USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 483 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 Single : A 12 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.4!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0427 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.0545) USER MOD Single : A 19 GLN : amide:sc= -2.82 K(o=-2.8,f=-4.5!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -130:sc= -0.0456 (180deg=-0.466) USER MOD Single : A 32 SER OG : rot -13:sc= 0.163! USER MOD Single : A 33 ASN : amide:sc= -0.438 X(o=-0.44,f=-0.53) USER MOD Single : A 35 SER OG : rot 180:sc= 0.285 USER MOD Single : A 38 GLN : amide:sc= -0.762 K(o=-0.76,f=-0.15) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -155:sc= -1.47 (180deg=-2.04!) USER MOD Single : A 45 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.3!) USER MOD Single : A 49 TYR OH : rot -14:sc= -3.83! USER MOD Single : A 50 SER OG : rot 180:sc=-0.00503 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 150:sc= -0.818 USER MOD Single : A 58 LYS NZ :NH3+ -121:sc= 0.219! (180deg=-2.1!) USER MOD Single : A 59 LYS NZ :NH3+ -171:sc= 0.739 (180deg=0.692) USER MOD Single : A 60 GLN : amide:sc= -0.483 X(o=-0.48,f=-0.48) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot -158:sc= 0.806 USER MOD Single : A 66 LYS NZ :NH3+ -142:sc= 0.0673 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 137 N TRP A 11 13.302 0.276 -1.350 1.00 0.00 N ATOM 138 CA TRP A 11 12.898 1.671 -1.689 1.00 0.00 C ATOM 139 C TRP A 11 13.933 2.669 -1.161 1.00 0.00 C ATOM 140 O TRP A 11 14.538 2.462 -0.127 1.00 0.00 O ATOM 141 CB TRP A 11 11.549 1.864 -0.995 1.00 0.00 C ATOM 142 CG TRP A 11 10.477 1.216 -1.807 1.00 0.00 C ATOM 143 CD1 TRP A 11 9.805 1.814 -2.815 1.00 0.00 C ATOM 144 CD2 TRP A 11 9.942 -0.136 -1.703 1.00 0.00 C ATOM 145 NE1 TRP A 11 8.887 0.920 -3.333 1.00 0.00 N ATOM 146 CE2 TRP A 11 8.935 -0.297 -2.684 1.00 0.00 C ATOM 147 CE3 TRP A 11 10.229 -1.228 -0.863 1.00 0.00 C ATOM 148 CZ2 TRP A 11 8.236 -1.496 -2.825 1.00 0.00 C ATOM 149 CZ3 TRP A 11 9.526 -2.437 -1.004 1.00 0.00 C ATOM 150 CH2 TRP A 11 8.534 -2.569 -1.983 1.00 0.00 C ATOM 0 HA TRP A 11 12.830 1.836 -2.764 1.00 0.00 H new ATOM 0 HB2 TRP A 11 11.576 1.430 0.004 1.00 0.00 H new ATOM 0 HB3 TRP A 11 11.338 2.927 -0.875 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.960 2.826 -3.160 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.251 1.134 -4.102 1.00 0.00 H new ATOM 0 HE3 TRP A 11 10.994 -1.137 -0.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.470 -1.593 -3.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.752 -3.269 -0.353 1.00 0.00 H new ATOM 0 HH2 TRP A 11 7.999 -3.501 -2.087 1.00 0.00 H new ATOM 161 N ASN A 12 14.144 3.748 -1.865 1.00 0.00 N ATOM 162 CA ASN A 12 15.142 4.758 -1.406 1.00 0.00 C ATOM 163 C ASN A 12 14.435 6.042 -0.961 1.00 0.00 C ATOM 164 O ASN A 12 14.690 6.563 0.107 1.00 0.00 O ATOM 165 CB ASN A 12 16.022 5.030 -2.627 1.00 0.00 C ATOM 166 CG ASN A 12 17.376 4.342 -2.446 1.00 0.00 C ATOM 167 OD1 ASN A 12 17.878 4.241 -1.344 1.00 0.00 O ATOM 168 ND2 ASN A 12 17.993 3.860 -3.490 1.00 0.00 N ATOM 0 H ASN A 12 13.669 3.974 -2.739 1.00 0.00 H new ATOM 0 HA ASN A 12 15.722 4.404 -0.554 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.533 4.662 -3.529 1.00 0.00 H new ATOM 0 HB3 ASN A 12 16.162 6.103 -2.755 1.00 0.00 H new ATOM 0 HD21 ASN A 12 18.896 3.399 -3.381 1.00 0.00 H new ATOM 0 HD22 ASN A 12 17.572 3.944 -4.415 1.00 0.00 H new ATOM 175 N THR A 13 13.551 6.559 -1.772 1.00 0.00 N ATOM 176 CA THR A 13 12.834 7.809 -1.390 1.00 0.00 C ATOM 177 C THR A 13 11.408 7.486 -0.935 1.00 0.00 C ATOM 178 O THR A 13 10.901 6.407 -1.169 1.00 0.00 O ATOM 179 CB THR A 13 12.816 8.662 -2.659 1.00 0.00 C ATOM 180 OG1 THR A 13 12.012 9.813 -2.441 1.00 0.00 O ATOM 181 CG2 THR A 13 12.238 7.848 -3.818 1.00 0.00 C ATOM 0 H THR A 13 13.295 6.171 -2.680 1.00 0.00 H new ATOM 0 HA THR A 13 13.319 8.325 -0.562 1.00 0.00 H new ATOM 0 HB THR A 13 13.833 8.967 -2.905 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.000 10.362 -3.252 1.00 0.00 H new ATOM 0 HG21 THR A 13 12.226 8.458 -4.721 1.00 0.00 H new ATOM 0 HG22 THR A 13 12.854 6.965 -3.985 1.00 0.00 H new ATOM 0 HG23 THR A 13 11.221 7.540 -3.575 1.00 0.00 H new ATOM 189 N LYS A 14 10.762 8.411 -0.282 1.00 0.00 N ATOM 190 CA LYS A 14 9.371 8.157 0.196 1.00 0.00 C ATOM 191 C LYS A 14 8.404 8.050 -0.987 1.00 0.00 C ATOM 192 O LYS A 14 7.484 7.256 -0.976 1.00 0.00 O ATOM 193 CB LYS A 14 9.023 9.366 1.063 1.00 0.00 C ATOM 194 CG LYS A 14 8.387 8.892 2.371 1.00 0.00 C ATOM 195 CD LYS A 14 6.996 9.513 2.517 1.00 0.00 C ATOM 196 CE LYS A 14 6.647 9.641 4.001 1.00 0.00 C ATOM 197 NZ LYS A 14 5.185 9.363 4.083 1.00 0.00 N ATOM 0 H LYS A 14 11.136 9.333 -0.058 1.00 0.00 H new ATOM 0 HA LYS A 14 9.294 7.220 0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.921 9.947 1.273 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.336 10.023 0.530 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.314 7.804 2.379 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.014 9.176 3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.972 10.493 2.041 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.255 8.895 2.010 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.217 8.933 4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.880 10.638 4.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.873 9.433 5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.667 10.057 3.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.993 8.405 3.726 1.00 0.00 H new ATOM 211 N GLU A 15 8.596 8.844 -2.005 1.00 0.00 N ATOM 212 CA GLU A 15 7.675 8.784 -3.178 1.00 0.00 C ATOM 213 C GLU A 15 7.650 7.371 -3.764 1.00 0.00 C ATOM 214 O GLU A 15 6.602 6.807 -4.008 1.00 0.00 O ATOM 215 CB GLU A 15 8.247 9.775 -4.191 1.00 0.00 C ATOM 216 CG GLU A 15 7.540 9.592 -5.535 1.00 0.00 C ATOM 217 CD GLU A 15 7.680 10.870 -6.365 1.00 0.00 C ATOM 218 OE1 GLU A 15 8.154 11.855 -5.823 1.00 0.00 O ATOM 219 OE2 GLU A 15 7.312 10.841 -7.528 1.00 0.00 O ATOM 0 H GLU A 15 9.348 9.530 -2.076 1.00 0.00 H new ATOM 0 HA GLU A 15 6.649 9.031 -2.904 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.113 10.796 -3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.319 9.616 -4.307 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.971 8.748 -6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.486 9.363 -5.375 1.00 0.00 H new ATOM 226 N GLU A 16 8.796 6.794 -3.988 1.00 0.00 N ATOM 227 CA GLU A 16 8.833 5.415 -4.554 1.00 0.00 C ATOM 228 C GLU A 16 8.173 4.443 -3.578 1.00 0.00 C ATOM 229 O GLU A 16 7.418 3.572 -3.963 1.00 0.00 O ATOM 230 CB GLU A 16 10.315 5.086 -4.729 1.00 0.00 C ATOM 231 CG GLU A 16 10.824 5.709 -6.032 1.00 0.00 C ATOM 232 CD GLU A 16 10.222 4.961 -7.222 1.00 0.00 C ATOM 233 OE1 GLU A 16 10.295 3.743 -7.231 1.00 0.00 O ATOM 234 OE2 GLU A 16 9.697 5.618 -8.107 1.00 0.00 O ATOM 0 H GLU A 16 9.707 7.215 -3.805 1.00 0.00 H new ATOM 0 HA GLU A 16 8.296 5.338 -5.500 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.886 5.468 -3.883 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.459 4.006 -4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.550 6.763 -6.075 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.912 5.660 -6.070 1.00 0.00 H new ATOM 241 N ALA A 17 8.440 4.596 -2.312 1.00 0.00 N ATOM 242 CA ALA A 17 7.816 3.693 -1.307 1.00 0.00 C ATOM 243 C ALA A 17 6.295 3.854 -1.358 1.00 0.00 C ATOM 244 O ALA A 17 5.554 2.890 -1.398 1.00 0.00 O ATOM 245 CB ALA A 17 8.366 4.161 0.040 1.00 0.00 C ATOM 0 H ALA A 17 9.063 5.307 -1.930 1.00 0.00 H new ATOM 0 HA ALA A 17 8.038 2.641 -1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.952 3.543 0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.452 4.073 0.040 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.086 5.201 0.206 1.00 0.00 H new ATOM 251 N LYS A 18 5.828 5.072 -1.375 1.00 0.00 N ATOM 252 CA LYS A 18 4.359 5.303 -1.442 1.00 0.00 C ATOM 253 C LYS A 18 3.827 4.790 -2.779 1.00 0.00 C ATOM 254 O LYS A 18 2.730 4.275 -2.871 1.00 0.00 O ATOM 255 CB LYS A 18 4.194 6.820 -1.342 1.00 0.00 C ATOM 256 CG LYS A 18 2.867 7.146 -0.657 1.00 0.00 C ATOM 257 CD LYS A 18 3.082 8.260 0.368 1.00 0.00 C ATOM 258 CE LYS A 18 1.764 8.550 1.092 1.00 0.00 C ATOM 259 NZ LYS A 18 1.011 9.448 0.172 1.00 0.00 N ATOM 0 H LYS A 18 6.400 5.916 -1.345 1.00 0.00 H new ATOM 0 HA LYS A 18 3.812 4.786 -0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.022 7.250 -0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.221 7.265 -2.336 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.130 7.456 -1.398 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.471 6.257 -0.166 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.847 7.965 1.087 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.442 9.161 -0.129 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.211 7.632 1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.939 9.029 2.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.951 10.399 0.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.504 9.500 -0.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.052 9.072 0.027 1.00 0.00 H new ATOM 273 N GLN A 19 4.608 4.919 -3.817 1.00 0.00 N ATOM 274 CA GLN A 19 4.164 4.431 -5.152 1.00 0.00 C ATOM 275 C GLN A 19 4.001 2.908 -5.107 1.00 0.00 C ATOM 276 O GLN A 19 3.057 2.361 -5.640 1.00 0.00 O ATOM 277 CB GLN A 19 5.286 4.838 -6.115 1.00 0.00 C ATOM 278 CG GLN A 19 5.307 3.905 -7.331 1.00 0.00 C ATOM 279 CD GLN A 19 3.903 3.805 -7.930 1.00 0.00 C ATOM 280 OE1 GLN A 19 3.442 2.726 -8.250 1.00 0.00 O ATOM 281 NE2 GLN A 19 3.198 4.890 -8.096 1.00 0.00 N ATOM 0 H GLN A 19 5.536 5.342 -3.797 1.00 0.00 H new ATOM 0 HA GLN A 19 3.205 4.847 -5.461 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.139 5.868 -6.441 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.247 4.800 -5.602 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.005 4.282 -8.078 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.658 2.916 -7.036 1.00 0.00 H new ATOM 0 HE21 GLN A 19 3.584 5.795 -7.828 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.261 4.833 -8.494 1.00 0.00 H new ATOM 290 N ALA A 20 4.910 2.223 -4.466 1.00 0.00 N ATOM 291 CA ALA A 20 4.794 0.741 -4.384 1.00 0.00 C ATOM 292 C ALA A 20 3.575 0.371 -3.540 1.00 0.00 C ATOM 293 O ALA A 20 2.887 -0.592 -3.810 1.00 0.00 O ATOM 294 CB ALA A 20 6.082 0.274 -3.707 1.00 0.00 C ATOM 0 H ALA A 20 5.723 2.624 -3.999 1.00 0.00 H new ATOM 0 HA ALA A 20 4.666 0.276 -5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.070 -0.812 -3.611 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.939 0.575 -4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.157 0.725 -2.717 1.00 0.00 H new ATOM 300 N PHE A 21 3.300 1.140 -2.523 1.00 0.00 N ATOM 301 CA PHE A 21 2.120 0.844 -1.665 1.00 0.00 C ATOM 302 C PHE A 21 0.832 1.077 -2.460 1.00 0.00 C ATOM 303 O PHE A 21 -0.084 0.279 -2.422 1.00 0.00 O ATOM 304 CB PHE A 21 2.223 1.824 -0.495 1.00 0.00 C ATOM 305 CG PHE A 21 1.363 1.341 0.649 1.00 0.00 C ATOM 306 CD1 PHE A 21 0.008 1.681 0.696 1.00 0.00 C ATOM 307 CD2 PHE A 21 1.925 0.555 1.664 1.00 0.00 C ATOM 308 CE1 PHE A 21 -0.790 1.235 1.758 1.00 0.00 C ATOM 309 CE2 PHE A 21 1.126 0.109 2.726 1.00 0.00 C ATOM 310 CZ PHE A 21 -0.230 0.450 2.773 1.00 0.00 C ATOM 0 H PHE A 21 3.841 1.960 -2.250 1.00 0.00 H new ATOM 0 HA PHE A 21 2.100 -0.190 -1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.260 1.912 -0.171 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.902 2.817 -0.810 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -0.424 2.288 -0.086 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.972 0.293 1.628 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.837 1.497 1.794 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.557 -0.498 3.508 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.845 0.108 3.592 1.00 0.00 H new ATOM 320 N LYS A 22 0.756 2.158 -3.191 1.00 0.00 N ATOM 321 CA LYS A 22 -0.474 2.421 -3.996 1.00 0.00 C ATOM 322 C LYS A 22 -0.600 1.364 -5.092 1.00 0.00 C ATOM 323 O LYS A 22 -1.639 0.762 -5.274 1.00 0.00 O ATOM 324 CB LYS A 22 -0.273 3.804 -4.614 1.00 0.00 C ATOM 325 CG LYS A 22 -0.786 4.878 -3.653 1.00 0.00 C ATOM 326 CD LYS A 22 -0.678 6.252 -4.317 1.00 0.00 C ATOM 327 CE LYS A 22 -1.412 6.231 -5.660 1.00 0.00 C ATOM 328 NZ LYS A 22 -1.478 7.658 -6.085 1.00 0.00 N ATOM 0 H LYS A 22 1.487 2.866 -3.266 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.380 2.382 -3.391 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.783 3.968 -4.827 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.804 3.869 -5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.822 4.674 -3.382 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.206 4.862 -2.730 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.107 7.016 -3.668 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.369 6.513 -4.467 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.878 5.625 -6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.409 5.803 -5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.968 7.725 -7.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.998 8.209 -5.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.514 8.037 -6.180 1.00 0.00 H new ATOM 342 N GLU A 23 0.461 1.120 -5.817 1.00 0.00 N ATOM 343 CA GLU A 23 0.405 0.085 -6.886 1.00 0.00 C ATOM 344 C GLU A 23 0.089 -1.264 -6.246 1.00 0.00 C ATOM 345 O GLU A 23 -0.582 -2.100 -6.818 1.00 0.00 O ATOM 346 CB GLU A 23 1.802 0.075 -7.511 1.00 0.00 C ATOM 347 CG GLU A 23 1.820 -0.867 -8.718 1.00 0.00 C ATOM 348 CD GLU A 23 0.975 -0.269 -9.845 1.00 0.00 C ATOM 349 OE1 GLU A 23 1.190 0.886 -10.170 1.00 0.00 O ATOM 350 OE2 GLU A 23 0.129 -0.978 -10.364 1.00 0.00 O ATOM 0 H GLU A 23 1.359 1.592 -5.714 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.360 0.286 -7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.080 1.083 -7.820 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.538 -0.247 -6.775 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.844 -1.019 -9.059 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.429 -1.845 -8.436 1.00 0.00 H new ATOM 357 N LEU A 24 0.561 -1.468 -5.047 1.00 0.00 N ATOM 358 CA LEU A 24 0.289 -2.746 -4.339 1.00 0.00 C ATOM 359 C LEU A 24 -1.221 -2.905 -4.135 1.00 0.00 C ATOM 360 O LEU A 24 -1.798 -3.923 -4.463 1.00 0.00 O ATOM 361 CB LEU A 24 1.016 -2.598 -3.004 1.00 0.00 C ATOM 362 CG LEU A 24 0.673 -3.765 -2.087 1.00 0.00 C ATOM 363 CD1 LEU A 24 0.944 -5.075 -2.820 1.00 0.00 C ATOM 364 CD2 LEU A 24 1.548 -3.688 -0.829 1.00 0.00 C ATOM 0 H LEU A 24 1.127 -0.798 -4.526 1.00 0.00 H new ATOM 0 HA LEU A 24 0.626 -3.626 -4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.093 -2.560 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.734 -1.658 -2.530 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.378 -3.719 -1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.700 -5.914 -2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.329 -5.123 -3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.997 -5.125 -3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.308 -4.520 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.599 -3.741 -1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.359 -2.747 -0.312 1.00 0.00 H new ATOM 376 N LEU A 25 -1.870 -1.899 -3.615 1.00 0.00 N ATOM 377 CA LEU A 25 -3.346 -1.990 -3.415 1.00 0.00 C ATOM 378 C LEU A 25 -4.035 -2.202 -4.763 1.00 0.00 C ATOM 379 O LEU A 25 -4.984 -2.955 -4.877 1.00 0.00 O ATOM 380 CB LEU A 25 -3.750 -0.644 -2.813 1.00 0.00 C ATOM 381 CG LEU A 25 -3.700 -0.728 -1.289 1.00 0.00 C ATOM 382 CD1 LEU A 25 -2.836 0.408 -0.740 1.00 0.00 C ATOM 383 CD2 LEU A 25 -5.118 -0.598 -0.736 1.00 0.00 C ATOM 0 H LEU A 25 -1.444 -1.020 -3.320 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.630 -2.822 -2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.080 0.140 -3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.755 -0.375 -3.140 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.271 -1.684 -0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.802 0.346 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.826 0.323 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.264 1.366 -1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.091 -0.657 0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.539 0.361 -1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.737 -1.405 -1.128 1.00 0.00 H new ATOM 395 N LYS A 26 -3.555 -1.552 -5.790 1.00 0.00 N ATOM 396 CA LYS A 26 -4.172 -1.726 -7.135 1.00 0.00 C ATOM 397 C LYS A 26 -4.006 -3.178 -7.581 1.00 0.00 C ATOM 398 O LYS A 26 -4.929 -3.800 -8.071 1.00 0.00 O ATOM 399 CB LYS A 26 -3.394 -0.786 -8.056 1.00 0.00 C ATOM 400 CG LYS A 26 -4.346 -0.183 -9.091 1.00 0.00 C ATOM 401 CD LYS A 26 -3.602 0.023 -10.412 1.00 0.00 C ATOM 402 CE LYS A 26 -3.268 1.506 -10.583 1.00 0.00 C ATOM 403 NZ LYS A 26 -4.219 1.998 -11.620 1.00 0.00 N ATOM 0 H LYS A 26 -2.764 -0.909 -5.755 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.238 -1.500 -7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.925 0.006 -7.473 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.593 -1.330 -8.556 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.201 -0.843 -9.242 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.737 0.768 -8.730 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.688 -0.570 -10.423 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.215 -0.321 -11.245 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.390 2.049 -9.646 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.234 1.644 -10.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.052 3.010 -11.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.075 1.468 -12.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.195 1.860 -11.289 1.00 0.00 H new ATOM 417 N GLU A 27 -2.837 -3.728 -7.396 1.00 0.00 N ATOM 418 CA GLU A 27 -2.609 -5.146 -7.789 1.00 0.00 C ATOM 419 C GLU A 27 -3.449 -6.054 -6.890 1.00 0.00 C ATOM 420 O GLU A 27 -3.821 -7.150 -7.260 1.00 0.00 O ATOM 421 CB GLU A 27 -1.115 -5.384 -7.560 1.00 0.00 C ATOM 422 CG GLU A 27 -0.803 -6.878 -7.683 1.00 0.00 C ATOM 423 CD GLU A 27 -0.194 -7.163 -9.056 1.00 0.00 C ATOM 424 OE1 GLU A 27 -0.914 -7.062 -10.035 1.00 0.00 O ATOM 425 OE2 GLU A 27 0.985 -7.479 -9.107 1.00 0.00 O ATOM 0 H GLU A 27 -2.030 -3.255 -6.989 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.891 -5.355 -8.821 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.532 -4.820 -8.288 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.827 -5.023 -6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.111 -7.181 -6.897 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.713 -7.462 -7.549 1.00 0.00 H new ATOM 432 N LYS A 28 -3.757 -5.591 -5.710 1.00 0.00 N ATOM 433 CA LYS A 28 -4.583 -6.405 -4.776 1.00 0.00 C ATOM 434 C LYS A 28 -6.068 -6.157 -5.052 1.00 0.00 C ATOM 435 O LYS A 28 -6.933 -6.646 -4.353 1.00 0.00 O ATOM 436 CB LYS A 28 -4.202 -5.909 -3.379 1.00 0.00 C ATOM 437 CG LYS A 28 -3.037 -6.742 -2.838 1.00 0.00 C ATOM 438 CD LYS A 28 -1.751 -6.380 -3.586 1.00 0.00 C ATOM 439 CE LYS A 28 -0.744 -7.527 -3.465 1.00 0.00 C ATOM 440 NZ LYS A 28 -1.221 -8.562 -4.423 1.00 0.00 N ATOM 0 H LYS A 28 -3.471 -4.680 -5.352 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.410 -7.476 -4.885 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.922 -4.856 -3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.058 -5.985 -2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.912 -6.559 -1.771 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.251 -7.804 -2.957 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.972 -6.186 -4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.325 -5.464 -3.175 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.264 -7.195 -3.713 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.710 -7.917 -2.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.267 -9.484 -3.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.167 -8.305 -4.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.563 -8.621 -5.226 1.00 0.00 H new ATOM 454 N ARG A 29 -6.366 -5.398 -6.073 1.00 0.00 N ATOM 455 CA ARG A 29 -7.789 -5.114 -6.406 1.00 0.00 C ATOM 456 C ARG A 29 -8.542 -4.633 -5.164 1.00 0.00 C ATOM 457 O ARG A 29 -9.711 -4.917 -4.989 1.00 0.00 O ATOM 458 CB ARG A 29 -8.354 -6.445 -6.901 1.00 0.00 C ATOM 459 CG ARG A 29 -8.161 -6.551 -8.416 1.00 0.00 C ATOM 460 CD ARG A 29 -7.191 -7.692 -8.731 1.00 0.00 C ATOM 461 NE ARG A 29 -6.752 -7.447 -10.133 1.00 0.00 N ATOM 462 CZ ARG A 29 -5.724 -8.088 -10.617 1.00 0.00 C ATOM 463 NH1 ARG A 29 -5.595 -9.369 -10.402 1.00 0.00 N ATOM 464 NH2 ARG A 29 -4.825 -7.449 -11.312 1.00 0.00 N ATOM 0 H ARG A 29 -5.682 -4.962 -6.691 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.888 -4.328 -7.155 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.852 -7.273 -6.401 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.413 -6.517 -6.653 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -9.119 -6.730 -8.903 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.774 -5.611 -8.810 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.343 -7.690 -8.046 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.678 -8.662 -8.633 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.255 -6.778 -10.715 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.298 -9.868 -9.856 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.792 -9.871 -10.780 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.925 -6.448 -11.477 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.021 -7.951 -11.690 1.00 0.00 H new ATOM 478 N VAL A 30 -7.889 -3.901 -4.300 1.00 0.00 N ATOM 479 CA VAL A 30 -8.586 -3.404 -3.079 1.00 0.00 C ATOM 480 C VAL A 30 -9.700 -2.433 -3.481 1.00 0.00 C ATOM 481 O VAL A 30 -9.480 -1.528 -4.261 1.00 0.00 O ATOM 482 CB VAL A 30 -7.511 -2.682 -2.264 1.00 0.00 C ATOM 483 CG1 VAL A 30 -8.156 -2.014 -1.049 1.00 0.00 C ATOM 484 CG2 VAL A 30 -6.466 -3.691 -1.785 1.00 0.00 C ATOM 0 H VAL A 30 -6.910 -3.628 -4.386 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.047 -4.209 -2.507 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.032 -1.928 -2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.391 -1.499 -0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.903 -1.294 -1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.635 -2.772 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.701 -3.175 -1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.947 -4.445 -1.162 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.004 -4.173 -2.647 1.00 0.00 H new ATOM 494 N PRO A 31 -10.867 -2.660 -2.940 1.00 0.00 N ATOM 495 CA PRO A 31 -12.029 -1.795 -3.259 1.00 0.00 C ATOM 496 C PRO A 31 -11.874 -0.423 -2.598 1.00 0.00 C ATOM 497 O PRO A 31 -11.050 -0.231 -1.726 1.00 0.00 O ATOM 498 CB PRO A 31 -13.213 -2.553 -2.666 1.00 0.00 C ATOM 499 CG PRO A 31 -12.627 -3.395 -1.580 1.00 0.00 C ATOM 500 CD PRO A 31 -11.213 -3.724 -1.991 1.00 0.00 C ATOM 0 HA PRO A 31 -12.141 -1.606 -4.327 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -13.964 -1.868 -2.273 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.706 -3.167 -3.419 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -12.638 -2.861 -0.630 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.210 -4.305 -1.441 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.539 -3.731 -1.134 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.150 -4.709 -2.454 1.00 0.00 H new ATOM 508 N SER A 32 -12.664 0.530 -3.007 1.00 0.00 N ATOM 509 CA SER A 32 -12.568 1.891 -2.407 1.00 0.00 C ATOM 510 C SER A 32 -13.183 1.899 -1.005 1.00 0.00 C ATOM 511 O SER A 32 -13.085 2.870 -0.281 1.00 0.00 O ATOM 512 CB SER A 32 -13.366 2.792 -3.347 1.00 0.00 C ATOM 513 OG SER A 32 -13.702 3.997 -2.671 1.00 0.00 O ATOM 0 H SER A 32 -13.374 0.425 -3.732 1.00 0.00 H new ATOM 0 HA SER A 32 -11.535 2.223 -2.300 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.782 3.013 -4.240 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.271 2.282 -3.677 1.00 0.00 H new ATOM 0 HG SER A 32 -13.537 3.890 -1.711 1.00 0.00 H new ATOM 519 N ASN A 33 -13.820 0.828 -0.616 1.00 0.00 N ATOM 520 CA ASN A 33 -14.442 0.788 0.740 1.00 0.00 C ATOM 521 C ASN A 33 -13.802 -0.311 1.592 1.00 0.00 C ATOM 522 O ASN A 33 -14.380 -0.774 2.556 1.00 0.00 O ATOM 523 CB ASN A 33 -15.919 0.481 0.488 1.00 0.00 C ATOM 524 CG ASN A 33 -16.048 -0.886 -0.184 1.00 0.00 C ATOM 525 OD1 ASN A 33 -16.172 -0.975 -1.389 1.00 0.00 O ATOM 526 ND2 ASN A 33 -16.025 -1.964 0.550 1.00 0.00 N ATOM 0 H ASN A 33 -13.937 -0.017 -1.175 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.305 1.724 1.282 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.469 0.489 1.429 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.359 1.252 -0.145 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.111 -2.881 0.112 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -15.921 -1.890 1.562 1.00 0.00 H new ATOM 533 N ALA A 34 -12.616 -0.734 1.250 1.00 0.00 N ATOM 534 CA ALA A 34 -11.951 -1.805 2.049 1.00 0.00 C ATOM 535 C ALA A 34 -11.470 -1.248 3.388 1.00 0.00 C ATOM 536 O ALA A 34 -11.096 -0.098 3.498 1.00 0.00 O ATOM 537 CB ALA A 34 -10.751 -2.252 1.211 1.00 0.00 C ATOM 0 H ALA A 34 -12.079 -0.387 0.455 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.632 -2.628 2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.213 -3.040 1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.099 -2.630 0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.085 -1.405 1.048 1.00 0.00 H new ATOM 543 N SER A 35 -11.457 -2.065 4.404 1.00 0.00 N ATOM 544 CA SER A 35 -10.974 -1.592 5.732 1.00 0.00 C ATOM 545 C SER A 35 -9.455 -1.742 5.785 1.00 0.00 C ATOM 546 O SER A 35 -8.889 -2.580 5.112 1.00 0.00 O ATOM 547 CB SER A 35 -11.638 -2.515 6.751 1.00 0.00 C ATOM 548 OG SER A 35 -10.954 -3.763 6.766 1.00 0.00 O ATOM 0 H SER A 35 -11.759 -3.039 4.373 1.00 0.00 H new ATOM 0 HA SER A 35 -11.215 -0.547 5.926 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.613 -2.061 7.742 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.687 -2.664 6.495 1.00 0.00 H new ATOM 0 HG SER A 35 -11.375 -4.359 7.420 1.00 0.00 H new ATOM 554 N TRP A 36 -8.780 -0.945 6.566 1.00 0.00 N ATOM 555 CA TRP A 36 -7.299 -1.078 6.621 1.00 0.00 C ATOM 556 C TRP A 36 -6.915 -2.538 6.852 1.00 0.00 C ATOM 557 O TRP A 36 -5.903 -3.003 6.378 1.00 0.00 O ATOM 558 CB TRP A 36 -6.837 -0.225 7.799 1.00 0.00 C ATOM 559 CG TRP A 36 -5.387 -0.499 8.040 1.00 0.00 C ATOM 560 CD1 TRP A 36 -4.829 -0.745 9.246 1.00 0.00 C ATOM 561 CD2 TRP A 36 -4.307 -0.573 7.065 1.00 0.00 C ATOM 562 NE1 TRP A 36 -3.474 -0.967 9.073 1.00 0.00 N ATOM 563 CE2 TRP A 36 -3.104 -0.868 7.745 1.00 0.00 C ATOM 564 CE3 TRP A 36 -4.256 -0.413 5.667 1.00 0.00 C ATOM 565 CZ2 TRP A 36 -1.891 -1.000 7.063 1.00 0.00 C ATOM 566 CZ3 TRP A 36 -3.039 -0.545 4.979 1.00 0.00 C ATOM 567 CH2 TRP A 36 -1.859 -0.836 5.676 1.00 0.00 C ATOM 0 H TRP A 36 -9.182 -0.219 7.159 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.835 -0.755 5.689 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -6.993 0.833 7.586 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.420 -0.460 8.689 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.354 -0.765 10.190 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.827 -1.178 9.833 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.159 -0.187 5.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -0.985 -1.227 7.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.012 -0.421 3.906 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.926 -0.933 5.142 1.00 0.00 H new ATOM 578 N GLU A 37 -7.714 -3.266 7.580 1.00 0.00 N ATOM 579 CA GLU A 37 -7.387 -4.697 7.840 1.00 0.00 C ATOM 580 C GLU A 37 -7.433 -5.496 6.535 1.00 0.00 C ATOM 581 O GLU A 37 -6.533 -6.253 6.226 1.00 0.00 O ATOM 582 CB GLU A 37 -8.469 -5.184 8.803 1.00 0.00 C ATOM 583 CG GLU A 37 -8.508 -4.273 10.031 1.00 0.00 C ATOM 584 CD GLU A 37 -8.955 -5.081 11.251 1.00 0.00 C ATOM 585 OE1 GLU A 37 -10.127 -5.412 11.319 1.00 0.00 O ATOM 586 OE2 GLU A 37 -8.119 -5.355 12.095 1.00 0.00 O ATOM 0 H GLU A 37 -8.579 -2.933 8.006 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.387 -4.822 8.254 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.439 -5.184 8.306 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.266 -6.211 9.106 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.523 -3.841 10.208 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.194 -3.443 9.860 1.00 0.00 H new ATOM 593 N GLN A 38 -8.475 -5.337 5.767 1.00 0.00 N ATOM 594 CA GLN A 38 -8.577 -6.091 4.484 1.00 0.00 C ATOM 595 C GLN A 38 -7.559 -5.559 3.473 1.00 0.00 C ATOM 596 O GLN A 38 -6.863 -6.313 2.819 1.00 0.00 O ATOM 597 CB GLN A 38 -10.003 -5.841 3.994 1.00 0.00 C ATOM 598 CG GLN A 38 -10.974 -6.722 4.781 1.00 0.00 C ATOM 599 CD GLN A 38 -11.299 -7.977 3.968 1.00 0.00 C ATOM 600 OE1 GLN A 38 -11.304 -9.072 4.494 1.00 0.00 O ATOM 601 NE2 GLN A 38 -11.571 -7.863 2.696 1.00 0.00 N ATOM 0 H GLN A 38 -9.260 -4.719 5.971 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.369 -7.153 4.611 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.264 -4.790 4.121 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.077 -6.061 2.929 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.534 -7.000 5.739 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.888 -6.170 4.998 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.567 -6.944 2.254 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.788 -8.693 2.144 1.00 0.00 H new ATOM 610 N ALA A 39 -7.463 -4.265 3.339 1.00 0.00 N ATOM 611 CA ALA A 39 -6.491 -3.690 2.369 1.00 0.00 C ATOM 612 C ALA A 39 -5.058 -3.961 2.829 1.00 0.00 C ATOM 613 O ALA A 39 -4.205 -4.316 2.042 1.00 0.00 O ATOM 614 CB ALA A 39 -6.776 -2.188 2.361 1.00 0.00 C ATOM 0 H ALA A 39 -8.015 -3.582 3.859 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.593 -4.129 1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.097 -1.693 1.667 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.805 -2.015 2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.629 -1.784 3.363 1.00 0.00 H new ATOM 620 N MET A 40 -4.786 -3.793 4.094 1.00 0.00 N ATOM 621 CA MET A 40 -3.404 -4.034 4.603 1.00 0.00 C ATOM 622 C MET A 40 -3.000 -5.493 4.412 1.00 0.00 C ATOM 623 O MET A 40 -1.929 -5.782 3.933 1.00 0.00 O ATOM 624 CB MET A 40 -3.455 -3.697 6.093 1.00 0.00 C ATOM 625 CG MET A 40 -2.125 -4.077 6.747 1.00 0.00 C ATOM 626 SD MET A 40 -2.307 -5.662 7.607 1.00 0.00 S ATOM 627 CE MET A 40 -2.479 -4.996 9.281 1.00 0.00 C ATOM 0 H MET A 40 -5.462 -3.499 4.799 1.00 0.00 H new ATOM 0 HA MET A 40 -2.672 -3.429 4.067 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.649 -2.633 6.230 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.274 -4.234 6.571 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.343 -4.149 5.991 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.819 -3.302 7.450 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.605 -5.816 9.988 1.00 0.00 H new ATOM 0 HE2 MET A 40 -1.586 -4.428 9.540 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.350 -4.342 9.325 1.00 0.00 H new ATOM 637 N LYS A 41 -3.836 -6.415 4.795 1.00 0.00 N ATOM 638 CA LYS A 41 -3.471 -7.855 4.641 1.00 0.00 C ATOM 639 C LYS A 41 -3.281 -8.200 3.158 1.00 0.00 C ATOM 640 O LYS A 41 -2.291 -8.802 2.764 1.00 0.00 O ATOM 641 CB LYS A 41 -4.669 -8.610 5.234 1.00 0.00 C ATOM 642 CG LYS A 41 -4.726 -10.040 4.685 1.00 0.00 C ATOM 643 CD LYS A 41 -6.079 -10.662 5.033 1.00 0.00 C ATOM 644 CE LYS A 41 -6.322 -11.883 4.141 1.00 0.00 C ATOM 645 NZ LYS A 41 -7.302 -12.728 4.882 1.00 0.00 N ATOM 0 H LYS A 41 -4.753 -6.239 5.206 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.535 -8.112 5.137 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.590 -8.634 6.321 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.593 -8.084 4.993 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.583 -10.033 3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.919 -10.637 5.109 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.098 -10.955 6.083 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.875 -9.931 4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.715 -11.587 3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.395 -12.426 3.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.513 -13.582 4.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.899 -13.003 5.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.178 -12.189 5.036 1.00 0.00 H new ATOM 659 N MET A 42 -4.216 -7.816 2.333 1.00 0.00 N ATOM 660 CA MET A 42 -4.095 -8.119 0.880 1.00 0.00 C ATOM 661 C MET A 42 -2.802 -7.525 0.327 1.00 0.00 C ATOM 662 O MET A 42 -2.189 -8.070 -0.569 1.00 0.00 O ATOM 663 CB MET A 42 -5.307 -7.447 0.231 1.00 0.00 C ATOM 664 CG MET A 42 -6.594 -8.091 0.752 1.00 0.00 C ATOM 665 SD MET A 42 -7.326 -9.112 -0.552 1.00 0.00 S ATOM 666 CE MET A 42 -7.664 -7.774 -1.721 1.00 0.00 C ATOM 0 H MET A 42 -5.057 -7.306 2.602 1.00 0.00 H new ATOM 0 HA MET A 42 -4.068 -9.191 0.683 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.306 -6.380 0.454 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.253 -7.546 -0.853 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.379 -8.701 1.629 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.299 -7.320 1.064 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.482 -8.065 -2.380 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.941 -6.874 -1.173 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.772 -7.576 -2.316 1.00 0.00 H new ATOM 676 N ILE A 43 -2.389 -6.405 0.848 1.00 0.00 N ATOM 677 CA ILE A 43 -1.146 -5.762 0.345 1.00 0.00 C ATOM 678 C ILE A 43 0.076 -6.247 1.137 1.00 0.00 C ATOM 679 O ILE A 43 1.189 -6.223 0.651 1.00 0.00 O ATOM 680 CB ILE A 43 -1.372 -4.257 0.535 1.00 0.00 C ATOM 681 CG1 ILE A 43 -1.298 -3.902 2.020 1.00 0.00 C ATOM 682 CG2 ILE A 43 -2.746 -3.858 -0.010 1.00 0.00 C ATOM 683 CD1 ILE A 43 -1.171 -2.382 2.158 1.00 0.00 C ATOM 0 H ILE A 43 -2.860 -5.906 1.603 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.947 -6.010 -0.697 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.596 -3.717 -0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.190 -4.255 2.537 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.444 -4.396 2.484 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.896 -2.788 0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.799 -4.096 -1.072 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.522 -4.406 0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.117 -2.116 3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.266 -2.045 1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.039 -1.902 1.706 1.00 0.00 H new ATOM 695 N ILE A 44 -0.114 -6.704 2.347 1.00 0.00 N ATOM 696 CA ILE A 44 1.053 -7.192 3.136 1.00 0.00 C ATOM 697 C ILE A 44 1.623 -8.436 2.459 1.00 0.00 C ATOM 698 O ILE A 44 2.821 -8.607 2.357 1.00 0.00 O ATOM 699 CB ILE A 44 0.507 -7.509 4.540 1.00 0.00 C ATOM 700 CG1 ILE A 44 1.584 -7.200 5.581 1.00 0.00 C ATOM 701 CG2 ILE A 44 0.125 -8.987 4.650 1.00 0.00 C ATOM 702 CD1 ILE A 44 0.927 -6.634 6.840 1.00 0.00 C ATOM 0 H ILE A 44 -1.017 -6.760 2.818 1.00 0.00 H new ATOM 0 HA ILE A 44 1.859 -6.461 3.200 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.379 -6.898 4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.141 -8.105 5.824 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.300 -6.484 5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.259 -9.190 5.650 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.643 -9.220 3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.004 -9.605 4.466 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.694 -6.413 7.583 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.390 -5.719 6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.228 -7.365 7.246 1.00 0.00 H new ATOM 714 N ASN A 45 0.769 -9.298 1.974 1.00 0.00 N ATOM 715 CA ASN A 45 1.277 -10.517 1.280 1.00 0.00 C ATOM 716 C ASN A 45 2.293 -10.103 0.206 1.00 0.00 C ATOM 717 O ASN A 45 3.103 -10.892 -0.239 1.00 0.00 O ATOM 718 CB ASN A 45 0.042 -11.151 0.637 1.00 0.00 C ATOM 719 CG ASN A 45 -0.581 -12.158 1.605 1.00 0.00 C ATOM 720 OD1 ASN A 45 0.101 -12.717 2.442 1.00 0.00 O ATOM 721 ND2 ASN A 45 -1.859 -12.413 1.527 1.00 0.00 N ATOM 0 H ASN A 45 -0.246 -9.213 2.027 1.00 0.00 H new ATOM 0 HA ASN A 45 1.778 -11.210 1.955 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.684 -10.379 0.382 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.318 -11.648 -0.293 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.286 -13.081 2.168 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.431 -11.944 0.825 1.00 0.00 H new ATOM 728 N ASP A 46 2.246 -8.864 -0.209 1.00 0.00 N ATOM 729 CA ASP A 46 3.189 -8.365 -1.252 1.00 0.00 C ATOM 730 C ASP A 46 4.336 -7.580 -0.604 1.00 0.00 C ATOM 731 O ASP A 46 4.146 -6.921 0.401 1.00 0.00 O ATOM 732 CB ASP A 46 2.340 -7.442 -2.115 1.00 0.00 C ATOM 733 CG ASP A 46 2.979 -7.283 -3.494 1.00 0.00 C ATOM 734 OD1 ASP A 46 3.908 -6.501 -3.607 1.00 0.00 O ATOM 735 OD2 ASP A 46 2.530 -7.946 -4.414 1.00 0.00 O ATOM 0 H ASP A 46 1.585 -8.168 0.136 1.00 0.00 H new ATOM 0 HA ASP A 46 3.645 -9.173 -1.824 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.334 -7.848 -2.216 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.244 -6.468 -1.635 1.00 0.00 H new ATOM 740 N PRO A 47 5.491 -7.679 -1.203 1.00 0.00 N ATOM 741 CA PRO A 47 6.687 -6.977 -0.671 1.00 0.00 C ATOM 742 C PRO A 47 6.495 -5.457 -0.721 1.00 0.00 C ATOM 743 O PRO A 47 7.162 -4.721 -0.021 1.00 0.00 O ATOM 744 CB PRO A 47 7.815 -7.444 -1.591 1.00 0.00 C ATOM 745 CG PRO A 47 7.127 -7.861 -2.848 1.00 0.00 C ATOM 746 CD PRO A 47 5.797 -8.426 -2.428 1.00 0.00 C ATOM 0 HA PRO A 47 6.890 -7.202 0.376 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.531 -6.644 -1.778 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.370 -8.272 -1.149 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.995 -7.013 -3.520 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.715 -8.605 -3.385 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.035 -8.276 -3.193 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.855 -9.499 -2.242 1.00 0.00 H new ATOM 754 N ARG A 48 5.576 -4.974 -1.518 1.00 0.00 N ATOM 755 CA ARG A 48 5.348 -3.500 -1.560 1.00 0.00 C ATOM 756 C ARG A 48 4.974 -2.991 -0.173 1.00 0.00 C ATOM 757 O ARG A 48 5.177 -1.838 0.147 1.00 0.00 O ATOM 758 CB ARG A 48 4.198 -3.266 -2.536 1.00 0.00 C ATOM 759 CG ARG A 48 4.754 -2.994 -3.930 1.00 0.00 C ATOM 760 CD ARG A 48 5.131 -4.314 -4.588 1.00 0.00 C ATOM 761 NE ARG A 48 3.908 -4.734 -5.322 1.00 0.00 N ATOM 762 CZ ARG A 48 4.011 -5.275 -6.505 1.00 0.00 C ATOM 763 NH1 ARG A 48 4.905 -4.836 -7.348 1.00 0.00 N ATOM 764 NH2 ARG A 48 3.221 -6.257 -6.844 1.00 0.00 N ATOM 0 H ARG A 48 4.981 -5.529 -2.134 1.00 0.00 H new ATOM 0 HA ARG A 48 6.246 -2.969 -1.877 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.544 -4.138 -2.558 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.593 -2.422 -2.204 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.012 -2.472 -4.534 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.627 -2.344 -3.865 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.976 -4.192 -5.265 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.422 -5.057 -3.846 1.00 0.00 H new ATOM 0 HE ARG A 48 2.989 -4.599 -4.901 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.524 -4.070 -7.082 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.985 -5.259 -8.273 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.523 -6.601 -6.184 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.301 -6.680 -7.769 1.00 0.00 H new ATOM 778 N TYR A 49 4.423 -3.833 0.658 1.00 0.00 N ATOM 779 CA TYR A 49 4.046 -3.363 2.017 1.00 0.00 C ATOM 780 C TYR A 49 5.294 -2.854 2.740 1.00 0.00 C ATOM 781 O TYR A 49 5.247 -1.910 3.509 1.00 0.00 O ATOM 782 CB TYR A 49 3.462 -4.585 2.730 1.00 0.00 C ATOM 783 CG TYR A 49 2.625 -4.117 3.892 1.00 0.00 C ATOM 784 CD1 TYR A 49 1.394 -3.505 3.654 1.00 0.00 C ATOM 785 CD2 TYR A 49 3.079 -4.290 5.204 1.00 0.00 C ATOM 786 CE1 TYR A 49 0.609 -3.067 4.724 1.00 0.00 C ATOM 787 CE2 TYR A 49 2.296 -3.852 6.278 1.00 0.00 C ATOM 788 CZ TYR A 49 1.060 -3.241 6.038 1.00 0.00 C ATOM 789 OH TYR A 49 0.287 -2.809 7.095 1.00 0.00 O ATOM 0 H TYR A 49 4.220 -4.812 0.457 1.00 0.00 H new ATOM 0 HA TYR A 49 3.326 -2.545 1.992 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.855 -5.170 2.039 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.263 -5.236 3.080 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.047 -3.369 2.640 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.033 -4.761 5.388 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.344 -2.595 4.538 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.645 -3.985 7.291 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.419 -2.216 6.763 1.00 0.00 H new ATOM 799 N SER A 50 6.420 -3.454 2.473 1.00 0.00 N ATOM 800 CA SER A 50 7.674 -2.996 3.127 1.00 0.00 C ATOM 801 C SER A 50 8.068 -1.637 2.552 1.00 0.00 C ATOM 802 O SER A 50 8.961 -0.977 3.044 1.00 0.00 O ATOM 803 CB SER A 50 8.719 -4.053 2.777 1.00 0.00 C ATOM 804 OG SER A 50 9.953 -3.414 2.479 1.00 0.00 O ATOM 0 H SER A 50 6.525 -4.240 1.831 1.00 0.00 H new ATOM 0 HA SER A 50 7.572 -2.882 4.206 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.846 -4.745 3.610 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.385 -4.641 1.922 1.00 0.00 H new ATOM 0 HG SER A 50 10.626 -4.090 2.255 1.00 0.00 H new ATOM 810 N ALA A 51 7.385 -1.204 1.528 1.00 0.00 N ATOM 811 CA ALA A 51 7.695 0.123 0.941 1.00 0.00 C ATOM 812 C ALA A 51 7.449 1.193 2.002 1.00 0.00 C ATOM 813 O ALA A 51 8.004 2.271 1.954 1.00 0.00 O ATOM 814 CB ALA A 51 6.721 0.283 -0.227 1.00 0.00 C ATOM 0 H ALA A 51 6.627 -1.714 1.075 1.00 0.00 H new ATOM 0 HA ALA A 51 8.728 0.214 0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.890 1.244 -0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.881 -0.520 -0.947 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.697 0.239 0.144 1.00 0.00 H new ATOM 820 N LEU A 52 6.621 0.894 2.971 1.00 0.00 N ATOM 821 CA LEU A 52 6.348 1.892 4.043 1.00 0.00 C ATOM 822 C LEU A 52 6.715 1.304 5.407 1.00 0.00 C ATOM 823 O LEU A 52 6.192 0.290 5.820 1.00 0.00 O ATOM 824 CB LEU A 52 4.847 2.170 3.957 1.00 0.00 C ATOM 825 CG LEU A 52 4.532 2.932 2.665 1.00 0.00 C ATOM 826 CD1 LEU A 52 3.128 3.523 2.756 1.00 0.00 C ATOM 827 CD2 LEU A 52 5.539 4.067 2.471 1.00 0.00 C ATOM 0 H LEU A 52 6.126 0.007 3.064 1.00 0.00 H new ATOM 0 HA LEU A 52 6.932 2.804 3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.292 1.232 3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.526 2.752 4.821 1.00 0.00 H new ATOM 0 HG LEU A 52 4.593 2.245 1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.901 4.066 1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.403 2.720 2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.075 4.206 3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.309 4.604 1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.481 4.753 3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.546 3.654 2.408 1.00 0.00 H new ATOM 839 N ALA A 53 7.621 1.930 6.101 1.00 0.00 N ATOM 840 CA ALA A 53 8.037 1.406 7.434 1.00 0.00 C ATOM 841 C ALA A 53 6.990 1.748 8.500 1.00 0.00 C ATOM 842 O ALA A 53 6.720 0.966 9.390 1.00 0.00 O ATOM 843 CB ALA A 53 9.359 2.108 7.737 1.00 0.00 C ATOM 0 H ALA A 53 8.094 2.784 5.804 1.00 0.00 H new ATOM 0 HA ALA A 53 8.138 0.321 7.434 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.734 1.776 8.705 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.087 1.863 6.963 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.202 3.186 7.759 1.00 0.00 H new ATOM 849 N LYS A 54 6.408 2.911 8.424 1.00 0.00 N ATOM 850 CA LYS A 54 5.389 3.299 9.441 1.00 0.00 C ATOM 851 C LYS A 54 3.978 2.949 8.957 1.00 0.00 C ATOM 852 O LYS A 54 3.627 3.145 7.807 1.00 0.00 O ATOM 853 CB LYS A 54 5.544 4.812 9.598 1.00 0.00 C ATOM 854 CG LYS A 54 6.370 5.112 10.851 1.00 0.00 C ATOM 855 CD LYS A 54 5.522 5.904 11.849 1.00 0.00 C ATOM 856 CE LYS A 54 4.469 4.983 12.469 1.00 0.00 C ATOM 857 NZ LYS A 54 4.183 5.572 13.808 1.00 0.00 N ATOM 0 H LYS A 54 6.592 3.609 7.704 1.00 0.00 H new ATOM 0 HA LYS A 54 5.532 2.771 10.384 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.032 5.232 8.718 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.564 5.283 9.674 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.710 4.182 11.306 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.261 5.681 10.584 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.157 6.324 12.629 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.038 6.741 11.347 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.569 4.943 11.855 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.840 3.962 12.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.468 4.995 14.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.056 5.591 14.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.824 6.541 13.691 1.00 0.00 H new ATOM 871 N LEU A 55 3.158 2.435 9.828 1.00 0.00 N ATOM 872 CA LEU A 55 1.775 2.084 9.414 1.00 0.00 C ATOM 873 C LEU A 55 0.976 3.357 9.135 1.00 0.00 C ATOM 874 O LEU A 55 0.084 3.372 8.312 1.00 0.00 O ATOM 875 CB LEU A 55 1.176 1.308 10.583 1.00 0.00 C ATOM 876 CG LEU A 55 0.334 0.160 10.026 1.00 0.00 C ATOM 877 CD1 LEU A 55 -0.754 0.732 9.117 1.00 0.00 C ATOM 878 CD2 LEU A 55 1.228 -0.780 9.213 1.00 0.00 C ATOM 0 H LEU A 55 3.385 2.244 10.804 1.00 0.00 H new ATOM 0 HA LEU A 55 1.759 1.490 8.500 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.967 0.920 11.225 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.561 1.965 11.198 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.123 -0.392 10.848 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.358 -0.082 8.716 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.389 1.407 9.690 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.291 1.279 8.295 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.628 -1.599 8.815 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.681 -0.229 8.389 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.012 -1.182 9.855 1.00 0.00 H new ATOM 890 N SER A 56 1.291 4.430 9.810 1.00 0.00 N ATOM 891 CA SER A 56 0.543 5.694 9.565 1.00 0.00 C ATOM 892 C SER A 56 0.648 6.063 8.084 1.00 0.00 C ATOM 893 O SER A 56 -0.331 6.406 7.450 1.00 0.00 O ATOM 894 CB SER A 56 1.238 6.742 10.432 1.00 0.00 C ATOM 895 OG SER A 56 2.639 6.499 10.426 1.00 0.00 O ATOM 0 H SER A 56 2.027 4.485 10.514 1.00 0.00 H new ATOM 0 HA SER A 56 -0.516 5.613 9.809 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.029 7.742 10.053 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.854 6.701 11.451 1.00 0.00 H new ATOM 0 HG SER A 56 3.118 7.347 10.536 1.00 0.00 H new ATOM 901 N GLU A 57 1.820 5.966 7.518 1.00 0.00 N ATOM 902 CA GLU A 57 1.965 6.280 6.070 1.00 0.00 C ATOM 903 C GLU A 57 1.329 5.152 5.256 1.00 0.00 C ATOM 904 O GLU A 57 0.724 5.379 4.226 1.00 0.00 O ATOM 905 CB GLU A 57 3.471 6.377 5.807 1.00 0.00 C ATOM 906 CG GLU A 57 4.163 5.097 6.269 1.00 0.00 C ATOM 907 CD GLU A 57 5.574 5.040 5.684 1.00 0.00 C ATOM 908 OE1 GLU A 57 6.073 6.080 5.286 1.00 0.00 O ATOM 909 OE2 GLU A 57 6.134 3.957 5.643 1.00 0.00 O ATOM 0 H GLU A 57 2.678 5.685 7.993 1.00 0.00 H new ATOM 0 HA GLU A 57 1.471 7.210 5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.654 6.536 4.744 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.886 7.236 6.334 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.208 5.068 7.358 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.590 4.226 5.950 1.00 0.00 H new ATOM 916 N LYS A 58 1.444 3.934 5.723 1.00 0.00 N ATOM 917 CA LYS A 58 0.824 2.794 4.987 1.00 0.00 C ATOM 918 C LYS A 58 -0.682 3.032 4.865 1.00 0.00 C ATOM 919 O LYS A 58 -1.274 2.848 3.819 1.00 0.00 O ATOM 920 CB LYS A 58 1.084 1.565 5.861 1.00 0.00 C ATOM 921 CG LYS A 58 2.471 0.992 5.564 1.00 0.00 C ATOM 922 CD LYS A 58 2.640 -0.330 6.319 1.00 0.00 C ATOM 923 CE LYS A 58 3.880 -1.065 5.804 1.00 0.00 C ATOM 924 NZ LYS A 58 4.743 -1.247 7.004 1.00 0.00 N ATOM 0 H LYS A 58 1.939 3.682 6.579 1.00 0.00 H new ATOM 0 HA LYS A 58 1.231 2.675 3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.012 1.836 6.914 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.322 0.808 5.674 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.590 0.831 4.493 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.243 1.699 5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.736 -0.139 7.388 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.755 -0.952 6.185 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.615 -2.024 5.359 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.391 -0.487 5.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.662 -0.787 6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.281 -0.819 7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.890 -2.262 7.175 1.00 0.00 H new ATOM 938 N LYS A 59 -1.302 3.445 5.938 1.00 0.00 N ATOM 939 CA LYS A 59 -2.770 3.703 5.907 1.00 0.00 C ATOM 940 C LYS A 59 -3.067 4.941 5.059 1.00 0.00 C ATOM 941 O LYS A 59 -4.026 4.980 4.315 1.00 0.00 O ATOM 942 CB LYS A 59 -3.159 3.949 7.364 1.00 0.00 C ATOM 943 CG LYS A 59 -3.421 2.611 8.055 1.00 0.00 C ATOM 944 CD LYS A 59 -4.190 2.852 9.356 1.00 0.00 C ATOM 945 CE LYS A 59 -3.372 2.329 10.539 1.00 0.00 C ATOM 946 NZ LYS A 59 -4.363 1.651 11.420 1.00 0.00 N ATOM 0 H LYS A 59 -0.853 3.615 6.838 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.327 2.874 5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.362 4.486 7.878 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.049 4.576 7.413 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.993 1.956 7.398 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.478 2.107 8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.389 3.916 9.481 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.156 2.349 9.318 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.598 1.636 10.209 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.870 3.142 11.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.911 1.400 12.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.163 2.291 11.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.709 0.788 10.954 1.00 0.00 H new ATOM 960 N GLN A 60 -2.246 5.951 5.160 1.00 0.00 N ATOM 961 CA GLN A 60 -2.484 7.177 4.350 1.00 0.00 C ATOM 962 C GLN A 60 -2.429 6.818 2.867 1.00 0.00 C ATOM 963 O GLN A 60 -3.212 7.297 2.070 1.00 0.00 O ATOM 964 CB GLN A 60 -1.346 8.128 4.720 1.00 0.00 C ATOM 965 CG GLN A 60 -1.665 8.808 6.052 1.00 0.00 C ATOM 966 CD GLN A 60 -3.017 9.518 5.953 1.00 0.00 C ATOM 967 OE1 GLN A 60 -3.143 10.515 5.271 1.00 0.00 O ATOM 968 NE2 GLN A 60 -4.041 9.043 6.608 1.00 0.00 N ATOM 0 H GLN A 60 -1.425 5.979 5.765 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.457 7.629 4.542 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.408 7.578 4.795 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.215 8.877 3.939 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.688 8.069 6.853 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.883 9.525 6.303 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.936 8.206 7.181 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.946 9.509 6.547 1.00 0.00 H new ATOM 977 N ALA A 61 -1.520 5.961 2.495 1.00 0.00 N ATOM 978 CA ALA A 61 -1.429 5.551 1.069 1.00 0.00 C ATOM 979 C ALA A 61 -2.669 4.736 0.702 1.00 0.00 C ATOM 980 O ALA A 61 -3.250 4.905 -0.351 1.00 0.00 O ATOM 981 CB ALA A 61 -0.172 4.686 0.977 1.00 0.00 C ATOM 0 H ALA A 61 -0.837 5.528 3.117 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.377 6.401 0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.039 4.346 -0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.696 5.272 1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.275 3.823 1.635 1.00 0.00 H new ATOM 987 N PHE A 62 -3.082 3.857 1.575 1.00 0.00 N ATOM 988 CA PHE A 62 -4.290 3.033 1.288 1.00 0.00 C ATOM 989 C PHE A 62 -5.516 3.941 1.162 1.00 0.00 C ATOM 990 O PHE A 62 -6.314 3.803 0.254 1.00 0.00 O ATOM 991 CB PHE A 62 -4.426 2.105 2.495 1.00 0.00 C ATOM 992 CG PHE A 62 -5.790 1.460 2.482 1.00 0.00 C ATOM 993 CD1 PHE A 62 -6.406 1.148 1.265 1.00 0.00 C ATOM 994 CD2 PHE A 62 -6.437 1.175 3.688 1.00 0.00 C ATOM 995 CE1 PHE A 62 -7.667 0.551 1.253 1.00 0.00 C ATOM 996 CE2 PHE A 62 -7.703 0.577 3.677 1.00 0.00 C ATOM 997 CZ PHE A 62 -8.318 0.264 2.457 1.00 0.00 C ATOM 0 H PHE A 62 -2.635 3.674 2.474 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.208 2.475 0.356 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.650 1.340 2.468 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.287 2.668 3.418 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.905 1.369 0.334 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.961 1.416 4.627 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.141 0.310 0.313 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.205 0.357 4.608 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.294 -0.198 2.447 1.00 0.00 H new ATOM 1007 N ASN A 63 -5.664 4.884 2.053 1.00 0.00 N ATOM 1008 CA ASN A 63 -6.827 5.811 1.962 1.00 0.00 C ATOM 1009 C ASN A 63 -6.741 6.581 0.646 1.00 0.00 C ATOM 1010 O ASN A 63 -7.721 6.766 -0.048 1.00 0.00 O ATOM 1011 CB ASN A 63 -6.687 6.754 3.158 1.00 0.00 C ATOM 1012 CG ASN A 63 -8.077 7.195 3.621 1.00 0.00 C ATOM 1013 OD1 ASN A 63 -8.757 7.930 2.931 1.00 0.00 O ATOM 1014 ND2 ASN A 63 -8.532 6.776 4.770 1.00 0.00 N ATOM 0 H ASN A 63 -5.033 5.052 2.836 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.787 5.295 1.981 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.162 6.253 3.971 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.090 7.623 2.882 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.457 7.065 5.088 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.963 6.159 5.350 1.00 0.00 H new ATOM 1021 N ALA A 64 -5.562 7.007 0.289 1.00 0.00 N ATOM 1022 CA ALA A 64 -5.390 7.739 -0.993 1.00 0.00 C ATOM 1023 C ALA A 64 -5.677 6.783 -2.152 1.00 0.00 C ATOM 1024 O ALA A 64 -6.206 7.168 -3.176 1.00 0.00 O ATOM 1025 CB ALA A 64 -3.927 8.186 -1.007 1.00 0.00 C ATOM 0 H ALA A 64 -4.708 6.879 0.833 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.064 8.590 -1.092 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.723 8.735 -1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.735 8.831 -0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.279 7.311 -0.956 1.00 0.00 H new ATOM 1031 N TYR A 65 -5.339 5.533 -1.984 1.00 0.00 N ATOM 1032 CA TYR A 65 -5.599 4.537 -3.060 1.00 0.00 C ATOM 1033 C TYR A 65 -7.106 4.449 -3.318 1.00 0.00 C ATOM 1034 O TYR A 65 -7.551 4.410 -4.448 1.00 0.00 O ATOM 1035 CB TYR A 65 -5.062 3.214 -2.505 1.00 0.00 C ATOM 1036 CG TYR A 65 -5.687 2.056 -3.246 1.00 0.00 C ATOM 1037 CD1 TYR A 65 -5.079 1.555 -4.404 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -6.878 1.485 -2.776 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -5.660 0.483 -5.091 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -7.458 0.414 -3.464 1.00 0.00 C ATOM 1041 CZ TYR A 65 -6.850 -0.088 -4.621 1.00 0.00 C ATOM 1042 OH TYR A 65 -7.423 -1.146 -5.298 1.00 0.00 O ATOM 0 H TYR A 65 -4.893 5.159 -1.146 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.125 4.797 -4.006 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.977 3.180 -2.607 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.284 3.139 -1.441 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.162 1.996 -4.767 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -7.347 1.872 -1.883 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.191 0.096 -5.984 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.376 -0.026 -3.102 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.375 -1.202 -5.072 1.00 0.00 H new ATOM 1052 N LYS A 66 -7.893 4.430 -2.278 1.00 0.00 N ATOM 1053 CA LYS A 66 -9.368 4.356 -2.466 1.00 0.00 C ATOM 1054 C LYS A 66 -9.889 5.679 -3.032 1.00 0.00 C ATOM 1055 O LYS A 66 -10.810 5.708 -3.824 1.00 0.00 O ATOM 1056 CB LYS A 66 -9.933 4.120 -1.066 1.00 0.00 C ATOM 1057 CG LYS A 66 -9.280 2.885 -0.445 1.00 0.00 C ATOM 1058 CD LYS A 66 -10.140 2.396 0.723 1.00 0.00 C ATOM 1059 CE LYS A 66 -9.995 3.361 1.901 1.00 0.00 C ATOM 1060 NZ LYS A 66 -11.385 3.796 2.215 1.00 0.00 N ATOM 0 H LYS A 66 -7.579 4.462 -1.308 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.658 3.569 -3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.751 4.993 -0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.013 3.984 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.178 2.098 -1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.276 3.126 -0.097 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.184 2.332 0.418 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.833 1.393 1.020 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.531 2.872 2.758 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.365 4.211 1.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.383 4.803 2.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.990 3.655 1.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.754 3.234 3.009 1.00 0.00 H new ATOM 1074 N VAL A 67 -9.307 6.776 -2.629 1.00 0.00 N ATOM 1075 CA VAL A 67 -9.767 8.100 -3.138 1.00 0.00 C ATOM 1076 C VAL A 67 -9.235 8.341 -4.555 1.00 0.00 C ATOM 1077 O VAL A 67 -9.739 9.173 -5.282 1.00 0.00 O ATOM 1078 CB VAL A 67 -9.178 9.121 -2.167 1.00 0.00 C ATOM 1079 CG1 VAL A 67 -9.670 10.521 -2.535 1.00 0.00 C ATOM 1080 CG2 VAL A 67 -9.624 8.783 -0.742 1.00 0.00 C ATOM 0 H VAL A 67 -8.531 6.812 -1.968 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.854 8.165 -3.193 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.090 9.092 -2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.249 11.249 -1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.354 10.762 -3.550 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.758 10.551 -2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.205 9.511 -0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.712 8.812 -0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.273 7.785 -0.478 1.00 0.00 H new