.158 1.00 0.00 C ATOM 462 CD LYS A 33 26.891 -7.963 2.538 1.00 0.00 C ATOM 463 CE LYS A 33 26.190 -9.266 2.891 1.00 0.00 C ATOM 464 NZ LYS A 33 27.155 -10.388 3.057 1.00 0.00 N ATOM 0 H LYS A 33 26.322 -3.288 0.528 1.00 0.00 H new ATOM 0 HA LYS A 33 25.385 -5.861 -0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 33 27.314 -6.323 0.658 1.00 0.00 H new ATOM 0 HB3 LYS A 33 26.983 -5.068 1.836 1.00 0.00 H new ATOM 0 HG2 LYS A 33 25.529 -6.388 3.059 1.00 0.00 H new ATOM 0 HG3 LYS A 33 25.032 -7.333 1.670 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.580 -8.132 1.710 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.488 -7.628 3.386 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.623 -9.135 3.813 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.473 -9.516 2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 26.638 -11.258 3.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 27.678 -10.530 2.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 27.824 -10.161 3.821 1.00 0.00 H new ATOM 478 N PRO A 34 23.210 -5.899 0.615 1.00 0.00 N ATOM 479 CA PRO A 34 21.863 -5.860 1.193 1.00 0.00 C ATOM 480 C PRO A 34 21.849 -6.276 2.660 1.00 0.00 C ATOM 481 O PRO A 34 22.611 -7.149 3.074 1.00 0.00 O ATOM 482 CB PRO A 34 21.084 -6.868 0.344 1.00 0.00 C ATOM 483 CG PRO A 34 22.119 -7.808 -0.173 1.00 0.00 C ATOM 484 CD PRO A 34 23.365 -6.988 -0.364 1.00 0.00 C ATOM 0 HA PRO A 34 21.442 -4.854 1.179 1.00 0.00 H new ATOM 0 HB2 PRO A 34 20.335 -7.392 0.939 1.00 0.00 H new ATOM 0 HB3 PRO A 34 20.555 -6.374 -0.471 1.00 0.00 H new ATOM 0 HG2 PRO A 34 22.292 -8.623 0.530 1.00 0.00 H new ATOM 0 HG3 PRO A 34 21.801 -8.260 -1.113 1.00 0.00 H new ATOM 0 HD2 PRO A 34 24.265 -7.574 -0.174 1.00 0.00 H new ATOM 0 HD3 PRO A 34 23.442 -6.605 -1.382 1.00 0.00 H new ATOM 492 N GLU A 35 20.978 -5.645 3.440 1.00 0.00 N ATOM 493 CA GLU A 35 20.866 -5.951 4.862 1.00 0.00 C ATOM 494 C GLU A 35 19.433 -6.328 5.226 1.00 0.00 C ATOM 495 O GLU A 35 18.478 -5.857 4.608 1.00 0.00 O ATOM 496 CB GLU A 35 21.318 -4.754 5.701 1.00 0.00 C ATOM 497 CG GLU A 35 22.790 -4.794 6.075 1.00 0.00 C ATOM 498 CD GLU A 35 23.400 -3.411 6.198 1.00 0.00 C ATOM 499 OE1 GLU A 35 23.412 -2.677 5.187 1.00 0.00 O ATOM 500 OE2 GLU A 35 23.864 -3.063 7.303 1.00 0.00 O ATOM 0 H GLU A 35 20.340 -4.920 3.113 1.00 0.00 H new ATOM 0 HA GLU A 35 21.513 -6.801 5.076 1.00 0.00 H new ATOM 0 HB2 GLU A 35 21.117 -3.837 5.148 1.00 0.00 H new ATOM 0 HB3 GLU A 35 20.721 -4.714 6.612 1.00 0.00 H new ATOM 0 HG2 GLU A 35 22.906 -5.323 7.021 1.00 0.00 H new ATOM 0 HG3 GLU A 35 23.337 -5.362 5.322 1.00 0.00 H new ATOM 507 N THR A 36 19.290 -7.183 6.234 1.00 0.00 N ATOM 508 CA THR A 36 17.975 -7.626 6.681 1.00 0.00 C ATOM 509 C THR A 36 17.213 -6.492 7.357 1.00 0.00 C ATOM 510 O THR A 36 17.592 -6.033 8.434 1.00 0.00 O ATOM 511 CB THR A 36 18.084 -8.811 7.658 1.00 0.00 C ATOM 512 OG1 THR A 36 18.963 -9.807 7.125 1.00 0.00 O ATOM 513 CG2 THR A 36 16.716 -9.423 7.921 1.00 0.00 C ATOM 0 H THR A 36 20.069 -7.583 6.757 1.00 0.00 H new ATOM 0 HA THR A 36 17.430 -7.946 5.793 1.00 0.00 H new ATOM 0 HB THR A 36 18.486 -8.440 8.601 1.00 0.00 H new ATOM 0 HG1 THR A 36 19.028 -10.556 7.753 1.00 0.00 H new ATOM 0 HG21 THR A 36 16.818 -10.258 8.614 1.00 0.00 H new ATOM 0 HG22 THR A 36 16.058 -8.670 8.355 1.00 0.00 H new ATOM 0 HG23 THR A 36 16.291 -9.780 6.983 1.00 0.00 H new ATOM 521 N MET A 37 16.137 -6.045 6.718 1.00 0.00 N ATOM 522 CA MET A 37 15.321 -4.965 7.260 1.00 0.00 C ATOM 523 C MET A 37 13.840 -5.327 7.212 1.00 0.00 C ATOM 524 O MET A 37 13.403 -6.090 6.349 1.00 0.00 O ATOM 525 CB MET A 37 15.567 -3.671 6.482 1.00 0.00 C ATOM 526 CG MET A 37 16.892 -3.005 6.815 1.00 0.00 C ATOM 527 SD MET A 37 17.041 -1.358 6.097 1.00 0.00 S ATOM 528 CE MET A 37 16.879 -0.335 7.558 1.00 0.00 C ATOM 0 H MET A 37 15.810 -6.414 5.825 1.00 0.00 H new ATOM 0 HA MET A 37 15.607 -4.814 8.301 1.00 0.00 H new ATOM 0 HB2 MET A 37 15.537 -3.887 5.414 1.00 0.00 H new ATOM 0 HB3 MET A 37 14.756 -2.972 6.689 1.00 0.00 H new ATOM 0 HG2 MET A 37 16.998 -2.936 7.898 1.00 0.00 H new ATOM 0 HG3 MET A 37 17.709 -3.630 6.454 1.00 0.00 H new ATOM 0 HE1 MET A 37 16.951 0.716 7.276 1.00 0.00 H new ATOM 0 HE2 MET A 37 15.912 -0.520 8.026 1.00 0.00 H new ATOM 0 HE3 MET A 37 17.675 -0.577 8.262 1.00 0.00 H new ATOM 538 N THR A 38 13.070 -4.775 8.145 1.00 0.00 N ATOM 539 CA THR A 38 11.638 -5.041 8.210 1.00 0.00 C ATOM 540 C THR A 38 10.837 -3.882 7.630 1.00 0.00 C ATOM 541 O THR A 38 10.987 -2.736 8.056 1.00 0.00 O ATOM 542 CB THR A 38 11.179 -5.293 9.659 1.00 0.00 C ATOM 543 OG1 THR A 38 11.993 -6.305 10.262 1.00 0.00 O ATOM 544 CG2 THR A 38 9.719 -5.720 9.697 1.00 0.00 C ATOM 0 H THR A 38 13.414 -4.141 8.866 1.00 0.00 H new ATOM 0 HA THR A 38 11.456 -5.938 7.618 1.00 0.00 H new ATOM 0 HB THR A 38 11.284 -4.363 10.217 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.696 -6.458 11.183 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.417 -5.892 10.730 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.099 -4.935 9.264 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.594 -6.639 9.124 1.00 0.00 H new ATOM 552 N CYS A 39 9.985 -4.186 6.657 1.00 0.00 N ATOM 553 CA CYS A 39 9.159 -3.168 6.018 1.00 0.00 C ATOM 554 C CYS A 39 7.680 -3.413 6.298 1.00 0.00 C ATOM 555 O CYS A 39 7.131 -4.450 5.927 1.00 0.00 O ATOM 556 CB CYS A 39 9.409 -3.152 4.509 1.00 0.00 C ATOM 557 SG CYS A 39 8.974 -1.592 3.705 1.00 0.00 S ATOM 0 H CYS A 39 9.848 -5.129 6.294 1.00 0.00 H new ATOM 0 HA CYS A 39 9.433 -2.199 6.435 1.00 0.00 H new ATOM 0 HB2 CYS A 39 10.462 -3.362 4.324 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.837 -3.958 4.048 1.00 0.00 H new ATOM 0 HG CYS A 39 7.984 -1.788 2.885 1.00 0.00 H new ATOM 563 N ARG A 40 7.041 -2.451 6.957 1.00 0.00 N ATOM 564 CA ARG A 40 5.626 -2.564 7.290 1.00 0.00 C ATOM 565 C ARG A 40 4.908 -1.236 7.068 1.00 0.00 C ATOM 566 O ARG A 40 5.540 -0.182 6.988 1.00 0.00 O ATOM 567 CB ARG A 40 5.456 -3.011 8.743 1.00 0.00 C ATOM 568 CG ARG A 40 5.786 -1.928 9.756 1.00 0.00 C ATOM 569 CD ARG A 40 5.794 -2.475 11.175 1.00 0.00 C ATOM 570 NE ARG A 40 6.013 -1.425 12.166 1.00 0.00 N ATOM 571 CZ ARG A 40 6.164 -1.660 13.464 1.00 0.00 C ATOM 572 NH1 ARG A 40 6.120 -2.902 13.926 1.00 0.00 N ATOM 573 NH2 ARG A 40 6.360 -0.651 14.304 1.00 0.00 N ATOM 0 H ARG A 40 7.481 -1.586 7.270 1.00 0.00 H new ATOM 0 HA ARG A 40 5.182 -3.312 6.633 1.00 0.00 H new ATOM 0 HB2 ARG A 40 4.427 -3.338 8.896 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.096 -3.875 8.926 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.761 -1.498 9.525 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.056 -1.122 9.680 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.845 -2.972 11.377 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.575 -3.230 11.268 1.00 0.00 H new ATOM 0 HE ARG A 40 6.052 -0.458 11.843 1.00 0.00 H new ATOM 0 HH11 ARG A 40 5.970 -3.680 13.284 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.236 -3.079 14.924 1.00 0.00 H new ATOM 0 HH21 ARG A 40 6.395 0.306 13.952 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.476 -0.833 15.301 1.00 0.00 H new ATOM 587 N LEU A 41 3.584 -1.294 6.969 1.00 0.00 N ATOM 588 CA LEU A 41 2.779 -0.096 6.756 1.00 0.00 C ATOM 589 C LEU A 41 2.084 0.329 8.045 1.00 0.00 C ATOM 590 O LEU A 41 1.476 -0.491 8.733 1.00 0.00 O ATOM 591 CB LEU A 41 1.741 -0.344 5.660 1.00 0.00 C ATOM 592 CG LEU A 41 2.186 -0.031 4.231 1.00 0.00 C ATOM 593 CD1 LEU A 41 1.287 -0.735 3.226 1.00 0.00 C ATOM 594 CD2 LEU A 41 2.184 1.471 3.989 1.00 0.00 C ATOM 0 H LEU A 41 3.045 -2.158 7.033 1.00 0.00 H new ATOM 0 HA LEU A 41 3.444 0.708 6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.438 -1.390 5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.857 0.253 5.883 1.00 0.00 H new ATOM 0 HG LEU A 41 3.203 -0.399 4.099 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.619 -0.501 2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.338 -1.812 3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.259 -0.397 3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.503 1.675 2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.178 1.863 4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.869 1.953 4.686 1.00 0.00 H new ATOM 606 N SER A 42 2.175 1.616 8.364 1.00 0.00 N ATOM 607 CA SER A 42 1.556 2.150 9.571 1.00 0.00 C ATOM 608 C SER A 42 0.039 1.998 9.516 1.00 0.00 C ATOM 609 O SER A 42 -0.519 1.593 8.497 1.00 0.00 O ATOM 610 CB SER A 42 1.926 3.623 9.751 1.00 0.00 C ATOM 611 OG SER A 42 1.748 4.034 11.095 1.00 0.00 O ATOM 0 H SER A 42 2.672 2.308 7.803 1.00 0.00 H new ATOM 0 HA SER A 42 1.930 1.582 10.423 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.963 3.779 9.454 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.310 4.238 9.095 1.00 0.00 H new ATOM 0 HG SER A 42 1.993 4.979 11.183 1.00 0.00 H new ATOM 617 N ASN A 43 -0.623 2.325 10.621 1.00 0.00 N ATOM 618 CA ASN A 43 -2.076 2.225 10.701 1.00 0.00 C ATOM 619 C ASN A 43 -2.736 2.967 9.543 1.00 0.00 C ATOM 620 O ASN A 43 -3.719 2.498 8.972 1.00 0.00 O ATOM 621 CB ASN A 43 -2.575 2.788 12.033 1.00 0.00 C ATOM 622 CG ASN A 43 -1.695 2.380 13.199 1.00 0.00 C ATOM 623 OD1 ASN A 43 -1.974 1.400 13.889 1.00 0.00 O ATOM 624 ND2 ASN A 43 -0.624 3.133 13.424 1.00 0.00 N ATOM 0 H ASN A 43 -0.176 2.662 11.474 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.347 1.171 10.636 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.613 3.876 11.973 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.593 2.443 12.212 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.005 2.907 14.194 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.431 3.937 12.826 1.00 0.00 H new ATOM 631 N ASN A 44 -2.188 4.129 9.202 1.00 0.00 N ATOM 632 CA ASN A 44 -2.723 4.937 8.112 1.00 0.00 C ATOM 633 C ASN A 44 -2.363 4.332 6.759 1.00 0.00 C ATOM 634 O ASN A 44 -2.972 4.659 5.741 1.00 0.00 O ATOM 635 CB ASN A 44 -2.191 6.368 8.202 1.00 0.00 C ATOM 636 CG ASN A 44 -2.300 6.939 9.602 1.00 0.00 C ATOM 637 OD1 ASN A 44 -3.367 7.391 10.019 1.00 0.00 O ATOM 638 ND2 ASN A 44 -1.193 6.922 10.336 1.00 0.00 N ATOM 0 H ASN A 44 -1.373 4.532 9.665 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.809 4.954 8.204 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.148 6.385 7.886 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.744 7.003 7.510 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -1.205 7.293 11.286 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.331 6.538 9.950 1.00 0.00 H new ATOM 645 N GLN A 45 -1.370 3.448 6.757 1.00 0.00 N ATOM 646 CA GLN A 45 -0.929 2.798 5.529 1.00 0.00 C ATOM 647 C GLN A 45 -0.568 3.830 4.466 1.00 0.00 C ATOM 648 O GLN A 45 -0.871 3.652 3.286 1.00 0.00 O ATOM 649 CB GLN A 45 -2.020 1.864 5.001 1.00 0.00 C ATOM 650 CG GLN A 45 -2.388 0.751 5.968 1.00 0.00 C ATOM 651 CD GLN A 45 -3.607 -0.031 5.521 1.00 0.00 C ATOM 652 OE1 GLN A 45 -4.353 0.407 4.644 1.00 0.00 O ATOM 653 NE2 GLN A 45 -3.817 -1.197 6.122 1.00 0.00 N ATOM 0 H GLN A 45 -0.856 3.166 7.592 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.039 2.212 5.757 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.912 2.450 4.778 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.686 1.423 4.062 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.543 0.071 6.072 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.576 1.178 6.953 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.174 -1.522 6.844 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.622 -1.767 5.862 1.00 0.00 H new ATOM 662 N ARG A 46 0.080 4.909 4.892 1.00 0.00 N ATOM 663 CA ARG A 46 0.481 5.971 3.977 1.00 0.00 C ATOM 664 C ARG A 46 1.992 6.180 4.014 1.00 0.00 C ATOM 665 O ARG A 46 2.573 6.750 3.091 1.00 0.00 O ATOM 666 CB ARG A 46 -0.234 7.276 4.331 1.00 0.00 C ATOM 667 CG ARG A 46 -1.565 7.454 3.619 1.00 0.00 C ATOM 668 CD ARG A 46 -2.009 8.908 3.623 1.00 0.00 C ATOM 669 NE ARG A 46 -3.426 9.049 3.298 1.00 0.00 N ATOM 670 CZ ARG A 46 -4.014 10.217 3.064 1.00 0.00 C ATOM 671 NH1 ARG A 46 -3.311 11.339 3.119 1.00 0.00 N ATOM 672 NH2 ARG A 46 -5.308 10.263 2.775 1.00 0.00 N ATOM 0 H ARG A 46 0.339 5.071 5.865 1.00 0.00 H new ATOM 0 HA ARG A 46 0.198 5.672 2.968 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.400 7.309 5.408 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.416 8.115 4.083 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.479 7.102 2.591 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.323 6.840 4.104 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.817 9.343 4.604 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.414 9.470 2.903 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.995 8.204 3.248 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.316 11.307 3.341 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.765 12.235 2.939 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.852 9.401 2.732 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.759 11.160 2.595 1.00 0.00 H new ATOM 686 N TYR A 47 2.621 5.714 5.088 1.00 0.00 N ATOM 687 CA TYR A 47 4.064 5.853 5.248 1.00 0.00 C ATOM 688 C TYR A 47 4.721 4.493 5.464 1.00 0.00 C ATOM 689 O TYR A 47 4.180 3.633 6.161 1.00 0.00 O ATOM 690 CB TYR A 47 4.382 6.779 6.423 1.00 0.00 C ATOM 691 CG TYR A 47 3.698 8.124 6.336 1.00 0.00 C ATOM 692 CD1 TYR A 47 4.222 9.142 5.547 1.00 0.00 C ATOM 693 CD2 TYR A 47 2.529 8.380 7.042 1.00 0.00 C ATOM 694 CE1 TYR A 47 3.601 10.373 5.464 1.00 0.00 C ATOM 695 CE2 TYR A 47 1.901 9.607 6.965 1.00 0.00 C ATOM 696 CZ TYR A 47 2.441 10.601 6.175 1.00 0.00 C ATOM 697 OH TYR A 47 1.819 11.826 6.096 1.00 0.00 O ATOM 0 H TYR A 47 2.155 5.237 5.860 1.00 0.00 H new ATOM 0 HA TYR A 47 4.465 6.289 4.333 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.086 6.290 7.351 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.460 6.932 6.473 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.130 8.967 4.989 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.104 7.605 7.662 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.021 11.153 4.846 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.992 9.788 7.520 1.00 0.00 H new ATOM 0 HH TYR A 47 1.015 11.821 6.656 1.00 0.00 H new ATOM 707 N LEU A 48 5.891 4.307 4.864 1.00 0.00 N ATOM 708 CA LEU A 48 6.625 3.052 4.991 1.00 0.00 C ATOM 709 C LEU A 48 7.760 3.185 6.001 1.00 0.00 C ATOM 710 O LEU A 48 8.525 4.149 5.967 1.00 0.00 O ATOM 711 CB LEU A 48 7.183 2.625 3.632 1.00 0.00 C ATOM 712 CG LEU A 48 6.172 2.042 2.645 1.00 0.00 C ATOM 713 CD1 LEU A 48 6.792 1.909 1.262 1.00 0.00 C ATOM 714 CD2 LEU A 48 5.663 0.694 3.136 1.00 0.00 C ATOM 0 H LEU A 48 6.352 5.009 4.285 1.00 0.00 H new ATOM 0 HA LEU A 48 5.933 2.289 5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.656 3.490 3.168 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.966 1.885 3.799 1.00 0.00 H new ATOM 0 HG LEU A 48 5.325 2.724 2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.058 1.492 0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.106 2.891 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.657 1.248 1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.944 0.294 2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.500 0.003 3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.180 0.819 4.105 1.00 0.00 H new ATOM 726 N PHE A 49 7.865 2.210 6.897 1.00 0.00 N ATOM 727 CA PHE A 49 8.908 2.217 7.916 1.00 0.00 C ATOM 728 C PHE A 49 9.907 1.087 7.681 1.00 0.00 C ATOM 729 O PHE A 49 9.574 0.064 7.081 1.00 0.00 O ATOM 730 CB PHE A 49 8.290 2.084 9.310 1.00 0.00 C ATOM 731 CG PHE A 49 7.209 3.089 9.584 1.00 0.00 C ATOM 732 CD1 PHE A 49 7.284 4.368 9.058 1.00 0.00 C ATOM 733 CD2 PHE A 49 6.116 2.754 10.369 1.00 0.00 C ATOM 734 CE1 PHE A 49 6.290 5.296 9.309 1.00 0.00 C ATOM 735 CE2 PHE A 49 5.119 3.677 10.622 1.00 0.00 C ATOM 736 CZ PHE A 49 5.207 4.950 10.092 1.00 0.00 C ATOM 0 H PHE A 49 7.240 1.405 6.938 1.00 0.00 H new ATOM 0 HA PHE A 49 9.438 3.167 7.850 1.00 0.00 H new ATOM 0 HB2 PHE A 49 7.879 1.081 9.422 1.00 0.00 H new ATOM 0 HB3 PHE A 49 9.075 2.193 10.059 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.129 4.644 8.444 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.043 1.761 10.787 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.361 6.290 8.893 1.00 0.00 H new ATOM 0 HE2 PHE A 49 4.272 3.404 11.233 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.430 5.673 10.290 1.00 0.00 H new ATOM 746 N LEU A 50 11.132 1.280 8.156 1.00 0.00 N ATOM 747 CA LEU A 50 12.181 0.279 7.997 1.00 0.00 C ATOM 748 C LEU A 50 12.927 0.059 9.309 1.00 0.00 C ATOM 749 O LEU A 50 13.302 1.015 9.989 1.00 0.00 O ATOM 750 CB LEU A 50 13.162 0.708 6.905 1.00 0.00 C ATOM 751 CG LEU A 50 12.541 1.124 5.571 1.00 0.00 C ATOM 752 CD1 LEU A 50 13.562 1.851 4.710 1.00 0.00 C ATOM 753 CD2 LEU A 50 11.991 -0.091 4.837 1.00 0.00 C ATOM 0 H LEU A 50 11.424 2.121 8.655 1.00 0.00 H new ATOM 0 HA LEU A 50 11.711 -0.660 7.706 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.754 1.542 7.283 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.852 -0.115 6.721 1.00 0.00 H new ATOM 0 HG LEU A 50 11.716 1.806 5.774 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.102 2.139 3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 50 13.909 2.743 5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 50 14.409 1.193 4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.553 0.224 3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.799 -0.797 4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.227 -0.571 5.449 1.00 0.00 H new ATOM 765 N ASP A 51 13.142 -1.204 9.658 1.00 0.00 N ATOM 766 CA ASP A 51 13.847 -1.550 10.887 1.00 0.00 C ATOM 767 C ASP A 51 15.142 -2.295 10.579 1.00 0.00 C ATOM 768 O ASP A 51 15.157 -3.230 9.781 1.00 0.00 O ATOM 769 CB ASP A 51 12.954 -2.404 11.789 1.00 0.00 C ATOM 770 CG ASP A 51 13.292 -2.242 13.258 1.00 0.00 C ATOM 771 OD1 ASP A 51 14.480 -2.394 13.614 1.00 0.00 O ATOM 772 OD2 ASP A 51 12.369 -1.962 14.051 1.00 0.00 O ATOM 0 H ASP A 51 12.838 -2.007 9.107 1.00 0.00 H new ATOM 0 HA ASP A 51 14.096 -0.625 11.407 1.00 0.00 H new ATOM 0 HB2 ASP A 51 11.911 -2.131 11.627 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.056 -3.452 11.509 1.00 0.00 H new ATOM 777 N GLY A 52 16.228 -1.872 11.219 1.00 0.00 N ATOM 778 CA GLY A 52 17.514 -2.509 10.999 1.00 0.00 C ATOM 779 C GLY A 52 18.677 -1.607 11.362 1.00 0.00 C ATOM 780 O GLY A 52 18.683 -0.988 12.426 1.00 0.00 O ATOM 0 H GLY A 52 16.240 -1.100 11.886 1.00 0.00 H new ATOM 0 HA2 GLY A 52 17.569 -3.423 11.590 1.00 0.00 H new ATOM 0 HA3 GLY A 52 17.597 -2.801 9.952 1.00 0.00 H new ATOM 784 N ASP A 53 19.665 -1.534 10.477 1.00 0.00 N ATOM 785 CA ASP A 53 20.840 -0.702 10.709 1.00 0.00 C ATOM 786 C ASP A 53 20.462 0.578 11.448 1.00 0.00 C ATOM 787 O ASP A 53 21.132 0.979 12.399 1.00 0.00 O ATOM 788 CB ASP A 53 21.519 -0.359 9.383 1.00 0.00 C ATOM 789 CG ASP A 53 20.912 0.862 8.720 1.00 0.00 C ATOM 790 OD1 ASP A 53 21.277 1.990 9.110 1.00 0.00 O ATOM 791 OD2 ASP A 53 20.071 0.688 7.813 1.00 0.00 O ATOM 0 H ASP A 53 19.676 -2.041 9.592 1.00 0.00 H new ATOM 0 HA ASP A 53 21.537 -1.266 11.329 1.00 0.00 H new ATOM 0 HB2 ASP A 53 22.581 -0.184 9.556 1.00 0.00 H new ATOM 0 HB3 ASP A 53 21.442 -1.211 8.708 1.00 0.00 H new ATOM 796 N SER A 54 19.384 1.215 11.002 1.00 0.00 N ATOM 797 CA SER A 54 18.919 2.453 11.617 1.00 0.00 C ATOM 798 C SER A 54 17.414 2.621 11.430 1.00 0.00 C ATOM 799 O SER A 54 16.751 1.767 10.841 1.00 0.00 O ATOM 800 CB SER A 54 19.656 3.653 11.019 1.00 0.00 C ATOM 801 OG SER A 54 21.018 3.663 11.412 1.00 0.00 O ATOM 0 H SER A 54 18.816 0.895 10.217 1.00 0.00 H new ATOM 0 HA SER A 54 19.131 2.401 12.685 1.00 0.00 H new ATOM 0 HB2 SER A 54 19.588 3.620 9.932 1.00 0.00 H new ATOM 0 HB3 SER A 54 19.175 4.577 11.341 1.00 0.00 H new ATOM 0 HG SER A 54 21.542 3.119 10.788 1.00 0.00 H new ATOM 807 N HIS A 55 16.882 3.729 11.935 1.00 0.00 N ATOM 808 CA HIS A 55 15.455 4.011 11.824 1.00 0.00 C ATOM 809 C HIS A 55 15.145 4.739 10.519 1.00 0.00 C ATOM 810 O HIS A 55 15.075 5.967 10.483 1.00 0.00 O ATOM 811 CB HIS A 55 14.985 4.850 13.012 1.00 0.00 C ATOM 812 CG HIS A 55 14.742 4.048 14.253 1.00 0.00 C ATOM 813 ND1 HIS A 55 13.531 3.454 14.541 1.00 0.00 N ATOM 814 CD2 HIS A 55 15.565 3.740 15.284 1.00 0.00 C ATOM 815 CE1 HIS A 55 13.619 2.818 15.696 1.00 0.00 C ATOM 816 NE2 HIS A 55 14.843 2.975 16.167 1.00 0.00 N ATOM 0 H HIS A 55 17.417 4.446 12.425 1.00 0.00 H new ATOM 0 HA HIS A 55 14.921 3.061 11.826 1.00 0.00 H new ATOM 0 HB2 HIS A 55 15.732 5.615 13.224 1.00 0.00 H new ATOM 0 HB3 HIS A 55 14.066 5.369 12.739 1.00 0.00 H new ATOM 0 HD2 HIS A 55 16.597 4.040 15.392 1.00 0.00 H new ATOM 0 HE1 HIS A 55 12.825 2.264 16.174 1.00 0.00 H new ATOM 0 HE2 HIS A 55 15.195 2.591 17.044 1.00 0.00 H new ATOM 824 N TYR A 56 14.961 3.972 9.449 1.00 0.00 N ATOM 825 CA TYR A 56 14.663 4.544 8.142 1.00 0.00 C ATOM 826 C TYR A 56 13.158 4.574 7.892 1.00 0.00 C ATOM 827 O TYR A 56 12.428 3.684 8.326 1.00 0.00 O ATOM 828 CB TYR A 56 15.358 3.741 7.040 1.00 0.00 C ATOM 829 CG TYR A 56 16.749 4.238 6.716 1.00 0.00 C ATOM 830 CD1 TYR A 56 17.858 3.748 7.394 1.00 0.00 C ATOM 831 CD2 TYR A 56 16.953 5.196 5.730 1.00 0.00 C ATOM 832 CE1 TYR A 56 19.130 4.199 7.101 1.00 0.00 C ATOM 833 CE2 TYR A 56 18.222 5.652 5.430 1.00 0.00 C ATOM 834 CZ TYR A 56 19.307 5.151 6.118 1.00 0.00 C ATOM 835 OH TYR A 56 20.574 5.602 5.823 1.00 0.00 O ATOM 0 H TYR A 56 15.013 2.953 9.462 1.00 0.00 H new ATOM 0 HA TYR A 56 15.037 5.568 8.127 1.00 0.00 H new ATOM 0 HB2 TYR A 56 15.416 2.696 7.345 1.00 0.00 H new ATOM 0 HB3 TYR A 56 14.749 3.776 6.137 1.00 0.00 H new ATOM 0 HD1 TYR A 56 17.723 3.002 8.163 1.00 0.00 H new ATOM 0 HD2 TYR A 56 16.105 5.590 5.189 1.00 0.00 H new ATOM 0 HE1 TYR A 56 19.982 3.809 7.638 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.364 6.397 4.661 1.00 0.00 H new ATOM 0 HH TYR A 56 20.525 6.269 5.107 1.00 0.00 H new ATOM 845 N GLU A 57 12.702 5.606 7.187 1.00 0.00 N ATOM 846 CA GLU A 57 11.285 5.753 6.879 1.00 0.00 C ATOM 847 C GLU A 57 11.090 6.418 5.519 1.00 0.00 C ATOM 848 O GLU A 57 11.584 7.520 5.279 1.00 0.00 O ATOM 849 CB GLU A 57 10.586 6.574 7.965 1.00 0.00 C ATOM 850 CG GLU A 57 10.620 5.922 9.337 1.00 0.00 C ATOM 851 CD GLU A 57 11.908 6.202 10.085 1.00 0.00 C ATOM 852 OE1 GLU A 57 12.893 6.613 9.436 1.00 0.00 O ATOM 853 OE2 GLU A 57 11.932 6.012 11.319 1.00 0.00 O ATOM 0 H GLU A 57 13.293 6.351 6.819 1.00 0.00 H new ATOM 0 HA GLU A 57 10.842 4.758 6.845 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.057 7.555 8.026 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.548 6.736 7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.777 6.281 9.927 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.496 4.845 9.226 1.00 0.00 H new ATOM 860 N ILE A 58 10.367 5.740 4.634 1.00 0.00 N ATOM 861 CA ILE A 58 10.106 6.264 3.299 1.00 0.00 C ATOM 862 C ILE A 58 8.632 6.612 3.124 1.00 0.00 C ATOM 863 O ILE A 58 7.803 5.736 2.881 1.00 0.00 O ATOM 864 CB ILE A 58 10.518 5.257 2.209 1.00 0.00 C ATOM 865 CG1 ILE A 58 12.022 4.985 2.277 1.00 0.00 C ATOM 866 CG2 ILE A 58 10.130 5.779 0.833 1.00 0.00 C ATOM 867 CD1 ILE A 58 12.409 3.606 1.791 1.00 0.00 C ATOM 0 H ILE A 58 9.952 4.827 4.817 1.00 0.00 H new ATOM 0 HA ILE A 58 10.705 7.168 3.192 1.00 0.00 H new ATOM 0 HB ILE A 58 9.991 4.319 2.383 1.00 0.00 H new ATOM 0 HG12 ILE A 58 12.545 5.732 1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.359 5.106 3.307 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.427 5.057 0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.051 5.927 0.791 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.633 6.728 0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 58 13.489 3.483 1.868 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.914 2.852 2.403 1.00 0.00 H new ATOM 0 HD13 ILE A 58 12.103 3.487 0.751 1.00 0.00 H new ATOM 879 N GLU A 59 8.314 7.897 3.247 1.00 0.00 N ATOM 880 CA GLU A 59 6.940 8.360 3.101 1.00 0.00 C ATOM 881 C GLU A 59 6.458 8.189 1.663 1.00 0.00 C ATOM 882 O GLU A 59 7.112 8.637 0.721 1.00 0.00 O ATOM 883 CB GLU A 59 6.826 9.828 3.517 1.00 0.00 C ATOM 884 CG GLU A 59 7.923 10.710 2.945 1.00 0.00 C ATOM 885 CD GLU A 59 9.149 10.767 3.835 1.00 0.00 C ATOM 886 OE1 GLU A 59 9.010 11.160 5.012 1.00 0.00 O ATOM 887 OE2 GLU A 59 10.248 10.419 3.355 1.00 0.00 O ATOM 0 H GLU A 59 8.989 8.635 3.447 1.00 0.00 H new ATOM 0 HA GLU A 59 6.309 7.755 3.752 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.858 10.213 3.197 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.851 9.892 4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.209 10.336 1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.535 11.719 2.802 1.00 0.00 H new ATOM 894 N ILE A 60 5.311 7.538 1.503 1.00 0.00 N ATOM 895 CA ILE A 60 4.741 7.309 0.181 1.00 0.00 C ATOM 896 C ILE A 60 4.486 8.626 -0.544 1.00 0.00 C ATOM 897 O ILE A 60 4.556 8.695 -1.771 1.00 0.00 O ATOM 898 CB ILE A 60 3.422 6.518 0.266 1.00 0.00 C ATOM 899 CG1 ILE A 60 3.626 5.228 1.064 1.00 0.00 C ATOM 900 CG2 ILE A 60 2.900 6.207 -1.129 1.00 0.00 C ATOM 901 CD1 ILE A 60 2.351 4.444 1.281 1.00 0.00 C ATOM 0 H ILE A 60 4.758 7.160 2.272 1.00 0.00 H new ATOM 0 HA ILE A 60 5.470 6.724 -0.380 1.00 0.00 H new ATOM 0 HB ILE A 60 2.682 7.129 0.782 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.346 4.598 0.542 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.061 5.474 2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.968 5.648 -1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.721 7.138 -1.667 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.637 5.612 -1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.571 3.543 1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.636 5.057 1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.926 4.167 0.316 1.00 0.00 H new ATOM 913 N VAL A 61 4.190 9.670 0.224 1.00 0.00 N ATOM 914 CA VAL A 61 3.927 10.986 -0.344 1.00 0.00 C ATOM 915 C VAL A 61 5.049 11.414 -1.283 1.00 0.00 C ATOM 916 O VAL A 61 4.831 12.185 -2.219 1.00 0.00 O ATOM 917 CB VAL A 61 3.761 12.050 0.757 1.00 0.00 C ATOM 918 CG1 VAL A 61 2.511 11.777 1.580 1.00 0.00 C ATOM 919 CG2 VAL A 61 4.995 12.094 1.646 1.00 0.00 C ATOM 0 H VAL A 61 4.126 9.629 1.241 1.00 0.00 H new ATOM 0 HA VAL A 61 2.997 10.907 -0.906 1.00 0.00 H new ATOM 0 HB VAL A 61 3.648 13.024 0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.411 12.539 2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.636 11.801 0.931 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.590 10.795 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.860 12.851 2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.141 11.120 2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.869 12.342 1.043 1.00 0.00 H new ATOM 929 N HIS A 62 6.252 10.909 -1.028 1.00 0.00 N ATOM 930 CA HIS A 62 7.410 11.237 -1.852 1.00 0.00 C ATOM 931 C HIS A 62 7.578 10.225 -2.981 1.00 0.00 C ATOM 932 O HIS A 62 7.813 10.598 -4.131 1.00 0.00 O ATOM 933 CB HIS A 62 8.676 11.279 -0.996 1.00 0.00 C ATOM 934 CG HIS A 62 8.960 12.628 -0.410 1.00 0.00 C ATOM 935 ND1 HIS A 62 8.998 13.782 -1.164 1.00 0.00 N ATOM 936 CD2 HIS A 62 9.218 13.003 0.864 1.00 0.00 C ATOM 937 CE1 HIS A 62 9.269 14.809 -0.378 1.00 0.00 C ATOM 938 NE2 HIS A 62 9.407 14.363 0.858 1.00 0.00 N ATOM 0 H HIS A 62 6.450 10.271 -0.257 1.00 0.00 H new ATOM 0 HA HIS A 62 7.245 12.221 -2.292 1.00 0.00 H new ATOM 0 HB2 HIS A 62 8.582 10.554 -0.188 1.00 0.00 H new ATOM 0 HB3 HIS A 62 9.526 10.970 -1.604 1.00 0.00 H new ATOM 0 HD2 HIS A 62 9.266 12.353 1.726 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.362 15.838 -0.692 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.619 14.936 1.675 1.00 0.00 H new ATOM 946 N ILE A 63 7.458 8.946 -2.645 1.00 0.00 N ATOM 947 CA ILE A 63 7.596 7.881 -3.631 1.00 0.00 C ATOM 948 C ILE A 63 6.862 8.229 -4.922 1.00 0.00 C ATOM 949 O ILE A 63 5.685 8.590 -4.901 1.00 0.00 O ATOM 950 CB ILE A 63 7.059 6.542 -3.093 1.00 0.00 C ATOM 951 CG1 ILE A 63 7.741 6.189 -1.770 1.00 0.00 C ATOM 952 CG2 ILE A 63 7.273 5.436 -4.116 1.00 0.00 C ATOM 953 CD1 ILE A 63 7.310 4.854 -1.205 1.00 0.00 C ATOM 0 H ILE A 63 7.265 8.621 -1.697 1.00 0.00 H new ATOM 0 HA ILE A 63 8.661 7.778 -3.838 1.00 0.00 H new ATOM 0 HB ILE A 63 5.989 6.643 -2.914 1.00 0.00 H new ATOM 0 HG12 ILE A 63 8.821 6.180 -1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.526 6.970 -1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.888 4.496 -3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.746 5.685 -5.037 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.338 5.334 -4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 63 7.834 4.670 -0.267 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.235 4.865 -1.024 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.550 4.063 -1.916 1.00 0.00 H new ATOM 965 N SER A 64 7.564 8.115 -6.045 1.00 0.00 N ATOM 966 CA SER A 64 6.979 8.419 -7.346 1.00 0.00 C ATOM 967 C SER A 64 6.734 7.141 -8.143 1.00 0.00 C ATOM 968 O SER A 64 5.638 6.916 -8.657 1.00 0.00 O ATOM 969 CB SER A 64 7.896 9.357 -8.134 1.00 0.00 C ATOM 970 OG SER A 64 7.654 10.711 -7.792 1.00 0.00 O ATOM 0 H SER A 64 8.538 7.815 -6.080 1.00 0.00 H new ATOM 0 HA SER A 64 6.021 8.913 -7.180 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.938 9.108 -7.931 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.736 9.214 -9.203 1.00 0.00 H new ATOM 0 HG SER A 64 8.253 11.291 -8.307 1.00 0.00 H new ATOM 976 N THR A 65 7.764 6.307 -8.243 1.00 0.00 N ATOM 977 CA THR A 65 7.663 5.052 -8.978 1.00 0.00 C ATOM 978 C THR A 65 7.561 3.865 -8.027 1.00 0.00 C ATOM 979 O THR A 65 8.344 3.741 -7.085 1.00 0.00 O ATOM 980 CB THR A 65 8.873 4.847 -9.909 1.00 0.00 C ATOM 981 OG1 THR A 65 9.078 6.017 -10.709 1.00 0.00 O ATOM 982 CG2 THR A 65 8.664 3.640 -10.810 1.00 0.00 C ATOM 0 H THR A 65 8.678 6.478 -7.824 1.00 0.00 H new ATOM 0 HA THR A 65 6.757 5.111 -9.580 1.00 0.00 H new ATOM 0 HB THR A 65 9.754 4.670 -9.292 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.850 5.880 -11.297 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.531 3.515 -11.458 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.537 2.747 -10.198 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.774 3.791 -11.420 1.00 0.00 H new ATOM 990 N VAL A 66 6.591 2.992 -8.280 1.00 0.00 N ATOM 991 CA VAL A 66 6.387 1.812 -7.447 1.00 0.00 C ATOM 992 C VAL A 66 6.177 0.567 -8.301 1.00 0.00 C ATOM 993 O VAL A 66 5.092 0.350 -8.841 1.00 0.00 O ATOM 994 CB VAL A 66 5.179 1.989 -6.509 1.00 0.00 C ATOM 995 CG1 VAL A 66 4.990 0.753 -5.642 1.00 0.00 C ATOM 996 CG2 VAL A 66 5.349 3.232 -5.650 1.00 0.00 C ATOM 0 H VAL A 66 5.934 3.079 -9.055 1.00 0.00 H new ATOM 0 HA VAL A 66 7.288 1.689 -6.846 1.00 0.00 H new ATOM 0 HB VAL A 66 4.284 2.116 -7.118 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.132 0.897 -4.986 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.819 -0.115 -6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.884 0.591 -5.040 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.486 3.341 -4.993 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.253 3.138 -5.048 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.430 4.109 -6.292 1.00 0.00 H new ATOM 1006 N GLN A 67 7.220 -0.248 -8.417 1.00 0.00 N ATOM 1007 CA GLN A 67 7.149 -1.472 -9.206 1.00 0.00 C ATOM 1008 C GLN A 67 7.693 -2.660 -8.418 1.00 0.00 C ATOM 1009 O GLN A 67 8.448 -2.488 -7.460 1.00 0.00 O ATOM 1010 CB GLN A 67 7.929 -1.310 -10.511 1.00 0.00 C ATOM 1011 CG GLN A 67 9.428 -1.513 -10.353 1.00 0.00 C ATOM 1012 CD GLN A 67 10.144 -1.633 -11.684 1.00 0.00 C ATOM 1013 OE1 GLN A 67 9.587 -2.141 -12.658 1.00 0.00 O ATOM 1014 NE2 GLN A 67 11.385 -1.165 -11.733 1.00 0.00 N ATOM 0 H GLN A 67 8.124 -0.083 -7.975 1.00 0.00 H new ATOM 0 HA GLN A 67 6.102 -1.663 -9.439 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.549 -2.023 -11.243 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.746 -0.313 -10.913 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.847 -0.677 -9.793 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.609 -2.413 -9.765 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.807 -0.752 -10.902 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.916 -1.218 -12.602 1.00 0.00 H new ATOM 1023 N ILE A 68 7.307 -3.863 -8.828 1.00 0.00 N ATOM 1024 CA ILE A 68 7.757 -5.078 -8.161 1.00 0.00 C ATOM 1025 C ILE A 68 8.817 -5.798 -8.988 1.00 0.00 C ATOM 1026 O ILE A 68 8.692 -5.921 -10.207 1.00 0.00 O ATOM 1027 CB ILE A 68 6.586 -6.042 -7.896 1.00 0.00 C ATOM 1028 CG1 ILE A 68 5.632 -5.448 -6.859 1.00 0.00 C ATOM 1029 CG2 ILE A 68 7.107 -7.394 -7.432 1.00 0.00 C ATOM 1030 CD1 ILE A 68 4.265 -6.097 -6.852 1.00 0.00 C ATOM 0 H ILE A 68 6.683 -4.022 -9.619 1.00 0.00 H new ATOM 0 HA ILE A 68 8.188 -4.773 -7.207 1.00 0.00 H new ATOM 0 HB ILE A 68 6.036 -6.186 -8.826 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.077 -5.547 -5.869 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.518 -4.381 -7.052 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.267 -8.064 -7.249 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.750 -7.820 -8.202 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.678 -7.268 -6.512 1.00 0.00 H new ATOM 0 HD11 ILE A 68 3.642 -5.625 -6.092 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.799 -5.975 -7.830 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.368 -7.159 -6.629 1.00 0.00 H new ATOM 1042 N LEU A 69 9.860 -6.275 -8.316 1.00 0.00 N ATOM 1043 CA LEU A 69 10.942 -6.986 -8.988 1.00 0.00 C ATOM 1044 C LEU A 69 10.668 -8.486 -9.025 1.00 0.00 C ATOM 1045 O LEU A 69 10.398 -9.105 -7.995 1.00 0.00 O ATOM 1046 CB LEU A 69 12.272 -6.716 -8.282 1.00 0.00 C ATOM 1047 CG LEU A 69 12.777 -5.273 -8.329 1.00 0.00 C ATOM 1048 CD1 LEU A 69 13.954 -5.089 -7.385 1.00 0.00 C ATOM 1049 CD2 LEU A 69 13.164 -4.891 -9.750 1.00 0.00 C ATOM 0 H LEU A 69 9.979 -6.182 -7.307 1.00 0.00 H new ATOM 0 HA LEU A 69 11.001 -6.621 -10.013 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.172 -7.011 -7.237 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.032 -7.360 -8.724 1.00 0.00 H new ATOM 0 HG LEU A 69 11.972 -4.614 -8.004 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.300 -4.056 -7.432 1.00 0.00 H new ATOM 0 HD12 LEU A 69 13.643 -5.322 -6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.764 -5.757 -7.679 1.00 0.00 H new ATOM 0 HD21 LEU A 69 13.521 -3.861 -9.766 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.954 -5.554 -10.103 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.295 -4.983 -10.401 1.00 0.00 H new ATOM 1061 N THR A 70 10.740 -9.066 -10.219 1.00 0.00 N ATOM 1062 CA THR A 70 10.501 -10.493 -10.391 1.00 0.00 C ATOM 1063 C THR A 70 11.586 -11.133 -11.250 1.00 0.00 C ATOM 1064 O THR A 70 11.776 -10.757 -12.406 1.00 0.00 O ATOM 1065 CB THR A 70 9.128 -10.759 -11.036 1.00 0.00 C ATOM 1066 OG1 THR A 70 9.033 -10.072 -12.288 1.00 0.00 O ATOM 1067 CG2 THR A 70 8.002 -10.308 -10.117 1.00 0.00 C ATOM 0 H THR A 70 10.962 -8.569 -11.081 1.00 0.00 H new ATOM 0 HA THR A 70 10.519 -10.938 -9.396 1.00 0.00 H new ATOM 0 HB THR A 70 9.032 -11.832 -11.203 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.895 -10.116 -12.752 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.042 -10.506 -10.594 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.059 -10.855 -9.176 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.097 -9.240 -9.922 1.00 0.00 H new ATOM 1214 N ALA A 82 6.955 -12.384 -7.081 1.00 0.00 N ATOM 1215 CA ALA A 82 7.577 -11.123 -6.696 1.00 0.00 C ATOM 1216 C ALA A 82 8.743 -11.356 -5.741 1.00 0.00 C ATOM 1217 O ALA A 82 8.584 -11.292 -4.522 1.00 0.00 O ATOM 1218 CB ALA A 82 6.549 -10.199 -6.061 1.00 0.00 C ATOM 0 HA ALA A 82 7.967 -10.649 -7.597 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.028 -9.261 -5.779 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.750 -9.998 -6.775 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.131 -10.675 -5.174 1.00 0.00 H new ATOM 1224 N THR A 83 9.918 -11.626 -6.303 1.00 0.00 N ATOM 1225 CA THR A 83 11.110 -11.869 -5.502 1.00 0.00 C ATOM 1226 C THR A 83 11.783 -10.560 -5.105 1.00 0.00 C ATOM 1227 O THR A 83 13.005 -10.490 -4.986 1.00 0.00 O ATOM 1228 CB THR A 83 12.126 -12.746 -6.258 1.00 0.00 C ATOM 1229 OG1 THR A 83 12.857 -11.949 -7.197 1.00 0.00 O ATOM 1230 CG2 THR A 83 11.424 -13.881 -6.988 1.00 0.00 C ATOM 0 H THR A 83 10.068 -11.682 -7.310 1.00 0.00 H new ATOM 0 HA THR A 83 10.785 -12.394 -4.604 1.00 0.00 H new ATOM 0 HB THR A 83 12.815 -13.174 -5.530 1.00 0.00 H new ATOM 0 HG1 THR A 83 13.458 -11.344 -6.714 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.162 -14.486 -7.514 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.892 -14.503 -6.268 1.00 0.00 H new ATOM 0 HG23 THR A 83 10.715 -13.468 -7.705 1.00 0.00 H new ATOM 1238 N GLY A 84 10.975 -9.524 -4.899 1.00 0.00 N ATOM 1239 CA GLY A 84 11.511 -8.230 -4.517 1.00 0.00 C ATOM 1240 C GLY A 84 10.570 -7.090 -4.853 1.00 0.00 C ATOM 1241 O GLY A 84 9.431 -7.317 -5.262 1.00 0.00 O ATOM 0 H GLY A 84 9.960 -9.558 -4.990 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.714 -8.226 -3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.464 -8.071 -5.022 1.00 0.00 H new ATOM 1245 N MET A 85 11.046 -5.862 -4.680 1.00 0.00 N ATOM 1246 CA MET A 85 10.238 -4.682 -4.969 1.00 0.00 C ATOM 1247 C MET A 85 11.123 -3.471 -5.244 1.00 0.00 C ATOM 1248 O MET A 85 12.017 -3.152 -4.460 1.00 0.00 O ATOM 1249 CB MET A 85 9.296 -4.385 -3.800 1.00 0.00 C ATOM 1250 CG MET A 85 8.521 -3.087 -3.960 1.00 0.00 C ATOM 1251 SD MET A 85 7.127 -2.966 -2.822 1.00 0.00 S ATOM 1252 CE MET A 85 5.766 -2.784 -3.971 1.00 0.00 C ATOM 0 H MET A 85 11.986 -5.657 -4.341 1.00 0.00 H new ATOM 0 HA MET A 85 9.646 -4.887 -5.861 1.00 0.00 H new ATOM 0 HB2 MET A 85 8.591 -5.209 -3.694 1.00 0.00 H new ATOM 0 HB3 MET A 85 9.876 -4.341 -2.878 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.193 -2.245 -3.796 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.157 -3.010 -4.984 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.162 -1.922 -3.687 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.157 -2.637 -4.978 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.149 -3.682 -3.949 1.00 0.00 H new ATOM 1262 N PHE A 86 10.869 -2.800 -6.362 1.00 0.00 N ATOM 1263 CA PHE A 86 11.644 -1.624 -6.742 1.00 0.00 C ATOM 1264 C PHE A 86 10.809 -0.355 -6.605 1.00 0.00 C ATOM 1265 O PHE A 86 9.747 -0.227 -7.216 1.00 0.00 O ATOM 1266 CB PHE A 86 12.150 -1.763 -8.179 1.00 0.00 C ATOM 1267 CG PHE A 86 13.149 -0.710 -8.567 1.00 0.00 C ATOM 1268 CD1 PHE A 86 12.732 0.564 -8.916 1.00 0.00 C ATOM 1269 CD2 PHE A 86 14.505 -0.995 -8.582 1.00 0.00 C ATOM 1270 CE1 PHE A 86 13.649 1.535 -9.273 1.00 0.00 C ATOM 1271 CE2 PHE A 86 15.426 -0.028 -8.938 1.00 0.00 C ATOM 1272 CZ PHE A 86 14.997 1.238 -9.285 1.00 0.00 C ATOM 0 H PHE A 86 10.132 -3.050 -7.021 1.00 0.00 H new ATOM 0 HA PHE A 86 12.498 -1.550 -6.069 1.00 0.00 H new ATOM 0 HB2 PHE A 86 12.604 -2.746 -8.302 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.301 -1.716 -8.861 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.678 0.801 -8.909 1.00 0.00 H new ATOM 0 HD2 PHE A 86 14.846 -1.984 -8.313 1.00 0.00 H new ATOM 0 HE1 PHE A 86 13.311 2.525 -9.542 1.00 0.00 H new ATOM 0 HE2 PHE A 86 16.480 -0.262 -8.945 1.00 0.00 H new ATOM 0 HZ PHE A 86 15.715 1.994 -9.565 1.00 0.00 H new ATOM 1282 N LEU A 87 11.295 0.582 -5.798 1.00 0.00 N ATOM 1283 CA LEU A 87 10.594 1.843 -5.579 1.00 0.00 C ATOM 1284 C LEU A 87 11.523 3.030 -5.814 1.00 0.00 C ATOM 1285 O LEU A 87 12.736 2.866 -5.935 1.00 0.00 O ATOM 1286 CB LEU A 87 10.031 1.895 -4.158 1.00 0.00 C ATOM 1287 CG LEU A 87 9.352 0.620 -3.657 1.00 0.00 C ATOM 1288 CD1 LEU A 87 9.239 0.635 -2.141 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.979 0.461 -4.294 1.00 0.00 C ATOM 0 H LEU A 87 12.172 0.492 -5.284 1.00 0.00 H new ATOM 0 HA LEU A 87 9.772 1.902 -6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.844 2.142 -3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.311 2.711 -4.104 1.00 0.00 H new ATOM 0 HG LEU A 87 9.966 -0.233 -3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.753 -0.280 -1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.235 0.700 -1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.648 1.496 -1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.511 -0.452 -3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.357 1.318 -4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.085 0.403 -5.377 1.00 0.00 H new ATOM 1301 N GLN A 88 10.943 4.224 -5.876 1.00 0.00 N ATOM 1302 CA GLN A 88 11.720 5.439 -6.096 1.00 0.00 C ATOM 1303 C GLN A 88 11.111 6.617 -5.343 1.00 0.00 C ATOM 1304 O GLN A 88 9.904 6.853 -5.410 1.00 0.00 O ATOM 1305 CB GLN A 88 11.796 5.758 -7.590 1.00 0.00 C ATOM 1306 CG GLN A 88 12.616 4.754 -8.385 1.00 0.00 C ATOM 1307 CD GLN A 88 12.994 5.268 -9.760 1.00 0.00 C ATOM 1308 OE1 GLN A 88 12.610 4.691 -10.778 1.00 0.00 O ATOM 1309 NE2 GLN A 88 13.749 6.359 -9.798 1.00 0.00 N ATOM 0 H GLN A 88 9.939 4.377 -5.777 1.00 0.00 H new ATOM 0 HA GLN A 88 12.728 5.270 -5.717 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.786 5.793 -7.997 1.00 0.00 H new ATOM 0 HB3 GLN A 88 12.227 6.751 -7.720 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.522 4.511 -7.830 1.00 0.00 H new ATOM 0 HG3 GLN A 88 12.049 3.829 -8.490 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.045 6.805 -8.930 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.033 6.751 -10.696 1.00 0.00 H new ATOM 1318 N TYR A 89 11.953 7.353 -4.626 1.00 0.00 N ATOM 1319 CA TYR A 89 11.497 8.506 -3.858 1.00 0.00 C ATOM 1320 C TYR A 89 12.503 9.650 -3.944 1.00 0.00 C ATOM 1321 O TYR A 89 13.636 9.465 -4.390 1.00 0.00 O ATOM 1322 CB TYR A 89 11.276 8.115 -2.396 1.00 0.00 C ATOM 1323 CG TYR A 89 12.476 7.454 -1.757 1.00 0.00 C ATOM 1324 CD1 TYR A 89 13.581 8.203 -1.368 1.00 0.00 C ATOM 1325 CD2 TYR A 89 12.507 6.082 -1.544 1.00 0.00 C ATOM 1326 CE1 TYR A 89 14.680 7.603 -0.784 1.00 0.00 C ATOM 1327 CE2 TYR A 89 13.601 5.474 -0.960 1.00 0.00 C ATOM 1328 CZ TYR A 89 14.686 6.239 -0.582 1.00 0.00 C ATOM 1329 OH TYR A 89 15.778 5.637 -0.001 1.00 0.00 O ATOM 0 H TYR A 89 12.955 7.172 -4.560 1.00 0.00 H new ATOM 0 HA TYR A 89 10.552 8.844 -4.284 1.00 0.00 H new ATOM 0 HB2 TYR A 89 11.017 9.007 -1.826 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.424 7.438 -2.335 1.00 0.00 H new ATOM 0 HD1 TYR A 89 13.580 9.272 -1.525 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.661 5.480 -1.840 1.00 0.00 H new ATOM 0 HE1 TYR A 89 15.530 8.199 -0.487 1.00 0.00 H new ATOM 0 HE2 TYR A 89 13.608 4.406 -0.800 1.00 0.00 H new ATOM 0 HH TYR A 89 15.620 4.672 0.070 1.00 0.00 H new ATOM 1339 N THR A 90 12.080 10.834 -3.512 1.00 0.00 N ATOM 1340 CA THR A 90 12.942 12.010 -3.540 1.00 0.00 C ATOM 1341 C THR A 90 13.116 12.596 -2.144 1.00 0.00 C ATOM 1342 O THR A 90 12.146 12.767 -1.406 1.00 0.00 O ATOM 1343 CB THR A 90 12.379 13.097 -4.475 1.00 0.00 C ATOM 1344 OG1 THR A 90 10.996 13.327 -4.182 1.00 0.00 O ATOM 1345 CG2 THR A 90 12.533 12.690 -5.933 1.00 0.00 C ATOM 0 H THR A 90 11.146 11.004 -3.139 1.00 0.00 H new ATOM 0 HA THR A 90 13.911 11.684 -3.918 1.00 0.00 H new ATOM 0 HB THR A 90 12.943 14.015 -4.309 1.00 0.00 H new ATOM 0 HG1 THR A 90 10.646 14.021 -4.779 1.00 0.00 H new ATOM 0 HG21 THR A 90 12.128 13.473 -6.574 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.589 12.544 -6.161 1.00 0.00 H new ATOM 0 HG23 THR A 90 11.992 11.760 -6.110 1.00 0.00 H new ATOM 1353 N VAL A 91 14.359 12.905 -1.788 1.00 0.00 N ATOM 1354 CA VAL A 91 14.661 13.475 -0.480 1.00 0.00 C ATOM 1355 C VAL A 91 14.850 14.985 -0.569 1.00 0.00 C ATOM 1356 O VAL A 91 15.613 15.492 -1.392 1.00 0.00 O ATOM 1357 CB VAL A 91 15.928 12.844 0.128 1.00 0.00 C ATOM 1358 CG1 VAL A 91 16.051 13.208 1.600 1.00 0.00 C ATOM 1359 CG2 VAL A 91 15.913 11.334 -0.057 1.00 0.00 C ATOM 0 H VAL A 91 15.173 12.770 -2.387 1.00 0.00 H new ATOM 0 HA VAL A 91 13.810 13.256 0.165 1.00 0.00 H new ATOM 0 HB VAL A 91 16.798 13.242 -0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.952 12.754 2.013 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.111 14.291 1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 91 15.179 12.840 2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 91 16.816 10.905 0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.037 10.915 0.438 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.876 11.098 -1.121 1.00 0.00 H new ATOM 1369 N PRO A 92 14.140 15.722 0.298 1.00 0.00 N ATOM 1370 CA PRO A 92 14.214 17.186 0.338 1.00 0.00 C ATOM 1371 C PRO A 92 15.556 17.684 0.861 1.00 0.00 C ATOM 1372 O PRO A 92 15.761 18.886 1.029 1.00 0.00 O ATOM 1373 CB PRO A 92 13.088 17.571 1.300 1.00 0.00 C ATOM 1374 CG PRO A 92 12.908 16.376 2.171 1.00 0.00 C ATOM 1375 CD PRO A 92 13.212 15.184 1.306 1.00 0.00 C ATOM 0 HA PRO A 92 14.115 17.627 -0.654 1.00 0.00 H new ATOM 0 HB2 PRO A 92 13.352 18.452 1.886 1.00 0.00 H new ATOM 0 HB3 PRO A 92 12.171 17.810 0.761 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.577 16.415 3.031 1.00 0.00 H new ATOM 0 HG3 PRO A 92 11.891 16.326 2.560 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.666 14.376 1.880 1.00 0.00 H new ATOM 0 HD3 PRO A 92 12.310 14.780 0.847 1.00 0.00 H new ATOM 1383 N GLY A 93 16.470 16.753 1.118 1.00 0.00 N ATOM 1384 CA GLY A 93 17.781 17.118 1.620 1.00 0.00 C ATOM 1385 C GLY A 93 18.904 16.521 0.796 1.00 0.00 C ATOM 1386 O GLY A 93 20.047 16.445 1.250 1.00 0.00 O ATOM 0 H GLY A 93 16.325 15.752 0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 93 17.875 18.204 1.625 1.00 0.00 H new ATOM 0 HA3 GLY A 93 17.876 16.785 2.654 1.00 0.00 H new ATOM 1390 N THR A 94 18.581 16.093 -0.420 1.00 0.00 N ATOM 1391 CA THR A 94 19.570 15.496 -1.309 1.00 0.00 C ATOM 1392 C THR A 94 19.347 15.933 -2.752 1.00 0.00 C ATOM 1393 O THR A 94 18.263 16.391 -3.110 1.00 0.00 O ATOM 1394 CB THR A 94 19.534 13.958 -1.238 1.00 0.00 C ATOM 1395 OG1 THR A 94 20.800 13.419 -1.634 1.00 0.00 O ATOM 1396 CG2 THR A 94 18.438 13.401 -2.135 1.00 0.00 C ATOM 0 H THR A 94 17.641 16.149 -0.812 1.00 0.00 H new ATOM 0 HA THR A 94 20.547 15.844 -0.974 1.00 0.00 H new ATOM 0 HB THR A 94 19.322 13.669 -0.209 1.00 0.00 H new ATOM 0 HG1 THR A 94 20.769 12.441 -1.584 1.00 0.00 H new ATOM 0 HG21 THR A 94 18.431 12.313 -2.069 1.00 0.00 H new ATOM 0 HG22 THR A 94 17.472 13.790 -1.813 1.00 0.00 H new ATOM 0 HG23 THR A 94 18.625 13.701 -3.166 1.00 0.00 H new ATOM 1404 N GLU A 95 20.380 15.786 -3.576 1.00 0.00 N ATOM 1405 CA GLU A 95 20.295 16.166 -4.982 1.00 0.00 C ATOM 1406 C GLU A 95 20.117 14.937 -5.868 1.00 0.00 C ATOM 1407 O GLU A 95 21.028 14.122 -6.007 1.00 0.00 O ATOM 1408 CB GLU A 95 21.550 16.935 -5.402 1.00 0.00 C ATOM 1409 CG GLU A 95 21.751 18.234 -4.641 1.00 0.00 C ATOM 1410 CD GLU A 95 22.361 18.019 -3.270 1.00 0.00 C ATOM 1411 OE1 GLU A 95 23.306 17.210 -3.160 1.00 0.00 O ATOM 1412 OE2 GLU A 95 21.893 18.660 -2.305 1.00 0.00 O ATOM 0 H GLU A 95 21.284 15.407 -3.295 1.00 0.00 H new ATOM 0 HA GLU A 95 19.425 16.810 -5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 95 22.422 16.298 -5.254 1.00 0.00 H new ATOM 0 HB3 GLU A 95 21.492 17.154 -6.468 1.00 0.00 H new ATOM 0 HG2 GLU A 95 22.395 18.895 -5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 95 20.791 18.739 -4.532 1.00 0.00 H new ATOM 1419 N GLY A 96 18.936 14.811 -6.465 1.00 0.00 N ATOM 1420 CA GLY A 96 18.659 13.679 -7.330 1.00 0.00 C ATOM 1421 C GLY A 96 17.576 12.776 -6.774 1.00 0.00 C ATOM 1422 O GLY A 96 16.845 13.161 -5.861 1.00 0.00 O ATOM 0 H GLY A 96 18.166 15.473 -6.365 1.00 0.00 H new ATOM 0 HA2 GLY A 96 18.356 14.042 -8.312 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.573 13.101 -7.471 1.00 0.00 H new ATOM 1426 N VAL A 97 17.469 11.572 -7.327 1.00 0.00 N ATOM 1427 CA VAL A 97 16.467 10.612 -6.881 1.00 0.00 C ATOM 1428 C VAL A 97 17.121 9.366 -6.295 1.00 0.00 C ATOM 1429 O VAL A 97 18.243 9.011 -6.657 1.00 0.00 O ATOM 1430 CB VAL A 97 15.537 10.195 -8.036 1.00 0.00 C ATOM 1431 CG1 VAL A 97 14.422 9.294 -7.526 1.00 0.00 C ATOM 1432 CG2 VAL A 97 14.966 11.423 -8.730 1.00 0.00 C ATOM 0 H VAL A 97 18.064 11.238 -8.085 1.00 0.00 H new ATOM 0 HA VAL A 97 15.877 11.106 -6.109 1.00 0.00 H new ATOM 0 HB VAL A 97 16.121 9.633 -8.764 1.00 0.00 H new ATOM 0 HG11 VAL A 97 13.775 9.010 -8.356 1.00 0.00 H new ATOM 0 HG12 VAL A 97 14.854 8.398 -7.079 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.837 9.827 -6.777 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.311 11.110 -9.543 1.00 0.00 H new ATOM 0 HG22 VAL A 97 14.397 12.014 -8.013 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.781 12.026 -9.132 1.00 0.00 H new ATOM 1442 N THR A 98 16.412 8.704 -5.387 1.00 0.00 N ATOM 1443 CA THR A 98 16.923 7.497 -4.749 1.00 0.00 C ATOM 1444 C THR A 98 15.984 6.317 -4.973 1.00 0.00 C ATOM 1445 O THR A 98 14.766 6.452 -4.861 1.00 0.00 O ATOM 1446 CB THR A 98 17.119 7.702 -3.235 1.00 0.00 C ATOM 1447 OG1 THR A 98 17.974 8.827 -3.000 1.00 0.00 O ATOM 1448 CG2 THR A 98 17.720 6.460 -2.594 1.00 0.00 C ATOM 0 H THR A 98 15.481 8.983 -5.076 1.00 0.00 H new ATOM 0 HA THR A 98 17.888 7.282 -5.207 1.00 0.00 H new ATOM 0 HB THR A 98 16.143 7.887 -2.786 1.00 0.00 H new ATOM 0 HG1 THR A 98 18.092 8.952 -2.035 1.00 0.00 H new ATOM 0 HG21 THR A 98 17.849 6.629 -1.525 1.00 0.00 H new ATOM 0 HG22 THR A 98 17.054 5.612 -2.750 1.00 0.00 H new ATOM 0 HG23 THR A 98 18.688 6.249 -3.048 1.00 0.00 H new ATOM 1456 N GLN A 99 16.560 5.161 -5.289 1.00 0.00 N ATOM 1457 CA GLN A 99 15.773 3.957 -5.529 1.00 0.00 C ATOM 1458 C GLN A 99 16.006 2.927 -4.429 1.00 0.00 C ATOM 1459 O GLN A 99 17.095 2.848 -3.858 1.00 0.00 O ATOM 1460 CB GLN A 99 16.124 3.356 -6.891 1.00 0.00 C ATOM 1461 CG GLN A 99 17.536 2.796 -6.963 1.00 0.00 C ATOM 1462 CD GLN A 99 18.579 3.874 -7.182 1.00 0.00 C ATOM 1463 OE1 GLN A 99 18.398 4.772 -8.004 1.00 0.00 O ATOM 1464 NE2 GLN A 99 19.681 3.789 -6.446 1.00 0.00 N ATOM 0 H GLN A 99 17.567 5.033 -5.385 1.00 0.00 H new ATOM 0 HA GLN A 99 14.719 4.235 -5.524 1.00 0.00 H new ATOM 0 HB2 GLN A 99 15.415 2.561 -7.122 1.00 0.00 H new ATOM 0 HB3 GLN A 99 16.006 4.121 -7.658 1.00 0.00 H new ATOM 0 HG2 GLN A 99 17.759 2.262 -6.039 1.00 0.00 H new ATOM 0 HG3 GLN A 99 17.594 2.069 -7.773 1.00 0.00 H new ATOM 0 HE21 GLN A 99 19.789 3.027 -5.776 1.00 0.00 H new ATOM 0 HE22 GLN A 99 20.419 4.485 -6.550 1.00 0.00 H new ATOM 1473 N LEU A 100 14.977 2.139 -4.136 1.00 0.00 N ATOM 1474 CA LEU A 100 15.070 1.112 -3.103 1.00 0.00 C ATOM 1475 C LEU A 100 14.835 -0.275 -3.692 1.00 0.00 C ATOM 1476 O LEU A 100 13.961 -0.463 -4.538 1.00 0.00 O ATOM 1477 CB LEU A 100 14.055 1.386 -1.992 1.00 0.00 C ATOM 1478 CG LEU A 100 14.303 0.669 -0.665 1.00 0.00 C ATOM 1479 CD1 LEU A 100 15.401 1.368 0.122 1.00 0.00 C ATOM 1480 CD2 LEU A 100 13.021 0.600 0.152 1.00 0.00 C ATOM 0 H LEU A 100 14.069 2.191 -4.598 1.00 0.00 H new ATOM 0 HA LEU A 100 16.076 1.142 -2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 100 14.034 2.459 -1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 100 13.066 1.106 -2.354 1.00 0.00 H new ATOM 0 HG LEU A 100 14.629 -0.349 -0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 100 15.564 0.844 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 100 16.323 1.365 -0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 100 15.104 2.397 0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 100 13.217 0.086 1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 100 12.665 1.610 0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 100 12.262 0.054 -0.408 1.00 0.00 H new ATOM 1492 N LYS A 101 15.621 -1.246 -3.237 1.00 0.00 N ATOM 1493 CA LYS A 101 15.497 -2.618 -3.716 1.00 0.00 C ATOM 1494 C LYS A 101 15.204 -3.572 -2.562 1.00 0.00 C ATOM 1495 O LYS A 101 15.878 -3.542 -1.532 1.00 0.00 O ATOM 1496 CB LYS A 101 16.779 -3.047 -4.433 1.00 0.00 C ATOM 1497 CG LYS A 101 16.577 -4.197 -5.404 1.00 0.00 C ATOM 1498 CD LYS A 101 17.747 -4.327 -6.365 1.00 0.00 C ATOM 1499 CE LYS A 101 17.572 -3.428 -7.579 1.00 0.00 C ATOM 1500 NZ LYS A 101 18.086 -2.053 -7.329 1.00 0.00 N ATOM 0 H LYS A 101 16.350 -1.108 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 101 14.664 -2.658 -4.418 1.00 0.00 H new ATOM 0 HB2 LYS A 101 17.186 -2.193 -4.974 1.00 0.00 H new ATOM 0 HB3 LYS A 101 17.522 -3.336 -3.690 1.00 0.00 H new ATOM 0 HG2 LYS A 101 16.456 -5.127 -4.848 1.00 0.00 H new ATOM 0 HG3 LYS A 101 15.657 -4.041 -5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 101 18.673 -4.069 -5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 101 17.840 -5.364 -6.689 1.00 0.00 H new ATOM 0 HE2 LYS A 101 18.095 -3.862 -8.431 1.00 0.00 H new ATOM 0 HE3 LYS A 101 16.516 -3.378 -7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 18.487 -1.667 -8.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 17.307 -1.444 -7.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 18.824 -2.086 -6.597 1.00 0.00 H new ATOM 1514 N LEU A 102 14.196 -4.418 -2.742 1.00 0.00 N ATOM 1515 CA LEU A 102 13.814 -5.382 -1.716 1.00 0.00 C ATOM 1516 C LEU A 102 13.882 -6.807 -2.257 1.00 0.00 C ATOM 1517 O LEU A 102 13.641 -7.047 -3.440 1.00 0.00 O ATOM 1518 CB LEU A 102 12.402 -5.084 -1.208 1.00 0.00 C ATOM 1519 CG LEU A 102 12.149 -3.654 -0.730 1.00 0.00 C ATOM 1520 CD1 LEU A 102 10.658 -3.399 -0.576 1.00 0.00 C ATOM 1521 CD2 LEU A 102 12.875 -3.394 0.583 1.00 0.00 C ATOM 0 H LEU A 102 13.628 -4.456 -3.589 1.00 0.00 H new ATOM 0 HA LEU A 102 14.517 -5.293 -0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.695 -5.309 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.182 -5.765 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 102 12.539 -2.966 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.497 -2.376 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.163 -3.543 -1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.243 -4.094 0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 102 12.684 -2.371 0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.515 -4.089 1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.946 -3.535 0.440 1.00 0.00 H new ATOM 1533 N THR A 103 14.210 -7.752 -1.381 1.00 0.00 N ATOM 1534 CA THR A 103 14.309 -9.153 -1.769 1.00 0.00 C ATOM 1535 C THR A 103 13.797 -10.068 -0.662 1.00 0.00 C ATOM 1536 O THR A 103 13.641 -9.645 0.484 1.00 0.00 O ATOM 1537 CB THR A 103 15.760 -9.541 -2.110 1.00 0.00 C ATOM 1538 OG1 THR A 103 16.402 -8.468 -2.809 1.00 0.00 O ATOM 1539 CG2 THR A 103 15.798 -10.802 -2.960 1.00 0.00 C ATOM 0 H THR A 103 14.412 -7.572 -0.398 1.00 0.00 H new ATOM 0 HA THR A 103 13.689 -9.279 -2.657 1.00 0.00 H new ATOM 0 HB THR A 103 16.290 -9.735 -1.177 1.00 0.00 H new ATOM 0 HG1 THR A 103 17.325 -8.721 -3.021 1.00 0.00 H new ATOM 0 HG21 THR A 103 16.833 -11.056 -3.188 1.00 0.00 H new ATOM 0 HG22 THR A 103 15.335 -11.623 -2.413 1.00 0.00 H new ATOM 0 HG23 THR A 103 15.253 -10.631 -3.889 1.00 0.00 H new ATOM 1547 N VAL A 104 13.539 -11.324 -1.010 1.00 0.00 N ATOM 1548 CA VAL A 104 13.047 -12.299 -0.045 1.00 0.00 C ATOM 1549 C VAL A 104 14.184 -13.155 0.501 1.00 0.00 C ATOM 1550 O VAL A 104 15.037 -13.627 -0.252 1.00 0.00 O ATOM 1551 CB VAL A 104 11.981 -13.219 -0.670 1.00 0.00 C ATOM 1552 CG1 VAL A 104 11.289 -14.043 0.405 1.00 0.00 C ATOM 1553 CG2 VAL A 104 10.971 -12.403 -1.462 1.00 0.00 C ATOM 0 H VAL A 104 13.663 -11.690 -1.954 1.00 0.00 H new ATOM 0 HA VAL A 104 12.596 -11.735 0.772 1.00 0.00 H new ATOM 0 HB VAL A 104 12.476 -13.906 -1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 104 10.540 -14.686 -0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 104 12.026 -14.657 0.923 1.00 0.00 H new ATOM 0 HG13 VAL A 104 10.805 -13.377 1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 104 10.226 -13.069 -1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 104 10.479 -11.691 -0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 104 11.484 -11.864 -2.258 1.00 0.00 H new ATOM 1563 N VAL A 105 14.192 -13.352 1.815 1.00 0.00 N ATOM 1564 CA VAL A 105 15.224 -14.152 2.463 1.00 0.00 C ATOM 1565 C VAL A 105 14.609 -15.262 3.309 1.00 0.00 C ATOM 1566 O VAL A 105 13.487 -15.133 3.798 1.00 0.00 O ATOM 1567 CB VAL A 105 16.130 -13.284 3.356 1.00 0.00 C ATOM 1568 CG1 VAL A 105 17.307 -14.097 3.873 1.00 0.00 C ATOM 1569 CG2 VAL A 105 16.612 -12.059 2.593 1.00 0.00 C ATOM 0 H VAL A 105 13.494 -12.968 2.452 1.00 0.00 H new ATOM 0 HA VAL A 105 15.826 -14.595 1.669 1.00 0.00 H new ATOM 0 HB VAL A 105 15.549 -12.945 4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 105 17.936 -13.467 4.502 1.00 0.00 H new ATOM 0 HG12 VAL A 105 16.938 -14.940 4.457 1.00 0.00 H new ATOM 0 HG13 VAL A 105 17.891 -14.467 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 105 17.251 -11.456 3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 105 17.177 -12.375 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 105 15.754 -11.466 2.277 1.00 0.00 H new ATOM 1659 N ARG A 112 8.972 -16.662 3.468 1.00 0.00 N ATOM 1660 CA ARG A 112 8.834 -16.417 2.037 1.00 0.00 C ATOM 1661 C ARG A 112 7.381 -16.127 1.672 1.00 0.00 C ATOM 1662 O ARG A 112 7.101 -15.282 0.822 1.00 0.00 O ATOM 1663 CB ARG A 112 9.340 -17.622 1.241 1.00 0.00 C ATOM 1664 CG ARG A 112 9.909 -17.256 -0.121 1.00 0.00 C ATOM 1665 CD ARG A 112 8.809 -17.097 -1.159 1.00 0.00 C ATOM 1666 NE ARG A 112 8.486 -18.362 -1.813 1.00 0.00 N ATOM 1667 CZ ARG A 112 9.202 -18.879 -2.805 1.00 0.00 C ATOM 1668 NH1 ARG A 112 10.275 -18.244 -3.255 1.00 0.00 N ATOM 1669 NH2 ARG A 112 8.844 -20.035 -3.350 1.00 0.00 N ATOM 0 HA ARG A 112 9.435 -15.544 1.784 1.00 0.00 H new ATOM 0 HB2 ARG A 112 10.108 -18.133 1.821 1.00 0.00 H new ATOM 0 HB3 ARG A 112 8.520 -18.328 1.105 1.00 0.00 H new ATOM 0 HG2 ARG A 112 10.474 -16.327 -0.043 1.00 0.00 H new ATOM 0 HG3 ARG A 112 10.607 -18.028 -0.444 1.00 0.00 H new ATOM 0 HD2 ARG A 112 7.915 -16.697 -0.681 1.00 0.00 H new ATOM 0 HD3 ARG A 112 9.121 -16.370 -1.909 1.00 0.00 H new ATOM 0 HE ARG A 112 7.666 -18.876 -1.491 1.00 0.00 H new ATOM 0 HH11 ARG A 112 10.553 -17.355 -2.839 1.00 0.00 H new ATOM 0 HH12 ARG A 112 10.822 -18.644 -4.017 1.00 0.00 H new ATOM 0 HH21 ARG A 112 8.019 -20.527 -3.007 1.00 0.00 H new ATOM 0 HH22 ARG A 112 9.394 -20.432 -4.112 1.00 0.00 H new ATOM 1683 N ARG A 113 6.461 -16.834 2.321 1.00 0.00 N ATOM 1684 CA ARG A 113 5.038 -16.654 2.063 1.00 0.00 C ATOM 1685 C ARG A 113 4.594 -15.241 2.430 1.00 0.00 C ATOM 1686 O ARG A 113 3.832 -14.610 1.698 1.00 0.00 O ATOM 1687 CB ARG A 113 4.221 -17.678 2.854 1.00 0.00 C ATOM 1688 CG ARG A 113 4.091 -19.022 2.157 1.00 0.00 C ATOM 1689 CD ARG A 113 5.271 -19.929 2.469 1.00 0.00 C ATOM 1690 NE ARG A 113 5.043 -20.729 3.669 1.00 0.00 N ATOM 1691 CZ ARG A 113 4.264 -21.805 3.698 1.00 0.00 C ATOM 1692 NH1 ARG A 113 3.642 -22.207 2.599 1.00 0.00 N ATOM 1693 NH2 ARG A 113 4.107 -22.481 4.829 1.00 0.00 N ATOM 0 H ARG A 113 6.676 -17.536 3.029 1.00 0.00 H new ATOM 0 HA ARG A 113 4.865 -16.806 0.998 1.00 0.00 H new ATOM 0 HB2 ARG A 113 4.686 -17.827 3.828 1.00 0.00 H new ATOM 0 HB3 ARG A 113 3.225 -17.274 3.035 1.00 0.00 H new ATOM 0 HG2 ARG A 113 3.166 -19.507 2.469 1.00 0.00 H new ATOM 0 HG3 ARG A 113 4.023 -18.869 1.080 1.00 0.00 H new ATOM 0 HD2 ARG A 113 5.454 -20.590 1.622 1.00 0.00 H new ATOM 0 HD3 ARG A 113 6.168 -19.324 2.601 1.00 0.00 H new ATOM 0 HE ARG A 113 5.507 -20.446 4.532 1.00 0.00 H new ATOM 0 HH11 ARG A 113 3.761 -21.690 1.728 1.00 0.00 H new ATOM 0 HH12 ARG A 113 3.045 -23.033 2.624 1.00 0.00 H new ATOM 0 HH21 ARG A 113 4.584 -22.175 5.677 1.00 0.00 H new ATOM 0 HH22 ARG A 113 3.509 -23.307 4.851 1.00 0.00 H new ATOM 1707 N GLN A 114 5.075 -14.751 3.568 1.00 0.00 N ATOM 1708 CA GLN A 114 4.727 -13.414 4.032 1.00 0.00 C ATOM 1709 C GLN A 114 5.377 -12.347 3.157 1.00 0.00 C ATOM 1710 O GLN A 114 4.697 -11.477 2.614 1.00 0.00 O ATOM 1711 CB GLN A 114 5.158 -13.227 5.488 1.00 0.00 C ATOM 1712 CG GLN A 114 4.080 -13.601 6.494 1.00 0.00 C ATOM 1713 CD GLN A 114 2.713 -13.071 6.108 1.00 0.00 C ATOM 1714 OE1 GLN A 114 1.908 -13.780 5.503 1.00 0.00 O ATOM 1715 NE2 GLN A 114 2.443 -11.819 6.457 1.00 0.00 N ATOM 0 H GLN A 114 5.707 -15.260 4.186 1.00 0.00 H new ATOM 0 HA GLN A 114 3.645 -13.305 3.964 1.00 0.00 H new ATOM 0 HB2 GLN A 114 6.045 -13.832 5.676 1.00 0.00 H new ATOM 0 HB3 GLN A 114 5.443 -12.186 5.643 1.00 0.00 H new ATOM 0 HG2 GLN A 114 4.033 -14.686 6.584 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.353 -13.212 7.475 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.140 -11.268 6.958 1.00 0.00 H new ATOM 0 HE22 GLN A 114 1.539 -11.408 6.225 1.00 0.00 H new ATOM 1724 N ALA A 115 6.697 -12.421 3.024 1.00 0.00 N ATOM 1725 CA ALA A 115 7.439 -11.463 2.214 1.00 0.00 C ATOM 1726 C ALA A 115 6.799 -11.296 0.839 1.00 0.00 C ATOM 1727 O ALA A 115 6.274 -10.232 0.513 1.00 0.00 O ATOM 1728 CB ALA A 115 8.889 -11.902 2.073 1.00 0.00 C ATOM 0 H ALA A 115 7.275 -13.135 3.467 1.00 0.00 H new ATOM 0 HA ALA A 115 7.411 -10.498 2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 115 9.431 -11.177 1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 115 9.348 -11.964 3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 115 8.928 -12.880 1.592 1.00 0.00 H new ATOM 1734 N VAL A 116 6.848 -12.355 0.037 1.00 0.00 N ATOM 1735 CA VAL A 116 6.272 -12.325 -1.303 1.00 0.00 C ATOM 1736 C VAL A 116 4.856 -11.761 -1.281 1.00 0.00 C ATOM 1737 O VAL A 116 4.476 -10.975 -2.148 1.00 0.00 O ATOM 1738 CB VAL A 116 6.244 -13.730 -1.933 1.00 0.00 C ATOM 1739 CG1 VAL A 116 5.590 -13.687 -3.306 1.00 0.00 C ATOM 1740 CG2 VAL A 116 7.650 -14.303 -2.021 1.00 0.00 C ATOM 0 H VAL A 116 7.280 -13.243 0.291 1.00 0.00 H new ATOM 0 HA VAL A 116 6.908 -11.677 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 116 5.650 -14.383 -1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.579 -14.689 -3.735 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.567 -13.322 -3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 116 6.154 -13.019 -3.957 1.00 0.00 H new ATOM 0 HG21 VAL A 116 7.611 -15.296 -2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 116 8.270 -13.652 -2.637 1.00 0.00 H new ATOM 0 HG23 VAL A 116 8.078 -14.372 -1.021 1.00 0.00 H new ATOM 1750 N ALA A 117 4.079 -12.167 -0.282 1.00 0.00 N ATOM 1751 CA ALA A 117 2.705 -11.701 -0.145 1.00 0.00 C ATOM 1752 C ALA A 117 2.661 -10.209 0.169 1.00 0.00 C ATOM 1753 O ALA A 117 1.743 -9.504 -0.251 1.00 0.00 O ATOM 1754 CB ALA A 117 1.985 -12.491 0.937 1.00 0.00 C ATOM 0 H ALA A 117 4.378 -12.818 0.444 1.00 0.00 H new ATOM 0 HA ALA A 117 2.196 -11.861 -1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.960 -12.132 1.028 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.977 -13.548 0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.501 -12.360 1.888 1.00 0.00 H new ATOM 1760 N TRP A 118 3.656 -9.735 0.910 1.00 0.00 N ATOM 1761 CA TRP A 118 3.730 -8.326 1.280 1.00 0.00 C ATOM 1762 C TRP A 118 3.998 -7.455 0.058 1.00 0.00 C ATOM 1763 O TRP A 118 3.368 -6.413 -0.125 1.00 0.00 O ATOM 1764 CB TRP A 118 4.824 -8.110 2.326 1.00 0.00 C ATOM 1765 CG TRP A 118 4.878 -6.705 2.846 1.00 0.00 C ATOM 1766 CD1 TRP A 118 4.409 -6.257 4.048 1.00 0.00 C ATOM 1767 CD2 TRP A 118 5.432 -5.565 2.179 1.00 0.00 C ATOM 1768 NE1 TRP A 118 4.638 -4.907 4.168 1.00 0.00 N ATOM 1769 CE2 TRP A 118 5.265 -4.459 3.035 1.00 0.00 C ATOM 1770 CE3 TRP A 118 6.055 -5.372 0.943 1.00 0.00 C ATOM 1771 CZ2 TRP A 118 5.697 -3.181 2.693 1.00 0.00 C ATOM 1772 CZ3 TRP A 118 6.482 -4.102 0.604 1.00 0.00 C ATOM 1773 CH2 TRP A 118 6.303 -3.020 1.476 1.00 0.00 C ATOM 0 H TRP A 118 4.423 -10.305 1.267 1.00 0.00 H new ATOM 0 HA TRP A 118 2.769 -8.036 1.704 1.00 0.00 H new ATOM 0 HB2 TRP A 118 4.660 -8.793 3.160 1.00 0.00 H new ATOM 0 HB3 TRP A 118 5.790 -8.366 1.890 1.00 0.00 H new ATOM 0 HD1 TRP A 118 3.929 -6.873 4.794 1.00 0.00 H new ATOM 0 HE1 TRP A 118 4.383 -4.332 4.971 1.00 0.00 H new ATOM 0 HE3 TRP A 118 6.200 -6.200 0.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 5.559 -2.346 3.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 6.962 -3.941 -0.350 1.00 0.00 H new ATOM 0 HH2 TRP A 118 6.650 -2.040 1.182 1.00 0.00 H new ATOM 1784 N LEU A 119 4.936 -7.889 -0.777 1.00 0.00 N ATOM 1785 CA LEU A 119 5.288 -7.148 -1.984 1.00 0.00 C ATOM 1786 C LEU A 119 4.080 -7.003 -2.905 1.00 0.00 C ATOM 1787 O LEU A 119 3.634 -5.892 -3.190 1.00 0.00 O ATOM 1788 CB LEU A 119 6.427 -7.850 -2.724 1.00 0.00 C ATOM 1789 CG LEU A 119 7.681 -8.145 -1.901 1.00 0.00 C ATOM 1790 CD1 LEU A 119 8.570 -9.147 -2.621 1.00 0.00 C ATOM 1791 CD2 LEU A 119 8.445 -6.860 -1.615 1.00 0.00 C ATOM 0 H LEU A 119 5.466 -8.750 -0.641 1.00 0.00 H new ATOM 0 HA LEU A 119 5.617 -6.152 -1.686 1.00 0.00 H new ATOM 0 HB2 LEU A 119 6.049 -8.791 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 119 6.713 -7.235 -3.577 1.00 0.00 H new ATOM 0 HG LEU A 119 7.374 -8.581 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.457 -9.344 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 119 8.021 -10.076 -2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 119 8.869 -8.740 -3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 119 9.335 -7.089 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 119 8.740 -6.395 -2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 119 7.808 -6.175 -1.056 1.00 0.00 H new ATOM 1803 N VAL A 120 3.555 -8.133 -3.366 1.00 0.00 N ATOM 1804 CA VAL A 120 2.398 -8.133 -4.253 1.00 0.00 C ATOM 1805 C VAL A 120 1.296 -7.225 -3.718 1.00 0.00 C ATOM 1806 O VAL A 120 0.706 -6.443 -4.462 1.00 0.00 O ATOM 1807 CB VAL A 120 1.832 -9.554 -4.437 1.00 0.00 C ATOM 1808 CG1 VAL A 120 1.438 -10.151 -3.095 1.00 0.00 C ATOM 1809 CG2 VAL A 120 0.646 -9.535 -5.390 1.00 0.00 C ATOM 0 H VAL A 120 3.913 -9.061 -3.140 1.00 0.00 H new ATOM 0 HA VAL A 120 2.739 -7.757 -5.218 1.00 0.00 H new ATOM 0 HB VAL A 120 2.609 -10.182 -4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.041 -11.155 -3.246 1.00 0.00 H new ATOM 0 HG12 VAL A 120 2.314 -10.201 -2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.677 -9.526 -2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 120 0.258 -10.547 -5.509 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -0.136 -8.892 -4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 120 0.965 -9.152 -6.360 1.00 0.00 H new ATOM 1819 N ALA A 121 1.025 -7.334 -2.421 1.00 0.00 N ATOM 1820 CA ALA A 121 -0.004 -6.521 -1.785 1.00 0.00 C ATOM 1821 C ALA A 121 0.377 -5.044 -1.798 1.00 0.00 C ATOM 1822 O ALA A 121 -0.459 -4.180 -2.059 1.00 0.00 O ATOM 1823 CB ALA A 121 -0.244 -6.993 -0.359 1.00 0.00 C ATOM 0 H ALA A 121 1.504 -7.977 -1.791 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.926 -6.637 -2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -1.015 -6.377 0.103 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -0.569 -8.033 -0.370 1.00 0.00 H new ATOM 0 HB3 ALA A 121 0.680 -6.908 0.213 1.00 0.00 H new ATOM 1829 N MET A 122 1.645 -4.763 -1.514 1.00 0.00 N ATOM 1830 CA MET A 122 2.136 -3.390 -1.494 1.00 0.00 C ATOM 1831 C MET A 122 1.755 -2.657 -2.776 1.00 0.00 C ATOM 1832 O MET A 122 1.195 -1.561 -2.734 1.00 0.00 O ATOM 1833 CB MET A 122 3.655 -3.372 -1.315 1.00 0.00 C ATOM 1834 CG MET A 122 4.232 -1.975 -1.155 1.00 0.00 C ATOM 1835 SD MET A 122 3.683 -1.166 0.361 1.00 0.00 S ATOM 1836 CE MET A 122 3.189 0.436 -0.270 1.00 0.00 C ATOM 0 H MET A 122 2.350 -5.467 -1.295 1.00 0.00 H new ATOM 0 HA MET A 122 1.672 -2.877 -0.652 1.00 0.00 H new ATOM 0 HB2 MET A 122 3.916 -3.967 -0.440 1.00 0.00 H new ATOM 0 HB3 MET A 122 4.120 -3.852 -2.176 1.00 0.00 H new ATOM 0 HG2 MET A 122 5.320 -2.033 -1.158 1.00 0.00 H new ATOM 0 HG3 MET A 122 3.943 -1.366 -2.012 1.00 0.00 H new ATOM 0 HE1 MET A 122 2.825 1.054 0.551 1.00 0.00 H new ATOM 0 HE2 MET A 122 4.045 0.922 -0.738 1.00 0.00 H new ATOM 0 HE3 MET A 122 2.396 0.308 -1.007 1.00 0.00 H new ATOM 1846 N HIS A 123 2.062 -3.268 -3.916 1.00 0.00 N ATOM 1847 CA HIS A 123 1.752 -2.673 -5.211 1.00 0.00 C ATOM 1848 C HIS A 123 0.243 -2.582 -5.418 1.00 0.00 C ATOM 1849 O HIS A 123 -0.307 -1.492 -5.582 1.00 0.00 O ATOM 1850 CB HIS A 123 2.384 -3.492 -6.337 1.00 0.00 C ATOM 1851 CG HIS A 123 2.218 -2.876 -7.692 1.00 0.00 C ATOM 1852 ND1 HIS A 123 0.989 -2.541 -8.220 1.00 0.00 N ATOM 1853 CD2 HIS A 123 3.134 -2.531 -8.626 1.00 0.00 C ATOM 1854 CE1 HIS A 123 1.156 -2.020 -9.423 1.00 0.00 C ATOM 1855 NE2 HIS A 123 2.449 -2.002 -9.693 1.00 0.00 N ATOM 0 H HIS A 123 2.525 -4.175 -3.969 1.00 0.00 H new ATOM 0 HA HIS A 123 2.166 -1.665 -5.229 1.00 0.00 H new ATOM 0 HB2 HIS A 123 3.447 -3.617 -6.132 1.00 0.00 H new ATOM 0 HB3 HIS A 123 1.941 -4.488 -6.343 1.00 0.00 H new ATOM 0 HD2 HIS A 123 4.205 -2.649 -8.547 1.00 0.00 H new ATOM 0 HE1 HIS A 123 0.369 -1.669 -10.074 1.00 0.00 H new ATOM 0 HE2 HIS A 123 2.870 -1.652 -10.554 1.00 0.00 H new ATOM 1863 N LYS A 124 -0.422 -3.732 -5.411 1.00 0.00 N ATOM 1864 CA LYS A 124 -1.867 -3.783 -5.598 1.00 0.00 C ATOM 1865 C LYS A 124 -2.552 -2.640 -4.856 1.00 0.00 C ATOM 1866 O LYS A 124 -3.399 -1.945 -5.415 1.00 0.00 O ATOM 1867 CB LYS A 124 -2.418 -5.125 -5.110 1.00 0.00 C ATOM 1868 CG LYS A 124 -2.524 -6.173 -6.205 1.00 0.00 C ATOM 1869 CD LYS A 124 -2.251 -7.568 -5.669 1.00 0.00 C ATOM 1870 CE LYS A 124 -3.529 -8.242 -5.191 1.00 0.00 C ATOM 1871 NZ LYS A 124 -3.828 -7.917 -3.769 1.00 0.00 N ATOM 0 H LYS A 124 0.018 -4.643 -5.278 1.00 0.00 H new ATOM 0 HA LYS A 124 -2.075 -3.678 -6.663 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -1.775 -5.505 -4.316 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -3.404 -4.966 -4.674 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -3.520 -6.140 -6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -1.815 -5.943 -7.000 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -1.788 -8.174 -6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -1.539 -7.510 -4.846 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -4.363 -7.927 -5.819 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -3.435 -9.322 -5.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -4.706 -8.395 -3.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -3.044 -8.240 -3.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -3.943 -6.889 -3.665 1.00 0.00 H new ATOM 1885 N ALA A 125 -2.178 -2.451 -3.595 1.00 0.00 N ATOM 1886 CA ALA A 125 -2.754 -1.390 -2.778 1.00 0.00 C ATOM 1887 C ALA A 125 -2.263 -0.020 -3.233 1.00 0.00 C ATOM 1888 O ALA A 125 -3.033 0.939 -3.288 1.00 0.00 O ATOM 1889 CB ALA A 125 -2.419 -1.613 -1.311 1.00 0.00 C ATOM 0 H ALA A 125 -1.479 -3.019 -3.117 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.837 -1.418 -2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -2.855 -0.813 -0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -2.824 -2.571 -0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -1.337 -1.614 -1.181 1.00 0.00 H new ATOM 1895 N ALA A 126 -0.977 0.066 -3.556 1.00 0.00 N ATOM 1896 CA ALA A 126 -0.384 1.319 -4.007 1.00 0.00 C ATOM 1897 C ALA A 126 -1.189 1.927 -5.151 1.00 0.00 C ATOM 1898 O ALA A 126 -1.353 3.144 -5.230 1.00 0.00 O ATOM 1899 CB ALA A 126 1.059 1.097 -4.434 1.00 0.00 C ATOM 0 H ALA A 126 -0.325 -0.718 -3.514 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.400 2.021 -3.173 1.00 0.00 H new ATOM 0 HB1 ALA A 126 1.489 2.041 -4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.634 0.715 -3.590 1.00 0.00 H new ATOM 0 HB3 ALA A 126 1.090 0.375 -5.250 1.00 0.00 H new ATOM 1905 N LYS A 127 -1.688 1.071 -6.037 1.00 0.00 N ATOM 1906 CA LYS A 127 -2.476 1.523 -7.177 1.00 0.00 C ATOM 1907 C LYS A 127 -3.784 2.160 -6.717 1.00 0.00 C ATOM 1908 O LYS A 127 -4.325 3.043 -7.384 1.00 0.00 O ATOM 1909 CB LYS A 127 -2.771 0.350 -8.116 1.00 0.00 C ATOM 1910 CG LYS A 127 -1.566 -0.098 -8.925 1.00 0.00 C ATOM 1911 CD LYS A 127 -1.189 0.928 -9.980 1.00 0.00 C ATOM 1912 CE LYS A 127 -1.899 0.661 -11.297 1.00 0.00 C ATOM 1913 NZ LYS A 127 -3.195 1.389 -11.387 1.00 0.00 N ATOM 0 H LYS A 127 -1.560 0.060 -5.987 1.00 0.00 H new ATOM 0 HA LYS A 127 -1.895 2.274 -7.713 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -3.137 -0.492 -7.528 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -3.572 0.634 -8.799 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -0.720 -0.263 -8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -1.784 -1.052 -9.405 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -1.443 1.927 -9.625 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.111 0.910 -10.137 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -1.256 0.962 -12.124 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -2.076 -0.409 -11.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -3.970 0.705 -11.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -3.346 1.937 -10.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -3.175 2.034 -12.203 1.00 0.00 H new ATOM 1927 N LEU A 128 -4.286 1.708 -5.573 1.00 0.00 N ATOM 1928 CA LEU A 128 -5.530 2.235 -5.022 1.00 0.00 C ATOM 1929 C LEU A 128 -5.292 3.567 -4.318 1.00 0.00 C ATOM 1930 O LEU A 128 -6.160 4.441 -4.311 1.00 0.00 O ATOM 1931 CB LEU A 128 -6.144 1.231 -4.045 1.00 0.00 C ATOM 1932 CG LEU A 128 -7.112 0.214 -4.648 1.00 0.00 C ATOM 1933 CD1 LEU A 128 -7.401 -0.902 -3.656 1.00 0.00 C ATOM 1934 CD2 LEU A 128 -8.403 0.895 -5.077 1.00 0.00 C ATOM 0 H LEU A 128 -3.851 0.978 -5.009 1.00 0.00 H new ATOM 0 HA LEU A 128 -6.223 2.400 -5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.335 0.687 -3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -6.669 1.786 -3.267 1.00 0.00 H new ATOM 0 HG LEU A 128 -6.645 -0.224 -5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -8.092 -1.616 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -6.471 -1.409 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -7.847 -0.481 -2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -9.080 0.155 -5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -8.874 1.361 -4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -8.181 1.658 -5.824 1.00 0.00 H new ATOM 1946 N LEU A 129 -4.111 3.717 -3.730 1.00 0.00 N ATOM 1947 CA LEU A 129 -3.757 4.944 -3.025 1.00 0.00 C ATOM 1948 C LEU A 129 -3.797 6.144 -3.966 1.00 0.00 C ATOM 1949 O LEU A 129 -4.562 7.085 -3.755 1.00 0.00 O ATOM 1950 CB LEU A 129 -2.365 4.815 -2.403 1.00 0.00 C ATOM 1951 CG LEU A 129 -2.313 4.249 -0.984 1.00 0.00 C ATOM 1952 CD1 LEU A 129 -0.872 4.080 -0.529 1.00 0.00 C ATOM 1953 CD2 LEU A 129 -3.076 5.148 -0.023 1.00 0.00 C ATOM 0 H LEU A 129 -3.382 3.004 -3.727 1.00 0.00 H new ATOM 0 HA LEU A 129 -4.489 5.103 -2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -1.758 4.180 -3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -1.899 5.800 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 129 -2.788 3.268 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.855 3.676 0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -0.356 3.395 -1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -0.371 5.048 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -3.028 4.729 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -2.630 6.143 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -4.117 5.217 -0.338 1.00 0.00 H new ATOM 1965 N TYR A 130 -2.971 6.102 -5.005 1.00 0.00 N ATOM 1966 CA TYR A 130 -2.912 7.186 -5.979 1.00 0.00 C ATOM 1967 C TYR A 130 -4.116 7.143 -6.915 1.00 0.00 C ATOM 1968 O TYR A 130 -4.848 8.123 -7.047 1.00 0.00 O ATOM 1969 CB TYR A 130 -1.618 7.101 -6.790 1.00 0.00 C ATOM 1970 CG TYR A 130 -0.435 6.602 -5.992 1.00 0.00 C ATOM 1971 CD1 TYR A 130 -0.251 6.987 -4.670 1.00 0.00 C ATOM 1972 CD2 TYR A 130 0.499 5.744 -6.560 1.00 0.00 C ATOM 1973 CE1 TYR A 130 0.829 6.534 -3.937 1.00 0.00 C ATOM 1974 CE2 TYR A 130 1.581 5.285 -5.835 1.00 0.00 C ATOM 1975 CZ TYR A 130 1.742 5.683 -4.524 1.00 0.00 C ATOM 1976 OH TYR A 130 2.819 5.228 -3.797 1.00 0.00 O ATOM 0 H TYR A 130 -2.333 5.329 -5.195 1.00 0.00 H new ATOM 0 HA TYR A 130 -2.931 8.131 -5.435 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -1.776 6.440 -7.642 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -1.385 8.087 -7.191 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -0.965 7.652 -4.207 1.00 0.00 H new ATOM 0 HD2 TYR A 130 0.377 5.431 -7.586 1.00 0.00 H new ATOM 0 HE1 TYR A 130 0.958 6.844 -2.911 1.00 0.00 H new ATOM 0 HE2 TYR A 130 2.297 4.618 -6.292 1.00 0.00 H new ATOM 0 HH TYR A 130 3.642 5.366 -4.311 1.00 0.00 H new