USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=35 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 -96:sc= -7.24! (180deg=-8.88!) USER MOD Set 1.2: A 142 MET CE :methyl -161:sc= -0.258 (180deg=-1.26) USER MOD Set 2.1: A 108 CYS SG : rot 79:sc= -0.617 USER MOD Set 2.2: A 121 MET CE :methyl -133:sc= -1.9 (180deg=-0.555) USER MOD Set 3.1: A 24 SER OG : rot 180:sc= 0.00151 USER MOD Set 3.2: A 26 THR OG1 : rot -87:sc= 0.00273 USER MOD Set 3.3: A 62 THR OG1 : rot 154:sc= -3.51 USER MOD Single : A 13 LYS NZ :NH3+ -168:sc= -0.0242 (180deg=-0.224) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl -155:sc= -1.34 (180deg=-2.73!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -3.02! C(o=-3!,f=-2.7!) USER MOD Single : A 28 THR OG1 : rot 121:sc= 0.311 USER MOD Single : A 33 LYS NZ :NH3+ 170:sc= 0.651 (180deg=0.559) USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 1.19 (180deg=1.09) USER MOD Single : A 41 SER OG : rot -130:sc= -0.187 USER MOD Single : A 46 SER OG : rot -87:sc= 0.0961 USER MOD Single : A 49 LYS NZ :NH3+ 151:sc= -0.0778 (180deg=-0.481) USER MOD Single : A 52 MET CE :methyl -113:sc= -4.67! (180deg=-7.87!) USER MOD Single : A 59 LYS NZ :NH3+ -138:sc= -5.65! (180deg=-12.1!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= -1.62! USER MOD Single : A 86 SER OG : rot -89:sc= -0.378 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -167:sc= -0.0212 (180deg=-0.203) USER MOD Single : A 96 SER OG : rot 144:sc= 0.964 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= -14.3! C(o=-15!,f=-14!) USER MOD Single : A 106 GLN : amide:sc= 0.672 K(o=0.67,f=-0.36) USER MOD Single : A 109 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.11) USER MOD Single : A 117 HIS : no HD1:sc=-0.00159 K(o=-0.0016,f=-0.73) USER MOD Single : A 123 LYS NZ :NH3+ -116:sc= 0.123 (180deg=0) USER MOD Single : A 127 GLN :FLIP amide:sc= -5.85! C(o=-15!,f=-5.8!) USER MOD Single : A 129 ASN :FLIP amide:sc= -2.34! C(o=-9.4!,f=-2.3!) USER MOD Single : A 132 GLN :FLIP amide:sc= -2.01 F(o=-3.3!,f=-2) USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 141 MET CE :methyl 153:sc= -0.227 (180deg=-0.98) USER MOD ----------------------------------------------------------------- ATOM 160 N LEU A 12 1.289 -12.325 5.239 1.00 0.00 N ATOM 161 CA LEU A 12 0.946 -10.935 5.523 1.00 0.00 C ATOM 162 C LEU A 12 2.061 -10.000 5.075 1.00 0.00 C ATOM 163 O LEU A 12 1.800 -8.924 4.538 1.00 0.00 O ATOM 164 CB LEU A 12 0.672 -10.758 7.018 1.00 0.00 C ATOM 165 CG LEU A 12 0.201 -9.365 7.439 1.00 0.00 C ATOM 166 CD1 LEU A 12 -1.141 -9.039 6.801 1.00 0.00 C ATOM 167 CD2 LEU A 12 0.109 -9.275 8.955 1.00 0.00 C ATOM 0 HA LEU A 12 0.045 -10.681 4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.082 -11.485 7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.583 -10.996 7.568 1.00 0.00 H new ATOM 0 HG LEU A 12 0.930 -8.633 7.092 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.460 -8.044 7.112 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.044 -9.066 5.716 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.882 -9.773 7.117 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.227 -8.278 9.241 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.601 -10.016 9.321 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.090 -9.466 9.391 1.00 0.00 H new ATOM 179 N LYS A 13 3.305 -10.420 5.281 1.00 0.00 N ATOM 180 CA LYS A 13 4.450 -9.616 4.871 1.00 0.00 C ATOM 181 C LYS A 13 4.350 -9.334 3.384 1.00 0.00 C ATOM 182 O LYS A 13 4.489 -8.192 2.944 1.00 0.00 O ATOM 183 CB LYS A 13 5.755 -10.345 5.191 1.00 0.00 C ATOM 184 CG LYS A 13 5.860 -10.794 6.639 1.00 0.00 C ATOM 185 CD LYS A 13 7.160 -11.540 6.904 1.00 0.00 C ATOM 186 CE LYS A 13 7.247 -12.824 6.095 1.00 0.00 C ATOM 187 NZ LYS A 13 6.144 -13.768 6.429 1.00 0.00 N ATOM 0 H LYS A 13 3.545 -11.306 5.726 1.00 0.00 H new ATOM 0 HA LYS A 13 4.447 -8.674 5.419 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.844 -11.216 4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.594 -9.689 4.961 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.799 -9.925 7.295 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.015 -11.438 6.883 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.005 -10.897 6.658 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.236 -11.773 7.966 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.212 -12.586 5.032 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.206 -13.306 6.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.348 -14.700 6.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.064 -13.857 7.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.249 -13.406 6.043 1.00 0.00 H new ATOM 201 N GLU A 14 4.061 -10.379 2.617 1.00 0.00 N ATOM 202 CA GLU A 14 3.886 -10.238 1.184 1.00 0.00 C ATOM 203 C GLU A 14 2.621 -9.448 0.924 1.00 0.00 C ATOM 204 O GLU A 14 2.547 -8.660 -0.013 1.00 0.00 O ATOM 205 CB GLU A 14 3.805 -11.606 0.501 1.00 0.00 C ATOM 206 CG GLU A 14 5.154 -12.278 0.303 1.00 0.00 C ATOM 207 CD GLU A 14 5.850 -12.624 1.606 1.00 0.00 C ATOM 208 OE1 GLU A 14 6.249 -11.692 2.337 1.00 0.00 O ATOM 209 OE2 GLU A 14 5.995 -13.830 1.898 1.00 0.00 O ATOM 0 H GLU A 14 3.944 -11.330 2.967 1.00 0.00 H new ATOM 0 HA GLU A 14 4.746 -9.713 0.769 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.168 -12.261 1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.323 -11.488 -0.470 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.016 -13.189 -0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.798 -11.620 -0.281 1.00 0.00 H new ATOM 216 N LEU A 15 1.630 -9.654 1.787 1.00 0.00 N ATOM 217 CA LEU A 15 0.365 -8.951 1.674 1.00 0.00 C ATOM 218 C LEU A 15 0.590 -7.448 1.763 1.00 0.00 C ATOM 219 O LEU A 15 -0.165 -6.667 1.185 1.00 0.00 O ATOM 220 CB LEU A 15 -0.608 -9.410 2.762 1.00 0.00 C ATOM 221 CG LEU A 15 -1.984 -8.743 2.728 1.00 0.00 C ATOM 222 CD1 LEU A 15 -2.640 -8.937 1.370 1.00 0.00 C ATOM 223 CD2 LEU A 15 -2.871 -9.298 3.832 1.00 0.00 C ATOM 0 H LEU A 15 1.683 -10.304 2.572 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.074 -9.183 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.742 -10.488 2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.155 -9.222 3.735 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.852 -7.674 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.618 -8.455 1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.014 -8.493 0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.760 -10.002 1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.846 -8.813 3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.994 -10.372 3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.409 -9.107 4.801 1.00 0.00 H new ATOM 235 N PHE A 16 1.641 -7.045 2.475 1.00 0.00 N ATOM 236 CA PHE A 16 1.960 -5.632 2.612 1.00 0.00 C ATOM 237 C PHE A 16 2.402 -5.042 1.281 1.00 0.00 C ATOM 238 O PHE A 16 2.051 -3.912 0.940 1.00 0.00 O ATOM 239 CB PHE A 16 3.067 -5.388 3.643 1.00 0.00 C ATOM 240 CG PHE A 16 3.687 -4.026 3.472 1.00 0.00 C ATOM 241 CD1 PHE A 16 2.910 -2.883 3.592 1.00 0.00 C ATOM 242 CD2 PHE A 16 5.027 -3.887 3.147 1.00 0.00 C ATOM 243 CE1 PHE A 16 3.455 -1.632 3.398 1.00 0.00 C ATOM 244 CE2 PHE A 16 5.576 -2.633 2.944 1.00 0.00 C ATOM 245 CZ PHE A 16 4.787 -1.506 3.071 1.00 0.00 C ATOM 0 H PHE A 16 2.280 -7.674 2.961 1.00 0.00 H new ATOM 0 HA PHE A 16 1.047 -5.144 2.953 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.656 -5.479 4.649 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.835 -6.154 3.542 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.863 -2.975 3.841 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.648 -4.765 3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.838 -0.752 3.502 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.620 -2.535 2.687 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.214 -0.527 2.914 1.00 0.00 H new ATOM 255 N LYS A 17 3.167 -5.817 0.527 1.00 0.00 N ATOM 256 CA LYS A 17 3.646 -5.361 -0.766 1.00 0.00 C ATOM 257 C LYS A 17 2.595 -5.685 -1.792 1.00 0.00 C ATOM 258 O LYS A 17 2.515 -5.078 -2.858 1.00 0.00 O ATOM 259 CB LYS A 17 4.994 -5.990 -1.111 1.00 0.00 C ATOM 260 CG LYS A 17 4.976 -7.508 -1.157 1.00 0.00 C ATOM 261 CD LYS A 17 6.335 -8.066 -1.544 1.00 0.00 C ATOM 262 CE LYS A 17 6.320 -9.584 -1.594 1.00 0.00 C ATOM 263 NZ LYS A 17 7.640 -10.139 -2.003 1.00 0.00 N ATOM 0 H LYS A 17 3.467 -6.757 0.786 1.00 0.00 H new ATOM 0 HA LYS A 17 3.813 -4.284 -0.746 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.322 -5.612 -2.079 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.732 -5.668 -0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.684 -7.900 -0.183 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.226 -7.843 -1.873 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.628 -7.672 -2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.084 -7.732 -0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.049 -9.977 -0.614 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.554 -9.917 -2.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.588 -11.177 -2.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.888 -9.785 -2.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.367 -9.843 -1.321 1.00 0.00 H new ATOM 277 N MET A 18 1.745 -6.620 -1.407 1.00 0.00 N ATOM 278 CA MET A 18 0.628 -7.019 -2.217 1.00 0.00 C ATOM 279 C MET A 18 -0.285 -5.817 -2.358 1.00 0.00 C ATOM 280 O MET A 18 -0.983 -5.654 -3.359 1.00 0.00 O ATOM 281 CB MET A 18 -0.084 -8.193 -1.544 1.00 0.00 C ATOM 282 CG MET A 18 -1.449 -8.510 -2.107 1.00 0.00 C ATOM 283 SD MET A 18 -1.411 -9.759 -3.412 1.00 0.00 S ATOM 284 CE MET A 18 -0.342 -8.981 -4.619 1.00 0.00 C ATOM 0 H MET A 18 1.817 -7.120 -0.521 1.00 0.00 H new ATOM 0 HA MET A 18 0.943 -7.348 -3.207 1.00 0.00 H new ATOM 0 HB2 MET A 18 0.544 -9.079 -1.631 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.186 -7.977 -0.480 1.00 0.00 H new ATOM 0 HG2 MET A 18 -2.095 -8.856 -1.301 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.893 -7.596 -2.501 1.00 0.00 H new ATOM 0 HE1 MET A 18 -0.563 -9.377 -5.610 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.510 -7.904 -4.613 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.699 -9.188 -4.370 1.00 0.00 H new ATOM 294 N ILE A 19 -0.222 -4.946 -1.349 1.00 0.00 N ATOM 295 CA ILE A 19 -0.983 -3.717 -1.350 1.00 0.00 C ATOM 296 C ILE A 19 -0.386 -2.791 -2.391 1.00 0.00 C ATOM 297 O ILE A 19 -1.041 -2.404 -3.359 1.00 0.00 O ATOM 298 CB ILE A 19 -0.925 -3.010 0.018 1.00 0.00 C ATOM 299 CG1 ILE A 19 -1.318 -3.945 1.167 1.00 0.00 C ATOM 300 CG2 ILE A 19 -1.816 -1.784 0.009 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.572 -4.752 0.907 1.00 0.00 C ATOM 0 H ILE A 19 0.356 -5.080 -0.519 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.024 -3.955 -1.569 1.00 0.00 H new ATOM 0 HB ILE A 19 0.108 -2.706 0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.493 -4.630 1.362 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.461 -3.352 2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.768 -1.292 0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.478 -1.094 -0.764 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.844 -2.083 -0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.781 -5.387 1.768 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.412 -4.077 0.742 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.428 -5.374 0.023 1.00 0.00 H new ATOM 313 N ASP A 20 0.889 -2.477 -2.192 1.00 0.00 N ATOM 314 CA ASP A 20 1.626 -1.636 -3.113 1.00 0.00 C ATOM 315 C ASP A 20 2.043 -2.457 -4.317 1.00 0.00 C ATOM 316 O ASP A 20 3.111 -3.070 -4.339 1.00 0.00 O ATOM 317 CB ASP A 20 2.847 -1.033 -2.429 1.00 0.00 C ATOM 318 CG ASP A 20 3.921 -0.635 -3.421 1.00 0.00 C ATOM 319 OD1 ASP A 20 3.665 0.269 -4.237 1.00 0.00 O ATOM 320 OD2 ASP A 20 5.010 -1.244 -3.391 1.00 0.00 O ATOM 0 H ASP A 20 1.433 -2.798 -1.392 1.00 0.00 H new ATOM 0 HA ASP A 20 0.986 -0.817 -3.440 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.544 -0.158 -1.854 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.257 -1.753 -1.721 1.00 0.00 H new ATOM 325 N THR A 21 1.179 -2.475 -5.310 1.00 0.00 N ATOM 326 CA THR A 21 1.434 -3.230 -6.519 1.00 0.00 C ATOM 327 C THR A 21 2.204 -2.404 -7.542 1.00 0.00 C ATOM 328 O THR A 21 3.014 -2.943 -8.298 1.00 0.00 O ATOM 329 CB THR A 21 0.116 -3.721 -7.111 1.00 0.00 C ATOM 330 OG1 THR A 21 0.348 -4.570 -8.220 1.00 0.00 O ATOM 331 CG2 THR A 21 -0.791 -2.601 -7.572 1.00 0.00 C ATOM 0 H THR A 21 0.291 -1.974 -5.304 1.00 0.00 H new ATOM 0 HA THR A 21 2.053 -4.089 -6.259 1.00 0.00 H new ATOM 0 HB THR A 21 -0.379 -4.256 -6.301 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.509 -4.875 -8.584 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.709 -3.022 -7.982 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.033 -1.957 -6.726 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.285 -2.016 -8.341 1.00 0.00 H new ATOM 339 N ASP A 22 1.933 -1.100 -7.588 1.00 0.00 N ATOM 340 CA ASP A 22 2.601 -0.236 -8.560 1.00 0.00 C ATOM 341 C ASP A 22 3.003 1.129 -8.000 1.00 0.00 C ATOM 342 O ASP A 22 3.269 2.047 -8.777 1.00 0.00 O ATOM 343 CB ASP A 22 1.687 -0.021 -9.763 1.00 0.00 C ATOM 344 CG ASP A 22 0.442 0.762 -9.397 1.00 0.00 C ATOM 345 OD1 ASP A 22 -0.325 0.291 -8.532 1.00 0.00 O ATOM 346 OD2 ASP A 22 0.234 1.849 -9.977 1.00 0.00 O ATOM 0 H ASP A 22 1.269 -0.626 -6.976 1.00 0.00 H new ATOM 0 HA ASP A 22 3.521 -0.749 -8.841 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.233 0.510 -10.543 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.399 -0.987 -10.177 1.00 0.00 H new ATOM 351 N ASN A 23 3.041 1.298 -6.681 1.00 0.00 N ATOM 352 CA ASN A 23 3.403 2.590 -6.130 1.00 0.00 C ATOM 353 C ASN A 23 4.896 2.714 -5.839 1.00 0.00 C ATOM 354 O ASN A 23 5.651 3.185 -6.690 1.00 0.00 O ATOM 355 CB ASN A 23 2.569 2.918 -4.897 1.00 0.00 C ATOM 356 CG ASN A 23 1.274 3.614 -5.267 1.00 0.00 C ATOM 357 OD1 ASN A 23 0.447 3.066 -5.996 1.00 0.00 O ATOM 358 ND2 ASN A 23 1.091 4.831 -4.766 1.00 0.00 N ATOM 0 H ASN A 23 2.831 0.574 -5.994 1.00 0.00 H new ATOM 0 HA ASN A 23 3.177 3.328 -6.900 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.347 2.000 -4.353 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.146 3.554 -4.226 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.239 5.348 -4.982 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.803 5.248 -4.166 1.00 0.00 H new ATOM 365 N SER A 24 5.333 2.325 -4.642 1.00 0.00 N ATOM 366 CA SER A 24 6.748 2.449 -4.294 1.00 0.00 C ATOM 367 C SER A 24 7.124 1.634 -3.057 1.00 0.00 C ATOM 368 O SER A 24 8.282 1.638 -2.638 1.00 0.00 O ATOM 369 CB SER A 24 7.077 3.918 -4.045 1.00 0.00 C ATOM 370 OG SER A 24 6.240 4.454 -3.032 1.00 0.00 O ATOM 0 H SER A 24 4.742 1.929 -3.911 1.00 0.00 H new ATOM 0 HA SER A 24 7.325 2.056 -5.131 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.122 4.017 -3.751 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.950 4.486 -4.967 1.00 0.00 H new ATOM 0 HG SER A 24 6.467 5.396 -2.885 1.00 0.00 H new ATOM 376 N GLY A 25 6.149 0.967 -2.457 1.00 0.00 N ATOM 377 CA GLY A 25 6.405 0.195 -1.259 1.00 0.00 C ATOM 378 C GLY A 25 5.751 0.829 -0.051 1.00 0.00 C ATOM 379 O GLY A 25 6.112 0.556 1.093 1.00 0.00 O ATOM 0 H GLY A 25 5.182 0.947 -2.780 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.029 -0.820 -1.389 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.480 0.118 -1.096 1.00 0.00 H new ATOM 383 N THR A 26 4.759 1.663 -0.334 1.00 0.00 N ATOM 384 CA THR A 26 3.986 2.351 0.687 1.00 0.00 C ATOM 385 C THR A 26 2.515 2.103 0.412 1.00 0.00 C ATOM 386 O THR A 26 2.168 1.624 -0.660 1.00 0.00 O ATOM 387 CB THR A 26 4.283 3.851 0.686 1.00 0.00 C ATOM 388 OG1 THR A 26 3.998 4.417 -0.581 1.00 0.00 O ATOM 389 CG2 THR A 26 5.722 4.176 1.024 1.00 0.00 C ATOM 0 H THR A 26 4.467 1.882 -1.287 1.00 0.00 H new ATOM 0 HA THR A 26 4.257 1.968 1.671 1.00 0.00 H new ATOM 0 HB THR A 26 3.642 4.274 1.460 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.783 4.331 -1.162 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.865 5.256 1.006 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.957 3.796 2.018 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.382 3.710 0.292 1.00 0.00 H new ATOM 397 N ILE A 27 1.653 2.406 1.368 1.00 0.00 N ATOM 398 CA ILE A 27 0.231 2.176 1.174 1.00 0.00 C ATOM 399 C ILE A 27 -0.576 3.435 1.354 1.00 0.00 C ATOM 400 O ILE A 27 -0.881 3.813 2.469 1.00 0.00 O ATOM 401 CB ILE A 27 -0.259 1.167 2.195 1.00 0.00 C ATOM 402 CG1 ILE A 27 0.615 -0.078 2.114 1.00 0.00 C ATOM 403 CG2 ILE A 27 -1.736 0.851 1.978 1.00 0.00 C ATOM 404 CD1 ILE A 27 0.016 -1.292 2.782 1.00 0.00 C ATOM 0 H ILE A 27 1.906 2.805 2.272 1.00 0.00 H new ATOM 0 HA ILE A 27 0.099 1.814 0.154 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.177 1.582 3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.805 -0.309 1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.580 0.137 2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.066 0.125 2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.322 1.765 2.078 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.877 0.437 0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.698 -2.136 2.681 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.148 -1.082 3.839 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.935 -1.535 2.309 1.00 0.00 H new ATOM 416 N THR A 28 -0.978 4.049 0.265 1.00 0.00 N ATOM 417 CA THR A 28 -1.773 5.252 0.357 1.00 0.00 C ATOM 418 C THR A 28 -3.222 4.958 0.057 1.00 0.00 C ATOM 419 O THR A 28 -3.549 3.896 -0.441 1.00 0.00 O ATOM 420 CB THR A 28 -1.235 6.313 -0.600 1.00 0.00 C ATOM 421 OG1 THR A 28 -1.267 5.845 -1.937 1.00 0.00 O ATOM 422 CG2 THR A 28 0.186 6.722 -0.287 1.00 0.00 C ATOM 0 H THR A 28 -0.771 3.740 -0.685 1.00 0.00 H new ATOM 0 HA THR A 28 -1.707 5.633 1.376 1.00 0.00 H new ATOM 0 HB THR A 28 -1.884 7.180 -0.474 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.816 6.447 -2.481 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.513 7.478 -1.001 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.233 7.131 0.722 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.839 5.852 -0.356 1.00 0.00 H new ATOM 430 N PHE A 29 -4.074 5.901 0.409 1.00 0.00 N ATOM 431 CA PHE A 29 -5.523 5.771 0.230 1.00 0.00 C ATOM 432 C PHE A 29 -5.873 4.966 -1.030 1.00 0.00 C ATOM 433 O PHE A 29 -6.805 4.161 -1.016 1.00 0.00 O ATOM 434 CB PHE A 29 -6.142 7.168 0.129 1.00 0.00 C ATOM 435 CG PHE A 29 -7.609 7.217 0.445 1.00 0.00 C ATOM 436 CD1 PHE A 29 -8.039 7.411 1.747 1.00 0.00 C ATOM 437 CD2 PHE A 29 -8.556 7.086 -0.557 1.00 0.00 C ATOM 438 CE1 PHE A 29 -9.387 7.468 2.046 1.00 0.00 C ATOM 439 CE2 PHE A 29 -9.906 7.142 -0.264 1.00 0.00 C ATOM 440 CZ PHE A 29 -10.321 7.334 1.039 1.00 0.00 C ATOM 0 H PHE A 29 -3.789 6.785 0.829 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.924 5.235 1.090 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.613 7.837 0.808 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.986 7.550 -0.880 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.312 7.519 2.538 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.237 6.939 -1.578 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.709 7.617 3.066 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.635 7.036 -1.053 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.375 7.379 1.270 1.00 0.00 H new ATOM 450 N ASP A 30 -5.123 5.176 -2.111 1.00 0.00 N ATOM 451 CA ASP A 30 -5.366 4.451 -3.360 1.00 0.00 C ATOM 452 C ASP A 30 -4.916 2.986 -3.251 1.00 0.00 C ATOM 453 O ASP A 30 -5.641 2.073 -3.658 1.00 0.00 O ATOM 454 CB ASP A 30 -4.673 5.154 -4.533 1.00 0.00 C ATOM 455 CG ASP A 30 -3.205 5.426 -4.278 1.00 0.00 C ATOM 456 OD1 ASP A 30 -2.432 4.457 -4.158 1.00 0.00 O ATOM 457 OD2 ASP A 30 -2.827 6.614 -4.200 1.00 0.00 O ATOM 0 H ASP A 30 -4.347 5.837 -2.149 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.440 4.451 -3.547 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.773 4.539 -5.428 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.181 6.097 -4.736 1.00 0.00 H new ATOM 462 N GLU A 31 -3.738 2.766 -2.663 1.00 0.00 N ATOM 463 CA GLU A 31 -3.212 1.424 -2.459 1.00 0.00 C ATOM 464 C GLU A 31 -3.950 0.737 -1.325 1.00 0.00 C ATOM 465 O GLU A 31 -3.992 -0.488 -1.249 1.00 0.00 O ATOM 466 CB GLU A 31 -1.739 1.515 -2.111 1.00 0.00 C ATOM 467 CG GLU A 31 -0.903 2.147 -3.195 1.00 0.00 C ATOM 468 CD GLU A 31 0.538 2.273 -2.783 1.00 0.00 C ATOM 469 OE1 GLU A 31 1.246 1.253 -2.819 1.00 0.00 O ATOM 470 OE2 GLU A 31 0.957 3.389 -2.411 1.00 0.00 O ATOM 0 H GLU A 31 -3.130 3.509 -2.319 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.347 0.846 -3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.626 2.092 -1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.359 0.514 -1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.971 1.548 -4.103 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.301 3.133 -3.433 1.00 0.00 H new ATOM 477 N LEU A 32 -4.523 1.543 -0.436 1.00 0.00 N ATOM 478 CA LEU A 32 -5.244 1.026 0.704 1.00 0.00 C ATOM 479 C LEU A 32 -6.319 0.055 0.239 1.00 0.00 C ATOM 480 O LEU A 32 -6.368 -1.097 0.669 1.00 0.00 O ATOM 481 CB LEU A 32 -5.860 2.165 1.506 1.00 0.00 C ATOM 482 CG LEU A 32 -6.268 1.782 2.928 1.00 0.00 C ATOM 483 CD1 LEU A 32 -6.238 2.987 3.854 1.00 0.00 C ATOM 484 CD2 LEU A 32 -7.640 1.123 2.939 1.00 0.00 C ATOM 0 H LEU A 32 -4.497 2.561 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.547 0.494 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.147 2.988 1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.738 2.535 0.976 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.541 1.060 3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.533 2.682 4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.229 3.399 3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.930 3.745 3.487 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.909 0.859 3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.379 1.815 2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.616 0.222 2.326 1.00 0.00 H new ATOM 496 N LYS A 33 -7.162 0.534 -0.669 1.00 0.00 N ATOM 497 CA LYS A 33 -8.229 -0.279 -1.235 1.00 0.00 C ATOM 498 C LYS A 33 -7.667 -1.259 -2.257 1.00 0.00 C ATOM 499 O LYS A 33 -7.759 -2.463 -2.072 1.00 0.00 O ATOM 500 CB LYS A 33 -9.304 0.607 -1.878 1.00 0.00 C ATOM 501 CG LYS A 33 -8.754 1.659 -2.828 1.00 0.00 C ATOM 502 CD LYS A 33 -9.862 2.393 -3.560 1.00 0.00 C ATOM 503 CE LYS A 33 -10.827 3.064 -2.596 1.00 0.00 C ATOM 504 NZ LYS A 33 -11.896 3.816 -3.310 1.00 0.00 N ATOM 0 H LYS A 33 -7.125 1.487 -1.030 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.691 -0.846 -0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.005 -0.027 -2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.869 1.104 -1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.152 2.375 -2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.093 1.184 -3.552 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.427 3.143 -4.220 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.408 1.692 -4.191 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.282 2.309 -1.954 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.276 3.745 -1.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.624 4.115 -2.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.484 4.655 -3.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.327 3.205 -4.032 1.00 0.00 H new ATOM 518 N ASP A 34 -7.079 -0.732 -3.327 1.00 0.00 N ATOM 519 CA ASP A 34 -6.504 -1.562 -4.385 1.00 0.00 C ATOM 520 C ASP A 34 -5.832 -2.811 -3.829 1.00 0.00 C ATOM 521 O ASP A 34 -6.060 -3.916 -4.315 1.00 0.00 O ATOM 522 CB ASP A 34 -5.489 -0.748 -5.174 1.00 0.00 C ATOM 523 CG ASP A 34 -5.024 -1.454 -6.433 1.00 0.00 C ATOM 524 OD1 ASP A 34 -5.881 -1.778 -7.282 1.00 0.00 O ATOM 525 OD2 ASP A 34 -3.804 -1.680 -6.571 1.00 0.00 O ATOM 0 H ASP A 34 -6.987 0.271 -3.486 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.318 -1.884 -5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.929 0.212 -5.442 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.627 -0.538 -4.541 1.00 0.00 H new ATOM 530 N GLY A 35 -4.999 -2.620 -2.816 1.00 0.00 N ATOM 531 CA GLY A 35 -4.285 -3.732 -2.206 1.00 0.00 C ATOM 532 C GLY A 35 -5.173 -4.917 -1.859 1.00 0.00 C ATOM 533 O GLY A 35 -4.897 -6.043 -2.277 1.00 0.00 O ATOM 0 H GLY A 35 -4.802 -1.710 -2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.501 -4.065 -2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.793 -3.381 -1.299 1.00 0.00 H new ATOM 537 N LEU A 36 -6.237 -4.677 -1.093 1.00 0.00 N ATOM 538 CA LEU A 36 -7.149 -5.752 -0.697 1.00 0.00 C ATOM 539 C LEU A 36 -8.258 -5.902 -1.724 1.00 0.00 C ATOM 540 O LEU A 36 -8.582 -7.008 -2.156 1.00 0.00 O ATOM 541 CB LEU A 36 -7.750 -5.469 0.674 1.00 0.00 C ATOM 542 CG LEU A 36 -8.140 -6.706 1.489 1.00 0.00 C ATOM 543 CD1 LEU A 36 -9.190 -7.521 0.755 1.00 0.00 C ATOM 544 CD2 LEU A 36 -6.914 -7.559 1.786 1.00 0.00 C ATOM 0 H LEU A 36 -6.488 -3.755 -0.736 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.581 -6.681 -0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.034 -4.885 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -8.636 -4.848 0.542 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.565 -6.372 2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.454 -8.395 1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.078 -6.910 0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.793 -7.844 -0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.211 -8.433 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.460 -7.882 0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.193 -6.973 2.356 1.00 0.00 H new ATOM 556 N LYS A 37 -8.821 -4.770 -2.118 1.00 0.00 N ATOM 557 CA LYS A 37 -9.883 -4.723 -3.110 1.00 0.00 C ATOM 558 C LYS A 37 -9.472 -5.510 -4.358 1.00 0.00 C ATOM 559 O LYS A 37 -10.307 -5.881 -5.184 1.00 0.00 O ATOM 560 CB LYS A 37 -10.167 -3.256 -3.449 1.00 0.00 C ATOM 561 CG LYS A 37 -11.203 -3.051 -4.532 1.00 0.00 C ATOM 562 CD LYS A 37 -10.638 -2.229 -5.677 1.00 0.00 C ATOM 563 CE LYS A 37 -9.479 -2.949 -6.349 1.00 0.00 C ATOM 564 NZ LYS A 37 -9.941 -4.104 -7.167 1.00 0.00 N ATOM 0 H LYS A 37 -8.553 -3.855 -1.757 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.790 -5.182 -2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.499 -2.745 -2.545 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.236 -2.781 -3.760 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.540 -4.018 -4.906 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.076 -2.549 -4.115 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.422 -2.033 -6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.302 -1.262 -5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.936 -2.249 -6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.780 -3.299 -5.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.129 -4.526 -7.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.377 -4.816 -6.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.640 -3.778 -7.865 1.00 0.00 H new ATOM 578 N ARG A 38 -8.168 -5.763 -4.468 1.00 0.00 N ATOM 579 CA ARG A 38 -7.594 -6.505 -5.586 1.00 0.00 C ATOM 580 C ARG A 38 -8.175 -7.914 -5.689 1.00 0.00 C ATOM 581 O ARG A 38 -8.478 -8.391 -6.783 1.00 0.00 O ATOM 582 CB ARG A 38 -6.078 -6.600 -5.401 1.00 0.00 C ATOM 583 CG ARG A 38 -5.344 -7.263 -6.553 1.00 0.00 C ATOM 584 CD ARG A 38 -3.875 -7.476 -6.217 1.00 0.00 C ATOM 585 NE ARG A 38 -3.267 -6.282 -5.634 1.00 0.00 N ATOM 586 CZ ARG A 38 -3.176 -5.112 -6.259 1.00 0.00 C ATOM 587 NH1 ARG A 38 -3.612 -4.979 -7.504 1.00 0.00 N ATOM 588 NH2 ARG A 38 -2.638 -4.073 -5.635 1.00 0.00 N ATOM 0 H ARG A 38 -7.479 -5.457 -3.781 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.837 -5.971 -6.505 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.678 -5.596 -5.262 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.870 -7.156 -4.486 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.810 -8.221 -6.782 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.430 -6.645 -7.447 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.780 -8.308 -5.520 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.333 -7.754 -7.121 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.889 -6.350 -4.689 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.021 -5.778 -7.989 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.539 -4.078 -7.977 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.296 -4.173 -4.679 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -2.566 -3.174 -6.111 1.00 0.00 H new ATOM 602 N VAL A 39 -8.309 -8.584 -4.547 1.00 0.00 N ATOM 603 CA VAL A 39 -8.831 -9.946 -4.509 1.00 0.00 C ATOM 604 C VAL A 39 -10.353 -9.985 -4.633 1.00 0.00 C ATOM 605 O VAL A 39 -11.005 -10.880 -4.094 1.00 0.00 O ATOM 606 CB VAL A 39 -8.409 -10.664 -3.212 1.00 0.00 C ATOM 607 CG1 VAL A 39 -6.894 -10.759 -3.124 1.00 0.00 C ATOM 608 CG2 VAL A 39 -8.974 -9.948 -1.994 1.00 0.00 C ATOM 0 H VAL A 39 -8.062 -8.204 -3.633 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.404 -10.463 -5.368 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.815 -11.675 -3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.614 -11.269 -2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.514 -11.320 -3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.466 -9.757 -3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.665 -10.471 -1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.600 -8.924 -1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.062 -9.935 -2.052 1.00 0.00 H new ATOM 618 N GLY A 40 -10.913 -9.021 -5.353 1.00 0.00 N ATOM 619 CA GLY A 40 -12.352 -8.976 -5.538 1.00 0.00 C ATOM 620 C GLY A 40 -13.056 -8.172 -4.464 1.00 0.00 C ATOM 621 O GLY A 40 -14.166 -7.685 -4.675 1.00 0.00 O ATOM 0 H GLY A 40 -10.398 -8.270 -5.812 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.575 -8.544 -6.514 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.745 -9.992 -5.541 1.00 0.00 H new ATOM 625 N SER A 41 -12.408 -8.029 -3.310 1.00 0.00 N ATOM 626 CA SER A 41 -12.972 -7.277 -2.204 1.00 0.00 C ATOM 627 C SER A 41 -13.376 -5.881 -2.655 1.00 0.00 C ATOM 628 O SER A 41 -12.832 -5.353 -3.624 1.00 0.00 O ATOM 629 CB SER A 41 -11.953 -7.194 -1.071 1.00 0.00 C ATOM 630 OG SER A 41 -11.698 -8.476 -0.525 1.00 0.00 O ATOM 0 H SER A 41 -11.488 -8.428 -3.121 1.00 0.00 H new ATOM 0 HA SER A 41 -13.865 -7.790 -1.847 1.00 0.00 H new ATOM 0 HB2 SER A 41 -11.024 -6.762 -1.443 1.00 0.00 H new ATOM 0 HB3 SER A 41 -12.324 -6.529 -0.291 1.00 0.00 H new ATOM 0 HG SER A 41 -11.779 -8.438 0.451 1.00 0.00 H new ATOM 636 N GLU A 42 -14.338 -5.289 -1.958 1.00 0.00 N ATOM 637 CA GLU A 42 -14.808 -3.955 -2.306 1.00 0.00 C ATOM 638 C GLU A 42 -15.166 -3.148 -1.062 1.00 0.00 C ATOM 639 O GLU A 42 -16.058 -3.517 -0.298 1.00 0.00 O ATOM 640 CB GLU A 42 -16.012 -4.045 -3.246 1.00 0.00 C ATOM 641 CG GLU A 42 -17.181 -4.831 -2.675 1.00 0.00 C ATOM 642 CD GLU A 42 -18.363 -4.886 -3.623 1.00 0.00 C ATOM 643 OE1 GLU A 42 -18.196 -5.400 -4.749 1.00 0.00 O ATOM 644 OE2 GLU A 42 -19.455 -4.416 -3.240 1.00 0.00 O ATOM 0 H GLU A 42 -14.805 -5.708 -1.154 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.996 -3.437 -2.817 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -16.348 -3.037 -3.488 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -15.697 -4.509 -4.181 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -16.855 -5.846 -2.447 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -17.495 -4.378 -1.735 1.00 0.00 H new ATOM 651 N LEU A 43 -14.454 -2.043 -0.870 1.00 0.00 N ATOM 652 CA LEU A 43 -14.678 -1.169 0.272 1.00 0.00 C ATOM 653 C LEU A 43 -15.073 0.226 -0.194 1.00 0.00 C ATOM 654 O LEU A 43 -14.885 0.573 -1.360 1.00 0.00 O ATOM 655 CB LEU A 43 -13.409 -1.079 1.122 1.00 0.00 C ATOM 656 CG LEU A 43 -12.810 -2.421 1.543 1.00 0.00 C ATOM 657 CD1 LEU A 43 -11.495 -2.204 2.275 1.00 0.00 C ATOM 658 CD2 LEU A 43 -13.786 -3.193 2.419 1.00 0.00 C ATOM 0 H LEU A 43 -13.712 -1.731 -1.496 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.487 -1.587 0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.656 -0.522 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -13.632 -0.502 2.019 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.617 -3.010 0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.079 -3.168 2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.793 -1.691 1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.669 -1.597 3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.341 -4.145 2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.011 -2.611 3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.706 -3.376 1.864 1.00 0.00 H new ATOM 670 N MET A 44 -15.586 1.036 0.725 1.00 0.00 N ATOM 671 CA MET A 44 -15.963 2.401 0.406 1.00 0.00 C ATOM 672 C MET A 44 -14.919 3.349 0.986 1.00 0.00 C ATOM 673 O MET A 44 -14.235 3.001 1.943 1.00 0.00 O ATOM 674 CB MET A 44 -17.361 2.702 0.940 1.00 0.00 C ATOM 675 CG MET A 44 -17.516 2.475 2.431 1.00 0.00 C ATOM 676 SD MET A 44 -17.013 3.903 3.402 1.00 0.00 S ATOM 677 CE MET A 44 -17.640 3.453 5.017 1.00 0.00 C ATOM 0 H MET A 44 -15.749 0.768 1.696 1.00 0.00 H new ATOM 0 HA MET A 44 -15.995 2.539 -0.675 1.00 0.00 H new ATOM 0 HB2 MET A 44 -17.609 3.739 0.713 1.00 0.00 H new ATOM 0 HB3 MET A 44 -18.082 2.079 0.411 1.00 0.00 H new ATOM 0 HG2 MET A 44 -18.556 2.237 2.653 1.00 0.00 H new ATOM 0 HG3 MET A 44 -16.922 1.611 2.727 1.00 0.00 H new ATOM 0 HE1 MET A 44 -18.616 3.913 5.169 1.00 0.00 H new ATOM 0 HE2 MET A 44 -17.735 2.369 5.081 1.00 0.00 H new ATOM 0 HE3 MET A 44 -16.950 3.803 5.785 1.00 0.00 H new ATOM 687 N GLU A 45 -14.765 4.513 0.373 1.00 0.00 N ATOM 688 CA GLU A 45 -13.756 5.481 0.801 1.00 0.00 C ATOM 689 C GLU A 45 -13.648 5.646 2.316 1.00 0.00 C ATOM 690 O GLU A 45 -12.556 5.485 2.860 1.00 0.00 O ATOM 691 CB GLU A 45 -13.976 6.829 0.127 1.00 0.00 C ATOM 692 CG GLU A 45 -13.624 6.800 -1.348 1.00 0.00 C ATOM 693 CD GLU A 45 -14.655 6.063 -2.180 1.00 0.00 C ATOM 694 OE1 GLU A 45 -15.831 6.487 -2.180 1.00 0.00 O ATOM 695 OE2 GLU A 45 -14.290 5.064 -2.832 1.00 0.00 O ATOM 0 H GLU A 45 -15.325 4.814 -0.424 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.800 5.067 0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.019 7.125 0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.372 7.586 0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.530 7.822 -1.715 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.652 6.324 -1.476 1.00 0.00 H new ATOM 702 N SER A 46 -14.736 5.979 3.015 1.00 0.00 N ATOM 703 CA SER A 46 -14.660 6.165 4.463 1.00 0.00 C ATOM 704 C SER A 46 -14.073 4.942 5.164 1.00 0.00 C ATOM 705 O SER A 46 -13.533 5.056 6.264 1.00 0.00 O ATOM 706 CB SER A 46 -16.038 6.496 5.040 1.00 0.00 C ATOM 707 OG SER A 46 -16.556 7.686 4.471 1.00 0.00 O ATOM 0 H SER A 46 -15.661 6.123 2.611 1.00 0.00 H new ATOM 0 HA SER A 46 -13.990 7.005 4.645 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.723 5.670 4.850 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.966 6.608 6.122 1.00 0.00 H new ATOM 0 HG SER A 46 -16.244 8.458 4.987 1.00 0.00 H new ATOM 713 N GLU A 47 -14.133 3.782 4.512 1.00 0.00 N ATOM 714 CA GLU A 47 -13.552 2.573 5.085 1.00 0.00 C ATOM 715 C GLU A 47 -12.041 2.652 4.965 1.00 0.00 C ATOM 716 O GLU A 47 -11.308 2.372 5.914 1.00 0.00 O ATOM 717 CB GLU A 47 -14.066 1.312 4.386 1.00 0.00 C ATOM 718 CG GLU A 47 -15.459 0.892 4.821 1.00 0.00 C ATOM 719 CD GLU A 47 -15.870 -0.448 4.243 1.00 0.00 C ATOM 720 OE1 GLU A 47 -16.018 -0.543 3.007 1.00 0.00 O ATOM 721 OE2 GLU A 47 -16.031 -1.407 5.025 1.00 0.00 O ATOM 0 H GLU A 47 -14.572 3.656 3.600 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.847 2.509 6.132 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -14.068 1.480 3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.373 0.493 4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.496 0.841 5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.177 1.652 4.513 1.00 0.00 H new ATOM 728 N ILE A 48 -11.585 3.070 3.790 1.00 0.00 N ATOM 729 CA ILE A 48 -10.165 3.229 3.542 1.00 0.00 C ATOM 730 C ILE A 48 -9.590 4.211 4.551 1.00 0.00 C ATOM 731 O ILE A 48 -8.634 3.906 5.265 1.00 0.00 O ATOM 732 CB ILE A 48 -9.892 3.730 2.102 1.00 0.00 C ATOM 733 CG1 ILE A 48 -10.194 2.633 1.085 1.00 0.00 C ATOM 734 CG2 ILE A 48 -8.449 4.182 1.956 1.00 0.00 C ATOM 735 CD1 ILE A 48 -11.654 2.255 0.984 1.00 0.00 C ATOM 0 H ILE A 48 -12.182 3.304 2.996 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.684 2.257 3.650 1.00 0.00 H new ATOM 0 HB ILE A 48 -10.548 4.579 1.911 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -9.848 2.959 0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -9.619 1.745 1.347 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.278 4.530 0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -8.250 4.994 2.655 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.783 3.347 2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -11.776 1.469 0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -12.004 1.895 1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -12.236 3.128 0.690 1.00 0.00 H new ATOM 747 N LYS A 49 -10.211 5.381 4.620 1.00 0.00 N ATOM 748 CA LYS A 49 -9.804 6.418 5.554 1.00 0.00 C ATOM 749 C LYS A 49 -9.740 5.863 6.971 1.00 0.00 C ATOM 750 O LYS A 49 -8.945 6.321 7.794 1.00 0.00 O ATOM 751 CB LYS A 49 -10.802 7.573 5.513 1.00 0.00 C ATOM 752 CG LYS A 49 -10.451 8.715 6.453 1.00 0.00 C ATOM 753 CD LYS A 49 -11.692 9.477 6.889 1.00 0.00 C ATOM 754 CE LYS A 49 -12.627 8.590 7.693 1.00 0.00 C ATOM 755 NZ LYS A 49 -11.944 7.989 8.872 1.00 0.00 N ATOM 0 H LYS A 49 -11.006 5.635 4.033 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.815 6.774 5.265 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.859 7.957 4.494 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.792 7.195 5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.937 8.321 7.330 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.759 9.396 5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.400 10.340 7.488 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.214 9.859 6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -13.483 9.175 8.029 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.014 7.796 7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.639 7.822 9.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.508 7.086 8.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.208 8.639 9.215 1.00 0.00 H new ATOM 769 N ASP A 50 -10.584 4.874 7.252 1.00 0.00 N ATOM 770 CA ASP A 50 -10.626 4.265 8.575 1.00 0.00 C ATOM 771 C ASP A 50 -9.298 3.595 8.892 1.00 0.00 C ATOM 772 O ASP A 50 -8.708 3.825 9.945 1.00 0.00 O ATOM 773 CB ASP A 50 -11.769 3.252 8.660 1.00 0.00 C ATOM 774 CG ASP A 50 -11.928 2.666 10.050 1.00 0.00 C ATOM 775 OD1 ASP A 50 -10.980 2.010 10.533 1.00 0.00 O ATOM 776 OD2 ASP A 50 -13.002 2.864 10.658 1.00 0.00 O ATOM 0 H ASP A 50 -11.245 4.479 6.583 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.803 5.048 9.312 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.700 3.735 8.365 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.589 2.446 7.949 1.00 0.00 H new ATOM 781 N LEU A 51 -8.823 2.776 7.965 1.00 0.00 N ATOM 782 CA LEU A 51 -7.553 2.084 8.138 1.00 0.00 C ATOM 783 C LEU A 51 -6.408 3.086 8.290 1.00 0.00 C ATOM 784 O LEU A 51 -5.303 2.728 8.698 1.00 0.00 O ATOM 785 CB LEU A 51 -7.301 1.161 6.940 1.00 0.00 C ATOM 786 CG LEU A 51 -5.899 0.555 6.854 1.00 0.00 C ATOM 787 CD1 LEU A 51 -5.608 -0.328 8.055 1.00 0.00 C ATOM 788 CD2 LEU A 51 -5.741 -0.237 5.565 1.00 0.00 C ATOM 0 H LEU A 51 -9.298 2.574 7.085 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.600 1.484 9.047 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.027 0.348 6.972 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.491 1.723 6.025 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.179 1.373 6.855 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.605 -0.745 7.966 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.675 0.265 8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.335 -1.139 8.095 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.738 -0.661 5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.477 -1.041 5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.895 0.423 4.711 1.00 0.00 H new ATOM 800 N MET A 52 -6.678 4.341 7.941 1.00 0.00 N ATOM 801 CA MET A 52 -5.671 5.393 8.017 1.00 0.00 C ATOM 802 C MET A 52 -5.612 6.084 9.379 1.00 0.00 C ATOM 803 O MET A 52 -4.610 6.001 10.082 1.00 0.00 O ATOM 804 CB MET A 52 -5.926 6.417 6.918 1.00 0.00 C ATOM 805 CG MET A 52 -5.457 5.965 5.546 1.00 0.00 C ATOM 806 SD MET A 52 -3.747 5.392 5.553 1.00 0.00 S ATOM 807 CE MET A 52 -3.504 5.034 3.815 1.00 0.00 C ATOM 0 H MET A 52 -7.588 4.654 7.602 1.00 0.00 H new ATOM 0 HA MET A 52 -4.701 4.916 7.878 1.00 0.00 H new ATOM 0 HB2 MET A 52 -6.993 6.633 6.875 1.00 0.00 H new ATOM 0 HB3 MET A 52 -5.422 7.348 7.177 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.104 5.163 5.191 1.00 0.00 H new ATOM 0 HG3 MET A 52 -5.557 6.791 4.841 1.00 0.00 H new ATOM 0 HE1 MET A 52 -3.375 3.960 3.679 1.00 0.00 H new ATOM 0 HE2 MET A 52 -4.373 5.370 3.249 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.615 5.554 3.457 1.00 0.00 H new ATOM 817 N ASP A 53 -6.665 6.790 9.745 1.00 0.00 N ATOM 818 CA ASP A 53 -6.672 7.508 11.017 1.00 0.00 C ATOM 819 C ASP A 53 -6.955 6.578 12.187 1.00 0.00 C ATOM 820 O ASP A 53 -6.464 6.792 13.295 1.00 0.00 O ATOM 821 CB ASP A 53 -7.702 8.638 10.987 1.00 0.00 C ATOM 822 CG ASP A 53 -7.731 9.426 12.282 1.00 0.00 C ATOM 823 OD1 ASP A 53 -6.688 10.007 12.646 1.00 0.00 O ATOM 824 OD2 ASP A 53 -8.798 9.463 12.930 1.00 0.00 O ATOM 0 H ASP A 53 -7.517 6.885 9.193 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.678 7.931 11.158 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.475 9.311 10.160 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.691 8.220 10.796 1.00 0.00 H new ATOM 829 N ALA A 54 -7.765 5.561 11.943 1.00 0.00 N ATOM 830 CA ALA A 54 -8.132 4.613 12.985 1.00 0.00 C ATOM 831 C ALA A 54 -7.137 3.459 13.109 1.00 0.00 C ATOM 832 O ALA A 54 -7.126 2.762 14.124 1.00 0.00 O ATOM 833 CB ALA A 54 -9.525 4.071 12.717 1.00 0.00 C ATOM 0 H ALA A 54 -8.182 5.370 11.032 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.115 5.151 13.933 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.796 3.362 13.499 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.240 4.894 12.709 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.540 3.568 11.750 1.00 0.00 H new ATOM 839 N ALA A 55 -6.318 3.233 12.080 1.00 0.00 N ATOM 840 CA ALA A 55 -5.362 2.129 12.125 1.00 0.00 C ATOM 841 C ALA A 55 -3.927 2.554 11.831 1.00 0.00 C ATOM 842 O ALA A 55 -3.005 2.106 12.512 1.00 0.00 O ATOM 843 CB ALA A 55 -5.788 1.028 11.170 1.00 0.00 C ATOM 0 H ALA A 55 -6.297 3.787 11.224 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.369 1.757 13.150 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.068 0.211 11.212 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.773 0.659 11.456 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.829 1.423 10.155 1.00 0.00 H new ATOM 849 N ASP A 56 -3.722 3.396 10.821 1.00 0.00 N ATOM 850 CA ASP A 56 -2.369 3.827 10.487 1.00 0.00 C ATOM 851 C ASP A 56 -1.744 4.537 11.682 1.00 0.00 C ATOM 852 O ASP A 56 -1.977 5.725 11.908 1.00 0.00 O ATOM 853 CB ASP A 56 -2.353 4.735 9.254 1.00 0.00 C ATOM 854 CG ASP A 56 -0.971 4.830 8.638 1.00 0.00 C ATOM 855 OD1 ASP A 56 -0.389 3.771 8.331 1.00 0.00 O ATOM 856 OD2 ASP A 56 -0.473 5.958 8.454 1.00 0.00 O ATOM 0 H ASP A 56 -4.458 3.786 10.232 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.781 2.942 10.246 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.055 4.353 8.513 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.695 5.732 9.533 1.00 0.00 H new ATOM 861 N ILE A 57 -0.966 3.783 12.452 1.00 0.00 N ATOM 862 CA ILE A 57 -0.305 4.293 13.650 1.00 0.00 C ATOM 863 C ILE A 57 0.369 5.638 13.398 1.00 0.00 C ATOM 864 O ILE A 57 0.564 6.429 14.321 1.00 0.00 O ATOM 865 CB ILE A 57 0.758 3.297 14.150 1.00 0.00 C ATOM 866 CG1 ILE A 57 0.171 1.882 14.213 1.00 0.00 C ATOM 867 CG2 ILE A 57 1.292 3.721 15.511 1.00 0.00 C ATOM 868 CD1 ILE A 57 -0.985 1.738 15.182 1.00 0.00 C ATOM 0 H ILE A 57 -0.775 2.799 12.263 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.081 4.423 14.405 1.00 0.00 H new ATOM 0 HB ILE A 57 1.590 3.294 13.446 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.165 1.594 13.217 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.959 1.185 14.497 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.042 3.005 15.847 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.744 4.710 15.433 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.473 3.753 16.229 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.345 0.709 15.169 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.651 1.993 16.188 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.792 2.408 14.887 1.00 0.00 H new ATOM 880 N ASP A 58 0.727 5.886 12.146 1.00 0.00 N ATOM 881 CA ASP A 58 1.390 7.134 11.771 1.00 0.00 C ATOM 882 C ASP A 58 0.702 7.789 10.582 1.00 0.00 C ATOM 883 O ASP A 58 1.367 8.230 9.643 1.00 0.00 O ATOM 884 CB ASP A 58 2.867 6.883 11.446 1.00 0.00 C ATOM 885 CG ASP A 58 3.670 6.422 12.648 1.00 0.00 C ATOM 886 OD1 ASP A 58 3.095 6.336 13.753 1.00 0.00 O ATOM 887 OD2 ASP A 58 4.879 6.153 12.484 1.00 0.00 O ATOM 0 H ASP A 58 0.571 5.242 11.371 1.00 0.00 H new ATOM 0 HA ASP A 58 1.323 7.812 12.622 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.937 6.132 10.660 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.307 7.799 11.052 1.00 0.00 H new ATOM 892 N LYS A 59 -0.630 7.820 10.615 1.00 0.00 N ATOM 893 CA LYS A 59 -1.428 8.380 9.546 1.00 0.00 C ATOM 894 C LYS A 59 -0.764 9.556 8.852 1.00 0.00 C ATOM 895 O LYS A 59 -0.801 10.696 9.318 1.00 0.00 O ATOM 896 CB LYS A 59 -2.792 8.793 10.077 1.00 0.00 C ATOM 897 CG LYS A 59 -3.609 9.551 9.060 1.00 0.00 C ATOM 898 CD LYS A 59 -3.847 8.750 7.797 1.00 0.00 C ATOM 899 CE LYS A 59 -4.540 9.596 6.740 1.00 0.00 C ATOM 900 NZ LYS A 59 -4.721 8.860 5.460 1.00 0.00 N ATOM 0 H LYS A 59 -1.180 7.453 11.392 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.537 7.597 8.796 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.341 7.904 10.388 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.659 9.412 10.964 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.568 9.824 9.500 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.098 10.480 8.807 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.896 8.384 7.409 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.456 7.876 8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.513 9.916 7.114 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.956 10.498 6.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.503 9.491 4.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.082 8.040 5.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.705 8.533 5.384 1.00 0.00 H new ATOM 914 N SER A 60 -0.190 9.242 7.707 1.00 0.00 N ATOM 915 CA SER A 60 0.472 10.220 6.857 1.00 0.00 C ATOM 916 C SER A 60 -0.099 10.112 5.449 1.00 0.00 C ATOM 917 O SER A 60 0.419 10.696 4.496 1.00 0.00 O ATOM 918 CB SER A 60 1.984 9.981 6.838 1.00 0.00 C ATOM 919 OG SER A 60 2.291 8.692 6.337 1.00 0.00 O ATOM 0 H SER A 60 -0.168 8.293 7.335 1.00 0.00 H new ATOM 0 HA SER A 60 0.296 11.221 7.250 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.467 10.739 6.221 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.385 10.088 7.846 1.00 0.00 H new ATOM 0 HG SER A 60 3.263 8.565 6.334 1.00 0.00 H new ATOM 925 N GLY A 61 -1.173 9.333 5.342 1.00 0.00 N ATOM 926 CA GLY A 61 -1.826 9.112 4.066 1.00 0.00 C ATOM 927 C GLY A 61 -1.382 7.810 3.433 1.00 0.00 C ATOM 928 O GLY A 61 -1.913 7.396 2.395 1.00 0.00 O ATOM 0 H GLY A 61 -1.605 8.847 6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.907 9.099 4.207 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.602 9.940 3.393 1.00 0.00 H new ATOM 932 N THR A 62 -0.405 7.163 4.074 1.00 0.00 N ATOM 933 CA THR A 62 0.130 5.902 3.597 1.00 0.00 C ATOM 934 C THR A 62 0.420 4.965 4.763 1.00 0.00 C ATOM 935 O THR A 62 0.464 5.385 5.920 1.00 0.00 O ATOM 936 CB THR A 62 1.400 6.123 2.771 1.00 0.00 C ATOM 937 OG1 THR A 62 1.650 5.011 1.932 1.00 0.00 O ATOM 938 CG2 THR A 62 2.633 6.321 3.612 1.00 0.00 C ATOM 0 H THR A 62 0.030 7.503 4.932 1.00 0.00 H new ATOM 0 HA THR A 62 -0.622 5.441 2.956 1.00 0.00 H new ATOM 0 HB THR A 62 1.211 7.030 2.197 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.167 5.300 1.151 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.496 6.472 2.963 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.502 7.195 4.250 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.796 5.440 4.232 1.00 0.00 H new ATOM 946 N ILE A 63 0.615 3.693 4.444 1.00 0.00 N ATOM 947 CA ILE A 63 0.901 2.685 5.447 1.00 0.00 C ATOM 948 C ILE A 63 2.180 1.939 5.097 1.00 0.00 C ATOM 949 O ILE A 63 2.388 1.557 3.946 1.00 0.00 O ATOM 950 CB ILE A 63 -0.257 1.673 5.564 1.00 0.00 C ATOM 951 CG1 ILE A 63 -1.531 2.369 6.045 1.00 0.00 C ATOM 952 CG2 ILE A 63 0.117 0.532 6.498 1.00 0.00 C ATOM 953 CD1 ILE A 63 -2.758 1.486 5.998 1.00 0.00 C ATOM 0 H ILE A 63 0.579 3.336 3.489 1.00 0.00 H new ATOM 0 HA ILE A 63 1.022 3.195 6.403 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.447 1.254 4.576 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.382 2.715 7.068 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.706 3.253 5.432 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.714 -0.170 6.566 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.996 0.017 6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.338 0.930 7.488 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.623 2.046 6.353 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.933 1.160 4.973 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.604 0.614 6.634 1.00 0.00 H new ATOM 965 N ASP A 64 3.035 1.733 6.087 1.00 0.00 N ATOM 966 CA ASP A 64 4.288 1.031 5.867 1.00 0.00 C ATOM 967 C ASP A 64 4.225 -0.371 6.446 1.00 0.00 C ATOM 968 O ASP A 64 3.315 -0.693 7.207 1.00 0.00 O ATOM 969 CB ASP A 64 5.459 1.808 6.472 1.00 0.00 C ATOM 970 CG ASP A 64 5.298 2.038 7.963 1.00 0.00 C ATOM 971 OD1 ASP A 64 5.243 1.043 8.716 1.00 0.00 O ATOM 972 OD2 ASP A 64 5.225 3.214 8.376 1.00 0.00 O ATOM 0 H ASP A 64 2.884 2.041 7.048 1.00 0.00 H new ATOM 0 HA ASP A 64 4.448 0.953 4.792 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.385 1.262 6.290 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.551 2.770 5.968 1.00 0.00 H new ATOM 977 N TYR A 65 5.191 -1.199 6.063 1.00 0.00 N ATOM 978 CA TYR A 65 5.262 -2.582 6.522 1.00 0.00 C ATOM 979 C TYR A 65 4.808 -2.720 7.972 1.00 0.00 C ATOM 980 O TYR A 65 4.028 -3.611 8.302 1.00 0.00 O ATOM 981 CB TYR A 65 6.686 -3.113 6.383 1.00 0.00 C ATOM 982 CG TYR A 65 6.826 -4.549 6.825 1.00 0.00 C ATOM 983 CD1 TYR A 65 6.114 -5.560 6.194 1.00 0.00 C ATOM 984 CD2 TYR A 65 7.657 -4.890 7.883 1.00 0.00 C ATOM 985 CE1 TYR A 65 6.228 -6.873 6.604 1.00 0.00 C ATOM 986 CE2 TYR A 65 7.780 -6.199 8.298 1.00 0.00 C ATOM 987 CZ TYR A 65 7.062 -7.189 7.656 1.00 0.00 C ATOM 988 OH TYR A 65 7.182 -8.495 8.068 1.00 0.00 O ATOM 0 H TYR A 65 5.944 -0.932 5.429 1.00 0.00 H new ATOM 0 HA TYR A 65 4.588 -3.167 5.896 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.000 -3.027 5.343 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.359 -2.490 6.972 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.461 -5.315 5.369 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.216 -4.117 8.389 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.667 -7.649 6.104 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.434 -6.449 9.120 1.00 0.00 H new ATOM 0 HH TYR A 65 7.810 -8.545 8.819 1.00 0.00 H new ATOM 998 N GLY A 66 5.299 -1.835 8.831 1.00 0.00 N ATOM 999 CA GLY A 66 4.928 -1.885 10.232 1.00 0.00 C ATOM 1000 C GLY A 66 3.451 -1.615 10.450 1.00 0.00 C ATOM 1001 O GLY A 66 2.719 -2.486 10.919 1.00 0.00 O ATOM 0 H GLY A 66 5.945 -1.086 8.583 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.179 -2.866 10.636 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.514 -1.152 10.786 1.00 0.00 H new ATOM 1005 N GLU A 67 3.015 -0.405 10.108 1.00 0.00 N ATOM 1006 CA GLU A 67 1.619 -0.013 10.262 1.00 0.00 C ATOM 1007 C GLU A 67 0.676 -1.052 9.656 1.00 0.00 C ATOM 1008 O GLU A 67 -0.459 -1.210 10.106 1.00 0.00 O ATOM 1009 CB GLU A 67 1.392 1.340 9.594 1.00 0.00 C ATOM 1010 CG GLU A 67 2.310 2.435 10.109 1.00 0.00 C ATOM 1011 CD GLU A 67 2.189 3.715 9.307 1.00 0.00 C ATOM 1012 OE1 GLU A 67 2.550 3.703 8.112 1.00 0.00 O ATOM 1013 OE2 GLU A 67 1.719 4.724 9.868 1.00 0.00 O ATOM 0 H GLU A 67 3.614 0.324 9.720 1.00 0.00 H new ATOM 0 HA GLU A 67 1.402 0.057 11.328 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.535 1.233 8.519 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.356 1.643 9.749 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.076 2.640 11.154 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.342 2.085 10.077 1.00 0.00 H new ATOM 1020 N PHE A 68 1.150 -1.756 8.630 1.00 0.00 N ATOM 1021 CA PHE A 68 0.346 -2.773 7.961 1.00 0.00 C ATOM 1022 C PHE A 68 0.052 -3.935 8.888 1.00 0.00 C ATOM 1023 O PHE A 68 -1.102 -4.232 9.197 1.00 0.00 O ATOM 1024 CB PHE A 68 1.065 -3.314 6.734 1.00 0.00 C ATOM 1025 CG PHE A 68 0.180 -4.114 5.834 1.00 0.00 C ATOM 1026 CD1 PHE A 68 -0.858 -3.511 5.152 1.00 0.00 C ATOM 1027 CD2 PHE A 68 0.393 -5.471 5.669 1.00 0.00 C ATOM 1028 CE1 PHE A 68 -1.674 -4.250 4.318 1.00 0.00 C ATOM 1029 CE2 PHE A 68 -0.416 -6.215 4.837 1.00 0.00 C ATOM 1030 CZ PHE A 68 -1.451 -5.606 4.160 1.00 0.00 C ATOM 0 H PHE A 68 2.087 -1.640 8.245 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.587 -2.295 7.664 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.486 -2.481 6.171 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.901 -3.935 7.056 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.033 -2.452 5.272 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.202 -5.953 6.198 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.485 -3.770 3.790 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.239 -7.274 4.716 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.086 -6.186 3.508 1.00 0.00 H new ATOM 1040 N ILE A 69 1.118 -4.600 9.302 1.00 0.00 N ATOM 1041 CA ILE A 69 1.017 -5.756 10.170 1.00 0.00 C ATOM 1042 C ILE A 69 0.203 -5.450 11.425 1.00 0.00 C ATOM 1043 O ILE A 69 -0.698 -6.207 11.787 1.00 0.00 O ATOM 1044 CB ILE A 69 2.412 -6.263 10.576 1.00 0.00 C ATOM 1045 CG1 ILE A 69 3.347 -6.323 9.363 1.00 0.00 C ATOM 1046 CG2 ILE A 69 2.287 -7.632 11.199 1.00 0.00 C ATOM 1047 CD1 ILE A 69 2.848 -7.221 8.250 1.00 0.00 C ATOM 0 H ILE A 69 2.074 -4.353 9.045 1.00 0.00 H new ATOM 0 HA ILE A 69 0.502 -6.533 9.604 1.00 0.00 H new ATOM 0 HB ILE A 69 2.839 -5.569 11.299 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.483 -5.315 8.971 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.327 -6.673 9.688 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.275 -7.992 11.487 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.650 -7.573 12.082 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.845 -8.321 10.479 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.563 -7.212 7.427 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.739 -8.239 8.625 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.882 -6.860 7.896 1.00 0.00 H new ATOM 1059 N ALA A 70 0.520 -4.340 12.082 1.00 0.00 N ATOM 1060 CA ALA A 70 -0.190 -3.942 13.294 1.00 0.00 C ATOM 1061 C ALA A 70 -1.682 -3.775 13.021 1.00 0.00 C ATOM 1062 O ALA A 70 -2.522 -4.176 13.828 1.00 0.00 O ATOM 1063 CB ALA A 70 0.396 -2.653 13.849 1.00 0.00 C ATOM 0 H ALA A 70 1.262 -3.700 11.797 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.068 -4.731 14.036 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.143 -2.368 14.753 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.449 -2.805 14.087 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.303 -1.861 13.106 1.00 0.00 H new ATOM 1069 N ALA A 71 -1.999 -3.180 11.877 1.00 0.00 N ATOM 1070 CA ALA A 71 -3.385 -2.952 11.486 1.00 0.00 C ATOM 1071 C ALA A 71 -4.165 -4.263 11.422 1.00 0.00 C ATOM 1072 O ALA A 71 -5.200 -4.413 12.070 1.00 0.00 O ATOM 1073 CB ALA A 71 -3.443 -2.235 10.147 1.00 0.00 C ATOM 0 H ALA A 71 -1.312 -2.846 11.201 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.850 -2.323 12.245 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.484 -2.071 9.867 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.933 -1.275 10.226 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.954 -2.844 9.387 1.00 0.00 H new ATOM 1303 N VAL A 85 -20.882 1.432 8.881 1.00 0.00 N ATOM 1304 CA VAL A 85 -20.687 1.979 10.218 1.00 0.00 C ATOM 1305 C VAL A 85 -19.324 2.658 10.351 1.00 0.00 C ATOM 1306 O VAL A 85 -19.114 3.472 11.252 1.00 0.00 O ATOM 1307 CB VAL A 85 -20.831 0.882 11.290 1.00 0.00 C ATOM 1308 CG1 VAL A 85 -19.823 -0.232 11.057 1.00 0.00 C ATOM 1309 CG2 VAL A 85 -20.681 1.464 12.688 1.00 0.00 C ATOM 0 HA VAL A 85 -21.462 2.729 10.375 1.00 0.00 H new ATOM 0 HB VAL A 85 -21.832 0.458 11.209 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -19.942 -0.996 11.825 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -19.991 -0.675 10.075 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -18.813 0.175 11.104 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -20.787 0.669 13.426 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -19.697 1.923 12.787 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -21.451 2.217 12.853 1.00 0.00 H new ATOM 1319 N SER A 86 -18.405 2.317 9.448 1.00 0.00 N ATOM 1320 CA SER A 86 -17.060 2.892 9.456 1.00 0.00 C ATOM 1321 C SER A 86 -17.100 4.390 9.745 1.00 0.00 C ATOM 1322 O SER A 86 -16.571 4.848 10.758 1.00 0.00 O ATOM 1323 CB SER A 86 -16.366 2.638 8.116 1.00 0.00 C ATOM 1324 OG SER A 86 -15.064 3.196 8.101 1.00 0.00 O ATOM 0 H SER A 86 -18.568 1.643 8.700 1.00 0.00 H new ATOM 0 HA SER A 86 -16.494 2.406 10.251 1.00 0.00 H new ATOM 0 HB2 SER A 86 -16.307 1.565 7.931 1.00 0.00 H new ATOM 0 HB3 SER A 86 -16.959 3.069 7.309 1.00 0.00 H new ATOM 0 HG SER A 86 -15.109 4.122 7.783 1.00 0.00 H new ATOM 1330 N ALA A 87 -17.739 5.150 8.859 1.00 0.00 N ATOM 1331 CA ALA A 87 -17.849 6.593 9.042 1.00 0.00 C ATOM 1332 C ALA A 87 -18.846 6.915 10.147 1.00 0.00 C ATOM 1333 O ALA A 87 -18.646 7.851 10.915 1.00 0.00 O ATOM 1334 CB ALA A 87 -18.249 7.272 7.746 1.00 0.00 C ATOM 0 H ALA A 87 -18.185 4.793 8.014 1.00 0.00 H new ATOM 0 HA ALA A 87 -16.872 6.976 9.337 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -18.325 8.347 7.907 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -17.497 7.071 6.983 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -19.213 6.886 7.415 1.00 0.00 H new ATOM 1340 N PHE A 88 -19.910 6.117 10.233 1.00 0.00 N ATOM 1341 CA PHE A 88 -20.929 6.300 11.266 1.00 0.00 C ATOM 1342 C PHE A 88 -20.258 6.520 12.613 1.00 0.00 C ATOM 1343 O PHE A 88 -20.815 7.146 13.511 1.00 0.00 O ATOM 1344 CB PHE A 88 -21.833 5.072 11.320 1.00 0.00 C ATOM 1345 CG PHE A 88 -23.245 5.378 11.715 1.00 0.00 C ATOM 1346 CD1 PHE A 88 -24.020 6.219 10.937 1.00 0.00 C ATOM 1347 CD2 PHE A 88 -23.802 4.813 12.849 1.00 0.00 C ATOM 1348 CE1 PHE A 88 -25.322 6.496 11.281 1.00 0.00 C ATOM 1349 CE2 PHE A 88 -25.110 5.085 13.201 1.00 0.00 C ATOM 1350 CZ PHE A 88 -25.872 5.927 12.414 1.00 0.00 C ATOM 0 H PHE A 88 -20.089 5.338 9.600 1.00 0.00 H new ATOM 0 HA PHE A 88 -21.536 7.173 11.027 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -21.835 4.591 10.342 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -21.415 4.355 12.027 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -23.597 6.664 10.048 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -23.209 4.153 13.465 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -25.914 7.158 10.666 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -25.536 4.641 14.089 1.00 0.00 H new ATOM 0 HZ PHE A 88 -26.896 6.140 12.684 1.00 0.00 H new ATOM 1360 N SER A 89 -19.047 6.004 12.737 1.00 0.00 N ATOM 1361 CA SER A 89 -18.275 6.154 13.955 1.00 0.00 C ATOM 1362 C SER A 89 -17.425 7.424 13.908 1.00 0.00 C ATOM 1363 O SER A 89 -17.347 8.163 14.889 1.00 0.00 O ATOM 1364 CB SER A 89 -17.397 4.928 14.164 1.00 0.00 C ATOM 1365 OG SER A 89 -16.706 4.994 15.399 1.00 0.00 O ATOM 0 H SER A 89 -18.576 5.475 12.003 1.00 0.00 H new ATOM 0 HA SER A 89 -18.963 6.244 14.796 1.00 0.00 H new ATOM 0 HB2 SER A 89 -18.012 4.029 14.137 1.00 0.00 H new ATOM 0 HB3 SER A 89 -16.680 4.848 13.347 1.00 0.00 H new ATOM 0 HG SER A 89 -16.152 4.193 15.507 1.00 0.00 H new ATOM 1371 N TYR A 90 -16.786 7.670 12.760 1.00 0.00 N ATOM 1372 CA TYR A 90 -15.940 8.848 12.595 1.00 0.00 C ATOM 1373 C TYR A 90 -16.765 10.049 12.135 1.00 0.00 C ATOM 1374 O TYR A 90 -16.907 11.028 12.868 1.00 0.00 O ATOM 1375 CB TYR A 90 -14.840 8.559 11.579 1.00 0.00 C ATOM 1376 CG TYR A 90 -13.718 9.568 11.612 1.00 0.00 C ATOM 1377 CD1 TYR A 90 -12.763 9.532 12.620 1.00 0.00 C ATOM 1378 CD2 TYR A 90 -13.620 10.562 10.648 1.00 0.00 C ATOM 1379 CE1 TYR A 90 -11.740 10.458 12.666 1.00 0.00 C ATOM 1380 CE2 TYR A 90 -12.599 11.492 10.687 1.00 0.00 C ATOM 1381 CZ TYR A 90 -11.662 11.435 11.698 1.00 0.00 C ATOM 1382 OH TYR A 90 -10.644 12.361 11.740 1.00 0.00 O ATOM 0 H TYR A 90 -16.840 7.070 11.937 1.00 0.00 H new ATOM 0 HA TYR A 90 -15.491 9.086 13.559 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.432 7.566 11.768 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -15.274 8.541 10.579 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -12.822 8.767 13.380 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -14.353 10.609 9.856 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.005 10.417 13.456 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -12.535 12.260 9.930 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.733 12.979 10.985 1.00 0.00 H new ATOM 1392 N PHE A 91 -17.335 9.956 10.931 1.00 0.00 N ATOM 1393 CA PHE A 91 -18.178 11.024 10.400 1.00 0.00 C ATOM 1394 C PHE A 91 -19.306 11.293 11.386 1.00 0.00 C ATOM 1395 O PHE A 91 -19.411 12.388 11.940 1.00 0.00 O ATOM 1396 CB PHE A 91 -18.738 10.641 9.026 1.00 0.00 C ATOM 1397 CG PHE A 91 -17.734 10.725 7.907 1.00 0.00 C ATOM 1398 CD1 PHE A 91 -16.450 10.224 8.059 1.00 0.00 C ATOM 1399 CD2 PHE A 91 -18.082 11.306 6.697 1.00 0.00 C ATOM 1400 CE1 PHE A 91 -15.535 10.303 7.027 1.00 0.00 C ATOM 1401 CE2 PHE A 91 -17.169 11.388 5.663 1.00 0.00 C ATOM 1402 CZ PHE A 91 -15.895 10.885 5.828 1.00 0.00 C ATOM 0 H PHE A 91 -17.227 9.154 10.309 1.00 0.00 H new ATOM 0 HA PHE A 91 -17.583 11.928 10.271 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -19.127 9.624 9.075 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -19.580 11.293 8.794 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -16.162 9.767 8.994 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -19.079 11.699 6.561 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -14.538 9.909 7.158 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -17.452 11.845 4.727 1.00 0.00 H new ATOM 0 HZ PHE A 91 -15.180 10.946 5.021 1.00 0.00 H new ATOM 1412 N ASP A 92 -20.112 10.262 11.642 1.00 0.00 N ATOM 1413 CA ASP A 92 -21.193 10.351 12.620 1.00 0.00 C ATOM 1414 C ASP A 92 -20.570 10.207 14.006 1.00 0.00 C ATOM 1415 O ASP A 92 -20.921 9.314 14.772 1.00 0.00 O ATOM 1416 CB ASP A 92 -22.238 9.246 12.372 1.00 0.00 C ATOM 1417 CG ASP A 92 -23.374 9.658 11.459 1.00 0.00 C ATOM 1418 OD1 ASP A 92 -24.238 10.439 11.907 1.00 0.00 O ATOM 1419 OD2 ASP A 92 -23.402 9.196 10.300 1.00 0.00 O ATOM 0 H ASP A 92 -20.035 9.354 11.184 1.00 0.00 H new ATOM 0 HA ASP A 92 -21.709 11.308 12.535 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -21.738 8.379 11.942 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -22.653 8.932 13.330 1.00 0.00 H new ATOM 1424 N LYS A 93 -19.597 11.077 14.289 1.00 0.00 N ATOM 1425 CA LYS A 93 -18.863 11.058 15.545 1.00 0.00 C ATOM 1426 C LYS A 93 -19.800 11.040 16.744 1.00 0.00 C ATOM 1427 O LYS A 93 -19.570 10.308 17.708 1.00 0.00 O ATOM 1428 CB LYS A 93 -17.934 12.269 15.605 1.00 0.00 C ATOM 1429 CG LYS A 93 -16.895 12.194 16.710 1.00 0.00 C ATOM 1430 CD LYS A 93 -15.915 13.354 16.633 1.00 0.00 C ATOM 1431 CE LYS A 93 -15.099 13.312 15.348 1.00 0.00 C ATOM 1432 NZ LYS A 93 -14.257 12.087 15.266 1.00 0.00 N ATOM 0 H LYS A 93 -19.300 11.813 13.649 1.00 0.00 H new ATOM 0 HA LYS A 93 -18.273 10.143 15.587 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -17.424 12.371 14.647 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -18.534 13.168 15.744 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -17.393 12.200 17.680 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -16.352 11.252 16.637 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -16.460 14.296 16.688 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -15.245 13.323 17.492 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -15.770 13.349 14.490 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -14.462 14.195 15.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -13.561 12.195 14.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -13.760 11.946 16.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -14.861 11.263 15.071 1.00 0.00 H new ATOM 1446 N ASP A 94 -20.865 11.830 16.679 1.00 0.00 N ATOM 1447 CA ASP A 94 -21.834 11.871 17.764 1.00 0.00 C ATOM 1448 C ASP A 94 -22.556 10.533 17.826 1.00 0.00 C ATOM 1449 O ASP A 94 -23.116 10.155 18.856 1.00 0.00 O ATOM 1450 CB ASP A 94 -22.831 13.013 17.545 1.00 0.00 C ATOM 1451 CG ASP A 94 -23.816 13.163 18.689 1.00 0.00 C ATOM 1452 OD1 ASP A 94 -24.612 12.229 18.918 1.00 0.00 O ATOM 1453 OD2 ASP A 94 -23.794 14.219 19.356 1.00 0.00 O ATOM 0 H ASP A 94 -21.077 12.445 15.894 1.00 0.00 H new ATOM 0 HA ASP A 94 -21.322 12.051 18.709 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -22.284 13.947 17.418 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -23.380 12.837 16.620 1.00 0.00 H new ATOM 1458 N GLY A 95 -22.503 9.817 16.705 1.00 0.00 N ATOM 1459 CA GLY A 95 -23.116 8.515 16.601 1.00 0.00 C ATOM 1460 C GLY A 95 -24.490 8.481 17.213 1.00 0.00 C ATOM 1461 O GLY A 95 -24.754 7.750 18.169 1.00 0.00 O ATOM 0 H GLY A 95 -22.035 10.129 15.854 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -23.181 8.229 15.551 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -22.483 7.777 17.094 1.00 0.00 H new ATOM 1465 N SER A 96 -25.373 9.237 16.600 1.00 0.00 N ATOM 1466 CA SER A 96 -26.766 9.297 16.980 1.00 0.00 C ATOM 1467 C SER A 96 -27.530 8.828 15.766 1.00 0.00 C ATOM 1468 O SER A 96 -28.561 8.160 15.851 1.00 0.00 O ATOM 1469 CB SER A 96 -27.164 10.725 17.361 1.00 0.00 C ATOM 1470 OG SER A 96 -26.849 11.636 16.319 1.00 0.00 O ATOM 0 H SER A 96 -25.139 9.838 15.810 1.00 0.00 H new ATOM 0 HA SER A 96 -26.977 8.678 17.852 1.00 0.00 H new ATOM 0 HB2 SER A 96 -28.233 10.764 17.573 1.00 0.00 H new ATOM 0 HB3 SER A 96 -26.647 11.019 18.275 1.00 0.00 H new ATOM 0 HG SER A 96 -27.537 12.332 16.274 1.00 0.00 H new ATOM 1476 N GLY A 97 -26.949 9.179 14.626 1.00 0.00 N ATOM 1477 CA GLY A 97 -27.480 8.807 13.348 1.00 0.00 C ATOM 1478 C GLY A 97 -27.205 9.849 12.291 1.00 0.00 C ATOM 1479 O GLY A 97 -26.930 9.518 11.147 1.00 0.00 O ATOM 0 H GLY A 97 -26.093 9.732 14.576 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -27.047 7.856 13.039 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -28.556 8.654 13.434 1.00 0.00 H new ATOM 1483 N TYR A 98 -27.264 11.113 12.678 1.00 0.00 N ATOM 1484 CA TYR A 98 -27.014 12.202 11.742 1.00 0.00 C ATOM 1485 C TYR A 98 -25.697 12.921 12.010 1.00 0.00 C ATOM 1486 O TYR A 98 -25.091 12.779 13.072 1.00 0.00 O ATOM 1487 CB TYR A 98 -28.177 13.192 11.742 1.00 0.00 C ATOM 1488 CG TYR A 98 -28.735 13.509 13.110 1.00 0.00 C ATOM 1489 CD1 TYR A 98 -27.913 13.895 14.160 1.00 0.00 C ATOM 1490 CD2 TYR A 98 -30.101 13.427 13.342 1.00 0.00 C ATOM 1491 CE1 TYR A 98 -28.437 14.188 15.405 1.00 0.00 C ATOM 1492 CE2 TYR A 98 -30.632 13.720 14.579 1.00 0.00 C ATOM 1493 CZ TYR A 98 -29.798 14.099 15.609 1.00 0.00 C ATOM 1494 OH TYR A 98 -30.326 14.391 16.846 1.00 0.00 O ATOM 0 H TYR A 98 -27.482 11.411 13.629 1.00 0.00 H new ATOM 0 HA TYR A 98 -26.931 11.751 10.753 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -27.847 14.120 11.275 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -28.978 12.791 11.122 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -26.847 13.968 14.002 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -30.759 13.128 12.539 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -27.785 14.485 16.213 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -31.698 13.653 14.741 1.00 0.00 H new ATOM 0 HH TYR A 98 -31.299 14.280 16.821 1.00 0.00 H new ATOM 1504 N ILE A 99 -25.272 13.698 11.018 1.00 0.00 N ATOM 1505 CA ILE A 99 -24.036 14.465 11.092 1.00 0.00 C ATOM 1506 C ILE A 99 -24.252 15.902 10.644 1.00 0.00 C ATOM 1507 O ILE A 99 -24.312 16.168 9.450 1.00 0.00 O ATOM 1508 CB ILE A 99 -22.956 13.846 10.193 1.00 0.00 C ATOM 1509 CG1 ILE A 99 -22.681 12.416 10.595 1.00 0.00 C ATOM 1510 CG2 ILE A 99 -21.677 14.664 10.247 1.00 0.00 C ATOM 1511 CD1 ILE A 99 -21.828 11.685 9.589 1.00 0.00 C ATOM 0 H ILE A 99 -25.777 13.813 10.139 1.00 0.00 H new ATOM 0 HA ILE A 99 -23.715 14.448 12.133 1.00 0.00 H new ATOM 0 HB ILE A 99 -23.326 13.852 9.168 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -22.183 12.404 11.565 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -23.627 11.888 10.716 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -20.926 14.207 9.603 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -21.880 15.679 9.905 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -21.307 14.693 11.272 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -21.662 10.662 9.928 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -22.335 11.670 8.624 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -20.870 12.194 9.487 1.00 0.00 H new ATOM 1523 N THR A 100 -24.322 16.828 11.579 1.00 0.00 N ATOM 1524 CA THR A 100 -24.495 18.221 11.226 1.00 0.00 C ATOM 1525 C THR A 100 -23.202 18.745 10.628 1.00 0.00 C ATOM 1526 O THR A 100 -22.125 18.295 11.013 1.00 0.00 O ATOM 1527 CB THR A 100 -24.883 19.034 12.459 1.00 0.00 C ATOM 1528 OG1 THR A 100 -23.815 19.072 13.390 1.00 0.00 O ATOM 1529 CG2 THR A 100 -26.093 18.479 13.177 1.00 0.00 C ATOM 0 H THR A 100 -24.262 16.643 12.580 1.00 0.00 H new ATOM 0 HA THR A 100 -25.296 18.316 10.492 1.00 0.00 H new ATOM 0 HB THR A 100 -25.120 20.031 12.089 1.00 0.00 H new ATOM 0 HG1 THR A 100 -24.082 19.599 14.172 1.00 0.00 H new ATOM 0 HG21 THR A 100 -26.318 19.100 14.044 1.00 0.00 H new ATOM 0 HG22 THR A 100 -26.948 18.476 12.501 1.00 0.00 H new ATOM 0 HG23 THR A 100 -25.886 17.460 13.505 1.00 0.00 H new ATOM 1537 N LEU A 101 -23.305 19.662 9.665 1.00 0.00 N ATOM 1538 CA LEU A 101 -22.130 20.219 8.997 1.00 0.00 C ATOM 1539 C LEU A 101 -20.939 20.356 9.944 1.00 0.00 C ATOM 1540 O LEU A 101 -19.795 20.201 9.531 1.00 0.00 O ATOM 1541 CB LEU A 101 -22.473 21.597 8.451 1.00 0.00 C ATOM 1542 CG LEU A 101 -23.193 22.499 9.451 1.00 0.00 C ATOM 1543 CD1 LEU A 101 -22.831 23.957 9.215 1.00 0.00 C ATOM 1544 CD2 LEU A 101 -24.700 22.309 9.354 1.00 0.00 C ATOM 0 H LEU A 101 -24.193 20.035 9.330 1.00 0.00 H new ATOM 0 HA LEU A 101 -21.852 19.534 8.196 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -21.555 22.088 8.130 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -23.099 21.481 7.566 1.00 0.00 H new ATOM 0 HG LEU A 101 -22.871 22.220 10.454 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -23.354 24.583 9.938 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -21.755 24.088 9.332 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -23.124 24.246 8.206 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -25.196 22.960 10.074 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -25.034 22.560 8.347 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -24.951 21.271 9.571 1.00 0.00 H new ATOM 1556 N ASP A 102 -21.209 20.631 11.212 1.00 0.00 N ATOM 1557 CA ASP A 102 -20.147 20.763 12.198 1.00 0.00 C ATOM 1558 C ASP A 102 -19.294 19.497 12.202 1.00 0.00 C ATOM 1559 O ASP A 102 -18.080 19.546 11.986 1.00 0.00 O ATOM 1560 CB ASP A 102 -20.750 21.004 13.586 1.00 0.00 C ATOM 1561 CG ASP A 102 -19.721 21.468 14.597 1.00 0.00 C ATOM 1562 OD1 ASP A 102 -18.572 21.733 14.193 1.00 0.00 O ATOM 1563 OD2 ASP A 102 -20.070 21.580 15.791 1.00 0.00 O ATOM 0 H ASP A 102 -22.150 20.767 11.581 1.00 0.00 H new ATOM 0 HA ASP A 102 -19.517 21.614 11.940 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -21.541 21.750 13.510 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -21.213 20.084 13.941 1.00 0.00 H new ATOM 1568 N GLU A 103 -19.952 18.361 12.422 1.00 0.00 N ATOM 1569 CA GLU A 103 -19.282 17.067 12.432 1.00 0.00 C ATOM 1570 C GLU A 103 -18.744 16.724 11.046 1.00 0.00 C ATOM 1571 O GLU A 103 -17.758 16.002 10.919 1.00 0.00 O ATOM 1572 CB GLU A 103 -20.248 15.973 12.889 1.00 0.00 C ATOM 1573 CG GLU A 103 -20.695 16.101 14.336 1.00 0.00 C ATOM 1574 CD GLU A 103 -21.699 15.033 14.729 1.00 0.00 C ATOM 1575 OE1 GLU A 103 -21.367 13.834 14.616 1.00 0.00 O ATOM 1576 OE2 GLU A 103 -22.820 15.393 15.146 1.00 0.00 O ATOM 0 H GLU A 103 -20.956 18.313 12.597 1.00 0.00 H new ATOM 0 HA GLU A 103 -18.446 17.126 13.129 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -21.128 15.989 12.246 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -19.771 15.002 12.752 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -19.825 16.035 14.989 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -21.137 17.085 14.491 1.00 0.00 H new ATOM 1583 N ILE A 104 -19.399 17.243 10.010 1.00 0.00 N ATOM 1584 CA ILE A 104 -18.986 16.985 8.631 1.00 0.00 C ATOM 1585 C ILE A 104 -17.665 17.677 8.311 1.00 0.00 C ATOM 1586 O ILE A 104 -16.656 17.025 8.041 1.00 0.00 O ATOM 1587 CB ILE A 104 -20.054 17.469 7.624 1.00 0.00 C ATOM 1588 CG1 ILE A 104 -21.321 16.620 7.729 1.00 0.00 C ATOM 1589 CG2 ILE A 104 -19.509 17.432 6.202 1.00 0.00 C ATOM 1590 CD1 ILE A 104 -22.452 17.100 6.845 1.00 0.00 C ATOM 0 H ILE A 104 -20.218 17.845 10.098 1.00 0.00 H new ATOM 0 HA ILE A 104 -18.863 15.906 8.538 1.00 0.00 H new ATOM 0 HB ILE A 104 -20.308 18.500 7.870 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -21.080 15.590 7.467 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -21.659 16.615 8.765 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -20.277 17.777 5.509 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -18.637 18.082 6.130 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -19.223 16.411 5.948 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -23.316 16.448 6.974 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -22.722 18.119 7.121 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -22.134 17.078 5.803 1.00 0.00 H new ATOM 1602 N GLN A 105 -17.696 19.003 8.327 1.00 0.00 N ATOM 1603 CA GLN A 105 -16.526 19.817 8.026 1.00 0.00 C ATOM 1604 C GLN A 105 -15.307 19.369 8.831 1.00 0.00 C ATOM 1605 O GLN A 105 -14.237 19.137 8.267 1.00 0.00 O ATOM 1606 CB GLN A 105 -16.833 21.289 8.304 1.00 0.00 C ATOM 1607 CG GLN A 105 -18.085 21.800 7.604 1.00 0.00 C ATOM 1608 CD GLN A 105 -18.098 21.526 6.115 1.00 0.00 C ATOM 1609 OE1 GLN A 105 -17.893 22.566 5.313 1.00 0.00 O flip ATOM 1610 NE2 GLN A 105 -18.277 20.385 5.685 1.00 0.00 N flip ATOM 0 H GLN A 105 -18.532 19.544 8.549 1.00 0.00 H new ATOM 0 HA GLN A 105 -16.288 19.689 6.970 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -16.946 21.430 9.379 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -15.981 21.893 7.991 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -18.961 21.337 8.058 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -18.171 22.874 7.769 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -18.431 19.614 6.334 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -18.271 20.212 4.680 1.00 0.00 H new ATOM 1619 N GLN A 106 -15.465 19.258 10.148 1.00 0.00 N ATOM 1620 CA GLN A 106 -14.357 18.846 11.011 1.00 0.00 C ATOM 1621 C GLN A 106 -13.901 17.417 10.718 1.00 0.00 C ATOM 1622 O GLN A 106 -12.756 17.060 11.000 1.00 0.00 O ATOM 1623 CB GLN A 106 -14.739 18.971 12.486 1.00 0.00 C ATOM 1624 CG GLN A 106 -14.843 20.407 12.968 1.00 0.00 C ATOM 1625 CD GLN A 106 -15.047 20.501 14.467 1.00 0.00 C ATOM 1626 OE1 GLN A 106 -14.247 19.986 15.248 1.00 0.00 O ATOM 1627 NE2 GLN A 106 -16.117 21.168 14.877 1.00 0.00 N ATOM 0 H GLN A 106 -16.340 19.445 10.639 1.00 0.00 H new ATOM 0 HA GLN A 106 -13.525 19.517 10.796 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -15.694 18.472 12.649 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -13.999 18.447 13.090 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -13.936 20.946 12.693 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -15.673 20.899 12.460 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -16.754 21.579 14.195 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -16.303 21.270 15.875 1.00 0.00 H new ATOM 1636 N ALA A 107 -14.791 16.599 10.167 1.00 0.00 N ATOM 1637 CA ALA A 107 -14.454 15.210 9.858 1.00 0.00 C ATOM 1638 C ALA A 107 -13.677 15.099 8.551 1.00 0.00 C ATOM 1639 O ALA A 107 -13.204 14.019 8.193 1.00 0.00 O ATOM 1640 CB ALA A 107 -15.711 14.358 9.791 1.00 0.00 C ATOM 0 H ALA A 107 -15.745 16.869 9.926 1.00 0.00 H new ATOM 0 HA ALA A 107 -13.816 14.841 10.661 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -15.440 13.328 9.560 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -16.225 14.392 10.752 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -16.370 14.743 9.013 1.00 0.00 H new ATOM 1646 N CYS A 108 -13.551 16.213 7.839 1.00 0.00 N ATOM 1647 CA CYS A 108 -12.835 16.224 6.570 1.00 0.00 C ATOM 1648 C CYS A 108 -11.706 17.250 6.577 1.00 0.00 C ATOM 1649 O CYS A 108 -11.761 18.255 5.867 1.00 0.00 O ATOM 1650 CB CYS A 108 -13.803 16.510 5.421 1.00 0.00 C ATOM 1651 SG CYS A 108 -15.096 15.263 5.224 1.00 0.00 S ATOM 0 H CYS A 108 -13.934 17.116 8.118 1.00 0.00 H new ATOM 0 HA CYS A 108 -12.391 15.239 6.426 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -14.270 17.481 5.586 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -13.237 16.582 4.492 1.00 0.00 H new ATOM 0 HG CYS A 108 -16.027 15.460 6.110 1.00 0.00 H new ATOM 1657 N LYS A 109 -10.678 16.983 7.376 1.00 0.00 N ATOM 1658 CA LYS A 109 -9.526 17.873 7.469 1.00 0.00 C ATOM 1659 C LYS A 109 -8.532 17.581 6.352 1.00 0.00 C ATOM 1660 O LYS A 109 -7.849 18.481 5.861 1.00 0.00 O ATOM 1661 CB LYS A 109 -8.844 17.723 8.831 1.00 0.00 C ATOM 1662 CG LYS A 109 -9.687 18.219 9.995 1.00 0.00 C ATOM 1663 CD LYS A 109 -9.913 19.721 9.922 1.00 0.00 C ATOM 1664 CE LYS A 109 -10.757 20.215 11.085 1.00 0.00 C ATOM 1665 NZ LYS A 109 -10.950 21.692 11.043 1.00 0.00 N ATOM 0 H LYS A 109 -10.619 16.156 7.970 1.00 0.00 H new ATOM 0 HA LYS A 109 -9.878 18.899 7.363 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -8.601 16.673 8.992 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -7.901 18.270 8.818 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.648 17.705 9.994 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -9.194 17.970 10.935 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -8.952 20.235 9.925 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -10.405 19.971 8.982 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -11.728 19.721 11.064 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -10.279 19.938 12.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -11.204 22.036 11.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -10.068 22.149 10.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -11.712 21.924 10.375 1.00 0.00 H new ATOM 1679 N ASP A 110 -8.464 16.316 5.951 1.00 0.00 N ATOM 1680 CA ASP A 110 -7.562 15.895 4.886 1.00 0.00 C ATOM 1681 C ASP A 110 -8.190 16.148 3.520 1.00 0.00 C ATOM 1682 O ASP A 110 -7.555 15.949 2.484 1.00 0.00 O ATOM 1683 CB ASP A 110 -7.216 14.412 5.038 1.00 0.00 C ATOM 1684 CG ASP A 110 -6.517 14.111 6.351 1.00 0.00 C ATOM 1685 OD1 ASP A 110 -6.288 15.057 7.134 1.00 0.00 O ATOM 1686 OD2 ASP A 110 -6.196 12.929 6.595 1.00 0.00 O ATOM 0 H ASP A 110 -9.025 15.563 6.349 1.00 0.00 H new ATOM 0 HA ASP A 110 -6.646 16.481 4.961 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.129 13.820 4.972 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -6.576 14.105 4.211 1.00 0.00 H new ATOM 1691 N PHE A 111 -9.443 16.594 3.529 1.00 0.00 N ATOM 1692 CA PHE A 111 -10.163 16.882 2.294 1.00 0.00 C ATOM 1693 C PHE A 111 -10.016 18.350 1.926 1.00 0.00 C ATOM 1694 O PHE A 111 -10.777 18.876 1.114 1.00 0.00 O ATOM 1695 CB PHE A 111 -11.653 16.544 2.436 1.00 0.00 C ATOM 1696 CG PHE A 111 -11.946 15.087 2.690 1.00 0.00 C ATOM 1697 CD1 PHE A 111 -11.334 14.401 3.729 1.00 0.00 C ATOM 1698 CD2 PHE A 111 -12.847 14.406 1.885 1.00 0.00 C ATOM 1699 CE1 PHE A 111 -11.612 13.067 3.957 1.00 0.00 C ATOM 1700 CE2 PHE A 111 -13.128 13.072 2.109 1.00 0.00 C ATOM 1701 CZ PHE A 111 -12.511 12.402 3.147 1.00 0.00 C ATOM 0 H PHE A 111 -9.981 16.764 4.379 1.00 0.00 H new ATOM 0 HA PHE A 111 -9.733 16.263 1.506 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -12.069 17.132 3.254 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -12.170 16.852 1.527 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -10.632 14.916 4.367 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -13.335 14.925 1.073 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -11.127 12.545 4.768 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -13.830 12.553 1.473 1.00 0.00 H new ATOM 0 HZ PHE A 111 -12.731 11.360 3.325 1.00 0.00 H new ATOM 1711 N GLY A 112 -9.040 19.013 2.538 1.00 0.00 N ATOM 1712 CA GLY A 112 -8.830 20.420 2.265 1.00 0.00 C ATOM 1713 C GLY A 112 -9.880 21.281 2.936 1.00 0.00 C ATOM 1714 O GLY A 112 -10.323 22.276 2.367 1.00 0.00 O ATOM 0 H GLY A 112 -8.395 18.603 3.214 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.840 20.715 2.613 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.853 20.590 1.189 1.00 0.00 H new ATOM 1718 N LEU A 113 -10.283 20.877 4.143 1.00 0.00 N ATOM 1719 CA LEU A 113 -11.304 21.590 4.914 1.00 0.00 C ATOM 1720 C LEU A 113 -11.223 23.094 4.683 1.00 0.00 C ATOM 1721 O LEU A 113 -10.278 23.752 5.119 1.00 0.00 O ATOM 1722 CB LEU A 113 -11.151 21.259 6.410 1.00 0.00 C ATOM 1723 CG LEU A 113 -12.149 21.929 7.370 1.00 0.00 C ATOM 1724 CD1 LEU A 113 -11.766 23.377 7.642 1.00 0.00 C ATOM 1725 CD2 LEU A 113 -13.564 21.853 6.818 1.00 0.00 C ATOM 0 H LEU A 113 -9.913 20.050 4.612 1.00 0.00 H new ATOM 0 HA LEU A 113 -12.286 21.260 4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -11.236 20.179 6.530 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -10.143 21.536 6.719 1.00 0.00 H new ATOM 0 HG LEU A 113 -12.114 21.385 8.314 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -12.490 23.823 8.324 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -10.774 23.413 8.092 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -11.759 23.934 6.705 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -14.252 22.333 7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -13.607 22.363 5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -13.849 20.809 6.689 1.00 0.00 H new ATOM 1737 N ASP A 114 -12.224 23.631 3.988 1.00 0.00 N ATOM 1738 CA ASP A 114 -12.263 25.060 3.699 1.00 0.00 C ATOM 1739 C ASP A 114 -13.671 25.526 3.343 1.00 0.00 C ATOM 1740 O ASP A 114 -14.630 24.756 3.411 1.00 0.00 O ATOM 1741 CB ASP A 114 -11.290 25.401 2.569 1.00 0.00 C ATOM 1742 CG ASP A 114 -11.734 24.841 1.232 1.00 0.00 C ATOM 1743 OD1 ASP A 114 -12.042 23.634 1.163 1.00 0.00 O ATOM 1744 OD2 ASP A 114 -11.761 25.610 0.252 1.00 0.00 O ATOM 0 H ASP A 114 -13.013 23.101 3.618 1.00 0.00 H new ATOM 0 HA ASP A 114 -11.959 25.587 4.603 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -11.193 26.484 2.492 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -10.303 25.009 2.813 1.00 0.00 H new ATOM 1749 N ASP A 115 -13.785 26.802 2.985 1.00 0.00 N ATOM 1750 CA ASP A 115 -15.072 27.397 2.643 1.00 0.00 C ATOM 1751 C ASP A 115 -15.409 27.266 1.157 1.00 0.00 C ATOM 1752 O ASP A 115 -16.523 27.585 0.743 1.00 0.00 O ATOM 1753 CB ASP A 115 -15.092 28.871 3.053 1.00 0.00 C ATOM 1754 CG ASP A 115 -13.980 29.672 2.404 1.00 0.00 C ATOM 1755 OD1 ASP A 115 -13.957 29.758 1.158 1.00 0.00 O ATOM 1756 OD2 ASP A 115 -13.129 30.212 3.141 1.00 0.00 O ATOM 0 H ASP A 115 -12.997 27.446 2.924 1.00 0.00 H new ATOM 0 HA ASP A 115 -15.834 26.846 3.194 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -16.054 29.306 2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -15.002 28.944 4.137 1.00 0.00 H new ATOM 1761 N ILE A 116 -14.452 26.816 0.352 1.00 0.00 N ATOM 1762 CA ILE A 116 -14.685 26.678 -1.083 1.00 0.00 C ATOM 1763 C ILE A 116 -15.415 25.378 -1.420 1.00 0.00 C ATOM 1764 O ILE A 116 -16.539 25.402 -1.920 1.00 0.00 O ATOM 1765 CB ILE A 116 -13.366 26.734 -1.878 1.00 0.00 C ATOM 1766 CG1 ILE A 116 -12.604 28.020 -1.548 1.00 0.00 C ATOM 1767 CG2 ILE A 116 -13.644 26.641 -3.373 1.00 0.00 C ATOM 1768 CD1 ILE A 116 -11.253 28.122 -2.233 1.00 0.00 C ATOM 0 H ILE A 116 -13.519 26.544 0.662 1.00 0.00 H new ATOM 0 HA ILE A 116 -15.314 27.520 -1.371 1.00 0.00 H new ATOM 0 HB ILE A 116 -12.747 25.884 -1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -13.213 28.877 -1.836 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -12.460 28.080 -0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -12.703 26.682 -3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -14.150 25.701 -3.591 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -14.278 27.474 -3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -10.772 29.059 -1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -10.625 27.285 -1.926 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -11.390 28.095 -3.314 1.00 0.00 H new ATOM 1780 N HIS A 117 -14.766 24.246 -1.161 1.00 0.00 N ATOM 1781 CA HIS A 117 -15.357 22.943 -1.458 1.00 0.00 C ATOM 1782 C HIS A 117 -16.132 22.368 -0.282 1.00 0.00 C ATOM 1783 O HIS A 117 -17.353 22.233 -0.339 1.00 0.00 O ATOM 1784 CB HIS A 117 -14.273 21.953 -1.873 1.00 0.00 C ATOM 1785 CG HIS A 117 -13.947 21.993 -3.329 1.00 0.00 C ATOM 1786 ND1 HIS A 117 -13.450 23.108 -3.970 1.00 0.00 N ATOM 1787 CD2 HIS A 117 -14.061 21.035 -4.274 1.00 0.00 C ATOM 1788 CE1 HIS A 117 -13.271 22.832 -5.250 1.00 0.00 C ATOM 1789 NE2 HIS A 117 -13.636 21.580 -5.461 1.00 0.00 N ATOM 0 H HIS A 117 -13.834 24.204 -0.748 1.00 0.00 H new ATOM 0 HA HIS A 117 -16.060 23.100 -2.276 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -13.368 22.159 -1.302 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -14.594 20.945 -1.609 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -14.420 20.027 -4.124 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -12.891 23.514 -5.996 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -13.607 21.097 -6.359 1.00 0.00 H new ATOM 1798 N ILE A 118 -15.402 21.995 0.762 1.00 0.00 N ATOM 1799 CA ILE A 118 -15.992 21.389 1.947 1.00 0.00 C ATOM 1800 C ILE A 118 -17.315 22.043 2.363 1.00 0.00 C ATOM 1801 O ILE A 118 -18.230 21.354 2.815 1.00 0.00 O ATOM 1802 CB ILE A 118 -14.994 21.411 3.120 1.00 0.00 C ATOM 1803 CG1 ILE A 118 -13.804 20.507 2.806 1.00 0.00 C ATOM 1804 CG2 ILE A 118 -15.661 20.962 4.406 1.00 0.00 C ATOM 1805 CD1 ILE A 118 -14.183 19.044 2.718 1.00 0.00 C ATOM 0 H ILE A 118 -14.389 22.104 0.810 1.00 0.00 H new ATOM 0 HA ILE A 118 -16.221 20.357 1.683 1.00 0.00 H new ATOM 0 HB ILE A 118 -14.644 22.434 3.255 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -13.356 20.819 1.862 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -13.044 20.635 3.577 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -14.936 20.986 5.220 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -16.490 21.631 4.639 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -16.037 19.946 4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -13.296 18.451 2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -14.604 18.719 3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -14.922 18.906 1.928 1.00 0.00 H new ATOM 1817 N ASP A 119 -17.430 23.361 2.209 1.00 0.00 N ATOM 1818 CA ASP A 119 -18.666 24.056 2.574 1.00 0.00 C ATOM 1819 C ASP A 119 -19.782 23.728 1.593 1.00 0.00 C ATOM 1820 O ASP A 119 -20.865 23.304 1.995 1.00 0.00 O ATOM 1821 CB ASP A 119 -18.463 25.569 2.649 1.00 0.00 C ATOM 1822 CG ASP A 119 -17.699 25.992 3.888 1.00 0.00 C ATOM 1823 OD1 ASP A 119 -17.195 25.105 4.609 1.00 0.00 O ATOM 1824 OD2 ASP A 119 -17.600 27.212 4.136 1.00 0.00 O ATOM 0 H ASP A 119 -16.694 23.963 1.839 1.00 0.00 H new ATOM 0 HA ASP A 119 -18.952 23.704 3.565 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -17.925 25.904 1.762 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -19.434 26.064 2.639 1.00 0.00 H new ATOM 1829 N ASP A 120 -19.511 23.905 0.301 1.00 0.00 N ATOM 1830 CA ASP A 120 -20.501 23.595 -0.723 1.00 0.00 C ATOM 1831 C ASP A 120 -20.911 22.136 -0.591 1.00 0.00 C ATOM 1832 O ASP A 120 -21.999 21.740 -0.997 1.00 0.00 O ATOM 1833 CB ASP A 120 -19.935 23.863 -2.119 1.00 0.00 C ATOM 1834 CG ASP A 120 -19.543 25.315 -2.321 1.00 0.00 C ATOM 1835 OD1 ASP A 120 -19.719 26.116 -1.379 1.00 0.00 O ATOM 1836 OD2 ASP A 120 -19.058 25.650 -3.422 1.00 0.00 O ATOM 0 H ASP A 120 -18.623 24.258 -0.057 1.00 0.00 H new ATOM 0 HA ASP A 120 -21.373 24.234 -0.585 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -19.063 23.229 -2.281 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -20.676 23.583 -2.867 1.00 0.00 H new ATOM 1841 N MET A 121 -20.012 21.362 0.009 1.00 0.00 N ATOM 1842 CA MET A 121 -20.201 19.947 0.258 1.00 0.00 C ATOM 1843 C MET A 121 -21.339 19.720 1.246 1.00 0.00 C ATOM 1844 O MET A 121 -22.117 18.780 1.102 1.00 0.00 O ATOM 1845 CB MET A 121 -18.889 19.359 0.769 1.00 0.00 C ATOM 1846 CG MET A 121 -19.059 18.145 1.653 1.00 0.00 C ATOM 1847 SD MET A 121 -17.535 17.198 1.823 1.00 0.00 S ATOM 1848 CE MET A 121 -17.412 17.071 3.603 1.00 0.00 C ATOM 0 H MET A 121 -19.114 21.714 0.341 1.00 0.00 H new ATOM 0 HA MET A 121 -20.479 19.443 -0.667 1.00 0.00 H new ATOM 0 HB2 MET A 121 -18.267 19.089 -0.085 1.00 0.00 H new ATOM 0 HB3 MET A 121 -18.351 20.127 1.325 1.00 0.00 H new ATOM 0 HG2 MET A 121 -19.398 18.462 2.639 1.00 0.00 H new ATOM 0 HG3 MET A 121 -19.837 17.504 1.239 1.00 0.00 H new ATOM 0 HE1 MET A 121 -16.398 17.319 3.916 1.00 0.00 H new ATOM 0 HE2 MET A 121 -18.114 17.764 4.067 1.00 0.00 H new ATOM 0 HE3 MET A 121 -17.649 16.053 3.912 1.00 0.00 H new ATOM 1858 N ILE A 122 -21.455 20.615 2.219 1.00 0.00 N ATOM 1859 CA ILE A 122 -22.531 20.551 3.202 1.00 0.00 C ATOM 1860 C ILE A 122 -23.839 20.573 2.459 1.00 0.00 C ATOM 1861 O ILE A 122 -24.744 19.780 2.717 1.00 0.00 O ATOM 1862 CB ILE A 122 -22.473 21.775 4.125 1.00 0.00 C ATOM 1863 CG1 ILE A 122 -21.079 21.913 4.720 1.00 0.00 C ATOM 1864 CG2 ILE A 122 -23.526 21.689 5.215 1.00 0.00 C ATOM 1865 CD1 ILE A 122 -20.908 23.137 5.595 1.00 0.00 C ATOM 0 H ILE A 122 -20.814 21.398 2.349 1.00 0.00 H new ATOM 0 HA ILE A 122 -22.432 19.645 3.801 1.00 0.00 H new ATOM 0 HB ILE A 122 -22.688 22.665 3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -20.855 21.023 5.308 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -20.350 21.952 3.910 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -23.461 22.570 5.854 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -24.516 21.642 4.762 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -23.358 20.794 5.813 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -19.890 23.168 5.983 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -21.099 24.034 5.007 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -21.612 23.091 6.426 1.00 0.00 H new ATOM 1877 N LYS A 123 -23.902 21.488 1.510 1.00 0.00 N ATOM 1878 CA LYS A 123 -25.064 21.641 0.675 1.00 0.00 C ATOM 1879 C LYS A 123 -25.000 20.643 -0.478 1.00 0.00 C ATOM 1880 O LYS A 123 -25.980 20.433 -1.193 1.00 0.00 O ATOM 1881 CB LYS A 123 -25.134 23.069 0.139 1.00 0.00 C ATOM 1882 CG LYS A 123 -25.270 24.145 1.213 1.00 0.00 C ATOM 1883 CD LYS A 123 -26.651 24.157 1.859 1.00 0.00 C ATOM 1884 CE LYS A 123 -26.811 23.055 2.897 1.00 0.00 C ATOM 1885 NZ LYS A 123 -28.142 23.110 3.563 1.00 0.00 N ATOM 0 H LYS A 123 -23.147 22.142 1.302 1.00 0.00 H new ATOM 0 HA LYS A 123 -25.961 21.446 1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -24.235 23.268 -0.445 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -25.981 23.146 -0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -24.515 23.983 1.982 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -25.071 25.121 0.771 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -26.821 25.125 2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -27.412 24.040 1.087 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -26.684 22.084 2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -26.025 23.146 3.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -28.016 23.315 4.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -28.718 23.858 3.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -28.623 22.195 3.453 1.00 0.00 H new ATOM 1899 N GLU A 124 -23.820 20.048 -0.657 1.00 0.00 N ATOM 1900 CA GLU A 124 -23.591 19.087 -1.730 1.00 0.00 C ATOM 1901 C GLU A 124 -23.946 17.659 -1.320 1.00 0.00 C ATOM 1902 O GLU A 124 -24.141 16.795 -2.176 1.00 0.00 O ATOM 1903 CB GLU A 124 -22.136 19.142 -2.201 1.00 0.00 C ATOM 1904 CG GLU A 124 -21.748 18.017 -3.148 1.00 0.00 C ATOM 1905 CD GLU A 124 -20.406 18.249 -3.814 1.00 0.00 C ATOM 1906 OE1 GLU A 124 -19.395 18.362 -3.090 1.00 0.00 O ATOM 1907 OE2 GLU A 124 -20.367 18.317 -5.061 1.00 0.00 O ATOM 0 H GLU A 124 -23.005 20.218 -0.067 1.00 0.00 H new ATOM 0 HA GLU A 124 -24.252 19.370 -2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -21.962 20.097 -2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -21.482 19.111 -1.330 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -21.717 17.077 -2.596 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -22.516 17.912 -3.914 1.00 0.00 H new ATOM 1914 N ILE A 125 -24.020 17.402 -0.019 1.00 0.00 N ATOM 1915 CA ILE A 125 -24.335 16.062 0.451 1.00 0.00 C ATOM 1916 C ILE A 125 -25.739 15.978 1.022 1.00 0.00 C ATOM 1917 O ILE A 125 -26.501 15.089 0.655 1.00 0.00 O ATOM 1918 CB ILE A 125 -23.345 15.584 1.518 1.00 0.00 C ATOM 1919 CG1 ILE A 125 -21.912 15.654 0.985 1.00 0.00 C ATOM 1920 CG2 ILE A 125 -23.701 14.167 1.925 1.00 0.00 C ATOM 1921 CD1 ILE A 125 -20.864 15.285 2.015 1.00 0.00 C ATOM 0 H ILE A 125 -23.869 18.092 0.717 1.00 0.00 H new ATOM 0 HA ILE A 125 -24.262 15.416 -0.424 1.00 0.00 H new ATOM 0 HB ILE A 125 -23.407 16.233 2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -21.819 14.986 0.128 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -21.716 16.664 0.625 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -23.000 13.820 2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -24.713 14.148 2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -23.646 13.514 1.054 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -19.873 15.357 1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -20.930 15.968 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -21.034 14.264 2.358 1.00 0.00 H new ATOM 1933 N ASP A 126 -26.069 16.893 1.927 1.00 0.00 N ATOM 1934 CA ASP A 126 -27.364 16.911 2.552 1.00 0.00 C ATOM 1935 C ASP A 126 -28.463 16.752 1.515 1.00 0.00 C ATOM 1936 O ASP A 126 -28.831 17.691 0.809 1.00 0.00 O ATOM 1937 CB ASP A 126 -27.506 18.207 3.323 1.00 0.00 C ATOM 1938 CG ASP A 126 -27.776 19.407 2.436 1.00 0.00 C ATOM 1939 OD1 ASP A 126 -27.004 19.624 1.482 1.00 0.00 O ATOM 1940 OD2 ASP A 126 -28.762 20.127 2.696 1.00 0.00 O ATOM 0 H ASP A 126 -25.442 17.635 2.239 1.00 0.00 H new ATOM 0 HA ASP A 126 -27.459 16.073 3.242 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -28.318 18.106 4.043 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -26.594 18.384 3.894 1.00 0.00 H new ATOM 1945 N GLN A 127 -28.966 15.537 1.414 1.00 0.00 N ATOM 1946 CA GLN A 127 -30.004 15.231 0.450 1.00 0.00 C ATOM 1947 C GLN A 127 -31.382 15.509 1.027 1.00 0.00 C ATOM 1948 O GLN A 127 -32.374 15.458 0.299 1.00 0.00 O ATOM 1949 CB GLN A 127 -29.932 13.766 -0.009 1.00 0.00 C ATOM 1950 CG GLN A 127 -28.541 13.150 0.049 1.00 0.00 C ATOM 1951 CD GLN A 127 -28.111 12.818 1.464 1.00 0.00 C ATOM 1952 OE1 GLN A 127 -28.997 13.064 2.425 1.00 0.00 O flip ATOM 1953 NE2 GLN A 127 -26.999 12.342 1.693 1.00 0.00 N flip ATOM 0 H GLN A 127 -28.673 14.746 1.988 1.00 0.00 H new ATOM 0 HA GLN A 127 -29.838 15.877 -0.412 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -30.604 13.172 0.610 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -30.301 13.701 -1.033 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -28.524 12.243 -0.555 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -27.823 13.841 -0.393 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -26.350 12.169 0.925 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -26.727 12.120 2.651 1.00 0.00 H new ATOM 1962 N ASP A 128 -31.470 15.778 2.334 1.00 0.00 N ATOM 1963 CA ASP A 128 -32.784 16.018 2.916 1.00 0.00 C ATOM 1964 C ASP A 128 -32.979 17.425 3.498 1.00 0.00 C ATOM 1965 O ASP A 128 -34.097 17.939 3.418 1.00 0.00 O ATOM 1966 CB ASP A 128 -33.066 14.972 3.999 1.00 0.00 C ATOM 1967 CG ASP A 128 -32.033 14.984 5.108 1.00 0.00 C ATOM 1968 OD1 ASP A 128 -31.110 15.821 5.050 1.00 0.00 O ATOM 1969 OD2 ASP A 128 -32.151 14.158 6.036 1.00 0.00 O ATOM 0 H ASP A 128 -30.683 15.833 2.980 1.00 0.00 H new ATOM 0 HA ASP A 128 -33.493 15.935 2.092 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -34.053 15.154 4.425 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -33.093 13.982 3.544 1.00 0.00 H new ATOM 1974 N ASN A 129 -31.943 18.082 4.064 1.00 0.00 N ATOM 1975 CA ASN A 129 -32.177 19.437 4.597 1.00 0.00 C ATOM 1976 C ASN A 129 -30.974 20.175 5.228 1.00 0.00 C ATOM 1977 O ASN A 129 -30.418 21.109 4.650 1.00 0.00 O ATOM 1978 CB ASN A 129 -33.335 19.417 5.610 1.00 0.00 C ATOM 1979 CG ASN A 129 -33.209 18.341 6.684 1.00 0.00 C ATOM 1980 OD1 ASN A 129 -32.149 17.543 6.629 1.00 0.00 O flip ATOM 1981 ND2 ASN A 129 -34.063 18.233 7.562 1.00 0.00 N flip ATOM 0 H ASN A 129 -30.993 17.723 4.160 1.00 0.00 H new ATOM 0 HA ASN A 129 -32.411 20.014 3.702 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -33.396 20.392 6.094 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -34.271 19.269 5.072 1.00 0.00 H new ATOM 0 HD21 ASN A 129 -34.865 18.863 7.574 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -33.970 17.513 8.278 1.00 0.00 H new ATOM 1988 N ASP A 130 -30.711 19.828 6.489 1.00 0.00 N ATOM 1989 CA ASP A 130 -29.732 20.500 7.360 1.00 0.00 C ATOM 1990 C ASP A 130 -28.241 20.457 6.994 1.00 0.00 C ATOM 1991 O ASP A 130 -27.422 20.650 7.896 1.00 0.00 O ATOM 1992 CB ASP A 130 -29.882 19.904 8.760 1.00 0.00 C ATOM 1993 CG ASP A 130 -31.249 20.164 9.356 1.00 0.00 C ATOM 1994 OD1 ASP A 130 -31.609 21.348 9.522 1.00 0.00 O ATOM 1995 OD2 ASP A 130 -31.961 19.182 9.656 1.00 0.00 O ATOM 0 H ASP A 130 -31.184 19.051 6.950 1.00 0.00 H new ATOM 0 HA ASP A 130 -29.983 21.556 7.256 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -29.707 18.829 8.715 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -29.118 20.324 9.414 1.00 0.00 H new ATOM 2000 N GLY A 131 -27.836 20.245 5.744 1.00 0.00 N ATOM 2001 CA GLY A 131 -26.403 20.247 5.500 1.00 0.00 C ATOM 2002 C GLY A 131 -25.742 19.225 6.389 1.00 0.00 C ATOM 2003 O GLY A 131 -24.682 19.465 6.980 1.00 0.00 O ATOM 0 H GLY A 131 -28.436 20.080 4.935 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -26.201 20.020 4.453 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -25.991 21.237 5.696 1.00 0.00 H new ATOM 2007 N GLN A 132 -26.434 18.110 6.546 1.00 0.00 N ATOM 2008 CA GLN A 132 -25.999 17.052 7.423 1.00 0.00 C ATOM 2009 C GLN A 132 -26.065 15.701 6.746 1.00 0.00 C ATOM 2010 O GLN A 132 -26.686 15.545 5.696 1.00 0.00 O ATOM 2011 CB GLN A 132 -26.887 17.014 8.659 1.00 0.00 C ATOM 2012 CG GLN A 132 -28.308 16.584 8.348 1.00 0.00 C ATOM 2013 CD GLN A 132 -29.069 16.144 9.580 1.00 0.00 C ATOM 2014 OE1 GLN A 132 -29.285 14.838 9.686 1.00 0.00 O flip ATOM 2015 NE2 GLN A 132 -29.433 16.955 10.431 1.00 0.00 N flip ATOM 0 H GLN A 132 -27.313 17.918 6.066 1.00 0.00 H new ATOM 0 HA GLN A 132 -24.964 17.257 7.695 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -26.456 16.329 9.389 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -26.904 18.002 9.120 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -28.838 17.411 7.875 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -28.286 15.766 7.628 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -29.243 17.949 10.303 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -29.925 16.633 11.265 1.00 0.00 H new ATOM 2024 N ILE A 133 -25.442 14.722 7.383 1.00 0.00 N ATOM 2025 CA ILE A 133 -25.441 13.371 6.895 1.00 0.00 C ATOM 2026 C ILE A 133 -25.944 12.437 7.983 1.00 0.00 C ATOM 2027 O ILE A 133 -25.318 12.269 9.024 1.00 0.00 O ATOM 2028 CB ILE A 133 -24.048 12.944 6.435 1.00 0.00 C ATOM 2029 CG1 ILE A 133 -23.605 13.830 5.275 1.00 0.00 C ATOM 2030 CG2 ILE A 133 -24.046 11.480 6.037 1.00 0.00 C ATOM 2031 CD1 ILE A 133 -22.369 13.322 4.581 1.00 0.00 C ATOM 0 H ILE A 133 -24.925 14.852 8.253 1.00 0.00 H new ATOM 0 HA ILE A 133 -26.104 13.318 6.032 1.00 0.00 H new ATOM 0 HB ILE A 133 -23.342 13.063 7.257 1.00 0.00 H new ATOM 0 HG12 ILE A 133 -24.417 13.903 4.551 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -23.418 14.837 5.646 1.00 0.00 H new ATOM 0 HG21 ILE A 133 -23.046 11.193 5.712 1.00 0.00 H new ATOM 0 HG22 ILE A 133 -24.339 10.870 6.892 1.00 0.00 H new ATOM 0 HG23 ILE A 133 -24.752 11.324 5.221 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -22.106 13.996 3.766 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -21.545 13.275 5.293 1.00 0.00 H new ATOM 0 HD13 ILE A 133 -22.560 12.326 4.181 1.00 0.00 H new ATOM 2043 N ASP A 134 -27.065 11.814 7.705 1.00 0.00 N ATOM 2044 CA ASP A 134 -27.682 10.871 8.620 1.00 0.00 C ATOM 2045 C ASP A 134 -27.453 9.457 8.123 1.00 0.00 C ATOM 2046 O ASP A 134 -27.136 9.257 6.960 1.00 0.00 O ATOM 2047 CB ASP A 134 -29.186 11.149 8.725 1.00 0.00 C ATOM 2048 CG ASP A 134 -29.884 10.248 9.724 1.00 0.00 C ATOM 2049 OD1 ASP A 134 -29.569 10.340 10.928 1.00 0.00 O ATOM 2050 OD2 ASP A 134 -30.748 9.451 9.302 1.00 0.00 O ATOM 0 H ASP A 134 -27.580 11.945 6.835 1.00 0.00 H new ATOM 0 HA ASP A 134 -27.233 10.984 9.607 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -29.339 12.189 9.013 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -29.644 11.019 7.744 1.00 0.00 H new ATOM 2055 N TYR A 135 -27.616 8.484 9.004 1.00 0.00 N ATOM 2056 CA TYR A 135 -27.436 7.085 8.640 1.00 0.00 C ATOM 2057 C TYR A 135 -28.021 6.805 7.258 1.00 0.00 C ATOM 2058 O TYR A 135 -27.490 5.992 6.501 1.00 0.00 O ATOM 2059 CB TYR A 135 -28.082 6.201 9.699 1.00 0.00 C ATOM 2060 CG TYR A 135 -28.256 4.755 9.283 1.00 0.00 C ATOM 2061 CD1 TYR A 135 -27.157 3.923 9.091 1.00 0.00 C ATOM 2062 CD2 TYR A 135 -29.523 4.225 9.075 1.00 0.00 C ATOM 2063 CE1 TYR A 135 -27.319 2.605 8.706 1.00 0.00 C ATOM 2064 CE2 TYR A 135 -29.692 2.908 8.691 1.00 0.00 C ATOM 2065 CZ TYR A 135 -28.587 2.103 8.508 1.00 0.00 C ATOM 2066 OH TYR A 135 -28.750 0.791 8.125 1.00 0.00 O ATOM 0 H TYR A 135 -27.873 8.636 9.979 1.00 0.00 H new ATOM 0 HA TYR A 135 -26.370 6.860 8.594 1.00 0.00 H new ATOM 0 HB2 TYR A 135 -27.475 6.236 10.604 1.00 0.00 H new ATOM 0 HB3 TYR A 135 -29.058 6.614 9.954 1.00 0.00 H new ATOM 0 HD1 TYR A 135 -26.162 4.313 9.245 1.00 0.00 H new ATOM 0 HD2 TYR A 135 -30.391 4.853 9.216 1.00 0.00 H new ATOM 0 HE1 TYR A 135 -26.456 1.972 8.561 1.00 0.00 H new ATOM 0 HE2 TYR A 135 -30.684 2.511 8.535 1.00 0.00 H new ATOM 0 HH TYR A 135 -29.705 0.594 8.029 1.00 0.00 H new ATOM 2076 N GLY A 136 -29.095 7.516 6.922 1.00 0.00 N ATOM 2077 CA GLY A 136 -29.706 7.362 5.618 1.00 0.00 C ATOM 2078 C GLY A 136 -28.974 8.185 4.576 1.00 0.00 C ATOM 2079 O GLY A 136 -28.739 7.726 3.460 1.00 0.00 O ATOM 0 H GLY A 136 -29.551 8.195 7.531 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -29.696 6.311 5.329 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -30.750 7.671 5.663 1.00 0.00 H new ATOM 2083 N GLU A 137 -28.599 9.405 4.960 1.00 0.00 N ATOM 2084 CA GLU A 137 -27.867 10.303 4.073 1.00 0.00 C ATOM 2085 C GLU A 137 -26.525 9.693 3.708 1.00 0.00 C ATOM 2086 O GLU A 137 -26.194 9.570 2.532 1.00 0.00 O ATOM 2087 CB GLU A 137 -27.655 11.652 4.744 1.00 0.00 C ATOM 2088 CG GLU A 137 -28.932 12.240 5.312 1.00 0.00 C ATOM 2089 CD GLU A 137 -28.769 13.678 5.752 1.00 0.00 C ATOM 2090 OE1 GLU A 137 -28.345 13.902 6.904 1.00 0.00 O ATOM 2091 OE2 GLU A 137 -29.040 14.579 4.936 1.00 0.00 O ATOM 0 H GLU A 137 -28.792 9.793 5.883 1.00 0.00 H new ATOM 0 HA GLU A 137 -28.452 10.450 3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -26.925 11.542 5.546 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -27.231 12.349 4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -29.719 12.182 4.560 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -29.257 11.639 6.161 1.00 0.00 H new ATOM 2098 N PHE A 138 -25.755 9.308 4.726 1.00 0.00 N ATOM 2099 CA PHE A 138 -24.456 8.690 4.502 1.00 0.00 C ATOM 2100 C PHE A 138 -24.605 7.520 3.541 1.00 0.00 C ATOM 2101 O PHE A 138 -23.698 7.208 2.767 1.00 0.00 O ATOM 2102 CB PHE A 138 -23.853 8.173 5.813 1.00 0.00 C ATOM 2103 CG PHE A 138 -22.489 7.588 5.615 1.00 0.00 C ATOM 2104 CD1 PHE A 138 -21.503 8.306 4.957 1.00 0.00 C ATOM 2105 CD2 PHE A 138 -22.201 6.311 6.061 1.00 0.00 C ATOM 2106 CE1 PHE A 138 -20.254 7.758 4.748 1.00 0.00 C ATOM 2107 CE2 PHE A 138 -20.952 5.759 5.858 1.00 0.00 C ATOM 2108 CZ PHE A 138 -19.978 6.482 5.199 1.00 0.00 C ATOM 0 H PHE A 138 -26.010 9.414 5.708 1.00 0.00 H new ATOM 0 HA PHE A 138 -23.793 9.447 4.083 1.00 0.00 H new ATOM 0 HB2 PHE A 138 -23.795 8.990 6.532 1.00 0.00 H new ATOM 0 HB3 PHE A 138 -24.512 7.418 6.241 1.00 0.00 H new ATOM 0 HD1 PHE A 138 -21.714 9.305 4.604 1.00 0.00 H new ATOM 0 HD2 PHE A 138 -22.961 5.740 6.573 1.00 0.00 H new ATOM 0 HE1 PHE A 138 -19.494 8.326 4.233 1.00 0.00 H new ATOM 0 HE2 PHE A 138 -20.737 4.762 6.214 1.00 0.00 H new ATOM 0 HZ PHE A 138 -19.001 6.050 5.036 1.00 0.00 H new ATOM 2118 N ALA A 139 -25.764 6.878 3.608 1.00 0.00 N ATOM 2119 CA ALA A 139 -26.065 5.736 2.765 1.00 0.00 C ATOM 2120 C ALA A 139 -26.205 6.158 1.300 1.00 0.00 C ATOM 2121 O ALA A 139 -26.011 5.355 0.388 1.00 0.00 O ATOM 2122 CB ALA A 139 -27.328 5.059 3.279 1.00 0.00 C ATOM 0 H ALA A 139 -26.517 7.135 4.246 1.00 0.00 H new ATOM 0 HA ALA A 139 -25.242 5.023 2.809 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -27.561 4.199 2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -27.171 4.727 4.305 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -28.157 5.766 3.250 1.00 0.00 H new ATOM 2128 N ALA A 140 -26.528 7.432 1.091 1.00 0.00 N ATOM 2129 CA ALA A 140 -26.682 7.992 -0.251 1.00 0.00 C ATOM 2130 C ALA A 140 -25.359 8.527 -0.782 1.00 0.00 C ATOM 2131 O ALA A 140 -24.934 8.178 -1.881 1.00 0.00 O ATOM 2132 CB ALA A 140 -27.706 9.111 -0.240 1.00 0.00 C ATOM 0 H ALA A 140 -26.690 8.103 1.842 1.00 0.00 H new ATOM 0 HA ALA A 140 -27.022 7.190 -0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -27.810 9.519 -1.246 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -28.667 8.721 0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -27.377 9.898 0.438 1.00 0.00 H new ATOM 2138 N MET A 141 -24.719 9.389 0.005 1.00 0.00 N ATOM 2139 CA MET A 141 -23.451 9.984 -0.383 1.00 0.00 C ATOM 2140 C MET A 141 -22.462 8.901 -0.811 1.00 0.00 C ATOM 2141 O MET A 141 -21.527 9.162 -1.567 1.00 0.00 O ATOM 2142 CB MET A 141 -22.899 10.817 0.778 1.00 0.00 C ATOM 2143 CG MET A 141 -22.458 9.997 1.980 1.00 0.00 C ATOM 2144 SD MET A 141 -20.810 9.292 1.782 1.00 0.00 S ATOM 2145 CE MET A 141 -19.813 10.781 1.731 1.00 0.00 C ATOM 0 H MET A 141 -25.063 9.689 0.917 1.00 0.00 H new ATOM 0 HA MET A 141 -23.606 10.643 -1.237 1.00 0.00 H new ATOM 0 HB2 MET A 141 -22.051 11.401 0.420 1.00 0.00 H new ATOM 0 HB3 MET A 141 -23.663 11.526 1.097 1.00 0.00 H new ATOM 0 HG2 MET A 141 -22.474 10.627 2.869 1.00 0.00 H new ATOM 0 HG3 MET A 141 -23.174 9.192 2.147 1.00 0.00 H new ATOM 0 HE1 MET A 141 -18.807 10.558 2.087 1.00 0.00 H new ATOM 0 HE2 MET A 141 -19.762 11.150 0.707 1.00 0.00 H new ATOM 0 HE3 MET A 141 -20.263 11.542 2.369 1.00 0.00 H new ATOM 2155 N MET A 142 -22.701 7.679 -0.340 1.00 0.00 N ATOM 2156 CA MET A 142 -21.861 6.538 -0.687 1.00 0.00 C ATOM 2157 C MET A 142 -22.445 5.817 -1.896 1.00 0.00 C ATOM 2158 O MET A 142 -21.870 5.835 -2.985 1.00 0.00 O ATOM 2159 CB MET A 142 -21.767 5.564 0.488 1.00 0.00 C ATOM 2160 CG MET A 142 -20.917 4.338 0.192 1.00 0.00 C ATOM 2161 SD MET A 142 -21.078 3.057 1.451 1.00 0.00 S ATOM 2162 CE MET A 142 -20.648 3.975 2.925 1.00 0.00 C ATOM 0 H MET A 142 -23.474 7.454 0.286 1.00 0.00 H new ATOM 0 HA MET A 142 -20.862 6.903 -0.924 1.00 0.00 H new ATOM 0 HB2 MET A 142 -21.351 6.086 1.350 1.00 0.00 H new ATOM 0 HB3 MET A 142 -22.771 5.242 0.764 1.00 0.00 H new ATOM 0 HG2 MET A 142 -21.204 3.928 -0.776 1.00 0.00 H new ATOM 0 HG3 MET A 142 -19.871 4.636 0.115 1.00 0.00 H new ATOM 0 HE1 MET A 142 -20.372 3.281 3.719 1.00 0.00 H new ATOM 0 HE2 MET A 142 -19.806 4.634 2.711 1.00 0.00 H new ATOM 0 HE3 MET A 142 -21.503 4.571 3.245 1.00 0.00 H new