USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 539 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.00112 X(o=0.0011,f=-0.04) USER MOD Single : A 24 SER OG : rot -89:sc= 1.08 USER MOD Single : A 27 SER OG : rot -84:sc= 0.512 USER MOD Single : A 37 GLN : amide:sc= -0.163 K(o=-0.16,f=-2.4!) USER MOD Single : A 38 GLN : amide:sc= -0.0531 X(o=-0.053,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot -36:sc= -1.03! USER MOD Single : A 63 GLN : amide:sc= -0.661 K(o=-0.66,f=-1.4) USER MOD Single : A 65 MET CE :methyl 171:sc= -2.25! (180deg=-2.3!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= -6.21! K(o=-6.2!,f=-1.3) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 1:sc= -8.26! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.718 K(o=-0.72,f=-0.092) USER MOD Single : A 94 LYS NZ :NH3+ -161:sc= -0.0281 (180deg=-0.252) USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 15 -3.168 7.924 -5.703 1.00 0.00 N ATOM 168 CA GLY A 15 -3.341 8.175 -4.285 1.00 0.00 C ATOM 169 C GLY A 15 -3.531 6.899 -3.489 1.00 0.00 C ATOM 170 O GLY A 15 -4.200 6.897 -2.455 1.00 0.00 O ATOM 0 HA2 GLY A 15 -2.471 8.710 -3.905 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.204 8.824 -4.137 1.00 0.00 H new ATOM 174 N LYS A 16 -2.943 5.810 -3.971 1.00 0.00 N ATOM 175 CA LYS A 16 -3.051 4.520 -3.299 1.00 0.00 C ATOM 176 C LYS A 16 -1.681 4.029 -2.843 1.00 0.00 C ATOM 177 O LYS A 16 -0.785 3.808 -3.658 1.00 0.00 O ATOM 178 CB LYS A 16 -3.690 3.488 -4.230 1.00 0.00 C ATOM 179 CG LYS A 16 -4.665 4.091 -5.228 1.00 0.00 C ATOM 180 CD LYS A 16 -4.847 3.193 -6.441 1.00 0.00 C ATOM 181 CE LYS A 16 -5.637 3.892 -7.537 1.00 0.00 C ATOM 182 NZ LYS A 16 -4.762 4.731 -8.401 1.00 0.00 N ATOM 0 H LYS A 16 -2.386 5.795 -4.825 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.683 4.648 -2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.903 2.965 -4.774 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.212 2.743 -3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.629 4.252 -4.745 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.302 5.068 -5.548 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.871 2.897 -6.826 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.363 2.280 -6.145 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.146 3.147 -8.149 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.409 4.516 -7.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.337 5.191 -9.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.296 5.458 -7.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.041 4.132 -8.851 1.00 0.00 H new ATOM 196 N THR A 17 -1.525 3.857 -1.534 1.00 0.00 N ATOM 197 CA THR A 17 -0.264 3.391 -0.969 1.00 0.00 C ATOM 198 C THR A 17 -0.503 2.396 0.161 1.00 0.00 C ATOM 199 O THR A 17 -1.596 2.331 0.725 1.00 0.00 O ATOM 200 CB THR A 17 0.580 4.564 -0.436 1.00 0.00 C ATOM 201 OG1 THR A 17 1.065 5.354 -1.527 1.00 0.00 O ATOM 202 CG2 THR A 17 1.753 4.055 0.389 1.00 0.00 C ATOM 0 H THR A 17 -2.256 4.033 -0.845 1.00 0.00 H new ATOM 0 HA THR A 17 0.281 2.898 -1.774 1.00 0.00 H new ATOM 0 HB THR A 17 -0.054 5.179 0.203 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.599 6.099 -1.180 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.335 4.901 0.755 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.380 3.478 1.235 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.386 3.421 -0.231 1.00 0.00 H new ATOM 210 N VAL A 18 0.527 1.623 0.490 1.00 0.00 N ATOM 211 CA VAL A 18 0.430 0.632 1.555 1.00 0.00 C ATOM 212 C VAL A 18 1.793 0.366 2.184 1.00 0.00 C ATOM 213 O VAL A 18 2.738 -0.028 1.501 1.00 0.00 O ATOM 214 CB VAL A 18 -0.150 -0.697 1.034 1.00 0.00 C ATOM 215 CG1 VAL A 18 -1.459 -0.456 0.298 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.855 -1.401 0.135 1.00 0.00 C ATOM 0 H VAL A 18 1.439 1.664 0.034 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.241 1.043 2.309 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.354 -1.344 1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.854 -1.406 -0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.179 0.002 0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.284 0.209 -0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.429 -2.338 -0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.093 -0.762 -0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.764 -1.609 0.699 1.00 0.00 H new ATOM 226 N PHE A 19 1.887 0.584 3.492 1.00 0.00 N ATOM 227 CA PHE A 19 3.135 0.369 4.215 1.00 0.00 C ATOM 228 C PHE A 19 2.992 -0.771 5.219 1.00 0.00 C ATOM 229 O PHE A 19 2.164 -0.712 6.128 1.00 0.00 O ATOM 230 CB PHE A 19 3.557 1.650 4.938 1.00 0.00 C ATOM 231 CG PHE A 19 4.846 1.512 5.698 1.00 0.00 C ATOM 232 CD1 PHE A 19 6.016 1.160 5.045 1.00 0.00 C ATOM 233 CD2 PHE A 19 4.886 1.734 7.065 1.00 0.00 C ATOM 234 CE1 PHE A 19 7.203 1.033 5.742 1.00 0.00 C ATOM 235 CE2 PHE A 19 6.070 1.608 7.767 1.00 0.00 C ATOM 236 CZ PHE A 19 7.230 1.256 7.104 1.00 0.00 C ATOM 0 H PHE A 19 1.114 0.909 4.072 1.00 0.00 H new ATOM 0 HA PHE A 19 3.904 0.098 3.491 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.659 2.453 4.208 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.767 1.945 5.629 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.001 0.983 3.980 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.982 2.009 7.588 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.109 0.759 5.221 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.088 1.784 8.832 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.156 1.156 7.650 1.00 0.00 H new ATOM 246 N ILE A 20 3.805 -1.808 5.046 1.00 0.00 N ATOM 247 CA ILE A 20 3.769 -2.962 5.936 1.00 0.00 C ATOM 248 C ILE A 20 4.803 -2.829 7.049 1.00 0.00 C ATOM 249 O ILE A 20 5.945 -2.437 6.807 1.00 0.00 O ATOM 250 CB ILE A 20 4.023 -4.273 5.169 1.00 0.00 C ATOM 251 CG1 ILE A 20 3.265 -4.266 3.840 1.00 0.00 C ATOM 252 CG2 ILE A 20 3.612 -5.469 6.014 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.039 -3.630 2.707 1.00 0.00 C ATOM 0 H ILE A 20 4.496 -1.873 4.298 1.00 0.00 H new ATOM 0 HA ILE A 20 2.770 -2.994 6.372 1.00 0.00 H new ATOM 0 HB ILE A 20 5.089 -4.353 4.957 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.015 -5.292 3.568 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.324 -3.733 3.971 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.798 -6.388 5.458 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.192 -5.479 6.937 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.551 -5.398 6.254 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.441 -3.660 1.796 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.266 -2.594 2.958 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.968 -4.177 2.549 1.00 0.00 H new ATOM 265 N ARG A 21 4.396 -3.159 8.271 1.00 0.00 N ATOM 266 CA ARG A 21 5.287 -3.077 9.422 1.00 0.00 C ATOM 267 C ARG A 21 5.413 -4.434 10.109 1.00 0.00 C ATOM 268 O ARG A 21 4.564 -5.307 9.940 1.00 0.00 O ATOM 269 CB ARG A 21 4.775 -2.034 10.417 1.00 0.00 C ATOM 270 CG ARG A 21 5.302 -0.633 10.155 1.00 0.00 C ATOM 271 CD ARG A 21 4.743 0.368 11.154 1.00 0.00 C ATOM 272 NE ARG A 21 5.236 0.124 12.507 1.00 0.00 N ATOM 273 CZ ARG A 21 4.836 0.812 13.570 1.00 0.00 C ATOM 274 NH1 ARG A 21 3.942 1.782 13.438 1.00 0.00 N ATOM 275 NH2 ARG A 21 5.330 0.531 14.769 1.00 0.00 N ATOM 0 H ARG A 21 3.455 -3.486 8.489 1.00 0.00 H new ATOM 0 HA ARG A 21 6.273 -2.776 9.067 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.686 -2.016 10.383 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.057 -2.337 11.425 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.391 -0.636 10.212 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.036 -0.326 9.143 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.014 1.378 10.846 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.654 0.315 11.150 1.00 0.00 H new ATOM 0 HE ARG A 21 5.925 -0.615 12.643 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.560 2.001 12.518 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.637 2.309 14.256 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.018 -0.214 14.875 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.022 1.060 15.584 1.00 0.00 H new ATOM 289 N ASN A 22 6.479 -4.601 10.885 1.00 0.00 N ATOM 290 CA ASN A 22 6.717 -5.852 11.598 1.00 0.00 C ATOM 291 C ASN A 22 6.937 -7.002 10.620 1.00 0.00 C ATOM 292 O ASN A 22 6.262 -8.030 10.692 1.00 0.00 O ATOM 293 CB ASN A 22 5.538 -6.169 12.519 1.00 0.00 C ATOM 294 CG ASN A 22 5.937 -7.053 13.685 1.00 0.00 C ATOM 295 OD1 ASN A 22 6.815 -6.700 14.474 1.00 0.00 O ATOM 296 ND2 ASN A 22 5.293 -8.209 13.800 1.00 0.00 N ATOM 0 H ASN A 22 7.191 -3.887 11.036 1.00 0.00 H new ATOM 0 HA ASN A 22 7.618 -5.733 12.200 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.117 -5.238 12.899 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.754 -6.662 11.944 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.519 -8.845 14.565 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.573 -8.461 13.123 1.00 0.00 H new ATOM 303 N LEU A 23 7.884 -6.821 9.706 1.00 0.00 N ATOM 304 CA LEU A 23 8.195 -7.844 8.713 1.00 0.00 C ATOM 305 C LEU A 23 9.271 -8.794 9.228 1.00 0.00 C ATOM 306 O LEU A 23 10.020 -8.460 10.146 1.00 0.00 O ATOM 307 CB LEU A 23 8.655 -7.193 7.408 1.00 0.00 C ATOM 308 CG LEU A 23 7.572 -6.484 6.594 1.00 0.00 C ATOM 309 CD1 LEU A 23 8.198 -5.524 5.594 1.00 0.00 C ATOM 310 CD2 LEU A 23 6.690 -7.499 5.881 1.00 0.00 C ATOM 0 H LEU A 23 8.450 -5.976 9.632 1.00 0.00 H new ATOM 0 HA LEU A 23 7.289 -8.420 8.525 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.437 -6.471 7.642 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.108 -7.962 6.782 1.00 0.00 H new ATOM 0 HG LEU A 23 6.949 -5.908 7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.412 -5.029 5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.786 -4.776 6.126 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.845 -6.078 4.914 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.925 -6.976 5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.300 -8.102 5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.213 -8.146 6.617 1.00 0.00 H new ATOM 322 N SER A 24 9.344 -9.978 8.629 1.00 0.00 N ATOM 323 CA SER A 24 10.329 -10.977 9.028 1.00 0.00 C ATOM 324 C SER A 24 11.538 -10.950 8.098 1.00 0.00 C ATOM 325 O SER A 24 11.395 -10.943 6.875 1.00 0.00 O ATOM 326 CB SER A 24 9.701 -12.372 9.025 1.00 0.00 C ATOM 327 OG SER A 24 10.502 -13.294 9.744 1.00 0.00 O ATOM 0 H SER A 24 8.733 -10.269 7.866 1.00 0.00 H new ATOM 0 HA SER A 24 10.664 -10.738 10.038 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.706 -12.327 9.468 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.577 -12.716 7.998 1.00 0.00 H new ATOM 0 HG SER A 24 11.157 -13.700 9.138 1.00 0.00 H new ATOM 333 N PHE A 25 12.729 -10.935 8.686 1.00 0.00 N ATOM 334 CA PHE A 25 13.964 -10.908 7.912 1.00 0.00 C ATOM 335 C PHE A 25 13.860 -11.814 6.689 1.00 0.00 C ATOM 336 O PHE A 25 14.226 -11.423 5.580 1.00 0.00 O ATOM 337 CB PHE A 25 15.146 -11.341 8.782 1.00 0.00 C ATOM 338 CG PHE A 25 15.395 -10.431 9.951 1.00 0.00 C ATOM 339 CD1 PHE A 25 15.496 -9.061 9.770 1.00 0.00 C ATOM 340 CD2 PHE A 25 15.528 -10.946 11.230 1.00 0.00 C ATOM 341 CE1 PHE A 25 15.726 -8.222 10.844 1.00 0.00 C ATOM 342 CE2 PHE A 25 15.758 -10.111 12.308 1.00 0.00 C ATOM 343 CZ PHE A 25 15.856 -8.747 12.115 1.00 0.00 C ATOM 0 H PHE A 25 12.865 -10.941 9.697 1.00 0.00 H new ATOM 0 HA PHE A 25 14.127 -9.885 7.572 1.00 0.00 H new ATOM 0 HB2 PHE A 25 14.965 -12.351 9.150 1.00 0.00 H new ATOM 0 HB3 PHE A 25 16.044 -11.382 8.166 1.00 0.00 H new ATOM 0 HD1 PHE A 25 15.394 -8.644 8.779 1.00 0.00 H new ATOM 0 HD2 PHE A 25 15.451 -12.012 11.387 1.00 0.00 H new ATOM 0 HE1 PHE A 25 15.804 -7.156 10.689 1.00 0.00 H new ATOM 0 HE2 PHE A 25 15.861 -10.525 13.300 1.00 0.00 H new ATOM 0 HZ PHE A 25 16.034 -8.093 12.956 1.00 0.00 H new ATOM 353 N ASP A 26 13.358 -13.026 6.899 1.00 0.00 N ATOM 354 CA ASP A 26 13.204 -13.988 5.815 1.00 0.00 C ATOM 355 C ASP A 26 12.358 -13.405 4.687 1.00 0.00 C ATOM 356 O ASP A 26 12.635 -13.633 3.509 1.00 0.00 O ATOM 357 CB ASP A 26 12.565 -15.277 6.335 1.00 0.00 C ATOM 358 CG ASP A 26 11.224 -15.031 6.999 1.00 0.00 C ATOM 359 OD1 ASP A 26 10.245 -14.753 6.275 1.00 0.00 O ATOM 360 OD2 ASP A 26 11.154 -15.117 8.242 1.00 0.00 O ATOM 0 H ASP A 26 13.051 -13.365 7.811 1.00 0.00 H new ATOM 0 HA ASP A 26 14.195 -14.216 5.421 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.435 -15.974 5.507 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.239 -15.751 7.048 1.00 0.00 H new ATOM 365 N SER A 27 11.326 -12.654 5.055 1.00 0.00 N ATOM 366 CA SER A 27 10.436 -12.043 4.075 1.00 0.00 C ATOM 367 C SER A 27 11.215 -11.586 2.845 1.00 0.00 C ATOM 368 O SER A 27 12.386 -11.220 2.940 1.00 0.00 O ATOM 369 CB SER A 27 9.699 -10.855 4.695 1.00 0.00 C ATOM 370 OG SER A 27 10.481 -9.675 4.623 1.00 0.00 O ATOM 0 H SER A 27 11.085 -12.454 6.026 1.00 0.00 H new ATOM 0 HA SER A 27 9.707 -12.792 3.765 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.753 -10.700 4.177 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.461 -11.074 5.736 1.00 0.00 H new ATOM 0 HG SER A 27 11.106 -9.650 5.378 1.00 0.00 H new ATOM 376 N GLU A 28 10.556 -11.612 1.691 1.00 0.00 N ATOM 377 CA GLU A 28 11.187 -11.201 0.442 1.00 0.00 C ATOM 378 C GLU A 28 10.232 -10.358 -0.398 1.00 0.00 C ATOM 379 O GLU A 28 9.030 -10.617 -0.437 1.00 0.00 O ATOM 380 CB GLU A 28 11.637 -12.428 -0.354 1.00 0.00 C ATOM 381 CG GLU A 28 12.463 -13.411 0.458 1.00 0.00 C ATOM 382 CD GLU A 28 13.217 -14.398 -0.413 1.00 0.00 C ATOM 383 OE1 GLU A 28 13.431 -14.096 -1.605 1.00 0.00 O ATOM 384 OE2 GLU A 28 13.592 -15.474 0.100 1.00 0.00 O ATOM 0 H GLU A 28 9.586 -11.913 1.595 1.00 0.00 H new ATOM 0 HA GLU A 28 12.059 -10.595 0.687 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.757 -12.940 -0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.221 -12.099 -1.214 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.173 -12.860 1.075 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.808 -13.957 1.136 1.00 0.00 H new ATOM 391 N GLU A 29 10.777 -9.348 -1.068 1.00 0.00 N ATOM 392 CA GLU A 29 9.974 -8.465 -1.906 1.00 0.00 C ATOM 393 C GLU A 29 8.947 -9.262 -2.707 1.00 0.00 C ATOM 394 O GLU A 29 7.794 -8.853 -2.834 1.00 0.00 O ATOM 395 CB GLU A 29 10.872 -7.671 -2.856 1.00 0.00 C ATOM 396 CG GLU A 29 10.221 -6.408 -3.396 1.00 0.00 C ATOM 397 CD GLU A 29 11.141 -5.623 -4.311 1.00 0.00 C ATOM 398 OE1 GLU A 29 11.214 -5.962 -5.510 1.00 0.00 O ATOM 399 OE2 GLU A 29 11.787 -4.670 -3.827 1.00 0.00 O ATOM 0 H GLU A 29 11.771 -9.121 -1.047 1.00 0.00 H new ATOM 0 HA GLU A 29 9.443 -7.771 -1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.790 -7.402 -2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.156 -8.309 -3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.315 -6.675 -3.940 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.917 -5.775 -2.562 1.00 0.00 H new ATOM 406 N GLU A 30 9.377 -10.399 -3.243 1.00 0.00 N ATOM 407 CA GLU A 30 8.495 -11.252 -4.032 1.00 0.00 C ATOM 408 C GLU A 30 7.298 -11.711 -3.205 1.00 0.00 C ATOM 409 O GLU A 30 6.148 -11.464 -3.567 1.00 0.00 O ATOM 410 CB GLU A 30 9.261 -12.467 -4.558 1.00 0.00 C ATOM 411 CG GLU A 30 10.736 -12.197 -4.806 1.00 0.00 C ATOM 412 CD GLU A 30 11.360 -13.197 -5.760 1.00 0.00 C ATOM 413 OE1 GLU A 30 11.536 -14.367 -5.363 1.00 0.00 O ATOM 414 OE2 GLU A 30 11.672 -12.808 -6.905 1.00 0.00 O ATOM 0 H GLU A 30 10.329 -10.751 -3.146 1.00 0.00 H new ATOM 0 HA GLU A 30 8.128 -10.669 -4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.165 -13.284 -3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.800 -12.802 -5.487 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.854 -11.192 -5.211 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.271 -12.224 -3.857 1.00 0.00 H new ATOM 421 N ALA A 31 7.578 -12.380 -2.091 1.00 0.00 N ATOM 422 CA ALA A 31 6.525 -12.872 -1.211 1.00 0.00 C ATOM 423 C ALA A 31 5.637 -11.731 -0.726 1.00 0.00 C ATOM 424 O ALA A 31 4.424 -11.741 -0.941 1.00 0.00 O ATOM 425 CB ALA A 31 7.131 -13.612 -0.027 1.00 0.00 C ATOM 0 H ALA A 31 8.525 -12.594 -1.777 1.00 0.00 H new ATOM 0 HA ALA A 31 5.904 -13.564 -1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.334 -13.974 0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.718 -14.457 -0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.776 -12.935 0.533 1.00 0.00 H new ATOM 431 N LEU A 32 6.247 -10.750 -0.070 1.00 0.00 N ATOM 432 CA LEU A 32 5.511 -9.602 0.446 1.00 0.00 C ATOM 433 C LEU A 32 4.424 -9.167 -0.532 1.00 0.00 C ATOM 434 O LEU A 32 3.255 -9.054 -0.166 1.00 0.00 O ATOM 435 CB LEU A 32 6.466 -8.438 0.715 1.00 0.00 C ATOM 436 CG LEU A 32 5.839 -7.179 1.315 1.00 0.00 C ATOM 437 CD1 LEU A 32 6.911 -6.149 1.637 1.00 0.00 C ATOM 438 CD2 LEU A 32 4.803 -6.595 0.365 1.00 0.00 C ATOM 0 H LEU A 32 7.249 -10.727 0.117 1.00 0.00 H new ATOM 0 HA LEU A 32 5.035 -9.897 1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.250 -8.786 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.949 -8.167 -0.224 1.00 0.00 H new ATOM 0 HG LEU A 32 5.338 -7.453 2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.445 -5.260 2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.615 -6.569 2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.442 -5.878 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.367 -5.700 0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.281 -6.337 -0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.018 -7.330 0.186 1.00 0.00 H new ATOM 450 N GLY A 33 4.819 -8.926 -1.779 1.00 0.00 N ATOM 451 CA GLY A 33 3.866 -8.509 -2.790 1.00 0.00 C ATOM 452 C GLY A 33 2.840 -9.582 -3.098 1.00 0.00 C ATOM 453 O GLY A 33 1.636 -9.341 -3.012 1.00 0.00 O ATOM 0 H GLY A 33 5.781 -9.012 -2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.354 -7.608 -2.453 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.401 -8.249 -3.704 1.00 0.00 H new ATOM 457 N GLU A 34 3.317 -10.768 -3.461 1.00 0.00 N ATOM 458 CA GLU A 34 2.432 -11.881 -3.785 1.00 0.00 C ATOM 459 C GLU A 34 1.326 -12.017 -2.743 1.00 0.00 C ATOM 460 O GLU A 34 0.279 -12.610 -3.006 1.00 0.00 O ATOM 461 CB GLU A 34 3.227 -13.185 -3.875 1.00 0.00 C ATOM 462 CG GLU A 34 3.825 -13.440 -5.249 1.00 0.00 C ATOM 463 CD GLU A 34 2.772 -13.519 -6.337 1.00 0.00 C ATOM 464 OE1 GLU A 34 1.840 -14.339 -6.204 1.00 0.00 O ATOM 465 OE2 GLU A 34 2.881 -12.759 -7.323 1.00 0.00 O ATOM 0 H GLU A 34 4.311 -10.983 -3.538 1.00 0.00 H new ATOM 0 HA GLU A 34 1.973 -11.677 -4.752 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.029 -13.163 -3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.574 -14.017 -3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.530 -12.644 -5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.391 -14.371 -5.228 1.00 0.00 H new ATOM 472 N VAL A 35 1.566 -11.465 -1.558 1.00 0.00 N ATOM 473 CA VAL A 35 0.591 -11.524 -0.475 1.00 0.00 C ATOM 474 C VAL A 35 -0.485 -10.457 -0.646 1.00 0.00 C ATOM 475 O VAL A 35 -1.673 -10.723 -0.459 1.00 0.00 O ATOM 476 CB VAL A 35 1.265 -11.342 0.898 1.00 0.00 C ATOM 477 CG1 VAL A 35 0.222 -11.088 1.975 1.00 0.00 C ATOM 478 CG2 VAL A 35 2.112 -12.559 1.240 1.00 0.00 C ATOM 0 H VAL A 35 2.427 -10.972 -1.323 1.00 0.00 H new ATOM 0 HA VAL A 35 0.130 -12.511 -0.517 1.00 0.00 H new ATOM 0 HB VAL A 35 1.921 -10.473 0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.717 -10.962 2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.338 -10.184 1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.462 -11.935 2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.581 -12.414 2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.479 -13.446 1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.884 -12.690 0.481 1.00 0.00 H new ATOM 488 N LEU A 36 -0.062 -9.250 -1.002 1.00 0.00 N ATOM 489 CA LEU A 36 -0.989 -8.141 -1.199 1.00 0.00 C ATOM 490 C LEU A 36 -1.731 -8.281 -2.525 1.00 0.00 C ATOM 491 O LEU A 36 -2.916 -7.963 -2.620 1.00 0.00 O ATOM 492 CB LEU A 36 -0.239 -6.809 -1.159 1.00 0.00 C ATOM 493 CG LEU A 36 0.675 -6.589 0.047 1.00 0.00 C ATOM 494 CD1 LEU A 36 1.453 -5.291 -0.102 1.00 0.00 C ATOM 495 CD2 LEU A 36 -0.135 -6.583 1.336 1.00 0.00 C ATOM 0 H LEU A 36 0.918 -9.014 -1.160 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.720 -8.163 -0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.362 -6.726 -2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.971 -6.002 -1.187 1.00 0.00 H new ATOM 0 HG LEU A 36 1.388 -7.412 0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.098 -5.152 0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.063 -5.334 -1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.757 -4.456 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.532 -6.425 2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.871 -5.780 1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.646 -7.539 1.449 1.00 0.00 H new ATOM 507 N GLN A 37 -1.025 -8.759 -3.544 1.00 0.00 N ATOM 508 CA GLN A 37 -1.618 -8.942 -4.864 1.00 0.00 C ATOM 509 C GLN A 37 -2.978 -9.623 -4.760 1.00 0.00 C ATOM 510 O GLN A 37 -3.892 -9.324 -5.527 1.00 0.00 O ATOM 511 CB GLN A 37 -0.687 -9.768 -5.754 1.00 0.00 C ATOM 512 CG GLN A 37 0.570 -9.024 -6.174 1.00 0.00 C ATOM 513 CD GLN A 37 1.104 -9.491 -7.515 1.00 0.00 C ATOM 514 OE1 GLN A 37 0.408 -10.170 -8.270 1.00 0.00 O ATOM 515 NE2 GLN A 37 2.345 -9.129 -7.817 1.00 0.00 N ATOM 0 H GLN A 37 -0.043 -9.026 -3.482 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.758 -7.958 -5.311 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.402 -10.676 -5.223 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.231 -10.078 -6.646 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.356 -7.956 -6.224 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.339 -9.160 -5.414 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.886 -8.566 -7.161 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.758 -9.414 -8.705 1.00 0.00 H new ATOM 524 N GLN A 38 -3.104 -10.541 -3.807 1.00 0.00 N ATOM 525 CA GLN A 38 -4.353 -11.265 -3.604 1.00 0.00 C ATOM 526 C GLN A 38 -5.536 -10.305 -3.548 1.00 0.00 C ATOM 527 O GLN A 38 -6.625 -10.615 -4.033 1.00 0.00 O ATOM 528 CB GLN A 38 -4.287 -12.088 -2.316 1.00 0.00 C ATOM 529 CG GLN A 38 -4.589 -11.282 -1.063 1.00 0.00 C ATOM 530 CD GLN A 38 -4.648 -12.141 0.184 1.00 0.00 C ATOM 531 OE1 GLN A 38 -5.626 -12.104 0.932 1.00 0.00 O ATOM 532 NE2 GLN A 38 -3.599 -12.922 0.415 1.00 0.00 N ATOM 0 H GLN A 38 -2.356 -10.801 -3.164 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.495 -11.938 -4.450 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.995 -12.914 -2.386 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.293 -12.526 -2.225 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.824 -10.516 -0.936 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.540 -10.765 -1.189 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.810 -12.921 -0.232 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.582 -13.523 1.239 1.00 0.00 H new ATOM 541 N PHE A 39 -5.316 -9.137 -2.954 1.00 0.00 N ATOM 542 CA PHE A 39 -6.365 -8.131 -2.833 1.00 0.00 C ATOM 543 C PHE A 39 -6.560 -7.388 -4.152 1.00 0.00 C ATOM 544 O PHE A 39 -7.688 -7.160 -4.588 1.00 0.00 O ATOM 545 CB PHE A 39 -6.023 -7.137 -1.721 1.00 0.00 C ATOM 546 CG PHE A 39 -5.966 -7.762 -0.356 1.00 0.00 C ATOM 547 CD1 PHE A 39 -7.112 -7.880 0.414 1.00 0.00 C ATOM 548 CD2 PHE A 39 -4.767 -8.230 0.157 1.00 0.00 C ATOM 549 CE1 PHE A 39 -7.063 -8.455 1.671 1.00 0.00 C ATOM 550 CE2 PHE A 39 -4.713 -8.806 1.412 1.00 0.00 C ATOM 551 CZ PHE A 39 -5.862 -8.917 2.170 1.00 0.00 C ATOM 0 H PHE A 39 -4.421 -8.864 -2.549 1.00 0.00 H new ATOM 0 HA PHE A 39 -7.295 -8.641 -2.581 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.061 -6.675 -1.941 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.766 -6.339 -1.716 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -8.054 -7.519 0.028 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.865 -8.144 -0.430 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.963 -8.542 2.261 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.773 -9.169 1.800 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.821 -9.365 3.152 1.00 0.00 H new ATOM 561 N GLY A 40 -5.451 -7.011 -4.782 1.00 0.00 N ATOM 562 CA GLY A 40 -5.521 -6.297 -6.043 1.00 0.00 C ATOM 563 C GLY A 40 -4.167 -6.167 -6.712 1.00 0.00 C ATOM 564 O GLY A 40 -3.131 -6.258 -6.053 1.00 0.00 O ATOM 0 H GLY A 40 -4.506 -7.188 -4.441 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.206 -6.816 -6.713 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.935 -5.303 -5.872 1.00 0.00 H new ATOM 568 N ASP A 41 -4.175 -5.957 -8.023 1.00 0.00 N ATOM 569 CA ASP A 41 -2.937 -5.815 -8.782 1.00 0.00 C ATOM 570 C ASP A 41 -2.031 -4.761 -8.153 1.00 0.00 C ATOM 571 O ASP A 41 -2.434 -3.612 -7.966 1.00 0.00 O ATOM 572 CB ASP A 41 -3.244 -5.441 -10.233 1.00 0.00 C ATOM 573 CG ASP A 41 -3.919 -6.567 -10.991 1.00 0.00 C ATOM 574 OD1 ASP A 41 -3.256 -7.595 -11.240 1.00 0.00 O ATOM 575 OD2 ASP A 41 -5.110 -6.420 -11.335 1.00 0.00 O ATOM 0 H ASP A 41 -5.024 -5.881 -8.583 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.417 -6.773 -8.764 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.885 -4.560 -10.250 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.317 -5.171 -10.739 1.00 0.00 H new ATOM 580 N LEU A 42 -0.807 -5.160 -7.826 1.00 0.00 N ATOM 581 CA LEU A 42 0.157 -4.250 -7.216 1.00 0.00 C ATOM 582 C LEU A 42 0.950 -3.502 -8.283 1.00 0.00 C ATOM 583 O LEU A 42 1.476 -4.105 -9.219 1.00 0.00 O ATOM 584 CB LEU A 42 1.111 -5.023 -6.304 1.00 0.00 C ATOM 585 CG LEU A 42 0.600 -5.315 -4.893 1.00 0.00 C ATOM 586 CD1 LEU A 42 1.314 -6.523 -4.306 1.00 0.00 C ATOM 587 CD2 LEU A 42 0.781 -4.099 -3.997 1.00 0.00 C ATOM 0 H LEU A 42 -0.458 -6.107 -7.973 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.394 -3.521 -6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.353 -5.971 -6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.041 -4.460 -6.223 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.465 -5.541 -4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.937 -6.716 -3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.132 -7.394 -4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.385 -6.326 -4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.412 -4.326 -2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.839 -3.841 -3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.223 -3.258 -4.408 1.00 0.00 H new ATOM 599 N LYS A 43 1.034 -2.184 -8.135 1.00 0.00 N ATOM 600 CA LYS A 43 1.766 -1.352 -9.083 1.00 0.00 C ATOM 601 C LYS A 43 3.271 -1.518 -8.903 1.00 0.00 C ATOM 602 O LYS A 43 4.008 -1.682 -9.875 1.00 0.00 O ATOM 603 CB LYS A 43 1.379 0.118 -8.907 1.00 0.00 C ATOM 604 CG LYS A 43 2.271 1.078 -9.675 1.00 0.00 C ATOM 605 CD LYS A 43 1.865 1.166 -11.137 1.00 0.00 C ATOM 606 CE LYS A 43 2.628 2.264 -11.862 1.00 0.00 C ATOM 607 NZ LYS A 43 3.989 1.818 -12.269 1.00 0.00 N ATOM 0 H LYS A 43 0.604 -1.669 -7.367 1.00 0.00 H new ATOM 0 HA LYS A 43 1.501 -1.673 -10.090 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.348 0.255 -9.232 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.416 0.370 -7.847 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.218 2.068 -9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.308 0.750 -9.603 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.050 0.209 -11.625 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.794 1.358 -11.208 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.068 2.573 -12.745 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.710 3.137 -11.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.476 2.595 -12.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.532 1.547 -11.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.910 1.001 -12.907 1.00 0.00 H new ATOM 621 N TYR A 44 3.721 -1.475 -7.654 1.00 0.00 N ATOM 622 CA TYR A 44 5.139 -1.619 -7.347 1.00 0.00 C ATOM 623 C TYR A 44 5.340 -2.086 -5.908 1.00 0.00 C ATOM 624 O TYR A 44 4.583 -1.715 -5.011 1.00 0.00 O ATOM 625 CB TYR A 44 5.869 -0.294 -7.572 1.00 0.00 C ATOM 626 CG TYR A 44 5.935 0.578 -6.338 1.00 0.00 C ATOM 627 CD1 TYR A 44 6.919 0.383 -5.378 1.00 0.00 C ATOM 628 CD2 TYR A 44 5.012 1.596 -6.133 1.00 0.00 C ATOM 629 CE1 TYR A 44 6.983 1.177 -4.249 1.00 0.00 C ATOM 630 CE2 TYR A 44 5.069 2.395 -5.008 1.00 0.00 C ATOM 631 CZ TYR A 44 6.056 2.182 -4.069 1.00 0.00 C ATOM 632 OH TYR A 44 6.115 2.975 -2.946 1.00 0.00 O ATOM 0 H TYR A 44 3.124 -1.342 -6.838 1.00 0.00 H new ATOM 0 HA TYR A 44 5.555 -2.373 -8.016 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.883 -0.501 -7.915 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.369 0.256 -8.369 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.647 -0.403 -5.516 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.237 1.765 -6.866 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.755 1.011 -3.512 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.344 3.183 -4.864 1.00 0.00 H new ATOM 0 HH TYR A 44 5.391 3.635 -2.973 1.00 0.00 H new ATOM 642 N VAL A 45 6.368 -2.902 -5.696 1.00 0.00 N ATOM 643 CA VAL A 45 6.672 -3.419 -4.367 1.00 0.00 C ATOM 644 C VAL A 45 8.147 -3.234 -4.030 1.00 0.00 C ATOM 645 O VAL A 45 9.021 -3.790 -4.695 1.00 0.00 O ATOM 646 CB VAL A 45 6.313 -4.912 -4.250 1.00 0.00 C ATOM 647 CG1 VAL A 45 6.908 -5.697 -5.409 1.00 0.00 C ATOM 648 CG2 VAL A 45 6.787 -5.471 -2.917 1.00 0.00 C ATOM 0 H VAL A 45 7.004 -3.219 -6.428 1.00 0.00 H new ATOM 0 HA VAL A 45 6.067 -2.851 -3.660 1.00 0.00 H new ATOM 0 HB VAL A 45 5.228 -5.012 -4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.644 -6.750 -5.309 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.514 -5.312 -6.350 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.993 -5.593 -5.400 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.525 -6.527 -2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.869 -5.360 -2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.308 -4.927 -2.103 1.00 0.00 H new ATOM 658 N ARG A 46 8.417 -2.450 -2.991 1.00 0.00 N ATOM 659 CA ARG A 46 9.787 -2.191 -2.565 1.00 0.00 C ATOM 660 C ARG A 46 9.927 -2.353 -1.054 1.00 0.00 C ATOM 661 O ARG A 46 9.120 -1.830 -0.286 1.00 0.00 O ATOM 662 CB ARG A 46 10.215 -0.782 -2.979 1.00 0.00 C ATOM 663 CG ARG A 46 11.718 -0.627 -3.149 1.00 0.00 C ATOM 664 CD ARG A 46 12.086 0.781 -3.590 1.00 0.00 C ATOM 665 NE ARG A 46 13.514 0.911 -3.869 1.00 0.00 N ATOM 666 CZ ARG A 46 14.105 0.384 -4.935 1.00 0.00 C ATOM 667 NH1 ARG A 46 13.396 -0.306 -5.818 1.00 0.00 N ATOM 668 NH2 ARG A 46 15.409 0.546 -5.119 1.00 0.00 N ATOM 0 H ARG A 46 7.705 -1.983 -2.429 1.00 0.00 H new ATOM 0 HA ARG A 46 10.436 -2.919 -3.053 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.723 -0.523 -3.917 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.867 -0.071 -2.230 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.217 -0.857 -2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.078 -1.346 -3.885 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.517 1.042 -4.482 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.802 1.490 -2.812 1.00 0.00 H new ATOM 0 HE ARG A 46 14.088 1.435 -3.209 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.393 -0.433 -5.679 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.853 -0.709 -6.636 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.958 1.075 -4.442 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.863 0.141 -5.938 1.00 0.00 H new ATOM 682 N VAL A 47 10.956 -3.083 -0.635 1.00 0.00 N ATOM 683 CA VAL A 47 11.202 -3.314 0.783 1.00 0.00 C ATOM 684 C VAL A 47 12.546 -2.733 1.210 1.00 0.00 C ATOM 685 O VAL A 47 13.602 -3.250 0.845 1.00 0.00 O ATOM 686 CB VAL A 47 11.174 -4.817 1.120 1.00 0.00 C ATOM 687 CG1 VAL A 47 11.964 -5.610 0.090 1.00 0.00 C ATOM 688 CG2 VAL A 47 11.716 -5.058 2.521 1.00 0.00 C ATOM 0 H VAL A 47 11.633 -3.524 -1.258 1.00 0.00 H new ATOM 0 HA VAL A 47 10.403 -2.812 1.329 1.00 0.00 H new ATOM 0 HB VAL A 47 10.140 -5.159 1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 47 11.933 -6.669 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 47 11.527 -5.461 -0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.999 -5.269 0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.689 -6.125 2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.744 -4.701 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 47 11.104 -4.521 3.245 1.00 0.00 H new ATOM 698 N VAL A 48 12.498 -1.655 1.986 1.00 0.00 N ATOM 699 CA VAL A 48 13.712 -1.004 2.464 1.00 0.00 C ATOM 700 C VAL A 48 14.560 -1.962 3.293 1.00 0.00 C ATOM 701 O VAL A 48 14.098 -2.508 4.297 1.00 0.00 O ATOM 702 CB VAL A 48 13.385 0.240 3.312 1.00 0.00 C ATOM 703 CG1 VAL A 48 12.510 -0.138 4.498 1.00 0.00 C ATOM 704 CG2 VAL A 48 14.664 0.918 3.778 1.00 0.00 C ATOM 0 H VAL A 48 11.632 -1.214 2.297 1.00 0.00 H new ATOM 0 HA VAL A 48 14.274 -0.696 1.582 1.00 0.00 H new ATOM 0 HB VAL A 48 12.832 0.946 2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.289 0.753 5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.579 -0.576 4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.035 -0.863 5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 48 14.414 1.795 4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 48 15.246 0.221 4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 48 15.250 1.225 2.911 1.00 0.00 H new ATOM 857 N GLY A 58 12.507 -4.155 8.511 1.00 0.00 N ATOM 858 CA GLY A 58 11.377 -4.419 9.382 1.00 0.00 C ATOM 859 C GLY A 58 10.073 -3.896 8.813 1.00 0.00 C ATOM 860 O GLY A 58 9.013 -4.058 9.421 1.00 0.00 O ATOM 0 HA2 GLY A 58 11.293 -5.493 9.548 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.556 -3.960 10.354 1.00 0.00 H new ATOM 864 N CYS A 59 10.149 -3.267 7.646 1.00 0.00 N ATOM 865 CA CYS A 59 8.965 -2.716 6.996 1.00 0.00 C ATOM 866 C CYS A 59 9.159 -2.640 5.485 1.00 0.00 C ATOM 867 O CYS A 59 10.269 -2.817 4.983 1.00 0.00 O ATOM 868 CB CYS A 59 8.652 -1.326 7.553 1.00 0.00 C ATOM 869 SG CYS A 59 9.064 -1.120 9.301 1.00 0.00 S ATOM 0 H CYS A 59 11.018 -3.126 7.130 1.00 0.00 H new ATOM 0 HA CYS A 59 8.126 -3.380 7.203 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.198 -0.582 6.972 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.590 -1.122 7.415 1.00 0.00 H new ATOM 0 HG CYS A 59 8.833 -2.231 9.935 1.00 0.00 H new ATOM 875 N ALA A 60 8.073 -2.378 4.766 1.00 0.00 N ATOM 876 CA ALA A 60 8.124 -2.279 3.313 1.00 0.00 C ATOM 877 C ALA A 60 7.001 -1.394 2.783 1.00 0.00 C ATOM 878 O ALA A 60 5.988 -1.191 3.454 1.00 0.00 O ATOM 879 CB ALA A 60 8.048 -3.663 2.687 1.00 0.00 C ATOM 0 H ALA A 60 7.147 -2.230 5.166 1.00 0.00 H new ATOM 0 HA ALA A 60 9.073 -1.820 3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.087 -3.574 1.601 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.888 -4.265 3.032 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.114 -4.143 2.978 1.00 0.00 H new ATOM 885 N PHE A 61 7.186 -0.870 1.576 1.00 0.00 N ATOM 886 CA PHE A 61 6.189 -0.005 0.957 1.00 0.00 C ATOM 887 C PHE A 61 5.712 -0.588 -0.370 1.00 0.00 C ATOM 888 O PHE A 61 6.510 -1.085 -1.164 1.00 0.00 O ATOM 889 CB PHE A 61 6.764 1.395 0.735 1.00 0.00 C ATOM 890 CG PHE A 61 7.223 2.062 2.000 1.00 0.00 C ATOM 891 CD1 PHE A 61 8.484 1.807 2.515 1.00 0.00 C ATOM 892 CD2 PHE A 61 6.395 2.945 2.673 1.00 0.00 C ATOM 893 CE1 PHE A 61 8.908 2.419 3.680 1.00 0.00 C ATOM 894 CE2 PHE A 61 6.814 3.561 3.838 1.00 0.00 C ATOM 895 CZ PHE A 61 8.073 3.298 4.341 1.00 0.00 C ATOM 0 H PHE A 61 8.017 -1.029 1.007 1.00 0.00 H new ATOM 0 HA PHE A 61 5.335 0.064 1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.604 1.329 0.043 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.007 2.019 0.259 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.143 1.123 2.001 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.410 3.155 2.283 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.892 2.210 4.073 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.158 4.247 4.354 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.404 3.779 5.250 1.00 0.00 H new ATOM 905 N ALA A 62 4.405 -0.523 -0.603 1.00 0.00 N ATOM 906 CA ALA A 62 3.822 -1.042 -1.833 1.00 0.00 C ATOM 907 C ALA A 62 2.734 -0.113 -2.360 1.00 0.00 C ATOM 908 O ALA A 62 2.335 0.835 -1.684 1.00 0.00 O ATOM 909 CB ALA A 62 3.261 -2.438 -1.604 1.00 0.00 C ATOM 0 H ALA A 62 3.730 -0.116 0.045 1.00 0.00 H new ATOM 0 HA ALA A 62 4.611 -1.098 -2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.829 -2.813 -2.532 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.062 -3.104 -1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.490 -2.399 -0.834 1.00 0.00 H new ATOM 915 N GLN A 63 2.260 -0.390 -3.571 1.00 0.00 N ATOM 916 CA GLN A 63 1.219 0.423 -4.188 1.00 0.00 C ATOM 917 C GLN A 63 0.200 -0.452 -4.909 1.00 0.00 C ATOM 918 O GLN A 63 0.536 -1.518 -5.426 1.00 0.00 O ATOM 919 CB GLN A 63 1.837 1.421 -5.170 1.00 0.00 C ATOM 920 CG GLN A 63 0.889 2.535 -5.582 1.00 0.00 C ATOM 921 CD GLN A 63 1.165 3.048 -6.981 1.00 0.00 C ATOM 922 OE1 GLN A 63 0.372 2.836 -7.900 1.00 0.00 O ATOM 923 NE2 GLN A 63 2.293 3.728 -7.152 1.00 0.00 N ATOM 0 H GLN A 63 2.580 -1.171 -4.144 1.00 0.00 H new ATOM 0 HA GLN A 63 0.705 0.971 -3.398 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.726 1.860 -4.717 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.165 0.886 -6.061 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.137 2.172 -5.528 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.973 3.359 -4.874 1.00 0.00 H new ATOM 0 HE21 GLN A 63 2.921 3.880 -6.363 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.531 4.098 -8.072 1.00 0.00 H new ATOM 932 N PHE A 64 -1.048 0.003 -4.938 1.00 0.00 N ATOM 933 CA PHE A 64 -2.118 -0.739 -5.595 1.00 0.00 C ATOM 934 C PHE A 64 -2.565 -0.034 -6.872 1.00 0.00 C ATOM 935 O PHE A 64 -2.148 1.089 -7.152 1.00 0.00 O ATOM 936 CB PHE A 64 -3.308 -0.906 -4.647 1.00 0.00 C ATOM 937 CG PHE A 64 -3.221 -2.134 -3.787 1.00 0.00 C ATOM 938 CD1 PHE A 64 -2.586 -2.091 -2.556 1.00 0.00 C ATOM 939 CD2 PHE A 64 -3.775 -3.332 -4.208 1.00 0.00 C ATOM 940 CE1 PHE A 64 -2.504 -3.220 -1.763 1.00 0.00 C ATOM 941 CE2 PHE A 64 -3.697 -4.464 -3.419 1.00 0.00 C ATOM 942 CZ PHE A 64 -3.061 -4.407 -2.194 1.00 0.00 C ATOM 0 H PHE A 64 -1.344 0.882 -4.514 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.733 -1.724 -5.861 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.378 -0.027 -4.006 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.226 -0.947 -5.233 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.150 -1.165 -2.212 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.274 -3.382 -5.165 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.004 -3.173 -0.807 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.133 -5.392 -3.760 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.000 -5.290 -1.575 1.00 0.00 H new ATOM 952 N MET A 65 -3.416 -0.703 -7.643 1.00 0.00 N ATOM 953 CA MET A 65 -3.921 -0.141 -8.890 1.00 0.00 C ATOM 954 C MET A 65 -5.269 0.539 -8.673 1.00 0.00 C ATOM 955 O MET A 65 -5.677 1.396 -9.458 1.00 0.00 O ATOM 956 CB MET A 65 -4.054 -1.236 -9.951 1.00 0.00 C ATOM 957 CG MET A 65 -2.803 -1.421 -10.793 1.00 0.00 C ATOM 958 SD MET A 65 -2.798 -0.382 -12.268 1.00 0.00 S ATOM 959 CE MET A 65 -1.247 0.490 -12.062 1.00 0.00 C ATOM 0 H MET A 65 -3.770 -1.635 -7.426 1.00 0.00 H new ATOM 0 HA MET A 65 -3.208 0.607 -9.237 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.294 -2.179 -9.460 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.891 -0.996 -10.607 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.926 -1.191 -10.188 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.721 -2.467 -11.090 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.022 1.051 -12.969 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.325 1.177 -11.220 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.449 -0.227 -11.872 1.00 0.00 H new ATOM 969 N THR A 66 -5.957 0.153 -7.604 1.00 0.00 N ATOM 970 CA THR A 66 -7.259 0.724 -7.285 1.00 0.00 C ATOM 971 C THR A 66 -7.353 1.090 -5.808 1.00 0.00 C ATOM 972 O THR A 66 -7.065 0.269 -4.937 1.00 0.00 O ATOM 973 CB THR A 66 -8.401 -0.249 -7.634 1.00 0.00 C ATOM 974 OG1 THR A 66 -8.132 -1.540 -7.077 1.00 0.00 O ATOM 975 CG2 THR A 66 -8.570 -0.367 -9.142 1.00 0.00 C ATOM 0 H THR A 66 -5.634 -0.554 -6.943 1.00 0.00 H new ATOM 0 HA THR A 66 -7.363 1.626 -7.888 1.00 0.00 H new ATOM 0 HB THR A 66 -9.325 0.144 -7.210 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.863 -2.152 -7.302 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.382 -1.059 -9.364 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.804 0.612 -9.560 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.645 -0.739 -9.584 1.00 0.00 H new ATOM 983 N GLN A 67 -7.757 2.326 -5.533 1.00 0.00 N ATOM 984 CA GLN A 67 -7.888 2.799 -4.160 1.00 0.00 C ATOM 985 C GLN A 67 -8.499 1.722 -3.269 1.00 0.00 C ATOM 986 O GLN A 67 -7.944 1.379 -2.226 1.00 0.00 O ATOM 987 CB GLN A 67 -8.747 4.063 -4.114 1.00 0.00 C ATOM 988 CG GLN A 67 -7.950 5.347 -4.286 1.00 0.00 C ATOM 989 CD GLN A 67 -8.836 6.566 -4.446 1.00 0.00 C ATOM 990 OE1 GLN A 67 -9.295 6.875 -5.546 1.00 0.00 O ATOM 991 NE2 GLN A 67 -9.082 7.268 -3.346 1.00 0.00 N ATOM 0 H GLN A 67 -7.999 3.018 -6.242 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.891 3.032 -3.786 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.503 4.007 -4.897 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.276 4.098 -3.162 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.300 5.486 -3.422 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.304 5.255 -5.159 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.681 6.976 -2.455 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.672 8.099 -3.393 1.00 0.00 H new ATOM 1000 N GLU A 68 -9.644 1.193 -3.689 1.00 0.00 N ATOM 1001 CA GLU A 68 -10.330 0.156 -2.927 1.00 0.00 C ATOM 1002 C GLU A 68 -9.360 -0.948 -2.516 1.00 0.00 C ATOM 1003 O GLU A 68 -9.445 -1.483 -1.411 1.00 0.00 O ATOM 1004 CB GLU A 68 -11.476 -0.437 -3.749 1.00 0.00 C ATOM 1005 CG GLU A 68 -12.633 -0.942 -2.904 1.00 0.00 C ATOM 1006 CD GLU A 68 -13.282 0.158 -2.086 1.00 0.00 C ATOM 1007 OE1 GLU A 68 -14.159 0.861 -2.629 1.00 0.00 O ATOM 1008 OE2 GLU A 68 -12.912 0.315 -0.904 1.00 0.00 O ATOM 0 H GLU A 68 -10.116 1.465 -4.552 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.737 0.612 -2.025 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.846 0.320 -4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.092 -1.259 -4.352 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.381 -1.396 -3.554 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.275 -1.724 -2.235 1.00 0.00 H new ATOM 1015 N ALA A 69 -8.440 -1.285 -3.414 1.00 0.00 N ATOM 1016 CA ALA A 69 -7.454 -2.323 -3.145 1.00 0.00 C ATOM 1017 C ALA A 69 -6.723 -2.059 -1.833 1.00 0.00 C ATOM 1018 O ALA A 69 -6.848 -2.824 -0.877 1.00 0.00 O ATOM 1019 CB ALA A 69 -6.461 -2.419 -4.294 1.00 0.00 C ATOM 0 H ALA A 69 -8.357 -0.854 -4.335 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.980 -3.273 -3.053 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.730 -3.199 -4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.992 -2.663 -5.214 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.949 -1.464 -4.413 1.00 0.00 H new ATOM 1025 N ALA A 70 -5.959 -0.972 -1.795 1.00 0.00 N ATOM 1026 CA ALA A 70 -5.209 -0.607 -0.599 1.00 0.00 C ATOM 1027 C ALA A 70 -6.064 -0.762 0.654 1.00 0.00 C ATOM 1028 O ALA A 70 -5.601 -1.273 1.673 1.00 0.00 O ATOM 1029 CB ALA A 70 -4.692 0.819 -0.716 1.00 0.00 C ATOM 0 H ALA A 70 -5.843 -0.329 -2.578 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.359 -1.284 -0.512 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.134 1.079 0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.038 0.899 -1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.533 1.503 -0.831 1.00 0.00 H new ATOM 1035 N GLN A 71 -7.313 -0.315 0.571 1.00 0.00 N ATOM 1036 CA GLN A 71 -8.232 -0.403 1.700 1.00 0.00 C ATOM 1037 C GLN A 71 -8.536 -1.858 2.042 1.00 0.00 C ATOM 1038 O GLN A 71 -8.551 -2.242 3.212 1.00 0.00 O ATOM 1039 CB GLN A 71 -9.531 0.342 1.387 1.00 0.00 C ATOM 1040 CG GLN A 71 -9.313 1.768 0.907 1.00 0.00 C ATOM 1041 CD GLN A 71 -8.133 2.438 1.583 1.00 0.00 C ATOM 1042 OE1 GLN A 71 -8.289 3.121 2.596 1.00 0.00 O ATOM 1043 NE2 GLN A 71 -6.944 2.245 1.026 1.00 0.00 N ATOM 0 H GLN A 71 -7.712 0.111 -0.265 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.754 0.062 2.562 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.082 -0.209 0.625 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.155 0.359 2.281 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.155 1.764 -0.171 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.214 2.352 1.095 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.861 1.671 0.187 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.113 2.670 1.437 1.00 0.00 H new ATOM 1052 N LYS A 72 -8.780 -2.663 1.014 1.00 0.00 N ATOM 1053 CA LYS A 72 -9.084 -4.077 1.204 1.00 0.00 C ATOM 1054 C LYS A 72 -7.917 -4.799 1.870 1.00 0.00 C ATOM 1055 O LYS A 72 -8.096 -5.851 2.486 1.00 0.00 O ATOM 1056 CB LYS A 72 -9.406 -4.736 -0.139 1.00 0.00 C ATOM 1057 CG LYS A 72 -10.745 -4.314 -0.718 1.00 0.00 C ATOM 1058 CD LYS A 72 -10.959 -4.892 -2.107 1.00 0.00 C ATOM 1059 CE LYS A 72 -12.274 -4.421 -2.710 1.00 0.00 C ATOM 1060 NZ LYS A 72 -12.817 -5.402 -3.690 1.00 0.00 N ATOM 0 H LYS A 72 -8.773 -2.361 0.040 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.955 -4.152 1.856 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.618 -4.492 -0.852 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.399 -5.819 -0.014 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.548 -4.643 -0.058 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.796 -3.226 -0.764 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.134 -4.598 -2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.951 -5.981 -2.055 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.002 -4.261 -1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.124 -3.460 -3.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.713 -5.045 -4.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.134 -5.536 -4.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.984 -6.312 -3.214 1.00 0.00 H new ATOM 1074 N CYS A 73 -6.725 -4.228 1.745 1.00 0.00 N ATOM 1075 CA CYS A 73 -5.529 -4.817 2.336 1.00 0.00 C ATOM 1076 C CYS A 73 -5.448 -4.505 3.826 1.00 0.00 C ATOM 1077 O CYS A 73 -4.960 -5.315 4.616 1.00 0.00 O ATOM 1078 CB CYS A 73 -4.276 -4.301 1.626 1.00 0.00 C ATOM 1079 SG CYS A 73 -2.751 -4.513 2.573 1.00 0.00 S ATOM 0 H CYS A 73 -6.561 -3.357 1.240 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.588 -5.898 2.213 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.173 -4.818 0.672 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.408 -3.242 1.403 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.020 -5.097 3.703 1.00 0.00 H new ATOM 1085 N LEU A 74 -5.928 -3.326 4.205 1.00 0.00 N ATOM 1086 CA LEU A 74 -5.909 -2.905 5.602 1.00 0.00 C ATOM 1087 C LEU A 74 -6.874 -3.742 6.436 1.00 0.00 C ATOM 1088 O LEU A 74 -6.457 -4.496 7.314 1.00 0.00 O ATOM 1089 CB LEU A 74 -6.273 -1.423 5.713 1.00 0.00 C ATOM 1090 CG LEU A 74 -5.460 -0.465 4.842 1.00 0.00 C ATOM 1091 CD1 LEU A 74 -6.082 0.923 4.852 1.00 0.00 C ATOM 1092 CD2 LEU A 74 -4.016 -0.407 5.317 1.00 0.00 C ATOM 0 H LEU A 74 -6.335 -2.644 3.565 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.901 -3.055 5.988 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.327 -1.308 5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.162 -1.119 6.754 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.470 -0.838 3.818 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.490 1.591 4.227 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.099 0.869 4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.103 1.305 5.873 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.452 0.280 4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.986 -0.058 6.349 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.573 -1.401 5.257 1.00 0.00 H new ATOM 1104 N ALA A 75 -8.165 -3.604 6.153 1.00 0.00 N ATOM 1105 CA ALA A 75 -9.188 -4.350 6.874 1.00 0.00 C ATOM 1106 C ALA A 75 -8.734 -5.780 7.149 1.00 0.00 C ATOM 1107 O ALA A 75 -9.108 -6.377 8.158 1.00 0.00 O ATOM 1108 CB ALA A 75 -10.492 -4.350 6.090 1.00 0.00 C ATOM 0 H ALA A 75 -8.527 -2.983 5.430 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.353 -3.858 7.833 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.247 -4.911 6.640 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.832 -3.324 5.950 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.332 -4.815 5.117 1.00 0.00 H new ATOM 1114 N ALA A 76 -7.927 -6.324 6.244 1.00 0.00 N ATOM 1115 CA ALA A 76 -7.421 -7.683 6.389 1.00 0.00 C ATOM 1116 C ALA A 76 -6.159 -7.710 7.245 1.00 0.00 C ATOM 1117 O ALA A 76 -5.930 -8.654 8.000 1.00 0.00 O ATOM 1118 CB ALA A 76 -7.149 -8.294 5.023 1.00 0.00 C ATOM 0 H ALA A 76 -7.610 -5.844 5.402 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.183 -8.276 6.894 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.772 -9.309 5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.073 -8.318 4.445 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.407 -7.693 4.497 1.00 0.00 H new ATOM 1124 N ALA A 77 -5.343 -6.669 7.120 1.00 0.00 N ATOM 1125 CA ALA A 77 -4.105 -6.573 7.883 1.00 0.00 C ATOM 1126 C ALA A 77 -4.388 -6.358 9.365 1.00 0.00 C ATOM 1127 O ALA A 77 -3.527 -6.594 10.213 1.00 0.00 O ATOM 1128 CB ALA A 77 -3.236 -5.448 7.340 1.00 0.00 C ATOM 0 H ALA A 77 -5.517 -5.880 6.497 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.568 -7.516 7.776 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.315 -5.388 7.919 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.996 -5.646 6.295 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.775 -4.503 7.416 1.00 0.00 H new ATOM 1134 N SER A 78 -5.600 -5.906 9.672 1.00 0.00 N ATOM 1135 CA SER A 78 -5.996 -5.654 11.052 1.00 0.00 C ATOM 1136 C SER A 78 -6.936 -6.745 11.556 1.00 0.00 C ATOM 1137 O SER A 78 -8.123 -6.760 11.225 1.00 0.00 O ATOM 1138 CB SER A 78 -6.673 -4.287 11.170 1.00 0.00 C ATOM 1139 OG SER A 78 -6.521 -3.753 12.474 1.00 0.00 O ATOM 0 H SER A 78 -6.325 -5.707 8.983 1.00 0.00 H new ATOM 0 HA SER A 78 -5.097 -5.660 11.668 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.243 -3.601 10.440 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.733 -4.381 10.933 1.00 0.00 H new ATOM 0 HG SER A 78 -6.961 -2.879 12.523 1.00 0.00 H new ATOM 1225 N LEU A 86 -3.244 -10.563 8.809 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.249 -11.185 7.941 1.00 0.00 C ATOM 1227 C LEU A 86 -0.967 -11.486 8.711 1.00 0.00 C ATOM 1228 O LEU A 86 -0.577 -10.736 9.606 1.00 0.00 O ATOM 1229 CB LEU A 86 -1.942 -10.274 6.751 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.810 -10.477 5.509 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -4.228 -9.990 5.764 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -2.204 -9.758 4.312 1.00 0.00 C ATOM 0 HA LEU A 86 -2.659 -12.126 7.574 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.044 -9.239 7.076 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.899 -10.418 6.468 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.849 -11.543 5.286 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.831 -10.142 4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.661 -10.549 6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.209 -8.929 6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.835 -9.913 3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.135 -8.691 4.525 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.208 -10.154 4.116 1.00 0.00 H new ATOM 1244 N LYS A 87 -0.315 -12.587 8.355 1.00 0.00 N ATOM 1245 CA LYS A 87 0.926 -12.987 9.009 1.00 0.00 C ATOM 1246 C LYS A 87 1.900 -13.593 8.003 1.00 0.00 C ATOM 1247 O LYS A 87 1.508 -14.380 7.140 1.00 0.00 O ATOM 1248 CB LYS A 87 0.637 -13.993 10.125 1.00 0.00 C ATOM 1249 CG LYS A 87 -0.101 -13.392 11.309 1.00 0.00 C ATOM 1250 CD LYS A 87 0.256 -14.099 12.606 1.00 0.00 C ATOM 1251 CE LYS A 87 -0.898 -14.065 13.595 1.00 0.00 C ATOM 1252 NZ LYS A 87 -0.422 -14.121 15.005 1.00 0.00 N ATOM 0 H LYS A 87 -0.625 -13.219 7.617 1.00 0.00 H new ATOM 0 HA LYS A 87 1.384 -12.097 9.440 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.047 -14.814 9.719 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.579 -14.418 10.472 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.143 -12.333 11.392 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.176 -13.459 11.141 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.526 -15.134 12.395 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.132 -13.626 13.050 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.479 -13.155 13.444 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.565 -14.905 13.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.239 -14.096 15.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.111 -15.001 15.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.195 -13.305 15.196 1.00 0.00 H new ATOM 1266 N LEU A 88 3.170 -13.224 8.121 1.00 0.00 N ATOM 1267 CA LEU A 88 4.201 -13.733 7.223 1.00 0.00 C ATOM 1268 C LEU A 88 5.289 -14.465 8.002 1.00 0.00 C ATOM 1269 O LEU A 88 6.168 -13.840 8.596 1.00 0.00 O ATOM 1270 CB LEU A 88 4.817 -12.586 6.420 1.00 0.00 C ATOM 1271 CG LEU A 88 5.392 -12.957 5.052 1.00 0.00 C ATOM 1272 CD1 LEU A 88 4.274 -13.158 4.040 1.00 0.00 C ATOM 1273 CD2 LEU A 88 6.361 -11.886 4.572 1.00 0.00 C ATOM 0 H LEU A 88 3.511 -12.574 8.829 1.00 0.00 H new ATOM 0 HA LEU A 88 3.734 -14.439 6.537 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.055 -11.820 6.276 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.612 -12.137 7.016 1.00 0.00 H new ATOM 0 HG LEU A 88 5.938 -13.895 5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.702 -13.421 3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.618 -13.960 4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.700 -12.236 3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.760 -12.167 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.838 -10.933 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.180 -11.790 5.285 1.00 0.00 H new ATOM 1285 N ASP A 89 5.225 -15.792 7.993 1.00 0.00 N ATOM 1286 CA ASP A 89 6.206 -16.610 8.696 1.00 0.00 C ATOM 1287 C ASP A 89 6.043 -16.476 10.207 1.00 0.00 C ATOM 1288 O ASP A 89 6.999 -16.648 10.962 1.00 0.00 O ATOM 1289 CB ASP A 89 7.624 -16.208 8.286 1.00 0.00 C ATOM 1290 CG ASP A 89 7.788 -16.116 6.781 1.00 0.00 C ATOM 1291 OD1 ASP A 89 7.852 -17.177 6.126 1.00 0.00 O ATOM 1292 OD2 ASP A 89 7.852 -14.984 6.259 1.00 0.00 O ATOM 0 H ASP A 89 4.504 -16.324 7.506 1.00 0.00 H new ATOM 0 HA ASP A 89 6.038 -17.651 8.422 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.870 -15.246 8.735 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.333 -16.935 8.682 1.00 0.00 H new ATOM 1297 N GLY A 90 4.825 -16.166 10.640 1.00 0.00 N ATOM 1298 CA GLY A 90 4.559 -16.013 12.059 1.00 0.00 C ATOM 1299 C GLY A 90 4.799 -14.597 12.544 1.00 0.00 C ATOM 1300 O GLY A 90 5.337 -14.389 13.632 1.00 0.00 O ATOM 0 H GLY A 90 4.018 -16.018 10.034 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.526 -16.294 12.264 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.194 -16.699 12.621 1.00 0.00 H new ATOM 1304 N ARG A 91 4.402 -13.620 11.735 1.00 0.00 N ATOM 1305 CA ARG A 91 4.580 -12.217 12.086 1.00 0.00 C ATOM 1306 C ARG A 91 3.455 -11.364 11.507 1.00 0.00 C ATOM 1307 O ARG A 91 3.249 -11.334 10.294 1.00 0.00 O ATOM 1308 CB ARG A 91 5.931 -11.709 11.580 1.00 0.00 C ATOM 1309 CG ARG A 91 7.118 -12.473 12.144 1.00 0.00 C ATOM 1310 CD ARG A 91 8.347 -11.584 12.264 1.00 0.00 C ATOM 1311 NE ARG A 91 9.414 -12.225 13.026 1.00 0.00 N ATOM 1312 CZ ARG A 91 10.492 -11.584 13.463 1.00 0.00 C ATOM 1313 NH1 ARG A 91 10.645 -10.291 13.215 1.00 0.00 N ATOM 1314 NH2 ARG A 91 11.421 -12.237 14.151 1.00 0.00 N ATOM 0 H ARG A 91 3.955 -13.775 10.832 1.00 0.00 H new ATOM 0 HA ARG A 91 4.553 -12.135 13.173 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.950 -11.775 10.492 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.033 -10.655 11.837 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.861 -12.875 13.124 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.344 -13.323 11.500 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.713 -11.335 11.268 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.070 -10.646 12.746 1.00 0.00 H new ATOM 0 HE ARG A 91 9.327 -13.220 13.234 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.934 -9.785 12.687 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.474 -9.802 13.552 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.307 -13.232 14.344 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.248 -11.744 14.486 1.00 0.00 H new ATOM 1328 N GLN A 92 2.730 -10.674 12.382 1.00 0.00 N ATOM 1329 CA GLN A 92 1.626 -9.823 11.956 1.00 0.00 C ATOM 1330 C GLN A 92 2.115 -8.727 11.015 1.00 0.00 C ATOM 1331 O GLN A 92 3.101 -8.045 11.297 1.00 0.00 O ATOM 1332 CB GLN A 92 0.938 -9.198 13.171 1.00 0.00 C ATOM 1333 CG GLN A 92 -0.221 -10.024 13.706 1.00 0.00 C ATOM 1334 CD GLN A 92 -1.546 -9.646 13.074 1.00 0.00 C ATOM 1335 OE1 GLN A 92 -1.945 -8.481 13.089 1.00 0.00 O ATOM 1336 NE2 GLN A 92 -2.238 -10.632 12.515 1.00 0.00 N ATOM 0 H GLN A 92 2.888 -10.688 13.390 1.00 0.00 H new ATOM 0 HA GLN A 92 0.908 -10.444 11.420 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.673 -9.062 13.964 1.00 0.00 H new ATOM 0 HB3 GLN A 92 0.573 -8.207 12.901 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.024 -11.080 13.524 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.287 -9.894 14.786 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.870 -11.583 12.525 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.138 -10.438 12.075 1.00 0.00 H new ATOM 1345 N LEU A 93 1.420 -8.563 9.895 1.00 0.00 N ATOM 1346 CA LEU A 93 1.784 -7.549 8.910 1.00 0.00 C ATOM 1347 C LEU A 93 0.904 -6.312 9.052 1.00 0.00 C ATOM 1348 O LEU A 93 -0.253 -6.307 8.630 1.00 0.00 O ATOM 1349 CB LEU A 93 1.660 -8.117 7.495 1.00 0.00 C ATOM 1350 CG LEU A 93 2.195 -9.535 7.292 1.00 0.00 C ATOM 1351 CD1 LEU A 93 2.033 -9.964 5.842 1.00 0.00 C ATOM 1352 CD2 LEU A 93 3.655 -9.620 7.715 1.00 0.00 C ATOM 0 H LEU A 93 0.602 -9.118 9.646 1.00 0.00 H new ATOM 0 HA LEU A 93 2.819 -7.259 9.089 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.608 -8.103 7.210 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.185 -7.451 6.810 1.00 0.00 H new ATOM 0 HG LEU A 93 1.616 -10.214 7.918 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.419 -10.976 5.717 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.977 -9.943 5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.586 -9.282 5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.019 -10.636 7.564 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.248 -8.929 7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.745 -9.356 8.769 1.00 0.00 H new ATOM 1364 N LYS A 94 1.459 -5.262 9.648 1.00 0.00 N ATOM 1365 CA LYS A 94 0.728 -4.016 9.843 1.00 0.00 C ATOM 1366 C LYS A 94 0.750 -3.168 8.576 1.00 0.00 C ATOM 1367 O LYS A 94 1.756 -2.531 8.262 1.00 0.00 O ATOM 1368 CB LYS A 94 1.326 -3.227 11.010 1.00 0.00 C ATOM 1369 CG LYS A 94 0.771 -3.628 12.365 1.00 0.00 C ATOM 1370 CD LYS A 94 0.976 -2.534 13.399 1.00 0.00 C ATOM 1371 CE LYS A 94 0.022 -2.690 14.573 1.00 0.00 C ATOM 1372 NZ LYS A 94 -1.385 -2.389 14.189 1.00 0.00 N ATOM 0 H LYS A 94 2.414 -5.250 10.005 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.308 -4.264 10.074 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.407 -3.365 11.015 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.141 -2.165 10.851 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.293 -3.848 12.273 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.257 -4.544 12.702 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.005 -2.560 13.759 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.826 -1.560 12.934 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.083 -3.708 14.958 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.328 -2.025 15.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.943 -2.190 15.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.404 -1.559 13.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.792 -3.207 13.693 1.00 0.00 H new ATOM 1386 N VAL A 95 -0.365 -3.162 7.853 1.00 0.00 N ATOM 1387 CA VAL A 95 -0.474 -2.389 6.621 1.00 0.00 C ATOM 1388 C VAL A 95 -1.228 -1.085 6.855 1.00 0.00 C ATOM 1389 O VAL A 95 -2.323 -1.082 7.418 1.00 0.00 O ATOM 1390 CB VAL A 95 -1.187 -3.191 5.517 1.00 0.00 C ATOM 1391 CG1 VAL A 95 -1.125 -2.447 4.192 1.00 0.00 C ATOM 1392 CG2 VAL A 95 -0.578 -4.579 5.387 1.00 0.00 C ATOM 0 H VAL A 95 -1.206 -3.684 8.099 1.00 0.00 H new ATOM 0 HA VAL A 95 0.542 -2.164 6.297 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.235 -3.304 5.795 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.634 -3.029 3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.613 -1.478 4.296 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.084 -2.300 3.906 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.095 -5.131 4.602 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.478 -4.491 5.133 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.681 -5.111 6.333 1.00 0.00 H new ATOM 1402 N ASP A 96 -0.635 0.021 6.420 1.00 0.00 N ATOM 1403 CA ASP A 96 -1.251 1.333 6.581 1.00 0.00 C ATOM 1404 C ASP A 96 -1.021 2.196 5.344 1.00 0.00 C ATOM 1405 O ASP A 96 0.042 2.142 4.725 1.00 0.00 O ATOM 1406 CB ASP A 96 -0.691 2.035 7.819 1.00 0.00 C ATOM 1407 CG ASP A 96 -1.125 3.485 7.908 1.00 0.00 C ATOM 1408 OD1 ASP A 96 -2.193 3.750 8.499 1.00 0.00 O ATOM 1409 OD2 ASP A 96 -0.395 4.354 7.387 1.00 0.00 O ATOM 0 H ASP A 96 0.272 0.035 5.953 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.324 1.190 6.709 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -1.019 1.505 8.713 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.398 1.985 7.800 1.00 0.00 H new ATOM 1414 N LEU A 97 -2.025 2.991 4.989 1.00 0.00 N ATOM 1415 CA LEU A 97 -1.934 3.865 3.825 1.00 0.00 C ATOM 1416 C LEU A 97 -0.807 4.880 3.994 1.00 0.00 C ATOM 1417 O LEU A 97 -0.970 5.896 4.668 1.00 0.00 O ATOM 1418 CB LEU A 97 -3.261 4.592 3.603 1.00 0.00 C ATOM 1419 CG LEU A 97 -3.418 5.309 2.261 1.00 0.00 C ATOM 1420 CD1 LEU A 97 -2.088 5.894 1.811 1.00 0.00 C ATOM 1421 CD2 LEU A 97 -3.968 4.358 1.209 1.00 0.00 C ATOM 0 H LEU A 97 -2.911 3.048 5.491 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.715 3.248 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.070 3.868 3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.389 5.324 4.400 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.127 6.127 2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.218 6.400 0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.734 6.608 2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.357 5.093 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.073 4.886 0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.284 3.519 1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.942 3.987 1.528 1.00 0.00 H new ATOM 1433 N ALA A 98 0.334 4.598 3.375 1.00 0.00 N ATOM 1434 CA ALA A 98 1.486 5.488 3.453 1.00 0.00 C ATOM 1435 C ALA A 98 1.363 6.633 2.453 1.00 0.00 C ATOM 1436 O ALA A 98 0.367 6.744 1.739 1.00 0.00 O ATOM 1437 CB ALA A 98 2.771 4.711 3.212 1.00 0.00 C ATOM 0 H ALA A 98 0.486 3.760 2.814 1.00 0.00 H new ATOM 0 HA ALA A 98 1.516 5.916 4.455 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.623 5.388 3.273 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.872 3.932 3.967 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.740 4.255 2.222 1.00 0.00 H new ATOM 1443 N VAL A 99 2.383 7.485 2.408 1.00 0.00 N ATOM 1444 CA VAL A 99 2.390 8.622 1.495 1.00 0.00 C ATOM 1445 C VAL A 99 3.757 8.795 0.843 1.00 0.00 C ATOM 1446 O VAL A 99 4.747 9.080 1.517 1.00 0.00 O ATOM 1447 CB VAL A 99 2.010 9.926 2.221 1.00 0.00 C ATOM 1448 CG1 VAL A 99 2.071 11.107 1.264 1.00 0.00 C ATOM 1449 CG2 VAL A 99 0.628 9.806 2.846 1.00 0.00 C ATOM 0 H VAL A 99 3.215 7.409 2.993 1.00 0.00 H new ATOM 0 HA VAL A 99 1.648 8.414 0.724 1.00 0.00 H new ATOM 0 HB VAL A 99 2.730 10.099 3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.799 12.020 1.795 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.083 11.204 0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.375 10.945 0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.377 10.737 3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.108 9.608 2.067 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.624 8.987 3.565 1.00 0.00 H new