USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 676 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 80 ASN :FLIP amide:sc= -1.24 F(o=-5.5!,f=-3.3) USER MOD Set 1.2: A 83 MET CE :methyl 158:sc= -2.04! (180deg=-1.63) USER MOD Set 2.1: A 18 SER OG : rot 42:sc= 0.586 USER MOD Set 2.2: A 20 HIS : no HD1:sc= 0 X(o=0.59,f=0.53) USER MOD Single : A 14 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000305) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00187 USER MOD Single : A 17 GLN : amide:sc= -0.0634 K(o=-0.063,f=-0.76) USER MOD Single : A 23 LYS NZ :NH3+ 146:sc= -0.0276 (180deg=-1.49!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 110:sc= -0.165 USER MOD Single : A 30 THR OG1 : rot 180:sc=-0.00507 USER MOD Single : A 31 TYR OH : rot 26:sc= 0.145 USER MOD Single : A 34 SER OG : rot 180:sc= -0.169 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.00501 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -158:sc= -0.397 (180deg=-1.15) USER MOD Single : A 54 THR OG1 : rot -54:sc= 0.0849 USER MOD Single : A 58 SER OG : rot -119:sc= 0.255 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -134:sc= 0.223 (180deg=-0.00312) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.324 K(o=-0.32,f=-9.2!) USER MOD Single : A 73 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.5!) USER MOD Single : A 81 SER OG : rot 180:sc= -0.184 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 162:sc= -0.0172 (180deg=-0.211) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 92 SER OG : rot 25:sc= 0.171 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 14 -18.119 -4.491 -15.164 1.00 0.00 N ATOM 160 CA LYS A 14 -17.143 -3.502 -14.721 1.00 0.00 C ATOM 161 C LYS A 14 -15.908 -3.517 -15.616 1.00 0.00 C ATOM 162 O LYS A 14 -15.811 -4.321 -16.544 1.00 0.00 O ATOM 163 CB LYS A 14 -16.738 -3.769 -13.270 1.00 0.00 C ATOM 164 CG LYS A 14 -15.938 -5.047 -13.087 1.00 0.00 C ATOM 165 CD LYS A 14 -16.152 -5.647 -11.707 1.00 0.00 C ATOM 166 CE LYS A 14 -16.016 -7.161 -11.730 1.00 0.00 C ATOM 167 NZ LYS A 14 -16.607 -7.789 -10.516 1.00 0.00 N ATOM 0 HA LYS A 14 -17.606 -2.517 -14.787 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.150 -2.927 -12.905 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -17.636 -3.821 -12.655 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.228 -5.771 -13.848 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.878 -4.838 -13.233 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.427 -5.226 -11.010 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.142 -5.375 -11.341 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.507 -7.556 -12.619 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -14.962 -7.430 -11.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.479 -8.820 -10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -16.133 -7.418 -9.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.622 -7.568 -10.470 1.00 0.00 H new ATOM 181 N VAL A 15 -14.965 -2.625 -15.331 1.00 0.00 N ATOM 182 CA VAL A 15 -13.735 -2.538 -16.109 1.00 0.00 C ATOM 183 C VAL A 15 -12.539 -2.232 -15.213 1.00 0.00 C ATOM 184 O VAL A 15 -12.667 -1.543 -14.201 1.00 0.00 O ATOM 185 CB VAL A 15 -13.836 -1.455 -17.200 1.00 0.00 C ATOM 186 CG1 VAL A 15 -14.925 -1.807 -18.201 1.00 0.00 C ATOM 187 CG2 VAL A 15 -14.093 -0.093 -16.575 1.00 0.00 C ATOM 0 H VAL A 15 -15.029 -1.952 -14.567 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.591 -3.509 -16.584 1.00 0.00 H new ATOM 0 HB VAL A 15 -12.887 -1.410 -17.734 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.982 -1.031 -18.964 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -14.692 -2.762 -18.671 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -15.883 -1.880 -17.686 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.162 0.660 -17.360 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.028 -0.120 -16.015 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.274 0.159 -15.901 1.00 0.00 H new ATOM 197 N THR A 16 -11.375 -2.749 -15.593 1.00 0.00 N ATOM 198 CA THR A 16 -10.156 -2.532 -14.825 1.00 0.00 C ATOM 199 C THR A 16 -9.356 -1.360 -15.382 1.00 0.00 C ATOM 200 O THR A 16 -9.189 -1.232 -16.594 1.00 0.00 O ATOM 201 CB THR A 16 -9.265 -3.789 -14.817 1.00 0.00 C ATOM 202 OG1 THR A 16 -9.086 -4.270 -16.154 1.00 0.00 O ATOM 203 CG2 THR A 16 -9.880 -4.883 -13.957 1.00 0.00 C ATOM 0 H THR A 16 -11.251 -3.321 -16.428 1.00 0.00 H new ATOM 0 HA THR A 16 -10.463 -2.306 -13.804 1.00 0.00 H new ATOM 0 HB THR A 16 -8.297 -3.519 -14.395 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.517 -5.068 -16.141 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.233 -5.760 -13.967 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.989 -4.524 -12.934 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.860 -5.150 -14.354 1.00 0.00 H new ATOM 211 N GLN A 17 -8.863 -0.508 -14.489 1.00 0.00 N ATOM 212 CA GLN A 17 -8.080 0.654 -14.893 1.00 0.00 C ATOM 213 C GLN A 17 -6.704 0.638 -14.237 1.00 0.00 C ATOM 214 O GLN A 17 -6.573 0.329 -13.052 1.00 0.00 O ATOM 215 CB GLN A 17 -8.818 1.944 -14.528 1.00 0.00 C ATOM 216 CG GLN A 17 -9.091 2.088 -13.040 1.00 0.00 C ATOM 217 CD GLN A 17 -9.661 3.446 -12.681 1.00 0.00 C ATOM 218 OE1 GLN A 17 -9.295 4.462 -13.272 1.00 0.00 O ATOM 219 NE2 GLN A 17 -10.564 3.471 -11.707 1.00 0.00 N ATOM 0 H GLN A 17 -8.992 -0.600 -13.481 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.947 0.613 -15.974 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.230 2.797 -14.865 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.765 1.976 -15.067 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.788 1.311 -12.725 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.165 1.929 -12.487 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.839 2.605 -11.244 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.983 4.356 -11.422 1.00 0.00 H new ATOM 228 N SER A 18 -5.679 0.973 -15.014 1.00 0.00 N ATOM 229 CA SER A 18 -4.311 0.993 -14.509 1.00 0.00 C ATOM 230 C SER A 18 -3.846 2.425 -14.257 1.00 0.00 C ATOM 231 O SER A 18 -3.623 3.190 -15.196 1.00 0.00 O ATOM 232 CB SER A 18 -3.369 0.306 -15.500 1.00 0.00 C ATOM 233 OG SER A 18 -3.412 0.939 -16.767 1.00 0.00 O ATOM 0 H SER A 18 -5.770 1.234 -15.996 1.00 0.00 H new ATOM 0 HA SER A 18 -4.291 0.451 -13.564 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.350 0.328 -15.113 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.648 -0.743 -15.604 1.00 0.00 H new ATOM 0 HG SER A 18 -3.435 1.911 -16.646 1.00 0.00 H new ATOM 239 N ILE A 19 -3.702 2.778 -12.985 1.00 0.00 N ATOM 240 CA ILE A 19 -3.263 4.116 -12.609 1.00 0.00 C ATOM 241 C ILE A 19 -1.747 4.174 -12.456 1.00 0.00 C ATOM 242 O ILE A 19 -1.194 3.708 -11.459 1.00 0.00 O ATOM 243 CB ILE A 19 -3.918 4.574 -11.293 1.00 0.00 C ATOM 244 CG1 ILE A 19 -5.437 4.665 -11.458 1.00 0.00 C ATOM 245 CG2 ILE A 19 -3.347 5.915 -10.855 1.00 0.00 C ATOM 246 CD1 ILE A 19 -6.154 3.363 -11.173 1.00 0.00 C ATOM 0 H ILE A 19 -3.883 2.156 -12.197 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.571 4.786 -13.411 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.698 3.837 -10.520 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.822 5.436 -10.790 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.666 4.981 -12.476 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.820 6.225 -9.923 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.272 5.820 -10.702 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.539 6.662 -11.626 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.227 3.501 -11.309 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.797 2.594 -11.858 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.955 3.055 -10.146 1.00 0.00 H new ATOM 258 N HIS A 20 -1.079 4.751 -13.450 1.00 0.00 N ATOM 259 CA HIS A 20 0.374 4.873 -13.426 1.00 0.00 C ATOM 260 C HIS A 20 0.795 6.271 -12.984 1.00 0.00 C ATOM 261 O HIS A 20 0.753 7.219 -13.768 1.00 0.00 O ATOM 262 CB HIS A 20 0.956 4.565 -14.806 1.00 0.00 C ATOM 263 CG HIS A 20 0.610 3.198 -15.311 1.00 0.00 C ATOM 264 ND1 HIS A 20 0.860 2.046 -14.595 1.00 0.00 N ATOM 265 CD2 HIS A 20 0.029 2.802 -16.467 1.00 0.00 C ATOM 266 CE1 HIS A 20 0.448 1.001 -15.291 1.00 0.00 C ATOM 267 NE2 HIS A 20 -0.060 1.432 -16.431 1.00 0.00 N ATOM 0 H HIS A 20 -1.521 5.141 -14.282 1.00 0.00 H new ATOM 0 HA HIS A 20 0.762 4.152 -12.707 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.595 5.308 -15.517 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.041 4.664 -14.764 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.303 3.444 -17.269 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.515 -0.031 -14.980 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.454 0.844 -17.165 1.00 0.00 H new ATOM 276 N ILE A 21 1.198 6.391 -11.723 1.00 0.00 N ATOM 277 CA ILE A 21 1.626 7.673 -11.177 1.00 0.00 C ATOM 278 C ILE A 21 3.143 7.813 -11.227 1.00 0.00 C ATOM 279 O ILE A 21 3.873 6.900 -10.843 1.00 0.00 O ATOM 280 CB ILE A 21 1.152 7.852 -9.723 1.00 0.00 C ATOM 281 CG1 ILE A 21 -0.325 7.476 -9.594 1.00 0.00 C ATOM 282 CG2 ILE A 21 1.382 9.284 -9.263 1.00 0.00 C ATOM 283 CD1 ILE A 21 -0.712 7.013 -8.207 1.00 0.00 C ATOM 0 H ILE A 21 1.237 5.616 -11.061 1.00 0.00 H new ATOM 0 HA ILE A 21 1.172 8.447 -11.796 1.00 0.00 H new ATOM 0 HB ILE A 21 1.733 7.188 -9.083 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.936 8.337 -9.864 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.554 6.686 -10.309 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.042 9.394 -8.233 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.445 9.519 -9.321 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.824 9.966 -9.905 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.773 6.763 -8.190 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.127 6.132 -7.941 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.515 7.809 -7.489 1.00 0.00 H new ATOM 295 N GLU A 22 3.611 8.963 -11.702 1.00 0.00 N ATOM 296 CA GLU A 22 5.043 9.222 -11.801 1.00 0.00 C ATOM 297 C GLU A 22 5.405 10.540 -11.122 1.00 0.00 C ATOM 298 O GLU A 22 4.766 11.567 -11.352 1.00 0.00 O ATOM 299 CB GLU A 22 5.478 9.254 -13.268 1.00 0.00 C ATOM 300 CG GLU A 22 6.908 8.792 -13.489 1.00 0.00 C ATOM 301 CD GLU A 22 7.491 9.302 -14.792 1.00 0.00 C ATOM 302 OE1 GLU A 22 7.911 10.477 -14.835 1.00 0.00 O ATOM 303 OE2 GLU A 22 7.527 8.526 -15.770 1.00 0.00 O ATOM 0 H GLU A 22 3.020 9.730 -12.024 1.00 0.00 H new ATOM 0 HA GLU A 22 5.569 8.414 -11.292 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.807 8.623 -13.851 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.371 10.270 -13.648 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.528 9.133 -12.660 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.939 7.702 -13.483 1.00 0.00 H new ATOM 310 N LYS A 23 6.435 10.503 -10.284 1.00 0.00 N ATOM 311 CA LYS A 23 6.885 11.693 -9.571 1.00 0.00 C ATOM 312 C LYS A 23 8.257 12.138 -10.067 1.00 0.00 C ATOM 313 O LYS A 23 9.190 11.338 -10.143 1.00 0.00 O ATOM 314 CB LYS A 23 6.939 11.421 -8.066 1.00 0.00 C ATOM 315 CG LYS A 23 5.597 11.034 -7.470 1.00 0.00 C ATOM 316 CD LYS A 23 5.504 11.424 -6.004 1.00 0.00 C ATOM 317 CE LYS A 23 4.080 11.785 -5.612 1.00 0.00 C ATOM 318 NZ LYS A 23 3.808 13.239 -5.787 1.00 0.00 N ATOM 0 H LYS A 23 6.974 9.661 -10.082 1.00 0.00 H new ATOM 0 HA LYS A 23 6.171 12.493 -9.764 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.656 10.622 -7.875 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.310 12.311 -7.557 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.796 11.520 -8.028 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.449 9.959 -7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.855 10.599 -5.384 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.162 12.271 -5.809 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.380 11.209 -6.217 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.908 11.506 -4.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.819 13.375 -6.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.975 13.734 -4.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.440 13.625 -6.517 1.00 0.00 H new ATOM 332 N SER A 24 8.374 13.419 -10.402 1.00 0.00 N ATOM 333 CA SER A 24 9.632 13.969 -10.893 1.00 0.00 C ATOM 334 C SER A 24 10.817 13.364 -10.147 1.00 0.00 C ATOM 335 O SER A 24 11.736 12.819 -10.758 1.00 0.00 O ATOM 336 CB SER A 24 9.641 15.491 -10.740 1.00 0.00 C ATOM 337 OG SER A 24 8.795 16.105 -11.697 1.00 0.00 O ATOM 0 H SER A 24 7.613 14.095 -10.342 1.00 0.00 H new ATOM 0 HA SER A 24 9.723 13.717 -11.949 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.315 15.761 -9.736 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.658 15.865 -10.856 1.00 0.00 H new ATOM 0 HG SER A 24 8.817 17.077 -11.577 1.00 0.00 H new ATOM 343 N ASP A 25 10.788 13.465 -8.823 1.00 0.00 N ATOM 344 CA ASP A 25 11.859 12.928 -7.991 1.00 0.00 C ATOM 345 C ASP A 25 11.314 11.913 -6.992 1.00 0.00 C ATOM 346 O ASP A 25 10.117 11.625 -6.973 1.00 0.00 O ATOM 347 CB ASP A 25 12.575 14.059 -7.250 1.00 0.00 C ATOM 348 CG ASP A 25 11.661 15.235 -6.968 1.00 0.00 C ATOM 349 OD1 ASP A 25 10.485 15.002 -6.621 1.00 0.00 O ATOM 350 OD2 ASP A 25 12.122 16.389 -7.096 1.00 0.00 O ATOM 0 H ASP A 25 10.034 13.914 -8.302 1.00 0.00 H new ATOM 0 HA ASP A 25 12.572 12.423 -8.642 1.00 0.00 H new ATOM 0 HB2 ASP A 25 12.973 13.678 -6.310 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.425 14.397 -7.843 1.00 0.00 H new ATOM 355 N THR A 26 12.201 11.372 -6.162 1.00 0.00 N ATOM 356 CA THR A 26 11.809 10.387 -5.162 1.00 0.00 C ATOM 357 C THR A 26 12.069 10.903 -3.751 1.00 0.00 C ATOM 358 O THR A 26 11.747 10.238 -2.767 1.00 0.00 O ATOM 359 CB THR A 26 12.563 9.058 -5.357 1.00 0.00 C ATOM 360 OG1 THR A 26 12.048 8.067 -4.460 1.00 0.00 O ATOM 361 CG2 THR A 26 14.054 9.241 -5.116 1.00 0.00 C ATOM 0 H THR A 26 13.195 11.600 -6.163 1.00 0.00 H new ATOM 0 HA THR A 26 10.741 10.213 -5.292 1.00 0.00 H new ATOM 0 HB THR A 26 12.415 8.729 -6.386 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.560 7.387 -4.969 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.565 8.289 -5.260 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.449 9.975 -5.819 1.00 0.00 H new ATOM 0 HG23 THR A 26 14.218 9.591 -4.097 1.00 0.00 H new ATOM 369 N ALA A 27 12.654 12.093 -3.660 1.00 0.00 N ATOM 370 CA ALA A 27 12.955 12.700 -2.369 1.00 0.00 C ATOM 371 C ALA A 27 12.194 14.009 -2.187 1.00 0.00 C ATOM 372 O ALA A 27 11.750 14.332 -1.085 1.00 0.00 O ATOM 373 CB ALA A 27 14.452 12.934 -2.231 1.00 0.00 C ATOM 0 H ALA A 27 12.929 12.656 -4.465 1.00 0.00 H new ATOM 0 HA ALA A 27 12.633 12.011 -1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.662 13.388 -1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 27 14.978 11.982 -2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 27 14.791 13.600 -3.024 1.00 0.00 H new ATOM 379 N ALA A 28 12.047 14.759 -3.274 1.00 0.00 N ATOM 380 CA ALA A 28 11.339 16.032 -3.234 1.00 0.00 C ATOM 381 C ALA A 28 9.831 15.825 -3.335 1.00 0.00 C ATOM 382 O ALA A 28 9.065 16.379 -2.547 1.00 0.00 O ATOM 383 CB ALA A 28 11.825 16.941 -4.353 1.00 0.00 C ATOM 0 H ALA A 28 12.409 14.507 -4.194 1.00 0.00 H new ATOM 0 HA ALA A 28 11.551 16.508 -2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.288 17.888 -4.311 1.00 0.00 H new ATOM 0 HB2 ALA A 28 12.893 17.124 -4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.643 16.463 -5.315 1.00 0.00 H new ATOM 389 N ASP A 29 9.413 15.025 -4.310 1.00 0.00 N ATOM 390 CA ASP A 29 7.996 14.744 -4.513 1.00 0.00 C ATOM 391 C ASP A 29 7.599 13.435 -3.839 1.00 0.00 C ATOM 392 O ASP A 29 8.225 12.396 -4.057 1.00 0.00 O ATOM 393 CB ASP A 29 7.677 14.681 -6.008 1.00 0.00 C ATOM 394 CG ASP A 29 7.563 16.056 -6.635 1.00 0.00 C ATOM 395 OD1 ASP A 29 8.556 16.812 -6.589 1.00 0.00 O ATOM 396 OD2 ASP A 29 6.482 16.377 -7.170 1.00 0.00 O ATOM 0 H ASP A 29 10.034 14.560 -4.972 1.00 0.00 H new ATOM 0 HA ASP A 29 7.422 15.552 -4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.456 14.116 -6.519 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.742 14.140 -6.154 1.00 0.00 H new ATOM 401 N THR A 30 6.555 13.490 -3.018 1.00 0.00 N ATOM 402 CA THR A 30 6.075 12.310 -2.310 1.00 0.00 C ATOM 403 C THR A 30 4.560 12.184 -2.415 1.00 0.00 C ATOM 404 O THR A 30 3.847 13.186 -2.487 1.00 0.00 O ATOM 405 CB THR A 30 6.475 12.346 -0.823 1.00 0.00 C ATOM 406 OG1 THR A 30 5.814 11.293 -0.113 1.00 0.00 O ATOM 407 CG2 THR A 30 6.118 13.687 -0.199 1.00 0.00 C ATOM 0 H THR A 30 6.025 14.340 -2.827 1.00 0.00 H new ATOM 0 HA THR A 30 6.542 11.446 -2.783 1.00 0.00 H new ATOM 0 HB THR A 30 7.554 12.208 -0.756 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.074 11.321 0.831 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.410 13.689 0.851 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.645 14.484 -0.723 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.043 13.850 -0.277 1.00 0.00 H new ATOM 415 N TYR A 31 4.073 10.948 -2.422 1.00 0.00 N ATOM 416 CA TYR A 31 2.641 10.692 -2.519 1.00 0.00 C ATOM 417 C TYR A 31 1.926 11.095 -1.233 1.00 0.00 C ATOM 418 O TYR A 31 2.563 11.413 -0.229 1.00 0.00 O ATOM 419 CB TYR A 31 2.385 9.213 -2.816 1.00 0.00 C ATOM 420 CG TYR A 31 3.236 8.665 -3.939 1.00 0.00 C ATOM 421 CD1 TYR A 31 3.025 9.061 -5.254 1.00 0.00 C ATOM 422 CD2 TYR A 31 4.252 7.752 -3.685 1.00 0.00 C ATOM 423 CE1 TYR A 31 3.800 8.562 -6.283 1.00 0.00 C ATOM 424 CE2 TYR A 31 5.032 7.248 -4.708 1.00 0.00 C ATOM 425 CZ TYR A 31 4.802 7.657 -6.005 1.00 0.00 C ATOM 426 OH TYR A 31 5.577 7.158 -7.028 1.00 0.00 O ATOM 0 H TYR A 31 4.649 10.108 -2.362 1.00 0.00 H new ATOM 0 HA TYR A 31 2.245 11.294 -3.337 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.572 8.632 -1.913 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.333 9.079 -3.069 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.242 9.771 -5.475 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.435 7.431 -2.670 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.622 8.879 -7.300 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.817 6.538 -4.493 1.00 0.00 H new ATOM 0 HH TYR A 31 5.592 7.798 -7.770 1.00 0.00 H new ATOM 436 N GLY A 32 0.597 11.078 -1.271 1.00 0.00 N ATOM 437 CA GLY A 32 -0.183 11.443 -0.104 1.00 0.00 C ATOM 438 C GLY A 32 -1.393 10.550 0.087 1.00 0.00 C ATOM 439 O GLY A 32 -2.416 10.983 0.618 1.00 0.00 O ATOM 0 H GLY A 32 0.047 10.818 -2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.448 11.389 0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.511 12.478 -0.199 1.00 0.00 H new ATOM 443 N PHE A 33 -1.279 9.300 -0.349 1.00 0.00 N ATOM 444 CA PHE A 33 -2.373 8.344 -0.226 1.00 0.00 C ATOM 445 C PHE A 33 -1.945 7.130 0.594 1.00 0.00 C ATOM 446 O PHE A 33 -0.907 6.524 0.330 1.00 0.00 O ATOM 447 CB PHE A 33 -2.846 7.897 -1.611 1.00 0.00 C ATOM 448 CG PHE A 33 -2.119 6.691 -2.132 1.00 0.00 C ATOM 449 CD1 PHE A 33 -0.774 6.762 -2.456 1.00 0.00 C ATOM 450 CD2 PHE A 33 -2.781 5.484 -2.297 1.00 0.00 C ATOM 451 CE1 PHE A 33 -0.103 5.654 -2.937 1.00 0.00 C ATOM 452 CE2 PHE A 33 -2.115 4.372 -2.777 1.00 0.00 C ATOM 453 CZ PHE A 33 -0.774 4.457 -3.096 1.00 0.00 C ATOM 0 H PHE A 33 -0.440 8.925 -0.791 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.197 8.837 0.290 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.913 7.678 -1.569 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.717 8.721 -2.313 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.244 7.694 -2.331 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.829 5.412 -2.048 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.945 5.724 -3.188 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.643 3.438 -2.902 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.251 3.589 -3.469 1.00 0.00 H new ATOM 463 N SER A 34 -2.753 6.783 1.591 1.00 0.00 N ATOM 464 CA SER A 34 -2.457 5.644 2.453 1.00 0.00 C ATOM 465 C SER A 34 -3.239 4.411 2.011 1.00 0.00 C ATOM 466 O SER A 34 -4.078 4.482 1.113 1.00 0.00 O ATOM 467 CB SER A 34 -2.791 5.979 3.908 1.00 0.00 C ATOM 468 OG SER A 34 -2.356 4.951 4.781 1.00 0.00 O ATOM 0 H SER A 34 -3.617 7.274 1.822 1.00 0.00 H new ATOM 0 HA SER A 34 -1.392 5.426 2.373 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.317 6.921 4.186 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.867 6.120 4.014 1.00 0.00 H new ATOM 0 HG SER A 34 -2.580 5.190 5.705 1.00 0.00 H new ATOM 474 N LEU A 35 -2.957 3.280 2.649 1.00 0.00 N ATOM 475 CA LEU A 35 -3.632 2.029 2.323 1.00 0.00 C ATOM 476 C LEU A 35 -3.920 1.221 3.585 1.00 0.00 C ATOM 477 O LEU A 35 -3.027 0.977 4.395 1.00 0.00 O ATOM 478 CB LEU A 35 -2.780 1.202 1.359 1.00 0.00 C ATOM 479 CG LEU A 35 -2.783 1.660 -0.100 1.00 0.00 C ATOM 480 CD1 LEU A 35 -1.538 1.164 -0.818 1.00 0.00 C ATOM 481 CD2 LEU A 35 -4.039 1.173 -0.809 1.00 0.00 C ATOM 0 H LEU A 35 -2.265 3.204 3.395 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.580 2.271 1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.751 1.207 1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.125 0.169 1.395 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.778 2.750 -0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.558 1.500 -1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.651 1.561 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.511 0.075 -0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.024 1.508 -1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.074 0.084 -0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.919 1.578 -0.309 1.00 0.00 H new ATOM 493 N SER A 36 -5.174 0.808 3.743 1.00 0.00 N ATOM 494 CA SER A 36 -5.580 0.029 4.907 1.00 0.00 C ATOM 495 C SER A 36 -5.792 -1.435 4.534 1.00 0.00 C ATOM 496 O SER A 36 -6.309 -1.745 3.461 1.00 0.00 O ATOM 497 CB SER A 36 -6.864 0.604 5.509 1.00 0.00 C ATOM 498 OG SER A 36 -7.415 -0.277 6.473 1.00 0.00 O ATOM 0 H SER A 36 -5.925 1.000 3.080 1.00 0.00 H new ATOM 0 HA SER A 36 -4.782 0.086 5.647 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.652 1.568 5.972 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.592 0.783 4.718 1.00 0.00 H new ATOM 0 HG SER A 36 -8.233 0.114 6.844 1.00 0.00 H new ATOM 504 N SER A 37 -5.387 -2.332 5.428 1.00 0.00 N ATOM 505 CA SER A 37 -5.528 -3.764 5.192 1.00 0.00 C ATOM 506 C SER A 37 -6.774 -4.308 5.884 1.00 0.00 C ATOM 507 O SER A 37 -7.040 -3.996 7.045 1.00 0.00 O ATOM 508 CB SER A 37 -4.288 -4.508 5.690 1.00 0.00 C ATOM 509 OG SER A 37 -3.886 -4.035 6.964 1.00 0.00 O ATOM 0 H SER A 37 -4.959 -2.092 6.322 1.00 0.00 H new ATOM 0 HA SER A 37 -5.631 -3.923 4.119 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.499 -5.576 5.745 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.473 -4.380 4.978 1.00 0.00 H new ATOM 0 HG SER A 37 -3.093 -4.528 7.261 1.00 0.00 H new ATOM 515 N VAL A 38 -7.534 -5.125 5.163 1.00 0.00 N ATOM 516 CA VAL A 38 -8.752 -5.716 5.706 1.00 0.00 C ATOM 517 C VAL A 38 -8.913 -7.161 5.250 1.00 0.00 C ATOM 518 O VAL A 38 -9.038 -7.435 4.057 1.00 0.00 O ATOM 519 CB VAL A 38 -9.999 -4.915 5.288 1.00 0.00 C ATOM 520 CG1 VAL A 38 -11.251 -5.511 5.912 1.00 0.00 C ATOM 521 CG2 VAL A 38 -9.846 -3.451 5.673 1.00 0.00 C ATOM 0 H VAL A 38 -7.328 -5.393 4.201 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.659 -5.690 6.792 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.100 -4.973 4.204 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.122 -4.932 5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.367 -6.543 5.581 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.163 -5.486 6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.736 -2.900 5.370 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.719 -3.370 6.753 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.973 -3.033 5.173 1.00 0.00 H new ATOM 531 N GLU A 39 -8.910 -8.083 6.208 1.00 0.00 N ATOM 532 CA GLU A 39 -9.056 -9.501 5.904 1.00 0.00 C ATOM 533 C GLU A 39 -10.520 -9.925 5.974 1.00 0.00 C ATOM 534 O GLU A 39 -11.204 -9.667 6.963 1.00 0.00 O ATOM 535 CB GLU A 39 -8.223 -10.342 6.874 1.00 0.00 C ATOM 536 CG GLU A 39 -7.914 -11.738 6.358 1.00 0.00 C ATOM 537 CD GLU A 39 -8.978 -12.749 6.739 1.00 0.00 C ATOM 538 OE1 GLU A 39 -10.168 -12.490 6.466 1.00 0.00 O ATOM 539 OE2 GLU A 39 -8.619 -13.800 7.310 1.00 0.00 O ATOM 0 H GLU A 39 -8.808 -7.873 7.201 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.696 -9.667 4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.286 -9.824 7.079 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.756 -10.424 7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.819 -11.707 5.273 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.951 -12.063 6.753 1.00 0.00 H new ATOM 546 N GLU A 40 -10.993 -10.576 4.916 1.00 0.00 N ATOM 547 CA GLU A 40 -12.376 -11.035 4.857 1.00 0.00 C ATOM 548 C GLU A 40 -12.454 -12.464 4.327 1.00 0.00 C ATOM 549 O GLU A 40 -12.216 -12.713 3.145 1.00 0.00 O ATOM 550 CB GLU A 40 -13.207 -10.105 3.970 1.00 0.00 C ATOM 551 CG GLU A 40 -13.378 -8.708 4.545 1.00 0.00 C ATOM 552 CD GLU A 40 -14.286 -7.837 3.699 1.00 0.00 C ATOM 553 OE1 GLU A 40 -13.995 -7.670 2.496 1.00 0.00 O ATOM 554 OE2 GLU A 40 -15.287 -7.321 4.239 1.00 0.00 O ATOM 0 H GLU A 40 -10.439 -10.797 4.088 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.780 -11.019 5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.733 -10.031 2.991 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -14.191 -10.548 3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.787 -8.781 5.553 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.401 -8.232 4.631 1.00 0.00 H new ATOM 561 N ASP A 41 -12.787 -13.398 5.211 1.00 0.00 N ATOM 562 CA ASP A 41 -12.896 -14.802 4.833 1.00 0.00 C ATOM 563 C ASP A 41 -11.548 -15.348 4.373 1.00 0.00 C ATOM 564 O ASP A 41 -11.480 -16.183 3.472 1.00 0.00 O ATOM 565 CB ASP A 41 -13.936 -14.975 3.725 1.00 0.00 C ATOM 566 CG ASP A 41 -14.092 -16.421 3.298 1.00 0.00 C ATOM 567 OD1 ASP A 41 -13.844 -17.317 4.132 1.00 0.00 O ATOM 568 OD2 ASP A 41 -14.462 -16.658 2.129 1.00 0.00 O ATOM 0 H ASP A 41 -12.986 -13.209 6.193 1.00 0.00 H new ATOM 0 HA ASP A 41 -13.215 -15.365 5.710 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -14.898 -14.596 4.071 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.648 -14.374 2.863 1.00 0.00 H new ATOM 573 N GLY A 42 -10.477 -14.869 4.998 1.00 0.00 N ATOM 574 CA GLY A 42 -9.145 -15.320 4.637 1.00 0.00 C ATOM 575 C GLY A 42 -8.521 -14.471 3.547 1.00 0.00 C ATOM 576 O GLY A 42 -7.297 -14.399 3.432 1.00 0.00 O ATOM 0 H GLY A 42 -10.507 -14.177 5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.506 -15.299 5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.194 -16.356 4.303 1.00 0.00 H new ATOM 580 N ILE A 43 -9.363 -13.829 2.745 1.00 0.00 N ATOM 581 CA ILE A 43 -8.887 -12.982 1.658 1.00 0.00 C ATOM 582 C ILE A 43 -8.559 -11.579 2.158 1.00 0.00 C ATOM 583 O ILE A 43 -9.439 -10.852 2.619 1.00 0.00 O ATOM 584 CB ILE A 43 -9.926 -12.882 0.525 1.00 0.00 C ATOM 585 CG1 ILE A 43 -10.266 -14.275 -0.009 1.00 0.00 C ATOM 586 CG2 ILE A 43 -9.405 -11.992 -0.594 1.00 0.00 C ATOM 587 CD1 ILE A 43 -11.594 -14.338 -0.730 1.00 0.00 C ATOM 0 H ILE A 43 -10.378 -13.879 2.827 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.982 -13.447 1.269 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.836 -12.435 0.925 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.477 -14.597 -0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.279 -14.981 0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.150 -11.931 -1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.208 -10.994 -0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.483 -12.413 -0.994 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.769 -15.355 -1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -12.393 -14.047 -0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.578 -13.658 -1.581 1.00 0.00 H new ATOM 599 N ARG A 44 -7.288 -11.205 2.061 1.00 0.00 N ATOM 600 CA ARG A 44 -6.844 -9.888 2.503 1.00 0.00 C ATOM 601 C ARG A 44 -6.757 -8.921 1.326 1.00 0.00 C ATOM 602 O ARG A 44 -6.114 -9.210 0.317 1.00 0.00 O ATOM 603 CB ARG A 44 -5.482 -9.991 3.194 1.00 0.00 C ATOM 604 CG ARG A 44 -5.063 -8.715 3.905 1.00 0.00 C ATOM 605 CD ARG A 44 -4.297 -7.785 2.977 1.00 0.00 C ATOM 606 NE ARG A 44 -3.365 -6.929 3.706 1.00 0.00 N ATOM 607 CZ ARG A 44 -2.300 -7.387 4.354 1.00 0.00 C ATOM 608 NH1 ARG A 44 -2.033 -8.686 4.363 1.00 0.00 N ATOM 609 NH2 ARG A 44 -1.499 -6.545 4.995 1.00 0.00 N ATOM 0 H ARG A 44 -6.548 -11.794 1.681 1.00 0.00 H new ATOM 0 HA ARG A 44 -7.576 -9.504 3.213 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.511 -10.807 3.916 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.726 -10.249 2.452 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.946 -8.203 4.287 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.442 -8.964 4.766 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.748 -8.376 2.244 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.002 -7.164 2.423 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.542 -5.924 3.718 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.646 -9.336 3.871 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.214 -9.035 4.861 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.701 -5.545 4.990 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.681 -6.898 5.492 1.00 0.00 H new ATOM 623 N ARG A 45 -7.410 -7.771 1.463 1.00 0.00 N ATOM 624 CA ARG A 45 -7.409 -6.761 0.412 1.00 0.00 C ATOM 625 C ARG A 45 -6.970 -5.406 0.959 1.00 0.00 C ATOM 626 O ARG A 45 -6.906 -5.206 2.173 1.00 0.00 O ATOM 627 CB ARG A 45 -8.799 -6.645 -0.215 1.00 0.00 C ATOM 628 CG ARG A 45 -9.339 -7.961 -0.750 1.00 0.00 C ATOM 629 CD ARG A 45 -10.857 -8.009 -0.684 1.00 0.00 C ATOM 630 NE ARG A 45 -11.383 -9.302 -1.116 1.00 0.00 N ATOM 631 CZ ARG A 45 -11.386 -9.709 -2.380 1.00 0.00 C ATOM 632 NH1 ARG A 45 -10.893 -8.929 -3.332 1.00 0.00 N ATOM 633 NH2 ARG A 45 -11.882 -10.898 -2.694 1.00 0.00 N ATOM 0 H ARG A 45 -7.947 -7.516 2.292 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.698 -7.071 -0.354 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.492 -6.254 0.529 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.762 -5.920 -1.028 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.014 -8.096 -1.782 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.923 -8.787 -0.174 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.182 -7.808 0.337 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.272 -7.221 -1.312 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.769 -9.926 -0.408 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.510 -8.014 -3.094 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.896 -9.244 -4.302 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.262 -11.501 -1.964 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.884 -11.210 -3.665 1.00 0.00 H new ATOM 647 N LEU A 46 -6.669 -4.479 0.057 1.00 0.00 N ATOM 648 CA LEU A 46 -6.236 -3.142 0.449 1.00 0.00 C ATOM 649 C LEU A 46 -7.266 -2.094 0.039 1.00 0.00 C ATOM 650 O LEU A 46 -7.924 -2.226 -0.993 1.00 0.00 O ATOM 651 CB LEU A 46 -4.882 -2.817 -0.184 1.00 0.00 C ATOM 652 CG LEU A 46 -3.649 -3.228 0.622 1.00 0.00 C ATOM 653 CD1 LEU A 46 -3.688 -2.608 2.010 1.00 0.00 C ATOM 654 CD2 LEU A 46 -3.553 -4.744 0.715 1.00 0.00 C ATOM 0 H LEU A 46 -6.717 -4.628 -0.951 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.137 -3.123 1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.833 -3.303 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.834 -1.742 -0.361 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.762 -2.859 0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.803 -2.911 2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.707 -1.522 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.582 -2.946 2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.670 -5.018 1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.443 -5.135 1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.477 -5.166 -0.287 1.00 0.00 H new ATOM 666 N TYR A 47 -7.399 -1.053 0.853 1.00 0.00 N ATOM 667 CA TYR A 47 -8.349 0.018 0.576 1.00 0.00 C ATOM 668 C TYR A 47 -7.698 1.385 0.765 1.00 0.00 C ATOM 669 O TYR A 47 -6.903 1.585 1.683 1.00 0.00 O ATOM 670 CB TYR A 47 -9.571 -0.108 1.486 1.00 0.00 C ATOM 671 CG TYR A 47 -10.349 -1.388 1.281 1.00 0.00 C ATOM 672 CD1 TYR A 47 -10.666 -1.836 0.004 1.00 0.00 C ATOM 673 CD2 TYR A 47 -10.767 -2.152 2.364 1.00 0.00 C ATOM 674 CE1 TYR A 47 -11.377 -3.004 -0.188 1.00 0.00 C ATOM 675 CE2 TYR A 47 -11.478 -3.322 2.182 1.00 0.00 C ATOM 676 CZ TYR A 47 -11.781 -3.744 0.904 1.00 0.00 C ATOM 677 OH TYR A 47 -12.488 -4.909 0.717 1.00 0.00 O ATOM 0 H TYR A 47 -6.861 -0.928 1.710 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.668 -0.072 -0.463 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.247 -0.052 2.525 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -10.232 0.741 1.312 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.351 -1.260 -0.854 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -10.532 -1.825 3.366 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -11.616 -3.336 -1.188 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.795 -3.903 3.035 1.00 0.00 H new ATOM 0 HH TYR A 47 -12.695 -5.309 1.587 1.00 0.00 H new ATOM 687 N VAL A 48 -8.044 2.324 -0.110 1.00 0.00 N ATOM 688 CA VAL A 48 -7.497 3.673 -0.040 1.00 0.00 C ATOM 689 C VAL A 48 -8.236 4.513 0.996 1.00 0.00 C ATOM 690 O VAL A 48 -9.307 5.052 0.723 1.00 0.00 O ATOM 691 CB VAL A 48 -7.572 4.381 -1.406 1.00 0.00 C ATOM 692 CG1 VAL A 48 -7.096 5.821 -1.289 1.00 0.00 C ATOM 693 CG2 VAL A 48 -6.757 3.624 -2.444 1.00 0.00 C ATOM 0 H VAL A 48 -8.701 2.175 -0.876 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.452 3.575 0.254 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.612 4.393 -1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.156 6.305 -2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.727 6.356 -0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.063 5.836 -0.940 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.821 4.138 -3.403 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.715 3.578 -2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.150 2.612 -2.548 1.00 0.00 H new ATOM 703 N ASN A 49 -7.655 4.619 2.186 1.00 0.00 N ATOM 704 CA ASN A 49 -8.259 5.393 3.265 1.00 0.00 C ATOM 705 C ASN A 49 -8.328 6.873 2.899 1.00 0.00 C ATOM 706 O ASN A 49 -9.387 7.495 2.984 1.00 0.00 O ATOM 707 CB ASN A 49 -7.461 5.213 4.558 1.00 0.00 C ATOM 708 CG ASN A 49 -7.858 6.214 5.626 1.00 0.00 C ATOM 709 OD1 ASN A 49 -7.063 7.070 6.015 1.00 0.00 O ATOM 710 ND2 ASN A 49 -9.092 6.110 6.106 1.00 0.00 N ATOM 0 H ASN A 49 -6.767 4.179 2.428 1.00 0.00 H new ATOM 0 HA ASN A 49 -9.274 5.026 3.418 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.612 4.202 4.937 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.398 5.318 4.343 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.415 6.755 6.827 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.717 5.385 5.754 1.00 0.00 H new ATOM 717 N SER A 50 -7.192 7.430 2.492 1.00 0.00 N ATOM 718 CA SER A 50 -7.122 8.837 2.117 1.00 0.00 C ATOM 719 C SER A 50 -6.258 9.026 0.873 1.00 0.00 C ATOM 720 O SER A 50 -5.391 8.204 0.576 1.00 0.00 O ATOM 721 CB SER A 50 -6.561 9.668 3.272 1.00 0.00 C ATOM 722 OG SER A 50 -6.938 11.029 3.151 1.00 0.00 O ATOM 0 H SER A 50 -6.307 6.928 2.414 1.00 0.00 H new ATOM 0 HA SER A 50 -8.133 9.177 1.892 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.923 9.270 4.220 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.474 9.588 3.287 1.00 0.00 H new ATOM 0 HG SER A 50 -6.569 11.539 3.902 1.00 0.00 H new ATOM 728 N VAL A 51 -6.502 10.114 0.150 1.00 0.00 N ATOM 729 CA VAL A 51 -5.746 10.413 -1.060 1.00 0.00 C ATOM 730 C VAL A 51 -5.119 11.800 -0.988 1.00 0.00 C ATOM 731 O VAL A 51 -5.670 12.712 -0.371 1.00 0.00 O ATOM 732 CB VAL A 51 -6.638 10.329 -2.313 1.00 0.00 C ATOM 733 CG1 VAL A 51 -5.834 10.652 -3.563 1.00 0.00 C ATOM 734 CG2 VAL A 51 -7.277 8.953 -2.421 1.00 0.00 C ATOM 0 H VAL A 51 -7.218 10.803 0.381 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.957 9.665 -1.133 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.434 11.068 -2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.481 10.588 -4.438 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.429 11.661 -3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.015 9.939 -3.663 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.904 8.912 -3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.497 8.194 -2.490 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.888 8.765 -1.538 1.00 0.00 H new ATOM 744 N LYS A 52 -3.962 11.954 -1.624 1.00 0.00 N ATOM 745 CA LYS A 52 -3.258 13.231 -1.634 1.00 0.00 C ATOM 746 C LYS A 52 -4.132 14.329 -2.233 1.00 0.00 C ATOM 747 O LYS A 52 -4.783 14.126 -3.257 1.00 0.00 O ATOM 748 CB LYS A 52 -1.955 13.112 -2.428 1.00 0.00 C ATOM 749 CG LYS A 52 -1.116 14.377 -2.413 1.00 0.00 C ATOM 750 CD LYS A 52 0.356 14.074 -2.639 1.00 0.00 C ATOM 751 CE LYS A 52 0.698 14.043 -4.121 1.00 0.00 C ATOM 752 NZ LYS A 52 0.829 15.413 -4.688 1.00 0.00 N ATOM 0 H LYS A 52 -3.492 11.210 -2.139 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.025 13.498 -0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.365 12.290 -2.021 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.191 12.855 -3.461 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.471 15.059 -3.186 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.241 14.886 -1.457 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.965 14.828 -2.140 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.604 13.114 -2.187 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.631 13.499 -4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.077 13.499 -4.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.690 15.377 -5.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.112 16.035 -4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.777 15.786 -4.480 1.00 0.00 H new ATOM 766 N GLU A 53 -4.139 15.491 -1.587 1.00 0.00 N ATOM 767 CA GLU A 53 -4.933 16.620 -2.058 1.00 0.00 C ATOM 768 C GLU A 53 -4.430 17.112 -3.412 1.00 0.00 C ATOM 769 O GLU A 53 -3.231 17.314 -3.607 1.00 0.00 O ATOM 770 CB GLU A 53 -4.889 17.762 -1.040 1.00 0.00 C ATOM 771 CG GLU A 53 -5.883 18.873 -1.329 1.00 0.00 C ATOM 772 CD GLU A 53 -5.485 20.192 -0.696 1.00 0.00 C ATOM 773 OE1 GLU A 53 -4.328 20.620 -0.894 1.00 0.00 O ATOM 774 OE2 GLU A 53 -6.329 20.796 -0.001 1.00 0.00 O ATOM 0 H GLU A 53 -3.605 15.675 -0.738 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.963 16.284 -2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.086 17.359 -0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.883 18.182 -1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.972 19.004 -2.407 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.866 18.580 -0.961 1.00 0.00 H new ATOM 781 N THR A 54 -5.356 17.301 -4.347 1.00 0.00 N ATOM 782 CA THR A 54 -5.008 17.767 -5.684 1.00 0.00 C ATOM 783 C THR A 54 -3.613 17.301 -6.082 1.00 0.00 C ATOM 784 O THR A 54 -2.858 18.040 -6.714 1.00 0.00 O ATOM 785 CB THR A 54 -5.071 19.303 -5.777 1.00 0.00 C ATOM 786 OG1 THR A 54 -5.175 19.707 -7.147 1.00 0.00 O ATOM 787 CG2 THR A 54 -3.837 19.934 -5.150 1.00 0.00 C ATOM 0 H THR A 54 -6.353 17.139 -4.203 1.00 0.00 H new ATOM 0 HA THR A 54 -5.740 17.339 -6.369 1.00 0.00 H new ATOM 0 HB THR A 54 -5.951 19.642 -5.231 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.446 19.304 -7.663 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.904 21.019 -5.228 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.776 19.648 -4.100 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.946 19.587 -5.673 1.00 0.00 H new ATOM 795 N GLY A 55 -3.275 16.071 -5.709 1.00 0.00 N ATOM 796 CA GLY A 55 -1.970 15.528 -6.038 1.00 0.00 C ATOM 797 C GLY A 55 -1.986 14.712 -7.315 1.00 0.00 C ATOM 798 O GLY A 55 -2.644 15.082 -8.289 1.00 0.00 O ATOM 0 H GLY A 55 -3.882 15.440 -5.185 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.256 16.345 -6.142 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.622 14.903 -5.216 1.00 0.00 H new ATOM 802 N LEU A 56 -1.259 13.600 -7.315 1.00 0.00 N ATOM 803 CA LEU A 56 -1.191 12.730 -8.483 1.00 0.00 C ATOM 804 C LEU A 56 -2.252 11.637 -8.412 1.00 0.00 C ATOM 805 O LEU A 56 -3.004 11.425 -9.363 1.00 0.00 O ATOM 806 CB LEU A 56 0.199 12.100 -8.594 1.00 0.00 C ATOM 807 CG LEU A 56 1.367 13.075 -8.753 1.00 0.00 C ATOM 808 CD1 LEU A 56 2.690 12.325 -8.766 1.00 0.00 C ATOM 809 CD2 LEU A 56 1.205 13.897 -10.023 1.00 0.00 C ATOM 0 H LEU A 56 -0.708 13.280 -6.518 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.381 13.337 -9.368 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.374 11.496 -7.704 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.201 11.420 -9.446 1.00 0.00 H new ATOM 0 HG LEU A 56 1.367 13.755 -7.901 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.509 13.035 -8.880 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.809 11.781 -7.829 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.701 11.621 -9.598 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.045 14.585 -10.120 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.179 13.232 -10.886 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.275 14.464 -9.974 1.00 0.00 H new ATOM 821 N ALA A 57 -2.309 10.948 -7.277 1.00 0.00 N ATOM 822 CA ALA A 57 -3.281 9.880 -7.079 1.00 0.00 C ATOM 823 C ALA A 57 -4.682 10.332 -7.478 1.00 0.00 C ATOM 824 O ALA A 57 -5.217 9.900 -8.499 1.00 0.00 O ATOM 825 CB ALA A 57 -3.268 9.415 -5.630 1.00 0.00 C ATOM 0 H ALA A 57 -1.693 11.111 -6.480 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.000 9.044 -7.720 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.999 8.617 -5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.275 9.044 -5.376 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.521 10.251 -4.977 1.00 0.00 H new ATOM 831 N SER A 58 -5.271 11.204 -6.666 1.00 0.00 N ATOM 832 CA SER A 58 -6.612 11.711 -6.932 1.00 0.00 C ATOM 833 C SER A 58 -6.766 12.095 -8.401 1.00 0.00 C ATOM 834 O SER A 58 -7.617 11.557 -9.110 1.00 0.00 O ATOM 835 CB SER A 58 -6.909 12.920 -6.044 1.00 0.00 C ATOM 836 OG SER A 58 -5.876 13.886 -6.135 1.00 0.00 O ATOM 0 H SER A 58 -4.841 11.574 -5.819 1.00 0.00 H new ATOM 0 HA SER A 58 -7.325 10.918 -6.704 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.857 13.368 -6.340 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.019 12.597 -5.009 1.00 0.00 H new ATOM 0 HG SER A 58 -5.475 14.021 -5.251 1.00 0.00 H new ATOM 842 N LYS A 59 -5.936 13.030 -8.851 1.00 0.00 N ATOM 843 CA LYS A 59 -5.977 13.487 -10.235 1.00 0.00 C ATOM 844 C LYS A 59 -6.219 12.320 -11.187 1.00 0.00 C ATOM 845 O LYS A 59 -7.174 12.327 -11.965 1.00 0.00 O ATOM 846 CB LYS A 59 -4.669 14.193 -10.599 1.00 0.00 C ATOM 847 CG LYS A 59 -4.671 15.678 -10.283 1.00 0.00 C ATOM 848 CD LYS A 59 -3.588 16.414 -11.055 1.00 0.00 C ATOM 849 CE LYS A 59 -3.396 17.830 -10.533 1.00 0.00 C ATOM 850 NZ LYS A 59 -4.358 18.784 -11.150 1.00 0.00 N ATOM 0 H LYS A 59 -5.227 13.486 -8.277 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.803 14.191 -10.335 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.848 13.717 -10.063 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.476 14.057 -11.663 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.645 16.102 -10.527 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.519 15.824 -9.213 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.649 15.866 -10.978 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.852 16.447 -12.112 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.521 17.838 -9.450 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.377 18.158 -10.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.195 19.737 -10.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.222 18.796 -12.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.330 18.486 -10.932 1.00 0.00 H new ATOM 864 N LYS A 60 -5.350 11.317 -11.120 1.00 0.00 N ATOM 865 CA LYS A 60 -5.470 10.141 -11.973 1.00 0.00 C ATOM 866 C LYS A 60 -6.873 9.550 -11.890 1.00 0.00 C ATOM 867 O LYS A 60 -7.617 9.550 -12.870 1.00 0.00 O ATOM 868 CB LYS A 60 -4.436 9.087 -11.572 1.00 0.00 C ATOM 869 CG LYS A 60 -3.000 9.526 -11.801 1.00 0.00 C ATOM 870 CD LYS A 60 -2.662 9.581 -13.281 1.00 0.00 C ATOM 871 CE LYS A 60 -1.164 9.466 -13.516 1.00 0.00 C ATOM 872 NZ LYS A 60 -0.835 9.380 -14.966 1.00 0.00 N ATOM 0 H LYS A 60 -4.554 11.295 -10.483 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.285 10.449 -13.002 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.569 8.842 -10.518 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.622 8.174 -12.137 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.843 10.508 -11.355 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.323 8.836 -11.298 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.176 8.774 -13.803 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.027 10.517 -13.704 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.661 10.329 -13.080 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.783 8.582 -13.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.145 8.617 -15.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.700 9.179 -15.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.430 10.283 -15.284 1.00 0.00 H new ATOM 886 N GLY A 61 -7.230 9.046 -10.712 1.00 0.00 N ATOM 887 CA GLY A 61 -8.544 8.460 -10.522 1.00 0.00 C ATOM 888 C GLY A 61 -8.772 7.997 -9.097 1.00 0.00 C ATOM 889 O GLY A 61 -9.898 8.030 -8.599 1.00 0.00 O ATOM 0 H GLY A 61 -6.632 9.033 -9.886 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.307 9.191 -10.789 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.662 7.614 -11.199 1.00 0.00 H new ATOM 893 N LEU A 62 -7.702 7.562 -8.440 1.00 0.00 N ATOM 894 CA LEU A 62 -7.791 7.088 -7.063 1.00 0.00 C ATOM 895 C LEU A 62 -8.703 7.988 -6.235 1.00 0.00 C ATOM 896 O LEU A 62 -8.883 9.165 -6.547 1.00 0.00 O ATOM 897 CB LEU A 62 -6.399 7.034 -6.431 1.00 0.00 C ATOM 898 CG LEU A 62 -5.620 5.734 -6.634 1.00 0.00 C ATOM 899 CD1 LEU A 62 -4.128 5.975 -6.464 1.00 0.00 C ATOM 900 CD2 LEU A 62 -6.104 4.665 -5.665 1.00 0.00 C ATOM 0 H LEU A 62 -6.764 7.528 -8.838 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.217 6.085 -7.077 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.807 7.856 -6.834 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.501 7.210 -5.360 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.797 5.381 -7.650 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.589 5.039 -6.612 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.792 6.707 -7.198 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.932 6.352 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.538 3.747 -5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.957 5.009 -4.641 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.163 4.473 -5.835 1.00 0.00 H new ATOM 912 N LYS A 63 -9.277 7.426 -5.176 1.00 0.00 N ATOM 913 CA LYS A 63 -10.168 8.176 -4.300 1.00 0.00 C ATOM 914 C LYS A 63 -10.480 7.385 -3.034 1.00 0.00 C ATOM 915 O LYS A 63 -10.499 6.154 -3.049 1.00 0.00 O ATOM 916 CB LYS A 63 -11.467 8.520 -5.033 1.00 0.00 C ATOM 917 CG LYS A 63 -12.408 9.396 -4.224 1.00 0.00 C ATOM 918 CD LYS A 63 -13.806 9.409 -4.819 1.00 0.00 C ATOM 919 CE LYS A 63 -13.937 10.457 -5.913 1.00 0.00 C ATOM 920 NZ LYS A 63 -14.221 11.809 -5.356 1.00 0.00 N ATOM 0 H LYS A 63 -9.140 6.452 -4.904 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.664 9.099 -4.015 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.224 9.027 -5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.981 7.596 -5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.452 9.033 -3.197 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.018 10.413 -4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.038 8.425 -5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.535 9.609 -4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.016 10.490 -6.496 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.737 10.171 -6.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.303 12.495 -6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.113 11.784 -4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.446 12.094 -4.724 1.00 0.00 H new ATOM 934 N ALA A 64 -10.726 8.099 -1.941 1.00 0.00 N ATOM 935 CA ALA A 64 -11.041 7.463 -0.668 1.00 0.00 C ATOM 936 C ALA A 64 -12.172 6.451 -0.824 1.00 0.00 C ATOM 937 O ALA A 64 -13.348 6.807 -0.767 1.00 0.00 O ATOM 938 CB ALA A 64 -11.409 8.513 0.370 1.00 0.00 C ATOM 0 H ALA A 64 -10.713 9.118 -1.911 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.154 6.928 -0.329 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.642 8.024 1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.570 9.195 0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.279 9.074 0.028 1.00 0.00 H new ATOM 944 N GLY A 65 -11.806 5.188 -1.023 1.00 0.00 N ATOM 945 CA GLY A 65 -12.802 4.145 -1.185 1.00 0.00 C ATOM 946 C GLY A 65 -12.553 3.292 -2.413 1.00 0.00 C ATOM 947 O GLY A 65 -13.484 2.965 -3.150 1.00 0.00 O ATOM 0 H GLY A 65 -10.839 4.869 -1.075 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.806 3.509 -0.299 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.791 4.599 -1.256 1.00 0.00 H new ATOM 951 N ASP A 66 -11.293 2.932 -2.636 1.00 0.00 N ATOM 952 CA ASP A 66 -10.924 2.112 -3.783 1.00 0.00 C ATOM 953 C ASP A 66 -10.370 0.764 -3.332 1.00 0.00 C ATOM 954 O ASP A 66 -10.129 0.548 -2.145 1.00 0.00 O ATOM 955 CB ASP A 66 -9.891 2.839 -4.645 1.00 0.00 C ATOM 956 CG ASP A 66 -9.992 2.464 -6.111 1.00 0.00 C ATOM 957 OD1 ASP A 66 -10.606 1.421 -6.415 1.00 0.00 O ATOM 958 OD2 ASP A 66 -9.456 3.214 -6.954 1.00 0.00 O ATOM 0 H ASP A 66 -10.511 3.196 -2.037 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.821 1.936 -4.376 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.026 3.915 -4.538 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.890 2.606 -4.282 1.00 0.00 H new ATOM 963 N GLU A 67 -10.173 -0.139 -4.288 1.00 0.00 N ATOM 964 CA GLU A 67 -9.649 -1.466 -3.988 1.00 0.00 C ATOM 965 C GLU A 67 -8.441 -1.785 -4.863 1.00 0.00 C ATOM 966 O GLU A 67 -8.571 -1.983 -6.071 1.00 0.00 O ATOM 967 CB GLU A 67 -10.735 -2.525 -4.193 1.00 0.00 C ATOM 968 CG GLU A 67 -10.280 -3.935 -3.858 1.00 0.00 C ATOM 969 CD GLU A 67 -11.367 -4.968 -4.086 1.00 0.00 C ATOM 970 OE1 GLU A 67 -12.292 -5.049 -3.250 1.00 0.00 O ATOM 971 OE2 GLU A 67 -11.293 -5.695 -5.098 1.00 0.00 O ATOM 0 H GLU A 67 -10.368 0.024 -5.276 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.333 -1.477 -2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.597 -2.274 -3.575 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.068 -2.496 -5.231 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.411 -4.187 -4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.961 -3.972 -2.816 1.00 0.00 H new ATOM 978 N ILE A 68 -7.266 -1.833 -4.244 1.00 0.00 N ATOM 979 CA ILE A 68 -6.034 -2.128 -4.966 1.00 0.00 C ATOM 980 C ILE A 68 -5.844 -3.632 -5.137 1.00 0.00 C ATOM 981 O ILE A 68 -5.372 -4.316 -4.228 1.00 0.00 O ATOM 982 CB ILE A 68 -4.805 -1.546 -4.244 1.00 0.00 C ATOM 983 CG1 ILE A 68 -4.794 -0.020 -4.360 1.00 0.00 C ATOM 984 CG2 ILE A 68 -3.525 -2.135 -4.817 1.00 0.00 C ATOM 985 CD1 ILE A 68 -6.072 0.632 -3.881 1.00 0.00 C ATOM 0 H ILE A 68 -7.141 -1.671 -3.245 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.124 -1.661 -5.947 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.863 -1.812 -3.188 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.957 0.374 -3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.623 0.256 -5.401 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.665 -1.713 -4.296 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.533 -3.217 -4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.458 -1.897 -5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.993 1.713 -3.993 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.911 0.267 -4.473 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.234 0.387 -2.832 1.00 0.00 H new ATOM 997 N LEU A 69 -6.213 -4.139 -6.308 1.00 0.00 N ATOM 998 CA LEU A 69 -6.082 -5.563 -6.600 1.00 0.00 C ATOM 999 C LEU A 69 -4.615 -5.978 -6.635 1.00 0.00 C ATOM 1000 O LEU A 69 -4.187 -6.844 -5.873 1.00 0.00 O ATOM 1001 CB LEU A 69 -6.749 -5.893 -7.936 1.00 0.00 C ATOM 1002 CG LEU A 69 -8.185 -5.396 -8.110 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -8.532 -5.271 -9.585 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -9.161 -6.329 -7.408 1.00 0.00 C ATOM 0 H LEU A 69 -6.605 -3.586 -7.070 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.579 -6.119 -5.806 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.141 -5.472 -8.737 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.742 -6.975 -8.065 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.265 -4.409 -7.654 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.557 -4.916 -9.689 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.853 -4.563 -10.060 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.435 -6.245 -10.065 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.178 -5.960 -7.542 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.079 -7.329 -7.834 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.927 -6.367 -6.344 1.00 0.00 H new ATOM 1016 N GLU A 70 -3.849 -5.352 -7.524 1.00 0.00 N ATOM 1017 CA GLU A 70 -2.429 -5.657 -7.656 1.00 0.00 C ATOM 1018 C GLU A 70 -1.594 -4.380 -7.631 1.00 0.00 C ATOM 1019 O GLU A 70 -2.109 -3.285 -7.858 1.00 0.00 O ATOM 1020 CB GLU A 70 -2.168 -6.425 -8.954 1.00 0.00 C ATOM 1021 CG GLU A 70 -2.439 -7.916 -8.844 1.00 0.00 C ATOM 1022 CD GLU A 70 -1.603 -8.733 -9.810 1.00 0.00 C ATOM 1023 OE1 GLU A 70 -0.392 -8.898 -9.552 1.00 0.00 O ATOM 1024 OE2 GLU A 70 -2.159 -9.208 -10.822 1.00 0.00 O ATOM 0 H GLU A 70 -4.188 -4.632 -8.162 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.137 -6.279 -6.810 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.792 -6.008 -9.745 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.131 -6.274 -9.253 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.235 -8.244 -7.825 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.496 -8.105 -9.034 1.00 0.00 H new ATOM 1031 N ILE A 71 -0.303 -4.530 -7.354 1.00 0.00 N ATOM 1032 CA ILE A 71 0.603 -3.390 -7.299 1.00 0.00 C ATOM 1033 C ILE A 71 1.880 -3.664 -8.086 1.00 0.00 C ATOM 1034 O ILE A 71 2.773 -4.368 -7.615 1.00 0.00 O ATOM 1035 CB ILE A 71 0.975 -3.034 -5.848 1.00 0.00 C ATOM 1036 CG1 ILE A 71 -0.262 -2.559 -5.083 1.00 0.00 C ATOM 1037 CG2 ILE A 71 2.061 -1.969 -5.824 1.00 0.00 C ATOM 1038 CD1 ILE A 71 -0.110 -2.635 -3.580 1.00 0.00 C ATOM 0 H ILE A 71 0.139 -5.430 -7.164 1.00 0.00 H new ATOM 0 HA ILE A 71 0.076 -2.548 -7.747 1.00 0.00 H new ATOM 0 HB ILE A 71 1.361 -3.928 -5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.481 -1.529 -5.366 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.119 -3.162 -5.384 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.312 -1.729 -4.791 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.948 -2.342 -6.336 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.702 -1.072 -6.328 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.025 -2.283 -3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.078 -3.667 -3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.726 -2.010 -3.267 1.00 0.00 H new ATOM 1050 N ASN A 72 1.961 -3.103 -9.288 1.00 0.00 N ATOM 1051 CA ASN A 72 3.129 -3.286 -10.141 1.00 0.00 C ATOM 1052 C ASN A 72 3.357 -4.764 -10.441 1.00 0.00 C ATOM 1053 O ASN A 72 4.491 -5.242 -10.436 1.00 0.00 O ATOM 1054 CB ASN A 72 4.372 -2.692 -9.474 1.00 0.00 C ATOM 1055 CG ASN A 72 4.224 -1.209 -9.193 1.00 0.00 C ATOM 1056 OD1 ASN A 72 3.118 -0.715 -8.973 1.00 0.00 O ATOM 1057 ND2 ASN A 72 5.342 -0.492 -9.201 1.00 0.00 N ATOM 0 H ASN A 72 1.231 -2.517 -9.693 1.00 0.00 H new ATOM 0 HA ASN A 72 2.946 -2.766 -11.082 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.566 -3.219 -8.540 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.238 -2.853 -10.116 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.306 0.511 -9.020 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.237 -0.945 -9.388 1.00 0.00 H new ATOM 1064 N ASN A 73 2.271 -5.484 -10.704 1.00 0.00 N ATOM 1065 CA ASN A 73 2.352 -6.908 -11.006 1.00 0.00 C ATOM 1066 C ASN A 73 2.684 -7.712 -9.753 1.00 0.00 C ATOM 1067 O ASN A 73 3.458 -8.668 -9.804 1.00 0.00 O ATOM 1068 CB ASN A 73 3.407 -7.162 -12.084 1.00 0.00 C ATOM 1069 CG ASN A 73 3.410 -6.089 -13.156 1.00 0.00 C ATOM 1070 OD1 ASN A 73 4.146 -5.106 -13.064 1.00 0.00 O ATOM 1071 ND2 ASN A 73 2.584 -6.273 -14.179 1.00 0.00 N ATOM 0 H ASN A 73 1.324 -5.104 -10.714 1.00 0.00 H new ATOM 0 HA ASN A 73 1.379 -7.232 -11.376 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.392 -7.210 -11.620 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.224 -8.132 -12.546 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.541 -5.584 -14.930 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.992 -7.103 -14.214 1.00 0.00 H new ATOM 1078 N ARG A 74 2.093 -7.319 -8.630 1.00 0.00 N ATOM 1079 CA ARG A 74 2.327 -8.002 -7.364 1.00 0.00 C ATOM 1080 C ARG A 74 1.048 -8.061 -6.533 1.00 0.00 C ATOM 1081 O ARG A 74 0.294 -7.090 -6.466 1.00 0.00 O ATOM 1082 CB ARG A 74 3.429 -7.295 -6.573 1.00 0.00 C ATOM 1083 CG ARG A 74 4.805 -7.415 -7.206 1.00 0.00 C ATOM 1084 CD ARG A 74 5.456 -8.749 -6.874 1.00 0.00 C ATOM 1085 NE ARG A 74 6.912 -8.683 -6.958 1.00 0.00 N ATOM 1086 CZ ARG A 74 7.703 -9.747 -6.867 1.00 0.00 C ATOM 1087 NH1 ARG A 74 7.179 -10.953 -6.691 1.00 0.00 N ATOM 1088 NH2 ARG A 74 9.019 -9.607 -6.953 1.00 0.00 N ATOM 0 H ARG A 74 1.448 -6.531 -8.571 1.00 0.00 H new ATOM 0 HA ARG A 74 2.645 -9.021 -7.584 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.174 -6.240 -6.475 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.464 -7.709 -5.565 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.720 -7.310 -8.288 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.440 -6.602 -6.856 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.164 -9.055 -5.869 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.088 -9.513 -7.559 1.00 0.00 H new ATOM 0 HE ARG A 74 7.346 -7.770 -7.094 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.167 -11.065 -6.625 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.788 -11.768 -6.621 1.00 0.00 H new ATOM 0 HH21 ARG A 74 9.426 -8.682 -7.089 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.625 -10.425 -6.883 1.00 0.00 H new ATOM 1102 N ALA A 75 0.809 -9.206 -5.903 1.00 0.00 N ATOM 1103 CA ALA A 75 -0.377 -9.391 -5.076 1.00 0.00 C ATOM 1104 C ALA A 75 -0.314 -8.522 -3.825 1.00 0.00 C ATOM 1105 O ALA A 75 0.576 -8.682 -2.990 1.00 0.00 O ATOM 1106 CB ALA A 75 -0.533 -10.856 -4.697 1.00 0.00 C ATOM 0 H ALA A 75 1.422 -10.020 -5.950 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.247 -9.083 -5.657 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.423 -10.979 -4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.632 -11.457 -5.601 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.344 -11.183 -4.139 1.00 0.00 H new ATOM 1112 N ALA A 76 -1.265 -7.601 -3.701 1.00 0.00 N ATOM 1113 CA ALA A 76 -1.318 -6.708 -2.550 1.00 0.00 C ATOM 1114 C ALA A 76 -1.134 -7.479 -1.248 1.00 0.00 C ATOM 1115 O ALA A 76 -0.218 -7.199 -0.474 1.00 0.00 O ATOM 1116 CB ALA A 76 -2.636 -5.947 -2.533 1.00 0.00 C ATOM 0 H ALA A 76 -2.009 -7.454 -4.383 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.499 -5.994 -2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.662 -5.284 -1.668 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -2.728 -5.357 -3.445 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.464 -6.654 -2.473 1.00 0.00 H new ATOM 1122 N ASP A 77 -2.009 -8.450 -1.011 1.00 0.00 N ATOM 1123 CA ASP A 77 -1.942 -9.262 0.198 1.00 0.00 C ATOM 1124 C ASP A 77 -0.550 -9.860 0.375 1.00 0.00 C ATOM 1125 O ASP A 77 -0.049 -9.973 1.493 1.00 0.00 O ATOM 1126 CB ASP A 77 -2.987 -10.377 0.148 1.00 0.00 C ATOM 1127 CG ASP A 77 -2.563 -11.528 -0.743 1.00 0.00 C ATOM 1128 OD1 ASP A 77 -2.228 -11.276 -1.919 1.00 0.00 O ATOM 1129 OD2 ASP A 77 -2.566 -12.681 -0.263 1.00 0.00 O ATOM 0 H ASP A 77 -2.773 -8.694 -1.641 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.151 -8.617 1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.166 -10.749 1.157 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.931 -9.970 -0.214 1.00 0.00 H new ATOM 1134 N ALA A 78 0.070 -10.243 -0.737 1.00 0.00 N ATOM 1135 CA ALA A 78 1.404 -10.829 -0.705 1.00 0.00 C ATOM 1136 C ALA A 78 2.437 -9.816 -0.222 1.00 0.00 C ATOM 1137 O ALA A 78 3.420 -10.178 0.426 1.00 0.00 O ATOM 1138 CB ALA A 78 1.782 -11.355 -2.082 1.00 0.00 C ATOM 0 H ALA A 78 -0.331 -10.158 -1.671 1.00 0.00 H new ATOM 0 HA ALA A 78 1.392 -11.661 -0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.781 -11.790 -2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.066 -12.117 -2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.771 -10.535 -2.800 1.00 0.00 H new ATOM 1144 N LEU A 79 2.209 -8.547 -0.541 1.00 0.00 N ATOM 1145 CA LEU A 79 3.120 -7.481 -0.139 1.00 0.00 C ATOM 1146 C LEU A 79 2.794 -6.987 1.266 1.00 0.00 C ATOM 1147 O LEU A 79 1.645 -6.677 1.575 1.00 0.00 O ATOM 1148 CB LEU A 79 3.046 -6.319 -1.131 1.00 0.00 C ATOM 1149 CG LEU A 79 3.138 -6.692 -2.611 1.00 0.00 C ATOM 1150 CD1 LEU A 79 2.666 -5.539 -3.483 1.00 0.00 C ATOM 1151 CD2 LEU A 79 4.562 -7.088 -2.973 1.00 0.00 C ATOM 0 H LEU A 79 1.401 -8.231 -1.077 1.00 0.00 H new ATOM 0 HA LEU A 79 4.133 -7.884 -0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.108 -5.788 -0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.851 -5.621 -0.902 1.00 0.00 H new ATOM 0 HG LEU A 79 2.487 -7.547 -2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.739 -5.823 -4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.630 -5.301 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.291 -4.665 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.609 -7.350 -4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.233 -6.252 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.865 -7.946 -2.372 1.00 0.00 H new ATOM 1163 N ASN A 80 3.816 -6.915 2.114 1.00 0.00 N ATOM 1164 CA ASN A 80 3.638 -6.457 3.487 1.00 0.00 C ATOM 1165 C ASN A 80 4.317 -5.107 3.702 1.00 0.00 C ATOM 1166 O ASN A 80 4.972 -4.580 2.803 1.00 0.00 O ATOM 1167 CB ASN A 80 4.203 -7.487 4.468 1.00 0.00 C ATOM 1168 CG ASN A 80 5.565 -8.002 4.044 1.00 0.00 C ATOM 1169 OD1 ASN A 80 6.513 -7.090 3.865 1.00 0.00 O flip ATOM 1170 ND2 ASN A 80 5.761 -9.206 3.879 1.00 0.00 N flip ATOM 0 H ASN A 80 4.775 -7.168 1.874 1.00 0.00 H new ATOM 0 HA ASN A 80 2.570 -6.340 3.669 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.279 -7.038 5.458 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.510 -8.325 4.550 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.002 -9.871 4.028 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.682 -9.538 3.593 1.00 0.00 H new ATOM 1177 N SER A 81 4.156 -4.555 4.900 1.00 0.00 N ATOM 1178 CA SER A 81 4.751 -3.265 5.233 1.00 0.00 C ATOM 1179 C SER A 81 6.098 -3.093 4.539 1.00 0.00 C ATOM 1180 O SER A 81 6.283 -2.178 3.736 1.00 0.00 O ATOM 1181 CB SER A 81 4.925 -3.136 6.748 1.00 0.00 C ATOM 1182 OG SER A 81 5.803 -4.130 7.247 1.00 0.00 O ATOM 0 H SER A 81 3.619 -4.980 5.656 1.00 0.00 H new ATOM 0 HA SER A 81 4.079 -2.481 4.883 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.315 -2.147 6.989 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.955 -3.224 7.237 1.00 0.00 H new ATOM 0 HG SER A 81 5.899 -4.025 8.217 1.00 0.00 H new ATOM 1188 N SER A 82 7.037 -3.979 4.854 1.00 0.00 N ATOM 1189 CA SER A 82 8.370 -3.924 4.264 1.00 0.00 C ATOM 1190 C SER A 82 8.292 -3.594 2.777 1.00 0.00 C ATOM 1191 O SER A 82 8.669 -2.502 2.352 1.00 0.00 O ATOM 1192 CB SER A 82 9.095 -5.256 4.465 1.00 0.00 C ATOM 1193 OG SER A 82 10.484 -5.122 4.221 1.00 0.00 O ATOM 0 H SER A 82 6.900 -4.744 5.515 1.00 0.00 H new ATOM 0 HA SER A 82 8.930 -3.134 4.765 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.934 -5.611 5.483 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.676 -6.007 3.795 1.00 0.00 H new ATOM 0 HG SER A 82 10.925 -5.986 4.358 1.00 0.00 H new ATOM 1199 N MET A 83 7.800 -4.545 1.991 1.00 0.00 N ATOM 1200 CA MET A 83 7.672 -4.356 0.550 1.00 0.00 C ATOM 1201 C MET A 83 6.902 -3.077 0.237 1.00 0.00 C ATOM 1202 O MET A 83 7.413 -2.182 -0.438 1.00 0.00 O ATOM 1203 CB MET A 83 6.967 -5.557 -0.083 1.00 0.00 C ATOM 1204 CG MET A 83 7.877 -6.758 -0.285 1.00 0.00 C ATOM 1205 SD MET A 83 8.054 -7.755 1.207 1.00 0.00 S ATOM 1206 CE MET A 83 6.717 -8.927 0.991 1.00 0.00 C ATOM 0 H MET A 83 7.483 -5.455 2.327 1.00 0.00 H new ATOM 0 HA MET A 83 8.674 -4.269 0.129 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.128 -5.849 0.548 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.553 -5.259 -1.046 1.00 0.00 H new ATOM 0 HG2 MET A 83 7.479 -7.379 -1.087 1.00 0.00 H new ATOM 0 HG3 MET A 83 8.860 -6.414 -0.606 1.00 0.00 H new ATOM 0 HE1 MET A 83 6.916 -9.819 1.585 1.00 0.00 H new ATOM 0 HE2 MET A 83 5.780 -8.475 1.317 1.00 0.00 H new ATOM 0 HE3 MET A 83 6.640 -9.201 -0.061 1.00 0.00 H new ATOM 1216 N LEU A 84 5.671 -2.996 0.731 1.00 0.00 N ATOM 1217 CA LEU A 84 4.831 -1.826 0.503 1.00 0.00 C ATOM 1218 C LEU A 84 5.651 -0.542 0.582 1.00 0.00 C ATOM 1219 O LEU A 84 5.485 0.365 -0.234 1.00 0.00 O ATOM 1220 CB LEU A 84 3.695 -1.782 1.528 1.00 0.00 C ATOM 1221 CG LEU A 84 2.470 -2.638 1.208 1.00 0.00 C ATOM 1222 CD1 LEU A 84 1.571 -2.761 2.429 1.00 0.00 C ATOM 1223 CD2 LEU A 84 1.700 -2.050 0.034 1.00 0.00 C ATOM 0 H LEU A 84 5.233 -3.727 1.292 1.00 0.00 H new ATOM 0 HA LEU A 84 4.407 -1.904 -0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.091 -2.097 2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.372 -0.747 1.638 1.00 0.00 H new ATOM 0 HG LEU A 84 2.810 -3.636 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.704 -3.374 2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.125 -3.228 3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.239 -1.770 2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.831 -2.673 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.371 -1.041 0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.346 -2.015 -0.843 1.00 0.00 H new ATOM 1235 N LYS A 85 6.539 -0.473 1.568 1.00 0.00 N ATOM 1236 CA LYS A 85 7.389 0.697 1.752 1.00 0.00 C ATOM 1237 C LYS A 85 8.311 0.894 0.552 1.00 0.00 C ATOM 1238 O LYS A 85 8.501 2.016 0.081 1.00 0.00 O ATOM 1239 CB LYS A 85 8.221 0.553 3.028 1.00 0.00 C ATOM 1240 CG LYS A 85 8.852 1.854 3.493 1.00 0.00 C ATOM 1241 CD LYS A 85 10.108 1.604 4.311 1.00 0.00 C ATOM 1242 CE LYS A 85 11.324 1.404 3.418 1.00 0.00 C ATOM 1243 NZ LYS A 85 11.753 2.675 2.772 1.00 0.00 N ATOM 0 H LYS A 85 6.689 -1.214 2.252 1.00 0.00 H new ATOM 0 HA LYS A 85 6.745 1.572 1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.586 0.162 3.823 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.008 -0.182 2.858 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.097 2.470 2.628 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.133 2.415 4.091 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.281 2.447 4.980 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.966 0.723 4.937 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.146 1.002 4.009 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.093 0.666 2.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.730 2.578 2.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.125 2.887 1.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.704 3.450 3.464 1.00 0.00 H new ATOM 1257 N ASP A 86 8.879 -0.202 0.062 1.00 0.00 N ATOM 1258 CA ASP A 86 9.778 -0.149 -1.085 1.00 0.00 C ATOM 1259 C ASP A 86 9.083 0.473 -2.293 1.00 0.00 C ATOM 1260 O ASP A 86 9.632 1.356 -2.951 1.00 0.00 O ATOM 1261 CB ASP A 86 10.276 -1.553 -1.435 1.00 0.00 C ATOM 1262 CG ASP A 86 11.446 -1.528 -2.398 1.00 0.00 C ATOM 1263 OD1 ASP A 86 12.455 -0.861 -2.090 1.00 0.00 O ATOM 1264 OD2 ASP A 86 11.353 -2.178 -3.461 1.00 0.00 O ATOM 0 H ASP A 86 8.733 -1.138 0.441 1.00 0.00 H new ATOM 0 HA ASP A 86 10.631 0.475 -0.818 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.572 -2.069 -0.521 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.460 -2.126 -1.874 1.00 0.00 H new ATOM 1269 N PHE A 87 7.873 0.005 -2.578 1.00 0.00 N ATOM 1270 CA PHE A 87 7.103 0.513 -3.708 1.00 0.00 C ATOM 1271 C PHE A 87 6.803 1.999 -3.536 1.00 0.00 C ATOM 1272 O PHE A 87 6.887 2.776 -4.489 1.00 0.00 O ATOM 1273 CB PHE A 87 5.797 -0.269 -3.856 1.00 0.00 C ATOM 1274 CG PHE A 87 5.919 -1.478 -4.739 1.00 0.00 C ATOM 1275 CD1 PHE A 87 6.527 -1.387 -5.981 1.00 0.00 C ATOM 1276 CD2 PHE A 87 5.425 -2.706 -4.328 1.00 0.00 C ATOM 1277 CE1 PHE A 87 6.641 -2.497 -6.796 1.00 0.00 C ATOM 1278 CE2 PHE A 87 5.537 -3.819 -5.138 1.00 0.00 C ATOM 1279 CZ PHE A 87 6.144 -3.715 -6.375 1.00 0.00 C ATOM 0 H PHE A 87 7.404 -0.725 -2.042 1.00 0.00 H new ATOM 0 HA PHE A 87 7.700 0.382 -4.611 1.00 0.00 H new ATOM 0 HB2 PHE A 87 5.457 -0.583 -2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 87 5.031 0.392 -4.262 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.916 -0.437 -6.316 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.947 -2.794 -3.363 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.118 -2.412 -7.761 1.00 0.00 H new ATOM 0 HE2 PHE A 87 5.150 -4.771 -4.805 1.00 0.00 H new ATOM 0 HZ PHE A 87 6.230 -4.584 -7.011 1.00 0.00 H new ATOM 1289 N LEU A 88 6.451 2.388 -2.315 1.00 0.00 N ATOM 1290 CA LEU A 88 6.137 3.781 -2.017 1.00 0.00 C ATOM 1291 C LEU A 88 7.376 4.660 -2.153 1.00 0.00 C ATOM 1292 O LEU A 88 7.277 5.845 -2.470 1.00 0.00 O ATOM 1293 CB LEU A 88 5.563 3.904 -0.604 1.00 0.00 C ATOM 1294 CG LEU A 88 4.191 3.268 -0.380 1.00 0.00 C ATOM 1295 CD1 LEU A 88 3.764 3.418 1.072 1.00 0.00 C ATOM 1296 CD2 LEU A 88 3.157 3.887 -1.309 1.00 0.00 C ATOM 0 H LEU A 88 6.376 1.759 -1.516 1.00 0.00 H new ATOM 0 HA LEU A 88 5.392 4.121 -2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.269 3.453 0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.497 4.962 -0.351 1.00 0.00 H new ATOM 0 HG LEU A 88 4.263 2.205 -0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.785 2.959 1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.491 2.926 1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.709 4.476 1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.187 3.422 -1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.087 4.957 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.456 3.726 -2.345 1.00 0.00 H new ATOM 1308 N SER A 89 8.543 4.070 -1.912 1.00 0.00 N ATOM 1309 CA SER A 89 9.802 4.800 -2.006 1.00 0.00 C ATOM 1310 C SER A 89 10.139 5.117 -3.460 1.00 0.00 C ATOM 1311 O SER A 89 10.950 5.999 -3.742 1.00 0.00 O ATOM 1312 CB SER A 89 10.934 3.989 -1.373 1.00 0.00 C ATOM 1313 OG SER A 89 12.195 4.581 -1.636 1.00 0.00 O ATOM 0 H SER A 89 8.643 3.089 -1.650 1.00 0.00 H new ATOM 0 HA SER A 89 9.691 5.739 -1.464 1.00 0.00 H new ATOM 0 HB2 SER A 89 10.778 3.921 -0.296 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.918 2.971 -1.763 1.00 0.00 H new ATOM 0 HG SER A 89 12.901 4.045 -1.219 1.00 0.00 H new ATOM 1319 N GLN A 90 9.511 4.390 -4.378 1.00 0.00 N ATOM 1320 CA GLN A 90 9.745 4.592 -5.803 1.00 0.00 C ATOM 1321 C GLN A 90 8.930 5.771 -6.327 1.00 0.00 C ATOM 1322 O GLN A 90 7.792 6.001 -5.917 1.00 0.00 O ATOM 1323 CB GLN A 90 9.391 3.326 -6.585 1.00 0.00 C ATOM 1324 CG GLN A 90 10.230 2.118 -6.198 1.00 0.00 C ATOM 1325 CD GLN A 90 9.922 0.899 -7.044 1.00 0.00 C ATOM 1326 OE1 GLN A 90 9.454 1.017 -8.177 1.00 0.00 O ATOM 1327 NE2 GLN A 90 10.184 -0.283 -6.497 1.00 0.00 N ATOM 0 H GLN A 90 8.837 3.656 -4.161 1.00 0.00 H new ATOM 0 HA GLN A 90 10.803 4.813 -5.943 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.338 3.093 -6.426 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.517 3.520 -7.650 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.286 2.367 -6.298 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.056 1.881 -5.148 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.572 -0.334 -5.555 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.998 -1.139 -7.019 1.00 0.00 H new ATOM 1336 N PRO A 91 9.525 6.537 -7.253 1.00 0.00 N ATOM 1337 CA PRO A 91 8.872 7.705 -7.853 1.00 0.00 C ATOM 1338 C PRO A 91 7.720 7.316 -8.772 1.00 0.00 C ATOM 1339 O PRO A 91 6.780 8.087 -8.965 1.00 0.00 O ATOM 1340 CB PRO A 91 9.996 8.367 -8.654 1.00 0.00 C ATOM 1341 CG PRO A 91 10.945 7.260 -8.961 1.00 0.00 C ATOM 1342 CD PRO A 91 10.880 6.322 -7.787 1.00 0.00 C ATOM 0 HA PRO A 91 8.427 8.355 -7.100 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.615 8.826 -9.566 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.481 9.156 -8.079 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.666 6.751 -9.883 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.957 7.641 -9.101 1.00 0.00 H new ATOM 0 HD2 PRO A 91 11.032 5.286 -8.091 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.645 6.552 -7.046 1.00 0.00 H new ATOM 1350 N SER A 92 7.798 6.115 -9.337 1.00 0.00 N ATOM 1351 CA SER A 92 6.763 5.626 -10.240 1.00 0.00 C ATOM 1352 C SER A 92 6.107 4.366 -9.682 1.00 0.00 C ATOM 1353 O SER A 92 6.787 3.403 -9.328 1.00 0.00 O ATOM 1354 CB SER A 92 7.355 5.337 -11.620 1.00 0.00 C ATOM 1355 OG SER A 92 8.219 4.215 -11.580 1.00 0.00 O ATOM 0 H SER A 92 8.567 5.463 -9.185 1.00 0.00 H new ATOM 0 HA SER A 92 6.002 6.401 -10.334 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.551 5.155 -12.333 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.904 6.210 -11.974 1.00 0.00 H new ATOM 0 HG SER A 92 7.968 3.635 -10.831 1.00 0.00 H new ATOM 1361 N LEU A 93 4.781 4.382 -9.606 1.00 0.00 N ATOM 1362 CA LEU A 93 4.030 3.242 -9.091 1.00 0.00 C ATOM 1363 C LEU A 93 2.848 2.914 -9.997 1.00 0.00 C ATOM 1364 O LEU A 93 2.229 3.807 -10.575 1.00 0.00 O ATOM 1365 CB LEU A 93 3.536 3.529 -7.672 1.00 0.00 C ATOM 1366 CG LEU A 93 4.535 3.260 -6.546 1.00 0.00 C ATOM 1367 CD1 LEU A 93 4.060 3.893 -5.248 1.00 0.00 C ATOM 1368 CD2 LEU A 93 4.746 1.764 -6.366 1.00 0.00 C ATOM 0 H LEU A 93 4.203 5.172 -9.894 1.00 0.00 H new ATOM 0 HA LEU A 93 4.697 2.380 -9.069 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.232 4.575 -7.619 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.645 2.929 -7.491 1.00 0.00 H new ATOM 0 HG LEU A 93 5.489 3.711 -6.818 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.784 3.691 -4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.962 4.970 -5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.093 3.472 -4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 93 5.460 1.592 -5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.797 1.290 -6.117 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.133 1.337 -7.291 1.00 0.00 H new ATOM 1380 N GLY A 94 2.537 1.627 -10.114 1.00 0.00 N ATOM 1381 CA GLY A 94 1.428 1.204 -10.949 1.00 0.00 C ATOM 1382 C GLY A 94 0.395 0.405 -10.180 1.00 0.00 C ATOM 1383 O GLY A 94 0.570 -0.793 -9.951 1.00 0.00 O ATOM 0 H GLY A 94 3.033 0.869 -9.645 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.952 2.081 -11.387 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.808 0.602 -11.774 1.00 0.00 H new ATOM 1387 N LEU A 95 -0.685 1.067 -9.778 1.00 0.00 N ATOM 1388 CA LEU A 95 -1.750 0.411 -9.029 1.00 0.00 C ATOM 1389 C LEU A 95 -2.862 -0.060 -9.961 1.00 0.00 C ATOM 1390 O LEU A 95 -3.066 0.505 -11.036 1.00 0.00 O ATOM 1391 CB LEU A 95 -2.321 1.363 -7.976 1.00 0.00 C ATOM 1392 CG LEU A 95 -1.298 2.066 -7.082 1.00 0.00 C ATOM 1393 CD1 LEU A 95 -1.930 3.263 -6.388 1.00 0.00 C ATOM 1394 CD2 LEU A 95 -0.726 1.095 -6.060 1.00 0.00 C ATOM 0 H LEU A 95 -0.846 2.058 -9.959 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.326 -0.461 -8.531 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.912 2.124 -8.485 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.005 0.801 -7.340 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.481 2.424 -7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.188 3.751 -5.756 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.290 3.969 -7.136 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.766 2.928 -5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.000 1.613 -5.433 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.532 0.706 -5.437 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.236 0.270 -6.577 1.00 0.00 H new ATOM 1406 N LEU A 96 -3.580 -1.096 -9.541 1.00 0.00 N ATOM 1407 CA LEU A 96 -4.673 -1.641 -10.337 1.00 0.00 C ATOM 1408 C LEU A 96 -5.954 -1.732 -9.514 1.00 0.00 C ATOM 1409 O LEU A 96 -6.078 -2.580 -8.630 1.00 0.00 O ATOM 1410 CB LEU A 96 -4.299 -3.025 -10.873 1.00 0.00 C ATOM 1411 CG LEU A 96 -5.406 -3.781 -11.609 1.00 0.00 C ATOM 1412 CD1 LEU A 96 -5.851 -3.010 -12.841 1.00 0.00 C ATOM 1413 CD2 LEU A 96 -4.934 -5.176 -11.992 1.00 0.00 C ATOM 0 H LEU A 96 -3.425 -1.575 -8.654 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.849 -0.968 -11.176 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.451 -2.914 -11.549 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.962 -3.638 -10.037 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.260 -3.879 -10.939 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.639 -3.563 -13.352 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.230 -2.033 -12.542 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.004 -2.880 -13.515 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.734 -5.700 -12.515 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.064 -5.099 -12.644 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.666 -5.729 -11.092 1.00 0.00 H new ATOM 1425 N VAL A 97 -6.906 -0.853 -9.811 1.00 0.00 N ATOM 1426 CA VAL A 97 -8.179 -0.835 -9.100 1.00 0.00 C ATOM 1427 C VAL A 97 -9.334 -1.183 -10.033 1.00 0.00 C ATOM 1428 O VAL A 97 -9.214 -1.074 -11.254 1.00 0.00 O ATOM 1429 CB VAL A 97 -8.446 0.540 -8.461 1.00 0.00 C ATOM 1430 CG1 VAL A 97 -7.465 0.803 -7.329 1.00 0.00 C ATOM 1431 CG2 VAL A 97 -8.369 1.639 -9.511 1.00 0.00 C ATOM 0 H VAL A 97 -6.820 -0.144 -10.539 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.112 -1.586 -8.313 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.453 0.538 -8.043 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.669 1.779 -6.890 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.574 0.032 -6.566 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.447 0.786 -7.718 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.560 2.604 -9.042 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.376 1.644 -9.960 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.116 1.457 -10.284 1.00 0.00 H new ATOM 1441 N ARG A 98 -10.452 -1.601 -9.450 1.00 0.00 N ATOM 1442 CA ARG A 98 -11.630 -1.966 -10.230 1.00 0.00 C ATOM 1443 C ARG A 98 -12.691 -0.872 -10.156 1.00 0.00 C ATOM 1444 O ARG A 98 -12.849 -0.213 -9.128 1.00 0.00 O ATOM 1445 CB ARG A 98 -12.210 -3.289 -9.728 1.00 0.00 C ATOM 1446 CG ARG A 98 -12.968 -4.065 -10.793 1.00 0.00 C ATOM 1447 CD ARG A 98 -13.067 -5.541 -10.441 1.00 0.00 C ATOM 1448 NE ARG A 98 -13.804 -5.760 -9.200 1.00 0.00 N ATOM 1449 CZ ARG A 98 -13.756 -6.892 -8.506 1.00 0.00 C ATOM 1450 NH1 ARG A 98 -13.010 -7.902 -8.930 1.00 0.00 N ATOM 1451 NH2 ARG A 98 -14.455 -7.015 -7.385 1.00 0.00 N ATOM 0 H ARG A 98 -10.568 -1.696 -8.441 1.00 0.00 H new ATOM 0 HA ARG A 98 -11.325 -2.082 -11.270 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.399 -3.910 -9.346 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -12.879 -3.088 -8.891 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -13.969 -3.648 -10.905 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.466 -3.952 -11.754 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.559 -6.075 -11.254 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -12.065 -5.959 -10.346 1.00 0.00 H new ATOM 0 HE ARG A 98 -14.388 -5.002 -8.846 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -12.471 -7.811 -9.791 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.975 -8.770 -8.395 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -15.030 -6.240 -7.055 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -14.417 -7.885 -6.853 1.00 0.00 H new ATOM 1465 N THR A 99 -13.416 -0.683 -11.254 1.00 0.00 N ATOM 1466 CA THR A 99 -14.460 0.332 -11.315 1.00 0.00 C ATOM 1467 C THR A 99 -15.541 -0.051 -12.320 1.00 0.00 C ATOM 1468 O THR A 99 -15.298 -0.832 -13.240 1.00 0.00 O ATOM 1469 CB THR A 99 -13.884 1.709 -11.698 1.00 0.00 C ATOM 1470 OG1 THR A 99 -14.733 2.750 -11.202 1.00 0.00 O ATOM 1471 CG2 THR A 99 -13.746 1.836 -13.207 1.00 0.00 C ATOM 0 H THR A 99 -13.299 -1.220 -12.113 1.00 0.00 H new ATOM 0 HA THR A 99 -14.899 0.394 -10.319 1.00 0.00 H new ATOM 0 HB THR A 99 -12.895 1.803 -11.249 1.00 0.00 H new ATOM 0 HG1 THR A 99 -14.359 3.622 -11.448 1.00 0.00 H new ATOM 0 HG21 THR A 99 -13.338 2.816 -13.454 1.00 0.00 H new ATOM 0 HG22 THR A 99 -13.076 1.060 -13.578 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.725 1.723 -13.673 1.00 0.00 H new ATOM 1479 N TYR A 100 -16.734 0.504 -12.138 1.00 0.00 N ATOM 1480 CA TYR A 100 -17.853 0.218 -13.028 1.00 0.00 C ATOM 1481 C TYR A 100 -18.081 1.369 -14.002 1.00 0.00 C ATOM 1482 O TYR A 100 -17.992 2.545 -13.647 1.00 0.00 O ATOM 1483 CB TYR A 100 -19.125 -0.037 -12.216 1.00 0.00 C ATOM 1484 CG TYR A 100 -18.941 -1.044 -11.103 1.00 0.00 C ATOM 1485 CD1 TYR A 100 -18.521 -0.644 -9.840 1.00 0.00 C ATOM 1486 CD2 TYR A 100 -19.188 -2.395 -11.314 1.00 0.00 C ATOM 1487 CE1 TYR A 100 -18.351 -1.560 -8.821 1.00 0.00 C ATOM 1488 CE2 TYR A 100 -19.022 -3.318 -10.300 1.00 0.00 C ATOM 1489 CZ TYR A 100 -18.603 -2.896 -9.055 1.00 0.00 C ATOM 1490 OH TYR A 100 -18.436 -3.812 -8.042 1.00 0.00 O ATOM 0 H TYR A 100 -16.951 1.154 -11.383 1.00 0.00 H new ATOM 0 HA TYR A 100 -17.610 -0.677 -13.601 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -19.468 0.905 -11.789 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -19.910 -0.388 -12.886 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -18.324 0.401 -9.652 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -19.515 -2.729 -12.287 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -18.022 -1.232 -7.846 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -19.219 -4.364 -10.481 1.00 0.00 H new ATOM 0 HH TYR A 100 -18.656 -4.708 -8.372 1.00 0.00 H new