USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 867 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 108 CYS SG : rot 75:sc= -0.444 USER MOD Set 1.2: A 121 MET CE :methyl -170:sc= -4.3! (180deg=-4.59!) USER MOD Set 2.1: A 49 LYS NZ :NH3+ 145:sc= -0.1 (180deg=-0.563) USER MOD Set 2.2: A 59 LYS NZ :NH3+ -113:sc= -0.0554 (180deg=-0.269) USER MOD Set 3.1: A 23 ASN : amide:sc= -1.94! K(o=-1.1!,f=-2.9) USER MOD Set 3.2: A 24 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 26 THR OG1 : rot 70:sc= 0.805 USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= -0.0282 (180deg=-0.234) USER MOD Single : A 17 LYS NZ :NH3+ 145:sc= -3.06! (180deg=-5.9!) USER MOD Single : A 18 MET CE :methyl -145:sc= -0.331 (180deg=-1.55!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -171:sc= -1.86 (180deg=-2.23) USER MOD Single : A 37 LYS NZ :NH3+ -178:sc= 0.126 (180deg=0.0607) USER MOD Single : A 41 SER OG : rot -130:sc= -0.065 USER MOD Single : A 44 MET CE :methyl -169:sc= -0.0145 (180deg=-0.269) USER MOD Single : A 46 SER OG : rot -25:sc= 0.0911 USER MOD Single : A 52 MET CE :methyl -136:sc= -0.265 (180deg=-2.87!) USER MOD Single : A 60 SER OG : rot 74:sc= 1.26 USER MOD Single : A 62 THR OG1 : rot 180:sc= -3.73! USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -114:sc= -3.75! USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 98:sc= 1.41 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -7.41! C(o=-7.4!,f=-13!) USER MOD Single : A 106 GLN :FLIP amide:sc= -1.04 F(o=-1.6!,f=-1) USER MOD Single : A 109 LYS NZ :NH3+ -167:sc= -0.037 (180deg=-0.233) USER MOD Single : A 117 HIS : no HD1:sc= -0.0814 X(o=-0.081,f=-0.57) USER MOD Single : A 123 LYS NZ :NH3+ -140:sc= -0.658 (180deg=-3.23!) USER MOD Single : A 127 GLN :FLIP amide:sc= -3.76! C(o=-7!,f=-3.8!) USER MOD Single : A 129 ASN :FLIP amide:sc= -3.75! C(o=-11!,f=-3.7!) USER MOD Single : A 132 GLN : amide:sc= -2.13! C(o=-2.1!,f=-2.4!) USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 MET CE :methyl -130:sc= -0.157 (180deg=-0.831) USER MOD Single : A 142 MET CE :methyl 159:sc= -0.0798 (180deg=-0.552) USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 12 1.776 -12.133 5.331 1.00 0.00 N ATOM 161 CA LEU A 12 1.410 -10.749 5.602 1.00 0.00 C ATOM 162 C LEU A 12 2.429 -9.794 5.002 1.00 0.00 C ATOM 163 O LEU A 12 2.077 -8.707 4.553 1.00 0.00 O ATOM 164 CB LEU A 12 1.299 -10.518 7.110 1.00 0.00 C ATOM 165 CG LEU A 12 0.192 -11.307 7.813 1.00 0.00 C ATOM 166 CD1 LEU A 12 0.218 -11.043 9.311 1.00 0.00 C ATOM 167 CD2 LEU A 12 -1.170 -10.952 7.232 1.00 0.00 C ATOM 0 HA LEU A 12 0.442 -10.555 5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.253 -10.773 7.571 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.133 -9.455 7.287 1.00 0.00 H new ATOM 0 HG LEU A 12 0.369 -12.370 7.647 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.576 -11.612 9.795 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.182 -11.348 9.717 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.066 -9.980 9.496 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.944 -11.523 7.745 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.356 -9.886 7.366 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.186 -11.192 6.169 1.00 0.00 H new ATOM 179 N LYS A 13 3.693 -10.208 4.983 1.00 0.00 N ATOM 180 CA LYS A 13 4.743 -9.379 4.411 1.00 0.00 C ATOM 181 C LYS A 13 4.489 -9.213 2.920 1.00 0.00 C ATOM 182 O LYS A 13 4.438 -8.095 2.402 1.00 0.00 O ATOM 183 CB LYS A 13 6.118 -10.001 4.654 1.00 0.00 C ATOM 184 CG LYS A 13 7.267 -9.154 4.134 1.00 0.00 C ATOM 185 CD LYS A 13 8.613 -9.790 4.446 1.00 0.00 C ATOM 186 CE LYS A 13 9.763 -8.940 3.932 1.00 0.00 C ATOM 187 NZ LYS A 13 9.693 -8.743 2.457 1.00 0.00 N ATOM 0 H LYS A 13 4.010 -11.104 5.354 1.00 0.00 H new ATOM 0 HA LYS A 13 4.731 -8.401 4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.251 -10.162 5.724 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.154 -10.980 4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.166 -9.024 3.057 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.220 -8.161 4.581 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.712 -9.925 5.523 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.662 -10.781 3.995 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.748 -7.970 4.429 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.709 -9.415 4.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.601 -8.370 2.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.495 -9.653 1.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.934 -8.068 2.233 1.00 0.00 H new ATOM 201 N GLU A 14 4.291 -10.341 2.243 1.00 0.00 N ATOM 202 CA GLU A 14 3.997 -10.330 0.820 1.00 0.00 C ATOM 203 C GLU A 14 2.648 -9.667 0.594 1.00 0.00 C ATOM 204 O GLU A 14 2.333 -9.225 -0.511 1.00 0.00 O ATOM 205 CB GLU A 14 3.989 -11.756 0.262 1.00 0.00 C ATOM 206 CG GLU A 14 3.715 -11.826 -1.233 1.00 0.00 C ATOM 207 CD GLU A 14 3.722 -13.248 -1.762 1.00 0.00 C ATOM 208 OE1 GLU A 14 3.948 -14.180 -0.962 1.00 0.00 O ATOM 209 OE2 GLU A 14 3.505 -13.428 -2.978 1.00 0.00 O ATOM 0 H GLU A 14 4.330 -11.271 2.660 1.00 0.00 H new ATOM 0 HA GLU A 14 4.770 -9.767 0.298 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.952 -12.223 0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.233 -12.339 0.789 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.748 -11.369 -1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.466 -11.241 -1.764 1.00 0.00 H new ATOM 216 N LEU A 15 1.861 -9.588 1.667 1.00 0.00 N ATOM 217 CA LEU A 15 0.549 -8.964 1.607 1.00 0.00 C ATOM 218 C LEU A 15 0.695 -7.458 1.679 1.00 0.00 C ATOM 219 O LEU A 15 0.020 -6.714 0.969 1.00 0.00 O ATOM 220 CB LEU A 15 -0.333 -9.450 2.748 1.00 0.00 C ATOM 221 CG LEU A 15 -1.819 -9.528 2.411 1.00 0.00 C ATOM 222 CD1 LEU A 15 -2.385 -8.159 2.067 1.00 0.00 C ATOM 223 CD2 LEU A 15 -2.022 -10.490 1.261 1.00 0.00 C ATOM 0 H LEU A 15 2.114 -9.950 2.586 1.00 0.00 H new ATOM 0 HA LEU A 15 0.078 -9.240 0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.008 -10.437 3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.201 -8.784 3.601 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.355 -9.890 3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.445 -8.252 1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.259 -7.489 2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.857 -7.753 1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.083 -10.548 1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.469 -10.138 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.661 -11.478 1.545 1.00 0.00 H new ATOM 235 N PHE A 16 1.604 -7.017 2.532 1.00 0.00 N ATOM 236 CA PHE A 16 1.871 -5.605 2.683 1.00 0.00 C ATOM 237 C PHE A 16 2.270 -5.027 1.340 1.00 0.00 C ATOM 238 O PHE A 16 1.807 -3.959 0.937 1.00 0.00 O ATOM 239 CB PHE A 16 3.002 -5.385 3.675 1.00 0.00 C ATOM 240 CG PHE A 16 3.630 -4.030 3.525 1.00 0.00 C ATOM 241 CD1 PHE A 16 2.873 -2.886 3.706 1.00 0.00 C ATOM 242 CD2 PHE A 16 4.961 -3.900 3.164 1.00 0.00 C ATOM 243 CE1 PHE A 16 3.427 -1.637 3.528 1.00 0.00 C ATOM 244 CE2 PHE A 16 5.524 -2.650 2.993 1.00 0.00 C ATOM 245 CZ PHE A 16 4.753 -1.517 3.171 1.00 0.00 C ATOM 0 H PHE A 16 2.168 -7.621 3.130 1.00 0.00 H new ATOM 0 HA PHE A 16 0.972 -5.112 3.053 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.620 -5.497 4.690 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.762 -6.154 3.534 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.835 -2.973 3.990 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.564 -4.784 3.015 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.823 -0.753 3.668 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.565 -2.558 2.721 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.189 -0.539 3.031 1.00 0.00 H new ATOM 255 N LYS A 17 3.127 -5.762 0.649 1.00 0.00 N ATOM 256 CA LYS A 17 3.595 -5.356 -0.657 1.00 0.00 C ATOM 257 C LYS A 17 2.558 -5.742 -1.689 1.00 0.00 C ATOM 258 O LYS A 17 2.590 -5.275 -2.828 1.00 0.00 O ATOM 259 CB LYS A 17 4.948 -5.991 -0.973 1.00 0.00 C ATOM 260 CG LYS A 17 4.933 -7.511 -0.945 1.00 0.00 C ATOM 261 CD LYS A 17 6.296 -8.105 -1.280 1.00 0.00 C ATOM 262 CE LYS A 17 6.677 -7.885 -2.738 1.00 0.00 C ATOM 263 NZ LYS A 17 6.946 -6.451 -3.043 1.00 0.00 N ATOM 0 H LYS A 17 3.512 -6.648 0.978 1.00 0.00 H new ATOM 0 HA LYS A 17 3.735 -4.275 -0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.274 -5.658 -1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.685 -5.631 -0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.623 -7.852 0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.193 -7.879 -1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.054 -7.657 -0.637 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.287 -9.174 -1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.562 -8.476 -2.973 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.873 -8.246 -3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.708 -6.383 -3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.084 -6.009 -3.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.234 -5.959 -2.173 1.00 0.00 H new ATOM 277 N MET A 18 1.606 -6.571 -1.264 1.00 0.00 N ATOM 278 CA MET A 18 0.533 -6.979 -2.141 1.00 0.00 C ATOM 279 C MET A 18 -0.336 -5.773 -2.421 1.00 0.00 C ATOM 280 O MET A 18 -0.724 -5.527 -3.563 1.00 0.00 O ATOM 281 CB MET A 18 -0.283 -8.121 -1.526 1.00 0.00 C ATOM 282 CG MET A 18 -1.775 -8.012 -1.784 1.00 0.00 C ATOM 283 SD MET A 18 -2.576 -9.620 -1.885 1.00 0.00 S ATOM 284 CE MET A 18 -1.729 -10.295 -3.308 1.00 0.00 C ATOM 0 H MET A 18 1.564 -6.965 -0.324 1.00 0.00 H new ATOM 0 HA MET A 18 0.946 -7.359 -3.075 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.077 -9.069 -1.925 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.110 -8.141 -0.450 1.00 0.00 H new ATOM 0 HG2 MET A 18 -2.237 -7.429 -0.987 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.941 -7.468 -2.714 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.419 -10.913 -3.883 1.00 0.00 H new ATOM 0 HE2 MET A 18 -1.363 -9.481 -3.934 1.00 0.00 H new ATOM 0 HE3 MET A 18 -0.888 -10.903 -2.976 1.00 0.00 H new ATOM 294 N ILE A 19 -0.614 -5.001 -1.375 1.00 0.00 N ATOM 295 CA ILE A 19 -1.407 -3.798 -1.523 1.00 0.00 C ATOM 296 C ILE A 19 -0.694 -2.836 -2.458 1.00 0.00 C ATOM 297 O ILE A 19 -1.225 -2.451 -3.500 1.00 0.00 O ATOM 298 CB ILE A 19 -1.650 -3.103 -0.166 1.00 0.00 C ATOM 299 CG1 ILE A 19 -2.392 -4.037 0.801 1.00 0.00 C ATOM 300 CG2 ILE A 19 -2.415 -1.811 -0.369 1.00 0.00 C ATOM 301 CD1 ILE A 19 -3.011 -3.333 1.996 1.00 0.00 C ATOM 0 H ILE A 19 -0.301 -5.190 -0.423 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.375 -4.083 -1.935 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.684 -2.864 0.279 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.178 -4.558 0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.697 -4.796 1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.580 -1.331 0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.840 -1.145 -1.013 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.376 -2.027 -0.836 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.515 -4.064 2.628 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.229 -2.835 2.570 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.733 -2.594 1.649 1.00 0.00 H new ATOM 313 N ASP A 20 0.530 -2.474 -2.086 1.00 0.00 N ATOM 314 CA ASP A 20 1.345 -1.587 -2.894 1.00 0.00 C ATOM 315 C ASP A 20 1.888 -2.341 -4.101 1.00 0.00 C ATOM 316 O ASP A 20 2.985 -2.896 -4.091 1.00 0.00 O ATOM 317 CB ASP A 20 2.455 -0.980 -2.044 1.00 0.00 C ATOM 318 CG ASP A 20 3.711 -0.680 -2.832 1.00 0.00 C ATOM 319 OD1 ASP A 20 3.794 0.418 -3.404 1.00 0.00 O ATOM 320 OD2 ASP A 20 4.599 -1.557 -2.898 1.00 0.00 O ATOM 0 H ASP A 20 0.977 -2.786 -1.224 1.00 0.00 H new ATOM 0 HA ASP A 20 0.737 -0.764 -3.269 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.092 -0.060 -1.587 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.698 -1.665 -1.232 1.00 0.00 H new ATOM 325 N THR A 21 1.059 -2.385 -5.122 1.00 0.00 N ATOM 326 CA THR A 21 1.378 -3.091 -6.351 1.00 0.00 C ATOM 327 C THR A 21 2.106 -2.209 -7.362 1.00 0.00 C ATOM 328 O THR A 21 2.762 -2.721 -8.269 1.00 0.00 O ATOM 329 CB THR A 21 0.102 -3.659 -6.969 1.00 0.00 C ATOM 330 OG1 THR A 21 0.395 -4.364 -8.162 1.00 0.00 O ATOM 331 CG2 THR A 21 -0.929 -2.601 -7.301 1.00 0.00 C ATOM 0 H THR A 21 0.144 -1.933 -5.127 1.00 0.00 H new ATOM 0 HA THR A 21 2.057 -3.903 -6.092 1.00 0.00 H new ATOM 0 HB THR A 21 -0.315 -4.321 -6.210 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.434 -4.722 -8.543 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.809 -3.074 -7.736 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.214 -2.072 -6.391 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.507 -1.893 -8.015 1.00 0.00 H new ATOM 339 N ASP A 22 1.962 -0.889 -7.242 1.00 0.00 N ATOM 340 CA ASP A 22 2.593 0.009 -8.206 1.00 0.00 C ATOM 341 C ASP A 22 3.227 1.256 -7.587 1.00 0.00 C ATOM 342 O ASP A 22 3.853 2.034 -8.309 1.00 0.00 O ATOM 343 CB ASP A 22 1.560 0.439 -9.247 1.00 0.00 C ATOM 344 CG ASP A 22 0.361 1.122 -8.617 1.00 0.00 C ATOM 345 OD1 ASP A 22 0.545 2.180 -7.978 1.00 0.00 O ATOM 346 OD2 ASP A 22 -0.765 0.600 -8.765 1.00 0.00 O ATOM 0 H ASP A 22 1.428 -0.428 -6.506 1.00 0.00 H new ATOM 0 HA ASP A 22 3.408 -0.557 -8.657 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.027 1.116 -9.962 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.226 -0.434 -9.807 1.00 0.00 H new ATOM 351 N ASN A 23 3.065 1.488 -6.285 1.00 0.00 N ATOM 352 CA ASN A 23 3.636 2.688 -5.692 1.00 0.00 C ATOM 353 C ASN A 23 5.157 2.598 -5.615 1.00 0.00 C ATOM 354 O ASN A 23 5.858 3.045 -6.523 1.00 0.00 O ATOM 355 CB ASN A 23 3.046 2.971 -4.302 1.00 0.00 C ATOM 356 CG ASN A 23 3.326 4.385 -3.822 1.00 0.00 C ATOM 357 OD1 ASN A 23 2.871 4.787 -2.752 1.00 0.00 O ATOM 358 ND2 ASN A 23 4.078 5.151 -4.609 1.00 0.00 N ATOM 0 H ASN A 23 2.559 0.880 -5.641 1.00 0.00 H new ATOM 0 HA ASN A 23 3.373 3.521 -6.344 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.969 2.808 -4.329 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.458 2.260 -3.586 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.296 6.108 -4.332 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.437 4.781 -5.489 1.00 0.00 H new ATOM 365 N SER A 24 5.660 2.023 -4.527 1.00 0.00 N ATOM 366 CA SER A 24 7.106 1.884 -4.329 1.00 0.00 C ATOM 367 C SER A 24 7.424 1.144 -3.033 1.00 0.00 C ATOM 368 O SER A 24 8.563 1.150 -2.565 1.00 0.00 O ATOM 369 CB SER A 24 7.762 3.264 -4.300 1.00 0.00 C ATOM 370 OG SER A 24 7.149 4.094 -3.328 1.00 0.00 O ATOM 0 H SER A 24 5.092 1.645 -3.768 1.00 0.00 H new ATOM 0 HA SER A 24 7.502 1.302 -5.161 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.824 3.162 -4.079 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.684 3.729 -5.283 1.00 0.00 H new ATOM 0 HG SER A 24 7.585 4.972 -3.325 1.00 0.00 H new ATOM 376 N GLY A 25 6.404 0.549 -2.436 1.00 0.00 N ATOM 377 CA GLY A 25 6.570 -0.142 -1.174 1.00 0.00 C ATOM 378 C GLY A 25 5.887 0.622 -0.061 1.00 0.00 C ATOM 379 O GLY A 25 6.316 0.598 1.092 1.00 0.00 O ATOM 0 H GLY A 25 5.454 0.532 -2.807 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.152 -1.146 -1.244 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.631 -0.253 -0.950 1.00 0.00 H new ATOM 383 N THR A 26 4.809 1.302 -0.437 1.00 0.00 N ATOM 384 CA THR A 26 4.024 2.094 0.497 1.00 0.00 C ATOM 385 C THR A 26 2.547 2.022 0.150 1.00 0.00 C ATOM 386 O THR A 26 2.175 1.795 -1.002 1.00 0.00 O ATOM 387 CB THR A 26 4.483 3.546 0.497 1.00 0.00 C ATOM 388 OG1 THR A 26 4.426 4.092 -0.808 1.00 0.00 O ATOM 389 CG2 THR A 26 5.891 3.737 1.018 1.00 0.00 C ATOM 0 H THR A 26 4.458 1.318 -1.394 1.00 0.00 H new ATOM 0 HA THR A 26 4.174 1.680 1.494 1.00 0.00 H new ATOM 0 HB THR A 26 3.797 4.061 1.170 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.490 4.199 -1.077 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.149 4.796 0.989 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.951 3.377 2.045 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.588 3.176 0.396 1.00 0.00 H new ATOM 397 N ILE A 27 1.713 2.180 1.163 1.00 0.00 N ATOM 398 CA ILE A 27 0.278 2.092 0.985 1.00 0.00 C ATOM 399 C ILE A 27 -0.426 3.408 1.242 1.00 0.00 C ATOM 400 O ILE A 27 -0.630 3.799 2.380 1.00 0.00 O ATOM 401 CB ILE A 27 -0.272 1.051 1.949 1.00 0.00 C ATOM 402 CG1 ILE A 27 0.525 -0.239 1.779 1.00 0.00 C ATOM 403 CG2 ILE A 27 -1.757 0.832 1.721 1.00 0.00 C ATOM 404 CD1 ILE A 27 -0.160 -1.458 2.334 1.00 0.00 C ATOM 0 H ILE A 27 2.009 2.371 2.120 1.00 0.00 H new ATOM 0 HA ILE A 27 0.094 1.817 -0.053 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.164 1.401 2.975 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.721 -0.396 0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.492 -0.124 2.268 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.126 0.084 2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.291 1.769 1.876 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.921 0.485 0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.470 -2.333 2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.332 -1.324 3.402 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.115 -1.601 1.828 1.00 0.00 H new ATOM 416 N THR A 28 -0.835 4.081 0.190 1.00 0.00 N ATOM 417 CA THR A 28 -1.523 5.342 0.361 1.00 0.00 C ATOM 418 C THR A 28 -3.013 5.167 0.164 1.00 0.00 C ATOM 419 O THR A 28 -3.451 4.182 -0.402 1.00 0.00 O ATOM 420 CB THR A 28 -0.966 6.379 -0.611 1.00 0.00 C ATOM 421 OG1 THR A 28 -1.144 5.963 -1.953 1.00 0.00 O ATOM 422 CG2 THR A 28 0.508 6.641 -0.398 1.00 0.00 C ATOM 0 H THR A 28 -0.707 3.784 -0.777 1.00 0.00 H new ATOM 0 HA THR A 28 -1.357 5.696 1.378 1.00 0.00 H new ATOM 0 HB THR A 28 -1.521 7.296 -0.416 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.781 6.644 -2.557 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.853 7.386 -1.115 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.669 7.011 0.615 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.066 5.716 -0.540 1.00 0.00 H new ATOM 430 N PHE A 29 -3.776 6.117 0.682 1.00 0.00 N ATOM 431 CA PHE A 29 -5.242 6.090 0.624 1.00 0.00 C ATOM 432 C PHE A 29 -5.747 5.452 -0.676 1.00 0.00 C ATOM 433 O PHE A 29 -6.769 4.765 -0.677 1.00 0.00 O ATOM 434 CB PHE A 29 -5.779 7.520 0.746 1.00 0.00 C ATOM 435 CG PHE A 29 -7.206 7.611 1.195 1.00 0.00 C ATOM 436 CD1 PHE A 29 -8.249 7.629 0.283 1.00 0.00 C ATOM 437 CD2 PHE A 29 -7.497 7.706 2.542 1.00 0.00 C ATOM 438 CE1 PHE A 29 -9.560 7.738 0.714 1.00 0.00 C ATOM 439 CE2 PHE A 29 -8.799 7.813 2.978 1.00 0.00 C ATOM 440 CZ PHE A 29 -9.833 7.830 2.068 1.00 0.00 C ATOM 0 H PHE A 29 -3.400 6.936 1.159 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.605 5.481 1.452 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.154 8.071 1.449 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.683 8.015 -0.221 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.037 7.557 -0.774 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -6.693 7.696 3.263 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -10.367 7.751 -0.004 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.010 7.884 4.035 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.854 7.915 2.410 1.00 0.00 H new ATOM 450 N ASP A 30 -5.022 5.664 -1.773 1.00 0.00 N ATOM 451 CA ASP A 30 -5.400 5.087 -3.063 1.00 0.00 C ATOM 452 C ASP A 30 -5.013 3.605 -3.121 1.00 0.00 C ATOM 453 O ASP A 30 -5.812 2.759 -3.525 1.00 0.00 O ATOM 454 CB ASP A 30 -4.727 5.854 -4.204 1.00 0.00 C ATOM 455 CG ASP A 30 -5.125 5.335 -5.574 1.00 0.00 C ATOM 456 OD1 ASP A 30 -4.835 4.157 -5.872 1.00 0.00 O ATOM 457 OD2 ASP A 30 -5.726 6.108 -6.349 1.00 0.00 O ATOM 0 H ASP A 30 -4.173 6.229 -1.795 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.481 5.168 -3.175 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.988 6.910 -4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.645 5.785 -4.094 1.00 0.00 H new ATOM 462 N GLU A 31 -3.793 3.301 -2.684 1.00 0.00 N ATOM 463 CA GLU A 31 -3.296 1.926 -2.651 1.00 0.00 C ATOM 464 C GLU A 31 -3.954 1.131 -1.538 1.00 0.00 C ATOM 465 O GLU A 31 -4.035 -0.090 -1.609 1.00 0.00 O ATOM 466 CB GLU A 31 -1.784 1.905 -2.480 1.00 0.00 C ATOM 467 CG GLU A 31 -1.052 2.012 -3.799 1.00 0.00 C ATOM 468 CD GLU A 31 -0.910 3.438 -4.285 1.00 0.00 C ATOM 469 OE1 GLU A 31 -1.946 4.095 -4.517 1.00 0.00 O ATOM 470 OE2 GLU A 31 0.240 3.896 -4.431 1.00 0.00 O ATOM 0 H GLU A 31 -3.125 3.994 -2.345 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.551 1.460 -3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.483 2.729 -1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.491 0.983 -1.979 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.061 1.570 -3.695 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.584 1.429 -4.551 1.00 0.00 H new ATOM 477 N LEU A 32 -4.426 1.833 -0.514 1.00 0.00 N ATOM 478 CA LEU A 32 -5.067 1.200 0.622 1.00 0.00 C ATOM 479 C LEU A 32 -6.149 0.238 0.143 1.00 0.00 C ATOM 480 O LEU A 32 -6.142 -0.951 0.469 1.00 0.00 O ATOM 481 CB LEU A 32 -5.660 2.263 1.547 1.00 0.00 C ATOM 482 CG LEU A 32 -5.885 1.821 2.998 1.00 0.00 C ATOM 483 CD1 LEU A 32 -7.050 0.846 3.096 1.00 0.00 C ATOM 484 CD2 LEU A 32 -4.622 1.190 3.565 1.00 0.00 C ATOM 0 H LEU A 32 -4.374 2.850 -0.452 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.324 0.632 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.999 3.130 1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.614 2.590 1.133 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.129 2.706 3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.189 0.548 4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.958 1.327 2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.839 -0.036 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.800 0.882 4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.351 0.319 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.809 1.916 3.538 1.00 0.00 H new ATOM 496 N LYS A 33 -7.056 0.774 -0.659 1.00 0.00 N ATOM 497 CA LYS A 33 -8.150 -0.003 -1.238 1.00 0.00 C ATOM 498 C LYS A 33 -7.654 -0.808 -2.428 1.00 0.00 C ATOM 499 O LYS A 33 -8.053 -1.951 -2.629 1.00 0.00 O ATOM 500 CB LYS A 33 -9.285 0.926 -1.677 1.00 0.00 C ATOM 501 CG LYS A 33 -8.842 2.363 -1.913 1.00 0.00 C ATOM 502 CD LYS A 33 -9.859 3.147 -2.725 1.00 0.00 C ATOM 503 CE LYS A 33 -11.188 3.251 -2.001 1.00 0.00 C ATOM 504 NZ LYS A 33 -12.193 4.014 -2.792 1.00 0.00 N ATOM 0 H LYS A 33 -7.058 1.758 -0.929 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.526 -0.689 -0.479 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.728 0.536 -2.594 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.066 0.916 -0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.686 2.856 -0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.884 2.366 -2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.473 4.147 -2.925 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.006 2.663 -3.690 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.570 2.251 -1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.039 3.738 -1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.032 4.194 -2.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.781 4.920 -3.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.468 3.462 -3.629 1.00 0.00 H new ATOM 518 N ASP A 34 -6.781 -0.201 -3.214 1.00 0.00 N ATOM 519 CA ASP A 34 -6.224 -0.852 -4.389 1.00 0.00 C ATOM 520 C ASP A 34 -5.738 -2.265 -4.068 1.00 0.00 C ATOM 521 O ASP A 34 -5.857 -3.171 -4.891 1.00 0.00 O ATOM 522 CB ASP A 34 -5.065 -0.024 -4.929 1.00 0.00 C ATOM 523 CG ASP A 34 -4.564 -0.526 -6.269 1.00 0.00 C ATOM 524 OD1 ASP A 34 -5.369 -0.576 -7.223 1.00 0.00 O ATOM 525 OD2 ASP A 34 -3.366 -0.866 -6.366 1.00 0.00 O ATOM 0 H ASP A 34 -6.441 0.748 -3.059 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.011 -0.927 -5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.381 1.014 -5.029 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.246 -0.040 -4.210 1.00 0.00 H new ATOM 530 N GLY A 35 -5.181 -2.443 -2.871 1.00 0.00 N ATOM 531 CA GLY A 35 -4.678 -3.743 -2.468 1.00 0.00 C ATOM 532 C GLY A 35 -5.679 -4.549 -1.661 1.00 0.00 C ATOM 533 O GLY A 35 -5.921 -5.718 -1.959 1.00 0.00 O ATOM 0 H GLY A 35 -5.070 -1.707 -2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.399 -4.309 -3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.771 -3.607 -1.878 1.00 0.00 H new ATOM 537 N LEU A 36 -6.262 -3.935 -0.634 1.00 0.00 N ATOM 538 CA LEU A 36 -7.239 -4.626 0.203 1.00 0.00 C ATOM 539 C LEU A 36 -8.394 -5.120 -0.651 1.00 0.00 C ATOM 540 O LEU A 36 -8.764 -6.291 -0.614 1.00 0.00 O ATOM 541 CB LEU A 36 -7.779 -3.694 1.281 1.00 0.00 C ATOM 542 CG LEU A 36 -8.159 -4.361 2.605 1.00 0.00 C ATOM 543 CD1 LEU A 36 -9.233 -5.411 2.386 1.00 0.00 C ATOM 544 CD2 LEU A 36 -6.933 -4.975 3.266 1.00 0.00 C ATOM 0 H LEU A 36 -6.077 -2.969 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.743 -5.472 0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.029 -2.929 1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.658 -3.183 0.887 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.560 -3.597 3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.489 -5.874 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.120 -4.941 1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.862 -6.173 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.223 -5.444 4.206 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.500 -5.725 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.197 -4.196 3.462 1.00 0.00 H new ATOM 556 N LYS A 37 -8.946 -4.201 -1.426 1.00 0.00 N ATOM 557 CA LYS A 37 -10.060 -4.495 -2.315 1.00 0.00 C ATOM 558 C LYS A 37 -9.617 -5.424 -3.451 1.00 0.00 C ATOM 559 O LYS A 37 -10.440 -5.936 -4.210 1.00 0.00 O ATOM 560 CB LYS A 37 -10.622 -3.169 -2.850 1.00 0.00 C ATOM 561 CG LYS A 37 -11.517 -3.295 -4.065 1.00 0.00 C ATOM 562 CD LYS A 37 -10.943 -2.526 -5.244 1.00 0.00 C ATOM 563 CE LYS A 37 -9.613 -3.108 -5.692 1.00 0.00 C ATOM 564 NZ LYS A 37 -9.780 -4.432 -6.354 1.00 0.00 N ATOM 0 H LYS A 37 -8.635 -3.230 -1.457 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.845 -5.018 -1.770 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.184 -2.682 -2.053 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.788 -2.513 -3.099 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.629 -4.346 -4.331 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.512 -2.918 -3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.650 -2.549 -6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.809 -1.480 -4.968 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.128 -2.416 -6.381 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.954 -3.214 -4.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.847 -4.810 -6.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.250 -5.090 -5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.360 -4.321 -7.210 1.00 0.00 H new ATOM 578 N ARG A 38 -8.305 -5.644 -3.553 1.00 0.00 N ATOM 579 CA ARG A 38 -7.744 -6.508 -4.590 1.00 0.00 C ATOM 580 C ARG A 38 -7.852 -7.986 -4.217 1.00 0.00 C ATOM 581 O ARG A 38 -8.002 -8.839 -5.092 1.00 0.00 O ATOM 582 CB ARG A 38 -6.279 -6.125 -4.849 1.00 0.00 C ATOM 583 CG ARG A 38 -5.564 -6.988 -5.882 1.00 0.00 C ATOM 584 CD ARG A 38 -5.035 -8.280 -5.275 1.00 0.00 C ATOM 585 NE ARG A 38 -4.269 -9.068 -6.238 1.00 0.00 N ATOM 586 CZ ARG A 38 -3.122 -8.666 -6.779 1.00 0.00 C ATOM 587 NH1 ARG A 38 -2.605 -7.489 -6.450 1.00 0.00 N ATOM 588 NH2 ARG A 38 -2.489 -9.442 -7.648 1.00 0.00 N ATOM 0 H ARG A 38 -7.611 -5.234 -2.928 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.324 -6.361 -5.501 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.243 -5.086 -5.177 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.732 -6.182 -3.908 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.250 -7.224 -6.696 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.737 -6.425 -6.315 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.405 -8.045 -4.417 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.870 -8.874 -4.904 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.635 -9.980 -6.512 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.087 -6.889 -5.780 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.725 -7.184 -6.867 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.881 -10.348 -7.903 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.610 -9.132 -8.062 1.00 0.00 H new ATOM 602 N VAL A 39 -7.773 -8.296 -2.924 1.00 0.00 N ATOM 603 CA VAL A 39 -7.859 -9.683 -2.473 1.00 0.00 C ATOM 604 C VAL A 39 -9.298 -10.186 -2.492 1.00 0.00 C ATOM 605 O VAL A 39 -9.573 -11.321 -2.102 1.00 0.00 O ATOM 606 CB VAL A 39 -7.285 -9.859 -1.052 1.00 0.00 C ATOM 607 CG1 VAL A 39 -5.836 -9.400 -1.001 1.00 0.00 C ATOM 608 CG2 VAL A 39 -8.127 -9.108 -0.032 1.00 0.00 C ATOM 0 H VAL A 39 -7.651 -7.612 -2.177 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.262 -10.271 -3.171 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.317 -10.919 -0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.448 -9.532 0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.242 -9.992 -1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.778 -8.347 -1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.703 -9.247 0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.135 -8.046 -0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.147 -9.492 -0.049 1.00 0.00 H new ATOM 618 N GLY A 40 -10.212 -9.337 -2.945 1.00 0.00 N ATOM 619 CA GLY A 40 -11.610 -9.716 -3.003 1.00 0.00 C ATOM 620 C GLY A 40 -12.469 -8.885 -2.073 1.00 0.00 C ATOM 621 O GLY A 40 -13.637 -9.202 -1.848 1.00 0.00 O ATOM 0 H GLY A 40 -10.010 -8.393 -3.273 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.972 -9.605 -4.025 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.710 -10.770 -2.742 1.00 0.00 H new ATOM 625 N SER A 41 -11.888 -7.819 -1.531 1.00 0.00 N ATOM 626 CA SER A 41 -12.593 -6.939 -0.629 1.00 0.00 C ATOM 627 C SER A 41 -13.232 -5.791 -1.391 1.00 0.00 C ATOM 628 O SER A 41 -12.803 -5.452 -2.491 1.00 0.00 O ATOM 629 CB SER A 41 -11.620 -6.398 0.411 1.00 0.00 C ATOM 630 OG SER A 41 -11.239 -7.410 1.328 1.00 0.00 O ATOM 0 H SER A 41 -10.921 -7.549 -1.709 1.00 0.00 H new ATOM 0 HA SER A 41 -13.384 -7.501 -0.132 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.735 -6.001 -0.086 1.00 0.00 H new ATOM 0 HB3 SER A 41 -12.081 -5.570 0.949 1.00 0.00 H new ATOM 0 HG SER A 41 -11.348 -7.079 2.244 1.00 0.00 H new ATOM 636 N GLU A 42 -14.261 -5.200 -0.805 1.00 0.00 N ATOM 637 CA GLU A 42 -14.951 -4.090 -1.438 1.00 0.00 C ATOM 638 C GLU A 42 -15.369 -3.054 -0.403 1.00 0.00 C ATOM 639 O GLU A 42 -16.320 -3.258 0.351 1.00 0.00 O ATOM 640 CB GLU A 42 -16.171 -4.593 -2.206 1.00 0.00 C ATOM 641 CG GLU A 42 -15.838 -5.608 -3.288 1.00 0.00 C ATOM 642 CD GLU A 42 -17.065 -6.083 -4.043 1.00 0.00 C ATOM 643 OE1 GLU A 42 -18.180 -5.619 -3.719 1.00 0.00 O ATOM 644 OE2 GLU A 42 -16.913 -6.920 -4.957 1.00 0.00 O ATOM 0 H GLU A 42 -14.635 -5.470 0.105 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.265 -3.616 -2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -16.872 -5.042 -1.502 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -16.678 -3.743 -2.662 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.133 -5.165 -3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.341 -6.466 -2.835 1.00 0.00 H new ATOM 651 N LEU A 43 -14.636 -1.948 -0.369 1.00 0.00 N ATOM 652 CA LEU A 43 -14.904 -0.873 0.573 1.00 0.00 C ATOM 653 C LEU A 43 -14.942 0.469 -0.147 1.00 0.00 C ATOM 654 O LEU A 43 -14.473 0.586 -1.280 1.00 0.00 O ATOM 655 CB LEU A 43 -13.802 -0.836 1.628 1.00 0.00 C ATOM 656 CG LEU A 43 -13.436 -2.184 2.246 1.00 0.00 C ATOM 657 CD1 LEU A 43 -12.202 -2.042 3.124 1.00 0.00 C ATOM 658 CD2 LEU A 43 -14.598 -2.745 3.052 1.00 0.00 C ATOM 0 H LEU A 43 -13.845 -1.773 -0.989 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.870 -1.055 1.043 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.907 -0.408 1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -14.111 -0.162 2.427 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.215 -2.882 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.951 -3.010 3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.366 -1.687 2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.403 -1.327 3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.313 -3.705 3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.854 -2.051 3.852 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -15.461 -2.881 2.400 1.00 0.00 H new ATOM 670 N MET A 44 -15.464 1.488 0.525 1.00 0.00 N ATOM 671 CA MET A 44 -15.515 2.827 -0.038 1.00 0.00 C ATOM 672 C MET A 44 -14.445 3.675 0.636 1.00 0.00 C ATOM 673 O MET A 44 -13.899 3.269 1.658 1.00 0.00 O ATOM 674 CB MET A 44 -16.896 3.444 0.179 1.00 0.00 C ATOM 675 CG MET A 44 -18.033 2.514 -0.205 1.00 0.00 C ATOM 676 SD MET A 44 -19.629 3.353 -0.277 1.00 0.00 S ATOM 677 CE MET A 44 -19.782 3.942 1.409 1.00 0.00 C ATOM 0 H MET A 44 -15.858 1.410 1.462 1.00 0.00 H new ATOM 0 HA MET A 44 -15.332 2.783 -1.112 1.00 0.00 H new ATOM 0 HB2 MET A 44 -17.002 3.723 1.227 1.00 0.00 H new ATOM 0 HB3 MET A 44 -16.973 4.362 -0.404 1.00 0.00 H new ATOM 0 HG2 MET A 44 -17.819 2.067 -1.176 1.00 0.00 H new ATOM 0 HG3 MET A 44 -18.089 1.699 0.516 1.00 0.00 H new ATOM 0 HE1 MET A 44 -20.795 4.308 1.576 1.00 0.00 H new ATOM 0 HE2 MET A 44 -19.573 3.126 2.100 1.00 0.00 H new ATOM 0 HE3 MET A 44 -19.072 4.751 1.578 1.00 0.00 H new ATOM 687 N GLU A 45 -14.127 4.833 0.069 1.00 0.00 N ATOM 688 CA GLU A 45 -13.097 5.690 0.651 1.00 0.00 C ATOM 689 C GLU A 45 -13.299 5.874 2.153 1.00 0.00 C ATOM 690 O GLU A 45 -12.427 5.513 2.940 1.00 0.00 O ATOM 691 CB GLU A 45 -13.034 7.041 -0.054 1.00 0.00 C ATOM 692 CG GLU A 45 -12.464 6.947 -1.457 1.00 0.00 C ATOM 693 CD GLU A 45 -13.505 6.566 -2.494 1.00 0.00 C ATOM 694 OE1 GLU A 45 -14.693 6.443 -2.129 1.00 0.00 O ATOM 695 OE2 GLU A 45 -13.132 6.400 -3.674 1.00 0.00 O ATOM 0 H GLU A 45 -14.559 5.198 -0.780 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.142 5.186 0.503 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.036 7.468 -0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.424 7.725 0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.022 7.905 -1.729 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.661 6.210 -1.469 1.00 0.00 H new ATOM 702 N SER A 46 -14.439 6.440 2.553 1.00 0.00 N ATOM 703 CA SER A 46 -14.731 6.665 3.971 1.00 0.00 C ATOM 704 C SER A 46 -14.482 5.412 4.811 1.00 0.00 C ATOM 705 O SER A 46 -14.344 5.494 6.030 1.00 0.00 O ATOM 706 CB SER A 46 -16.181 7.120 4.143 1.00 0.00 C ATOM 707 OG SER A 46 -16.495 7.317 5.511 1.00 0.00 O ATOM 0 H SER A 46 -15.174 6.751 1.917 1.00 0.00 H new ATOM 0 HA SER A 46 -14.055 7.444 4.324 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.342 8.047 3.593 1.00 0.00 H new ATOM 0 HB3 SER A 46 -16.852 6.375 3.716 1.00 0.00 H new ATOM 0 HG SER A 46 -15.900 6.770 6.065 1.00 0.00 H new ATOM 713 N GLU A 47 -14.399 4.261 4.152 1.00 0.00 N ATOM 714 CA GLU A 47 -14.135 2.995 4.833 1.00 0.00 C ATOM 715 C GLU A 47 -12.635 2.743 4.879 1.00 0.00 C ATOM 716 O GLU A 47 -12.075 2.459 5.935 1.00 0.00 O ATOM 717 CB GLU A 47 -14.845 1.839 4.128 1.00 0.00 C ATOM 718 CG GLU A 47 -16.359 1.932 4.188 1.00 0.00 C ATOM 719 CD GLU A 47 -17.045 0.785 3.473 1.00 0.00 C ATOM 720 OE1 GLU A 47 -16.820 -0.380 3.865 1.00 0.00 O ATOM 721 OE2 GLU A 47 -17.806 1.051 2.520 1.00 0.00 O ATOM 0 H GLU A 47 -14.511 4.177 3.142 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.521 3.058 5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.532 1.813 3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.528 0.899 4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.677 1.947 5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.679 2.875 3.744 1.00 0.00 H new ATOM 728 N ILE A 48 -11.984 2.893 3.724 1.00 0.00 N ATOM 729 CA ILE A 48 -10.540 2.737 3.629 1.00 0.00 C ATOM 730 C ILE A 48 -9.905 3.572 4.718 1.00 0.00 C ATOM 731 O ILE A 48 -9.181 3.080 5.585 1.00 0.00 O ATOM 732 CB ILE A 48 -10.043 3.215 2.246 1.00 0.00 C ATOM 733 CG1 ILE A 48 -10.185 2.101 1.221 1.00 0.00 C ATOM 734 CG2 ILE A 48 -8.602 3.702 2.299 1.00 0.00 C ATOM 735 CD1 ILE A 48 -11.603 1.629 1.000 1.00 0.00 C ATOM 0 H ILE A 48 -12.440 3.123 2.841 1.00 0.00 H new ATOM 0 HA ILE A 48 -10.269 1.688 3.748 1.00 0.00 H new ATOM 0 HB ILE A 48 -10.665 4.059 1.947 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -9.778 2.445 0.270 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -9.579 1.253 1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.292 4.029 1.307 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -8.525 4.536 2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.956 2.890 2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -11.610 0.834 0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -12.011 1.250 1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -12.213 2.461 0.649 1.00 0.00 H new ATOM 747 N LYS A 49 -10.223 4.847 4.643 1.00 0.00 N ATOM 748 CA LYS A 49 -9.762 5.835 5.589 1.00 0.00 C ATOM 749 C LYS A 49 -9.778 5.286 7.005 1.00 0.00 C ATOM 750 O LYS A 49 -8.918 5.617 7.809 1.00 0.00 O ATOM 751 CB LYS A 49 -10.671 7.047 5.496 1.00 0.00 C ATOM 752 CG LYS A 49 -10.437 8.088 6.561 1.00 0.00 C ATOM 753 CD LYS A 49 -11.027 9.408 6.126 1.00 0.00 C ATOM 754 CE LYS A 49 -10.779 10.475 7.166 1.00 0.00 C ATOM 755 NZ LYS A 49 -9.334 10.553 7.531 1.00 0.00 N ATOM 0 H LYS A 49 -10.819 5.230 3.910 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.734 6.109 5.350 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.539 7.510 4.518 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.707 6.713 5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.890 7.769 7.500 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.368 8.200 6.744 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.589 9.712 5.175 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.099 9.296 5.962 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.113 11.441 6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.370 10.262 8.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.078 11.542 7.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.159 9.977 8.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.757 10.194 6.744 1.00 0.00 H new ATOM 769 N ASP A 50 -10.758 4.439 7.298 1.00 0.00 N ATOM 770 CA ASP A 50 -10.878 3.845 8.624 1.00 0.00 C ATOM 771 C ASP A 50 -9.675 2.954 8.913 1.00 0.00 C ATOM 772 O ASP A 50 -9.027 3.085 9.946 1.00 0.00 O ATOM 773 CB ASP A 50 -12.177 3.044 8.735 1.00 0.00 C ATOM 774 CG ASP A 50 -12.407 2.489 10.129 1.00 0.00 C ATOM 775 OD1 ASP A 50 -11.577 1.680 10.592 1.00 0.00 O ATOM 776 OD2 ASP A 50 -13.420 2.865 10.756 1.00 0.00 O ATOM 0 H ASP A 50 -11.479 4.149 6.637 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.904 4.645 9.364 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.017 3.682 8.459 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.154 2.221 8.020 1.00 0.00 H new ATOM 781 N LEU A 51 -9.377 2.058 7.985 1.00 0.00 N ATOM 782 CA LEU A 51 -8.244 1.153 8.131 1.00 0.00 C ATOM 783 C LEU A 51 -6.953 1.927 8.351 1.00 0.00 C ATOM 784 O LEU A 51 -6.043 1.459 9.032 1.00 0.00 O ATOM 785 CB LEU A 51 -8.096 0.294 6.877 1.00 0.00 C ATOM 786 CG LEU A 51 -6.961 -0.730 6.926 1.00 0.00 C ATOM 787 CD1 LEU A 51 -7.150 -1.688 8.093 1.00 0.00 C ATOM 788 CD2 LEU A 51 -6.878 -1.497 5.616 1.00 0.00 C ATOM 0 H LEU A 51 -9.904 1.937 7.120 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.432 0.520 8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.034 -0.233 6.703 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.936 0.951 6.022 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.024 -0.193 7.072 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.332 -2.408 8.109 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.158 -1.126 9.027 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.096 -2.217 7.980 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.065 -2.221 5.669 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.818 -2.020 5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.691 -0.801 4.798 1.00 0.00 H new ATOM 800 N MET A 52 -6.867 3.099 7.737 1.00 0.00 N ATOM 801 CA MET A 52 -5.670 3.924 7.834 1.00 0.00 C ATOM 802 C MET A 52 -5.690 4.852 9.048 1.00 0.00 C ATOM 803 O MET A 52 -4.883 4.729 9.962 1.00 0.00 O ATOM 804 CB MET A 52 -5.553 4.764 6.563 1.00 0.00 C ATOM 805 CG MET A 52 -4.304 5.613 6.503 1.00 0.00 C ATOM 806 SD MET A 52 -4.013 6.290 4.862 1.00 0.00 S ATOM 807 CE MET A 52 -3.764 4.783 3.930 1.00 0.00 C ATOM 0 H MET A 52 -7.611 3.500 7.167 1.00 0.00 H new ATOM 0 HA MET A 52 -4.815 3.258 7.951 1.00 0.00 H new ATOM 0 HB2 MET A 52 -5.572 4.101 5.698 1.00 0.00 H new ATOM 0 HB3 MET A 52 -6.426 5.413 6.486 1.00 0.00 H new ATOM 0 HG2 MET A 52 -4.388 6.429 7.220 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.445 5.013 6.803 1.00 0.00 H new ATOM 0 HE1 MET A 52 -2.911 4.905 3.263 1.00 0.00 H new ATOM 0 HE2 MET A 52 -3.573 3.958 4.616 1.00 0.00 H new ATOM 0 HE3 MET A 52 -4.656 4.567 3.342 1.00 0.00 H new ATOM 817 N ASP A 53 -6.603 5.799 9.029 1.00 0.00 N ATOM 818 CA ASP A 53 -6.712 6.782 10.104 1.00 0.00 C ATOM 819 C ASP A 53 -6.949 6.128 11.463 1.00 0.00 C ATOM 820 O ASP A 53 -6.495 6.632 12.488 1.00 0.00 O ATOM 821 CB ASP A 53 -7.837 7.773 9.800 1.00 0.00 C ATOM 822 CG ASP A 53 -9.196 7.283 10.268 1.00 0.00 C ATOM 823 OD1 ASP A 53 -9.531 6.109 10.020 1.00 0.00 O ATOM 824 OD2 ASP A 53 -9.931 8.082 10.874 1.00 0.00 O ATOM 0 H ASP A 53 -7.287 5.916 8.281 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.760 7.311 10.156 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.615 8.726 10.280 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.872 7.957 8.726 1.00 0.00 H new ATOM 829 N ALA A 54 -7.687 5.028 11.475 1.00 0.00 N ATOM 830 CA ALA A 54 -8.004 4.347 12.725 1.00 0.00 C ATOM 831 C ALA A 54 -6.991 3.262 13.104 1.00 0.00 C ATOM 832 O ALA A 54 -6.948 2.840 14.259 1.00 0.00 O ATOM 833 CB ALA A 54 -9.401 3.753 12.651 1.00 0.00 C ATOM 0 H ALA A 54 -8.076 4.589 10.641 1.00 0.00 H new ATOM 0 HA ALA A 54 -7.956 5.101 13.511 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.631 3.246 13.588 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.126 4.549 12.482 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.449 3.038 11.830 1.00 0.00 H new ATOM 839 N ALA A 55 -6.190 2.790 12.146 1.00 0.00 N ATOM 840 CA ALA A 55 -5.217 1.737 12.446 1.00 0.00 C ATOM 841 C ALA A 55 -3.788 2.130 12.087 1.00 0.00 C ATOM 842 O ALA A 55 -2.865 1.876 12.862 1.00 0.00 O ATOM 843 CB ALA A 55 -5.602 0.447 11.739 1.00 0.00 C ATOM 0 H ALA A 55 -6.194 3.111 11.178 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.240 1.584 13.525 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.870 -0.327 11.971 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.588 0.127 12.077 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.624 0.615 10.662 1.00 0.00 H new ATOM 849 N ASP A 56 -3.599 2.741 10.920 1.00 0.00 N ATOM 850 CA ASP A 56 -2.264 3.155 10.491 1.00 0.00 C ATOM 851 C ASP A 56 -1.580 3.951 11.600 1.00 0.00 C ATOM 852 O ASP A 56 -1.880 5.125 11.816 1.00 0.00 O ATOM 853 CB ASP A 56 -2.340 3.983 9.204 1.00 0.00 C ATOM 854 CG ASP A 56 -0.974 4.398 8.698 1.00 0.00 C ATOM 855 OD1 ASP A 56 0.032 4.029 9.336 1.00 0.00 O ATOM 856 OD2 ASP A 56 -0.911 5.092 7.662 1.00 0.00 O ATOM 0 H ASP A 56 -4.345 2.959 10.259 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.674 2.262 10.285 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.849 3.404 8.433 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.943 4.873 9.384 1.00 0.00 H new ATOM 861 N ILE A 57 -0.675 3.284 12.314 1.00 0.00 N ATOM 862 CA ILE A 57 0.055 3.887 13.430 1.00 0.00 C ATOM 863 C ILE A 57 0.691 5.215 13.058 1.00 0.00 C ATOM 864 O ILE A 57 1.097 5.987 13.928 1.00 0.00 O ATOM 865 CB ILE A 57 1.180 2.956 13.916 1.00 0.00 C ATOM 866 CG1 ILE A 57 0.686 1.512 13.974 1.00 0.00 C ATOM 867 CG2 ILE A 57 1.693 3.413 15.277 1.00 0.00 C ATOM 868 CD1 ILE A 57 1.684 0.545 14.578 1.00 0.00 C ATOM 0 H ILE A 57 -0.427 2.311 12.136 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.684 4.049 14.215 1.00 0.00 H new ATOM 0 HB ILE A 57 2.007 3.003 13.208 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.236 1.477 14.554 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.440 1.182 12.965 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.488 2.746 15.609 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.081 4.428 15.197 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.877 3.392 15.999 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.260 -0.459 14.584 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.599 0.549 13.985 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.912 0.849 15.600 1.00 0.00 H new ATOM 880 N ASP A 58 0.809 5.465 11.768 1.00 0.00 N ATOM 881 CA ASP A 58 1.440 6.686 11.294 1.00 0.00 C ATOM 882 C ASP A 58 0.585 7.408 10.265 1.00 0.00 C ATOM 883 O ASP A 58 1.098 7.839 9.238 1.00 0.00 O ATOM 884 CB ASP A 58 2.793 6.343 10.687 1.00 0.00 C ATOM 885 CG ASP A 58 3.775 5.820 11.716 1.00 0.00 C ATOM 886 OD1 ASP A 58 4.085 6.562 12.673 1.00 0.00 O ATOM 887 OD2 ASP A 58 4.235 4.668 11.568 1.00 0.00 O ATOM 0 H ASP A 58 0.478 4.843 11.030 1.00 0.00 H new ATOM 0 HA ASP A 58 1.562 7.356 12.145 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.658 5.595 9.906 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.209 7.231 10.210 1.00 0.00 H new ATOM 892 N LYS A 59 -0.718 7.492 10.531 1.00 0.00 N ATOM 893 CA LYS A 59 -1.663 8.119 9.613 1.00 0.00 C ATOM 894 C LYS A 59 -1.031 9.285 8.855 1.00 0.00 C ATOM 895 O LYS A 59 -1.120 10.445 9.261 1.00 0.00 O ATOM 896 CB LYS A 59 -2.910 8.591 10.361 1.00 0.00 C ATOM 897 CG LYS A 59 -4.114 8.854 9.460 1.00 0.00 C ATOM 898 CD LYS A 59 -3.853 9.955 8.445 1.00 0.00 C ATOM 899 CE LYS A 59 -5.018 10.122 7.483 1.00 0.00 C ATOM 900 NZ LYS A 59 -6.267 10.526 8.186 1.00 0.00 N ATOM 0 H LYS A 59 -1.144 7.129 11.384 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.952 7.364 8.882 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.182 7.840 11.103 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.670 9.505 10.905 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.378 7.936 8.935 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.971 9.127 10.075 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.674 10.895 8.966 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.948 9.725 7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.765 10.872 6.733 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.187 9.185 6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.963 9.755 8.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.054 10.726 9.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.658 11.379 7.737 1.00 0.00 H new ATOM 914 N SER A 60 -0.405 8.945 7.739 1.00 0.00 N ATOM 915 CA SER A 60 0.242 9.911 6.864 1.00 0.00 C ATOM 916 C SER A 60 -0.268 9.696 5.450 1.00 0.00 C ATOM 917 O SER A 60 0.370 10.090 4.473 1.00 0.00 O ATOM 918 CB SER A 60 1.763 9.745 6.904 1.00 0.00 C ATOM 919 OG SER A 60 2.261 9.885 8.221 1.00 0.00 O ATOM 0 H SER A 60 -0.331 7.982 7.412 1.00 0.00 H new ATOM 0 HA SER A 60 0.006 10.921 7.200 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.034 8.765 6.513 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.229 10.487 6.256 1.00 0.00 H new ATOM 0 HG SER A 60 2.043 9.083 8.740 1.00 0.00 H new ATOM 925 N GLY A 61 -1.412 9.023 5.360 1.00 0.00 N ATOM 926 CA GLY A 61 -1.989 8.708 4.072 1.00 0.00 C ATOM 927 C GLY A 61 -1.135 7.690 3.351 1.00 0.00 C ATOM 928 O GLY A 61 -1.197 7.564 2.128 1.00 0.00 O ATOM 0 H GLY A 61 -1.949 8.691 6.161 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.999 8.319 4.203 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.072 9.614 3.472 1.00 0.00 H new ATOM 932 N THR A 62 -0.328 6.974 4.139 1.00 0.00 N ATOM 933 CA THR A 62 0.584 5.960 3.628 1.00 0.00 C ATOM 934 C THR A 62 0.896 4.931 4.715 1.00 0.00 C ATOM 935 O THR A 62 1.191 5.294 5.854 1.00 0.00 O ATOM 936 CB THR A 62 1.879 6.621 3.153 1.00 0.00 C ATOM 937 OG1 THR A 62 1.616 7.578 2.143 1.00 0.00 O ATOM 938 CG2 THR A 62 2.888 5.638 2.604 1.00 0.00 C ATOM 0 H THR A 62 -0.293 7.086 5.152 1.00 0.00 H new ATOM 0 HA THR A 62 0.110 5.451 2.789 1.00 0.00 H new ATOM 0 HB THR A 62 2.302 7.092 4.040 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.458 7.989 1.855 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.782 6.174 2.286 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.153 4.918 3.378 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.457 5.112 1.752 1.00 0.00 H new ATOM 946 N ILE A 63 0.821 3.647 4.365 1.00 0.00 N ATOM 947 CA ILE A 63 1.085 2.587 5.316 1.00 0.00 C ATOM 948 C ILE A 63 2.343 1.817 4.944 1.00 0.00 C ATOM 949 O ILE A 63 2.551 1.459 3.785 1.00 0.00 O ATOM 950 CB ILE A 63 -0.107 1.612 5.413 1.00 0.00 C ATOM 951 CG1 ILE A 63 -1.301 2.304 6.077 1.00 0.00 C ATOM 952 CG2 ILE A 63 0.285 0.357 6.178 1.00 0.00 C ATOM 953 CD1 ILE A 63 -2.527 1.423 6.199 1.00 0.00 C ATOM 0 H ILE A 63 0.579 3.324 3.428 1.00 0.00 H new ATOM 0 HA ILE A 63 1.233 3.058 6.288 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.396 1.314 4.405 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.007 2.641 7.071 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.560 3.193 5.502 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.570 -0.317 6.235 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.106 -0.141 5.663 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.600 0.629 7.185 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.330 1.982 6.679 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.848 1.106 5.207 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.286 0.546 6.800 1.00 0.00 H new ATOM 965 N ASP A 64 3.175 1.567 5.941 1.00 0.00 N ATOM 966 CA ASP A 64 4.415 0.841 5.740 1.00 0.00 C ATOM 967 C ASP A 64 4.314 -0.564 6.308 1.00 0.00 C ATOM 968 O ASP A 64 3.362 -0.882 7.013 1.00 0.00 O ATOM 969 CB ASP A 64 5.596 1.592 6.352 1.00 0.00 C ATOM 970 CG ASP A 64 5.826 2.943 5.701 1.00 0.00 C ATOM 971 OD1 ASP A 64 5.067 3.294 4.773 1.00 0.00 O ATOM 972 OD2 ASP A 64 6.768 3.650 6.118 1.00 0.00 O ATOM 0 H ASP A 64 3.011 1.859 6.904 1.00 0.00 H new ATOM 0 HA ASP A 64 4.589 0.762 4.667 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.420 1.732 7.419 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.497 0.987 6.254 1.00 0.00 H new ATOM 977 N TYR A 65 5.289 -1.404 5.966 1.00 0.00 N ATOM 978 CA TYR A 65 5.310 -2.792 6.411 1.00 0.00 C ATOM 979 C TYR A 65 4.764 -2.938 7.822 1.00 0.00 C ATOM 980 O TYR A 65 3.944 -3.816 8.088 1.00 0.00 O ATOM 981 CB TYR A 65 6.727 -3.362 6.351 1.00 0.00 C ATOM 982 CG TYR A 65 6.808 -4.795 6.827 1.00 0.00 C ATOM 983 CD1 TYR A 65 5.936 -5.758 6.335 1.00 0.00 C ATOM 984 CD2 TYR A 65 7.744 -5.181 7.777 1.00 0.00 C ATOM 985 CE1 TYR A 65 5.996 -7.065 6.773 1.00 0.00 C ATOM 986 CE2 TYR A 65 7.813 -6.488 8.219 1.00 0.00 C ATOM 987 CZ TYR A 65 6.936 -7.426 7.715 1.00 0.00 C ATOM 988 OH TYR A 65 7.001 -8.729 8.155 1.00 0.00 O ATOM 0 H TYR A 65 6.080 -1.143 5.377 1.00 0.00 H new ATOM 0 HA TYR A 65 4.667 -3.353 5.733 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.093 -3.304 5.326 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.387 -2.745 6.960 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.199 -5.479 5.597 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.429 -4.448 8.177 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.310 -7.801 6.380 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.550 -6.774 8.955 1.00 0.00 H new ATOM 0 HH TYR A 65 7.719 -8.815 8.817 1.00 0.00 H new ATOM 998 N GLY A 66 5.220 -2.082 8.725 1.00 0.00 N ATOM 999 CA GLY A 66 4.755 -2.157 10.089 1.00 0.00 C ATOM 1000 C GLY A 66 3.330 -1.669 10.238 1.00 0.00 C ATOM 1001 O GLY A 66 2.474 -2.386 10.759 1.00 0.00 O ATOM 0 H GLY A 66 5.898 -1.344 8.537 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.822 -3.188 10.437 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.409 -1.562 10.727 1.00 0.00 H new ATOM 1005 N GLU A 67 3.073 -0.454 9.764 1.00 0.00 N ATOM 1006 CA GLU A 67 1.739 0.128 9.823 1.00 0.00 C ATOM 1007 C GLU A 67 0.723 -0.842 9.223 1.00 0.00 C ATOM 1008 O GLU A 67 -0.461 -0.820 9.563 1.00 0.00 O ATOM 1009 CB GLU A 67 1.732 1.460 9.065 1.00 0.00 C ATOM 1010 CG GLU A 67 2.716 2.476 9.628 1.00 0.00 C ATOM 1011 CD GLU A 67 3.094 3.557 8.630 1.00 0.00 C ATOM 1012 OE1 GLU A 67 2.197 4.301 8.183 1.00 0.00 O ATOM 1013 OE2 GLU A 67 4.292 3.660 8.297 1.00 0.00 O ATOM 0 H GLU A 67 3.775 0.148 9.333 1.00 0.00 H new ATOM 0 HA GLU A 67 1.464 0.313 10.861 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.970 1.276 8.017 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.727 1.882 9.094 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.281 2.942 10.512 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.618 1.958 9.952 1.00 0.00 H new ATOM 1020 N PHE A 68 1.215 -1.707 8.336 1.00 0.00 N ATOM 1021 CA PHE A 68 0.390 -2.709 7.682 1.00 0.00 C ATOM 1022 C PHE A 68 -0.089 -3.753 8.671 1.00 0.00 C ATOM 1023 O PHE A 68 -1.285 -3.898 8.922 1.00 0.00 O ATOM 1024 CB PHE A 68 1.204 -3.428 6.609 1.00 0.00 C ATOM 1025 CG PHE A 68 0.428 -4.479 5.884 1.00 0.00 C ATOM 1026 CD1 PHE A 68 -0.445 -4.130 4.874 1.00 0.00 C ATOM 1027 CD2 PHE A 68 0.558 -5.813 6.231 1.00 0.00 C ATOM 1028 CE1 PHE A 68 -1.179 -5.096 4.215 1.00 0.00 C ATOM 1029 CE2 PHE A 68 -0.170 -6.784 5.574 1.00 0.00 C ATOM 1030 CZ PHE A 68 -1.040 -6.425 4.566 1.00 0.00 C ATOM 0 H PHE A 68 2.195 -1.729 8.055 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.467 -2.196 7.246 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.571 -2.696 5.890 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.078 -3.886 7.072 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.555 -3.092 4.597 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.235 -6.096 7.023 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.861 -4.813 3.426 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.059 -7.823 5.849 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.612 -7.182 4.051 1.00 0.00 H new ATOM 1040 N ILE A 69 0.873 -4.500 9.195 1.00 0.00 N ATOM 1041 CA ILE A 69 0.597 -5.574 10.131 1.00 0.00 C ATOM 1042 C ILE A 69 -0.360 -5.130 11.228 1.00 0.00 C ATOM 1043 O ILE A 69 -1.322 -5.827 11.536 1.00 0.00 O ATOM 1044 CB ILE A 69 1.886 -6.122 10.770 1.00 0.00 C ATOM 1045 CG1 ILE A 69 3.042 -6.113 9.762 1.00 0.00 C ATOM 1046 CG2 ILE A 69 1.631 -7.532 11.256 1.00 0.00 C ATOM 1047 CD1 ILE A 69 4.311 -6.760 10.281 1.00 0.00 C ATOM 0 H ILE A 69 1.863 -4.377 8.982 1.00 0.00 H new ATOM 0 HA ILE A 69 0.127 -6.370 9.553 1.00 0.00 H new ATOM 0 HB ILE A 69 2.168 -5.485 11.609 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.726 -6.630 8.856 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.259 -5.082 9.481 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.538 -7.930 11.711 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.829 -7.523 11.994 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.342 -8.160 10.414 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.083 -6.715 9.513 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.653 -6.229 11.170 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.111 -7.801 10.534 1.00 0.00 H new ATOM 1059 N ALA A 70 -0.103 -3.966 11.811 1.00 0.00 N ATOM 1060 CA ALA A 70 -0.966 -3.446 12.864 1.00 0.00 C ATOM 1061 C ALA A 70 -2.392 -3.278 12.349 1.00 0.00 C ATOM 1062 O ALA A 70 -3.351 -3.728 12.977 1.00 0.00 O ATOM 1063 CB ALA A 70 -0.429 -2.121 13.386 1.00 0.00 C ATOM 0 H ALA A 70 0.689 -3.368 11.575 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.978 -4.161 13.686 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.085 -1.747 14.172 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.573 -2.268 13.789 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.389 -1.398 12.571 1.00 0.00 H new ATOM 1069 N ALA A 71 -2.515 -2.616 11.203 1.00 0.00 N ATOM 1070 CA ALA A 71 -3.814 -2.368 10.586 1.00 0.00 C ATOM 1071 C ALA A 71 -4.605 -3.661 10.374 1.00 0.00 C ATOM 1072 O ALA A 71 -5.834 -3.661 10.453 1.00 0.00 O ATOM 1073 CB ALA A 71 -3.633 -1.642 9.262 1.00 0.00 C ATOM 0 H ALA A 71 -1.725 -2.239 10.679 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.388 -1.742 11.269 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.608 -1.462 8.810 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.131 -0.690 9.435 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.029 -2.253 8.591 1.00 0.00 H new ATOM 1303 N VAL A 85 -13.311 2.476 22.617 1.00 0.00 N ATOM 1304 CA VAL A 85 -12.323 2.368 21.547 1.00 0.00 C ATOM 1305 C VAL A 85 -12.567 3.405 20.451 1.00 0.00 C ATOM 1306 O VAL A 85 -11.669 3.709 19.666 1.00 0.00 O ATOM 1307 CB VAL A 85 -12.327 0.957 20.923 1.00 0.00 C ATOM 1308 CG1 VAL A 85 -13.659 0.673 20.246 1.00 0.00 C ATOM 1309 CG2 VAL A 85 -11.173 0.799 19.942 1.00 0.00 C ATOM 0 HA VAL A 85 -11.349 2.556 21.999 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.192 0.228 21.722 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.641 -0.327 19.812 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.461 0.735 20.981 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -13.831 1.407 19.459 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.194 -0.203 19.513 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.269 1.537 19.145 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -10.228 0.950 20.464 1.00 0.00 H new ATOM 1319 N SER A 86 -13.787 3.940 20.402 1.00 0.00 N ATOM 1320 CA SER A 86 -14.153 4.941 19.401 1.00 0.00 C ATOM 1321 C SER A 86 -13.059 5.994 19.255 1.00 0.00 C ATOM 1322 O SER A 86 -12.605 6.281 18.146 1.00 0.00 O ATOM 1323 CB SER A 86 -15.474 5.612 19.779 1.00 0.00 C ATOM 1324 OG SER A 86 -16.518 4.661 19.880 1.00 0.00 O ATOM 0 H SER A 86 -14.540 3.696 21.046 1.00 0.00 H new ATOM 0 HA SER A 86 -14.272 4.432 18.444 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.361 6.135 20.729 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.732 6.362 19.031 1.00 0.00 H new ATOM 0 HG SER A 86 -17.351 5.115 20.124 1.00 0.00 H new ATOM 1330 N ALA A 87 -12.634 6.558 20.380 1.00 0.00 N ATOM 1331 CA ALA A 87 -11.584 7.569 20.379 1.00 0.00 C ATOM 1332 C ALA A 87 -10.224 6.925 20.153 1.00 0.00 C ATOM 1333 O ALA A 87 -9.475 7.326 19.267 1.00 0.00 O ATOM 1334 CB ALA A 87 -11.599 8.336 21.686 1.00 0.00 C ATOM 0 H ALA A 87 -13.001 6.332 21.305 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.771 8.267 19.563 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.811 9.089 21.675 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.566 8.824 21.810 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.431 7.647 22.514 1.00 0.00 H new ATOM 1340 N PHE A 88 -9.930 5.903 20.954 1.00 0.00 N ATOM 1341 CA PHE A 88 -8.677 5.156 20.851 1.00 0.00 C ATOM 1342 C PHE A 88 -8.354 4.879 19.389 1.00 0.00 C ATOM 1343 O PHE A 88 -7.194 4.733 19.006 1.00 0.00 O ATOM 1344 CB PHE A 88 -8.828 3.842 21.624 1.00 0.00 C ATOM 1345 CG PHE A 88 -7.539 3.152 21.958 1.00 0.00 C ATOM 1346 CD1 PHE A 88 -6.409 3.880 22.286 1.00 0.00 C ATOM 1347 CD2 PHE A 88 -7.468 1.770 21.966 1.00 0.00 C ATOM 1348 CE1 PHE A 88 -5.232 3.241 22.614 1.00 0.00 C ATOM 1349 CE2 PHE A 88 -6.292 1.126 22.292 1.00 0.00 C ATOM 1350 CZ PHE A 88 -5.172 1.862 22.616 1.00 0.00 C ATOM 0 H PHE A 88 -10.551 5.570 21.691 1.00 0.00 H new ATOM 0 HA PHE A 88 -7.859 5.738 21.275 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -9.366 4.043 22.550 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -9.446 3.162 21.038 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -6.449 4.959 22.285 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -8.343 1.189 21.714 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.357 3.820 22.869 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.249 0.047 22.293 1.00 0.00 H new ATOM 0 HZ PHE A 88 -4.250 1.361 22.871 1.00 0.00 H new ATOM 1360 N SER A 89 -9.403 4.819 18.581 1.00 0.00 N ATOM 1361 CA SER A 89 -9.272 4.573 17.157 1.00 0.00 C ATOM 1362 C SER A 89 -9.107 5.875 16.376 1.00 0.00 C ATOM 1363 O SER A 89 -8.123 6.049 15.658 1.00 0.00 O ATOM 1364 CB SER A 89 -10.490 3.802 16.663 1.00 0.00 C ATOM 1365 OG SER A 89 -10.346 3.422 15.310 1.00 0.00 O ATOM 0 H SER A 89 -10.366 4.940 18.896 1.00 0.00 H new ATOM 0 HA SER A 89 -8.373 3.980 16.989 1.00 0.00 H new ATOM 0 HB2 SER A 89 -10.634 2.914 17.278 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.383 4.417 16.777 1.00 0.00 H new ATOM 0 HG SER A 89 -11.012 3.892 14.766 1.00 0.00 H new ATOM 1371 N TYR A 90 -10.077 6.785 16.500 1.00 0.00 N ATOM 1372 CA TYR A 90 -10.014 8.048 15.779 1.00 0.00 C ATOM 1373 C TYR A 90 -9.185 9.088 16.531 1.00 0.00 C ATOM 1374 O TYR A 90 -8.226 9.621 15.970 1.00 0.00 O ATOM 1375 CB TYR A 90 -11.412 8.580 15.493 1.00 0.00 C ATOM 1376 CG TYR A 90 -11.429 9.675 14.443 1.00 0.00 C ATOM 1377 CD1 TYR A 90 -10.862 9.474 13.181 1.00 0.00 C ATOM 1378 CD2 TYR A 90 -12.005 10.909 14.709 1.00 0.00 C ATOM 1379 CE1 TYR A 90 -10.874 10.470 12.229 1.00 0.00 C ATOM 1380 CE2 TYR A 90 -12.020 11.912 13.757 1.00 0.00 C ATOM 1381 CZ TYR A 90 -11.452 11.687 12.519 1.00 0.00 C ATOM 1382 OH TYR A 90 -11.465 12.683 11.569 1.00 0.00 O ATOM 0 H TYR A 90 -10.903 6.669 17.086 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.516 7.855 14.829 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -12.046 7.758 15.162 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -11.844 8.964 16.417 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -10.407 8.522 12.948 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -12.449 11.089 15.677 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.432 10.298 11.259 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -12.474 12.866 13.981 1.00 0.00 H new ATOM 0 HH TYR A 90 -11.911 13.476 11.933 1.00 0.00 H new ATOM 1392 N PHE A 91 -9.509 9.369 17.804 1.00 0.00 N ATOM 1393 CA PHE A 91 -8.721 10.328 18.580 1.00 0.00 C ATOM 1394 C PHE A 91 -7.282 9.858 18.593 1.00 0.00 C ATOM 1395 O PHE A 91 -6.416 10.504 18.008 1.00 0.00 O ATOM 1396 CB PHE A 91 -9.262 10.465 20.006 1.00 0.00 C ATOM 1397 CG PHE A 91 -10.556 11.229 20.093 1.00 0.00 C ATOM 1398 CD1 PHE A 91 -11.629 10.910 19.273 1.00 0.00 C ATOM 1399 CD2 PHE A 91 -10.698 12.268 20.998 1.00 0.00 C ATOM 1400 CE1 PHE A 91 -12.815 11.616 19.353 1.00 0.00 C ATOM 1401 CE2 PHE A 91 -11.882 12.976 21.083 1.00 0.00 C ATOM 1402 CZ PHE A 91 -12.941 12.649 20.260 1.00 0.00 C ATOM 0 H PHE A 91 -10.294 8.954 18.305 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.787 11.314 18.119 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.409 9.470 20.426 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.514 10.964 20.622 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -11.537 10.101 18.564 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.873 12.528 21.645 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -13.642 11.360 18.707 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -11.979 13.784 21.793 1.00 0.00 H new ATOM 0 HZ PHE A 91 -13.867 13.201 20.326 1.00 0.00 H new ATOM 1412 N ASP A 92 -7.039 8.701 19.222 1.00 0.00 N ATOM 1413 CA ASP A 92 -5.707 8.114 19.231 1.00 0.00 C ATOM 1414 C ASP A 92 -5.427 7.564 17.840 1.00 0.00 C ATOM 1415 O ASP A 92 -5.296 6.357 17.640 1.00 0.00 O ATOM 1416 CB ASP A 92 -5.606 6.997 20.274 1.00 0.00 C ATOM 1417 CG ASP A 92 -4.212 6.400 20.352 1.00 0.00 C ATOM 1418 OD1 ASP A 92 -3.320 6.871 19.614 1.00 0.00 O ATOM 1419 OD2 ASP A 92 -4.008 5.468 21.155 1.00 0.00 O ATOM 0 H ASP A 92 -7.744 8.163 19.725 1.00 0.00 H new ATOM 0 HA ASP A 92 -4.972 8.874 19.495 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.885 7.391 21.252 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.321 6.211 20.031 1.00 0.00 H new ATOM 1424 N LYS A 93 -5.395 8.475 16.879 1.00 0.00 N ATOM 1425 CA LYS A 93 -5.197 8.142 15.488 1.00 0.00 C ATOM 1426 C LYS A 93 -3.983 7.258 15.277 1.00 0.00 C ATOM 1427 O LYS A 93 -4.018 6.341 14.456 1.00 0.00 O ATOM 1428 CB LYS A 93 -5.062 9.421 14.671 1.00 0.00 C ATOM 1429 CG LYS A 93 -5.377 9.232 13.197 1.00 0.00 C ATOM 1430 CD LYS A 93 -5.539 10.567 12.489 1.00 0.00 C ATOM 1431 CE LYS A 93 -6.770 11.313 12.984 1.00 0.00 C ATOM 1432 NZ LYS A 93 -6.886 12.666 12.372 1.00 0.00 N ATOM 0 H LYS A 93 -5.507 9.474 17.051 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.068 7.578 15.154 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.729 10.178 15.083 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.046 9.802 14.772 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.578 8.662 12.723 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.292 8.649 13.091 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.651 11.178 12.653 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.619 10.403 11.414 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -7.663 10.733 12.752 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.724 11.408 14.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.737 13.140 12.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.046 13.230 12.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.956 12.575 11.338 1.00 0.00 H new ATOM 1446 N ASP A 94 -2.906 7.525 16.004 1.00 0.00 N ATOM 1447 CA ASP A 94 -1.715 6.718 15.842 1.00 0.00 C ATOM 1448 C ASP A 94 -1.931 5.336 16.443 1.00 0.00 C ATOM 1449 O ASP A 94 -1.283 4.373 16.035 1.00 0.00 O ATOM 1450 CB ASP A 94 -0.521 7.407 16.500 1.00 0.00 C ATOM 1451 CG ASP A 94 -0.119 8.684 15.785 1.00 0.00 C ATOM 1452 OD1 ASP A 94 -0.766 9.028 14.772 1.00 0.00 O ATOM 1453 OD2 ASP A 94 0.843 9.340 16.236 1.00 0.00 O ATOM 0 H ASP A 94 -2.836 8.274 16.693 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.507 6.604 14.778 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -0.765 7.637 17.537 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.326 6.721 16.516 1.00 0.00 H new ATOM 1458 N GLY A 95 -2.847 5.237 17.410 1.00 0.00 N ATOM 1459 CA GLY A 95 -3.125 3.969 18.038 1.00 0.00 C ATOM 1460 C GLY A 95 -1.866 3.207 18.376 1.00 0.00 C ATOM 1461 O GLY A 95 -1.639 2.104 17.879 1.00 0.00 O ATOM 0 H GLY A 95 -3.398 6.019 17.764 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -3.701 4.136 18.948 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -3.745 3.366 17.374 1.00 0.00 H new ATOM 1465 N SER A 96 -1.082 3.776 19.278 1.00 0.00 N ATOM 1466 CA SER A 96 0.129 3.153 19.771 1.00 0.00 C ATOM 1467 C SER A 96 -0.090 2.964 21.257 1.00 0.00 C ATOM 1468 O SER A 96 0.812 2.632 22.027 1.00 0.00 O ATOM 1469 CB SER A 96 1.349 4.036 19.501 1.00 0.00 C ATOM 1470 OG SER A 96 1.204 5.303 20.116 1.00 0.00 O ATOM 0 H SER A 96 -1.272 4.690 19.689 1.00 0.00 H new ATOM 0 HA SER A 96 0.326 2.204 19.271 1.00 0.00 H new ATOM 0 HB2 SER A 96 2.247 3.546 19.877 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.480 4.162 18.426 1.00 0.00 H new ATOM 0 HG SER A 96 1.678 5.306 20.974 1.00 0.00 H new ATOM 1476 N GLY A 97 -1.352 3.182 21.610 1.00 0.00 N ATOM 1477 CA GLY A 97 -1.823 3.052 22.958 1.00 0.00 C ATOM 1478 C GLY A 97 -1.889 4.373 23.681 1.00 0.00 C ATOM 1479 O GLY A 97 -2.189 4.415 24.874 1.00 0.00 O ATOM 0 H GLY A 97 -2.077 3.458 20.948 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.813 2.597 22.950 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.166 2.376 23.505 1.00 0.00 H new ATOM 1483 N TYR A 98 -1.611 5.463 22.967 1.00 0.00 N ATOM 1484 CA TYR A 98 -1.653 6.771 23.584 1.00 0.00 C ATOM 1485 C TYR A 98 -1.665 7.932 22.589 1.00 0.00 C ATOM 1486 O TYR A 98 -1.051 7.889 21.522 1.00 0.00 O ATOM 1487 CB TYR A 98 -0.488 6.929 24.551 1.00 0.00 C ATOM 1488 CG TYR A 98 0.842 6.429 24.036 1.00 0.00 C ATOM 1489 CD1 TYR A 98 1.423 6.965 22.895 1.00 0.00 C ATOM 1490 CD2 TYR A 98 1.527 5.428 24.712 1.00 0.00 C ATOM 1491 CE1 TYR A 98 2.646 6.514 22.438 1.00 0.00 C ATOM 1492 CE2 TYR A 98 2.751 4.974 24.264 1.00 0.00 C ATOM 1493 CZ TYR A 98 3.307 5.519 23.126 1.00 0.00 C ATOM 1494 OH TYR A 98 4.527 5.068 22.676 1.00 0.00 O ATOM 0 H TYR A 98 -1.359 5.460 21.979 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.602 6.820 24.117 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -0.388 7.984 24.807 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -0.726 6.399 25.473 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.910 7.748 22.356 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.095 4.998 25.603 1.00 0.00 H new ATOM 0 HE1 TYR A 98 3.082 6.939 21.546 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.271 4.195 24.802 1.00 0.00 H new ATOM 0 HH TYR A 98 4.858 4.367 23.275 1.00 0.00 H new ATOM 1504 N ILE A 99 -2.396 8.966 22.988 1.00 0.00 N ATOM 1505 CA ILE A 99 -2.567 10.195 22.217 1.00 0.00 C ATOM 1506 C ILE A 99 -1.703 11.297 22.807 1.00 0.00 C ATOM 1507 O ILE A 99 -1.584 11.383 24.016 1.00 0.00 O ATOM 1508 CB ILE A 99 -4.029 10.686 22.291 1.00 0.00 C ATOM 1509 CG1 ILE A 99 -4.985 9.574 21.909 1.00 0.00 C ATOM 1510 CG2 ILE A 99 -4.238 11.902 21.403 1.00 0.00 C ATOM 1511 CD1 ILE A 99 -6.443 9.963 22.027 1.00 0.00 C ATOM 0 H ILE A 99 -2.898 8.975 23.876 1.00 0.00 H new ATOM 0 HA ILE A 99 -2.288 9.979 21.186 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.237 10.979 23.320 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.781 9.267 20.883 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.796 8.709 22.544 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -5.275 12.229 21.472 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -3.581 12.708 21.729 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.008 11.642 20.370 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.069 9.119 21.738 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -6.663 10.242 23.058 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -6.648 10.809 21.371 1.00 0.00 H new ATOM 1523 N THR A 100 -1.105 12.135 21.966 1.00 0.00 N ATOM 1524 CA THR A 100 -0.270 13.221 22.457 1.00 0.00 C ATOM 1525 C THR A 100 -0.943 14.560 22.200 1.00 0.00 C ATOM 1526 O THR A 100 -1.818 14.662 21.340 1.00 0.00 O ATOM 1527 CB THR A 100 1.104 13.189 21.784 1.00 0.00 C ATOM 1528 OG1 THR A 100 0.979 13.329 20.381 1.00 0.00 O ATOM 1529 CG2 THR A 100 1.872 11.913 22.053 1.00 0.00 C ATOM 0 H THR A 100 -1.183 12.083 20.950 1.00 0.00 H new ATOM 0 HA THR A 100 -0.135 13.092 23.531 1.00 0.00 H new ATOM 0 HB THR A 100 1.656 14.024 22.215 1.00 0.00 H new ATOM 0 HG1 THR A 100 1.868 13.308 19.970 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.837 11.955 21.547 1.00 0.00 H new ATOM 0 HG22 THR A 100 2.029 11.802 23.126 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.304 11.061 21.680 1.00 0.00 H new ATOM 1537 N LEU A 101 -0.521 15.583 22.943 1.00 0.00 N ATOM 1538 CA LEU A 101 -1.069 16.925 22.786 1.00 0.00 C ATOM 1539 C LEU A 101 -1.339 17.241 21.318 1.00 0.00 C ATOM 1540 O LEU A 101 -2.323 17.892 20.986 1.00 0.00 O ATOM 1541 CB LEU A 101 -0.102 17.964 23.348 1.00 0.00 C ATOM 1542 CG LEU A 101 1.315 17.894 22.780 1.00 0.00 C ATOM 1543 CD1 LEU A 101 1.990 19.255 22.873 1.00 0.00 C ATOM 1544 CD2 LEU A 101 2.139 16.846 23.516 1.00 0.00 C ATOM 0 H LEU A 101 0.200 15.505 23.660 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.010 16.962 23.336 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.507 18.958 23.156 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.051 17.844 24.430 1.00 0.00 H new ATOM 0 HG LEU A 101 1.249 17.606 21.731 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.999 19.190 22.465 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.415 19.986 22.304 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.041 19.566 23.917 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.144 16.813 23.096 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.196 17.105 24.573 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.667 15.869 23.406 1.00 0.00 H new ATOM 1556 N ASP A 102 -0.453 16.772 20.443 1.00 0.00 N ATOM 1557 CA ASP A 102 -0.592 17.002 19.008 1.00 0.00 C ATOM 1558 C ASP A 102 -1.887 16.389 18.489 1.00 0.00 C ATOM 1559 O ASP A 102 -2.748 17.090 17.958 1.00 0.00 O ATOM 1560 CB ASP A 102 0.606 16.412 18.260 1.00 0.00 C ATOM 1561 CG ASP A 102 0.565 16.694 16.770 1.00 0.00 C ATOM 1562 OD1 ASP A 102 -0.374 17.382 16.319 1.00 0.00 O ATOM 1563 OD2 ASP A 102 1.478 16.230 16.054 1.00 0.00 O ATOM 0 H ASP A 102 0.370 16.229 20.704 1.00 0.00 H new ATOM 0 HA ASP A 102 -0.624 18.077 18.833 1.00 0.00 H new ATOM 0 HB2 ASP A 102 1.526 16.821 18.677 1.00 0.00 H new ATOM 0 HB3 ASP A 102 0.634 15.334 18.421 1.00 0.00 H new ATOM 1568 N GLU A 103 -2.019 15.076 18.655 1.00 0.00 N ATOM 1569 CA GLU A 103 -3.212 14.365 18.214 1.00 0.00 C ATOM 1570 C GLU A 103 -4.450 14.903 18.914 1.00 0.00 C ATOM 1571 O GLU A 103 -5.565 14.759 18.419 1.00 0.00 O ATOM 1572 CB GLU A 103 -3.070 12.871 18.494 1.00 0.00 C ATOM 1573 CG GLU A 103 -1.994 12.189 17.666 1.00 0.00 C ATOM 1574 CD GLU A 103 -1.881 10.708 17.966 1.00 0.00 C ATOM 1575 OE1 GLU A 103 -2.883 9.987 17.779 1.00 0.00 O ATOM 1576 OE2 GLU A 103 -0.792 10.270 18.390 1.00 0.00 O ATOM 0 H GLU A 103 -1.313 14.484 19.092 1.00 0.00 H new ATOM 0 HA GLU A 103 -3.323 14.520 17.141 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -2.846 12.729 19.551 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.026 12.383 18.303 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.214 12.326 16.607 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -1.034 12.669 17.857 1.00 0.00 H new ATOM 1583 N ILE A 104 -4.242 15.524 20.067 1.00 0.00 N ATOM 1584 CA ILE A 104 -5.334 16.091 20.847 1.00 0.00 C ATOM 1585 C ILE A 104 -5.832 17.394 20.230 1.00 0.00 C ATOM 1586 O ILE A 104 -6.995 17.506 19.842 1.00 0.00 O ATOM 1587 CB ILE A 104 -4.890 16.360 22.296 1.00 0.00 C ATOM 1588 CG1 ILE A 104 -4.565 15.050 23.014 1.00 0.00 C ATOM 1589 CG2 ILE A 104 -5.964 17.129 23.051 1.00 0.00 C ATOM 1590 CD1 ILE A 104 -3.782 15.249 24.294 1.00 0.00 C ATOM 0 H ILE A 104 -3.320 15.648 20.485 1.00 0.00 H new ATOM 0 HA ILE A 104 -6.145 15.362 20.845 1.00 0.00 H new ATOM 0 HB ILE A 104 -3.986 16.968 22.268 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -5.494 14.528 23.242 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -3.995 14.407 22.343 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -5.632 17.309 24.073 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -6.146 18.082 22.555 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -6.885 16.547 23.067 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.584 14.281 24.754 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.837 15.744 24.069 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -4.360 15.866 24.982 1.00 0.00 H new ATOM 1602 N GLN A 105 -4.941 18.380 20.154 1.00 0.00 N ATOM 1603 CA GLN A 105 -5.280 19.683 19.596 1.00 0.00 C ATOM 1604 C GLN A 105 -5.843 19.534 18.184 1.00 0.00 C ATOM 1605 O GLN A 105 -6.715 20.301 17.770 1.00 0.00 O ATOM 1606 CB GLN A 105 -4.050 20.599 19.577 1.00 0.00 C ATOM 1607 CG GLN A 105 -3.303 20.688 20.904 1.00 0.00 C ATOM 1608 CD GLN A 105 -4.207 20.914 22.102 1.00 0.00 C ATOM 1609 OE1 GLN A 105 -4.973 20.033 22.489 1.00 0.00 O ATOM 1610 NE2 GLN A 105 -4.116 22.099 22.703 1.00 0.00 N ATOM 0 H GLN A 105 -3.976 18.299 20.474 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.043 20.135 20.230 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.361 20.244 18.811 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -4.364 21.601 19.284 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.739 19.768 21.055 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.579 21.501 20.849 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -3.467 22.802 22.349 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.695 22.304 23.517 1.00 0.00 H new ATOM 1619 N GLN A 106 -5.344 18.543 17.449 1.00 0.00 N ATOM 1620 CA GLN A 106 -5.804 18.294 16.085 1.00 0.00 C ATOM 1621 C GLN A 106 -7.117 17.518 16.084 1.00 0.00 C ATOM 1622 O GLN A 106 -7.927 17.650 15.167 1.00 0.00 O ATOM 1623 CB GLN A 106 -4.743 17.529 15.291 1.00 0.00 C ATOM 1624 CG GLN A 106 -3.456 18.312 15.083 1.00 0.00 C ATOM 1625 CD GLN A 106 -2.444 17.578 14.219 1.00 0.00 C ATOM 1626 OE1 GLN A 106 -2.793 16.377 13.770 1.00 0.00 O flip ATOM 1627 NE2 GLN A 106 -1.355 18.090 13.955 1.00 0.00 N flip ATOM 0 H GLN A 106 -4.622 17.900 17.774 1.00 0.00 H new ATOM 0 HA GLN A 106 -5.974 19.259 15.608 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.513 16.599 15.811 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -5.154 17.257 14.319 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.692 19.271 14.621 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.008 18.527 16.053 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -1.124 19.015 14.319 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -0.684 17.589 13.372 1.00 0.00 H new ATOM 1636 N ALA A 107 -7.325 16.714 17.124 1.00 0.00 N ATOM 1637 CA ALA A 107 -8.544 15.922 17.250 1.00 0.00 C ATOM 1638 C ALA A 107 -9.755 16.819 17.455 1.00 0.00 C ATOM 1639 O ALA A 107 -10.892 16.346 17.500 1.00 0.00 O ATOM 1640 CB ALA A 107 -8.425 14.938 18.404 1.00 0.00 C ATOM 0 H ALA A 107 -6.664 16.594 17.892 1.00 0.00 H new ATOM 0 HA ALA A 107 -8.679 15.364 16.323 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -9.343 14.356 18.482 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -7.585 14.267 18.225 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -8.261 15.485 19.333 1.00 0.00 H new ATOM 1646 N CYS A 108 -9.505 18.118 17.579 1.00 0.00 N ATOM 1647 CA CYS A 108 -10.568 19.090 17.780 1.00 0.00 C ATOM 1648 C CYS A 108 -10.652 20.044 16.592 1.00 0.00 C ATOM 1649 O CYS A 108 -10.178 21.178 16.657 1.00 0.00 O ATOM 1650 CB CYS A 108 -10.315 19.874 19.066 1.00 0.00 C ATOM 1651 SG CYS A 108 -10.281 18.857 20.562 1.00 0.00 S ATOM 0 H CYS A 108 -8.569 18.522 17.543 1.00 0.00 H new ATOM 0 HA CYS A 108 -11.517 18.560 17.864 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -9.364 20.400 18.976 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -11.090 20.633 19.174 1.00 0.00 H new ATOM 0 HG CYS A 108 -9.162 18.197 20.613 1.00 0.00 H new ATOM 1657 N LYS A 109 -11.248 19.570 15.503 1.00 0.00 N ATOM 1658 CA LYS A 109 -11.385 20.372 14.292 1.00 0.00 C ATOM 1659 C LYS A 109 -12.543 21.360 14.405 1.00 0.00 C ATOM 1660 O LYS A 109 -12.368 22.561 14.196 1.00 0.00 O ATOM 1661 CB LYS A 109 -11.594 19.459 13.082 1.00 0.00 C ATOM 1662 CG LYS A 109 -10.468 18.457 12.880 1.00 0.00 C ATOM 1663 CD LYS A 109 -10.753 17.527 11.712 1.00 0.00 C ATOM 1664 CE LYS A 109 -9.644 16.503 11.532 1.00 0.00 C ATOM 1665 NZ LYS A 109 -8.330 17.151 11.259 1.00 0.00 N ATOM 0 H LYS A 109 -11.645 18.633 15.434 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.466 20.944 14.162 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.534 18.919 13.201 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.690 20.072 12.186 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -9.533 18.989 12.703 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.334 17.871 13.789 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -11.700 17.014 11.877 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -10.862 18.111 10.798 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -9.567 15.889 12.430 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -9.897 15.834 10.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -7.652 16.435 10.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -8.448 17.881 10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -7.971 17.589 12.131 1.00 0.00 H new ATOM 1679 N ASP A 110 -13.725 20.847 14.727 1.00 0.00 N ATOM 1680 CA ASP A 110 -14.916 21.680 14.858 1.00 0.00 C ATOM 1681 C ASP A 110 -14.901 22.454 16.176 1.00 0.00 C ATOM 1682 O ASP A 110 -15.635 23.428 16.344 1.00 0.00 O ATOM 1683 CB ASP A 110 -16.173 20.806 14.767 1.00 0.00 C ATOM 1684 CG ASP A 110 -17.460 21.610 14.785 1.00 0.00 C ATOM 1685 OD1 ASP A 110 -17.759 22.238 15.822 1.00 0.00 O ATOM 1686 OD2 ASP A 110 -18.172 21.611 13.758 1.00 0.00 O ATOM 0 H ASP A 110 -13.885 19.855 14.903 1.00 0.00 H new ATOM 0 HA ASP A 110 -14.923 22.404 14.044 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -16.133 20.216 13.851 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -16.180 20.102 15.599 1.00 0.00 H new ATOM 1691 N PHE A 111 -14.058 22.017 17.105 1.00 0.00 N ATOM 1692 CA PHE A 111 -13.949 22.667 18.406 1.00 0.00 C ATOM 1693 C PHE A 111 -13.449 24.102 18.285 1.00 0.00 C ATOM 1694 O PHE A 111 -14.088 25.033 18.777 1.00 0.00 O ATOM 1695 CB PHE A 111 -13.013 21.880 19.327 1.00 0.00 C ATOM 1696 CG PHE A 111 -13.631 20.639 19.911 1.00 0.00 C ATOM 1697 CD1 PHE A 111 -14.061 19.603 19.094 1.00 0.00 C ATOM 1698 CD2 PHE A 111 -13.775 20.506 21.284 1.00 0.00 C ATOM 1699 CE1 PHE A 111 -14.624 18.463 19.635 1.00 0.00 C ATOM 1700 CE2 PHE A 111 -14.338 19.367 21.829 1.00 0.00 C ATOM 1701 CZ PHE A 111 -14.762 18.345 21.004 1.00 0.00 C ATOM 0 H PHE A 111 -13.440 21.215 16.981 1.00 0.00 H new ATOM 0 HA PHE A 111 -14.951 22.688 18.835 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -12.120 21.600 18.768 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -12.689 22.530 20.140 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -13.954 19.689 18.023 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -13.443 21.301 21.935 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -14.956 17.665 18.988 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -14.446 19.277 22.900 1.00 0.00 H new ATOM 0 HZ PHE A 111 -15.201 17.454 21.428 1.00 0.00 H new ATOM 1711 N GLY A 112 -12.284 24.273 17.670 1.00 0.00 N ATOM 1712 CA GLY A 112 -11.707 25.598 17.553 1.00 0.00 C ATOM 1713 C GLY A 112 -10.418 25.700 18.341 1.00 0.00 C ATOM 1714 O GLY A 112 -10.152 26.713 18.989 1.00 0.00 O ATOM 0 H GLY A 112 -11.732 23.523 17.253 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -11.515 25.824 16.504 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -12.418 26.341 17.914 1.00 0.00 H new ATOM 1718 N LEU A 113 -9.640 24.617 18.297 1.00 0.00 N ATOM 1719 CA LEU A 113 -8.372 24.513 19.018 1.00 0.00 C ATOM 1720 C LEU A 113 -7.662 25.852 19.130 1.00 0.00 C ATOM 1721 O LEU A 113 -7.389 26.522 18.133 1.00 0.00 O ATOM 1722 CB LEU A 113 -7.477 23.470 18.317 1.00 0.00 C ATOM 1723 CG LEU A 113 -5.989 23.429 18.717 1.00 0.00 C ATOM 1724 CD1 LEU A 113 -5.199 24.531 18.026 1.00 0.00 C ATOM 1725 CD2 LEU A 113 -5.821 23.525 20.227 1.00 0.00 C ATOM 0 H LEU A 113 -9.874 23.784 17.757 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.582 24.191 20.038 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -7.902 22.483 18.500 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -7.532 23.646 17.243 1.00 0.00 H new ATOM 0 HG LEU A 113 -5.592 22.468 18.388 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.154 24.474 18.329 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.270 24.407 16.945 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.606 25.502 18.308 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.761 23.493 20.478 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.250 24.462 20.582 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -6.332 22.688 20.704 1.00 0.00 H new ATOM 1737 N ASP A 114 -7.372 26.227 20.372 1.00 0.00 N ATOM 1738 CA ASP A 114 -6.693 27.478 20.664 1.00 0.00 C ATOM 1739 C ASP A 114 -5.872 27.348 21.945 1.00 0.00 C ATOM 1740 O ASP A 114 -5.930 26.326 22.630 1.00 0.00 O ATOM 1741 CB ASP A 114 -7.714 28.612 20.797 1.00 0.00 C ATOM 1742 CG ASP A 114 -7.093 29.989 20.644 1.00 0.00 C ATOM 1743 OD1 ASP A 114 -5.904 30.069 20.269 1.00 0.00 O ATOM 1744 OD2 ASP A 114 -7.802 30.989 20.881 1.00 0.00 O ATOM 0 H ASP A 114 -7.601 25.674 21.198 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.017 27.711 19.842 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -8.491 28.484 20.044 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.199 28.544 21.771 1.00 0.00 H new ATOM 1749 N ASP A 115 -5.101 28.383 22.253 1.00 0.00 N ATOM 1750 CA ASP A 115 -4.252 28.394 23.439 1.00 0.00 C ATOM 1751 C ASP A 115 -5.049 28.677 24.711 1.00 0.00 C ATOM 1752 O ASP A 115 -4.504 28.616 25.814 1.00 0.00 O ATOM 1753 CB ASP A 115 -3.142 29.433 23.283 1.00 0.00 C ATOM 1754 CG ASP A 115 -2.223 29.125 22.117 1.00 0.00 C ATOM 1755 OD1 ASP A 115 -2.719 29.050 20.974 1.00 0.00 O ATOM 1756 OD2 ASP A 115 -1.007 28.958 22.349 1.00 0.00 O ATOM 0 H ASP A 115 -5.046 29.233 21.693 1.00 0.00 H new ATOM 0 HA ASP A 115 -3.814 27.400 23.535 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -3.587 30.418 23.141 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -2.557 29.477 24.202 1.00 0.00 H new ATOM 1761 N ILE A 116 -6.323 29.017 24.562 1.00 0.00 N ATOM 1762 CA ILE A 116 -7.153 29.337 25.719 1.00 0.00 C ATOM 1763 C ILE A 116 -7.707 28.094 26.424 1.00 0.00 C ATOM 1764 O ILE A 116 -7.374 27.838 27.581 1.00 0.00 O ATOM 1765 CB ILE A 116 -8.329 30.251 25.321 1.00 0.00 C ATOM 1766 CG1 ILE A 116 -7.804 31.516 24.634 1.00 0.00 C ATOM 1767 CG2 ILE A 116 -9.159 30.609 26.546 1.00 0.00 C ATOM 1768 CD1 ILE A 116 -8.899 32.454 24.161 1.00 0.00 C ATOM 0 H ILE A 116 -6.801 29.078 23.663 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.496 29.854 26.418 1.00 0.00 H new ATOM 0 HB ILE A 116 -8.969 29.716 24.619 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -7.154 32.051 25.326 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.192 31.227 23.780 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -9.986 31.255 26.249 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -9.554 29.698 26.997 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -8.533 31.131 27.270 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -8.451 33.326 23.685 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -9.536 31.937 23.444 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -9.498 32.774 25.014 1.00 0.00 H new ATOM 1780 N HIS A 117 -8.573 27.339 25.745 1.00 0.00 N ATOM 1781 CA HIS A 117 -9.183 26.151 26.355 1.00 0.00 C ATOM 1782 C HIS A 117 -8.407 24.873 26.077 1.00 0.00 C ATOM 1783 O HIS A 117 -7.839 24.267 26.980 1.00 0.00 O ATOM 1784 CB HIS A 117 -10.610 25.964 25.844 1.00 0.00 C ATOM 1785 CG HIS A 117 -11.318 27.240 25.528 1.00 0.00 C ATOM 1786 ND1 HIS A 117 -11.639 28.189 26.474 1.00 0.00 N ATOM 1787 CD2 HIS A 117 -11.763 27.720 24.346 1.00 0.00 C ATOM 1788 CE1 HIS A 117 -12.257 29.198 25.887 1.00 0.00 C ATOM 1789 NE2 HIS A 117 -12.344 28.939 24.594 1.00 0.00 N ATOM 0 H HIS A 117 -8.866 27.523 24.786 1.00 0.00 H new ATOM 0 HA HIS A 117 -9.173 26.328 27.430 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -10.585 25.344 24.948 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -11.184 25.419 26.593 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -11.678 27.235 23.385 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -12.628 30.084 26.380 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -12.773 29.545 23.895 1.00 0.00 H new ATOM 1798 N ILE A 118 -8.434 24.446 24.826 1.00 0.00 N ATOM 1799 CA ILE A 118 -7.782 23.210 24.429 1.00 0.00 C ATOM 1800 C ILE A 118 -6.302 23.164 24.825 1.00 0.00 C ATOM 1801 O ILE A 118 -5.708 22.089 24.898 1.00 0.00 O ATOM 1802 CB ILE A 118 -7.951 22.956 22.920 1.00 0.00 C ATOM 1803 CG1 ILE A 118 -9.445 22.925 22.574 1.00 0.00 C ATOM 1804 CG2 ILE A 118 -7.282 21.651 22.522 1.00 0.00 C ATOM 1805 CD1 ILE A 118 -9.745 22.428 21.176 1.00 0.00 C ATOM 0 H ILE A 118 -8.902 24.939 24.066 1.00 0.00 H new ATOM 0 HA ILE A 118 -8.279 22.409 24.977 1.00 0.00 H new ATOM 0 HB ILE A 118 -7.472 23.762 22.364 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -9.960 22.288 23.293 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -9.854 23.929 22.687 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.411 21.487 21.452 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -6.218 21.701 22.755 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -7.736 20.827 23.073 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -10.822 22.437 21.010 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -9.260 23.078 20.447 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.369 21.411 21.063 1.00 0.00 H new ATOM 1817 N ASP A 119 -5.714 24.324 25.099 1.00 0.00 N ATOM 1818 CA ASP A 119 -4.303 24.389 25.497 1.00 0.00 C ATOM 1819 C ASP A 119 -4.106 23.821 26.894 1.00 0.00 C ATOM 1820 O ASP A 119 -3.451 22.795 27.062 1.00 0.00 O ATOM 1821 CB ASP A 119 -3.789 25.820 25.463 1.00 0.00 C ATOM 1822 CG ASP A 119 -2.296 25.903 25.717 1.00 0.00 C ATOM 1823 OD1 ASP A 119 -1.527 25.304 24.936 1.00 0.00 O ATOM 1824 OD2 ASP A 119 -1.898 26.566 26.698 1.00 0.00 O ATOM 0 H ASP A 119 -6.184 25.228 25.055 1.00 0.00 H new ATOM 0 HA ASP A 119 -3.738 23.791 24.782 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -4.015 26.262 24.492 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -4.316 26.411 26.212 1.00 0.00 H new ATOM 1829 N ASP A 120 -4.684 24.477 27.900 1.00 0.00 N ATOM 1830 CA ASP A 120 -4.566 23.987 29.268 1.00 0.00 C ATOM 1831 C ASP A 120 -5.194 22.603 29.333 1.00 0.00 C ATOM 1832 O ASP A 120 -4.950 21.833 30.255 1.00 0.00 O ATOM 1833 CB ASP A 120 -5.218 24.949 30.274 1.00 0.00 C ATOM 1834 CG ASP A 120 -6.728 25.053 30.140 1.00 0.00 C ATOM 1835 OD1 ASP A 120 -7.313 24.307 29.333 1.00 0.00 O ATOM 1836 OD2 ASP A 120 -7.327 25.879 30.860 1.00 0.00 O ATOM 0 H ASP A 120 -5.228 25.333 27.795 1.00 0.00 H new ATOM 0 HA ASP A 120 -3.513 23.927 29.545 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -4.975 24.621 31.285 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -4.783 25.940 30.147 1.00 0.00 H new ATOM 1841 N MET A 121 -5.990 22.313 28.306 1.00 0.00 N ATOM 1842 CA MET A 121 -6.671 21.042 28.149 1.00 0.00 C ATOM 1843 C MET A 121 -5.639 19.924 28.049 1.00 0.00 C ATOM 1844 O MET A 121 -5.841 18.821 28.550 1.00 0.00 O ATOM 1845 CB MET A 121 -7.538 21.091 26.893 1.00 0.00 C ATOM 1846 CG MET A 121 -8.727 20.162 26.936 1.00 0.00 C ATOM 1847 SD MET A 121 -9.583 20.032 25.354 1.00 0.00 S ATOM 1848 CE MET A 121 -8.375 19.128 24.390 1.00 0.00 C ATOM 0 H MET A 121 -6.179 22.970 27.549 1.00 0.00 H new ATOM 0 HA MET A 121 -7.310 20.849 29.011 1.00 0.00 H new ATOM 0 HB2 MET A 121 -7.891 22.112 26.747 1.00 0.00 H new ATOM 0 HB3 MET A 121 -6.923 20.839 26.029 1.00 0.00 H new ATOM 0 HG2 MET A 121 -8.395 19.171 27.245 1.00 0.00 H new ATOM 0 HG3 MET A 121 -9.428 20.514 27.693 1.00 0.00 H new ATOM 0 HE1 MET A 121 -8.676 19.122 23.342 1.00 0.00 H new ATOM 0 HE2 MET A 121 -7.401 19.608 24.485 1.00 0.00 H new ATOM 0 HE3 MET A 121 -8.312 18.103 24.755 1.00 0.00 H new ATOM 1858 N ILE A 122 -4.505 20.260 27.438 1.00 0.00 N ATOM 1859 CA ILE A 122 -3.381 19.344 27.304 1.00 0.00 C ATOM 1860 C ILE A 122 -2.965 18.927 28.679 1.00 0.00 C ATOM 1861 O ILE A 122 -2.730 17.756 28.958 1.00 0.00 O ATOM 1862 CB ILE A 122 -2.208 20.062 26.621 1.00 0.00 C ATOM 1863 CG1 ILE A 122 -2.670 20.634 25.288 1.00 0.00 C ATOM 1864 CG2 ILE A 122 -1.027 19.128 26.433 1.00 0.00 C ATOM 1865 CD1 ILE A 122 -1.607 21.428 24.557 1.00 0.00 C ATOM 0 H ILE A 122 -4.342 21.177 27.022 1.00 0.00 H new ATOM 0 HA ILE A 122 -3.667 18.479 26.705 1.00 0.00 H new ATOM 0 HB ILE A 122 -1.874 20.879 27.261 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -3.002 19.816 24.649 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.534 21.275 25.459 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -0.212 19.665 25.947 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -0.693 18.764 27.405 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -1.326 18.284 25.812 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -2.014 21.802 23.617 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -1.291 22.268 25.175 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -0.750 20.786 24.352 1.00 0.00 H new ATOM 1877 N LYS A 123 -2.913 19.920 29.535 1.00 0.00 N ATOM 1878 CA LYS A 123 -2.561 19.721 30.917 1.00 0.00 C ATOM 1879 C LYS A 123 -3.798 19.354 31.727 1.00 0.00 C ATOM 1880 O LYS A 123 -3.701 18.913 32.873 1.00 0.00 O ATOM 1881 CB LYS A 123 -1.893 20.974 31.482 1.00 0.00 C ATOM 1882 CG LYS A 123 -0.476 21.169 30.972 1.00 0.00 C ATOM 1883 CD LYS A 123 -0.447 21.512 29.492 1.00 0.00 C ATOM 1884 CE LYS A 123 0.857 21.066 28.854 1.00 0.00 C ATOM 1885 NZ LYS A 123 0.921 21.421 27.410 1.00 0.00 N ATOM 0 H LYS A 123 -3.114 20.890 29.290 1.00 0.00 H new ATOM 0 HA LYS A 123 -1.850 18.898 30.984 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -2.491 21.847 31.221 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -1.877 20.912 32.570 1.00 0.00 H new ATOM 0 HG2 LYS A 123 0.007 21.965 31.538 1.00 0.00 H new ATOM 0 HG3 LYS A 123 0.100 20.260 31.145 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -1.285 21.032 28.988 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -0.570 22.587 29.362 1.00 0.00 H new ATOM 0 HE2 LYS A 123 1.694 21.528 29.378 1.00 0.00 H new ATOM 0 HE3 LYS A 123 0.966 19.987 28.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 1.357 20.640 26.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -0.040 21.590 27.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 1.492 22.282 27.289 1.00 0.00 H new ATOM 1899 N GLU A 124 -4.963 19.547 31.115 1.00 0.00 N ATOM 1900 CA GLU A 124 -6.232 19.247 31.761 1.00 0.00 C ATOM 1901 C GLU A 124 -6.553 17.762 31.661 1.00 0.00 C ATOM 1902 O GLU A 124 -7.301 17.220 32.476 1.00 0.00 O ATOM 1903 CB GLU A 124 -7.366 20.056 31.135 1.00 0.00 C ATOM 1904 CG GLU A 124 -8.740 19.731 31.707 1.00 0.00 C ATOM 1905 CD GLU A 124 -8.888 20.136 33.161 1.00 0.00 C ATOM 1906 OE1 GLU A 124 -7.930 20.704 33.725 1.00 0.00 O ATOM 1907 OE2 GLU A 124 -9.969 19.888 33.738 1.00 0.00 O ATOM 0 H GLU A 124 -5.052 19.912 30.167 1.00 0.00 H new ATOM 0 HA GLU A 124 -6.139 19.521 32.812 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -7.165 21.118 31.278 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -7.378 19.876 30.060 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -9.503 20.237 31.115 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -8.922 18.660 31.613 1.00 0.00 H new ATOM 1914 N ILE A 125 -5.984 17.110 30.653 1.00 0.00 N ATOM 1915 CA ILE A 125 -6.210 15.692 30.439 1.00 0.00 C ATOM 1916 C ILE A 125 -4.934 14.913 30.698 1.00 0.00 C ATOM 1917 O ILE A 125 -4.969 13.708 30.944 1.00 0.00 O ATOM 1918 CB ILE A 125 -6.701 15.417 29.016 1.00 0.00 C ATOM 1919 CG1 ILE A 125 -7.802 16.416 28.645 1.00 0.00 C ATOM 1920 CG2 ILE A 125 -7.214 13.989 28.932 1.00 0.00 C ATOM 1921 CD1 ILE A 125 -8.288 16.294 27.217 1.00 0.00 C ATOM 0 H ILE A 125 -5.362 17.545 29.972 1.00 0.00 H new ATOM 0 HA ILE A 125 -6.982 15.368 31.138 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.880 15.538 28.310 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -8.647 16.276 29.319 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.430 17.428 28.806 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -7.565 13.788 27.920 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.409 13.298 29.181 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -8.037 13.856 29.635 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -9.066 17.035 27.033 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -7.456 16.464 26.534 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -8.692 15.295 27.054 1.00 0.00 H new ATOM 1933 N ASP A 126 -3.807 15.620 30.663 1.00 0.00 N ATOM 1934 CA ASP A 126 -2.517 15.004 30.919 1.00 0.00 C ATOM 1935 C ASP A 126 -2.445 14.540 32.362 1.00 0.00 C ATOM 1936 O ASP A 126 -1.947 15.246 33.240 1.00 0.00 O ATOM 1937 CB ASP A 126 -1.397 15.986 30.633 1.00 0.00 C ATOM 1938 CG ASP A 126 -0.057 15.472 31.101 1.00 0.00 C ATOM 1939 OD1 ASP A 126 0.343 14.384 30.644 1.00 0.00 O ATOM 1940 OD2 ASP A 126 0.592 16.155 31.921 1.00 0.00 O ATOM 0 H ASP A 126 -3.766 16.619 30.460 1.00 0.00 H new ATOM 0 HA ASP A 126 -2.402 14.143 30.260 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -1.355 16.185 29.562 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -1.613 16.934 31.125 1.00 0.00 H new ATOM 1945 N GLN A 127 -2.977 13.360 32.594 1.00 0.00 N ATOM 1946 CA GLN A 127 -3.024 12.779 33.918 1.00 0.00 C ATOM 1947 C GLN A 127 -1.739 12.035 34.270 1.00 0.00 C ATOM 1948 O GLN A 127 -1.585 11.587 35.408 1.00 0.00 O ATOM 1949 CB GLN A 127 -4.213 11.828 33.996 1.00 0.00 C ATOM 1950 CG GLN A 127 -5.548 12.509 33.744 1.00 0.00 C ATOM 1951 CD GLN A 127 -6.627 11.546 33.286 1.00 0.00 C ATOM 1952 OE1 GLN A 127 -6.217 10.399 32.753 1.00 0.00 O flip ATOM 1953 NE2 GLN A 127 -7.818 11.846 33.374 1.00 0.00 N flip ATOM 0 H GLN A 127 -3.390 12.775 31.868 1.00 0.00 H new ATOM 0 HA GLN A 127 -3.132 13.588 34.640 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -4.078 11.029 33.267 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -4.232 11.361 34.981 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -5.875 13.005 34.658 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -5.417 13.285 32.990 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -8.090 12.737 33.790 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -8.532 11.204 33.031 1.00 0.00 H new ATOM 1962 N ASP A 128 -0.835 11.852 33.304 1.00 0.00 N ATOM 1963 CA ASP A 128 0.380 11.099 33.596 1.00 0.00 C ATOM 1964 C ASP A 128 1.698 11.811 33.249 1.00 0.00 C ATOM 1965 O ASP A 128 2.692 11.572 33.936 1.00 0.00 O ATOM 1966 CB ASP A 128 0.333 9.770 32.857 1.00 0.00 C ATOM 1967 CG ASP A 128 0.472 9.936 31.362 1.00 0.00 C ATOM 1968 OD1 ASP A 128 -0.207 10.817 30.802 1.00 0.00 O ATOM 1969 OD2 ASP A 128 1.255 9.181 30.750 1.00 0.00 O ATOM 0 H ASP A 128 -0.917 12.201 32.349 1.00 0.00 H new ATOM 0 HA ASP A 128 0.388 10.974 34.679 1.00 0.00 H new ATOM 0 HB2 ASP A 128 1.132 9.125 33.224 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -0.609 9.268 33.078 1.00 0.00 H new ATOM 1974 N ASN A 129 1.744 12.689 32.225 1.00 0.00 N ATOM 1975 CA ASN A 129 3.021 13.369 31.925 1.00 0.00 C ATOM 1976 C ASN A 129 3.023 14.372 30.745 1.00 0.00 C ATOM 1977 O ASN A 129 2.968 15.587 30.929 1.00 0.00 O ATOM 1978 CB ASN A 129 4.134 12.328 31.705 1.00 0.00 C ATOM 1979 CG ASN A 129 3.753 11.212 30.741 1.00 0.00 C ATOM 1980 OD1 ASN A 129 2.574 11.308 30.134 1.00 0.00 O flip ATOM 1981 ND2 ASN A 129 4.522 10.273 30.536 1.00 0.00 N flip ATOM 0 H ASN A 129 0.959 12.935 31.622 1.00 0.00 H new ATOM 0 HA ASN A 129 3.197 13.984 32.808 1.00 0.00 H new ATOM 0 HB2 ASN A 129 5.022 12.834 31.327 1.00 0.00 H new ATOM 0 HB3 ASN A 129 4.403 11.889 32.666 1.00 0.00 H new ATOM 0 HD21 ASN A 129 5.419 10.233 31.020 1.00 0.00 H new ATOM 0 HD22 ASN A 129 4.262 9.535 29.882 1.00 0.00 H new ATOM 1988 N ASP A 130 3.225 13.811 29.551 1.00 0.00 N ATOM 1989 CA ASP A 130 3.411 14.538 28.285 1.00 0.00 C ATOM 1990 C ASP A 130 2.245 15.368 27.730 1.00 0.00 C ATOM 1991 O ASP A 130 2.205 15.564 26.512 1.00 0.00 O ATOM 1992 CB ASP A 130 3.768 13.491 27.226 1.00 0.00 C ATOM 1993 CG ASP A 130 5.114 12.850 27.474 1.00 0.00 C ATOM 1994 OD1 ASP A 130 5.295 12.241 28.548 1.00 0.00 O ATOM 1995 OD2 ASP A 130 5.990 12.952 26.590 1.00 0.00 O ATOM 0 H ASP A 130 3.266 12.799 29.430 1.00 0.00 H new ATOM 0 HA ASP A 130 4.174 15.283 28.510 1.00 0.00 H new ATOM 0 HB2 ASP A 130 2.999 12.719 27.210 1.00 0.00 H new ATOM 0 HB3 ASP A 130 3.769 13.960 26.242 1.00 0.00 H new ATOM 2000 N GLY A 131 1.306 15.868 28.530 1.00 0.00 N ATOM 2001 CA GLY A 131 0.244 16.634 27.916 1.00 0.00 C ATOM 2002 C GLY A 131 -0.402 15.780 26.864 1.00 0.00 C ATOM 2003 O GLY A 131 -0.732 16.228 25.761 1.00 0.00 O ATOM 0 H GLY A 131 1.262 15.763 29.544 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -0.489 16.935 28.664 1.00 0.00 H new ATOM 0 HA3 GLY A 131 0.641 17.547 27.473 1.00 0.00 H new ATOM 2007 N GLN A 132 -0.500 14.511 27.200 1.00 0.00 N ATOM 2008 CA GLN A 132 -1.024 13.522 26.307 1.00 0.00 C ATOM 2009 C GLN A 132 -2.091 12.719 27.002 1.00 0.00 C ATOM 2010 O GLN A 132 -2.243 12.792 28.218 1.00 0.00 O ATOM 2011 CB GLN A 132 0.090 12.600 25.833 1.00 0.00 C ATOM 2012 CG GLN A 132 0.626 11.685 26.914 1.00 0.00 C ATOM 2013 CD GLN A 132 1.345 10.484 26.340 1.00 0.00 C ATOM 2014 OE1 GLN A 132 2.509 10.566 25.946 1.00 0.00 O ATOM 2015 NE2 GLN A 132 0.629 9.371 26.254 1.00 0.00 N ATOM 0 H GLN A 132 -0.214 14.143 28.108 1.00 0.00 H new ATOM 0 HA GLN A 132 -1.459 14.023 25.442 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.280 11.993 25.007 1.00 0.00 H new ATOM 0 HB3 GLN A 132 0.909 13.205 25.443 1.00 0.00 H new ATOM 0 HG2 GLN A 132 1.309 12.243 27.555 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -0.197 11.347 27.543 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -0.332 9.355 26.595 1.00 0.00 H new ATOM 0 HE22 GLN A 132 1.039 8.531 25.847 1.00 0.00 H new ATOM 2024 N ILE A 133 -2.829 11.964 26.220 1.00 0.00 N ATOM 2025 CA ILE A 133 -3.890 11.142 26.732 1.00 0.00 C ATOM 2026 C ILE A 133 -3.745 9.737 26.206 1.00 0.00 C ATOM 2027 O ILE A 133 -3.839 9.517 25.008 1.00 0.00 O ATOM 2028 CB ILE A 133 -5.231 11.694 26.274 1.00 0.00 C ATOM 2029 CG1 ILE A 133 -5.248 13.199 26.472 1.00 0.00 C ATOM 2030 CG2 ILE A 133 -6.370 11.034 27.030 1.00 0.00 C ATOM 2031 CD1 ILE A 133 -6.500 13.835 25.937 1.00 0.00 C ATOM 0 H ILE A 133 -2.706 11.906 25.209 1.00 0.00 H new ATOM 0 HA ILE A 133 -3.839 11.139 27.821 1.00 0.00 H new ATOM 0 HB ILE A 133 -5.368 11.473 25.215 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -5.156 13.424 27.535 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -4.381 13.637 25.977 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -7.320 11.444 26.687 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -6.352 9.959 26.850 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -6.257 11.225 28.097 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -6.461 14.911 26.104 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -6.581 13.636 24.868 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -7.367 13.419 26.450 1.00 0.00 H new ATOM 2043 N ASP A 134 -3.521 8.789 27.090 1.00 0.00 N ATOM 2044 CA ASP A 134 -3.357 7.409 26.662 1.00 0.00 C ATOM 2045 C ASP A 134 -4.646 6.656 26.887 1.00 0.00 C ATOM 2046 O ASP A 134 -5.538 7.139 27.578 1.00 0.00 O ATOM 2047 CB ASP A 134 -2.218 6.714 27.428 1.00 0.00 C ATOM 2048 CG ASP A 134 -2.658 6.097 28.742 1.00 0.00 C ATOM 2049 OD1 ASP A 134 -3.097 6.842 29.635 1.00 0.00 O ATOM 2050 OD2 ASP A 134 -2.553 4.859 28.878 1.00 0.00 O ATOM 0 H ASP A 134 -3.448 8.940 28.096 1.00 0.00 H new ATOM 0 HA ASP A 134 -3.102 7.411 25.602 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -1.789 5.936 26.797 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -1.427 7.439 27.623 1.00 0.00 H new ATOM 2055 N TYR A 135 -4.751 5.484 26.282 1.00 0.00 N ATOM 2056 CA TYR A 135 -5.951 4.673 26.417 1.00 0.00 C ATOM 2057 C TYR A 135 -6.382 4.616 27.869 1.00 0.00 C ATOM 2058 O TYR A 135 -7.552 4.407 28.177 1.00 0.00 O ATOM 2059 CB TYR A 135 -5.701 3.278 25.870 1.00 0.00 C ATOM 2060 CG TYR A 135 -6.825 2.295 26.118 1.00 0.00 C ATOM 2061 CD1 TYR A 135 -8.115 2.549 25.668 1.00 0.00 C ATOM 2062 CD2 TYR A 135 -6.591 1.109 26.800 1.00 0.00 C ATOM 2063 CE1 TYR A 135 -9.140 1.649 25.893 1.00 0.00 C ATOM 2064 CE2 TYR A 135 -7.608 0.202 27.027 1.00 0.00 C ATOM 2065 CZ TYR A 135 -8.881 0.477 26.572 1.00 0.00 C ATOM 2066 OH TYR A 135 -9.897 -0.421 26.797 1.00 0.00 O ATOM 0 H TYR A 135 -4.024 5.074 25.695 1.00 0.00 H new ATOM 0 HA TYR A 135 -6.756 5.128 25.840 1.00 0.00 H new ATOM 0 HB2 TYR A 135 -5.527 3.348 24.796 1.00 0.00 H new ATOM 0 HB3 TYR A 135 -4.787 2.885 26.316 1.00 0.00 H new ATOM 0 HD1 TYR A 135 -8.320 3.465 25.134 1.00 0.00 H new ATOM 0 HD2 TYR A 135 -5.596 0.891 27.160 1.00 0.00 H new ATOM 0 HE1 TYR A 135 -10.138 1.863 25.539 1.00 0.00 H new ATOM 0 HE2 TYR A 135 -7.408 -0.717 27.558 1.00 0.00 H new ATOM 0 HH TYR A 135 -9.548 -1.194 27.287 1.00 0.00 H new ATOM 2076 N GLY A 136 -5.426 4.844 28.757 1.00 0.00 N ATOM 2077 CA GLY A 136 -5.724 4.859 30.163 1.00 0.00 C ATOM 2078 C GLY A 136 -6.277 6.202 30.587 1.00 0.00 C ATOM 2079 O GLY A 136 -7.207 6.273 31.388 1.00 0.00 O ATOM 0 H GLY A 136 -4.449 5.019 28.522 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -6.446 4.076 30.393 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -4.821 4.638 30.732 1.00 0.00 H new ATOM 2083 N GLU A 137 -5.703 7.273 30.036 1.00 0.00 N ATOM 2084 CA GLU A 137 -6.149 8.624 30.349 1.00 0.00 C ATOM 2085 C GLU A 137 -7.516 8.896 29.759 1.00 0.00 C ATOM 2086 O GLU A 137 -8.436 9.266 30.480 1.00 0.00 O ATOM 2087 CB GLU A 137 -5.181 9.685 29.818 1.00 0.00 C ATOM 2088 CG GLU A 137 -3.760 9.531 30.304 1.00 0.00 C ATOM 2089 CD GLU A 137 -2.877 10.687 29.893 1.00 0.00 C ATOM 2090 OE1 GLU A 137 -3.140 11.821 30.341 1.00 0.00 O ATOM 2091 OE2 GLU A 137 -1.924 10.460 29.117 1.00 0.00 O ATOM 0 H GLU A 137 -4.930 7.227 29.372 1.00 0.00 H new ATOM 0 HA GLU A 137 -6.189 8.687 31.436 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -5.185 9.651 28.729 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -5.546 10.670 30.107 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -3.759 9.446 31.391 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -3.344 8.603 29.911 1.00 0.00 H new ATOM 2098 N PHE A 138 -7.645 8.750 28.440 1.00 0.00 N ATOM 2099 CA PHE A 138 -8.917 9.034 27.798 1.00 0.00 C ATOM 2100 C PHE A 138 -10.035 8.185 28.377 1.00 0.00 C ATOM 2101 O PHE A 138 -11.088 8.703 28.742 1.00 0.00 O ATOM 2102 CB PHE A 138 -8.882 8.843 26.277 1.00 0.00 C ATOM 2103 CG PHE A 138 -9.754 9.855 25.603 1.00 0.00 C ATOM 2104 CD1 PHE A 138 -9.594 11.213 25.864 1.00 0.00 C ATOM 2105 CD2 PHE A 138 -10.752 9.455 24.738 1.00 0.00 C ATOM 2106 CE1 PHE A 138 -10.415 12.146 25.261 1.00 0.00 C ATOM 2107 CE2 PHE A 138 -11.576 10.383 24.137 1.00 0.00 C ATOM 2108 CZ PHE A 138 -11.408 11.730 24.396 1.00 0.00 C ATOM 0 H PHE A 138 -6.901 8.444 27.813 1.00 0.00 H new ATOM 0 HA PHE A 138 -9.111 10.087 28.000 1.00 0.00 H new ATOM 0 HB2 PHE A 138 -7.858 8.938 25.916 1.00 0.00 H new ATOM 0 HB3 PHE A 138 -9.218 7.838 26.023 1.00 0.00 H new ATOM 0 HD1 PHE A 138 -8.821 11.540 26.544 1.00 0.00 H new ATOM 0 HD2 PHE A 138 -10.889 8.404 24.530 1.00 0.00 H new ATOM 0 HE1 PHE A 138 -10.281 13.198 25.465 1.00 0.00 H new ATOM 0 HE2 PHE A 138 -12.354 10.057 23.463 1.00 0.00 H new ATOM 0 HZ PHE A 138 -12.052 12.456 23.923 1.00 0.00 H new ATOM 2118 N ALA A 139 -9.810 6.882 28.441 1.00 0.00 N ATOM 2119 CA ALA A 139 -10.818 5.966 28.956 1.00 0.00 C ATOM 2120 C ALA A 139 -11.184 6.287 30.407 1.00 0.00 C ATOM 2121 O ALA A 139 -12.238 5.879 30.895 1.00 0.00 O ATOM 2122 CB ALA A 139 -10.334 4.527 28.820 1.00 0.00 C ATOM 0 H ALA A 139 -8.942 6.435 28.144 1.00 0.00 H new ATOM 0 HA ALA A 139 -11.724 6.090 28.362 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -11.094 3.849 29.208 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -10.150 4.303 27.769 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -9.411 4.399 29.386 1.00 0.00 H new ATOM 2128 N ALA A 140 -10.309 7.020 31.091 1.00 0.00 N ATOM 2129 CA ALA A 140 -10.541 7.400 32.484 1.00 0.00 C ATOM 2130 C ALA A 140 -11.270 8.741 32.595 1.00 0.00 C ATOM 2131 O ALA A 140 -12.275 8.859 33.295 1.00 0.00 O ATOM 2132 CB ALA A 140 -9.223 7.459 33.239 1.00 0.00 C ATOM 0 H ALA A 140 -9.431 7.364 30.703 1.00 0.00 H new ATOM 0 HA ALA A 140 -11.180 6.638 32.930 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -9.409 7.743 34.275 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -8.744 6.480 33.212 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -8.569 8.196 32.773 1.00 0.00 H new ATOM 2138 N MET A 141 -10.734 9.750 31.912 1.00 0.00 N ATOM 2139 CA MET A 141 -11.285 11.098 31.924 1.00 0.00 C ATOM 2140 C MET A 141 -12.673 11.164 31.285 1.00 0.00 C ATOM 2141 O MET A 141 -13.217 12.250 31.082 1.00 0.00 O ATOM 2142 CB MET A 141 -10.315 12.036 31.199 1.00 0.00 C ATOM 2143 CG MET A 141 -10.060 11.657 29.746 1.00 0.00 C ATOM 2144 SD MET A 141 -11.355 12.219 28.624 1.00 0.00 S ATOM 2145 CE MET A 141 -10.972 13.967 28.519 1.00 0.00 C ATOM 0 H MET A 141 -9.901 9.652 31.332 1.00 0.00 H new ATOM 0 HA MET A 141 -11.405 11.410 32.962 1.00 0.00 H new ATOM 0 HB2 MET A 141 -10.711 13.051 31.235 1.00 0.00 H new ATOM 0 HB3 MET A 141 -9.365 12.045 31.734 1.00 0.00 H new ATOM 0 HG2 MET A 141 -9.106 12.080 29.430 1.00 0.00 H new ATOM 0 HG3 MET A 141 -9.969 10.573 29.671 1.00 0.00 H new ATOM 0 HE1 MET A 141 -11.875 14.549 28.701 1.00 0.00 H new ATOM 0 HE2 MET A 141 -10.220 14.220 29.266 1.00 0.00 H new ATOM 0 HE3 MET A 141 -10.587 14.196 27.525 1.00 0.00 H new ATOM 2155 N MET A 142 -13.242 10.005 30.972 1.00 0.00 N ATOM 2156 CA MET A 142 -14.565 9.943 30.361 1.00 0.00 C ATOM 2157 C MET A 142 -15.565 9.260 31.290 1.00 0.00 C ATOM 2158 O MET A 142 -16.722 9.048 30.926 1.00 0.00 O ATOM 2159 CB MET A 142 -14.491 9.204 29.022 1.00 0.00 C ATOM 2160 CG MET A 142 -13.831 7.837 29.114 1.00 0.00 C ATOM 2161 SD MET A 142 -14.855 6.608 29.944 1.00 0.00 S ATOM 2162 CE MET A 142 -16.157 6.400 28.737 1.00 0.00 C ATOM 0 H MET A 142 -12.808 9.096 31.131 1.00 0.00 H new ATOM 0 HA MET A 142 -14.910 10.962 30.185 1.00 0.00 H new ATOM 0 HB2 MET A 142 -15.500 9.085 28.627 1.00 0.00 H new ATOM 0 HB3 MET A 142 -13.940 9.817 28.309 1.00 0.00 H new ATOM 0 HG2 MET A 142 -13.596 7.486 28.109 1.00 0.00 H new ATOM 0 HG3 MET A 142 -12.885 7.933 29.647 1.00 0.00 H new ATOM 0 HE1 MET A 142 -16.654 5.444 28.899 1.00 0.00 H new ATOM 0 HE2 MET A 142 -16.881 7.208 28.840 1.00 0.00 H new ATOM 0 HE3 MET A 142 -15.730 6.421 27.734 1.00 0.00 H new