USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 733 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 85 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 107 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 63 HIS : no HE2:sc= -0.878 K(o=-0.88,f=-1.5) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0799 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.239 USER MOD Single : A 37 SER OG : rot -140:sc= -1.08 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 CYS SG : rot 99:sc= 0.0469 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 50 TYR OH : rot 50:sc= -2.95! USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0913 K(o=-0.091,f=-0.79) USER MOD Single : A 58 ASN : amide:sc= -3.49! C(o=-3.5!,f=-2.5!) USER MOD Single : A 66 ASN : amide:sc= 0.261 K(o=0.26,f=-7!) USER MOD Single : A 69 ASN : amide:sc= -0.227 K(o=-0.23,f=-3.3!) USER MOD Single : A 72 GLN : amide:sc= -0.0273 X(o=-0.027,f=-0.39) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 36:sc= 0.0616 USER MOD Single : A 83 ASN : amide:sc= -1.58! K(o=-1.6!,f=-0.11) USER MOD Single : A 84 HIS : no HE2:sc= 0.705 K(o=0.71,f=-7.8!) USER MOD Single : A 86 TYR OH : rot 30:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0.6 K(o=0.6,f=-0.11) USER MOD Single : A 94 SER OG : rot -50:sc= -0.991 USER MOD Single : A 95 GLN : amide:sc= -0.025 K(o=-0.025,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 184 N GLY A 16 9.106 16.985 -0.847 1.00 0.00 N ATOM 185 CA GLY A 16 7.929 16.938 -1.694 1.00 0.00 C ATOM 186 C GLY A 16 7.457 15.520 -1.952 1.00 0.00 C ATOM 187 O GLY A 16 6.907 15.225 -3.013 1.00 0.00 O ATOM 0 HA2 GLY A 16 7.125 17.506 -1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.150 17.423 -2.645 1.00 0.00 H new ATOM 191 N VAL A 17 7.674 14.640 -0.981 1.00 0.00 N ATOM 192 CA VAL A 17 7.268 13.245 -1.108 1.00 0.00 C ATOM 193 C VAL A 17 5.998 12.968 -0.312 1.00 0.00 C ATOM 194 O VAL A 17 5.706 13.625 0.687 1.00 0.00 O ATOM 195 CB VAL A 17 8.379 12.291 -0.631 1.00 0.00 C ATOM 196 CG1 VAL A 17 9.521 12.257 -1.635 1.00 0.00 C ATOM 197 CG2 VAL A 17 8.879 12.702 0.745 1.00 0.00 C ATOM 0 H VAL A 17 8.129 14.868 -0.097 1.00 0.00 H new ATOM 0 HA VAL A 17 7.076 13.066 -2.166 1.00 0.00 H new ATOM 0 HB VAL A 17 7.964 11.286 -0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.297 11.578 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.148 11.911 -2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.938 13.258 -1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.664 12.017 1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.278 13.715 0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.054 12.669 1.457 1.00 0.00 H new ATOM 207 N PRO A 18 5.223 11.969 -0.762 1.00 0.00 N ATOM 208 CA PRO A 18 3.972 11.581 -0.105 1.00 0.00 C ATOM 209 C PRO A 18 4.209 10.918 1.248 1.00 0.00 C ATOM 210 O PRO A 18 4.735 9.807 1.322 1.00 0.00 O ATOM 211 CB PRO A 18 3.350 10.584 -1.087 1.00 0.00 C ATOM 212 CG PRO A 18 4.506 10.028 -1.845 1.00 0.00 C ATOM 213 CD PRO A 18 5.510 11.143 -1.947 1.00 0.00 C ATOM 0 HA PRO A 18 3.339 12.443 0.108 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.806 9.799 -0.562 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.639 11.074 -1.752 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.931 9.166 -1.331 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.197 9.689 -2.834 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.532 10.765 -1.936 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.389 11.709 -2.871 1.00 0.00 H new ATOM 221 N ASP A 19 3.816 11.605 2.314 1.00 0.00 N ATOM 222 CA ASP A 19 3.985 11.082 3.665 1.00 0.00 C ATOM 223 C ASP A 19 3.305 9.724 3.811 1.00 0.00 C ATOM 224 O ASP A 19 2.383 9.396 3.064 1.00 0.00 O ATOM 225 CB ASP A 19 3.415 12.064 4.690 1.00 0.00 C ATOM 226 CG ASP A 19 4.140 11.999 6.020 1.00 0.00 C ATOM 227 OD1 ASP A 19 5.310 12.432 6.080 1.00 0.00 O ATOM 228 OD2 ASP A 19 3.537 11.516 7.001 1.00 0.00 O ATOM 0 H ASP A 19 3.378 12.525 2.269 1.00 0.00 H new ATOM 0 HA ASP A 19 5.052 10.956 3.848 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.480 13.077 4.293 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.358 11.850 4.845 1.00 0.00 H new ATOM 233 N THR A 20 3.767 8.938 4.778 1.00 0.00 N ATOM 234 CA THR A 20 3.206 7.615 5.020 1.00 0.00 C ATOM 235 C THR A 20 1.694 7.614 4.822 1.00 0.00 C ATOM 236 O THR A 20 0.967 8.412 5.413 1.00 0.00 O ATOM 237 CB THR A 20 3.526 7.120 6.443 1.00 0.00 C ATOM 238 OG1 THR A 20 4.862 7.492 6.802 1.00 0.00 O ATOM 239 CG2 THR A 20 3.372 5.610 6.539 1.00 0.00 C ATOM 0 H THR A 20 4.528 9.195 5.406 1.00 0.00 H new ATOM 0 HA THR A 20 3.665 6.941 4.297 1.00 0.00 H new ATOM 0 HB THR A 20 2.821 7.585 7.132 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.057 7.175 7.709 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.603 5.284 7.553 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.347 5.332 6.294 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.055 5.129 5.839 1.00 0.00 H new ATOM 247 N PRO A 21 1.208 6.697 3.973 1.00 0.00 N ATOM 248 CA PRO A 21 -0.222 6.570 3.679 1.00 0.00 C ATOM 249 C PRO A 21 -1.012 6.030 4.866 1.00 0.00 C ATOM 250 O PRO A 21 -0.591 5.079 5.525 1.00 0.00 O ATOM 251 CB PRO A 21 -0.258 5.574 2.516 1.00 0.00 C ATOM 252 CG PRO A 21 0.991 4.775 2.663 1.00 0.00 C ATOM 253 CD PRO A 21 2.018 5.714 3.234 1.00 0.00 C ATOM 0 HA PRO A 21 -0.678 7.533 3.448 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.142 4.939 2.566 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.288 6.088 1.555 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.833 3.922 3.322 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.316 4.379 1.701 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.717 5.195 3.890 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.609 6.188 2.450 1.00 0.00 H new ATOM 261 N THR A 22 -2.161 6.644 5.135 1.00 0.00 N ATOM 262 CA THR A 22 -3.009 6.226 6.244 1.00 0.00 C ATOM 263 C THR A 22 -3.226 4.717 6.232 1.00 0.00 C ATOM 264 O THR A 22 -2.758 4.021 5.331 1.00 0.00 O ATOM 265 CB THR A 22 -4.378 6.930 6.200 1.00 0.00 C ATOM 266 OG1 THR A 22 -4.246 8.222 5.597 1.00 0.00 O ATOM 267 CG2 THR A 22 -4.958 7.075 7.599 1.00 0.00 C ATOM 0 H THR A 22 -2.525 7.432 4.600 1.00 0.00 H new ATOM 0 HA THR A 22 -2.492 6.509 7.161 1.00 0.00 H new ATOM 0 HB THR A 22 -5.056 6.319 5.604 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.121 8.662 5.571 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.925 7.575 7.542 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.085 6.088 8.044 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.280 7.666 8.215 1.00 0.00 H new ATOM 275 N ARG A 23 -3.939 4.218 7.237 1.00 0.00 N ATOM 276 CA ARG A 23 -4.217 2.791 7.341 1.00 0.00 C ATOM 277 C ARG A 23 -4.895 2.275 6.075 1.00 0.00 C ATOM 278 O ARG A 23 -5.434 3.052 5.286 1.00 0.00 O ATOM 279 CB ARG A 23 -5.102 2.510 8.557 1.00 0.00 C ATOM 280 CG ARG A 23 -6.491 3.117 8.453 1.00 0.00 C ATOM 281 CD ARG A 23 -7.282 2.923 9.737 1.00 0.00 C ATOM 282 NE ARG A 23 -7.019 3.982 10.707 1.00 0.00 N ATOM 283 CZ ARG A 23 -7.856 4.306 11.686 1.00 0.00 C ATOM 284 NH1 ARG A 23 -9.003 3.655 11.825 1.00 0.00 N ATOM 285 NH2 ARG A 23 -7.547 5.282 12.530 1.00 0.00 N ATOM 0 H ARG A 23 -4.334 4.781 7.990 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.268 2.269 7.462 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.195 1.432 8.687 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.611 2.897 9.450 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.408 4.181 8.233 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.027 2.660 7.621 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.347 2.899 9.506 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.029 1.958 10.176 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.145 4.501 10.629 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.244 2.903 11.179 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.644 3.906 12.578 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.665 5.785 12.428 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -8.191 5.530 13.281 1.00 0.00 H new ATOM 299 N LEU A 24 -4.864 0.960 5.888 1.00 0.00 N ATOM 300 CA LEU A 24 -5.475 0.340 4.717 1.00 0.00 C ATOM 301 C LEU A 24 -6.827 -0.271 5.069 1.00 0.00 C ATOM 302 O LEU A 24 -7.163 -0.429 6.243 1.00 0.00 O ATOM 303 CB LEU A 24 -4.550 -0.736 4.145 1.00 0.00 C ATOM 304 CG LEU A 24 -3.051 -0.510 4.347 1.00 0.00 C ATOM 305 CD1 LEU A 24 -2.254 -1.671 3.774 1.00 0.00 C ATOM 306 CD2 LEU A 24 -2.619 0.802 3.710 1.00 0.00 C ATOM 0 H LEU A 24 -4.423 0.303 6.531 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.631 1.114 3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.817 -1.692 4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.743 -0.822 3.076 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.853 -0.454 5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.190 -1.492 3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.543 -2.594 4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.457 -1.760 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.550 0.946 3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.832 0.775 2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.166 1.626 4.168 1.00 0.00 H new ATOM 318 N VAL A 25 -7.600 -0.615 4.043 1.00 0.00 N ATOM 319 CA VAL A 25 -8.915 -1.212 4.244 1.00 0.00 C ATOM 320 C VAL A 25 -9.081 -2.472 3.401 1.00 0.00 C ATOM 321 O VAL A 25 -9.026 -2.422 2.172 1.00 0.00 O ATOM 322 CB VAL A 25 -10.041 -0.221 3.892 1.00 0.00 C ATOM 323 CG1 VAL A 25 -11.347 -0.961 3.648 1.00 0.00 C ATOM 324 CG2 VAL A 25 -10.203 0.814 4.995 1.00 0.00 C ATOM 0 H VAL A 25 -7.338 -0.490 3.065 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.986 -1.472 5.300 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.770 0.299 2.974 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.130 -0.245 3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.220 -1.660 2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.628 -1.510 4.547 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.002 1.506 4.730 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.452 0.313 5.930 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.271 1.366 5.116 1.00 0.00 H new ATOM 334 N PHE A 26 -9.284 -3.602 4.071 1.00 0.00 N ATOM 335 CA PHE A 26 -9.458 -4.876 3.384 1.00 0.00 C ATOM 336 C PHE A 26 -10.934 -5.256 3.306 1.00 0.00 C ATOM 337 O PHE A 26 -11.667 -5.148 4.289 1.00 0.00 O ATOM 338 CB PHE A 26 -8.674 -5.977 4.102 1.00 0.00 C ATOM 339 CG PHE A 26 -7.234 -5.626 4.347 1.00 0.00 C ATOM 340 CD1 PHE A 26 -6.857 -4.958 5.501 1.00 0.00 C ATOM 341 CD2 PHE A 26 -6.258 -5.963 3.423 1.00 0.00 C ATOM 342 CE1 PHE A 26 -5.533 -4.633 5.729 1.00 0.00 C ATOM 343 CE2 PHE A 26 -4.933 -5.641 3.646 1.00 0.00 C ATOM 344 CZ PHE A 26 -4.570 -4.975 4.800 1.00 0.00 C ATOM 0 H PHE A 26 -9.332 -3.661 5.088 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.075 -4.768 2.369 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.155 -6.191 5.057 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.721 -6.891 3.510 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.606 -4.688 6.231 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.536 -6.483 2.518 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.252 -4.112 6.632 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.182 -5.910 2.918 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.535 -4.722 4.976 1.00 0.00 H new ATOM 354 N SER A 27 -11.363 -5.700 2.129 1.00 0.00 N ATOM 355 CA SER A 27 -12.752 -6.092 1.920 1.00 0.00 C ATOM 356 C SER A 27 -12.913 -7.605 2.031 1.00 0.00 C ATOM 357 O SER A 27 -13.889 -8.096 2.596 1.00 0.00 O ATOM 358 CB SER A 27 -13.237 -5.615 0.550 1.00 0.00 C ATOM 359 OG SER A 27 -14.647 -5.719 0.443 1.00 0.00 O ATOM 0 H SER A 27 -10.769 -5.797 1.306 1.00 0.00 H new ATOM 0 HA SER A 27 -13.357 -5.623 2.696 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.933 -4.580 0.393 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.765 -6.208 -0.233 1.00 0.00 H new ATOM 0 HG SER A 27 -14.932 -5.407 -0.441 1.00 0.00 H new ATOM 365 N ALA A 28 -11.946 -8.338 1.488 1.00 0.00 N ATOM 366 CA ALA A 28 -11.978 -9.794 1.527 1.00 0.00 C ATOM 367 C ALA A 28 -13.180 -10.338 0.762 1.00 0.00 C ATOM 368 O ALA A 28 -13.982 -11.099 1.305 1.00 0.00 O ATOM 369 CB ALA A 28 -12.002 -10.283 2.968 1.00 0.00 C ATOM 0 H ALA A 28 -11.131 -7.947 1.016 1.00 0.00 H new ATOM 0 HA ALA A 28 -11.074 -10.165 1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -12.026 -11.373 2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -11.109 -9.933 3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.888 -9.894 3.469 1.00 0.00 H new ATOM 375 N LEU A 29 -13.299 -9.942 -0.501 1.00 0.00 N ATOM 376 CA LEU A 29 -14.405 -10.390 -1.341 1.00 0.00 C ATOM 377 C LEU A 29 -14.635 -11.889 -1.185 1.00 0.00 C ATOM 378 O LEU A 29 -15.752 -12.377 -1.353 1.00 0.00 O ATOM 379 CB LEU A 29 -14.124 -10.056 -2.807 1.00 0.00 C ATOM 380 CG LEU A 29 -13.948 -8.573 -3.136 1.00 0.00 C ATOM 381 CD1 LEU A 29 -14.770 -7.714 -2.186 1.00 0.00 C ATOM 382 CD2 LEU A 29 -12.479 -8.183 -3.074 1.00 0.00 C ATOM 0 H LEU A 29 -12.644 -9.313 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.307 -9.868 -1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.221 -10.585 -3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -14.943 -10.447 -3.411 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.306 -8.401 -4.151 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.632 -6.662 -2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.824 -7.974 -2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.443 -7.890 -1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.373 -7.124 -3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.095 -8.371 -2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.915 -8.774 -3.795 1.00 0.00 H new ATOM 394 N GLY A 30 -13.570 -12.616 -0.859 1.00 0.00 N ATOM 395 CA GLY A 30 -13.678 -14.053 -0.683 1.00 0.00 C ATOM 396 C GLY A 30 -12.451 -14.650 -0.024 1.00 0.00 C ATOM 397 O GLY A 30 -11.598 -13.939 0.509 1.00 0.00 O ATOM 0 H GLY A 30 -12.635 -12.236 -0.714 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.557 -14.277 -0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.831 -14.524 -1.654 1.00 0.00 H new ATOM 401 N PRO A 31 -12.350 -15.987 -0.053 1.00 0.00 N ATOM 402 CA PRO A 31 -11.223 -16.709 0.543 1.00 0.00 C ATOM 403 C PRO A 31 -9.925 -16.497 -0.230 1.00 0.00 C ATOM 404 O PRO A 31 -8.834 -16.560 0.338 1.00 0.00 O ATOM 405 CB PRO A 31 -11.658 -18.175 0.464 1.00 0.00 C ATOM 406 CG PRO A 31 -12.621 -18.223 -0.672 1.00 0.00 C ATOM 407 CD PRO A 31 -13.330 -16.897 -0.671 1.00 0.00 C ATOM 0 HA PRO A 31 -11.011 -16.367 1.556 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.806 -18.832 0.289 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -12.125 -18.500 1.393 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -12.102 -18.387 -1.616 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.328 -19.044 -0.550 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -13.592 -16.580 -1.681 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -14.257 -16.937 -0.099 1.00 0.00 H new ATOM 415 N THR A 32 -10.050 -16.244 -1.529 1.00 0.00 N ATOM 416 CA THR A 32 -8.887 -16.023 -2.380 1.00 0.00 C ATOM 417 C THR A 32 -8.957 -14.663 -3.065 1.00 0.00 C ATOM 418 O THR A 32 -8.310 -14.438 -4.087 1.00 0.00 O ATOM 419 CB THR A 32 -8.759 -17.120 -3.453 1.00 0.00 C ATOM 420 OG1 THR A 32 -9.994 -17.253 -4.167 1.00 0.00 O ATOM 421 CG2 THR A 32 -8.386 -18.453 -2.823 1.00 0.00 C ATOM 0 H THR A 32 -10.945 -16.187 -2.015 1.00 0.00 H new ATOM 0 HA THR A 32 -8.011 -16.055 -1.732 1.00 0.00 H new ATOM 0 HB THR A 32 -7.968 -16.830 -4.145 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.904 -17.951 -4.849 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.301 -19.212 -3.601 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.432 -18.356 -2.305 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.157 -18.747 -2.111 1.00 0.00 H new ATOM 429 N SER A 33 -9.748 -13.759 -2.495 1.00 0.00 N ATOM 430 CA SER A 33 -9.905 -12.421 -3.053 1.00 0.00 C ATOM 431 C SER A 33 -9.892 -11.367 -1.950 1.00 0.00 C ATOM 432 O SER A 33 -10.352 -11.614 -0.834 1.00 0.00 O ATOM 433 CB SER A 33 -11.209 -12.328 -3.848 1.00 0.00 C ATOM 434 OG SER A 33 -12.223 -13.125 -3.261 1.00 0.00 O ATOM 0 H SER A 33 -10.290 -13.929 -1.648 1.00 0.00 H new ATOM 0 HA SER A 33 -9.065 -12.232 -3.722 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.538 -11.290 -3.892 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.036 -12.652 -4.874 1.00 0.00 H new ATOM 0 HG SER A 33 -13.046 -13.047 -3.787 1.00 0.00 H new ATOM 440 N LEU A 34 -9.363 -10.192 -2.270 1.00 0.00 N ATOM 441 CA LEU A 34 -9.289 -9.098 -1.307 1.00 0.00 C ATOM 442 C LEU A 34 -9.272 -7.748 -2.017 1.00 0.00 C ATOM 443 O LEU A 34 -9.054 -7.674 -3.226 1.00 0.00 O ATOM 444 CB LEU A 34 -8.042 -9.245 -0.434 1.00 0.00 C ATOM 445 CG LEU A 34 -8.220 -10.033 0.864 1.00 0.00 C ATOM 446 CD1 LEU A 34 -6.931 -10.749 1.235 1.00 0.00 C ATOM 447 CD2 LEU A 34 -8.663 -9.111 1.991 1.00 0.00 C ATOM 0 H LEU A 34 -8.979 -9.972 -3.189 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.175 -9.143 -0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.264 -9.728 -1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.679 -8.248 -0.183 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.996 -10.783 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.077 -11.304 2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.656 -11.439 0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.135 -10.017 1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.785 -9.689 2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.910 -8.339 2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.612 -8.644 1.728 1.00 0.00 H new ATOM 459 N ARG A 35 -9.500 -6.682 -1.256 1.00 0.00 N ATOM 460 CA ARG A 35 -9.509 -5.335 -1.812 1.00 0.00 C ATOM 461 C ARG A 35 -8.926 -4.333 -0.820 1.00 0.00 C ATOM 462 O ARG A 35 -9.555 -4.001 0.185 1.00 0.00 O ATOM 463 CB ARG A 35 -10.934 -4.925 -2.189 1.00 0.00 C ATOM 464 CG ARG A 35 -11.029 -3.533 -2.791 1.00 0.00 C ATOM 465 CD ARG A 35 -12.428 -2.955 -2.642 1.00 0.00 C ATOM 466 NE ARG A 35 -12.550 -1.647 -3.279 1.00 0.00 N ATOM 467 CZ ARG A 35 -12.815 -1.479 -4.570 1.00 0.00 C ATOM 468 NH1 ARG A 35 -12.984 -2.533 -5.357 1.00 0.00 N ATOM 469 NH2 ARG A 35 -12.911 -0.256 -5.075 1.00 0.00 N ATOM 0 H ARG A 35 -9.681 -6.726 -0.253 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.889 -5.335 -2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.334 -5.647 -2.900 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.563 -4.971 -1.300 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.309 -2.875 -2.304 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.761 -3.573 -3.847 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.152 -3.641 -3.081 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.673 -2.867 -1.584 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.425 -0.816 -2.701 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.911 -3.474 -4.971 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.187 -2.402 -6.348 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -12.781 0.556 -4.472 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -13.114 -0.128 -6.066 1.00 0.00 H new ATOM 483 N VAL A 36 -7.720 -3.855 -1.108 1.00 0.00 N ATOM 484 CA VAL A 36 -7.052 -2.892 -0.242 1.00 0.00 C ATOM 485 C VAL A 36 -7.288 -1.464 -0.723 1.00 0.00 C ATOM 486 O VAL A 36 -7.126 -1.162 -1.905 1.00 0.00 O ATOM 487 CB VAL A 36 -5.536 -3.155 -0.174 1.00 0.00 C ATOM 488 CG1 VAL A 36 -4.804 -1.930 0.355 1.00 0.00 C ATOM 489 CG2 VAL A 36 -5.245 -4.373 0.689 1.00 0.00 C ATOM 0 H VAL A 36 -7.185 -4.119 -1.935 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.479 -3.012 0.754 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.175 -3.357 -1.182 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.734 -2.135 0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.986 -1.083 -0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.167 -1.693 1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.169 -4.544 0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.620 -4.202 1.698 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.737 -5.247 0.262 1.00 0.00 H new ATOM 499 N SER A 37 -7.671 -0.590 0.202 1.00 0.00 N ATOM 500 CA SER A 37 -7.933 0.806 -0.129 1.00 0.00 C ATOM 501 C SER A 37 -7.264 1.737 0.879 1.00 0.00 C ATOM 502 O SER A 37 -7.480 1.621 2.085 1.00 0.00 O ATOM 503 CB SER A 37 -9.439 1.070 -0.163 1.00 0.00 C ATOM 504 OG SER A 37 -9.910 1.502 1.102 1.00 0.00 O ATOM 0 H SER A 37 -7.807 -0.823 1.186 1.00 0.00 H new ATOM 0 HA SER A 37 -7.515 1.005 -1.116 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.662 1.827 -0.915 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.964 0.162 -0.459 1.00 0.00 H new ATOM 0 HG SER A 37 -10.778 1.086 1.287 1.00 0.00 H new ATOM 510 N TRP A 38 -6.454 2.660 0.374 1.00 0.00 N ATOM 511 CA TRP A 38 -5.753 3.611 1.229 1.00 0.00 C ATOM 512 C TRP A 38 -6.309 5.019 1.046 1.00 0.00 C ATOM 513 O TRP A 38 -7.290 5.220 0.331 1.00 0.00 O ATOM 514 CB TRP A 38 -4.255 3.598 0.921 1.00 0.00 C ATOM 515 CG TRP A 38 -3.947 3.732 -0.539 1.00 0.00 C ATOM 516 CD1 TRP A 38 -3.555 4.866 -1.193 1.00 0.00 C ATOM 517 CD2 TRP A 38 -4.007 2.698 -1.527 1.00 0.00 C ATOM 518 NE1 TRP A 38 -3.368 4.598 -2.528 1.00 0.00 N ATOM 519 CE2 TRP A 38 -3.638 3.275 -2.758 1.00 0.00 C ATOM 520 CE3 TRP A 38 -4.334 1.340 -1.491 1.00 0.00 C ATOM 521 CZ2 TRP A 38 -3.590 2.540 -3.939 1.00 0.00 C ATOM 522 CZ3 TRP A 38 -4.286 0.612 -2.665 1.00 0.00 C ATOM 523 CH2 TRP A 38 -3.916 1.212 -3.875 1.00 0.00 C ATOM 0 H TRP A 38 -6.266 2.770 -0.622 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.906 3.311 2.266 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.773 4.412 1.463 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.823 2.668 1.292 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.413 5.831 -0.729 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.076 5.275 -3.233 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.619 0.868 -0.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.306 3.001 -4.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.538 -0.438 -2.649 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.887 0.616 -4.775 1.00 0.00 H new ATOM 534 N GLN A 39 -5.676 5.990 1.696 1.00 0.00 N ATOM 535 CA GLN A 39 -6.109 7.379 1.604 1.00 0.00 C ATOM 536 C GLN A 39 -4.996 8.261 1.047 1.00 0.00 C ATOM 537 O GLN A 39 -3.887 8.285 1.578 1.00 0.00 O ATOM 538 CB GLN A 39 -6.542 7.893 2.979 1.00 0.00 C ATOM 539 CG GLN A 39 -8.019 7.681 3.270 1.00 0.00 C ATOM 540 CD GLN A 39 -8.316 7.603 4.754 1.00 0.00 C ATOM 541 OE1 GLN A 39 -8.417 8.625 5.433 1.00 0.00 O ATOM 542 NE2 GLN A 39 -8.458 6.386 5.266 1.00 0.00 N ATOM 0 H GLN A 39 -4.862 5.840 2.292 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.959 7.423 0.923 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.953 7.392 3.747 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.316 8.957 3.048 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.593 8.497 2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.352 6.762 2.788 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.366 5.566 4.666 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.659 6.271 6.259 1.00 0.00 H new ATOM 551 N GLU A 40 -5.302 8.983 -0.027 1.00 0.00 N ATOM 552 CA GLU A 40 -4.326 9.864 -0.657 1.00 0.00 C ATOM 553 C GLU A 40 -3.609 10.716 0.387 1.00 0.00 C ATOM 554 O GLU A 40 -4.172 11.653 0.954 1.00 0.00 O ATOM 555 CB GLU A 40 -5.010 10.767 -1.685 1.00 0.00 C ATOM 556 CG GLU A 40 -4.038 11.526 -2.572 1.00 0.00 C ATOM 557 CD GLU A 40 -4.602 12.846 -3.062 1.00 0.00 C ATOM 558 OE1 GLU A 40 -5.454 13.425 -2.355 1.00 0.00 O ATOM 559 OE2 GLU A 40 -4.193 13.299 -4.151 1.00 0.00 O ATOM 0 H GLU A 40 -6.217 8.975 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.588 9.243 -1.164 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.662 10.160 -2.312 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.645 11.482 -1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.117 11.712 -2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.776 10.907 -3.430 1.00 0.00 H new ATOM 566 N PRO A 41 -2.336 10.384 0.648 1.00 0.00 N ATOM 567 CA PRO A 41 -1.514 11.105 1.625 1.00 0.00 C ATOM 568 C PRO A 41 -1.154 12.510 1.154 1.00 0.00 C ATOM 569 O PRO A 41 -1.463 12.896 0.026 1.00 0.00 O ATOM 570 CB PRO A 41 -0.257 10.240 1.738 1.00 0.00 C ATOM 571 CG PRO A 41 -0.179 9.513 0.439 1.00 0.00 C ATOM 572 CD PRO A 41 -1.601 9.279 0.010 1.00 0.00 C ATOM 0 HA PRO A 41 -2.036 11.247 2.571 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.630 10.851 1.904 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.328 9.547 2.576 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.362 10.099 -0.304 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.355 8.570 0.551 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.702 9.303 -1.075 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.967 8.308 0.343 1.00 0.00 H new ATOM 580 N ARG A 42 -0.499 13.271 2.024 1.00 0.00 N ATOM 581 CA ARG A 42 -0.097 14.634 1.697 1.00 0.00 C ATOM 582 C ARG A 42 1.158 14.637 0.829 1.00 0.00 C ATOM 583 O ARG A 42 2.121 13.923 1.110 1.00 0.00 O ATOM 584 CB ARG A 42 0.153 15.436 2.976 1.00 0.00 C ATOM 585 CG ARG A 42 1.470 15.102 3.657 1.00 0.00 C ATOM 586 CD ARG A 42 1.726 16.010 4.849 1.00 0.00 C ATOM 587 NE ARG A 42 2.360 17.266 4.455 1.00 0.00 N ATOM 588 CZ ARG A 42 3.664 17.395 4.240 1.00 0.00 C ATOM 589 NH1 ARG A 42 4.469 16.351 4.380 1.00 0.00 N ATOM 590 NH2 ARG A 42 4.165 18.571 3.883 1.00 0.00 N ATOM 0 H ARG A 42 -0.235 12.967 2.961 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.907 15.100 1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.137 16.499 2.737 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.664 15.254 3.674 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.458 14.063 3.986 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.286 15.200 2.941 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.783 16.222 5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.361 15.493 5.568 1.00 0.00 H new ATOM 0 HE ARG A 42 1.769 18.089 4.339 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.087 15.446 4.654 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.470 16.453 4.214 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.548 19.376 3.774 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.167 18.670 3.718 1.00 0.00 H new ATOM 604 N CYS A 43 1.139 15.445 -0.226 1.00 0.00 N ATOM 605 CA CYS A 43 2.275 15.540 -1.136 1.00 0.00 C ATOM 606 C CYS A 43 2.222 16.837 -1.937 1.00 0.00 C ATOM 607 O CYS A 43 1.333 17.029 -2.766 1.00 0.00 O ATOM 608 CB CYS A 43 2.297 14.341 -2.085 1.00 0.00 C ATOM 609 SG CYS A 43 0.772 14.119 -3.030 1.00 0.00 S ATOM 0 H CYS A 43 0.350 16.043 -0.472 1.00 0.00 H new ATOM 0 HA CYS A 43 3.188 15.539 -0.540 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.129 14.457 -2.780 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.488 13.437 -1.507 1.00 0.00 H new ATOM 0 HG CYS A 43 0.926 14.610 -4.224 1.00 0.00 H new ATOM 615 N GLU A 44 3.179 17.723 -1.682 1.00 0.00 N ATOM 616 CA GLU A 44 3.239 19.003 -2.379 1.00 0.00 C ATOM 617 C GLU A 44 3.210 18.801 -3.891 1.00 0.00 C ATOM 618 O GLU A 44 2.821 19.698 -4.640 1.00 0.00 O ATOM 619 CB GLU A 44 4.503 19.767 -1.980 1.00 0.00 C ATOM 620 CG GLU A 44 4.486 20.265 -0.544 1.00 0.00 C ATOM 621 CD GLU A 44 5.876 20.542 -0.006 1.00 0.00 C ATOM 622 OE1 GLU A 44 6.563 21.423 -0.563 1.00 0.00 O ATOM 623 OE2 GLU A 44 6.276 19.878 0.973 1.00 0.00 O ATOM 0 H GLU A 44 3.923 17.579 -0.999 1.00 0.00 H new ATOM 0 HA GLU A 44 2.364 19.586 -2.091 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.368 19.119 -2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.629 20.618 -2.649 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.890 21.176 -0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.997 19.524 0.088 1.00 0.00 H new ATOM 630 N ARG A 45 3.625 17.618 -4.333 1.00 0.00 N ATOM 631 CA ARG A 45 3.648 17.299 -5.755 1.00 0.00 C ATOM 632 C ARG A 45 2.579 16.265 -6.097 1.00 0.00 C ATOM 633 O ARG A 45 2.182 15.448 -5.267 1.00 0.00 O ATOM 634 CB ARG A 45 5.027 16.775 -6.159 1.00 0.00 C ATOM 635 CG ARG A 45 6.170 17.688 -5.746 1.00 0.00 C ATOM 636 CD ARG A 45 6.261 18.909 -6.647 1.00 0.00 C ATOM 637 NE ARG A 45 7.562 19.566 -6.550 1.00 0.00 N ATOM 638 CZ ARG A 45 7.932 20.582 -7.322 1.00 0.00 C ATOM 639 NH1 ARG A 45 7.103 21.055 -8.243 1.00 0.00 N ATOM 640 NH2 ARG A 45 9.132 21.127 -7.173 1.00 0.00 N ATOM 0 H ARG A 45 3.950 16.865 -3.726 1.00 0.00 H new ATOM 0 HA ARG A 45 3.437 18.213 -6.311 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.178 15.792 -5.712 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.053 16.641 -7.240 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.028 18.006 -4.713 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.109 17.136 -5.783 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.082 18.611 -7.680 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.477 19.617 -6.378 1.00 0.00 H new ATOM 0 HE ARG A 45 8.223 19.226 -5.851 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.179 20.639 -8.360 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.389 21.835 -8.834 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.772 20.766 -6.465 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.415 21.907 -7.766 1.00 0.00 H new ATOM 654 N PRO A 46 2.101 16.300 -7.350 1.00 0.00 N ATOM 655 CA PRO A 46 1.072 15.374 -7.832 1.00 0.00 C ATOM 656 C PRO A 46 1.594 13.947 -7.966 1.00 0.00 C ATOM 657 O PRO A 46 2.696 13.723 -8.470 1.00 0.00 O ATOM 658 CB PRO A 46 0.700 15.939 -9.205 1.00 0.00 C ATOM 659 CG PRO A 46 1.909 16.691 -9.645 1.00 0.00 C ATOM 660 CD PRO A 46 2.529 17.247 -8.394 1.00 0.00 C ATOM 0 HA PRO A 46 0.230 15.305 -7.143 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.452 15.143 -9.907 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.171 16.591 -9.142 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.606 16.037 -10.169 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.641 17.490 -10.336 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.615 17.296 -8.471 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.179 18.258 -8.187 1.00 0.00 H new ATOM 668 N LEU A 47 0.797 12.986 -7.514 1.00 0.00 N ATOM 669 CA LEU A 47 1.178 11.579 -7.585 1.00 0.00 C ATOM 670 C LEU A 47 0.917 11.014 -8.977 1.00 0.00 C ATOM 671 O LEU A 47 0.009 11.460 -9.678 1.00 0.00 O ATOM 672 CB LEU A 47 0.409 10.769 -6.540 1.00 0.00 C ATOM 673 CG LEU A 47 0.374 11.355 -5.128 1.00 0.00 C ATOM 674 CD1 LEU A 47 -0.858 10.872 -4.380 1.00 0.00 C ATOM 675 CD2 LEU A 47 1.640 10.990 -4.367 1.00 0.00 C ATOM 0 H LEU A 47 -0.117 13.155 -7.094 1.00 0.00 H new ATOM 0 HA LEU A 47 2.246 11.506 -7.378 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.617 10.648 -6.887 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.848 9.772 -6.487 1.00 0.00 H new ATOM 0 HG LEU A 47 0.323 12.441 -5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.866 11.299 -3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.755 11.185 -4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.838 9.784 -4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.597 11.416 -3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.723 9.905 -4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.508 11.387 -4.893 1.00 0.00 H new ATOM 687 N GLN A 48 1.717 10.028 -9.370 1.00 0.00 N ATOM 688 CA GLN A 48 1.570 9.400 -10.678 1.00 0.00 C ATOM 689 C GLN A 48 0.848 8.062 -10.561 1.00 0.00 C ATOM 690 O GLN A 48 0.272 7.570 -11.531 1.00 0.00 O ATOM 691 CB GLN A 48 2.941 9.199 -11.326 1.00 0.00 C ATOM 692 CG GLN A 48 3.709 10.493 -11.540 1.00 0.00 C ATOM 693 CD GLN A 48 4.905 10.318 -12.455 1.00 0.00 C ATOM 694 OE1 GLN A 48 4.786 9.779 -13.555 1.00 0.00 O ATOM 695 NE2 GLN A 48 6.068 10.775 -12.003 1.00 0.00 N ATOM 0 H GLN A 48 2.473 9.647 -8.802 1.00 0.00 H new ATOM 0 HA GLN A 48 0.972 10.060 -11.306 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.535 8.533 -10.700 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.810 8.701 -12.287 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.040 11.242 -11.963 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.047 10.874 -10.576 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.121 11.215 -11.084 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.908 10.686 -12.575 1.00 0.00 H new ATOM 704 N GLY A 49 0.884 7.477 -9.368 1.00 0.00 N ATOM 705 CA GLY A 49 0.230 6.201 -9.147 1.00 0.00 C ATOM 706 C GLY A 49 0.453 5.669 -7.745 1.00 0.00 C ATOM 707 O GLY A 49 0.703 6.437 -6.815 1.00 0.00 O ATOM 0 H GLY A 49 1.355 7.864 -8.550 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.840 6.309 -9.325 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.602 5.476 -9.871 1.00 0.00 H new ATOM 711 N TYR A 50 0.362 4.353 -7.592 1.00 0.00 N ATOM 712 CA TYR A 50 0.551 3.720 -6.292 1.00 0.00 C ATOM 713 C TYR A 50 1.098 2.304 -6.450 1.00 0.00 C ATOM 714 O TYR A 50 1.126 1.757 -7.552 1.00 0.00 O ATOM 715 CB TYR A 50 -0.769 3.686 -5.520 1.00 0.00 C ATOM 716 CG TYR A 50 -1.138 5.011 -4.894 1.00 0.00 C ATOM 717 CD1 TYR A 50 -1.775 5.999 -5.634 1.00 0.00 C ATOM 718 CD2 TYR A 50 -0.851 5.275 -3.560 1.00 0.00 C ATOM 719 CE1 TYR A 50 -2.114 7.211 -5.066 1.00 0.00 C ATOM 720 CE2 TYR A 50 -1.188 6.484 -2.983 1.00 0.00 C ATOM 721 CZ TYR A 50 -1.818 7.449 -3.740 1.00 0.00 C ATOM 722 OH TYR A 50 -2.155 8.655 -3.169 1.00 0.00 O ATOM 0 H TYR A 50 0.159 3.704 -8.352 1.00 0.00 H new ATOM 0 HA TYR A 50 1.276 4.310 -5.731 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.567 3.378 -6.195 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.703 2.930 -4.738 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.009 5.816 -6.672 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.356 4.522 -2.964 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.608 7.968 -5.657 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.959 6.672 -1.944 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.094 8.858 -3.363 1.00 0.00 H new ATOM 732 N SER A 51 1.531 1.717 -5.339 1.00 0.00 N ATOM 733 CA SER A 51 2.080 0.366 -5.353 1.00 0.00 C ATOM 734 C SER A 51 1.583 -0.435 -4.154 1.00 0.00 C ATOM 735 O SER A 51 1.700 0.002 -3.009 1.00 0.00 O ATOM 736 CB SER A 51 3.609 0.414 -5.350 1.00 0.00 C ATOM 737 OG SER A 51 4.158 -0.840 -4.984 1.00 0.00 O ATOM 0 H SER A 51 1.512 2.155 -4.418 1.00 0.00 H new ATOM 0 HA SER A 51 1.741 -0.128 -6.264 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.969 0.697 -6.339 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.951 1.181 -4.655 1.00 0.00 H new ATOM 0 HG SER A 51 5.136 -0.783 -4.991 1.00 0.00 H new ATOM 743 N VAL A 52 1.026 -1.611 -4.425 1.00 0.00 N ATOM 744 CA VAL A 52 0.511 -2.475 -3.369 1.00 0.00 C ATOM 745 C VAL A 52 1.249 -3.809 -3.342 1.00 0.00 C ATOM 746 O VAL A 52 0.951 -4.709 -4.126 1.00 0.00 O ATOM 747 CB VAL A 52 -0.997 -2.738 -3.545 1.00 0.00 C ATOM 748 CG1 VAL A 52 -1.540 -3.534 -2.369 1.00 0.00 C ATOM 749 CG2 VAL A 52 -1.751 -1.427 -3.707 1.00 0.00 C ATOM 0 H VAL A 52 0.920 -1.987 -5.367 1.00 0.00 H new ATOM 0 HA VAL A 52 0.674 -1.954 -2.426 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.143 -3.328 -4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.606 -3.710 -2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.019 -4.490 -2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.384 -2.974 -1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.814 -1.632 -3.830 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.601 -0.809 -2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.379 -0.899 -4.585 1.00 0.00 H new ATOM 759 N GLU A 53 2.212 -3.927 -2.434 1.00 0.00 N ATOM 760 CA GLU A 53 2.993 -5.152 -2.305 1.00 0.00 C ATOM 761 C GLU A 53 2.419 -6.050 -1.212 1.00 0.00 C ATOM 762 O GLU A 53 2.164 -5.601 -0.095 1.00 0.00 O ATOM 763 CB GLU A 53 4.454 -4.821 -1.994 1.00 0.00 C ATOM 764 CG GLU A 53 5.272 -4.464 -3.223 1.00 0.00 C ATOM 765 CD GLU A 53 6.480 -3.609 -2.892 1.00 0.00 C ATOM 766 OE1 GLU A 53 6.332 -2.370 -2.837 1.00 0.00 O ATOM 767 OE2 GLU A 53 7.572 -4.179 -2.688 1.00 0.00 O ATOM 0 H GLU A 53 2.470 -3.190 -1.777 1.00 0.00 H new ATOM 0 HA GLU A 53 2.943 -5.686 -3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.487 -3.988 -1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.914 -5.676 -1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.603 -5.380 -3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.639 -3.933 -3.934 1.00 0.00 H new ATOM 774 N TYR A 54 2.219 -7.321 -1.544 1.00 0.00 N ATOM 775 CA TYR A 54 1.673 -8.282 -0.593 1.00 0.00 C ATOM 776 C TYR A 54 2.441 -9.599 -0.649 1.00 0.00 C ATOM 777 O TYR A 54 2.818 -10.065 -1.724 1.00 0.00 O ATOM 778 CB TYR A 54 0.191 -8.530 -0.881 1.00 0.00 C ATOM 779 CG TYR A 54 -0.053 -9.381 -2.107 1.00 0.00 C ATOM 780 CD1 TYR A 54 0.013 -10.767 -2.038 1.00 0.00 C ATOM 781 CD2 TYR A 54 -0.350 -8.799 -3.333 1.00 0.00 C ATOM 782 CE1 TYR A 54 -0.209 -11.549 -3.156 1.00 0.00 C ATOM 783 CE2 TYR A 54 -0.575 -9.573 -4.455 1.00 0.00 C ATOM 784 CZ TYR A 54 -0.503 -10.947 -4.361 1.00 0.00 C ATOM 785 OH TYR A 54 -0.725 -11.721 -5.477 1.00 0.00 O ATOM 0 H TYR A 54 2.427 -7.709 -2.464 1.00 0.00 H new ATOM 0 HA TYR A 54 1.777 -7.864 0.408 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.262 -9.015 -0.016 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.311 -7.571 -1.009 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.242 -11.241 -1.095 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.406 -7.723 -3.410 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.152 -12.625 -3.086 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.806 -9.105 -5.400 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.920 -11.142 -6.243 1.00 0.00 H new ATOM 795 N GLN A 55 2.668 -10.194 0.518 1.00 0.00 N ATOM 796 CA GLN A 55 3.391 -11.457 0.603 1.00 0.00 C ATOM 797 C GLN A 55 3.155 -12.129 1.952 1.00 0.00 C ATOM 798 O GLN A 55 2.887 -11.462 2.952 1.00 0.00 O ATOM 799 CB GLN A 55 4.888 -11.228 0.389 1.00 0.00 C ATOM 800 CG GLN A 55 5.629 -10.830 1.655 1.00 0.00 C ATOM 801 CD GLN A 55 7.075 -10.457 1.391 1.00 0.00 C ATOM 802 OE1 GLN A 55 7.513 -9.353 1.716 1.00 0.00 O ATOM 803 NE2 GLN A 55 7.826 -11.379 0.800 1.00 0.00 N ATOM 0 H GLN A 55 2.362 -9.822 1.417 1.00 0.00 H new ATOM 0 HA GLN A 55 3.016 -12.115 -0.181 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.333 -12.139 -0.011 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.024 -10.450 -0.362 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.119 -9.986 2.120 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.594 -11.655 2.367 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.422 -12.281 0.548 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.807 -11.185 0.598 1.00 0.00 H new ATOM 812 N LEU A 56 3.256 -13.454 1.973 1.00 0.00 N ATOM 813 CA LEU A 56 3.053 -14.217 3.199 1.00 0.00 C ATOM 814 C LEU A 56 3.676 -13.503 4.394 1.00 0.00 C ATOM 815 O LEU A 56 4.887 -13.282 4.437 1.00 0.00 O ATOM 816 CB LEU A 56 3.654 -15.617 3.057 1.00 0.00 C ATOM 817 CG LEU A 56 2.811 -16.634 2.287 1.00 0.00 C ATOM 818 CD1 LEU A 56 3.623 -17.886 1.993 1.00 0.00 C ATOM 819 CD2 LEU A 56 1.552 -16.984 3.068 1.00 0.00 C ATOM 0 H LEU A 56 3.477 -14.022 1.155 1.00 0.00 H new ATOM 0 HA LEU A 56 1.980 -14.304 3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.621 -15.527 2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.843 -16.013 4.055 1.00 0.00 H new ATOM 0 HG LEU A 56 2.514 -16.187 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.007 -18.599 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.494 -17.622 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.951 -18.336 2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.964 -17.709 2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.829 -17.411 4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.960 -16.083 3.227 1.00 0.00 H new ATOM 831 N LEU A 57 2.842 -13.147 5.365 1.00 0.00 N ATOM 832 CA LEU A 57 3.311 -12.460 6.563 1.00 0.00 C ATOM 833 C LEU A 57 4.712 -12.925 6.944 1.00 0.00 C ATOM 834 O LEU A 57 5.657 -12.137 6.957 1.00 0.00 O ATOM 835 CB LEU A 57 2.346 -12.703 7.725 1.00 0.00 C ATOM 836 CG LEU A 57 2.295 -11.612 8.795 1.00 0.00 C ATOM 837 CD1 LEU A 57 1.428 -12.051 9.964 1.00 0.00 C ATOM 838 CD2 LEU A 57 3.698 -11.263 9.269 1.00 0.00 C ATOM 0 H LEU A 57 1.837 -13.323 5.346 1.00 0.00 H new ATOM 0 HA LEU A 57 3.349 -11.392 6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.343 -12.831 7.317 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.617 -13.643 8.206 1.00 0.00 H new ATOM 0 HG LEU A 57 1.850 -10.719 8.355 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.404 -11.262 10.715 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.415 -12.248 9.612 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.842 -12.958 10.404 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.642 -10.485 10.030 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.171 -12.150 9.691 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.288 -10.904 8.426 1.00 0.00 H new ATOM 850 N ASN A 58 4.839 -14.212 7.253 1.00 0.00 N ATOM 851 CA ASN A 58 6.126 -14.783 7.633 1.00 0.00 C ATOM 852 C ASN A 58 7.196 -14.452 6.597 1.00 0.00 C ATOM 853 O ASN A 58 8.260 -13.934 6.931 1.00 0.00 O ATOM 854 CB ASN A 58 6.007 -16.300 7.794 1.00 0.00 C ATOM 855 CG ASN A 58 6.063 -17.028 6.464 1.00 0.00 C ATOM 856 OD1 ASN A 58 7.112 -17.533 6.064 1.00 0.00 O ATOM 857 ND2 ASN A 58 4.931 -17.084 5.773 1.00 0.00 N ATOM 0 H ASN A 58 4.067 -14.878 7.248 1.00 0.00 H new ATOM 0 HA ASN A 58 6.422 -14.345 8.586 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.812 -16.659 8.436 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.069 -16.537 8.296 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.907 -17.560 4.871 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.085 -16.651 6.144 1.00 0.00 H new ATOM 864 N GLY A 59 6.904 -14.756 5.336 1.00 0.00 N ATOM 865 CA GLY A 59 7.850 -14.484 4.269 1.00 0.00 C ATOM 866 C GLY A 59 7.739 -15.475 3.128 1.00 0.00 C ATOM 867 O GLY A 59 8.233 -16.598 3.222 1.00 0.00 O ATOM 0 H GLY A 59 6.030 -15.186 5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.683 -13.476 3.888 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.863 -14.509 4.671 1.00 0.00 H new ATOM 871 N GLY A 60 7.085 -15.061 2.047 1.00 0.00 N ATOM 872 CA GLY A 60 6.920 -15.934 0.900 1.00 0.00 C ATOM 873 C GLY A 60 6.892 -15.171 -0.410 1.00 0.00 C ATOM 874 O GLY A 60 7.484 -14.098 -0.523 1.00 0.00 O ATOM 0 H GLY A 60 6.667 -14.136 1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.735 -16.658 0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.994 -16.499 1.008 1.00 0.00 H new ATOM 878 N GLU A 61 6.205 -15.727 -1.403 1.00 0.00 N ATOM 879 CA GLU A 61 6.105 -15.092 -2.711 1.00 0.00 C ATOM 880 C GLU A 61 5.599 -13.658 -2.583 1.00 0.00 C ATOM 881 O GLU A 61 4.525 -13.413 -2.033 1.00 0.00 O ATOM 882 CB GLU A 61 5.173 -15.894 -3.622 1.00 0.00 C ATOM 883 CG GLU A 61 5.528 -15.794 -5.096 1.00 0.00 C ATOM 884 CD GLU A 61 5.071 -17.003 -5.889 1.00 0.00 C ATOM 885 OE1 GLU A 61 3.862 -17.094 -6.189 1.00 0.00 O ATOM 886 OE2 GLU A 61 5.923 -17.858 -6.211 1.00 0.00 O ATOM 0 H GLU A 61 5.710 -16.615 -1.326 1.00 0.00 H new ATOM 0 HA GLU A 61 7.101 -15.069 -3.152 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.198 -16.941 -3.321 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.150 -15.545 -3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.074 -14.896 -5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.607 -15.683 -5.199 1.00 0.00 H new ATOM 893 N LEU A 62 6.381 -12.714 -3.095 1.00 0.00 N ATOM 894 CA LEU A 62 6.014 -11.303 -3.038 1.00 0.00 C ATOM 895 C LEU A 62 5.472 -10.826 -4.382 1.00 0.00 C ATOM 896 O LEU A 62 6.099 -11.029 -5.423 1.00 0.00 O ATOM 897 CB LEU A 62 7.223 -10.457 -2.634 1.00 0.00 C ATOM 898 CG LEU A 62 7.028 -8.941 -2.681 1.00 0.00 C ATOM 899 CD1 LEU A 62 6.922 -8.461 -4.120 1.00 0.00 C ATOM 900 CD2 LEU A 62 5.792 -8.538 -1.890 1.00 0.00 C ATOM 0 H LEU A 62 7.273 -12.900 -3.554 1.00 0.00 H new ATOM 0 HA LEU A 62 5.230 -11.187 -2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.513 -10.735 -1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.057 -10.716 -3.286 1.00 0.00 H new ATOM 0 HG LEU A 62 7.897 -8.467 -2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.784 -7.380 -4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.835 -8.717 -4.657 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.071 -8.942 -4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.669 -7.456 -1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.913 -9.021 -2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.908 -8.848 -0.851 1.00 0.00 H new ATOM 912 N HIS A 63 4.305 -10.191 -4.352 1.00 0.00 N ATOM 913 CA HIS A 63 3.680 -9.682 -5.568 1.00 0.00 C ATOM 914 C HIS A 63 3.502 -8.169 -5.495 1.00 0.00 C ATOM 915 O HIS A 63 2.838 -7.655 -4.595 1.00 0.00 O ATOM 916 CB HIS A 63 2.326 -10.357 -5.791 1.00 0.00 C ATOM 917 CG HIS A 63 2.423 -11.835 -6.010 1.00 0.00 C ATOM 918 ND1 HIS A 63 1.936 -12.462 -7.138 1.00 0.00 N ATOM 919 CD2 HIS A 63 2.955 -12.812 -5.239 1.00 0.00 C ATOM 920 CE1 HIS A 63 2.164 -13.761 -7.050 1.00 0.00 C ATOM 921 NE2 HIS A 63 2.781 -13.999 -5.907 1.00 0.00 N ATOM 0 H HIS A 63 3.773 -10.016 -3.499 1.00 0.00 H new ATOM 0 HA HIS A 63 4.335 -9.912 -6.408 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.688 -10.167 -4.928 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.840 -9.901 -6.653 1.00 0.00 H new ATOM 0 HD1 HIS A 63 1.472 -11.996 -7.918 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.428 -12.682 -4.277 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.892 -14.502 -7.787 1.00 0.00 H new ATOM 929 N ARG A 64 4.100 -7.461 -6.448 1.00 0.00 N ATOM 930 CA ARG A 64 4.008 -6.007 -6.490 1.00 0.00 C ATOM 931 C ARG A 64 2.937 -5.558 -7.480 1.00 0.00 C ATOM 932 O ARG A 64 2.987 -5.897 -8.663 1.00 0.00 O ATOM 933 CB ARG A 64 5.359 -5.401 -6.875 1.00 0.00 C ATOM 934 CG ARG A 64 5.394 -3.884 -6.787 1.00 0.00 C ATOM 935 CD ARG A 64 6.622 -3.313 -7.479 1.00 0.00 C ATOM 936 NE ARG A 64 6.424 -3.177 -8.919 1.00 0.00 N ATOM 937 CZ ARG A 64 7.353 -2.713 -9.748 1.00 0.00 C ATOM 938 NH1 ARG A 64 8.537 -2.342 -9.280 1.00 0.00 N ATOM 939 NH2 ARG A 64 7.098 -2.619 -11.046 1.00 0.00 N ATOM 0 H ARG A 64 4.653 -7.871 -7.201 1.00 0.00 H new ATOM 0 HA ARG A 64 3.729 -5.657 -5.496 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.131 -5.812 -6.224 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.606 -5.703 -7.893 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.494 -3.471 -7.242 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.390 -3.579 -5.741 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.859 -2.338 -7.052 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.478 -3.960 -7.290 1.00 0.00 H new ATOM 0 HE ARG A 64 5.523 -3.453 -9.310 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.736 -2.413 -8.282 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.249 -1.986 -9.918 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.188 -2.903 -11.409 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.812 -2.263 -11.681 1.00 0.00 H new ATOM 953 N LEU A 65 1.968 -4.794 -6.988 1.00 0.00 N ATOM 954 CA LEU A 65 0.883 -4.299 -7.828 1.00 0.00 C ATOM 955 C LEU A 65 1.039 -2.805 -8.094 1.00 0.00 C ATOM 956 O LEU A 65 1.043 -1.997 -7.166 1.00 0.00 O ATOM 957 CB LEU A 65 -0.468 -4.572 -7.165 1.00 0.00 C ATOM 958 CG LEU A 65 -0.738 -6.023 -6.765 1.00 0.00 C ATOM 959 CD1 LEU A 65 -1.923 -6.104 -5.815 1.00 0.00 C ATOM 960 CD2 LEU A 65 -0.983 -6.879 -8.000 1.00 0.00 C ATOM 0 H LEU A 65 1.911 -4.504 -6.012 1.00 0.00 H new ATOM 0 HA LEU A 65 0.926 -4.826 -8.781 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.545 -3.950 -6.273 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.256 -4.251 -7.846 1.00 0.00 H new ATOM 0 HG LEU A 65 0.142 -6.407 -6.249 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.100 -7.144 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.710 -5.524 -4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.810 -5.702 -6.305 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.173 -7.909 -7.697 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.846 -6.495 -8.543 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.105 -6.847 -8.645 1.00 0.00 H new ATOM 972 N ASN A 66 1.165 -2.445 -9.367 1.00 0.00 N ATOM 973 CA ASN A 66 1.319 -1.048 -9.755 1.00 0.00 C ATOM 974 C ASN A 66 -0.025 -0.440 -10.145 1.00 0.00 C ATOM 975 O ASN A 66 -0.868 -1.106 -10.748 1.00 0.00 O ATOM 976 CB ASN A 66 2.303 -0.926 -10.920 1.00 0.00 C ATOM 977 CG ASN A 66 3.738 -1.164 -10.491 1.00 0.00 C ATOM 978 OD1 ASN A 66 4.152 -2.303 -10.274 1.00 0.00 O ATOM 979 ND2 ASN A 66 4.505 -0.087 -10.368 1.00 0.00 N ATOM 0 H ASN A 66 1.163 -3.102 -10.148 1.00 0.00 H new ATOM 0 HA ASN A 66 1.711 -0.500 -8.898 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.035 -1.643 -11.696 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.218 0.067 -11.361 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.480 -0.185 -10.083 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.120 0.838 -10.558 1.00 0.00 H new ATOM 986 N ILE A 67 -0.218 0.828 -9.797 1.00 0.00 N ATOM 987 CA ILE A 67 -1.459 1.525 -10.112 1.00 0.00 C ATOM 988 C ILE A 67 -1.221 2.638 -11.127 1.00 0.00 C ATOM 989 O ILE A 67 -0.641 3.680 -10.820 1.00 0.00 O ATOM 990 CB ILE A 67 -2.102 2.127 -8.849 1.00 0.00 C ATOM 991 CG1 ILE A 67 -2.013 1.139 -7.684 1.00 0.00 C ATOM 992 CG2 ILE A 67 -3.551 2.505 -9.121 1.00 0.00 C ATOM 993 CD1 ILE A 67 -2.899 -0.076 -7.854 1.00 0.00 C ATOM 0 H ILE A 67 0.469 1.393 -9.297 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.137 0.786 -10.538 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.556 3.030 -8.577 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.979 0.812 -7.573 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.286 1.652 -6.762 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.992 2.929 -8.219 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.590 3.240 -9.924 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.110 1.616 -9.415 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.785 -0.733 -6.992 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.939 0.240 -7.934 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.612 -0.612 -8.759 1.00 0.00 H new ATOM 1005 N PRO A 68 -1.681 2.415 -12.368 1.00 0.00 N ATOM 1006 CA PRO A 68 -1.532 3.388 -13.454 1.00 0.00 C ATOM 1007 C PRO A 68 -2.402 4.624 -13.248 1.00 0.00 C ATOM 1008 O PRO A 68 -2.443 5.513 -14.097 1.00 0.00 O ATOM 1009 CB PRO A 68 -1.990 2.612 -14.691 1.00 0.00 C ATOM 1010 CG PRO A 68 -2.911 1.567 -14.163 1.00 0.00 C ATOM 1011 CD PRO A 68 -2.381 1.196 -12.805 1.00 0.00 C ATOM 0 HA PRO A 68 -0.512 3.767 -13.525 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.497 3.264 -15.402 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.144 2.166 -15.214 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.931 1.945 -14.094 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.936 0.700 -14.823 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.185 0.927 -12.120 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.706 0.342 -12.857 1.00 0.00 H new ATOM 1019 N ASN A 69 -3.094 4.672 -12.115 1.00 0.00 N ATOM 1020 CA ASN A 69 -3.964 5.799 -11.798 1.00 0.00 C ATOM 1021 C ASN A 69 -3.704 6.306 -10.383 1.00 0.00 C ATOM 1022 O ASN A 69 -3.949 5.614 -9.394 1.00 0.00 O ATOM 1023 CB ASN A 69 -5.432 5.395 -11.945 1.00 0.00 C ATOM 1024 CG ASN A 69 -6.343 6.590 -12.153 1.00 0.00 C ATOM 1025 OD1 ASN A 69 -5.919 7.626 -12.665 1.00 0.00 O ATOM 1026 ND2 ASN A 69 -7.602 6.450 -11.754 1.00 0.00 N ATOM 0 H ASN A 69 -3.070 3.944 -11.401 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.744 6.604 -12.500 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.535 4.712 -12.788 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.747 4.852 -11.054 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.261 7.220 -11.867 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.909 5.573 -11.335 1.00 0.00 H new ATOM 1033 N PRO A 70 -3.195 7.543 -10.281 1.00 0.00 N ATOM 1034 CA PRO A 70 -2.891 8.170 -8.991 1.00 0.00 C ATOM 1035 C PRO A 70 -4.150 8.518 -8.205 1.00 0.00 C ATOM 1036 O PRO A 70 -4.077 8.922 -7.045 1.00 0.00 O ATOM 1037 CB PRO A 70 -2.138 9.443 -9.385 1.00 0.00 C ATOM 1038 CG PRO A 70 -2.610 9.752 -10.764 1.00 0.00 C ATOM 1039 CD PRO A 70 -2.877 8.424 -11.417 1.00 0.00 C ATOM 0 HA PRO A 70 -2.323 7.507 -8.339 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.358 10.261 -8.699 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.059 9.288 -9.361 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.512 10.364 -10.740 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.858 10.315 -11.317 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.705 8.483 -12.124 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.009 8.067 -11.972 1.00 0.00 H new ATOM 1047 N ALA A 71 -5.304 8.359 -8.845 1.00 0.00 N ATOM 1048 CA ALA A 71 -6.580 8.654 -8.204 1.00 0.00 C ATOM 1049 C ALA A 71 -7.188 7.398 -7.587 1.00 0.00 C ATOM 1050 O ALA A 71 -7.922 7.474 -6.602 1.00 0.00 O ATOM 1051 CB ALA A 71 -7.544 9.271 -9.206 1.00 0.00 C ATOM 0 H ALA A 71 -5.382 8.028 -9.807 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.399 9.370 -7.402 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.492 9.486 -8.714 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.120 10.196 -9.597 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.711 8.574 -10.027 1.00 0.00 H new ATOM 1057 N GLN A 72 -6.877 6.247 -8.173 1.00 0.00 N ATOM 1058 CA GLN A 72 -7.395 4.975 -7.681 1.00 0.00 C ATOM 1059 C GLN A 72 -6.711 4.578 -6.377 1.00 0.00 C ATOM 1060 O GLN A 72 -5.596 4.053 -6.382 1.00 0.00 O ATOM 1061 CB GLN A 72 -7.197 3.880 -8.729 1.00 0.00 C ATOM 1062 CG GLN A 72 -7.439 2.477 -8.196 1.00 0.00 C ATOM 1063 CD GLN A 72 -6.836 1.404 -9.082 1.00 0.00 C ATOM 1064 OE1 GLN A 72 -6.749 1.564 -10.299 1.00 0.00 O ATOM 1065 NE2 GLN A 72 -6.416 0.301 -8.473 1.00 0.00 N ATOM 0 H GLN A 72 -6.269 6.168 -8.988 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.461 5.095 -7.489 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.871 4.063 -9.566 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.181 3.941 -9.119 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.017 2.395 -7.194 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.512 2.307 -8.105 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.508 0.211 -7.461 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -6.002 -0.456 -9.017 1.00 0.00 H new ATOM 1074 N THR A 73 -7.384 4.831 -5.259 1.00 0.00 N ATOM 1075 CA THR A 73 -6.841 4.501 -3.948 1.00 0.00 C ATOM 1076 C THR A 73 -7.406 3.181 -3.435 1.00 0.00 C ATOM 1077 O THR A 73 -7.643 3.019 -2.238 1.00 0.00 O ATOM 1078 CB THR A 73 -7.142 5.608 -2.920 1.00 0.00 C ATOM 1079 OG1 THR A 73 -8.556 5.730 -2.730 1.00 0.00 O ATOM 1080 CG2 THR A 73 -6.569 6.941 -3.379 1.00 0.00 C ATOM 0 H THR A 73 -8.307 5.264 -5.236 1.00 0.00 H new ATOM 0 HA THR A 73 -5.761 4.410 -4.068 1.00 0.00 H new ATOM 0 HB THR A 73 -6.673 5.334 -1.975 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.738 6.435 -2.074 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.793 7.708 -2.638 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.489 6.852 -3.494 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.014 7.219 -4.335 1.00 0.00 H new ATOM 1088 N SER A 74 -7.620 2.239 -4.348 1.00 0.00 N ATOM 1089 CA SER A 74 -8.160 0.934 -3.988 1.00 0.00 C ATOM 1090 C SER A 74 -7.857 -0.097 -5.072 1.00 0.00 C ATOM 1091 O SER A 74 -8.119 0.131 -6.253 1.00 0.00 O ATOM 1092 CB SER A 74 -9.671 1.027 -3.765 1.00 0.00 C ATOM 1093 OG SER A 74 -10.309 1.667 -4.857 1.00 0.00 O ATOM 0 H SER A 74 -7.427 2.356 -5.343 1.00 0.00 H new ATOM 0 HA SER A 74 -7.682 0.614 -3.062 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.085 0.027 -3.633 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.873 1.579 -2.847 1.00 0.00 H new ATOM 0 HG SER A 74 -9.856 1.421 -5.690 1.00 0.00 H new ATOM 1099 N VAL A 75 -7.304 -1.234 -4.660 1.00 0.00 N ATOM 1100 CA VAL A 75 -6.966 -2.301 -5.594 1.00 0.00 C ATOM 1101 C VAL A 75 -7.450 -3.653 -5.081 1.00 0.00 C ATOM 1102 O VAL A 75 -7.469 -3.902 -3.876 1.00 0.00 O ATOM 1103 CB VAL A 75 -5.447 -2.371 -5.840 1.00 0.00 C ATOM 1104 CG1 VAL A 75 -4.724 -2.837 -4.586 1.00 0.00 C ATOM 1105 CG2 VAL A 75 -5.140 -3.288 -7.015 1.00 0.00 C ATOM 0 H VAL A 75 -7.081 -1.439 -3.686 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.468 -2.071 -6.534 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.089 -1.371 -6.086 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.652 -2.880 -4.779 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.918 -2.138 -3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.083 -3.828 -4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.062 -3.326 -7.175 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.511 -4.290 -6.801 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.627 -2.905 -7.912 1.00 0.00 H new ATOM 1115 N VAL A 76 -7.840 -4.526 -6.005 1.00 0.00 N ATOM 1116 CA VAL A 76 -8.322 -5.854 -5.648 1.00 0.00 C ATOM 1117 C VAL A 76 -7.209 -6.890 -5.756 1.00 0.00 C ATOM 1118 O VAL A 76 -6.641 -7.098 -6.828 1.00 0.00 O ATOM 1119 CB VAL A 76 -9.498 -6.284 -6.544 1.00 0.00 C ATOM 1120 CG1 VAL A 76 -9.905 -7.718 -6.240 1.00 0.00 C ATOM 1121 CG2 VAL A 76 -10.676 -5.338 -6.368 1.00 0.00 C ATOM 0 H VAL A 76 -7.831 -4.336 -7.007 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.664 -5.799 -4.615 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.176 -6.236 -7.584 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.737 -8.004 -6.883 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.060 -8.382 -6.423 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -10.209 -7.796 -5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -11.498 -5.657 -7.009 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -11.001 -5.351 -5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.375 -4.327 -6.641 1.00 0.00 H new ATOM 1131 N VAL A 77 -6.902 -7.540 -4.637 1.00 0.00 N ATOM 1132 CA VAL A 77 -5.858 -8.557 -4.606 1.00 0.00 C ATOM 1133 C VAL A 77 -6.456 -9.959 -4.590 1.00 0.00 C ATOM 1134 O VAL A 77 -7.237 -10.300 -3.702 1.00 0.00 O ATOM 1135 CB VAL A 77 -4.945 -8.386 -3.377 1.00 0.00 C ATOM 1136 CG1 VAL A 77 -3.844 -9.436 -3.380 1.00 0.00 C ATOM 1137 CG2 VAL A 77 -4.356 -6.984 -3.343 1.00 0.00 C ATOM 0 H VAL A 77 -7.362 -7.380 -3.741 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.265 -8.429 -5.511 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.545 -8.526 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.209 -9.300 -2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.290 -10.430 -3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.244 -9.331 -4.284 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.714 -6.880 -2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.770 -6.814 -4.246 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.162 -6.252 -3.290 1.00 0.00 H new ATOM 1147 N GLU A 78 -6.084 -10.767 -5.578 1.00 0.00 N ATOM 1148 CA GLU A 78 -6.585 -12.133 -5.676 1.00 0.00 C ATOM 1149 C GLU A 78 -5.437 -13.122 -5.857 1.00 0.00 C ATOM 1150 O GLU A 78 -4.268 -12.736 -5.872 1.00 0.00 O ATOM 1151 CB GLU A 78 -7.567 -12.256 -6.843 1.00 0.00 C ATOM 1152 CG GLU A 78 -8.752 -11.310 -6.743 1.00 0.00 C ATOM 1153 CD GLU A 78 -9.888 -11.697 -7.670 1.00 0.00 C ATOM 1154 OE1 GLU A 78 -10.054 -12.908 -7.931 1.00 0.00 O ATOM 1155 OE2 GLU A 78 -10.610 -10.791 -8.136 1.00 0.00 O ATOM 0 H GLU A 78 -5.438 -10.500 -6.321 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.103 -12.371 -4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.036 -12.063 -7.775 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.934 -13.281 -6.892 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.115 -11.296 -5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.425 -10.297 -6.979 1.00 0.00 H new ATOM 1162 N ASP A 79 -5.779 -14.398 -5.994 1.00 0.00 N ATOM 1163 CA ASP A 79 -4.778 -15.443 -6.175 1.00 0.00 C ATOM 1164 C ASP A 79 -3.947 -15.624 -4.909 1.00 0.00 C ATOM 1165 O ASP A 79 -2.734 -15.829 -4.974 1.00 0.00 O ATOM 1166 CB ASP A 79 -3.866 -15.106 -7.356 1.00 0.00 C ATOM 1167 CG ASP A 79 -3.059 -16.302 -7.823 1.00 0.00 C ATOM 1168 OD1 ASP A 79 -1.951 -16.517 -7.288 1.00 0.00 O ATOM 1169 OD2 ASP A 79 -3.536 -17.023 -8.724 1.00 0.00 O ATOM 0 H ASP A 79 -6.742 -14.734 -5.983 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.298 -16.378 -6.383 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.470 -14.733 -8.183 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.187 -14.303 -7.070 1.00 0.00 H new ATOM 1174 N LEU A 80 -4.606 -15.547 -3.758 1.00 0.00 N ATOM 1175 CA LEU A 80 -3.928 -15.701 -2.476 1.00 0.00 C ATOM 1176 C LEU A 80 -4.170 -17.091 -1.896 1.00 0.00 C ATOM 1177 O LEU A 80 -4.951 -17.874 -2.438 1.00 0.00 O ATOM 1178 CB LEU A 80 -4.410 -14.634 -1.491 1.00 0.00 C ATOM 1179 CG LEU A 80 -4.336 -13.187 -1.979 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -5.401 -12.340 -1.300 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -2.951 -12.609 -1.728 1.00 0.00 C ATOM 0 H LEU A 80 -5.609 -15.379 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.858 -15.578 -2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.444 -14.854 -1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.821 -14.719 -0.578 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.522 -13.176 -3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.333 -11.313 -1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.388 -12.741 -1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.247 -12.358 -0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.917 -11.579 -2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.735 -12.633 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.208 -13.201 -2.262 1.00 0.00 H new ATOM 1193 N LEU A 81 -3.496 -17.390 -0.791 1.00 0.00 N ATOM 1194 CA LEU A 81 -3.639 -18.686 -0.135 1.00 0.00 C ATOM 1195 C LEU A 81 -4.556 -18.583 1.079 1.00 0.00 C ATOM 1196 O LEU A 81 -4.473 -17.646 1.873 1.00 0.00 O ATOM 1197 CB LEU A 81 -2.269 -19.218 0.290 1.00 0.00 C ATOM 1198 CG LEU A 81 -1.422 -19.851 -0.815 1.00 0.00 C ATOM 1199 CD1 LEU A 81 0.032 -19.953 -0.382 1.00 0.00 C ATOM 1200 CD2 LEU A 81 -1.968 -21.223 -1.185 1.00 0.00 C ATOM 0 H LEU A 81 -2.845 -16.754 -0.330 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.086 -19.379 -0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.703 -18.396 0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.417 -19.959 1.076 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.472 -19.212 -1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.619 -20.406 -1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.419 -18.957 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.102 -20.570 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.353 -21.659 -1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.948 -21.871 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.994 -21.123 -1.539 1.00 0.00 H new ATOM 1212 N PRO A 82 -5.452 -19.570 1.229 1.00 0.00 N ATOM 1213 CA PRO A 82 -6.401 -19.615 2.346 1.00 0.00 C ATOM 1214 C PRO A 82 -5.715 -19.902 3.677 1.00 0.00 C ATOM 1215 O PRO A 82 -4.725 -20.630 3.732 1.00 0.00 O ATOM 1216 CB PRO A 82 -7.338 -20.765 1.968 1.00 0.00 C ATOM 1217 CG PRO A 82 -6.527 -21.638 1.075 1.00 0.00 C ATOM 1218 CD PRO A 82 -5.607 -20.718 0.320 1.00 0.00 C ATOM 0 HA PRO A 82 -6.910 -18.662 2.488 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.675 -21.307 2.851 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.230 -20.398 1.459 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.961 -22.368 1.653 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.166 -22.198 0.392 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.650 -21.194 0.106 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.035 -20.418 -0.637 1.00 0.00 H new ATOM 1226 N ASN A 83 -6.250 -19.326 4.749 1.00 0.00 N ATOM 1227 CA ASN A 83 -5.689 -19.520 6.081 1.00 0.00 C ATOM 1228 C ASN A 83 -4.200 -19.186 6.099 1.00 0.00 C ATOM 1229 O ASN A 83 -3.389 -19.944 6.631 1.00 0.00 O ATOM 1230 CB ASN A 83 -5.904 -20.963 6.542 1.00 0.00 C ATOM 1231 CG ASN A 83 -7.353 -21.251 6.884 1.00 0.00 C ATOM 1232 OD1 ASN A 83 -7.661 -21.739 7.972 1.00 0.00 O ATOM 1233 ND2 ASN A 83 -8.252 -20.948 5.955 1.00 0.00 N ATOM 0 H ASN A 83 -7.071 -18.721 4.721 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.203 -18.845 6.766 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.576 -21.645 5.757 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.282 -21.159 7.415 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.243 -21.118 6.129 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.952 -20.545 5.067 1.00 0.00 H new ATOM 1240 N HIS A 84 -3.848 -18.046 5.513 1.00 0.00 N ATOM 1241 CA HIS A 84 -2.457 -17.610 5.462 1.00 0.00 C ATOM 1242 C HIS A 84 -2.359 -16.092 5.579 1.00 0.00 C ATOM 1243 O HIS A 84 -3.015 -15.359 4.839 1.00 0.00 O ATOM 1244 CB HIS A 84 -1.802 -18.076 4.162 1.00 0.00 C ATOM 1245 CG HIS A 84 -1.341 -19.500 4.200 1.00 0.00 C ATOM 1246 ND1 HIS A 84 -2.201 -20.573 4.091 1.00 0.00 N ATOM 1247 CD2 HIS A 84 -0.101 -20.027 4.335 1.00 0.00 C ATOM 1248 CE1 HIS A 84 -1.510 -21.697 4.160 1.00 0.00 C ATOM 1249 NE2 HIS A 84 -0.233 -21.393 4.307 1.00 0.00 N ATOM 0 H HIS A 84 -4.507 -17.408 5.067 1.00 0.00 H new ATOM 0 HA HIS A 84 -1.931 -18.057 6.306 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.511 -17.954 3.344 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -0.950 -17.433 3.943 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -3.212 -20.509 3.975 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.821 -19.475 4.444 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.920 -22.695 4.105 1.00 0.00 H new ATOM 1257 N SER A 85 -1.537 -15.627 6.514 1.00 0.00 N ATOM 1258 CA SER A 85 -1.357 -14.196 6.732 1.00 0.00 C ATOM 1259 C SER A 85 -0.580 -13.566 5.580 1.00 0.00 C ATOM 1260 O SER A 85 0.217 -14.230 4.916 1.00 0.00 O ATOM 1261 CB SER A 85 -0.625 -13.948 8.052 1.00 0.00 C ATOM 1262 OG SER A 85 -1.388 -14.411 9.153 1.00 0.00 O ATOM 0 H SER A 85 -0.985 -16.220 7.133 1.00 0.00 H new ATOM 0 HA SER A 85 -2.343 -13.733 6.779 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.341 -14.453 8.037 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.425 -12.883 8.166 1.00 0.00 H new ATOM 0 HG SER A 85 -0.898 -14.243 9.985 1.00 0.00 H new ATOM 1268 N TYR A 86 -0.817 -12.280 5.349 1.00 0.00 N ATOM 1269 CA TYR A 86 -0.142 -11.558 4.277 1.00 0.00 C ATOM 1270 C TYR A 86 0.113 -10.107 4.673 1.00 0.00 C ATOM 1271 O TYR A 86 -0.810 -9.380 5.039 1.00 0.00 O ATOM 1272 CB TYR A 86 -0.976 -11.610 2.995 1.00 0.00 C ATOM 1273 CG TYR A 86 -0.789 -12.883 2.202 1.00 0.00 C ATOM 1274 CD1 TYR A 86 0.201 -12.982 1.233 1.00 0.00 C ATOM 1275 CD2 TYR A 86 -1.603 -13.988 2.422 1.00 0.00 C ATOM 1276 CE1 TYR A 86 0.375 -14.144 0.505 1.00 0.00 C ATOM 1277 CE2 TYR A 86 -1.436 -15.154 1.700 1.00 0.00 C ATOM 1278 CZ TYR A 86 -0.446 -15.226 0.743 1.00 0.00 C ATOM 1279 OH TYR A 86 -0.275 -16.385 0.021 1.00 0.00 O ATOM 0 H TYR A 86 -1.472 -11.715 5.890 1.00 0.00 H new ATOM 0 HA TYR A 86 0.819 -12.040 4.098 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.030 -11.504 3.253 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.714 -10.759 2.367 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.846 -12.136 1.045 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.380 -13.934 3.171 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.149 -14.204 -0.246 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.077 -16.004 1.884 1.00 0.00 H new ATOM 0 HH TYR A 86 0.667 -16.477 -0.232 1.00 0.00 H new ATOM 1289 N VAL A 87 1.374 -9.693 4.595 1.00 0.00 N ATOM 1290 CA VAL A 87 1.753 -8.328 4.943 1.00 0.00 C ATOM 1291 C VAL A 87 1.616 -7.397 3.744 1.00 0.00 C ATOM 1292 O VAL A 87 2.437 -7.423 2.827 1.00 0.00 O ATOM 1293 CB VAL A 87 3.200 -8.264 5.466 1.00 0.00 C ATOM 1294 CG1 VAL A 87 4.166 -8.834 4.438 1.00 0.00 C ATOM 1295 CG2 VAL A 87 3.573 -6.834 5.825 1.00 0.00 C ATOM 0 H VAL A 87 2.150 -10.283 4.294 1.00 0.00 H new ATOM 0 HA VAL A 87 1.075 -8.002 5.731 1.00 0.00 H new ATOM 0 HB VAL A 87 3.269 -8.871 6.369 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.183 -8.780 4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.910 -9.874 4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.098 -8.257 3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.599 -6.807 6.193 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.488 -6.203 4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.900 -6.466 6.599 1.00 0.00 H new ATOM 1305 N PHE A 88 0.572 -6.574 3.757 1.00 0.00 N ATOM 1306 CA PHE A 88 0.327 -5.634 2.670 1.00 0.00 C ATOM 1307 C PHE A 88 1.017 -4.300 2.938 1.00 0.00 C ATOM 1308 O PHE A 88 0.877 -3.722 4.016 1.00 0.00 O ATOM 1309 CB PHE A 88 -1.177 -5.415 2.486 1.00 0.00 C ATOM 1310 CG PHE A 88 -1.868 -6.555 1.795 1.00 0.00 C ATOM 1311 CD1 PHE A 88 -1.877 -7.821 2.357 1.00 0.00 C ATOM 1312 CD2 PHE A 88 -2.511 -6.360 0.583 1.00 0.00 C ATOM 1313 CE1 PHE A 88 -2.512 -8.871 1.723 1.00 0.00 C ATOM 1314 CE2 PHE A 88 -3.148 -7.406 -0.056 1.00 0.00 C ATOM 1315 CZ PHE A 88 -3.149 -8.664 0.515 1.00 0.00 C ATOM 0 H PHE A 88 -0.117 -6.539 4.508 1.00 0.00 H new ATOM 0 HA PHE A 88 0.740 -6.059 1.755 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.636 -5.261 3.463 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.336 -4.502 1.911 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.382 -7.989 3.302 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.514 -5.378 0.133 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -2.510 -9.853 2.172 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.645 -7.241 -1.001 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.647 -9.484 0.018 1.00 0.00 H new ATOM 1325 N ARG A 89 1.764 -3.817 1.950 1.00 0.00 N ATOM 1326 CA ARG A 89 2.478 -2.553 2.079 1.00 0.00 C ATOM 1327 C ARG A 89 2.170 -1.632 0.902 1.00 0.00 C ATOM 1328 O ARG A 89 2.626 -1.864 -0.218 1.00 0.00 O ATOM 1329 CB ARG A 89 3.985 -2.801 2.166 1.00 0.00 C ATOM 1330 CG ARG A 89 4.391 -3.683 3.335 1.00 0.00 C ATOM 1331 CD ARG A 89 5.896 -3.659 3.555 1.00 0.00 C ATOM 1332 NE ARG A 89 6.363 -4.842 4.272 1.00 0.00 N ATOM 1333 CZ ARG A 89 6.602 -6.010 3.686 1.00 0.00 C ATOM 1334 NH1 ARG A 89 6.420 -6.150 2.380 1.00 0.00 N ATOM 1335 NH2 ARG A 89 7.026 -7.040 4.406 1.00 0.00 N ATOM 0 H ARG A 89 1.890 -4.283 1.051 1.00 0.00 H new ATOM 0 HA ARG A 89 2.143 -2.067 2.995 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.323 -3.264 1.239 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.498 -1.843 2.249 1.00 0.00 H new ATOM 0 HG2 ARG A 89 3.885 -3.346 4.239 1.00 0.00 H new ATOM 0 HG3 ARG A 89 4.066 -4.707 3.150 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.402 -3.596 2.592 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.166 -2.765 4.117 1.00 0.00 H new ATOM 0 HE ARG A 89 6.514 -4.768 5.278 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.096 -5.360 1.823 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.604 -7.048 1.933 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.169 -6.936 5.411 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.209 -7.936 3.955 1.00 0.00 H new ATOM 1349 N VAL A 90 1.392 -0.586 1.164 1.00 0.00 N ATOM 1350 CA VAL A 90 1.023 0.370 0.127 1.00 0.00 C ATOM 1351 C VAL A 90 1.978 1.559 0.110 1.00 0.00 C ATOM 1352 O VAL A 90 2.425 2.023 1.159 1.00 0.00 O ATOM 1353 CB VAL A 90 -0.415 0.885 0.324 1.00 0.00 C ATOM 1354 CG1 VAL A 90 -0.778 1.887 -0.761 1.00 0.00 C ATOM 1355 CG2 VAL A 90 -1.398 -0.276 0.338 1.00 0.00 C ATOM 0 H VAL A 90 1.005 -0.380 2.085 1.00 0.00 H new ATOM 0 HA VAL A 90 1.086 -0.157 -0.825 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.472 1.393 1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.798 2.239 -0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.092 2.733 -0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.705 1.408 -1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.409 0.105 0.478 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.341 -0.813 -0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.149 -0.953 1.155 1.00 0.00 H new ATOM 1365 N ARG A 91 2.287 2.046 -1.087 1.00 0.00 N ATOM 1366 CA ARG A 91 3.190 3.181 -1.240 1.00 0.00 C ATOM 1367 C ARG A 91 2.628 4.192 -2.235 1.00 0.00 C ATOM 1368 O ARG A 91 1.739 3.873 -3.024 1.00 0.00 O ATOM 1369 CB ARG A 91 4.567 2.704 -1.704 1.00 0.00 C ATOM 1370 CG ARG A 91 5.065 1.471 -0.967 1.00 0.00 C ATOM 1371 CD ARG A 91 6.584 1.416 -0.936 1.00 0.00 C ATOM 1372 NE ARG A 91 7.075 0.135 -0.435 1.00 0.00 N ATOM 1373 CZ ARG A 91 8.312 -0.307 -0.635 1.00 0.00 C ATOM 1374 NH1 ARG A 91 9.178 0.425 -1.322 1.00 0.00 N ATOM 1375 NH2 ARG A 91 8.684 -1.484 -0.148 1.00 0.00 N ATOM 0 H ARG A 91 1.926 1.673 -1.965 1.00 0.00 H new ATOM 0 HA ARG A 91 3.289 3.668 -0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.526 2.487 -2.771 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.286 3.512 -1.570 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.679 1.475 0.052 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.677 0.575 -1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.973 1.586 -1.940 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.963 2.221 -0.306 1.00 0.00 H new ATOM 0 HE ARG A 91 6.433 -0.452 0.097 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.895 1.330 -1.698 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.127 0.083 -1.474 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.020 -2.050 0.380 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.634 -1.823 -0.302 1.00 0.00 H new ATOM 1389 N ALA A 92 3.153 5.412 -2.192 1.00 0.00 N ATOM 1390 CA ALA A 92 2.706 6.469 -3.090 1.00 0.00 C ATOM 1391 C ALA A 92 3.885 7.111 -3.812 1.00 0.00 C ATOM 1392 O ALA A 92 4.842 7.558 -3.181 1.00 0.00 O ATOM 1393 CB ALA A 92 1.921 7.520 -2.318 1.00 0.00 C ATOM 0 H ALA A 92 3.889 5.693 -1.544 1.00 0.00 H new ATOM 0 HA ALA A 92 2.054 6.023 -3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.593 8.304 -3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.051 7.056 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.556 7.954 -1.546 1.00 0.00 H new ATOM 1399 N GLN A 93 3.810 7.152 -5.139 1.00 0.00 N ATOM 1400 CA GLN A 93 4.872 7.739 -5.946 1.00 0.00 C ATOM 1401 C GLN A 93 4.489 9.137 -6.418 1.00 0.00 C ATOM 1402 O GLN A 93 3.358 9.370 -6.847 1.00 0.00 O ATOM 1403 CB GLN A 93 5.178 6.847 -7.151 1.00 0.00 C ATOM 1404 CG GLN A 93 6.196 7.446 -8.108 1.00 0.00 C ATOM 1405 CD GLN A 93 6.113 6.845 -9.498 1.00 0.00 C ATOM 1406 OE1 GLN A 93 5.951 7.560 -10.487 1.00 0.00 O ATOM 1407 NE2 GLN A 93 6.224 5.524 -9.580 1.00 0.00 N ATOM 0 H GLN A 93 3.025 6.786 -5.677 1.00 0.00 H new ATOM 0 HA GLN A 93 5.764 7.818 -5.325 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.548 5.885 -6.796 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.253 6.653 -7.693 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.040 8.523 -8.172 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.199 7.293 -7.709 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.357 4.970 -8.734 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.176 5.064 -10.489 1.00 0.00 H new ATOM 1416 N SER A 94 5.437 10.065 -6.336 1.00 0.00 N ATOM 1417 CA SER A 94 5.196 11.442 -6.751 1.00 0.00 C ATOM 1418 C SER A 94 6.400 12.000 -7.505 1.00 0.00 C ATOM 1419 O SER A 94 7.468 11.390 -7.527 1.00 0.00 O ATOM 1420 CB SER A 94 4.891 12.318 -5.535 1.00 0.00 C ATOM 1421 OG SER A 94 6.069 12.593 -4.796 1.00 0.00 O ATOM 0 H SER A 94 6.379 9.888 -5.986 1.00 0.00 H new ATOM 0 HA SER A 94 4.335 11.449 -7.419 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.436 13.253 -5.862 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.165 11.817 -4.895 1.00 0.00 H new ATOM 0 HG SER A 94 6.548 11.756 -4.620 1.00 0.00 H new ATOM 1427 N GLN A 95 6.217 13.164 -8.121 1.00 0.00 N ATOM 1428 CA GLN A 95 7.287 13.804 -8.877 1.00 0.00 C ATOM 1429 C GLN A 95 8.637 13.583 -8.202 1.00 0.00 C ATOM 1430 O GLN A 95 9.643 13.346 -8.870 1.00 0.00 O ATOM 1431 CB GLN A 95 7.014 15.302 -9.019 1.00 0.00 C ATOM 1432 CG GLN A 95 7.688 15.932 -10.227 1.00 0.00 C ATOM 1433 CD GLN A 95 6.916 17.117 -10.774 1.00 0.00 C ATOM 1434 OE1 GLN A 95 6.119 17.734 -10.067 1.00 0.00 O ATOM 1435 NE2 GLN A 95 7.150 17.442 -12.041 1.00 0.00 N ATOM 0 H GLN A 95 5.339 13.682 -8.111 1.00 0.00 H new ATOM 0 HA GLN A 95 7.318 13.352 -9.868 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.938 15.462 -9.090 1.00 0.00 H new ATOM 0 HB3 GLN A 95 7.353 15.812 -8.117 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.692 16.253 -9.951 1.00 0.00 H new ATOM 0 HG3 GLN A 95 7.797 15.182 -11.010 1.00 0.00 H new ATOM 0 HE21 GLN A 95 7.819 16.903 -12.591 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.660 18.231 -12.464 1.00 0.00 H new ATOM 1444 N GLU A 96 8.651 13.664 -6.876 1.00 0.00 N ATOM 1445 CA GLU A 96 9.878 13.474 -6.112 1.00 0.00 C ATOM 1446 C GLU A 96 10.280 12.002 -6.086 1.00 0.00 C ATOM 1447 O GLU A 96 11.359 11.634 -6.547 1.00 0.00 O ATOM 1448 CB GLU A 96 9.701 13.991 -4.683 1.00 0.00 C ATOM 1449 CG GLU A 96 9.832 15.500 -4.561 1.00 0.00 C ATOM 1450 CD GLU A 96 11.158 16.015 -5.086 1.00 0.00 C ATOM 1451 OE1 GLU A 96 11.292 16.156 -6.319 1.00 0.00 O ATOM 1452 OE2 GLU A 96 12.061 16.276 -4.264 1.00 0.00 O ATOM 0 H GLU A 96 7.827 13.860 -6.308 1.00 0.00 H new ATOM 0 HA GLU A 96 10.671 14.041 -6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.720 13.689 -4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.442 13.517 -4.040 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.019 15.977 -5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.724 15.787 -3.515 1.00 0.00 H new ATOM 1459 N GLY A 97 9.403 11.164 -5.541 1.00 0.00 N ATOM 1460 CA GLY A 97 9.684 9.743 -5.463 1.00 0.00 C ATOM 1461 C GLY A 97 8.838 9.040 -4.420 1.00 0.00 C ATOM 1462 O GLY A 97 8.021 9.670 -3.748 1.00 0.00 O ATOM 0 H GLY A 97 8.503 11.445 -5.152 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.507 9.287 -6.437 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.739 9.597 -5.229 1.00 0.00 H new ATOM 1466 N TRP A 98 9.031 7.733 -4.286 1.00 0.00 N ATOM 1467 CA TRP A 98 8.277 6.944 -3.318 1.00 0.00 C ATOM 1468 C TRP A 98 8.597 7.381 -1.893 1.00 0.00 C ATOM 1469 O TRP A 98 9.725 7.229 -1.425 1.00 0.00 O ATOM 1470 CB TRP A 98 8.587 5.457 -3.491 1.00 0.00 C ATOM 1471 CG TRP A 98 8.148 4.908 -4.814 1.00 0.00 C ATOM 1472 CD1 TRP A 98 8.874 4.879 -5.971 1.00 0.00 C ATOM 1473 CD2 TRP A 98 6.882 4.312 -5.118 1.00 0.00 C ATOM 1474 NE1 TRP A 98 8.135 4.300 -6.975 1.00 0.00 N ATOM 1475 CE2 TRP A 98 6.910 3.943 -6.477 1.00 0.00 C ATOM 1476 CE3 TRP A 98 5.729 4.051 -4.373 1.00 0.00 C ATOM 1477 CZ2 TRP A 98 5.829 3.330 -7.104 1.00 0.00 C ATOM 1478 CZ3 TRP A 98 4.656 3.443 -4.997 1.00 0.00 C ATOM 1479 CH2 TRP A 98 4.712 3.087 -6.351 1.00 0.00 C ATOM 0 H TRP A 98 9.703 7.197 -4.835 1.00 0.00 H new ATOM 0 HA TRP A 98 7.215 7.110 -3.499 1.00 0.00 H new ATOM 0 HB2 TRP A 98 9.660 5.302 -3.380 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.099 4.897 -2.693 1.00 0.00 H new ATOM 0 HD1 TRP A 98 9.880 5.256 -6.081 1.00 0.00 H new ATOM 0 HE1 TRP A 98 8.448 4.159 -7.935 1.00 0.00 H new ATOM 0 HE3 TRP A 98 5.677 4.320 -3.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 5.870 3.056 -8.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 3.759 3.239 -4.431 1.00 0.00 H new ATOM 0 HH2 TRP A 98 3.857 2.612 -6.809 1.00 0.00 H new ATOM 1490 N GLY A 99 7.597 7.925 -1.206 1.00 0.00 N ATOM 1491 CA GLY A 99 7.793 8.375 0.159 1.00 0.00 C ATOM 1492 C GLY A 99 7.811 7.228 1.151 1.00 0.00 C ATOM 1493 O GLY A 99 8.717 6.395 1.130 1.00 0.00 O ATOM 0 H GLY A 99 6.654 8.062 -1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.732 8.924 0.226 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.998 9.070 0.427 1.00 0.00 H new ATOM 1497 N ARG A 100 6.809 7.186 2.023 1.00 0.00 N ATOM 1498 CA ARG A 100 6.716 6.134 3.028 1.00 0.00 C ATOM 1499 C ARG A 100 5.608 5.145 2.679 1.00 0.00 C ATOM 1500 O ARG A 100 4.838 5.365 1.745 1.00 0.00 O ATOM 1501 CB ARG A 100 6.456 6.741 4.408 1.00 0.00 C ATOM 1502 CG ARG A 100 7.707 7.283 5.081 1.00 0.00 C ATOM 1503 CD ARG A 100 8.624 6.160 5.539 1.00 0.00 C ATOM 1504 NE ARG A 100 9.612 6.622 6.510 1.00 0.00 N ATOM 1505 CZ ARG A 100 10.339 5.806 7.265 1.00 0.00 C ATOM 1506 NH1 ARG A 100 10.189 4.492 7.161 1.00 0.00 N ATOM 1507 NH2 ARG A 100 11.219 6.303 8.125 1.00 0.00 N ATOM 0 H ARG A 100 6.051 7.868 2.054 1.00 0.00 H new ATOM 0 HA ARG A 100 7.665 5.598 3.046 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.728 7.547 4.310 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.008 5.983 5.050 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.242 7.932 4.388 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.425 7.896 5.937 1.00 0.00 H new ATOM 0 HD2 ARG A 100 8.027 5.362 5.981 1.00 0.00 H new ATOM 0 HD3 ARG A 100 9.136 5.735 4.676 1.00 0.00 H new ATOM 0 HE ARG A 100 9.752 7.627 6.614 1.00 0.00 H new ATOM 0 HH11 ARG A 100 9.514 4.106 6.500 1.00 0.00 H new ATOM 0 HH12 ARG A 100 10.748 3.867 7.742 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.338 7.313 8.207 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.777 5.675 8.704 1.00 0.00 H new ATOM 1521 N GLU A 101 5.535 4.054 3.436 1.00 0.00 N ATOM 1522 CA GLU A 101 4.522 3.031 3.205 1.00 0.00 C ATOM 1523 C GLU A 101 3.932 2.542 4.525 1.00 0.00 C ATOM 1524 O GLU A 101 4.566 2.641 5.575 1.00 0.00 O ATOM 1525 CB GLU A 101 5.122 1.853 2.435 1.00 0.00 C ATOM 1526 CG GLU A 101 5.956 0.922 3.299 1.00 0.00 C ATOM 1527 CD GLU A 101 5.110 0.082 4.236 1.00 0.00 C ATOM 1528 OE1 GLU A 101 4.007 -0.336 3.826 1.00 0.00 O ATOM 1529 OE2 GLU A 101 5.552 -0.157 5.379 1.00 0.00 O ATOM 0 H GLU A 101 6.165 3.856 4.214 1.00 0.00 H new ATOM 0 HA GLU A 101 3.723 3.475 2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.315 1.282 1.975 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.743 2.237 1.626 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.542 0.265 2.657 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.663 1.511 3.883 1.00 0.00 H new ATOM 1536 N ARG A 102 2.713 2.015 4.462 1.00 0.00 N ATOM 1537 CA ARG A 102 2.036 1.512 5.650 1.00 0.00 C ATOM 1538 C ARG A 102 1.874 -0.003 5.584 1.00 0.00 C ATOM 1539 O ARG A 102 1.595 -0.561 4.523 1.00 0.00 O ATOM 1540 CB ARG A 102 0.666 2.176 5.802 1.00 0.00 C ATOM 1541 CG ARG A 102 -0.131 1.664 6.991 1.00 0.00 C ATOM 1542 CD ARG A 102 0.180 2.455 8.252 1.00 0.00 C ATOM 1543 NE ARG A 102 1.299 1.882 8.996 1.00 0.00 N ATOM 1544 CZ ARG A 102 1.504 2.090 10.292 1.00 0.00 C ATOM 1545 NH1 ARG A 102 0.670 2.854 10.984 1.00 0.00 N ATOM 1546 NH2 ARG A 102 2.545 1.533 10.898 1.00 0.00 N ATOM 0 H ARG A 102 2.175 1.926 3.600 1.00 0.00 H new ATOM 0 HA ARG A 102 2.649 1.757 6.517 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.803 3.253 5.904 1.00 0.00 H new ATOM 0 HB3 ARG A 102 0.089 2.013 4.891 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.197 1.731 6.772 1.00 0.00 H new ATOM 0 HG3 ARG A 102 0.095 0.611 7.156 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.412 3.486 7.985 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.703 2.482 8.890 1.00 0.00 H new ATOM 0 HE ARG A 102 1.959 1.290 8.493 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -0.131 3.284 10.521 1.00 0.00 H new ATOM 0 HH12 ARG A 102 0.830 3.012 11.979 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.188 0.945 10.369 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.702 1.693 11.893 1.00 0.00 H new ATOM 1560 N GLU A 103 2.051 -0.663 6.724 1.00 0.00 N ATOM 1561 CA GLU A 103 1.926 -2.114 6.794 1.00 0.00 C ATOM 1562 C GLU A 103 0.510 -2.519 7.195 1.00 0.00 C ATOM 1563 O GLU A 103 -0.083 -1.932 8.099 1.00 0.00 O ATOM 1564 CB GLU A 103 2.934 -2.688 7.791 1.00 0.00 C ATOM 1565 CG GLU A 103 3.276 -4.147 7.539 1.00 0.00 C ATOM 1566 CD GLU A 103 3.985 -4.792 8.715 1.00 0.00 C ATOM 1567 OE1 GLU A 103 3.470 -4.685 9.848 1.00 0.00 O ATOM 1568 OE2 GLU A 103 5.053 -5.402 8.502 1.00 0.00 O ATOM 0 H GLU A 103 2.281 -0.216 7.611 1.00 0.00 H new ATOM 0 HA GLU A 103 2.135 -2.519 5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.849 -2.097 7.751 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.533 -2.586 8.799 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.361 -4.699 7.324 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.908 -4.221 6.654 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.025 -3.529 6.515 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.367 -3.995 6.814 1.00 0.00 C ATOM 1577 C GLY A 104 -1.511 -5.494 6.642 1.00 0.00 C ATOM 1578 O GLY A 104 -1.832 -5.974 5.554 1.00 0.00 O ATOM 0 H GLY A 104 0.446 -4.032 5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.623 -3.724 7.838 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.078 -3.487 6.162 1.00 0.00 H new ATOM 1582 N VAL A 105 -1.272 -6.238 7.717 1.00 0.00 N ATOM 1583 CA VAL A 105 -1.376 -7.692 7.680 1.00 0.00 C ATOM 1584 C VAL A 105 -2.834 -8.138 7.685 1.00 0.00 C ATOM 1585 O VAL A 105 -3.672 -7.548 8.368 1.00 0.00 O ATOM 1586 CB VAL A 105 -0.649 -8.337 8.875 1.00 0.00 C ATOM 1587 CG1 VAL A 105 -1.107 -7.708 10.182 1.00 0.00 C ATOM 1588 CG2 VAL A 105 -0.879 -9.841 8.888 1.00 0.00 C ATOM 0 H VAL A 105 -1.005 -5.858 8.625 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.901 -8.021 6.755 1.00 0.00 H new ATOM 0 HB VAL A 105 0.421 -8.156 8.769 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.582 -8.177 11.015 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.887 -6.641 10.169 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.180 -7.856 10.300 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.359 -10.281 9.739 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.947 -10.045 8.970 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.497 -10.276 7.964 1.00 0.00 H new ATOM 1598 N ILE A 106 -3.129 -9.183 6.920 1.00 0.00 N ATOM 1599 CA ILE A 106 -4.486 -9.710 6.837 1.00 0.00 C ATOM 1600 C ILE A 106 -4.500 -11.224 7.020 1.00 0.00 C ATOM 1601 O ILE A 106 -3.550 -11.914 6.650 1.00 0.00 O ATOM 1602 CB ILE A 106 -5.144 -9.361 5.489 1.00 0.00 C ATOM 1603 CG1 ILE A 106 -6.618 -9.773 5.495 1.00 0.00 C ATOM 1604 CG2 ILE A 106 -4.404 -10.040 4.347 1.00 0.00 C ATOM 1605 CD1 ILE A 106 -7.500 -8.849 6.306 1.00 0.00 C ATOM 0 H ILE A 106 -2.447 -9.682 6.349 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.055 -9.244 7.641 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.088 -8.282 5.342 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -6.983 -9.802 4.468 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.703 -10.784 5.892 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.881 -9.784 3.401 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.367 -9.703 4.334 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.432 -11.121 4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.531 -9.202 6.266 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -7.160 -8.838 7.342 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.445 -7.841 5.896 1.00 0.00 H new ATOM 1617 N THR A 107 -5.585 -11.735 7.593 1.00 0.00 N ATOM 1618 CA THR A 107 -5.725 -13.167 7.825 1.00 0.00 C ATOM 1619 C THR A 107 -6.967 -13.718 7.134 1.00 0.00 C ATOM 1620 O THR A 107 -8.093 -13.400 7.517 1.00 0.00 O ATOM 1621 CB THR A 107 -5.803 -13.487 9.330 1.00 0.00 C ATOM 1622 OG1 THR A 107 -4.606 -13.056 9.986 1.00 0.00 O ATOM 1623 CG2 THR A 107 -6.002 -14.979 9.556 1.00 0.00 C ATOM 0 H THR A 107 -6.380 -11.178 7.905 1.00 0.00 H new ATOM 0 HA THR A 107 -4.839 -13.643 7.405 1.00 0.00 H new ATOM 0 HB THR A 107 -6.657 -12.954 9.748 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.665 -13.262 10.942 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.054 -15.181 10.626 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.929 -15.298 9.081 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.165 -15.527 9.124 1.00 0.00 H new ATOM 1631 N ILE A 108 -6.754 -14.545 6.116 1.00 0.00 N ATOM 1632 CA ILE A 108 -7.858 -15.141 5.374 1.00 0.00 C ATOM 1633 C ILE A 108 -8.666 -16.086 6.255 1.00 0.00 C ATOM 1634 O ILE A 108 -8.195 -17.162 6.624 1.00 0.00 O ATOM 1635 CB ILE A 108 -7.354 -15.913 4.140 1.00 0.00 C ATOM 1636 CG1 ILE A 108 -6.558 -14.984 3.220 1.00 0.00 C ATOM 1637 CG2 ILE A 108 -8.523 -16.535 3.390 1.00 0.00 C ATOM 1638 CD1 ILE A 108 -7.366 -13.821 2.690 1.00 0.00 C ATOM 0 H ILE A 108 -5.828 -14.817 5.786 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.496 -14.321 5.045 1.00 0.00 H new ATOM 0 HB ILE A 108 -6.695 -16.714 4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -5.696 -14.599 3.764 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -6.173 -15.561 2.379 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -8.151 -17.077 2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.052 -17.224 4.048 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.205 -15.750 3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.738 -13.205 2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.214 -14.198 2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -7.729 -13.220 3.524 1.00 0.00 H new ATOM 1650 N GLU A 109 -9.887 -15.678 6.588 1.00 0.00 N ATOM 1651 CA GLU A 109 -10.762 -16.489 7.426 1.00 0.00 C ATOM 1652 C GLU A 109 -12.010 -16.915 6.658 1.00 0.00 C ATOM 1653 O GLU A 109 -12.940 -16.129 6.480 1.00 0.00 O ATOM 1654 CB GLU A 109 -11.162 -15.715 8.683 1.00 0.00 C ATOM 1655 CG GLU A 109 -10.061 -15.637 9.727 1.00 0.00 C ATOM 1656 CD GLU A 109 -10.249 -14.480 10.688 1.00 0.00 C ATOM 1657 OE1 GLU A 109 -10.680 -13.398 10.236 1.00 0.00 O ATOM 1658 OE2 GLU A 109 -9.964 -14.655 11.891 1.00 0.00 O ATOM 0 H GLU A 109 -10.292 -14.791 6.290 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.214 -17.385 7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.454 -14.704 8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.039 -16.187 9.126 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.032 -16.570 10.289 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -9.098 -15.536 9.227 1.00 0.00 H new