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 44 MET CE :methyl 163:sc= -0.312 (180deg=0) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= -0.097 USER MOD Set 2.1: A 23 ASN :FLIP amide:sc= 0.501 F(o=-4!,f=1.1) USER MOD Set 2.2: A 24 SER OG : rot -50:sc= 0.234 USER MOD Set 2.3: A 26 THR OG1 : rot 4:sc= 0.404 USER MOD Single : A 13 LYS NZ :NH3+ 153:sc= 1.21 (180deg=-0.177!) USER MOD Single : A 17 LYS NZ :NH3+ 165:sc= -0.0438 (180deg=-0.294) USER MOD Single : A 18 MET CE :methyl -150:sc= -0.0988 (180deg=-0.57) USER MOD Single : A 21 THR OG1 : rot -34:sc= 0.34 USER MOD Single : A 28 THR OG1 : rot 180:sc=-0.00191 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -167:sc= -1.46 (180deg=-1.76) USER MOD Single : A 41 SER OG : rot -150:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= -0.0779 (180deg=-0.482) USER MOD Single : A 52 MET CE :methyl -153:sc= -2.91 (180deg=-4.88!) USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= -0.0355 (180deg=-0.293) USER MOD Single : A 60 SER OG : rot -77:sc= 0.0245 USER MOD Single : A 62 THR OG1 : rot 180:sc= -3.64! USER MOD Single : A 65 TYR OH : rot 180:sc= -0.269 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 160:sc= 0 USER MOD Single : A 90 TYR OH : rot 130:sc= 0.174 USER MOD Single : A 93 LYS NZ :NH3+ 165:sc= -0.0497 (180deg=-0.342) USER MOD Single : A 96 SER OG : rot 180:sc= 0 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 :FLIP amide:sc= -4.81! C(o=-6.4!,f=-4.8!) USER MOD Single : A 106 GLN : amide:sc= -0.674 K(o=-0.67,f=-2.3!) USER MOD Single : A 108 CYS SG : rot -102:sc= 0.664 USER MOD Single : A 109 LYS NZ :NH3+ 168:sc= -0.0348 (180deg=-0.208) USER MOD Single : A 117 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.0022) USER MOD Single : A 121 MET CE :methyl 163:sc= -6.08! (180deg=-7.11!) USER MOD Single : A 123 LYS NZ :NH3+ 156:sc= -2 (180deg=-3.33!) USER MOD Single : A 127 GLN :FLIP amide:sc= -11! C(o=-15!,f=-11!) USER MOD Single : A 129 ASN : amide:sc= -4.17! C(o=-4.2!,f=-9.9!) USER MOD Single : A 132 GLN : amide:sc= 1.14 K(o=1.1,f=-1.2!) USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 MET CE :methyl -155:sc= -1.21 (180deg=-1.84) USER MOD Single : A 142 MET CE :methyl 162:sc= -0.0791 (180deg=-0.51) USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 12 2.729 -12.665 5.205 1.00 0.00 N ATOM 161 CA LEU A 12 2.084 -11.362 5.315 1.00 0.00 C ATOM 162 C LEU A 12 3.023 -10.262 4.843 1.00 0.00 C ATOM 163 O LEU A 12 2.576 -9.239 4.326 1.00 0.00 O ATOM 164 CB LEU A 12 1.657 -11.108 6.763 1.00 0.00 C ATOM 165 CG LEU A 12 0.868 -9.820 7.002 1.00 0.00 C ATOM 166 CD1 LEU A 12 -0.467 -9.871 6.279 1.00 0.00 C ATOM 167 CD2 LEU A 12 0.658 -9.594 8.492 1.00 0.00 C ATOM 0 HA LEU A 12 1.198 -11.357 4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.052 -11.951 7.098 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.550 -11.088 7.388 1.00 0.00 H new ATOM 0 HG LEU A 12 1.443 -8.984 6.603 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.015 -8.946 6.460 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.297 -9.988 5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.049 -10.716 6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.095 -8.673 8.645 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.103 -10.433 8.913 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.625 -9.514 8.988 1.00 0.00 H new ATOM 179 N LYS A 13 4.329 -10.483 4.994 1.00 0.00 N ATOM 180 CA LYS A 13 5.307 -9.503 4.544 1.00 0.00 C ATOM 181 C LYS A 13 5.112 -9.274 3.055 1.00 0.00 C ATOM 182 O LYS A 13 5.404 -8.199 2.530 1.00 0.00 O ATOM 183 CB LYS A 13 6.734 -9.957 4.864 1.00 0.00 C ATOM 184 CG LYS A 13 7.055 -11.370 4.411 1.00 0.00 C ATOM 185 CD LYS A 13 8.439 -11.791 4.878 1.00 0.00 C ATOM 186 CE LYS A 13 8.791 -13.194 4.412 1.00 0.00 C ATOM 187 NZ LYS A 13 8.862 -13.285 2.928 1.00 0.00 N ATOM 0 H LYS A 13 4.726 -11.321 5.419 1.00 0.00 H new ATOM 0 HA LYS A 13 5.156 -8.563 5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.436 -9.269 4.394 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.892 -9.888 5.940 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.309 -12.060 4.805 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.001 -11.428 3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.180 -11.086 4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.484 -11.748 5.966 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.749 -13.489 4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.046 -13.897 4.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.512 -14.050 2.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.915 -13.485 2.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.208 -12.384 2.541 1.00 0.00 H new ATOM 201 N GLU A 14 4.548 -10.284 2.399 1.00 0.00 N ATOM 202 CA GLU A 14 4.224 -10.201 0.985 1.00 0.00 C ATOM 203 C GLU A 14 2.921 -9.445 0.839 1.00 0.00 C ATOM 204 O GLU A 14 2.842 -8.473 0.098 1.00 0.00 O ATOM 205 CB GLU A 14 4.090 -11.595 0.365 1.00 0.00 C ATOM 206 CG GLU A 14 5.403 -12.190 -0.121 1.00 0.00 C ATOM 207 CD GLU A 14 6.447 -12.299 0.970 1.00 0.00 C ATOM 208 OE1 GLU A 14 6.950 -11.249 1.419 1.00 0.00 O ATOM 209 OE2 GLU A 14 6.761 -13.438 1.376 1.00 0.00 O ATOM 0 H GLU A 14 4.306 -11.175 2.832 1.00 0.00 H new ATOM 0 HA GLU A 14 5.028 -9.683 0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.650 -12.267 1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.395 -11.542 -0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.215 -13.180 -0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.796 -11.575 -0.931 1.00 0.00 H new ATOM 216 N LEU A 15 1.905 -9.895 1.575 1.00 0.00 N ATOM 217 CA LEU A 15 0.596 -9.259 1.546 1.00 0.00 C ATOM 218 C LEU A 15 0.725 -7.746 1.678 1.00 0.00 C ATOM 219 O LEU A 15 -0.087 -7.000 1.135 1.00 0.00 O ATOM 220 CB LEU A 15 -0.308 -9.813 2.648 1.00 0.00 C ATOM 221 CG LEU A 15 -1.745 -9.284 2.628 1.00 0.00 C ATOM 222 CD1 LEU A 15 -2.375 -9.499 1.262 1.00 0.00 C ATOM 223 CD2 LEU A 15 -2.579 -9.960 3.706 1.00 0.00 C ATOM 0 H LEU A 15 1.968 -10.700 2.199 1.00 0.00 H new ATOM 0 HA LEU A 15 0.139 -9.484 0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.335 -10.899 2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.137 -9.579 3.615 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.717 -8.214 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.396 -9.117 1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.794 -8.971 0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.388 -10.564 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.597 -9.571 3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.596 -11.036 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.142 -9.758 4.684 1.00 0.00 H new ATOM 235 N PHE A 16 1.760 -7.294 2.380 1.00 0.00 N ATOM 236 CA PHE A 16 1.988 -5.866 2.544 1.00 0.00 C ATOM 237 C PHE A 16 2.342 -5.229 1.212 1.00 0.00 C ATOM 238 O PHE A 16 1.737 -4.241 0.798 1.00 0.00 O ATOM 239 CB PHE A 16 3.120 -5.586 3.530 1.00 0.00 C ATOM 240 CG PHE A 16 3.608 -4.166 3.427 1.00 0.00 C ATOM 241 CD1 PHE A 16 2.749 -3.111 3.679 1.00 0.00 C ATOM 242 CD2 PHE A 16 4.910 -3.889 3.050 1.00 0.00 C ATOM 243 CE1 PHE A 16 3.178 -1.807 3.564 1.00 0.00 C ATOM 244 CE2 PHE A 16 5.345 -2.583 2.925 1.00 0.00 C ATOM 245 CZ PHE A 16 4.476 -1.540 3.185 1.00 0.00 C ATOM 0 H PHE A 16 2.447 -7.891 2.840 1.00 0.00 H new ATOM 0 HA PHE A 16 1.064 -5.439 2.933 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.775 -5.780 4.546 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.947 -6.270 3.339 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.729 -3.313 3.970 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.593 -4.701 2.851 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.498 -0.994 3.771 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.362 -2.378 2.625 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.813 -0.518 3.091 1.00 0.00 H new ATOM 255 N LYS A 17 3.329 -5.810 0.548 1.00 0.00 N ATOM 256 CA LYS A 17 3.774 -5.313 -0.740 1.00 0.00 C ATOM 257 C LYS A 17 2.769 -5.725 -1.788 1.00 0.00 C ATOM 258 O LYS A 17 2.755 -5.211 -2.907 1.00 0.00 O ATOM 259 CB LYS A 17 5.182 -5.824 -1.066 1.00 0.00 C ATOM 260 CG LYS A 17 5.330 -7.338 -1.036 1.00 0.00 C ATOM 261 CD LYS A 17 4.766 -7.999 -2.286 1.00 0.00 C ATOM 262 CE LYS A 17 5.535 -7.591 -3.532 1.00 0.00 C ATOM 263 NZ LYS A 17 6.978 -7.947 -3.436 1.00 0.00 N ATOM 0 H LYS A 17 3.837 -6.629 0.883 1.00 0.00 H new ATOM 0 HA LYS A 17 3.836 -4.225 -0.718 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.465 -5.464 -2.055 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.885 -5.389 -0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.384 -7.596 -0.936 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.820 -7.733 -0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.804 -9.083 -2.173 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.717 -7.727 -2.400 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.098 -8.078 -4.404 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.436 -6.516 -3.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.413 -7.891 -4.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.457 -7.284 -2.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.073 -8.915 -3.068 1.00 0.00 H new ATOM 277 N MET A 18 1.898 -6.639 -1.384 1.00 0.00 N ATOM 278 CA MET A 18 0.849 -7.117 -2.225 1.00 0.00 C ATOM 279 C MET A 18 -0.178 -6.011 -2.390 1.00 0.00 C ATOM 280 O MET A 18 -0.924 -5.974 -3.370 1.00 0.00 O ATOM 281 CB MET A 18 0.236 -8.366 -1.601 1.00 0.00 C ATOM 282 CG MET A 18 1.054 -9.629 -1.828 1.00 0.00 C ATOM 283 SD MET A 18 1.497 -9.868 -3.555 1.00 0.00 S ATOM 284 CE MET A 18 -0.120 -9.801 -4.307 1.00 0.00 C ATOM 0 H MET A 18 1.913 -7.062 -0.456 1.00 0.00 H new ATOM 0 HA MET A 18 1.229 -7.387 -3.210 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.121 -8.206 -0.529 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.763 -8.513 -2.011 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.962 -9.582 -1.227 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.486 -10.492 -1.480 1.00 0.00 H new ATOM 0 HE1 MET A 18 -0.131 -10.422 -5.203 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.865 -10.169 -3.602 1.00 0.00 H new ATOM 0 HE3 MET A 18 -0.354 -8.771 -4.576 1.00 0.00 H new ATOM 294 N ILE A 19 -0.182 -5.085 -1.428 1.00 0.00 N ATOM 295 CA ILE A 19 -1.077 -3.946 -1.458 1.00 0.00 C ATOM 296 C ILE A 19 -0.546 -2.916 -2.444 1.00 0.00 C ATOM 297 O ILE A 19 -1.194 -2.588 -3.438 1.00 0.00 O ATOM 298 CB ILE A 19 -1.174 -3.271 -0.074 1.00 0.00 C ATOM 299 CG1 ILE A 19 -1.429 -4.284 1.049 1.00 0.00 C ATOM 300 CG2 ILE A 19 -2.260 -2.210 -0.082 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.491 -5.315 0.731 1.00 0.00 C ATOM 0 H ILE A 19 0.434 -5.111 -0.615 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.063 -4.304 -1.752 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.211 -2.801 0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.496 -4.799 1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.722 -3.744 1.949 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.318 -1.741 0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.025 -1.454 -0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.218 -2.672 -0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.607 -5.991 1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.438 -4.813 0.535 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.193 -5.885 -0.149 1.00 0.00 H new ATOM 313 N ASP A 20 0.655 -2.425 -2.149 1.00 0.00 N ATOM 314 CA ASP A 20 1.324 -1.441 -2.987 1.00 0.00 C ATOM 315 C ASP A 20 1.984 -2.116 -4.179 1.00 0.00 C ATOM 316 O ASP A 20 3.209 -2.156 -4.296 1.00 0.00 O ATOM 317 CB ASP A 20 2.364 -0.682 -2.166 1.00 0.00 C ATOM 318 CG ASP A 20 3.177 -1.600 -1.277 1.00 0.00 C ATOM 319 OD1 ASP A 20 3.872 -2.486 -1.813 1.00 0.00 O ATOM 320 OD2 ASP A 20 3.118 -1.431 -0.041 1.00 0.00 O ATOM 0 H ASP A 20 1.188 -2.699 -1.324 1.00 0.00 H new ATOM 0 HA ASP A 20 0.582 -0.735 -3.360 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.033 -0.145 -2.838 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.863 0.066 -1.551 1.00 0.00 H new ATOM 325 N THR A 21 1.155 -2.656 -5.055 1.00 0.00 N ATOM 326 CA THR A 21 1.630 -3.350 -6.239 1.00 0.00 C ATOM 327 C THR A 21 1.953 -2.374 -7.361 1.00 0.00 C ATOM 328 O THR A 21 2.456 -2.772 -8.412 1.00 0.00 O ATOM 329 CB THR A 21 0.570 -4.344 -6.707 1.00 0.00 C ATOM 330 OG1 THR A 21 1.078 -5.178 -7.734 1.00 0.00 O ATOM 331 CG2 THR A 21 -0.682 -3.678 -7.236 1.00 0.00 C ATOM 0 H THR A 21 0.139 -2.626 -4.967 1.00 0.00 H new ATOM 0 HA THR A 21 2.546 -3.880 -5.980 1.00 0.00 H new ATOM 0 HB THR A 21 0.310 -4.924 -5.821 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.708 -4.670 -8.286 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.394 -4.440 -7.552 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.128 -3.067 -6.451 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.426 -3.046 -8.087 1.00 0.00 H new ATOM 339 N ASP A 22 1.640 -1.097 -7.153 1.00 0.00 N ATOM 340 CA ASP A 22 1.882 -0.095 -8.180 1.00 0.00 C ATOM 341 C ASP A 22 2.590 1.152 -7.654 1.00 0.00 C ATOM 342 O ASP A 22 3.258 1.847 -8.420 1.00 0.00 O ATOM 343 CB ASP A 22 0.557 0.310 -8.826 1.00 0.00 C ATOM 344 CG ASP A 22 -0.445 0.841 -7.815 1.00 0.00 C ATOM 345 OD1 ASP A 22 -0.119 0.869 -6.610 1.00 0.00 O ATOM 346 OD2 ASP A 22 -1.557 1.226 -8.231 1.00 0.00 O ATOM 0 H ASP A 22 1.224 -0.738 -6.294 1.00 0.00 H new ATOM 0 HA ASP A 22 2.547 -0.553 -8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.743 1.072 -9.583 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.129 -0.551 -9.339 1.00 0.00 H new ATOM 351 N ASN A 23 2.423 1.474 -6.372 1.00 0.00 N ATOM 352 CA ASN A 23 3.035 2.675 -5.825 1.00 0.00 C ATOM 353 C ASN A 23 4.555 2.567 -5.724 1.00 0.00 C ATOM 354 O ASN A 23 5.269 3.057 -6.598 1.00 0.00 O ATOM 355 CB ASN A 23 2.424 3.026 -4.470 1.00 0.00 C ATOM 356 CG ASN A 23 3.002 4.304 -3.898 1.00 0.00 C ATOM 357 OD1 ASN A 23 3.635 4.200 -2.741 1.00 0.00 O flip ATOM 358 ND2 ASN A 23 2.882 5.374 -4.496 1.00 0.00 N flip ATOM 0 H ASN A 23 1.878 0.928 -5.705 1.00 0.00 H new ATOM 0 HA ASN A 23 2.823 3.483 -6.525 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.344 3.133 -4.576 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.596 2.207 -3.772 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.385 5.408 -5.386 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.279 6.226 -4.101 1.00 0.00 H new ATOM 365 N SER A 24 5.051 1.938 -4.657 1.00 0.00 N ATOM 366 CA SER A 24 6.500 1.803 -4.473 1.00 0.00 C ATOM 367 C SER A 24 6.858 0.966 -3.244 1.00 0.00 C ATOM 368 O SER A 24 8.028 0.868 -2.875 1.00 0.00 O ATOM 369 CB SER A 24 7.132 3.187 -4.339 1.00 0.00 C ATOM 370 OG SER A 24 6.525 3.917 -3.286 1.00 0.00 O ATOM 0 H SER A 24 4.484 1.520 -3.919 1.00 0.00 H new ATOM 0 HA SER A 24 6.889 1.286 -5.350 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.201 3.087 -4.150 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.024 3.733 -5.276 1.00 0.00 H new ATOM 0 HG SER A 24 5.551 3.889 -3.388 1.00 0.00 H new ATOM 376 N GLY A 25 5.853 0.398 -2.596 1.00 0.00 N ATOM 377 CA GLY A 25 6.091 -0.381 -1.396 1.00 0.00 C ATOM 378 C GLY A 25 5.542 0.316 -0.167 1.00 0.00 C ATOM 379 O GLY A 25 6.005 0.103 0.952 1.00 0.00 O ATOM 0 H GLY A 25 4.875 0.462 -2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.626 -1.361 -1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.161 -0.547 -1.274 1.00 0.00 H new ATOM 383 N THR A 26 4.519 1.126 -0.405 1.00 0.00 N ATOM 384 CA THR A 26 3.831 1.857 0.650 1.00 0.00 C ATOM 385 C THR A 26 2.349 1.921 0.323 1.00 0.00 C ATOM 386 O THR A 26 1.962 1.891 -0.844 1.00 0.00 O ATOM 387 CB THR A 26 4.396 3.263 0.825 1.00 0.00 C ATOM 388 OG1 THR A 26 4.329 3.993 -0.382 1.00 0.00 O ATOM 389 CG2 THR A 26 5.833 3.277 1.295 1.00 0.00 C ATOM 0 H THR A 26 4.142 1.295 -1.338 1.00 0.00 H new ATOM 0 HA THR A 26 3.983 1.330 1.592 1.00 0.00 H new ATOM 0 HB THR A 26 3.775 3.724 1.593 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.873 3.457 -1.064 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.172 4.308 1.399 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.906 2.773 2.259 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.459 2.761 0.567 1.00 0.00 H new ATOM 397 N ILE A 27 1.523 1.952 1.350 1.00 0.00 N ATOM 398 CA ILE A 27 0.087 1.945 1.151 1.00 0.00 C ATOM 399 C ILE A 27 -0.551 3.303 1.347 1.00 0.00 C ATOM 400 O ILE A 27 -0.790 3.738 2.462 1.00 0.00 O ATOM 401 CB ILE A 27 -0.551 0.971 2.134 1.00 0.00 C ATOM 402 CG1 ILE A 27 0.137 -0.387 2.021 1.00 0.00 C ATOM 403 CG2 ILE A 27 -2.043 0.855 1.882 1.00 0.00 C ATOM 404 CD1 ILE A 27 -0.572 -1.484 2.771 1.00 0.00 C ATOM 0 H ILE A 27 1.819 1.982 2.326 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.083 1.647 0.117 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.421 1.346 3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.207 -0.664 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.157 -0.301 2.397 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.479 0.155 2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.509 1.833 2.002 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.214 0.494 0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.028 -2.420 2.647 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.619 -1.229 3.830 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.583 -1.597 2.380 1.00 0.00 H new ATOM 416 N THR A 28 -0.878 3.947 0.252 1.00 0.00 N ATOM 417 CA THR A 28 -1.525 5.237 0.320 1.00 0.00 C ATOM 418 C THR A 28 -3.001 5.098 0.001 1.00 0.00 C ATOM 419 O THR A 28 -3.427 4.080 -0.524 1.00 0.00 O ATOM 420 CB THR A 28 -0.846 6.218 -0.630 1.00 0.00 C ATOM 421 OG1 THR A 28 -0.902 5.749 -1.966 1.00 0.00 O ATOM 422 CG2 THR A 28 0.608 6.452 -0.280 1.00 0.00 C ATOM 0 H THR A 28 -0.708 3.602 -0.693 1.00 0.00 H new ATOM 0 HA THR A 28 -1.433 5.630 1.333 1.00 0.00 H new ATOM 0 HB THR A 28 -1.391 7.157 -0.528 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.462 6.394 -2.558 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.043 7.158 -0.987 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.678 6.859 0.729 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.151 5.508 -0.329 1.00 0.00 H new ATOM 430 N PHE A 29 -3.768 6.109 0.376 1.00 0.00 N ATOM 431 CA PHE A 29 -5.220 6.125 0.192 1.00 0.00 C ATOM 432 C PHE A 29 -5.674 5.406 -1.086 1.00 0.00 C ATOM 433 O PHE A 29 -6.786 4.881 -1.139 1.00 0.00 O ATOM 434 CB PHE A 29 -5.696 7.574 0.151 1.00 0.00 C ATOM 435 CG PHE A 29 -7.180 7.727 0.274 1.00 0.00 C ATOM 436 CD1 PHE A 29 -7.790 7.649 1.512 1.00 0.00 C ATOM 437 CD2 PHE A 29 -7.963 7.941 -0.846 1.00 0.00 C ATOM 438 CE1 PHE A 29 -9.156 7.784 1.635 1.00 0.00 C ATOM 439 CE2 PHE A 29 -9.331 8.077 -0.731 1.00 0.00 C ATOM 440 CZ PHE A 29 -9.930 7.998 0.512 1.00 0.00 C ATOM 0 H PHE A 29 -3.403 6.951 0.821 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.660 5.587 1.032 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.215 8.127 0.958 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.370 8.027 -0.785 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.189 7.480 2.393 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.499 8.002 -1.819 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.620 7.722 2.608 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.933 8.245 -1.612 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.001 8.103 0.605 1.00 0.00 H new ATOM 450 N ASP A 30 -4.821 5.371 -2.105 1.00 0.00 N ATOM 451 CA ASP A 30 -5.162 4.701 -3.357 1.00 0.00 C ATOM 452 C ASP A 30 -4.912 3.194 -3.263 1.00 0.00 C ATOM 453 O ASP A 30 -5.757 2.386 -3.665 1.00 0.00 O ATOM 454 CB ASP A 30 -4.351 5.293 -4.511 1.00 0.00 C ATOM 455 CG ASP A 30 -4.612 6.773 -4.703 1.00 0.00 C ATOM 456 OD1 ASP A 30 -5.777 7.143 -4.964 1.00 0.00 O ATOM 457 OD2 ASP A 30 -3.651 7.564 -4.593 1.00 0.00 O ATOM 0 H ASP A 30 -3.894 5.796 -2.090 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.224 4.860 -3.545 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.289 5.136 -4.323 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.594 4.762 -5.431 1.00 0.00 H new ATOM 462 N GLU A 31 -3.763 2.816 -2.709 1.00 0.00 N ATOM 463 CA GLU A 31 -3.427 1.409 -2.550 1.00 0.00 C ATOM 464 C GLU A 31 -4.062 0.839 -1.294 1.00 0.00 C ATOM 465 O GLU A 31 -4.154 -0.375 -1.135 1.00 0.00 O ATOM 466 CB GLU A 31 -1.914 1.221 -2.519 1.00 0.00 C ATOM 467 CG GLU A 31 -1.270 1.336 -3.891 1.00 0.00 C ATOM 468 CD GLU A 31 -1.230 2.764 -4.397 1.00 0.00 C ATOM 469 OE1 GLU A 31 -0.594 3.610 -3.734 1.00 0.00 O ATOM 470 OE2 GLU A 31 -1.834 3.037 -5.455 1.00 0.00 O ATOM 0 H GLU A 31 -3.054 3.463 -2.365 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.825 0.866 -3.407 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.475 1.965 -1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.684 0.243 -2.097 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.255 0.942 -3.846 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.821 0.718 -4.600 1.00 0.00 H new ATOM 477 N LEU A 32 -4.524 1.723 -0.414 1.00 0.00 N ATOM 478 CA LEU A 32 -5.171 1.298 0.810 1.00 0.00 C ATOM 479 C LEU A 32 -6.287 0.332 0.460 1.00 0.00 C ATOM 480 O LEU A 32 -6.388 -0.765 1.012 1.00 0.00 O ATOM 481 CB LEU A 32 -5.738 2.504 1.552 1.00 0.00 C ATOM 482 CG LEU A 32 -6.097 2.264 3.027 1.00 0.00 C ATOM 483 CD1 LEU A 32 -7.311 1.355 3.155 1.00 0.00 C ATOM 484 CD2 LEU A 32 -4.913 1.670 3.774 1.00 0.00 C ATOM 0 H LEU A 32 -4.460 2.734 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.445 0.806 1.458 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.012 3.315 1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.632 2.843 1.029 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.345 3.227 3.472 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.542 1.203 4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.165 1.817 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.097 0.394 2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.185 1.507 4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.635 0.720 3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.069 2.357 3.723 1.00 0.00 H new ATOM 496 N LYS A 33 -7.110 0.763 -0.482 1.00 0.00 N ATOM 497 CA LYS A 33 -8.229 -0.031 -0.962 1.00 0.00 C ATOM 498 C LYS A 33 -7.777 -1.036 -2.012 1.00 0.00 C ATOM 499 O LYS A 33 -8.161 -2.199 -1.962 1.00 0.00 O ATOM 500 CB LYS A 33 -9.304 0.878 -1.552 1.00 0.00 C ATOM 501 CG LYS A 33 -8.749 1.982 -2.441 1.00 0.00 C ATOM 502 CD LYS A 33 -9.851 2.762 -3.140 1.00 0.00 C ATOM 503 CE LYS A 33 -10.961 3.159 -2.180 1.00 0.00 C ATOM 504 NZ LYS A 33 -12.042 3.922 -2.865 1.00 0.00 N ATOM 0 H LYS A 33 -7.021 1.673 -0.935 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.641 -0.578 -0.114 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.002 0.273 -2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.873 1.329 -0.739 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.149 2.664 -1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.085 1.546 -3.187 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.429 3.657 -3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.267 2.159 -3.947 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.382 2.264 -1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.545 3.763 -1.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.779 4.174 -2.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.645 4.789 -3.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.457 3.336 -3.618 1.00 0.00 H new ATOM 518 N ASP A 34 -6.970 -0.577 -2.969 1.00 0.00 N ATOM 519 CA ASP A 34 -6.482 -1.444 -4.042 1.00 0.00 C ATOM 520 C ASP A 34 -6.049 -2.812 -3.523 1.00 0.00 C ATOM 521 O ASP A 34 -6.643 -3.827 -3.875 1.00 0.00 O ATOM 522 CB ASP A 34 -5.316 -0.781 -4.770 1.00 0.00 C ATOM 523 CG ASP A 34 -4.742 -1.658 -5.865 1.00 0.00 C ATOM 524 OD1 ASP A 34 -5.496 -2.017 -6.794 1.00 0.00 O ATOM 525 OD2 ASP A 34 -3.539 -1.986 -5.794 1.00 0.00 O ATOM 0 H ASP A 34 -6.641 0.387 -3.023 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.311 -1.595 -4.734 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.651 0.162 -5.202 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.532 -0.542 -4.052 1.00 0.00 H new ATOM 530 N GLY A 35 -5.006 -2.827 -2.701 1.00 0.00 N ATOM 531 CA GLY A 35 -4.493 -4.078 -2.157 1.00 0.00 C ATOM 532 C GLY A 35 -5.577 -4.998 -1.617 1.00 0.00 C ATOM 533 O GLY A 35 -5.409 -6.218 -1.612 1.00 0.00 O ATOM 0 H GLY A 35 -4.502 -1.993 -2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.938 -4.602 -2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.787 -3.854 -1.357 1.00 0.00 H new ATOM 537 N LEU A 36 -6.684 -4.422 -1.159 1.00 0.00 N ATOM 538 CA LEU A 36 -7.784 -5.213 -0.615 1.00 0.00 C ATOM 539 C LEU A 36 -8.775 -5.589 -1.713 1.00 0.00 C ATOM 540 O LEU A 36 -9.010 -6.768 -1.973 1.00 0.00 O ATOM 541 CB LEU A 36 -8.494 -4.440 0.491 1.00 0.00 C ATOM 542 CG LEU A 36 -8.914 -5.271 1.707 1.00 0.00 C ATOM 543 CD1 LEU A 36 -9.921 -6.334 1.309 1.00 0.00 C ATOM 544 CD2 LEU A 36 -7.699 -5.906 2.368 1.00 0.00 C ATOM 0 H LEU A 36 -6.844 -3.415 -1.153 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.371 -6.130 -0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.838 -3.638 0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.382 -3.969 0.070 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.388 -4.605 2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -10.206 -6.913 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.805 -5.857 0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.476 -6.997 0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.018 -6.492 3.230 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.195 -6.556 1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.013 -5.125 2.695 1.00 0.00 H new ATOM 556 N LYS A 37 -9.350 -4.578 -2.357 1.00 0.00 N ATOM 557 CA LYS A 37 -10.313 -4.792 -3.430 1.00 0.00 C ATOM 558 C LYS A 37 -9.684 -5.571 -4.584 1.00 0.00 C ATOM 559 O LYS A 37 -10.377 -6.003 -5.506 1.00 0.00 O ATOM 560 CB LYS A 37 -10.841 -3.446 -3.931 1.00 0.00 C ATOM 561 CG LYS A 37 -9.782 -2.568 -4.580 1.00 0.00 C ATOM 562 CD LYS A 37 -10.400 -1.319 -5.192 1.00 0.00 C ATOM 563 CE LYS A 37 -11.113 -0.478 -4.145 1.00 0.00 C ATOM 564 NZ LYS A 37 -11.843 0.669 -4.754 1.00 0.00 N ATOM 0 H LYS A 37 -9.163 -3.596 -2.152 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.141 -5.380 -3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.640 -3.626 -4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.282 -2.906 -3.093 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.038 -2.282 -3.837 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.260 -3.134 -5.352 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.622 -0.724 -5.670 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.106 -1.606 -5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.815 -1.104 -3.594 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.386 -0.104 -3.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.127 1.335 -4.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.223 1.154 -5.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.689 0.319 -5.247 1.00 0.00 H new ATOM 578 N ARG A 38 -8.367 -5.745 -4.524 1.00 0.00 N ATOM 579 CA ARG A 38 -7.637 -6.469 -5.556 1.00 0.00 C ATOM 580 C ARG A 38 -7.995 -7.952 -5.536 1.00 0.00 C ATOM 581 O ARG A 38 -8.045 -8.599 -6.583 1.00 0.00 O ATOM 582 CB ARG A 38 -6.125 -6.259 -5.372 1.00 0.00 C ATOM 583 CG ARG A 38 -5.245 -7.130 -6.262 1.00 0.00 C ATOM 584 CD ARG A 38 -4.966 -8.488 -5.630 1.00 0.00 C ATOM 585 NE ARG A 38 -4.139 -9.336 -6.487 1.00 0.00 N ATOM 586 CZ ARG A 38 -4.511 -9.761 -7.693 1.00 0.00 C ATOM 587 NH1 ARG A 38 -5.696 -9.428 -8.185 1.00 0.00 N ATOM 588 NH2 ARG A 38 -3.695 -10.524 -8.406 1.00 0.00 N ATOM 0 H ARG A 38 -7.782 -5.392 -3.767 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.924 -6.077 -6.532 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.891 -5.212 -5.567 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.870 -6.454 -4.330 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.732 -7.272 -7.227 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.302 -6.618 -6.453 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.466 -8.345 -4.672 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.910 -8.992 -5.425 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.222 -9.619 -6.140 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.329 -8.843 -7.639 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.975 -9.757 -9.109 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.783 -10.785 -8.031 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.979 -10.850 -9.330 1.00 0.00 H new ATOM 602 N VAL A 39 -8.244 -8.490 -4.344 1.00 0.00 N ATOM 603 CA VAL A 39 -8.595 -9.899 -4.203 1.00 0.00 C ATOM 604 C VAL A 39 -10.073 -10.139 -4.511 1.00 0.00 C ATOM 605 O VAL A 39 -10.516 -11.283 -4.605 1.00 0.00 O ATOM 606 CB VAL A 39 -8.282 -10.416 -2.784 1.00 0.00 C ATOM 607 CG1 VAL A 39 -6.803 -10.251 -2.472 1.00 0.00 C ATOM 608 CG2 VAL A 39 -9.136 -9.703 -1.746 1.00 0.00 C ATOM 0 H VAL A 39 -8.209 -7.973 -3.466 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.989 -10.448 -4.924 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.525 -11.478 -2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.600 -10.621 -1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.214 -10.817 -3.193 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.534 -9.196 -2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.897 -10.085 -0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.933 -8.633 -1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.190 -9.880 -1.959 1.00 0.00 H new ATOM 618 N GLY A 40 -10.829 -9.054 -4.672 1.00 0.00 N ATOM 619 CA GLY A 40 -12.246 -9.177 -4.974 1.00 0.00 C ATOM 620 C GLY A 40 -13.118 -8.337 -4.060 1.00 0.00 C ATOM 621 O GLY A 40 -14.280 -8.074 -4.370 1.00 0.00 O ATOM 0 H GLY A 40 -10.487 -8.096 -4.599 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.419 -8.879 -6.008 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.541 -10.223 -4.890 1.00 0.00 H new ATOM 625 N SER A 41 -12.558 -7.918 -2.930 1.00 0.00 N ATOM 626 CA SER A 41 -13.282 -7.110 -1.964 1.00 0.00 C ATOM 627 C SER A 41 -13.680 -5.759 -2.553 1.00 0.00 C ATOM 628 O SER A 41 -13.220 -5.377 -3.628 1.00 0.00 O ATOM 629 CB SER A 41 -12.413 -6.907 -0.728 1.00 0.00 C ATOM 630 OG SER A 41 -12.224 -8.126 -0.031 1.00 0.00 O ATOM 0 H SER A 41 -11.597 -8.129 -2.662 1.00 0.00 H new ATOM 0 HA SER A 41 -14.198 -7.634 -1.692 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.446 -6.499 -1.023 1.00 0.00 H new ATOM 0 HB3 SER A 41 -12.879 -6.176 -0.068 1.00 0.00 H new ATOM 0 HG SER A 41 -12.109 -7.942 0.925 1.00 0.00 H new ATOM 636 N GLU A 42 -14.546 -5.043 -1.838 1.00 0.00 N ATOM 637 CA GLU A 42 -15.011 -3.737 -2.291 1.00 0.00 C ATOM 638 C GLU A 42 -15.292 -2.801 -1.116 1.00 0.00 C ATOM 639 O GLU A 42 -16.236 -3.002 -0.353 1.00 0.00 O ATOM 640 CB GLU A 42 -16.263 -3.892 -3.159 1.00 0.00 C ATOM 641 CG GLU A 42 -17.399 -4.631 -2.470 1.00 0.00 C ATOM 642 CD GLU A 42 -18.627 -4.766 -3.351 1.00 0.00 C ATOM 643 OE1 GLU A 42 -18.592 -4.278 -4.500 1.00 0.00 O ATOM 644 OE2 GLU A 42 -19.624 -5.361 -2.890 1.00 0.00 O ATOM 0 H GLU A 42 -14.938 -5.345 -0.946 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.216 -3.290 -2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -16.613 -2.903 -3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -15.997 -4.424 -4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -17.056 -5.623 -2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -17.669 -4.103 -1.555 1.00 0.00 H new ATOM 651 N LEU A 43 -14.459 -1.773 -0.984 1.00 0.00 N ATOM 652 CA LEU A 43 -14.598 -0.792 0.086 1.00 0.00 C ATOM 653 C LEU A 43 -14.795 0.602 -0.495 1.00 0.00 C ATOM 654 O LEU A 43 -14.540 0.829 -1.679 1.00 0.00 O ATOM 655 CB LEU A 43 -13.355 -0.798 0.976 1.00 0.00 C ATOM 656 CG LEU A 43 -12.938 -2.168 1.506 1.00 0.00 C ATOM 657 CD1 LEU A 43 -11.624 -2.062 2.266 1.00 0.00 C ATOM 658 CD2 LEU A 43 -14.024 -2.753 2.397 1.00 0.00 C ATOM 0 H LEU A 43 -13.674 -1.598 -1.611 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.470 -1.059 0.683 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.523 -0.376 0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.533 -0.137 1.824 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.796 -2.838 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.339 -3.046 2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.847 -1.687 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.743 -1.377 3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.707 -3.729 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.199 -2.087 3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.945 -2.862 1.824 1.00 0.00 H new ATOM 670 N MET A 44 -15.222 1.544 0.341 1.00 0.00 N ATOM 671 CA MET A 44 -15.419 2.919 -0.087 1.00 0.00 C ATOM 672 C MET A 44 -14.417 3.811 0.632 1.00 0.00 C ATOM 673 O MET A 44 -13.832 3.398 1.632 1.00 0.00 O ATOM 674 CB MET A 44 -16.850 3.374 0.210 1.00 0.00 C ATOM 675 CG MET A 44 -17.241 3.238 1.673 1.00 0.00 C ATOM 676 SD MET A 44 -18.940 3.755 1.989 1.00 0.00 S ATOM 677 CE MET A 44 -19.079 3.409 3.740 1.00 0.00 C ATOM 0 H MET A 44 -15.438 1.375 1.323 1.00 0.00 H new ATOM 0 HA MET A 44 -15.261 2.989 -1.163 1.00 0.00 H new ATOM 0 HB2 MET A 44 -16.961 4.415 -0.092 1.00 0.00 H new ATOM 0 HB3 MET A 44 -17.541 2.790 -0.398 1.00 0.00 H new ATOM 0 HG2 MET A 44 -17.117 2.200 1.983 1.00 0.00 H new ATOM 0 HG3 MET A 44 -16.564 3.836 2.283 1.00 0.00 H new ATOM 0 HE1 MET A 44 -19.939 3.940 4.149 1.00 0.00 H new ATOM 0 HE2 MET A 44 -19.209 2.337 3.890 1.00 0.00 H new ATOM 0 HE3 MET A 44 -18.174 3.739 4.249 1.00 0.00 H new ATOM 687 N GLU A 45 -14.201 5.016 0.120 1.00 0.00 N ATOM 688 CA GLU A 45 -13.238 5.926 0.728 1.00 0.00 C ATOM 689 C GLU A 45 -13.413 6.028 2.239 1.00 0.00 C ATOM 690 O GLU A 45 -12.512 5.641 2.981 1.00 0.00 O ATOM 691 CB GLU A 45 -13.302 7.288 0.072 1.00 0.00 C ATOM 692 CG GLU A 45 -12.711 7.284 -1.325 1.00 0.00 C ATOM 693 CD GLU A 45 -12.619 8.674 -1.927 1.00 0.00 C ATOM 694 OE1 GLU A 45 -11.955 9.539 -1.320 1.00 0.00 O ATOM 695 OE2 GLU A 45 -13.211 8.895 -3.004 1.00 0.00 O ATOM 0 H GLU A 45 -14.674 5.383 -0.706 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.245 5.510 0.557 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.340 7.617 0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.767 8.011 0.688 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.716 6.840 -1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.321 6.653 -1.971 1.00 0.00 H new ATOM 702 N SER A 46 -14.543 6.567 2.706 1.00 0.00 N ATOM 703 CA SER A 46 -14.793 6.723 4.144 1.00 0.00 C ATOM 704 C SER A 46 -14.352 5.503 4.957 1.00 0.00 C ATOM 705 O SER A 46 -14.145 5.604 6.165 1.00 0.00 O ATOM 706 CB SER A 46 -16.278 6.995 4.391 1.00 0.00 C ATOM 707 OG SER A 46 -17.078 5.925 3.918 1.00 0.00 O ATOM 0 H SER A 46 -15.300 6.903 2.110 1.00 0.00 H new ATOM 0 HA SER A 46 -14.195 7.570 4.479 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.452 7.140 5.457 1.00 0.00 H new ATOM 0 HB3 SER A 46 -16.570 7.919 3.892 1.00 0.00 H new ATOM 0 HG SER A 46 -18.023 6.122 4.089 1.00 0.00 H new ATOM 713 N GLU A 47 -14.181 4.363 4.293 1.00 0.00 N ATOM 714 CA GLU A 47 -13.732 3.147 4.965 1.00 0.00 C ATOM 715 C GLU A 47 -12.212 3.088 4.940 1.00 0.00 C ATOM 716 O GLU A 47 -11.567 2.869 5.962 1.00 0.00 O ATOM 717 CB GLU A 47 -14.324 1.903 4.302 1.00 0.00 C ATOM 718 CG GLU A 47 -15.825 1.779 4.489 1.00 0.00 C ATOM 719 CD GLU A 47 -16.384 0.491 3.919 1.00 0.00 C ATOM 720 OE1 GLU A 47 -16.236 0.265 2.699 1.00 0.00 O ATOM 721 OE2 GLU A 47 -16.968 -0.296 4.693 1.00 0.00 O ATOM 0 H GLU A 47 -14.346 4.256 3.292 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.078 3.169 5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.099 1.926 3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.840 1.016 4.711 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.060 1.832 5.552 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.317 2.626 4.011 1.00 0.00 H new ATOM 728 N ILE A 48 -11.650 3.333 3.761 1.00 0.00 N ATOM 729 CA ILE A 48 -10.206 3.363 3.584 1.00 0.00 C ATOM 730 C ILE A 48 -9.602 4.329 4.586 1.00 0.00 C ATOM 731 O ILE A 48 -8.791 3.961 5.439 1.00 0.00 O ATOM 732 CB ILE A 48 -9.845 3.829 2.157 1.00 0.00 C ATOM 733 CG1 ILE A 48 -9.962 2.674 1.172 1.00 0.00 C ATOM 734 CG2 ILE A 48 -8.444 4.420 2.112 1.00 0.00 C ATOM 735 CD1 ILE A 48 -11.340 2.058 1.095 1.00 0.00 C ATOM 0 H ILE A 48 -12.179 3.515 2.908 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.812 2.359 3.740 1.00 0.00 H new ATOM 0 HB ILE A 48 -10.552 4.607 1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -9.679 3.028 0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -9.246 1.901 1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.216 4.740 1.095 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -8.389 5.277 2.783 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.721 3.667 2.426 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -11.335 1.244 0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -11.621 1.670 2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -12.060 2.815 0.784 1.00 0.00 H new ATOM 747 N LYS A 49 -10.042 5.567 4.470 1.00 0.00 N ATOM 748 CA LYS A 49 -9.614 6.640 5.341 1.00 0.00 C ATOM 749 C LYS A 49 -9.858 6.265 6.797 1.00 0.00 C ATOM 750 O LYS A 49 -9.162 6.732 7.705 1.00 0.00 O ATOM 751 CB LYS A 49 -10.405 7.889 4.976 1.00 0.00 C ATOM 752 CG LYS A 49 -10.193 9.059 5.907 1.00 0.00 C ATOM 753 CD LYS A 49 -11.156 10.182 5.577 1.00 0.00 C ATOM 754 CE LYS A 49 -10.802 10.855 4.260 1.00 0.00 C ATOM 755 NZ LYS A 49 -9.427 11.426 4.278 1.00 0.00 N ATOM 0 H LYS A 49 -10.714 5.857 3.760 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.547 6.823 5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.135 8.192 3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.466 7.640 4.961 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -10.337 8.740 6.939 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.167 9.416 5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.171 9.788 5.523 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.143 10.921 6.379 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.883 10.131 3.449 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.521 11.648 4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.335 12.134 3.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.250 11.877 5.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.733 10.666 4.126 1.00 0.00 H new ATOM 769 N ASP A 50 -10.852 5.409 7.010 1.00 0.00 N ATOM 770 CA ASP A 50 -11.195 4.961 8.351 1.00 0.00 C ATOM 771 C ASP A 50 -10.104 4.054 8.895 1.00 0.00 C ATOM 772 O ASP A 50 -9.678 4.199 10.039 1.00 0.00 O ATOM 773 CB ASP A 50 -12.541 4.235 8.347 1.00 0.00 C ATOM 774 CG ASP A 50 -13.000 3.846 9.740 1.00 0.00 C ATOM 775 OD1 ASP A 50 -12.290 3.062 10.404 1.00 0.00 O ATOM 776 OD2 ASP A 50 -14.072 4.325 10.166 1.00 0.00 O ATOM 0 H ASP A 50 -11.433 5.013 6.271 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.279 5.834 8.998 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.293 4.875 7.887 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.464 3.339 7.731 1.00 0.00 H new ATOM 781 N LEU A 51 -9.644 3.124 8.063 1.00 0.00 N ATOM 782 CA LEU A 51 -8.590 2.204 8.463 1.00 0.00 C ATOM 783 C LEU A 51 -7.280 2.958 8.635 1.00 0.00 C ATOM 784 O LEU A 51 -6.377 2.509 9.337 1.00 0.00 O ATOM 785 CB LEU A 51 -8.435 1.078 7.435 1.00 0.00 C ATOM 786 CG LEU A 51 -7.508 -0.062 7.860 1.00 0.00 C ATOM 787 CD1 LEU A 51 -7.902 -1.355 7.164 1.00 0.00 C ATOM 788 CD2 LEU A 51 -6.054 0.272 7.555 1.00 0.00 C ATOM 0 H LEU A 51 -9.985 2.990 7.111 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.863 1.753 9.417 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.420 0.664 7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.059 1.505 6.505 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.611 -0.193 8.937 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.232 -2.156 7.478 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.927 -1.614 7.430 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.830 -1.224 6.084 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.417 -0.556 7.867 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.935 0.437 6.484 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.767 1.174 8.095 1.00 0.00 H new ATOM 800 N MET A 52 -7.192 4.118 7.998 1.00 0.00 N ATOM 801 CA MET A 52 -6.002 4.946 8.092 1.00 0.00 C ATOM 802 C MET A 52 -5.895 5.587 9.469 1.00 0.00 C ATOM 803 O MET A 52 -4.827 5.629 10.068 1.00 0.00 O ATOM 804 CB MET A 52 -6.028 6.037 7.028 1.00 0.00 C ATOM 805 CG MET A 52 -5.609 5.571 5.645 1.00 0.00 C ATOM 806 SD MET A 52 -3.922 4.935 5.607 1.00 0.00 S ATOM 807 CE MET A 52 -3.658 4.791 3.842 1.00 0.00 C ATOM 0 H MET A 52 -7.931 4.505 7.411 1.00 0.00 H new ATOM 0 HA MET A 52 -5.135 4.305 7.932 1.00 0.00 H new ATOM 0 HB2 MET A 52 -7.036 6.448 6.970 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.370 6.848 7.340 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.294 4.794 5.305 1.00 0.00 H new ATOM 0 HG3 MET A 52 -5.696 6.401 4.944 1.00 0.00 H new ATOM 0 HE1 MET A 52 -2.923 4.011 3.647 1.00 0.00 H new ATOM 0 HE2 MET A 52 -4.598 4.535 3.353 1.00 0.00 H new ATOM 0 HE3 MET A 52 -3.293 5.740 3.450 1.00 0.00 H new ATOM 817 N ASP A 53 -7.001 6.099 9.968 1.00 0.00 N ATOM 818 CA ASP A 53 -6.993 6.746 11.274 1.00 0.00 C ATOM 819 C ASP A 53 -7.216 5.724 12.382 1.00 0.00 C ATOM 820 O ASP A 53 -6.932 5.983 13.552 1.00 0.00 O ATOM 821 CB ASP A 53 -8.062 7.841 11.331 1.00 0.00 C ATOM 822 CG ASP A 53 -8.019 8.640 12.621 1.00 0.00 C ATOM 823 OD1 ASP A 53 -8.324 8.067 13.688 1.00 0.00 O ATOM 824 OD2 ASP A 53 -7.678 9.839 12.562 1.00 0.00 O ATOM 0 H ASP A 53 -7.908 6.083 9.501 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.016 7.205 11.425 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.929 8.517 10.486 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.047 7.387 11.223 1.00 0.00 H new ATOM 829 N ALA A 54 -7.734 4.566 12.003 1.00 0.00 N ATOM 830 CA ALA A 54 -8.013 3.504 12.958 1.00 0.00 C ATOM 831 C ALA A 54 -6.844 2.532 13.124 1.00 0.00 C ATOM 832 O ALA A 54 -6.545 2.101 14.237 1.00 0.00 O ATOM 833 CB ALA A 54 -9.255 2.744 12.532 1.00 0.00 C ATOM 0 H ALA A 54 -7.970 4.337 11.038 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.174 3.979 13.926 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.460 1.950 13.250 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.104 3.427 12.494 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.095 2.309 11.546 1.00 0.00 H new ATOM 839 N ALA A 55 -6.210 2.154 12.015 1.00 0.00 N ATOM 840 CA ALA A 55 -5.114 1.189 12.062 1.00 0.00 C ATOM 841 C ALA A 55 -3.754 1.796 11.747 1.00 0.00 C ATOM 842 O ALA A 55 -2.773 1.474 12.416 1.00 0.00 O ATOM 843 CB ALA A 55 -5.401 0.037 11.113 1.00 0.00 C ATOM 0 H ALA A 55 -6.434 2.498 11.081 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.060 0.830 13.090 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.581 -0.680 11.152 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.327 -0.456 11.408 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.501 0.419 10.097 1.00 0.00 H new ATOM 849 N ASP A 56 -3.682 2.650 10.729 1.00 0.00 N ATOM 850 CA ASP A 56 -2.407 3.260 10.355 1.00 0.00 C ATOM 851 C ASP A 56 -1.723 3.840 11.592 1.00 0.00 C ATOM 852 O ASP A 56 -2.033 4.951 12.024 1.00 0.00 O ATOM 853 CB ASP A 56 -2.607 4.352 9.303 1.00 0.00 C ATOM 854 CG ASP A 56 -1.313 4.745 8.621 1.00 0.00 C ATOM 855 OD1 ASP A 56 -0.324 5.008 9.331 1.00 0.00 O ATOM 856 OD2 ASP A 56 -1.292 4.799 7.374 1.00 0.00 O ATOM 0 H ASP A 56 -4.477 2.933 10.156 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.772 2.486 9.923 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.318 4.004 8.553 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.046 5.231 9.775 1.00 0.00 H new ATOM 861 N ILE A 57 -0.802 3.067 12.159 1.00 0.00 N ATOM 862 CA ILE A 57 -0.070 3.471 13.356 1.00 0.00 C ATOM 863 C ILE A 57 0.613 4.820 13.158 1.00 0.00 C ATOM 864 O ILE A 57 1.011 5.479 14.120 1.00 0.00 O ATOM 865 CB ILE A 57 0.999 2.422 13.723 1.00 0.00 C ATOM 866 CG1 ILE A 57 0.381 1.023 13.782 1.00 0.00 C ATOM 867 CG2 ILE A 57 1.665 2.767 15.048 1.00 0.00 C ATOM 868 CD1 ILE A 57 -0.725 0.881 14.808 1.00 0.00 C ATOM 0 H ILE A 57 -0.542 2.147 11.804 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.797 3.553 14.164 1.00 0.00 H new ATOM 0 HB ILE A 57 1.763 2.430 12.946 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.015 0.770 12.798 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.165 0.300 14.006 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.415 2.013 15.285 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.144 3.743 14.971 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.914 2.792 15.837 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.111 -0.138 14.788 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.331 1.101 15.800 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.530 1.578 14.575 1.00 0.00 H new ATOM 880 N ASP A 58 0.751 5.217 11.903 1.00 0.00 N ATOM 881 CA ASP A 58 1.397 6.483 11.566 1.00 0.00 C ATOM 882 C ASP A 58 0.561 7.272 10.562 1.00 0.00 C ATOM 883 O ASP A 58 1.084 7.766 9.564 1.00 0.00 O ATOM 884 CB ASP A 58 2.799 6.227 11.008 1.00 0.00 C ATOM 885 CG ASP A 58 3.581 7.508 10.786 1.00 0.00 C ATOM 886 OD1 ASP A 58 3.795 8.252 11.767 1.00 0.00 O ATOM 887 OD2 ASP A 58 3.979 7.768 9.631 1.00 0.00 O ATOM 0 H ASP A 58 0.425 4.683 11.098 1.00 0.00 H new ATOM 0 HA ASP A 58 1.482 7.077 12.476 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.348 5.585 11.696 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.718 5.687 10.065 1.00 0.00 H new ATOM 892 N LYS A 59 -0.748 7.321 10.812 1.00 0.00 N ATOM 893 CA LYS A 59 -1.705 7.973 9.925 1.00 0.00 C ATOM 894 C LYS A 59 -1.118 9.161 9.167 1.00 0.00 C ATOM 895 O LYS A 59 -1.214 10.315 9.589 1.00 0.00 O ATOM 896 CB LYS A 59 -2.915 8.442 10.728 1.00 0.00 C ATOM 897 CG LYS A 59 -3.894 9.258 9.919 1.00 0.00 C ATOM 898 CD LYS A 59 -4.643 8.414 8.909 1.00 0.00 C ATOM 899 CE LYS A 59 -5.625 9.251 8.106 1.00 0.00 C ATOM 900 NZ LYS A 59 -4.939 10.337 7.351 1.00 0.00 N ATOM 0 H LYS A 59 -1.174 6.906 11.641 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.994 7.229 9.182 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.429 7.572 11.137 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.571 9.036 11.575 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.607 9.737 10.590 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.360 10.054 9.400 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.933 7.936 8.234 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.179 7.617 9.425 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.165 8.609 7.410 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.365 9.687 8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.584 10.720 6.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.664 11.096 8.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.090 9.955 6.888 1.00 0.00 H new ATOM 914 N SER A 60 -0.541 8.843 8.017 1.00 0.00 N ATOM 915 CA SER A 60 0.041 9.829 7.120 1.00 0.00 C ATOM 916 C SER A 60 -0.522 9.604 5.727 1.00 0.00 C ATOM 917 O SER A 60 0.058 10.025 4.726 1.00 0.00 O ATOM 918 CB SER A 60 1.565 9.707 7.093 1.00 0.00 C ATOM 919 OG SER A 60 1.967 8.420 6.654 1.00 0.00 O ATOM 0 H SER A 60 -0.463 7.884 7.678 1.00 0.00 H new ATOM 0 HA SER A 60 -0.209 10.830 7.471 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.982 10.467 6.432 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.966 9.896 8.089 1.00 0.00 H new ATOM 0 HG SER A 60 1.857 7.776 7.385 1.00 0.00 H new ATOM 925 N GLY A 61 -1.647 8.895 5.680 1.00 0.00 N ATOM 926 CA GLY A 61 -2.266 8.574 4.414 1.00 0.00 C ATOM 927 C GLY A 61 -1.445 7.545 3.670 1.00 0.00 C ATOM 928 O GLY A 61 -1.598 7.362 2.458 1.00 0.00 O ATOM 0 H GLY A 61 -2.138 8.539 6.500 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.273 8.193 4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.363 9.476 3.810 1.00 0.00 H new ATOM 932 N THR A 62 -0.561 6.881 4.419 1.00 0.00 N ATOM 933 CA THR A 62 0.325 5.867 3.868 1.00 0.00 C ATOM 934 C THR A 62 0.689 4.829 4.933 1.00 0.00 C ATOM 935 O THR A 62 1.131 5.179 6.027 1.00 0.00 O ATOM 936 CB THR A 62 1.597 6.528 3.333 1.00 0.00 C ATOM 937 OG1 THR A 62 1.278 7.539 2.395 1.00 0.00 O ATOM 938 CG2 THR A 62 2.538 5.557 2.657 1.00 0.00 C ATOM 0 H THR A 62 -0.444 7.034 5.421 1.00 0.00 H new ATOM 0 HA THR A 62 -0.192 5.360 3.053 1.00 0.00 H new ATOM 0 HB THR A 62 2.097 6.943 4.208 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.104 7.951 2.065 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.419 6.092 2.301 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.842 4.790 3.369 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.032 5.088 1.813 1.00 0.00 H new ATOM 946 N ILE A 63 0.497 3.552 4.605 1.00 0.00 N ATOM 947 CA ILE A 63 0.798 2.471 5.524 1.00 0.00 C ATOM 948 C ILE A 63 2.077 1.761 5.116 1.00 0.00 C ATOM 949 O ILE A 63 2.276 1.441 3.947 1.00 0.00 O ATOM 950 CB ILE A 63 -0.355 1.447 5.595 1.00 0.00 C ATOM 951 CG1 ILE A 63 -1.604 2.095 6.202 1.00 0.00 C ATOM 952 CG2 ILE A 63 0.062 0.222 6.399 1.00 0.00 C ATOM 953 CD1 ILE A 63 -2.781 1.151 6.330 1.00 0.00 C ATOM 0 H ILE A 63 0.132 3.246 3.703 1.00 0.00 H new ATOM 0 HA ILE A 63 0.927 2.915 6.511 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.592 1.122 4.582 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.356 2.487 7.188 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.897 2.945 5.586 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.765 -0.487 6.437 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.923 -0.249 5.924 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.327 0.525 7.412 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.627 1.681 6.767 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.057 0.778 5.344 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.507 0.313 6.971 1.00 0.00 H new ATOM 965 N ASP A 64 2.946 1.526 6.082 1.00 0.00 N ATOM 966 CA ASP A 64 4.209 0.864 5.811 1.00 0.00 C ATOM 967 C ASP A 64 4.197 -0.572 6.305 1.00 0.00 C ATOM 968 O ASP A 64 3.291 -0.980 7.026 1.00 0.00 O ATOM 969 CB ASP A 64 5.373 1.640 6.424 1.00 0.00 C ATOM 970 CG ASP A 64 5.493 3.044 5.866 1.00 0.00 C ATOM 971 OD1 ASP A 64 5.680 3.181 4.638 1.00 0.00 O ATOM 972 OD2 ASP A 64 5.398 4.008 6.655 1.00 0.00 O ATOM 0 H ASP A 64 2.801 1.783 7.058 1.00 0.00 H new ATOM 0 HA ASP A 64 4.346 0.842 4.730 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.241 1.692 7.505 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.302 1.099 6.242 1.00 0.00 H new ATOM 977 N TYR A 65 5.206 -1.334 5.880 1.00 0.00 N ATOM 978 CA TYR A 65 5.327 -2.741 6.245 1.00 0.00 C ATOM 979 C TYR A 65 4.849 -2.990 7.663 1.00 0.00 C ATOM 980 O TYR A 65 4.094 -3.927 7.916 1.00 0.00 O ATOM 981 CB TYR A 65 6.772 -3.220 6.094 1.00 0.00 C ATOM 982 CG TYR A 65 6.982 -4.648 6.553 1.00 0.00 C ATOM 983 CD1 TYR A 65 6.078 -5.647 6.211 1.00 0.00 C ATOM 984 CD2 TYR A 65 8.077 -4.993 7.335 1.00 0.00 C ATOM 985 CE1 TYR A 65 6.259 -6.949 6.635 1.00 0.00 C ATOM 986 CE2 TYR A 65 8.265 -6.295 7.762 1.00 0.00 C ATOM 987 CZ TYR A 65 7.353 -7.268 7.409 1.00 0.00 C ATOM 988 OH TYR A 65 7.538 -8.564 7.833 1.00 0.00 O ATOM 0 H TYR A 65 5.956 -0.994 5.278 1.00 0.00 H new ATOM 0 HA TYR A 65 4.692 -3.307 5.564 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.068 -3.135 5.048 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.427 -2.562 6.665 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.220 -5.401 5.603 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.792 -4.233 7.614 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.547 -7.713 6.361 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.122 -6.549 8.369 1.00 0.00 H new ATOM 0 HH TYR A 65 8.357 -8.619 8.368 1.00 0.00 H new ATOM 998 N GLY A 66 5.293 -2.152 8.586 1.00 0.00 N ATOM 999 CA GLY A 66 4.893 -2.320 9.958 1.00 0.00 C ATOM 1000 C GLY A 66 3.447 -1.933 10.196 1.00 0.00 C ATOM 1001 O GLY A 66 2.667 -2.729 10.723 1.00 0.00 O ATOM 0 H GLY A 66 5.918 -1.366 8.408 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.040 -3.360 10.250 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.537 -1.715 10.597 1.00 0.00 H new ATOM 1005 N GLU A 67 3.087 -0.715 9.804 1.00 0.00 N ATOM 1006 CA GLU A 67 1.724 -0.229 9.969 1.00 0.00 C ATOM 1007 C GLU A 67 0.731 -1.214 9.350 1.00 0.00 C ATOM 1008 O GLU A 67 -0.435 -1.265 9.741 1.00 0.00 O ATOM 1009 CB GLU A 67 1.587 1.146 9.315 1.00 0.00 C ATOM 1010 CG GLU A 67 2.707 2.103 9.691 1.00 0.00 C ATOM 1011 CD GLU A 67 2.646 3.412 8.926 1.00 0.00 C ATOM 1012 OE1 GLU A 67 1.647 3.638 8.214 1.00 0.00 O ATOM 1013 OE2 GLU A 67 3.598 4.210 9.046 1.00 0.00 O ATOM 0 H GLU A 67 3.723 -0.046 9.369 1.00 0.00 H new ATOM 0 HA GLU A 67 1.502 -0.141 11.033 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.569 1.026 8.232 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.631 1.584 9.603 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.658 2.310 10.760 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.667 1.623 9.503 1.00 0.00 H new ATOM 1020 N PHE A 68 1.215 -2.004 8.391 1.00 0.00 N ATOM 1021 CA PHE A 68 0.393 -3.002 7.719 1.00 0.00 C ATOM 1022 C PHE A 68 0.015 -4.108 8.677 1.00 0.00 C ATOM 1023 O PHE A 68 -1.161 -4.367 8.928 1.00 0.00 O ATOM 1024 CB PHE A 68 1.155 -3.621 6.559 1.00 0.00 C ATOM 1025 CG PHE A 68 0.326 -4.519 5.703 1.00 0.00 C ATOM 1026 CD1 PHE A 68 -0.692 -4.006 4.928 1.00 0.00 C ATOM 1027 CD2 PHE A 68 0.569 -5.882 5.679 1.00 0.00 C ATOM 1028 CE1 PHE A 68 -1.456 -4.837 4.134 1.00 0.00 C ATOM 1029 CE2 PHE A 68 -0.192 -6.719 4.889 1.00 0.00 C ATOM 1030 CZ PHE A 68 -1.204 -6.196 4.114 1.00 0.00 C ATOM 0 H PHE A 68 2.180 -1.969 8.063 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.504 -2.502 7.354 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.567 -2.824 5.940 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.999 -4.187 6.952 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.893 -2.945 4.942 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.362 -6.294 6.285 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.250 -4.426 3.529 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.005 -7.781 4.878 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.800 -6.847 3.492 1.00 0.00 H new ATOM 1040 N ILE A 69 1.041 -4.768 9.190 1.00 0.00 N ATOM 1041 CA ILE A 69 0.861 -5.869 10.110 1.00 0.00 C ATOM 1042 C ILE A 69 -0.099 -5.489 11.226 1.00 0.00 C ATOM 1043 O ILE A 69 -1.050 -6.214 11.515 1.00 0.00 O ATOM 1044 CB ILE A 69 2.197 -6.318 10.722 1.00 0.00 C ATOM 1045 CG1 ILE A 69 3.320 -6.299 9.678 1.00 0.00 C ATOM 1046 CG2 ILE A 69 2.035 -7.707 11.289 1.00 0.00 C ATOM 1047 CD1 ILE A 69 3.036 -7.139 8.449 1.00 0.00 C ATOM 0 H ILE A 69 2.016 -4.554 8.979 1.00 0.00 H new ATOM 0 HA ILE A 69 0.443 -6.698 9.538 1.00 0.00 H new ATOM 0 HB ILE A 69 2.473 -5.623 11.515 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.496 -5.269 9.368 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.240 -6.654 10.143 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.979 -8.034 11.726 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.263 -7.698 12.058 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.746 -8.393 10.493 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.878 -7.072 7.760 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.890 -8.178 8.744 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.135 -6.772 7.957 1.00 0.00 H new ATOM 1059 N ALA A 70 0.141 -4.335 11.839 1.00 0.00 N ATOM 1060 CA ALA A 70 -0.721 -3.858 12.907 1.00 0.00 C ATOM 1061 C ALA A 70 -2.144 -3.698 12.389 1.00 0.00 C ATOM 1062 O ALA A 70 -3.098 -4.131 13.027 1.00 0.00 O ATOM 1063 CB ALA A 70 -0.201 -2.540 13.463 1.00 0.00 C ATOM 0 H ALA A 70 0.921 -3.718 11.614 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.721 -4.590 13.715 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.859 -2.197 14.262 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.805 -2.683 13.857 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.176 -1.794 12.668 1.00 0.00 H new ATOM 1069 N ALA A 71 -2.265 -3.059 11.229 1.00 0.00 N ATOM 1070 CA ALA A 71 -3.560 -2.816 10.597 1.00 0.00 C ATOM 1071 C ALA A 71 -4.459 -4.055 10.625 1.00 0.00 C ATOM 1072 O ALA A 71 -5.684 -3.934 10.627 1.00 0.00 O ATOM 1073 CB ALA A 71 -3.367 -2.338 9.167 1.00 0.00 C ATOM 0 H ALA A 71 -1.471 -2.696 10.701 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.061 -2.038 11.173 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.340 -2.161 8.708 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.792 -1.412 9.167 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.831 -3.098 8.599 1.00 0.00 H new ATOM 1303 N VAL A 85 -5.330 14.719 19.025 1.00 0.00 N ATOM 1304 CA VAL A 85 -4.948 14.764 17.619 1.00 0.00 C ATOM 1305 C VAL A 85 -5.669 13.696 16.800 1.00 0.00 C ATOM 1306 O VAL A 85 -5.901 13.881 15.605 1.00 0.00 O ATOM 1307 CB VAL A 85 -3.426 14.600 17.448 1.00 0.00 C ATOM 1308 CG1 VAL A 85 -2.964 13.259 17.999 1.00 0.00 C ATOM 1309 CG2 VAL A 85 -3.032 14.751 15.986 1.00 0.00 C ATOM 0 HA VAL A 85 -5.245 15.745 17.247 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.930 15.387 18.016 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.886 13.164 17.868 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.208 13.198 19.060 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.467 12.453 17.464 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.953 14.632 15.886 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.538 13.990 15.392 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.322 15.740 15.631 1.00 0.00 H new ATOM 1319 N SER A 86 -6.027 12.584 17.441 1.00 0.00 N ATOM 1320 CA SER A 86 -6.728 11.506 16.748 1.00 0.00 C ATOM 1321 C SER A 86 -7.958 12.054 16.035 1.00 0.00 C ATOM 1322 O SER A 86 -8.314 11.599 14.948 1.00 0.00 O ATOM 1323 CB SER A 86 -7.136 10.403 17.727 1.00 0.00 C ATOM 1324 OG SER A 86 -8.045 10.890 18.697 1.00 0.00 O ATOM 0 H SER A 86 -5.845 12.407 18.429 1.00 0.00 H new ATOM 0 HA SER A 86 -6.050 11.076 16.011 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.592 9.578 17.180 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.250 10.006 18.222 1.00 0.00 H new ATOM 0 HG SER A 86 -8.291 10.165 19.309 1.00 0.00 H new ATOM 1330 N ALA A 87 -8.590 13.048 16.651 1.00 0.00 N ATOM 1331 CA ALA A 87 -9.766 13.682 16.075 1.00 0.00 C ATOM 1332 C ALA A 87 -9.349 14.731 15.052 1.00 0.00 C ATOM 1333 O ALA A 87 -9.797 14.707 13.911 1.00 0.00 O ATOM 1334 CB ALA A 87 -10.618 14.302 17.165 1.00 0.00 C ATOM 0 H ALA A 87 -8.305 13.431 17.552 1.00 0.00 H new ATOM 0 HA ALA A 87 -10.362 12.924 15.567 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.494 14.772 16.719 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -10.938 13.527 17.862 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.036 15.053 17.699 1.00 0.00 H new ATOM 1340 N PHE A 88 -8.472 15.642 15.467 1.00 0.00 N ATOM 1341 CA PHE A 88 -7.968 16.688 14.581 1.00 0.00 C ATOM 1342 C PHE A 88 -7.609 16.102 13.218 1.00 0.00 C ATOM 1343 O PHE A 88 -7.644 16.791 12.204 1.00 0.00 O ATOM 1344 CB PHE A 88 -6.744 17.347 15.213 1.00 0.00 C ATOM 1345 CG PHE A 88 -6.340 18.629 14.553 1.00 0.00 C ATOM 1346 CD1 PHE A 88 -7.279 19.614 14.285 1.00 0.00 C ATOM 1347 CD2 PHE A 88 -5.018 18.858 14.210 1.00 0.00 C ATOM 1348 CE1 PHE A 88 -6.907 20.795 13.688 1.00 0.00 C ATOM 1349 CE2 PHE A 88 -4.640 20.042 13.612 1.00 0.00 C ATOM 1350 CZ PHE A 88 -5.586 21.012 13.351 1.00 0.00 C ATOM 0 H PHE A 88 -8.095 15.677 16.414 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.745 17.439 14.438 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -6.950 17.540 16.266 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -5.907 16.650 15.175 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.314 19.451 14.548 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -4.275 18.101 14.413 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -7.648 21.553 13.483 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.606 20.209 13.349 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.293 21.940 12.883 1.00 0.00 H new ATOM 1360 N SER A 89 -7.279 14.819 13.208 1.00 0.00 N ATOM 1361 CA SER A 89 -6.942 14.121 11.977 1.00 0.00 C ATOM 1362 C SER A 89 -8.190 13.517 11.342 1.00 0.00 C ATOM 1363 O SER A 89 -8.424 13.664 10.142 1.00 0.00 O ATOM 1364 CB SER A 89 -5.917 13.033 12.262 1.00 0.00 C ATOM 1365 OG SER A 89 -5.540 12.356 11.075 1.00 0.00 O ATOM 0 H SER A 89 -7.237 14.237 14.045 1.00 0.00 H new ATOM 0 HA SER A 89 -6.514 14.838 11.276 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.035 13.474 12.727 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.330 12.319 12.975 1.00 0.00 H new ATOM 0 HG SER A 89 -4.681 11.905 11.214 1.00 0.00 H new ATOM 1371 N TYR A 90 -8.990 12.831 12.159 1.00 0.00 N ATOM 1372 CA TYR A 90 -10.209 12.199 11.678 1.00 0.00 C ATOM 1373 C TYR A 90 -11.347 13.216 11.617 1.00 0.00 C ATOM 1374 O TYR A 90 -11.846 13.520 10.533 1.00 0.00 O ATOM 1375 CB TYR A 90 -10.574 11.012 12.575 1.00 0.00 C ATOM 1376 CG TYR A 90 -11.581 10.052 11.965 1.00 0.00 C ATOM 1377 CD1 TYR A 90 -12.076 10.242 10.677 1.00 0.00 C ATOM 1378 CD2 TYR A 90 -12.033 8.951 12.683 1.00 0.00 C ATOM 1379 CE1 TYR A 90 -12.989 9.365 10.127 1.00 0.00 C ATOM 1380 CE2 TYR A 90 -12.946 8.069 12.137 1.00 0.00 C ATOM 1381 CZ TYR A 90 -13.421 8.281 10.860 1.00 0.00 C ATOM 1382 OH TYR A 90 -14.330 7.403 10.314 1.00 0.00 O ATOM 0 H TYR A 90 -8.812 12.702 13.155 1.00 0.00 H new ATOM 0 HA TYR A 90 -10.041 11.824 10.668 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -9.665 10.461 12.816 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -10.975 11.392 13.515 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.740 11.090 10.099 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.665 8.782 13.684 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -13.363 9.528 9.127 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.286 7.218 12.708 1.00 0.00 H new ATOM 0 HH TYR A 90 -14.001 6.486 10.416 1.00 0.00 H new ATOM 1392 N PHE A 91 -11.735 13.770 12.767 1.00 0.00 N ATOM 1393 CA PHE A 91 -12.786 14.782 12.802 1.00 0.00 C ATOM 1394 C PHE A 91 -12.397 15.935 11.885 1.00 0.00 C ATOM 1395 O PHE A 91 -13.041 16.162 10.862 1.00 0.00 O ATOM 1396 CB PHE A 91 -13.013 15.286 14.231 1.00 0.00 C ATOM 1397 CG PHE A 91 -13.659 14.272 15.140 1.00 0.00 C ATOM 1398 CD1 PHE A 91 -13.193 12.967 15.198 1.00 0.00 C ATOM 1399 CD2 PHE A 91 -14.735 14.629 15.937 1.00 0.00 C ATOM 1400 CE1 PHE A 91 -13.788 12.040 16.032 1.00 0.00 C ATOM 1401 CE2 PHE A 91 -15.333 13.705 16.774 1.00 0.00 C ATOM 1402 CZ PHE A 91 -14.859 12.409 16.821 1.00 0.00 C ATOM 0 H PHE A 91 -11.340 13.536 13.678 1.00 0.00 H new ATOM 0 HA PHE A 91 -13.720 14.339 12.456 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -12.055 15.584 14.657 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -13.638 16.179 14.196 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -12.355 12.672 14.584 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -15.111 15.641 15.904 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -13.415 11.027 16.067 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -16.170 13.997 17.391 1.00 0.00 H new ATOM 0 HZ PHE A 91 -15.325 11.686 17.474 1.00 0.00 H new ATOM 1412 N ASP A 92 -11.311 16.632 12.233 1.00 0.00 N ATOM 1413 CA ASP A 92 -10.815 17.722 11.397 1.00 0.00 C ATOM 1414 C ASP A 92 -10.092 17.104 10.212 1.00 0.00 C ATOM 1415 O ASP A 92 -8.867 17.140 10.115 1.00 0.00 O ATOM 1416 CB ASP A 92 -9.875 18.636 12.193 1.00 0.00 C ATOM 1417 CG ASP A 92 -9.581 19.941 11.477 1.00 0.00 C ATOM 1418 OD1 ASP A 92 -9.175 19.897 10.300 1.00 0.00 O ATOM 1419 OD2 ASP A 92 -9.756 21.010 12.098 1.00 0.00 O ATOM 0 H ASP A 92 -10.766 16.462 13.078 1.00 0.00 H new ATOM 0 HA ASP A 92 -11.645 18.339 11.052 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -10.321 18.852 13.164 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.939 18.111 12.382 1.00 0.00 H new ATOM 1424 N LYS A 93 -10.874 16.479 9.346 1.00 0.00 N ATOM 1425 CA LYS A 93 -10.356 15.775 8.187 1.00 0.00 C ATOM 1426 C LYS A 93 -9.280 16.552 7.440 1.00 0.00 C ATOM 1427 O LYS A 93 -8.296 15.970 6.984 1.00 0.00 O ATOM 1428 CB LYS A 93 -11.494 15.430 7.234 1.00 0.00 C ATOM 1429 CG LYS A 93 -11.304 14.095 6.546 1.00 0.00 C ATOM 1430 CD LYS A 93 -11.645 12.944 7.479 1.00 0.00 C ATOM 1431 CE LYS A 93 -13.119 12.947 7.859 1.00 0.00 C ATOM 1432 NZ LYS A 93 -14.001 12.834 6.665 1.00 0.00 N ATOM 0 H LYS A 93 -11.890 16.447 9.429 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.886 14.866 8.562 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -12.433 15.417 7.787 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -11.579 16.212 6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.935 14.047 5.659 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.272 14.000 6.209 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -11.395 11.999 6.998 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -11.036 13.013 8.381 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -13.320 12.119 8.539 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -13.353 13.865 8.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -14.965 12.586 6.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -14.020 13.743 6.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -13.635 12.094 6.032 1.00 0.00 H new ATOM 1446 N ASP A 94 -9.469 17.856 7.289 1.00 0.00 N ATOM 1447 CA ASP A 94 -8.503 18.670 6.565 1.00 0.00 C ATOM 1448 C ASP A 94 -7.282 18.995 7.417 1.00 0.00 C ATOM 1449 O ASP A 94 -6.223 19.326 6.884 1.00 0.00 O ATOM 1450 CB ASP A 94 -9.158 19.965 6.081 1.00 0.00 C ATOM 1451 CG ASP A 94 -10.308 19.710 5.126 1.00 0.00 C ATOM 1452 OD1 ASP A 94 -10.074 19.089 4.066 1.00 0.00 O ATOM 1453 OD2 ASP A 94 -11.442 20.130 5.437 1.00 0.00 O ATOM 0 H ASP A 94 -10.273 18.368 7.653 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.166 18.089 5.706 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.521 20.528 6.941 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.410 20.585 5.587 1.00 0.00 H new ATOM 1458 N GLY A 95 -7.423 18.912 8.740 1.00 0.00 N ATOM 1459 CA GLY A 95 -6.314 19.214 9.631 1.00 0.00 C ATOM 1460 C GLY A 95 -5.879 20.668 9.553 1.00 0.00 C ATOM 1461 O GLY A 95 -5.043 21.115 10.338 1.00 0.00 O ATOM 0 H GLY A 95 -8.287 18.641 9.210 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.602 18.980 10.656 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.469 18.572 9.383 1.00 0.00 H new ATOM 1465 N SER A 96 -6.439 21.398 8.590 1.00 0.00 N ATOM 1466 CA SER A 96 -6.116 22.805 8.381 1.00 0.00 C ATOM 1467 C SER A 96 -6.335 23.614 9.650 1.00 0.00 C ATOM 1468 O SER A 96 -5.951 24.782 9.728 1.00 0.00 O ATOM 1469 CB SER A 96 -6.971 23.373 7.248 1.00 0.00 C ATOM 1470 OG SER A 96 -8.354 23.227 7.528 1.00 0.00 O ATOM 0 H SER A 96 -7.128 21.030 7.934 1.00 0.00 H new ATOM 0 HA SER A 96 -5.062 22.875 8.111 1.00 0.00 H new ATOM 0 HB2 SER A 96 -6.735 24.427 7.104 1.00 0.00 H new ATOM 0 HB3 SER A 96 -6.730 22.863 6.316 1.00 0.00 H new ATOM 0 HG SER A 96 -8.879 23.600 6.789 1.00 0.00 H new ATOM 1476 N GLY A 97 -6.941 22.984 10.646 1.00 0.00 N ATOM 1477 CA GLY A 97 -7.183 23.657 11.906 1.00 0.00 C ATOM 1478 C GLY A 97 -8.639 24.006 12.110 1.00 0.00 C ATOM 1479 O GLY A 97 -9.017 24.490 13.159 1.00 0.00 O ATOM 0 H GLY A 97 -7.269 22.019 10.604 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.848 23.019 12.724 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.586 24.568 11.947 1.00 0.00 H new ATOM 1483 N TYR A 98 -9.446 23.783 11.089 1.00 0.00 N ATOM 1484 CA TYR A 98 -10.869 24.095 11.138 1.00 0.00 C ATOM 1485 C TYR A 98 -11.734 22.894 10.743 1.00 0.00 C ATOM 1486 O TYR A 98 -11.374 22.117 9.858 1.00 0.00 O ATOM 1487 CB TYR A 98 -11.195 25.250 10.182 1.00 0.00 C ATOM 1488 CG TYR A 98 -10.560 26.583 10.522 1.00 0.00 C ATOM 1489 CD1 TYR A 98 -9.190 26.708 10.717 1.00 0.00 C ATOM 1490 CD2 TYR A 98 -11.342 27.725 10.631 1.00 0.00 C ATOM 1491 CE1 TYR A 98 -8.620 27.931 11.012 1.00 0.00 C ATOM 1492 CE2 TYR A 98 -10.780 28.951 10.928 1.00 0.00 C ATOM 1493 CZ TYR A 98 -9.418 29.049 11.118 1.00 0.00 C ATOM 1494 OH TYR A 98 -8.852 30.269 11.412 1.00 0.00 O ATOM 0 H TYR A 98 -9.138 23.382 10.203 1.00 0.00 H new ATOM 0 HA TYR A 98 -11.093 24.371 12.168 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -10.882 24.965 9.177 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -12.277 25.380 10.154 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -8.560 25.834 10.637 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -12.409 27.653 10.481 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.553 28.011 11.159 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.404 29.828 11.011 1.00 0.00 H new ATOM 0 HH TYR A 98 -9.552 30.954 11.450 1.00 0.00 H new ATOM 1504 N ILE A 99 -12.896 22.789 11.380 1.00 0.00 N ATOM 1505 CA ILE A 99 -13.864 21.732 11.087 1.00 0.00 C ATOM 1506 C ILE A 99 -15.243 22.344 10.922 1.00 0.00 C ATOM 1507 O ILE A 99 -15.885 22.659 11.911 1.00 0.00 O ATOM 1508 CB ILE A 99 -13.963 20.703 12.227 1.00 0.00 C ATOM 1509 CG1 ILE A 99 -12.621 20.087 12.536 1.00 0.00 C ATOM 1510 CG2 ILE A 99 -14.973 19.620 11.886 1.00 0.00 C ATOM 1511 CD1 ILE A 99 -12.682 19.132 13.711 1.00 0.00 C ATOM 0 H ILE A 99 -13.195 23.432 12.113 1.00 0.00 H new ATOM 0 HA ILE A 99 -13.525 21.233 10.179 1.00 0.00 H new ATOM 0 HB ILE A 99 -14.302 21.233 13.117 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -12.257 19.555 11.657 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -11.902 20.878 12.750 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -15.028 18.903 12.705 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -15.953 20.072 11.733 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -14.664 19.108 10.975 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -11.691 18.715 13.893 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -13.019 19.668 14.598 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -13.380 18.325 13.488 1.00 0.00 H new ATOM 1523 N THR A 100 -15.727 22.496 9.706 1.00 0.00 N ATOM 1524 CA THR A 100 -17.050 23.069 9.518 1.00 0.00 C ATOM 1525 C THR A 100 -18.121 22.041 9.849 1.00 0.00 C ATOM 1526 O THR A 100 -17.871 20.841 9.753 1.00 0.00 O ATOM 1527 CB THR A 100 -17.196 23.565 8.082 1.00 0.00 C ATOM 1528 OG1 THR A 100 -17.186 22.479 7.173 1.00 0.00 O ATOM 1529 CG2 THR A 100 -16.086 24.512 7.679 1.00 0.00 C ATOM 0 H THR A 100 -15.239 22.238 8.848 1.00 0.00 H new ATOM 0 HA THR A 100 -17.175 23.916 10.193 1.00 0.00 H new ATOM 0 HB THR A 100 -18.147 24.096 8.045 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.282 22.817 6.258 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.239 24.834 6.649 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.093 25.382 8.336 1.00 0.00 H new ATOM 0 HG23 THR A 100 -15.126 24.003 7.761 1.00 0.00 H new ATOM 1537 N LEU A 101 -19.301 22.512 10.267 1.00 0.00 N ATOM 1538 CA LEU A 101 -20.399 21.620 10.634 1.00 0.00 C ATOM 1539 C LEU A 101 -20.420 20.380 9.747 1.00 0.00 C ATOM 1540 O LEU A 101 -20.666 19.274 10.221 1.00 0.00 O ATOM 1541 CB LEU A 101 -21.728 22.363 10.526 1.00 0.00 C ATOM 1542 CG LEU A 101 -22.098 22.850 9.127 1.00 0.00 C ATOM 1543 CD1 LEU A 101 -22.974 21.827 8.421 1.00 0.00 C ATOM 1544 CD2 LEU A 101 -22.796 24.200 9.196 1.00 0.00 C ATOM 0 H LEU A 101 -19.517 23.505 10.358 1.00 0.00 H new ATOM 0 HA LEU A 101 -20.247 21.297 11.664 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -22.521 21.707 10.885 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -21.699 23.223 11.195 1.00 0.00 H new ATOM 0 HG LEU A 101 -21.180 22.971 8.551 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -23.228 22.191 7.425 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -22.435 20.883 8.336 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -23.888 21.673 8.995 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -23.051 24.529 8.189 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -23.706 24.109 9.790 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -22.132 24.930 9.659 1.00 0.00 H new ATOM 1556 N ASP A 102 -20.138 20.569 8.464 1.00 0.00 N ATOM 1557 CA ASP A 102 -20.098 19.456 7.518 1.00 0.00 C ATOM 1558 C ASP A 102 -19.213 18.337 8.060 1.00 0.00 C ATOM 1559 O ASP A 102 -19.657 17.203 8.218 1.00 0.00 O ATOM 1560 CB ASP A 102 -19.558 19.918 6.160 1.00 0.00 C ATOM 1561 CG ASP A 102 -20.462 20.922 5.470 1.00 0.00 C ATOM 1562 OD1 ASP A 102 -21.553 21.205 6.002 1.00 0.00 O ATOM 1563 OD2 ASP A 102 -20.079 21.418 4.389 1.00 0.00 O ATOM 0 H ASP A 102 -19.934 21.480 8.053 1.00 0.00 H new ATOM 0 HA ASP A 102 -21.115 19.085 7.387 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -18.572 20.362 6.300 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -19.428 19.050 5.513 1.00 0.00 H new ATOM 1568 N GLU A 103 -17.958 18.675 8.349 1.00 0.00 N ATOM 1569 CA GLU A 103 -16.995 17.712 8.880 1.00 0.00 C ATOM 1570 C GLU A 103 -17.417 17.194 10.254 1.00 0.00 C ATOM 1571 O GLU A 103 -17.137 16.047 10.602 1.00 0.00 O ATOM 1572 CB GLU A 103 -15.609 18.349 8.971 1.00 0.00 C ATOM 1573 CG GLU A 103 -15.006 18.713 7.622 1.00 0.00 C ATOM 1574 CD GLU A 103 -13.606 19.285 7.746 1.00 0.00 C ATOM 1575 OE1 GLU A 103 -12.720 18.577 8.267 1.00 0.00 O ATOM 1576 OE2 GLU A 103 -13.394 20.442 7.322 1.00 0.00 O ATOM 0 H GLU A 103 -17.582 19.615 8.223 1.00 0.00 H new ATOM 0 HA GLU A 103 -16.963 16.865 8.195 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -15.673 19.248 9.583 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -14.937 17.661 9.484 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -14.978 17.826 6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -15.649 19.439 7.124 1.00 0.00 H new ATOM 1583 N ILE A 104 -18.086 18.040 11.034 1.00 0.00 N ATOM 1584 CA ILE A 104 -18.533 17.651 12.369 1.00 0.00 C ATOM 1585 C ILE A 104 -19.666 16.631 12.296 1.00 0.00 C ATOM 1586 O ILE A 104 -19.509 15.479 12.701 1.00 0.00 O ATOM 1587 CB ILE A 104 -19.026 18.872 13.171 1.00 0.00 C ATOM 1588 CG1 ILE A 104 -17.899 19.885 13.366 1.00 0.00 C ATOM 1589 CG2 ILE A 104 -19.582 18.433 14.519 1.00 0.00 C ATOM 1590 CD1 ILE A 104 -18.371 21.218 13.904 1.00 0.00 C ATOM 0 H ILE A 104 -18.329 18.994 10.767 1.00 0.00 H new ATOM 0 HA ILE A 104 -17.673 17.208 12.871 1.00 0.00 H new ATOM 0 HB ILE A 104 -19.823 19.352 12.604 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -17.160 19.467 14.050 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -17.396 20.045 12.412 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -19.926 19.307 15.073 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -20.417 17.750 14.363 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -18.801 17.927 15.087 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -17.518 21.887 14.017 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -19.087 21.657 13.210 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -18.848 21.071 14.873 1.00 0.00 H new ATOM 1602 N GLN A 105 -20.807 17.071 11.777 1.00 0.00 N ATOM 1603 CA GLN A 105 -21.979 16.216 11.648 1.00 0.00 C ATOM 1604 C GLN A 105 -21.663 14.962 10.842 1.00 0.00 C ATOM 1605 O GLN A 105 -22.183 13.885 11.131 1.00 0.00 O ATOM 1606 CB GLN A 105 -23.124 16.989 10.992 1.00 0.00 C ATOM 1607 CG GLN A 105 -23.560 18.214 11.782 1.00 0.00 C ATOM 1608 CD GLN A 105 -24.778 18.893 11.185 1.00 0.00 C ATOM 1609 OE1 GLN A 105 -25.775 19.170 12.021 1.00 0.00 O flip ATOM 1610 NE2 GLN A 105 -24.816 19.182 9.989 1.00 0.00 N flip ATOM 0 H GLN A 105 -20.944 18.023 11.437 1.00 0.00 H new ATOM 0 HA GLN A 105 -22.282 15.906 12.648 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -22.816 17.301 9.994 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -23.978 16.323 10.869 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -23.780 17.920 12.808 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -22.736 18.926 11.824 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -24.029 18.951 9.383 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -25.635 19.653 9.604 1.00 0.00 H new ATOM 1619 N GLN A 106 -20.804 15.103 9.834 1.00 0.00 N ATOM 1620 CA GLN A 106 -20.424 13.969 8.999 1.00 0.00 C ATOM 1621 C GLN A 106 -19.870 12.838 9.854 1.00 0.00 C ATOM 1622 O GLN A 106 -20.164 11.666 9.616 1.00 0.00 O ATOM 1623 CB GLN A 106 -19.390 14.384 7.951 1.00 0.00 C ATOM 1624 CG GLN A 106 -18.868 13.225 7.116 1.00 0.00 C ATOM 1625 CD GLN A 106 -19.958 12.535 6.316 1.00 0.00 C ATOM 1626 OE1 GLN A 106 -20.912 11.995 6.876 1.00 0.00 O ATOM 1627 NE2 GLN A 106 -19.820 12.548 4.994 1.00 0.00 N ATOM 0 H GLN A 106 -20.361 15.986 9.578 1.00 0.00 H new ATOM 0 HA GLN A 106 -21.318 13.618 8.484 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -19.835 15.126 7.288 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -18.551 14.866 8.452 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -18.101 13.592 6.434 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -18.390 12.497 7.772 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -19.014 13.007 4.570 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -20.520 12.099 4.404 1.00 0.00 H new ATOM 1636 N ALA A 107 -19.073 13.197 10.858 1.00 0.00 N ATOM 1637 CA ALA A 107 -18.491 12.208 11.753 1.00 0.00 C ATOM 1638 C ALA A 107 -19.588 11.385 12.413 1.00 0.00 C ATOM 1639 O ALA A 107 -19.692 10.179 12.189 1.00 0.00 O ATOM 1640 CB ALA A 107 -17.626 12.886 12.805 1.00 0.00 C ATOM 0 H ALA A 107 -18.818 14.162 11.069 1.00 0.00 H new ATOM 0 HA ALA A 107 -17.859 11.539 11.169 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -17.199 12.132 13.466 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -16.823 13.437 12.316 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -18.236 13.576 13.388 1.00 0.00 H new ATOM 1646 N CYS A 108 -20.398 12.049 13.235 1.00 0.00 N ATOM 1647 CA CYS A 108 -21.492 11.392 13.945 1.00 0.00 C ATOM 1648 C CYS A 108 -22.547 10.857 12.977 1.00 0.00 C ATOM 1649 O CYS A 108 -23.621 11.442 12.827 1.00 0.00 O ATOM 1650 CB CYS A 108 -22.136 12.377 14.923 1.00 0.00 C ATOM 1651 SG CYS A 108 -20.998 13.035 16.164 1.00 0.00 S ATOM 0 H CYS A 108 -20.316 13.048 13.426 1.00 0.00 H new ATOM 0 HA CYS A 108 -21.079 10.545 14.492 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -22.561 13.207 14.359 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -22.963 11.880 15.431 1.00 0.00 H new ATOM 0 HG CYS A 108 -21.185 12.420 17.294 1.00 0.00 H new ATOM 1657 N LYS A 109 -22.237 9.739 12.325 1.00 0.00 N ATOM 1658 CA LYS A 109 -23.157 9.121 11.375 1.00 0.00 C ATOM 1659 C LYS A 109 -24.086 8.141 12.087 1.00 0.00 C ATOM 1660 O LYS A 109 -25.290 8.113 11.830 1.00 0.00 O ATOM 1661 CB LYS A 109 -22.371 8.411 10.265 1.00 0.00 C ATOM 1662 CG LYS A 109 -23.235 7.868 9.132 1.00 0.00 C ATOM 1663 CD LYS A 109 -23.914 6.559 9.506 1.00 0.00 C ATOM 1664 CE LYS A 109 -24.831 6.072 8.398 1.00 0.00 C ATOM 1665 NZ LYS A 109 -24.096 5.864 7.119 1.00 0.00 N ATOM 0 H LYS A 109 -21.353 9.242 12.438 1.00 0.00 H new ATOM 0 HA LYS A 109 -23.769 9.902 10.924 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -21.643 9.108 9.849 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -21.809 7.587 10.704 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -23.992 8.606 8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -22.617 7.715 8.247 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -23.158 5.802 9.713 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -24.489 6.695 10.422 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -25.303 5.137 8.702 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -25.630 6.797 8.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -24.701 5.345 6.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -23.842 6.786 6.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -23.231 5.316 7.301 1.00 0.00 H new ATOM 1679 N ASP A 110 -23.516 7.336 12.979 1.00 0.00 N ATOM 1680 CA ASP A 110 -24.286 6.351 13.728 1.00 0.00 C ATOM 1681 C ASP A 110 -25.151 7.031 14.782 1.00 0.00 C ATOM 1682 O ASP A 110 -25.943 6.381 15.466 1.00 0.00 O ATOM 1683 CB ASP A 110 -23.353 5.337 14.396 1.00 0.00 C ATOM 1684 CG ASP A 110 -22.518 4.565 13.392 1.00 0.00 C ATOM 1685 OD1 ASP A 110 -22.673 4.806 12.176 1.00 0.00 O ATOM 1686 OD2 ASP A 110 -21.709 3.714 13.823 1.00 0.00 O ATOM 0 H ASP A 110 -22.520 7.348 13.200 1.00 0.00 H new ATOM 0 HA ASP A 110 -24.936 5.826 13.028 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -22.692 5.858 15.089 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -23.945 4.637 14.986 1.00 0.00 H new ATOM 1691 N PHE A 111 -24.991 8.342 14.905 1.00 0.00 N ATOM 1692 CA PHE A 111 -25.754 9.116 15.875 1.00 0.00 C ATOM 1693 C PHE A 111 -27.137 9.448 15.333 1.00 0.00 C ATOM 1694 O PHE A 111 -27.937 10.092 16.009 1.00 0.00 O ATOM 1695 CB PHE A 111 -25.025 10.420 16.225 1.00 0.00 C ATOM 1696 CG PHE A 111 -23.725 10.239 16.972 1.00 0.00 C ATOM 1697 CD1 PHE A 111 -22.812 9.259 16.607 1.00 0.00 C ATOM 1698 CD2 PHE A 111 -23.416 11.068 18.039 1.00 0.00 C ATOM 1699 CE1 PHE A 111 -21.621 9.110 17.295 1.00 0.00 C ATOM 1700 CE2 PHE A 111 -22.228 10.922 18.730 1.00 0.00 C ATOM 1701 CZ PHE A 111 -21.329 9.942 18.357 1.00 0.00 C ATOM 0 H PHE A 111 -24.339 8.892 14.345 1.00 0.00 H new ATOM 0 HA PHE A 111 -25.856 8.508 16.774 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -24.825 10.966 15.303 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -25.689 11.041 16.826 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -23.034 8.605 15.776 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -24.113 11.838 18.334 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -20.920 8.343 17.001 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -22.003 11.574 19.561 1.00 0.00 H new ATOM 0 HZ PHE A 111 -20.400 9.827 18.895 1.00 0.00 H new ATOM 1711 N GLY A 112 -27.409 9.019 14.103 1.00 0.00 N ATOM 1712 CA GLY A 112 -28.697 9.307 13.508 1.00 0.00 C ATOM 1713 C GLY A 112 -28.895 10.798 13.365 1.00 0.00 C ATOM 1714 O GLY A 112 -29.992 11.311 13.593 1.00 0.00 O ATOM 0 H GLY A 112 -26.768 8.484 13.517 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -28.767 8.830 12.530 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -29.491 8.887 14.125 1.00 0.00 H new ATOM 1718 N LEU A 113 -27.805 11.493 13.035 1.00 0.00 N ATOM 1719 CA LEU A 113 -27.809 12.947 12.903 1.00 0.00 C ATOM 1720 C LEU A 113 -29.124 13.488 12.364 1.00 0.00 C ATOM 1721 O LEU A 113 -29.783 12.870 11.528 1.00 0.00 O ATOM 1722 CB LEU A 113 -26.634 13.423 12.038 1.00 0.00 C ATOM 1723 CG LEU A 113 -26.470 12.760 10.662 1.00 0.00 C ATOM 1724 CD1 LEU A 113 -27.622 13.110 9.732 1.00 0.00 C ATOM 1725 CD2 LEU A 113 -25.151 13.186 10.039 1.00 0.00 C ATOM 0 H LEU A 113 -26.898 11.063 12.853 1.00 0.00 H new ATOM 0 HA LEU A 113 -27.692 13.348 13.910 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -26.738 14.497 11.887 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -25.714 13.268 12.601 1.00 0.00 H new ATOM 0 HG LEU A 113 -26.475 11.680 10.806 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -27.472 12.624 8.768 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -28.560 12.767 10.169 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -27.661 14.190 9.591 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -25.040 12.713 9.063 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -25.138 14.269 9.921 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -24.328 12.882 10.686 1.00 0.00 H new ATOM 1737 N ASP A 114 -29.495 14.655 12.868 1.00 0.00 N ATOM 1738 CA ASP A 114 -30.727 15.309 12.460 1.00 0.00 C ATOM 1739 C ASP A 114 -30.689 16.799 12.787 1.00 0.00 C ATOM 1740 O ASP A 114 -29.623 17.362 13.032 1.00 0.00 O ATOM 1741 CB ASP A 114 -31.931 14.640 13.131 1.00 0.00 C ATOM 1742 CG ASP A 114 -31.815 14.617 14.642 1.00 0.00 C ATOM 1743 OD1 ASP A 114 -30.834 14.040 15.154 1.00 0.00 O ATOM 1744 OD2 ASP A 114 -32.709 15.172 15.313 1.00 0.00 O ATOM 0 H ASP A 114 -28.956 15.170 13.564 1.00 0.00 H new ATOM 0 HA ASP A 114 -30.828 15.205 11.380 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -32.841 15.169 12.848 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -32.028 13.619 12.762 1.00 0.00 H new ATOM 1749 N ASP A 115 -31.855 17.433 12.768 1.00 0.00 N ATOM 1750 CA ASP A 115 -31.958 18.861 13.040 1.00 0.00 C ATOM 1751 C ASP A 115 -32.115 19.153 14.533 1.00 0.00 C ATOM 1752 O ASP A 115 -32.096 20.313 14.945 1.00 0.00 O ATOM 1753 CB ASP A 115 -33.131 19.462 12.264 1.00 0.00 C ATOM 1754 CG ASP A 115 -34.454 18.805 12.607 1.00 0.00 C ATOM 1755 OD1 ASP A 115 -34.864 18.873 13.785 1.00 0.00 O ATOM 1756 OD2 ASP A 115 -35.079 18.221 11.698 1.00 0.00 O ATOM 0 H ASP A 115 -32.746 16.979 12.566 1.00 0.00 H new ATOM 0 HA ASP A 115 -31.027 19.323 12.711 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -33.194 20.529 12.476 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -32.945 19.360 11.195 1.00 0.00 H new ATOM 1761 N ILE A 116 -32.299 18.109 15.336 1.00 0.00 N ATOM 1762 CA ILE A 116 -32.492 18.289 16.773 1.00 0.00 C ATOM 1763 C ILE A 116 -31.178 18.284 17.563 1.00 0.00 C ATOM 1764 O ILE A 116 -30.829 19.281 18.194 1.00 0.00 O ATOM 1765 CB ILE A 116 -33.419 17.199 17.350 1.00 0.00 C ATOM 1766 CG1 ILE A 116 -34.774 17.211 16.633 1.00 0.00 C ATOM 1767 CG2 ILE A 116 -33.604 17.393 18.849 1.00 0.00 C ATOM 1768 CD1 ILE A 116 -35.538 18.514 16.789 1.00 0.00 C ATOM 0 H ILE A 116 -32.319 17.139 15.021 1.00 0.00 H new ATOM 0 HA ILE A 116 -32.950 19.272 16.884 1.00 0.00 H new ATOM 0 HB ILE A 116 -32.952 16.228 17.185 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -34.615 17.019 15.572 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -35.385 16.394 17.017 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -34.261 16.615 19.238 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -32.636 17.333 19.346 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -34.048 18.370 19.037 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -36.486 18.446 16.255 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -35.730 18.699 17.846 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -34.948 19.333 16.379 1.00 0.00 H new ATOM 1780 N HIS A 117 -30.477 17.152 17.568 1.00 0.00 N ATOM 1781 CA HIS A 117 -29.235 17.033 18.337 1.00 0.00 C ATOM 1782 C HIS A 117 -27.985 17.383 17.531 1.00 0.00 C ATOM 1783 O HIS A 117 -27.316 18.376 17.814 1.00 0.00 O ATOM 1784 CB HIS A 117 -29.107 15.615 18.897 1.00 0.00 C ATOM 1785 CG HIS A 117 -28.027 15.460 19.927 1.00 0.00 C ATOM 1786 ND1 HIS A 117 -27.700 14.246 20.495 1.00 0.00 N ATOM 1787 CD2 HIS A 117 -27.206 16.373 20.502 1.00 0.00 C ATOM 1788 CE1 HIS A 117 -26.728 14.419 21.373 1.00 0.00 C ATOM 1789 NE2 HIS A 117 -26.410 15.700 21.396 1.00 0.00 N ATOM 0 H HIS A 117 -30.742 16.311 17.055 1.00 0.00 H new ATOM 0 HA HIS A 117 -29.299 17.760 19.146 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -30.060 15.322 19.338 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -28.912 14.927 18.074 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -27.182 17.433 20.295 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -26.271 13.644 21.970 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -25.690 16.122 21.983 1.00 0.00 H new ATOM 1798 N ILE A 118 -27.653 16.545 16.555 1.00 0.00 N ATOM 1799 CA ILE A 118 -26.456 16.750 15.741 1.00 0.00 C ATOM 1800 C ILE A 118 -26.458 18.116 15.056 1.00 0.00 C ATOM 1801 O ILE A 118 -25.406 18.627 14.673 1.00 0.00 O ATOM 1802 CB ILE A 118 -26.280 15.628 14.686 1.00 0.00 C ATOM 1803 CG1 ILE A 118 -25.931 14.294 15.363 1.00 0.00 C ATOM 1804 CG2 ILE A 118 -25.202 15.992 13.677 1.00 0.00 C ATOM 1805 CD1 ILE A 118 -27.049 13.699 16.193 1.00 0.00 C ATOM 0 H ILE A 118 -28.194 15.717 16.307 1.00 0.00 H new ATOM 0 HA ILE A 118 -25.609 16.714 16.427 1.00 0.00 H new ATOM 0 HB ILE A 118 -27.228 15.519 14.159 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -25.644 13.576 14.595 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -25.061 14.442 16.002 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -25.099 15.188 12.948 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -25.480 16.913 13.164 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -24.253 16.137 14.194 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -26.715 12.759 16.633 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -27.323 14.394 16.986 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -27.915 13.514 15.558 1.00 0.00 H new ATOM 1817 N ASP A 119 -27.632 18.719 14.930 1.00 0.00 N ATOM 1818 CA ASP A 119 -27.742 20.039 14.310 1.00 0.00 C ATOM 1819 C ASP A 119 -27.352 21.109 15.313 1.00 0.00 C ATOM 1820 O ASP A 119 -26.398 21.855 15.101 1.00 0.00 O ATOM 1821 CB ASP A 119 -29.156 20.301 13.810 1.00 0.00 C ATOM 1822 CG ASP A 119 -29.258 21.596 13.027 1.00 0.00 C ATOM 1823 OD1 ASP A 119 -28.565 21.723 11.995 1.00 0.00 O ATOM 1824 OD2 ASP A 119 -30.031 22.483 13.446 1.00 0.00 O ATOM 0 H ASP A 119 -28.517 18.322 15.245 1.00 0.00 H new ATOM 0 HA ASP A 119 -27.067 20.068 13.454 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -29.476 19.471 13.179 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -29.839 20.337 14.659 1.00 0.00 H new ATOM 1829 N ASP A 120 -28.076 21.152 16.430 1.00 0.00 N ATOM 1830 CA ASP A 120 -27.769 22.100 17.489 1.00 0.00 C ATOM 1831 C ASP A 120 -26.348 21.841 17.957 1.00 0.00 C ATOM 1832 O ASP A 120 -25.719 22.679 18.594 1.00 0.00 O ATOM 1833 CB ASP A 120 -28.755 21.956 18.650 1.00 0.00 C ATOM 1834 CG ASP A 120 -30.172 22.331 18.257 1.00 0.00 C ATOM 1835 OD1 ASP A 120 -30.706 21.722 17.307 1.00 0.00 O ATOM 1836 OD2 ASP A 120 -30.746 23.235 18.900 1.00 0.00 O ATOM 0 H ASP A 120 -28.873 20.544 16.621 1.00 0.00 H new ATOM 0 HA ASP A 120 -27.858 23.119 17.112 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -28.741 20.927 19.009 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -28.432 22.587 19.478 1.00 0.00 H new ATOM 1841 N MET A 121 -25.863 20.654 17.598 1.00 0.00 N ATOM 1842 CA MET A 121 -24.522 20.203 17.915 1.00 0.00 C ATOM 1843 C MET A 121 -23.510 21.163 17.305 1.00 0.00 C ATOM 1844 O MET A 121 -22.512 21.523 17.928 1.00 0.00 O ATOM 1845 CB MET A 121 -24.328 18.796 17.362 1.00 0.00 C ATOM 1846 CG MET A 121 -23.230 18.028 18.049 1.00 0.00 C ATOM 1847 SD MET A 121 -22.861 16.457 17.240 1.00 0.00 S ATOM 1848 CE MET A 121 -22.413 17.014 15.599 1.00 0.00 C ATOM 0 H MET A 121 -26.406 19.971 17.069 1.00 0.00 H new ATOM 0 HA MET A 121 -24.376 20.183 18.995 1.00 0.00 H new ATOM 0 HB2 MET A 121 -25.263 18.244 17.459 1.00 0.00 H new ATOM 0 HB3 MET A 121 -24.105 18.860 16.297 1.00 0.00 H new ATOM 0 HG2 MET A 121 -22.327 18.639 18.075 1.00 0.00 H new ATOM 0 HG3 MET A 121 -23.517 17.840 19.083 1.00 0.00 H new ATOM 0 HE1 MET A 121 -21.878 16.219 15.078 1.00 0.00 H new ATOM 0 HE2 MET A 121 -23.315 17.269 15.043 1.00 0.00 H new ATOM 0 HE3 MET A 121 -21.773 17.893 15.675 1.00 0.00 H new ATOM 1858 N ILE A 122 -23.821 21.606 16.092 1.00 0.00 N ATOM 1859 CA ILE A 122 -23.005 22.577 15.374 1.00 0.00 C ATOM 1860 C ILE A 122 -22.832 23.784 16.255 1.00 0.00 C ATOM 1861 O ILE A 122 -21.736 24.316 16.418 1.00 0.00 O ATOM 1862 CB ILE A 122 -23.730 23.010 14.092 1.00 0.00 C ATOM 1863 CG1 ILE A 122 -24.085 21.788 13.262 1.00 0.00 C ATOM 1864 CG2 ILE A 122 -22.895 23.988 13.290 1.00 0.00 C ATOM 1865 CD1 ILE A 122 -24.885 22.106 12.015 1.00 0.00 C ATOM 0 H ILE A 122 -24.648 21.301 15.578 1.00 0.00 H new ATOM 0 HA ILE A 122 -22.041 22.137 15.118 1.00 0.00 H new ATOM 0 HB ILE A 122 -24.650 23.524 14.372 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -23.166 21.278 12.973 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -24.654 21.094 13.880 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -23.437 24.275 12.389 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -22.696 24.875 13.891 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -21.951 23.518 13.012 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -25.100 21.184 11.475 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -25.821 22.588 12.296 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -24.310 22.775 11.375 1.00 0.00 H new ATOM 1877 N LYS A 123 -23.946 24.181 16.837 1.00 0.00 N ATOM 1878 CA LYS A 123 -23.981 25.305 17.738 1.00 0.00 C ATOM 1879 C LYS A 123 -23.587 24.859 19.144 1.00 0.00 C ATOM 1880 O LYS A 123 -23.314 25.680 20.020 1.00 0.00 O ATOM 1881 CB LYS A 123 -25.381 25.914 17.751 1.00 0.00 C ATOM 1882 CG LYS A 123 -25.786 26.597 16.449 1.00 0.00 C ATOM 1883 CD LYS A 123 -24.896 27.789 16.121 1.00 0.00 C ATOM 1884 CE LYS A 123 -23.695 27.384 15.277 1.00 0.00 C ATOM 1885 NZ LYS A 123 -24.107 26.853 13.948 1.00 0.00 N ATOM 0 H LYS A 123 -24.850 23.730 16.696 1.00 0.00 H new ATOM 0 HA LYS A 123 -23.271 26.059 17.398 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -26.103 25.129 17.974 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -25.440 26.641 18.561 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -25.739 25.876 15.633 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -26.822 26.929 16.522 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -25.478 28.541 15.588 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -24.551 28.250 17.046 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -23.042 28.245 15.138 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -23.117 26.628 15.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -23.326 26.968 13.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -24.343 25.844 14.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -24.940 27.375 13.608 1.00 0.00 H new ATOM 1899 N GLU A 124 -23.570 23.542 19.345 1.00 0.00 N ATOM 1900 CA GLU A 124 -23.223 22.956 20.635 1.00 0.00 C ATOM 1901 C GLU A 124 -21.716 22.964 20.847 1.00 0.00 C ATOM 1902 O GLU A 124 -21.234 23.005 21.978 1.00 0.00 O ATOM 1903 CB GLU A 124 -23.743 21.523 20.736 1.00 0.00 C ATOM 1904 CG GLU A 124 -23.354 20.821 22.027 1.00 0.00 C ATOM 1905 CD GLU A 124 -23.985 21.457 23.251 1.00 0.00 C ATOM 1906 OE1 GLU A 124 -25.231 21.491 23.326 1.00 0.00 O ATOM 1907 OE2 GLU A 124 -23.233 21.920 24.135 1.00 0.00 O ATOM 0 H GLU A 124 -23.795 22.857 18.623 1.00 0.00 H new ATOM 0 HA GLU A 124 -23.693 23.562 21.410 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -24.830 21.534 20.652 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -23.363 20.948 19.891 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -23.653 19.774 21.971 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -22.269 20.837 22.132 1.00 0.00 H new ATOM 1914 N ILE A 125 -20.981 22.921 19.745 1.00 0.00 N ATOM 1915 CA ILE A 125 -19.533 22.919 19.790 1.00 0.00 C ATOM 1916 C ILE A 125 -19.001 24.249 19.290 1.00 0.00 C ATOM 1917 O ILE A 125 -17.810 24.530 19.367 1.00 0.00 O ATOM 1918 CB ILE A 125 -18.963 21.791 18.931 1.00 0.00 C ATOM 1919 CG1 ILE A 125 -19.705 20.483 19.213 1.00 0.00 C ATOM 1920 CG2 ILE A 125 -17.484 21.640 19.228 1.00 0.00 C ATOM 1921 CD1 ILE A 125 -19.317 19.352 18.286 1.00 0.00 C ATOM 0 H ILE A 125 -21.371 22.887 18.803 1.00 0.00 H new ATOM 0 HA ILE A 125 -19.224 22.762 20.823 1.00 0.00 H new ATOM 0 HB ILE A 125 -19.095 22.033 17.876 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -19.511 20.180 20.242 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -20.777 20.658 19.129 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -17.071 20.837 18.618 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -16.969 22.573 18.997 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -17.347 21.402 20.283 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -19.883 18.458 18.546 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -19.537 19.634 17.256 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -18.251 19.148 18.387 1.00 0.00 H new ATOM 1933 N ASP A 126 -19.907 25.062 18.771 1.00 0.00 N ATOM 1934 CA ASP A 126 -19.556 26.368 18.250 1.00 0.00 C ATOM 1935 C ASP A 126 -19.258 27.340 19.371 1.00 0.00 C ATOM 1936 O ASP A 126 -20.111 28.141 19.756 1.00 0.00 O ATOM 1937 CB ASP A 126 -20.695 26.902 17.406 1.00 0.00 C ATOM 1938 CG ASP A 126 -20.375 28.256 16.811 1.00 0.00 C ATOM 1939 OD1 ASP A 126 -19.294 28.392 16.205 1.00 0.00 O ATOM 1940 OD2 ASP A 126 -21.203 29.179 16.955 1.00 0.00 O ATOM 0 H ASP A 126 -20.899 24.835 18.700 1.00 0.00 H new ATOM 0 HA ASP A 126 -18.659 26.263 17.639 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -20.914 26.197 16.604 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -21.594 26.978 18.017 1.00 0.00 H new ATOM 1945 N GLN A 127 -18.048 27.272 19.895 1.00 0.00 N ATOM 1946 CA GLN A 127 -17.658 28.158 20.969 1.00 0.00 C ATOM 1947 C GLN A 127 -17.101 29.466 20.424 1.00 0.00 C ATOM 1948 O GLN A 127 -16.852 30.395 21.192 1.00 0.00 O ATOM 1949 CB GLN A 127 -16.624 27.504 21.894 1.00 0.00 C ATOM 1950 CG GLN A 127 -16.460 26.002 21.706 1.00 0.00 C ATOM 1951 CD GLN A 127 -15.612 25.647 20.499 1.00 0.00 C ATOM 1952 OE1 GLN A 127 -15.186 26.656 19.746 1.00 0.00 O flip ATOM 1953 NE2 GLN A 127 -15.346 24.472 20.245 1.00 0.00 N flip ATOM 0 H GLN A 127 -17.326 26.617 19.595 1.00 0.00 H new ATOM 0 HA GLN A 127 -18.556 28.368 21.549 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -15.659 27.984 21.733 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -16.908 27.698 22.928 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -16.006 25.576 22.601 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -17.444 25.545 21.600 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -15.694 23.728 20.850 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -14.778 24.242 19.430 1.00 0.00 H new ATOM 1962 N ASP A 128 -16.868 29.547 19.106 1.00 0.00 N ATOM 1963 CA ASP A 128 -16.296 30.775 18.558 1.00 0.00 C ATOM 1964 C ASP A 128 -17.166 31.488 17.508 1.00 0.00 C ATOM 1965 O ASP A 128 -17.151 32.720 17.472 1.00 0.00 O ATOM 1966 CB ASP A 128 -14.948 30.450 17.909 1.00 0.00 C ATOM 1967 CG ASP A 128 -14.008 29.698 18.831 1.00 0.00 C ATOM 1968 OD1 ASP A 128 -14.374 29.466 20.000 1.00 0.00 O ATOM 1969 OD2 ASP A 128 -12.898 29.342 18.383 1.00 0.00 O ATOM 0 H ASP A 128 -17.058 28.809 18.428 1.00 0.00 H new ATOM 0 HA ASP A 128 -16.208 31.457 19.404 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -15.118 29.856 17.011 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -14.471 31.378 17.592 1.00 0.00 H new ATOM 1974 N ASN A 129 -17.925 30.764 16.659 1.00 0.00 N ATOM 1975 CA ASN A 129 -18.744 31.486 15.662 1.00 0.00 C ATOM 1976 C ASN A 129 -19.608 30.660 14.682 1.00 0.00 C ATOM 1977 O ASN A 129 -20.834 30.603 14.786 1.00 0.00 O ATOM 1978 CB ASN A 129 -17.839 32.415 14.838 1.00 0.00 C ATOM 1979 CG ASN A 129 -16.633 31.696 14.257 1.00 0.00 C ATOM 1980 OD1 ASN A 129 -15.788 31.182 14.990 1.00 0.00 O ATOM 1981 ND2 ASN A 129 -16.554 31.648 12.931 1.00 0.00 N ATOM 0 H ASN A 129 -17.989 29.746 16.638 1.00 0.00 H new ATOM 0 HA ASN A 129 -19.473 32.008 16.281 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -18.419 32.855 14.027 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -17.498 33.236 15.469 1.00 0.00 H new ATOM 0 HD21 ASN A 129 -15.771 31.172 12.484 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -17.277 32.088 12.361 1.00 0.00 H new ATOM 1988 N ASP A 130 -18.926 30.175 13.644 1.00 0.00 N ATOM 1989 CA ASP A 130 -19.515 29.501 12.477 1.00 0.00 C ATOM 1990 C ASP A 130 -20.241 28.166 12.683 1.00 0.00 C ATOM 1991 O ASP A 130 -20.958 27.738 11.779 1.00 0.00 O ATOM 1992 CB ASP A 130 -18.370 29.280 11.479 1.00 0.00 C ATOM 1993 CG ASP A 130 -18.775 28.492 10.250 1.00 0.00 C ATOM 1994 OD1 ASP A 130 -18.983 27.266 10.366 1.00 0.00 O ATOM 1995 OD2 ASP A 130 -18.886 29.102 9.167 1.00 0.00 O ATOM 0 H ASP A 130 -17.910 30.241 13.587 1.00 0.00 H new ATOM 0 HA ASP A 130 -20.316 30.163 12.147 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -17.981 30.249 11.166 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -17.557 28.757 11.983 1.00 0.00 H new ATOM 2000 N GLY A 131 -20.047 27.466 13.780 1.00 0.00 N ATOM 2001 CA GLY A 131 -20.689 26.175 13.880 1.00 0.00 C ATOM 2002 C GLY A 131 -19.721 25.151 13.364 1.00 0.00 C ATOM 2003 O GLY A 131 -20.066 24.201 12.650 1.00 0.00 O ATOM 0 H GLY A 131 -19.479 27.750 14.578 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -20.960 25.960 14.914 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -21.611 26.159 13.299 1.00 0.00 H new ATOM 2007 N GLN A 132 -18.474 25.420 13.690 1.00 0.00 N ATOM 2008 CA GLN A 132 -17.365 24.636 13.276 1.00 0.00 C ATOM 2009 C GLN A 132 -16.402 24.501 14.430 1.00 0.00 C ATOM 2010 O GLN A 132 -16.513 25.223 15.418 1.00 0.00 O ATOM 2011 CB GLN A 132 -16.663 25.339 12.139 1.00 0.00 C ATOM 2012 CG GLN A 132 -16.123 26.699 12.530 1.00 0.00 C ATOM 2013 CD GLN A 132 -14.833 27.039 11.820 1.00 0.00 C ATOM 2014 OE1 GLN A 132 -14.828 27.381 10.638 1.00 0.00 O ATOM 2015 NE2 GLN A 132 -13.724 26.909 12.540 1.00 0.00 N ATOM 0 H GLN A 132 -18.213 26.218 14.269 1.00 0.00 H new ATOM 0 HA GLN A 132 -17.706 23.652 12.955 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -15.842 24.716 11.785 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -17.357 25.455 11.306 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -16.869 27.461 12.304 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -15.958 26.724 13.607 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -13.781 26.623 13.517 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -12.816 27.096 12.115 1.00 0.00 H new ATOM 2024 N ILE A 133 -15.463 23.590 14.310 1.00 0.00 N ATOM 2025 CA ILE A 133 -14.498 23.381 15.340 1.00 0.00 C ATOM 2026 C ILE A 133 -13.099 23.540 14.803 1.00 0.00 C ATOM 2027 O ILE A 133 -12.708 22.895 13.839 1.00 0.00 O ATOM 2028 CB ILE A 133 -14.632 21.989 15.923 1.00 0.00 C ATOM 2029 CG1 ILE A 133 -16.071 21.726 16.325 1.00 0.00 C ATOM 2030 CG2 ILE A 133 -13.712 21.835 17.111 1.00 0.00 C ATOM 2031 CD1 ILE A 133 -16.285 20.304 16.752 1.00 0.00 C ATOM 0 H ILE A 133 -15.355 22.982 13.498 1.00 0.00 H new ATOM 0 HA ILE A 133 -14.681 24.126 16.115 1.00 0.00 H new ATOM 0 HB ILE A 133 -14.347 21.258 15.166 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -16.348 22.395 17.140 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -16.729 21.956 15.487 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -13.815 20.831 17.523 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -12.681 21.993 16.796 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -13.975 22.569 17.873 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -17.329 20.161 17.031 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -16.035 19.635 15.929 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -15.647 20.081 17.607 1.00 0.00 H new ATOM 2043 N ASP A 134 -12.339 24.356 15.475 1.00 0.00 N ATOM 2044 CA ASP A 134 -10.952 24.571 15.115 1.00 0.00 C ATOM 2045 C ASP A 134 -10.080 23.825 16.100 1.00 0.00 C ATOM 2046 O ASP A 134 -10.519 23.505 17.200 1.00 0.00 O ATOM 2047 CB ASP A 134 -10.615 26.067 15.084 1.00 0.00 C ATOM 2048 CG ASP A 134 -9.129 26.369 14.996 1.00 0.00 C ATOM 2049 OD1 ASP A 134 -8.397 26.058 15.954 1.00 0.00 O ATOM 2050 OD2 ASP A 134 -8.700 26.928 13.965 1.00 0.00 O ATOM 0 H ASP A 134 -12.653 24.892 16.284 1.00 0.00 H new ATOM 0 HA ASP A 134 -10.768 24.190 14.110 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -11.118 26.524 14.232 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -11.017 26.537 15.981 1.00 0.00 H new ATOM 2055 N TYR A 135 -8.864 23.531 15.692 1.00 0.00 N ATOM 2056 CA TYR A 135 -7.932 22.798 16.537 1.00 0.00 C ATOM 2057 C TYR A 135 -8.033 23.241 17.987 1.00 0.00 C ATOM 2058 O TYR A 135 -8.110 22.409 18.889 1.00 0.00 O ATOM 2059 CB TYR A 135 -6.518 22.972 16.012 1.00 0.00 C ATOM 2060 CG TYR A 135 -5.429 22.540 16.973 1.00 0.00 C ATOM 2061 CD1 TYR A 135 -5.383 21.240 17.470 1.00 0.00 C ATOM 2062 CD2 TYR A 135 -4.442 23.431 17.377 1.00 0.00 C ATOM 2063 CE1 TYR A 135 -4.388 20.845 18.342 1.00 0.00 C ATOM 2064 CE2 TYR A 135 -3.443 23.041 18.249 1.00 0.00 C ATOM 2065 CZ TYR A 135 -3.421 21.748 18.729 1.00 0.00 C ATOM 2066 OH TYR A 135 -2.427 21.357 19.597 1.00 0.00 O ATOM 0 H TYR A 135 -8.492 23.787 14.777 1.00 0.00 H new ATOM 0 HA TYR A 135 -8.193 21.740 16.504 1.00 0.00 H new ATOM 0 HB2 TYR A 135 -6.415 22.403 15.088 1.00 0.00 H new ATOM 0 HB3 TYR A 135 -6.365 24.021 15.759 1.00 0.00 H new ATOM 0 HD1 TYR A 135 -6.138 20.529 17.168 1.00 0.00 H new ATOM 0 HD2 TYR A 135 -4.456 24.444 17.004 1.00 0.00 H new ATOM 0 HE1 TYR A 135 -4.367 19.833 18.719 1.00 0.00 H new ATOM 0 HE2 TYR A 135 -2.683 23.745 18.553 1.00 0.00 H new ATOM 0 HH TYR A 135 -1.826 22.112 19.767 1.00 0.00 H new ATOM 2076 N GLY A 136 -8.060 24.547 18.206 1.00 0.00 N ATOM 2077 CA GLY A 136 -8.179 25.054 19.529 1.00 0.00 C ATOM 2078 C GLY A 136 -9.535 24.748 20.113 1.00 0.00 C ATOM 2079 O GLY A 136 -9.650 24.333 21.267 1.00 0.00 O ATOM 0 H GLY A 136 -8.000 25.257 17.476 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -7.403 24.619 20.159 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -8.018 26.132 19.524 1.00 0.00 H new ATOM 2083 N GLU A 137 -10.568 24.954 19.298 1.00 0.00 N ATOM 2084 CA GLU A 137 -11.932 24.704 19.715 1.00 0.00 C ATOM 2085 C GLU A 137 -12.077 23.275 20.195 1.00 0.00 C ATOM 2086 O GLU A 137 -12.400 23.040 21.356 1.00 0.00 O ATOM 2087 CB GLU A 137 -12.898 24.963 18.562 1.00 0.00 C ATOM 2088 CG GLU A 137 -12.636 26.264 17.829 1.00 0.00 C ATOM 2089 CD GLU A 137 -13.816 26.713 16.985 1.00 0.00 C ATOM 2090 OE1 GLU A 137 -14.863 26.038 17.024 1.00 0.00 O ATOM 2091 OE2 GLU A 137 -13.694 27.744 16.290 1.00 0.00 O ATOM 0 H GLU A 137 -10.477 25.295 18.341 1.00 0.00 H new ATOM 0 HA GLU A 137 -12.172 25.382 20.534 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -12.834 24.137 17.853 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -13.917 24.973 18.948 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -12.397 27.042 18.554 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -11.762 26.145 17.189 1.00 0.00 H new ATOM 2098 N PHE A 138 -11.841 22.312 19.301 1.00 0.00 N ATOM 2099 CA PHE A 138 -11.962 20.914 19.686 1.00 0.00 C ATOM 2100 C PHE A 138 -11.089 20.605 20.885 1.00 0.00 C ATOM 2101 O PHE A 138 -11.392 19.713 21.677 1.00 0.00 O ATOM 2102 CB PHE A 138 -11.566 19.954 18.566 1.00 0.00 C ATOM 2103 CG PHE A 138 -12.352 18.685 18.663 1.00 0.00 C ATOM 2104 CD1 PHE A 138 -13.744 18.709 18.674 1.00 0.00 C ATOM 2105 CD2 PHE A 138 -11.703 17.474 18.783 1.00 0.00 C ATOM 2106 CE1 PHE A 138 -14.463 17.536 18.800 1.00 0.00 C ATOM 2107 CE2 PHE A 138 -12.417 16.302 18.906 1.00 0.00 C ATOM 2108 CZ PHE A 138 -13.799 16.331 18.915 1.00 0.00 C ATOM 0 H PHE A 138 -11.572 22.473 18.330 1.00 0.00 H new ATOM 0 HA PHE A 138 -13.016 20.767 19.923 1.00 0.00 H new ATOM 0 HB2 PHE A 138 -11.740 20.424 17.598 1.00 0.00 H new ATOM 0 HB3 PHE A 138 -10.500 19.734 18.627 1.00 0.00 H new ATOM 0 HD1 PHE A 138 -14.265 19.651 18.583 1.00 0.00 H new ATOM 0 HD2 PHE A 138 -10.623 17.444 18.781 1.00 0.00 H new ATOM 0 HE1 PHE A 138 -15.543 17.562 18.809 1.00 0.00 H new ATOM 0 HE2 PHE A 138 -11.896 15.360 18.995 1.00 0.00 H new ATOM 0 HZ PHE A 138 -14.359 15.412 19.012 1.00 0.00 H new ATOM 2118 N ALA A 139 -9.986 21.326 20.996 1.00 0.00 N ATOM 2119 CA ALA A 139 -9.050 21.102 22.079 1.00 0.00 C ATOM 2120 C ALA A 139 -9.583 21.659 23.399 1.00 0.00 C ATOM 2121 O ALA A 139 -9.223 21.179 24.472 1.00 0.00 O ATOM 2122 CB ALA A 139 -7.695 21.705 21.725 1.00 0.00 C ATOM 0 H ALA A 139 -9.719 22.069 20.350 1.00 0.00 H new ATOM 0 HA ALA A 139 -8.925 20.028 22.215 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -6.995 21.533 22.543 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -7.314 21.236 20.818 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -7.805 22.777 21.561 1.00 0.00 H new ATOM 2128 N ALA A 140 -10.444 22.668 23.310 1.00 0.00 N ATOM 2129 CA ALA A 140 -11.036 23.289 24.494 1.00 0.00 C ATOM 2130 C ALA A 140 -12.339 22.603 24.905 1.00 0.00 C ATOM 2131 O ALA A 140 -12.520 22.239 26.067 1.00 0.00 O ATOM 2132 CB ALA A 140 -11.279 24.768 24.242 1.00 0.00 C ATOM 0 H ALA A 140 -10.750 23.076 22.426 1.00 0.00 H new ATOM 0 HA ALA A 140 -10.330 23.173 25.316 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -11.720 25.221 25.130 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -10.332 25.259 24.016 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -11.959 24.886 23.399 1.00 0.00 H new ATOM 2138 N MET A 141 -13.246 22.447 23.945 1.00 0.00 N ATOM 2139 CA MET A 141 -14.539 21.827 24.189 1.00 0.00 C ATOM 2140 C MET A 141 -14.397 20.413 24.747 1.00 0.00 C ATOM 2141 O MET A 141 -15.366 19.831 25.233 1.00 0.00 O ATOM 2142 CB MET A 141 -15.350 21.817 22.890 1.00 0.00 C ATOM 2143 CG MET A 141 -14.699 21.036 21.757 1.00 0.00 C ATOM 2144 SD MET A 141 -14.913 19.252 21.910 1.00 0.00 S ATOM 2145 CE MET A 141 -16.673 19.096 21.619 1.00 0.00 C ATOM 0 H MET A 141 -13.104 22.746 22.980 1.00 0.00 H new ATOM 0 HA MET A 141 -15.063 22.414 24.943 1.00 0.00 H new ATOM 0 HB2 MET A 141 -16.333 21.392 23.092 1.00 0.00 H new ATOM 0 HB3 MET A 141 -15.507 22.845 22.565 1.00 0.00 H new ATOM 0 HG2 MET A 141 -15.121 21.366 20.808 1.00 0.00 H new ATOM 0 HG3 MET A 141 -13.634 21.267 21.730 1.00 0.00 H new ATOM 0 HE1 MET A 141 -17.041 18.187 22.095 1.00 0.00 H new ATOM 0 HE2 MET A 141 -17.189 19.960 22.038 1.00 0.00 H new ATOM 0 HE3 MET A 141 -16.861 19.046 20.547 1.00 0.00 H new ATOM 2155 N MET A 142 -13.185 19.864 24.684 1.00 0.00 N ATOM 2156 CA MET A 142 -12.934 18.519 25.193 1.00 0.00 C ATOM 2157 C MET A 142 -12.047 18.565 26.434 1.00 0.00 C ATOM 2158 O MET A 142 -12.154 17.711 27.315 1.00 0.00 O ATOM 2159 CB MET A 142 -12.290 17.645 24.116 1.00 0.00 C ATOM 2160 CG MET A 142 -12.109 16.197 24.543 1.00 0.00 C ATOM 2161 SD MET A 142 -11.457 15.154 23.224 1.00 0.00 S ATOM 2162 CE MET A 142 -9.867 15.923 22.936 1.00 0.00 C ATOM 0 H MET A 142 -12.367 20.327 24.288 1.00 0.00 H new ATOM 0 HA MET A 142 -13.893 18.080 25.470 1.00 0.00 H new ATOM 0 HB2 MET A 142 -12.905 17.677 23.217 1.00 0.00 H new ATOM 0 HB3 MET A 142 -11.318 18.063 23.852 1.00 0.00 H new ATOM 0 HG2 MET A 142 -11.434 16.157 25.398 1.00 0.00 H new ATOM 0 HG3 MET A 142 -13.068 15.798 24.874 1.00 0.00 H new ATOM 0 HE1 MET A 142 -9.221 15.231 22.396 1.00 0.00 H new ATOM 0 HE2 MET A 142 -10.003 16.829 22.345 1.00 0.00 H new ATOM 0 HE3 MET A 142 -9.408 16.178 23.891 1.00 0.00 H new