USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=17 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= 0.728 USER MOD Set 1.2: A 107 THR OG1 : rot -54:sc= 0.83 USER MOD Set 2.1: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 63 HIS : no HD1:sc= -0.589 K(o=-0.59,f=-1.5) USER MOD Set 3.1: A 22 THR OG1 : rot 180:sc= 0.00599 USER MOD Set 3.2: A 39 GLN : amide:sc= 0 X(o=0.006,f=-0.019) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.053 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= -0.252 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot -102:sc= -0.527 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot -165:sc= -3.18 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.75 K(o=-1.8,f=-0.61) USER MOD Single : A 58 ASN : amide:sc= -1.66 X(o=-1.7,f=-2.1) USER MOD Single : A 66 ASN : amide:sc= -0.0083 K(o=-0.0083,f=-1.5) USER MOD Single : A 69 ASN : amide:sc= -0.231 K(o=-0.23,f=-2.1) USER MOD Single : A 72 GLN : amide:sc= 0.64 K(o=0.64,f=-0.37) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -1.69! K(o=-1.7!,f=-0.11) USER MOD Single : A 84 HIS : no HE2:sc= 0.883 K(o=0.88,f=-7!) USER MOD Single : A 86 TYR OH : rot 0:sc= -0.078 USER MOD Single : A 93 GLN : amide:sc= -0.649 K(o=-0.65,f=-3.4!) USER MOD Single : A 94 SER OG : rot 154:sc= -0.809 USER MOD Single : A 95 GLN : amide:sc= -2.32! C(o=-2.3!,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 184 N GLY A 16 9.460 16.901 -1.336 1.00 0.00 N ATOM 185 CA GLY A 16 8.286 16.769 -2.180 1.00 0.00 C ATOM 186 C GLY A 16 7.848 15.327 -2.343 1.00 0.00 C ATOM 187 O GLY A 16 7.386 14.929 -3.413 1.00 0.00 O ATOM 0 HA2 GLY A 16 7.468 17.348 -1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.498 17.194 -3.161 1.00 0.00 H new ATOM 191 N VAL A 17 7.994 14.542 -1.281 1.00 0.00 N ATOM 192 CA VAL A 17 7.610 13.136 -1.311 1.00 0.00 C ATOM 193 C VAL A 17 6.295 12.909 -0.574 1.00 0.00 C ATOM 194 O VAL A 17 5.957 13.615 0.376 1.00 0.00 O ATOM 195 CB VAL A 17 8.698 12.243 -0.684 1.00 0.00 C ATOM 196 CG1 VAL A 17 9.871 12.082 -1.639 1.00 0.00 C ATOM 197 CG2 VAL A 17 9.158 12.820 0.646 1.00 0.00 C ATOM 0 H VAL A 17 8.376 14.856 -0.389 1.00 0.00 H new ATOM 0 HA VAL A 17 7.487 12.864 -2.359 1.00 0.00 H new ATOM 0 HB VAL A 17 8.273 11.257 -0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.630 11.448 -1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.526 11.622 -2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.299 13.060 -1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.926 12.177 1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.567 13.818 0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.311 12.879 1.329 1.00 0.00 H new ATOM 207 N PRO A 18 5.533 11.899 -1.020 1.00 0.00 N ATOM 208 CA PRO A 18 4.243 11.554 -0.416 1.00 0.00 C ATOM 209 C PRO A 18 4.397 10.953 0.977 1.00 0.00 C ATOM 210 O PRO A 18 4.955 9.867 1.137 1.00 0.00 O ATOM 211 CB PRO A 18 3.663 10.519 -1.383 1.00 0.00 C ATOM 212 CG PRO A 18 4.852 9.916 -2.049 1.00 0.00 C ATOM 213 CD PRO A 18 5.874 11.015 -2.147 1.00 0.00 C ATOM 0 HA PRO A 18 3.610 12.431 -0.279 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.081 9.765 -0.853 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.996 10.985 -2.109 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.237 9.075 -1.473 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.594 9.534 -3.037 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.889 10.628 -2.061 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.811 11.538 -3.101 1.00 0.00 H new ATOM 221 N ASP A 19 3.899 11.665 1.982 1.00 0.00 N ATOM 222 CA ASP A 19 3.980 11.200 3.362 1.00 0.00 C ATOM 223 C ASP A 19 3.360 9.814 3.507 1.00 0.00 C ATOM 224 O ASP A 19 2.622 9.358 2.632 1.00 0.00 O ATOM 225 CB ASP A 19 3.279 12.187 4.297 1.00 0.00 C ATOM 226 CG ASP A 19 3.813 12.121 5.714 1.00 0.00 C ATOM 227 OD1 ASP A 19 5.043 12.245 5.892 1.00 0.00 O ATOM 228 OD2 ASP A 19 3.000 11.947 6.646 1.00 0.00 O ATOM 0 H ASP A 19 3.435 12.566 1.867 1.00 0.00 H new ATOM 0 HA ASP A 19 5.033 11.137 3.636 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.404 13.199 3.912 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.209 11.978 4.305 1.00 0.00 H new ATOM 233 N THR A 20 3.664 9.148 4.616 1.00 0.00 N ATOM 234 CA THR A 20 3.138 7.813 4.874 1.00 0.00 C ATOM 235 C THR A 20 1.622 7.780 4.719 1.00 0.00 C ATOM 236 O THR A 20 0.900 8.614 5.265 1.00 0.00 O ATOM 237 CB THR A 20 3.510 7.327 6.287 1.00 0.00 C ATOM 238 OG1 THR A 20 4.783 7.859 6.670 1.00 0.00 O ATOM 239 CG2 THR A 20 3.553 5.807 6.343 1.00 0.00 C ATOM 0 H THR A 20 4.272 9.511 5.350 1.00 0.00 H new ATOM 0 HA THR A 20 3.589 7.147 4.139 1.00 0.00 H new ATOM 0 HB THR A 20 2.746 7.679 6.980 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.011 7.546 7.570 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.818 5.487 7.351 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.574 5.405 6.080 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.298 5.438 5.638 1.00 0.00 H new ATOM 247 N PRO A 21 1.126 6.793 3.958 1.00 0.00 N ATOM 248 CA PRO A 21 -0.311 6.627 3.716 1.00 0.00 C ATOM 249 C PRO A 21 -1.061 6.175 4.964 1.00 0.00 C ATOM 250 O PRO A 21 -0.503 5.493 5.824 1.00 0.00 O ATOM 251 CB PRO A 21 -0.365 5.543 2.637 1.00 0.00 C ATOM 252 CG PRO A 21 0.898 4.772 2.811 1.00 0.00 C ATOM 253 CD PRO A 21 1.928 5.763 3.277 1.00 0.00 C ATOM 0 HA PRO A 21 -0.786 7.563 3.423 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.239 4.904 2.761 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.428 5.979 1.640 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.769 3.972 3.540 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.202 4.305 1.874 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.650 5.304 3.952 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.492 6.179 2.442 1.00 0.00 H new ATOM 261 N THR A 22 -2.330 6.560 5.057 1.00 0.00 N ATOM 262 CA THR A 22 -3.157 6.194 6.200 1.00 0.00 C ATOM 263 C THR A 22 -3.447 4.698 6.214 1.00 0.00 C ATOM 264 O THR A 22 -3.092 3.979 5.279 1.00 0.00 O ATOM 265 CB THR A 22 -4.491 6.964 6.198 1.00 0.00 C ATOM 266 OG1 THR A 22 -4.292 8.287 5.687 1.00 0.00 O ATOM 267 CG2 THR A 22 -5.076 7.039 7.600 1.00 0.00 C ATOM 0 H THR A 22 -2.807 7.125 4.355 1.00 0.00 H new ATOM 0 HA THR A 22 -2.594 6.460 7.094 1.00 0.00 H new ATOM 0 HB THR A 22 -5.192 6.429 5.558 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.145 8.770 5.687 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.018 7.587 7.573 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.254 6.031 7.974 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.376 7.553 8.259 1.00 0.00 H new ATOM 275 N ARG A 23 -4.095 4.235 7.278 1.00 0.00 N ATOM 276 CA ARG A 23 -4.432 2.823 7.412 1.00 0.00 C ATOM 277 C ARG A 23 -5.079 2.294 6.135 1.00 0.00 C ATOM 278 O ARG A 23 -5.581 3.065 5.315 1.00 0.00 O ATOM 279 CB ARG A 23 -5.375 2.612 8.598 1.00 0.00 C ATOM 280 CG ARG A 23 -6.737 3.261 8.416 1.00 0.00 C ATOM 281 CD ARG A 23 -7.725 2.309 7.761 1.00 0.00 C ATOM 282 NE ARG A 23 -8.167 1.262 8.678 1.00 0.00 N ATOM 283 CZ ARG A 23 -8.996 1.477 9.694 1.00 0.00 C ATOM 284 NH1 ARG A 23 -9.471 2.694 9.920 1.00 0.00 N ATOM 285 NH2 ARG A 23 -9.352 0.473 10.485 1.00 0.00 N ATOM 0 H ARG A 23 -4.397 4.817 8.059 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.509 2.271 7.587 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.510 1.542 8.758 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.908 3.012 9.498 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.123 3.577 9.385 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.635 4.158 7.805 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.590 2.871 7.408 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.263 1.853 6.886 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.821 0.314 8.531 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.200 3.468 9.313 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.107 2.856 10.701 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.989 -0.465 10.313 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.988 0.639 11.265 1.00 0.00 H new ATOM 299 N LEU A 24 -5.062 0.976 5.971 1.00 0.00 N ATOM 300 CA LEU A 24 -5.646 0.344 4.794 1.00 0.00 C ATOM 301 C LEU A 24 -6.982 -0.310 5.133 1.00 0.00 C ATOM 302 O LEU A 24 -7.293 -0.542 6.301 1.00 0.00 O ATOM 303 CB LEU A 24 -4.686 -0.700 4.222 1.00 0.00 C ATOM 304 CG LEU A 24 -3.196 -0.427 4.432 1.00 0.00 C ATOM 305 CD1 LEU A 24 -2.360 -1.571 3.876 1.00 0.00 C ATOM 306 CD2 LEU A 24 -2.798 0.890 3.783 1.00 0.00 C ATOM 0 H LEU A 24 -4.650 0.324 6.639 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.820 1.118 4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.924 -1.666 4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.872 -0.788 3.152 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.008 -0.353 5.503 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.303 -1.359 4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.625 -2.497 4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.553 -1.677 2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.734 1.068 3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.002 0.845 2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.372 1.703 4.227 1.00 0.00 H new ATOM 318 N VAL A 25 -7.768 -0.607 4.103 1.00 0.00 N ATOM 319 CA VAL A 25 -9.070 -1.237 4.291 1.00 0.00 C ATOM 320 C VAL A 25 -9.208 -2.482 3.421 1.00 0.00 C ATOM 321 O VAL A 25 -9.253 -2.393 2.194 1.00 0.00 O ATOM 322 CB VAL A 25 -10.217 -0.264 3.962 1.00 0.00 C ATOM 323 CG1 VAL A 25 -11.541 -1.008 3.880 1.00 0.00 C ATOM 324 CG2 VAL A 25 -10.285 0.849 4.997 1.00 0.00 C ATOM 0 H VAL A 25 -7.526 -0.422 3.130 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.136 -1.522 5.341 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.020 0.187 2.989 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.340 -0.304 3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.485 -1.765 3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.748 -1.488 4.836 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.101 1.527 4.749 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.458 0.419 5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.344 1.400 5.001 1.00 0.00 H new ATOM 334 N PHE A 26 -9.276 -3.642 4.065 1.00 0.00 N ATOM 335 CA PHE A 26 -9.409 -4.906 3.351 1.00 0.00 C ATOM 336 C PHE A 26 -10.867 -5.354 3.305 1.00 0.00 C ATOM 337 O PHE A 26 -11.585 -5.270 4.302 1.00 0.00 O ATOM 338 CB PHE A 26 -8.553 -5.986 4.017 1.00 0.00 C ATOM 339 CG PHE A 26 -7.146 -5.544 4.301 1.00 0.00 C ATOM 340 CD1 PHE A 26 -6.858 -4.780 5.421 1.00 0.00 C ATOM 341 CD2 PHE A 26 -6.111 -5.891 3.449 1.00 0.00 C ATOM 342 CE1 PHE A 26 -5.565 -4.372 5.686 1.00 0.00 C ATOM 343 CE2 PHE A 26 -4.815 -5.486 3.709 1.00 0.00 C ATOM 344 CZ PHE A 26 -4.542 -4.725 4.828 1.00 0.00 C ATOM 0 H PHE A 26 -9.241 -3.733 5.080 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.061 -4.755 2.329 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.026 -6.289 4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.526 -6.865 3.374 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.654 -4.500 6.095 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.319 -6.485 2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.354 -3.778 6.563 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.017 -5.765 3.037 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.530 -4.406 5.032 1.00 0.00 H new ATOM 354 N SER A 27 -11.297 -5.830 2.141 1.00 0.00 N ATOM 355 CA SER A 27 -12.670 -6.287 1.963 1.00 0.00 C ATOM 356 C SER A 27 -12.760 -7.804 2.101 1.00 0.00 C ATOM 357 O SER A 27 -13.697 -8.329 2.702 1.00 0.00 O ATOM 358 CB SER A 27 -13.200 -5.856 0.594 1.00 0.00 C ATOM 359 OG SER A 27 -14.601 -6.052 0.505 1.00 0.00 O ATOM 0 H SER A 27 -10.715 -5.909 1.307 1.00 0.00 H new ATOM 0 HA SER A 27 -13.282 -5.832 2.742 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.965 -4.805 0.424 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.699 -6.425 -0.189 1.00 0.00 H new ATOM 0 HG SER A 27 -14.916 -5.768 -0.379 1.00 0.00 H new ATOM 365 N ALA A 28 -11.779 -8.502 1.540 1.00 0.00 N ATOM 366 CA ALA A 28 -11.744 -9.958 1.602 1.00 0.00 C ATOM 367 C ALA A 28 -12.946 -10.566 0.885 1.00 0.00 C ATOM 368 O ALA A 28 -13.653 -11.407 1.442 1.00 0.00 O ATOM 369 CB ALA A 28 -11.699 -10.424 3.049 1.00 0.00 C ATOM 0 H ALA A 28 -10.997 -8.083 1.037 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.841 -10.297 1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.673 -11.513 3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.806 -10.026 3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.585 -10.067 3.574 1.00 0.00 H new ATOM 375 N LEU A 29 -13.171 -10.136 -0.351 1.00 0.00 N ATOM 376 CA LEU A 29 -14.288 -10.638 -1.144 1.00 0.00 C ATOM 377 C LEU A 29 -14.469 -12.138 -0.941 1.00 0.00 C ATOM 378 O LEU A 29 -15.575 -12.664 -1.067 1.00 0.00 O ATOM 379 CB LEU A 29 -14.064 -10.335 -2.626 1.00 0.00 C ATOM 380 CG LEU A 29 -13.914 -8.859 -2.995 1.00 0.00 C ATOM 381 CD1 LEU A 29 -14.692 -7.985 -2.024 1.00 0.00 C ATOM 382 CD2 LEU A 29 -12.445 -8.460 -3.015 1.00 0.00 C ATOM 0 H LEU A 29 -12.595 -9.441 -0.826 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.194 -10.133 -0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.168 -10.863 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -14.901 -10.747 -3.191 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.323 -8.711 -3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.574 -6.938 -2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.748 -8.253 -2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.313 -8.137 -1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.358 -7.406 -3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.010 -8.624 -2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.914 -9.064 -3.751 1.00 0.00 H new ATOM 394 N GLY A 30 -13.375 -12.824 -0.623 1.00 0.00 N ATOM 395 CA GLY A 30 -13.435 -14.257 -0.406 1.00 0.00 C ATOM 396 C GLY A 30 -12.144 -14.811 0.166 1.00 0.00 C ATOM 397 O GLY A 30 -11.273 -14.070 0.619 1.00 0.00 O ATOM 0 H GLY A 30 -12.448 -12.412 -0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.257 -14.485 0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.654 -14.756 -1.350 1.00 0.00 H new ATOM 401 N PRO A 31 -12.010 -16.146 0.150 1.00 0.00 N ATOM 402 CA PRO A 31 -10.821 -16.828 0.668 1.00 0.00 C ATOM 403 C PRO A 31 -9.593 -16.596 -0.206 1.00 0.00 C ATOM 404 O PRO A 31 -8.460 -16.619 0.277 1.00 0.00 O ATOM 405 CB PRO A 31 -11.221 -18.305 0.646 1.00 0.00 C ATOM 406 CG PRO A 31 -12.267 -18.398 -0.411 1.00 0.00 C ATOM 407 CD PRO A 31 -13.009 -17.091 -0.376 1.00 0.00 C ATOM 0 HA PRO A 31 -10.540 -16.463 1.656 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.368 -18.943 0.416 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.607 -18.625 1.614 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.818 -18.566 -1.390 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -12.940 -19.234 -0.221 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -13.356 -16.799 -1.367 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -13.888 -17.145 0.266 1.00 0.00 H new ATOM 415 N THR A 32 -9.824 -16.372 -1.496 1.00 0.00 N ATOM 416 CA THR A 32 -8.736 -16.137 -2.438 1.00 0.00 C ATOM 417 C THR A 32 -8.879 -14.778 -3.114 1.00 0.00 C ATOM 418 O THR A 32 -8.341 -14.554 -4.198 1.00 0.00 O ATOM 419 CB THR A 32 -8.682 -17.232 -3.519 1.00 0.00 C ATOM 420 OG1 THR A 32 -9.986 -17.436 -4.076 1.00 0.00 O ATOM 421 CG2 THR A 32 -8.163 -18.540 -2.939 1.00 0.00 C ATOM 0 H THR A 32 -10.755 -16.348 -1.912 1.00 0.00 H new ATOM 0 HA THR A 32 -7.810 -16.159 -1.863 1.00 0.00 H new ATOM 0 HB THR A 32 -8.000 -16.904 -4.303 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.943 -18.133 -4.764 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.134 -19.299 -3.721 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.159 -18.389 -2.542 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.824 -18.870 -2.138 1.00 0.00 H new ATOM 429 N SER A 33 -9.607 -13.873 -2.466 1.00 0.00 N ATOM 430 CA SER A 33 -9.823 -12.537 -3.007 1.00 0.00 C ATOM 431 C SER A 33 -9.809 -11.492 -1.895 1.00 0.00 C ATOM 432 O SER A 33 -10.220 -11.764 -0.767 1.00 0.00 O ATOM 433 CB SER A 33 -11.152 -12.477 -3.761 1.00 0.00 C ATOM 434 OG SER A 33 -12.148 -13.240 -3.101 1.00 0.00 O ATOM 0 H SER A 33 -10.057 -14.041 -1.566 1.00 0.00 H new ATOM 0 HA SER A 33 -9.011 -12.317 -3.700 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.480 -11.441 -3.845 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.015 -12.851 -4.776 1.00 0.00 H new ATOM 0 HG SER A 33 -12.988 -13.184 -3.602 1.00 0.00 H new ATOM 440 N LEU A 34 -9.332 -10.296 -2.222 1.00 0.00 N ATOM 441 CA LEU A 34 -9.263 -9.208 -1.252 1.00 0.00 C ATOM 442 C LEU A 34 -9.296 -7.853 -1.951 1.00 0.00 C ATOM 443 O LEU A 34 -9.155 -7.769 -3.171 1.00 0.00 O ATOM 444 CB LEU A 34 -7.993 -9.330 -0.409 1.00 0.00 C ATOM 445 CG LEU A 34 -8.119 -10.139 0.882 1.00 0.00 C ATOM 446 CD1 LEU A 34 -6.800 -10.817 1.219 1.00 0.00 C ATOM 447 CD2 LEU A 34 -8.570 -9.246 2.029 1.00 0.00 C ATOM 0 H LEU A 34 -8.987 -10.055 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.133 -9.280 -0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.215 -9.783 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.653 -8.326 -0.153 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.873 -10.912 0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.910 -11.388 2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.518 -11.488 0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.026 -10.061 1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.654 -9.839 2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.840 -8.451 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.539 -8.808 1.790 1.00 0.00 H new ATOM 459 N ARG A 35 -9.480 -6.794 -1.169 1.00 0.00 N ATOM 460 CA ARG A 35 -9.529 -5.442 -1.712 1.00 0.00 C ATOM 461 C ARG A 35 -8.965 -4.434 -0.715 1.00 0.00 C ATOM 462 O ARG A 35 -9.611 -4.100 0.278 1.00 0.00 O ATOM 463 CB ARG A 35 -10.968 -5.067 -2.074 1.00 0.00 C ATOM 464 CG ARG A 35 -11.109 -3.659 -2.627 1.00 0.00 C ATOM 465 CD ARG A 35 -12.551 -3.178 -2.564 1.00 0.00 C ATOM 466 NE ARG A 35 -12.708 -1.843 -3.135 1.00 0.00 N ATOM 467 CZ ARG A 35 -13.831 -1.138 -3.057 1.00 0.00 C ATOM 468 NH1 ARG A 35 -14.890 -1.638 -2.434 1.00 0.00 N ATOM 469 NH2 ARG A 35 -13.896 0.070 -3.601 1.00 0.00 N ATOM 0 H ARG A 35 -9.598 -6.847 -0.157 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.916 -5.417 -2.613 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.345 -5.777 -2.810 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.594 -5.164 -1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.472 -2.979 -2.061 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.761 -3.636 -3.660 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.191 -3.879 -3.100 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.886 -3.170 -1.527 1.00 0.00 H new ATOM 0 HE ARG A 35 -11.912 -1.429 -3.620 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -14.843 -2.566 -2.013 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.751 -1.094 -2.376 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.083 0.458 -4.080 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.759 0.611 -3.541 1.00 0.00 H new ATOM 483 N VAL A 36 -7.756 -3.954 -0.987 1.00 0.00 N ATOM 484 CA VAL A 36 -7.105 -2.984 -0.114 1.00 0.00 C ATOM 485 C VAL A 36 -7.382 -1.558 -0.575 1.00 0.00 C ATOM 486 O VAL A 36 -7.235 -1.235 -1.753 1.00 0.00 O ATOM 487 CB VAL A 36 -5.581 -3.208 -0.064 1.00 0.00 C ATOM 488 CG1 VAL A 36 -4.877 -1.973 0.477 1.00 0.00 C ATOM 489 CG2 VAL A 36 -5.251 -4.432 0.777 1.00 0.00 C ATOM 0 H VAL A 36 -7.207 -4.221 -1.805 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.519 -3.128 0.884 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.223 -3.385 -1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.802 -2.150 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.088 -1.121 -0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.236 -1.761 1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.171 -4.576 0.802 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.621 -4.287 1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.724 -5.312 0.341 1.00 0.00 H new ATOM 499 N SER A 37 -7.784 -0.706 0.364 1.00 0.00 N ATOM 500 CA SER A 37 -8.086 0.686 0.054 1.00 0.00 C ATOM 501 C SER A 37 -7.394 1.624 1.039 1.00 0.00 C ATOM 502 O SER A 37 -7.526 1.473 2.254 1.00 0.00 O ATOM 503 CB SER A 37 -9.597 0.921 0.085 1.00 0.00 C ATOM 504 OG SER A 37 -9.896 2.300 0.224 1.00 0.00 O ATOM 0 H SER A 37 -7.908 -0.956 1.345 1.00 0.00 H new ATOM 0 HA SER A 37 -7.713 0.899 -0.948 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.047 0.539 -0.831 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.038 0.365 0.912 1.00 0.00 H new ATOM 0 HG SER A 37 -10.868 2.424 0.240 1.00 0.00 H new ATOM 510 N TRP A 38 -6.656 2.591 0.506 1.00 0.00 N ATOM 511 CA TRP A 38 -5.942 3.554 1.337 1.00 0.00 C ATOM 512 C TRP A 38 -6.467 4.967 1.106 1.00 0.00 C ATOM 513 O TRP A 38 -7.405 5.171 0.335 1.00 0.00 O ATOM 514 CB TRP A 38 -4.442 3.499 1.043 1.00 0.00 C ATOM 515 CG TRP A 38 -4.119 3.601 -0.417 1.00 0.00 C ATOM 516 CD1 TRP A 38 -3.593 4.681 -1.067 1.00 0.00 C ATOM 517 CD2 TRP A 38 -4.303 2.584 -1.408 1.00 0.00 C ATOM 518 NE1 TRP A 38 -3.439 4.397 -2.402 1.00 0.00 N ATOM 519 CE2 TRP A 38 -3.866 3.116 -2.637 1.00 0.00 C ATOM 520 CE3 TRP A 38 -4.791 1.275 -1.377 1.00 0.00 C ATOM 521 CZ2 TRP A 38 -3.905 2.385 -3.821 1.00 0.00 C ATOM 522 CZ3 TRP A 38 -4.830 0.551 -2.553 1.00 0.00 C ATOM 523 CH2 TRP A 38 -4.389 1.106 -3.761 1.00 0.00 C ATOM 0 H TRP A 38 -6.536 2.729 -0.497 1.00 0.00 H new ATOM 0 HA TRP A 38 -6.110 3.291 2.381 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.945 4.310 1.575 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -4.036 2.566 1.433 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.336 5.620 -0.600 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.067 5.036 -3.105 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -5.132 0.837 -0.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.566 2.812 -4.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -5.207 -0.461 -2.541 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.432 0.513 -4.663 1.00 0.00 H new ATOM 534 N GLN A 39 -5.857 5.937 1.778 1.00 0.00 N ATOM 535 CA GLN A 39 -6.264 7.331 1.645 1.00 0.00 C ATOM 536 C GLN A 39 -5.113 8.188 1.130 1.00 0.00 C ATOM 537 O GLN A 39 -4.127 8.407 1.833 1.00 0.00 O ATOM 538 CB GLN A 39 -6.756 7.871 2.989 1.00 0.00 C ATOM 539 CG GLN A 39 -7.006 9.371 2.988 1.00 0.00 C ATOM 540 CD GLN A 39 -8.059 9.788 3.995 1.00 0.00 C ATOM 541 OE1 GLN A 39 -7.775 9.933 5.184 1.00 0.00 O ATOM 542 NE2 GLN A 39 -9.285 9.984 3.523 1.00 0.00 N ATOM 0 H GLN A 39 -5.079 5.784 2.420 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.079 7.378 0.922 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.678 7.358 3.262 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.020 7.634 3.757 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.073 9.891 3.207 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.318 9.683 1.991 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.476 9.852 2.530 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.035 10.266 4.154 1.00 0.00 H new ATOM 551 N GLU A 40 -5.246 8.670 -0.102 1.00 0.00 N ATOM 552 CA GLU A 40 -4.215 9.503 -0.711 1.00 0.00 C ATOM 553 C GLU A 40 -3.553 10.399 0.332 1.00 0.00 C ATOM 554 O GLU A 40 -4.177 11.291 0.907 1.00 0.00 O ATOM 555 CB GLU A 40 -4.813 10.359 -1.829 1.00 0.00 C ATOM 556 CG GLU A 40 -3.830 11.349 -2.430 1.00 0.00 C ATOM 557 CD GLU A 40 -4.489 12.306 -3.404 1.00 0.00 C ATOM 558 OE1 GLU A 40 -5.463 11.899 -4.071 1.00 0.00 O ATOM 559 OE2 GLU A 40 -4.029 13.464 -3.500 1.00 0.00 O ATOM 0 H GLU A 40 -6.056 8.498 -0.697 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.456 8.845 -1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.184 9.704 -2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.672 10.905 -1.438 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.358 11.919 -1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.038 10.803 -2.942 1.00 0.00 H new ATOM 566 N PRO A 41 -2.257 10.158 0.583 1.00 0.00 N ATOM 567 CA PRO A 41 -1.482 10.931 1.557 1.00 0.00 C ATOM 568 C PRO A 41 -1.227 12.361 1.090 1.00 0.00 C ATOM 569 O PRO A 41 -1.884 12.851 0.172 1.00 0.00 O ATOM 570 CB PRO A 41 -0.165 10.158 1.657 1.00 0.00 C ATOM 571 CG PRO A 41 -0.045 9.444 0.355 1.00 0.00 C ATOM 572 CD PRO A 41 -1.450 9.111 -0.066 1.00 0.00 C ATOM 0 HA PRO A 41 -2.006 11.031 2.508 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.677 10.830 1.819 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.179 9.458 2.492 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.447 10.070 -0.389 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.556 8.540 0.459 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.561 9.132 -1.150 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.743 8.115 0.265 1.00 0.00 H new ATOM 580 N ARG A 42 -0.268 13.024 1.728 1.00 0.00 N ATOM 581 CA ARG A 42 0.074 14.397 1.379 1.00 0.00 C ATOM 582 C ARG A 42 1.344 14.444 0.534 1.00 0.00 C ATOM 583 O ARG A 42 2.318 13.747 0.822 1.00 0.00 O ATOM 584 CB ARG A 42 0.259 15.237 2.644 1.00 0.00 C ATOM 585 CG ARG A 42 1.420 14.782 3.512 1.00 0.00 C ATOM 586 CD ARG A 42 2.699 15.532 3.171 1.00 0.00 C ATOM 587 NE ARG A 42 3.580 15.666 4.327 1.00 0.00 N ATOM 588 CZ ARG A 42 4.695 16.388 4.322 1.00 0.00 C ATOM 589 NH1 ARG A 42 5.063 17.038 3.226 1.00 0.00 N ATOM 590 NH2 ARG A 42 5.445 16.461 5.414 1.00 0.00 N ATOM 0 H ARG A 42 0.286 12.632 2.490 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.747 14.811 0.793 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.415 16.278 2.359 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.659 15.201 3.231 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.174 14.939 4.562 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.578 13.712 3.378 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.225 15.007 2.373 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.448 16.522 2.790 1.00 0.00 H new ATOM 0 HE ARG A 42 3.325 15.178 5.186 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.489 16.984 2.384 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.920 17.592 3.225 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.166 15.962 6.259 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.301 17.016 5.409 1.00 0.00 H new ATOM 604 N CYS A 43 1.325 15.267 -0.508 1.00 0.00 N ATOM 605 CA CYS A 43 2.475 15.403 -1.395 1.00 0.00 C ATOM 606 C CYS A 43 2.379 16.685 -2.216 1.00 0.00 C ATOM 607 O CYS A 43 1.472 16.844 -3.032 1.00 0.00 O ATOM 608 CB CYS A 43 2.573 14.194 -2.326 1.00 0.00 C ATOM 609 SG CYS A 43 4.151 14.060 -3.198 1.00 0.00 S ATOM 0 H CYS A 43 0.527 15.850 -0.760 1.00 0.00 H new ATOM 0 HA CYS A 43 3.373 15.453 -0.780 1.00 0.00 H new ATOM 0 HB2 CYS A 43 2.414 13.287 -1.744 1.00 0.00 H new ATOM 0 HB3 CYS A 43 1.768 14.247 -3.059 1.00 0.00 H new ATOM 0 HG CYS A 43 4.008 14.479 -4.420 1.00 0.00 H new ATOM 615 N GLU A 44 3.321 17.597 -1.992 1.00 0.00 N ATOM 616 CA GLU A 44 3.340 18.866 -2.710 1.00 0.00 C ATOM 617 C GLU A 44 3.193 18.644 -4.212 1.00 0.00 C ATOM 618 O GLU A 44 2.635 19.480 -4.923 1.00 0.00 O ATOM 619 CB GLU A 44 4.638 19.622 -2.419 1.00 0.00 C ATOM 620 CG GLU A 44 4.603 20.418 -1.125 1.00 0.00 C ATOM 621 CD GLU A 44 5.989 20.724 -0.591 1.00 0.00 C ATOM 622 OE1 GLU A 44 6.916 20.895 -1.409 1.00 0.00 O ATOM 623 OE2 GLU A 44 6.145 20.794 0.646 1.00 0.00 O ATOM 0 H GLU A 44 4.080 17.480 -1.320 1.00 0.00 H new ATOM 0 HA GLU A 44 2.495 19.462 -2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.461 18.909 -2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.847 20.300 -3.247 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.068 21.353 -1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.043 19.860 -0.374 1.00 0.00 H new ATOM 630 N ARG A 45 3.699 17.511 -4.689 1.00 0.00 N ATOM 631 CA ARG A 45 3.626 17.179 -6.107 1.00 0.00 C ATOM 632 C ARG A 45 2.520 16.162 -6.371 1.00 0.00 C ATOM 633 O ARG A 45 2.159 15.363 -5.507 1.00 0.00 O ATOM 634 CB ARG A 45 4.968 16.627 -6.593 1.00 0.00 C ATOM 635 CG ARG A 45 6.145 17.543 -6.300 1.00 0.00 C ATOM 636 CD ARG A 45 6.201 18.707 -7.277 1.00 0.00 C ATOM 637 NE ARG A 45 7.549 19.256 -7.397 1.00 0.00 N ATOM 638 CZ ARG A 45 8.116 20.022 -6.472 1.00 0.00 C ATOM 639 NH1 ARG A 45 7.456 20.327 -5.363 1.00 0.00 N ATOM 640 NH2 ARG A 45 9.347 20.483 -6.653 1.00 0.00 N ATOM 0 H ARG A 45 4.164 16.808 -4.114 1.00 0.00 H new ATOM 0 HA ARG A 45 3.395 18.092 -6.657 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.145 15.660 -6.123 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.912 16.453 -7.668 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.066 17.924 -5.282 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.073 16.974 -6.356 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.856 18.375 -8.256 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.519 19.490 -6.947 1.00 0.00 H new ATOM 0 HE ARG A 45 8.085 19.039 -8.238 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.510 19.973 -5.219 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.894 20.915 -4.654 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.859 20.249 -7.504 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.781 21.071 -5.942 1.00 0.00 H new ATOM 654 N PRO A 46 1.968 16.191 -7.593 1.00 0.00 N ATOM 655 CA PRO A 46 0.896 15.279 -8.000 1.00 0.00 C ATOM 656 C PRO A 46 1.382 13.841 -8.146 1.00 0.00 C ATOM 657 O PRO A 46 2.330 13.568 -8.884 1.00 0.00 O ATOM 658 CB PRO A 46 0.452 15.834 -9.355 1.00 0.00 C ATOM 659 CG PRO A 46 1.645 16.557 -9.877 1.00 0.00 C ATOM 660 CD PRO A 46 2.350 17.117 -8.673 1.00 0.00 C ATOM 0 HA PRO A 46 0.097 15.235 -7.260 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.147 15.034 -10.030 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.401 16.504 -9.248 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.297 15.883 -10.433 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.351 17.352 -10.562 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.430 17.144 -8.816 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.031 18.137 -8.459 1.00 0.00 H new ATOM 668 N LEU A 47 0.728 12.925 -7.441 1.00 0.00 N ATOM 669 CA LEU A 47 1.093 11.514 -7.494 1.00 0.00 C ATOM 670 C LEU A 47 0.830 10.934 -8.880 1.00 0.00 C ATOM 671 O LEU A 47 -0.142 11.298 -9.541 1.00 0.00 O ATOM 672 CB LEU A 47 0.312 10.725 -6.442 1.00 0.00 C ATOM 673 CG LEU A 47 0.350 11.282 -5.019 1.00 0.00 C ATOM 674 CD1 LEU A 47 -0.830 10.765 -4.211 1.00 0.00 C ATOM 675 CD2 LEU A 47 1.663 10.922 -4.340 1.00 0.00 C ATOM 0 H LEU A 47 -0.058 13.134 -6.826 1.00 0.00 H new ATOM 0 HA LEU A 47 2.159 11.432 -7.283 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.729 10.666 -6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.697 9.705 -6.422 1.00 0.00 H new ATOM 0 HG LEU A 47 0.278 12.368 -5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.786 11.172 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.760 11.075 -4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.791 9.677 -4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.672 11.327 -3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.766 9.838 -4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.493 11.343 -4.907 1.00 0.00 H new ATOM 687 N GLN A 48 1.702 10.029 -9.312 1.00 0.00 N ATOM 688 CA GLN A 48 1.563 9.398 -10.619 1.00 0.00 C ATOM 689 C GLN A 48 0.838 8.061 -10.504 1.00 0.00 C ATOM 690 O GLN A 48 0.288 7.555 -11.482 1.00 0.00 O ATOM 691 CB GLN A 48 2.937 9.193 -11.259 1.00 0.00 C ATOM 692 CG GLN A 48 3.703 10.486 -11.485 1.00 0.00 C ATOM 693 CD GLN A 48 4.872 10.315 -12.435 1.00 0.00 C ATOM 694 OE1 GLN A 48 4.687 10.047 -13.622 1.00 0.00 O ATOM 695 NE2 GLN A 48 6.084 10.469 -11.916 1.00 0.00 N ATOM 0 H GLN A 48 2.512 9.716 -8.776 1.00 0.00 H new ATOM 0 HA GLN A 48 0.970 10.059 -11.252 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.530 8.536 -10.623 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.811 8.684 -12.214 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.024 11.241 -11.883 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.069 10.859 -10.528 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.190 10.691 -10.926 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.909 10.365 -12.507 1.00 0.00 H new ATOM 704 N GLY A 49 0.841 7.493 -9.302 1.00 0.00 N ATOM 705 CA GLY A 49 0.181 6.220 -9.081 1.00 0.00 C ATOM 706 C GLY A 49 0.375 5.703 -7.670 1.00 0.00 C ATOM 707 O GLY A 49 0.570 6.483 -6.737 1.00 0.00 O ATOM 0 H GLY A 49 1.289 7.892 -8.477 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.885 6.327 -9.282 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.566 5.487 -9.789 1.00 0.00 H new ATOM 711 N TYR A 50 0.322 4.385 -7.511 1.00 0.00 N ATOM 712 CA TYR A 50 0.490 3.765 -6.203 1.00 0.00 C ATOM 713 C TYR A 50 1.099 2.373 -6.334 1.00 0.00 C ATOM 714 O TYR A 50 1.137 1.799 -7.422 1.00 0.00 O ATOM 715 CB TYR A 50 -0.856 3.679 -5.479 1.00 0.00 C ATOM 716 CG TYR A 50 -1.293 4.986 -4.857 1.00 0.00 C ATOM 717 CD1 TYR A 50 -0.856 5.355 -3.590 1.00 0.00 C ATOM 718 CD2 TYR A 50 -2.143 5.851 -5.534 1.00 0.00 C ATOM 719 CE1 TYR A 50 -1.253 6.548 -3.017 1.00 0.00 C ATOM 720 CE2 TYR A 50 -2.544 7.047 -4.970 1.00 0.00 C ATOM 721 CZ TYR A 50 -2.097 7.390 -3.711 1.00 0.00 C ATOM 722 OH TYR A 50 -2.495 8.580 -3.145 1.00 0.00 O ATOM 0 H TYR A 50 0.164 3.725 -8.273 1.00 0.00 H new ATOM 0 HA TYR A 50 1.170 4.386 -5.620 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.618 3.349 -6.185 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.792 2.919 -4.700 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.195 4.698 -3.044 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.497 5.584 -6.519 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.905 6.820 -2.032 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.203 7.709 -5.512 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.259 8.939 -3.642 1.00 0.00 H new ATOM 732 N SER A 51 1.573 1.834 -5.215 1.00 0.00 N ATOM 733 CA SER A 51 2.184 0.509 -5.204 1.00 0.00 C ATOM 734 C SER A 51 1.660 -0.321 -4.036 1.00 0.00 C ATOM 735 O SER A 51 1.750 0.089 -2.878 1.00 0.00 O ATOM 736 CB SER A 51 3.707 0.628 -5.117 1.00 0.00 C ATOM 737 OG SER A 51 4.307 -0.643 -4.932 1.00 0.00 O ATOM 0 H SER A 51 1.546 2.294 -4.305 1.00 0.00 H new ATOM 0 HA SER A 51 1.918 0.005 -6.133 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.092 1.087 -6.028 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.977 1.285 -4.291 1.00 0.00 H new ATOM 0 HG SER A 51 5.280 -0.541 -4.881 1.00 0.00 H new ATOM 743 N VAL A 52 1.111 -1.490 -4.349 1.00 0.00 N ATOM 744 CA VAL A 52 0.573 -2.380 -3.327 1.00 0.00 C ATOM 745 C VAL A 52 1.363 -3.682 -3.260 1.00 0.00 C ATOM 746 O VAL A 52 1.132 -4.600 -4.046 1.00 0.00 O ATOM 747 CB VAL A 52 -0.910 -2.705 -3.590 1.00 0.00 C ATOM 748 CG1 VAL A 52 -1.493 -3.510 -2.438 1.00 0.00 C ATOM 749 CG2 VAL A 52 -1.703 -1.426 -3.813 1.00 0.00 C ATOM 0 H VAL A 52 1.027 -1.843 -5.302 1.00 0.00 H new ATOM 0 HA VAL A 52 0.660 -1.857 -2.375 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.977 -3.310 -4.494 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.541 -3.730 -2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.941 -4.443 -2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.416 -2.934 -1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.748 -1.674 -3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.630 -0.794 -2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.299 -0.893 -4.674 1.00 0.00 H new ATOM 759 N GLU A 53 2.296 -3.754 -2.316 1.00 0.00 N ATOM 760 CA GLU A 53 3.120 -4.945 -2.147 1.00 0.00 C ATOM 761 C GLU A 53 2.525 -5.874 -1.093 1.00 0.00 C ATOM 762 O GLU A 53 2.192 -5.444 0.012 1.00 0.00 O ATOM 763 CB GLU A 53 4.545 -4.553 -1.751 1.00 0.00 C ATOM 764 CG GLU A 53 5.410 -4.134 -2.928 1.00 0.00 C ATOM 765 CD GLU A 53 6.595 -3.286 -2.508 1.00 0.00 C ATOM 766 OE1 GLU A 53 7.573 -3.852 -1.978 1.00 0.00 O ATOM 767 OE2 GLU A 53 6.544 -2.054 -2.711 1.00 0.00 O ATOM 0 H GLU A 53 2.500 -3.002 -1.657 1.00 0.00 H new ATOM 0 HA GLU A 53 3.147 -5.475 -3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.501 -3.734 -1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.017 -5.395 -1.245 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.770 -5.024 -3.445 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.802 -3.576 -3.640 1.00 0.00 H new ATOM 774 N TYR A 54 2.395 -7.149 -1.442 1.00 0.00 N ATOM 775 CA TYR A 54 1.837 -8.139 -0.528 1.00 0.00 C ATOM 776 C TYR A 54 2.583 -9.465 -0.641 1.00 0.00 C ATOM 777 O TYR A 54 2.932 -9.901 -1.737 1.00 0.00 O ATOM 778 CB TYR A 54 0.350 -8.350 -0.818 1.00 0.00 C ATOM 779 CG TYR A 54 0.084 -9.071 -2.120 1.00 0.00 C ATOM 780 CD1 TYR A 54 0.319 -10.435 -2.242 1.00 0.00 C ATOM 781 CD2 TYR A 54 -0.403 -8.389 -3.228 1.00 0.00 C ATOM 782 CE1 TYR A 54 0.078 -11.098 -3.430 1.00 0.00 C ATOM 783 CE2 TYR A 54 -0.649 -9.044 -4.419 1.00 0.00 C ATOM 784 CZ TYR A 54 -0.406 -10.398 -4.515 1.00 0.00 C ATOM 785 OH TYR A 54 -0.648 -11.054 -5.700 1.00 0.00 O ATOM 0 H TYR A 54 2.668 -7.522 -2.351 1.00 0.00 H new ATOM 0 HA TYR A 54 1.952 -7.764 0.489 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.094 -8.918 -0.000 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.148 -7.381 -0.841 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.697 -10.986 -1.394 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.593 -7.328 -3.157 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.268 -12.158 -3.508 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.029 -8.499 -5.270 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.987 -10.417 -6.363 1.00 0.00 H new ATOM 795 N GLN A 55 2.822 -10.100 0.502 1.00 0.00 N ATOM 796 CA GLN A 55 3.526 -11.377 0.532 1.00 0.00 C ATOM 797 C GLN A 55 3.226 -12.133 1.822 1.00 0.00 C ATOM 798 O GLN A 55 2.896 -11.532 2.845 1.00 0.00 O ATOM 799 CB GLN A 55 5.033 -11.155 0.396 1.00 0.00 C ATOM 800 CG GLN A 55 5.738 -10.934 1.725 1.00 0.00 C ATOM 801 CD GLN A 55 7.182 -10.505 1.555 1.00 0.00 C ATOM 802 OE1 GLN A 55 7.657 -9.596 2.237 1.00 0.00 O ATOM 803 NE2 GLN A 55 7.891 -11.160 0.642 1.00 0.00 N ATOM 0 H GLN A 55 2.539 -9.752 1.418 1.00 0.00 H new ATOM 0 HA GLN A 55 3.177 -11.976 -0.309 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.476 -12.018 -0.101 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.208 -10.292 -0.247 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.202 -10.175 2.294 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.703 -11.854 2.308 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.458 -11.907 0.099 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.869 -10.916 0.484 1.00 0.00 H new ATOM 812 N LEU A 56 3.341 -13.456 1.767 1.00 0.00 N ATOM 813 CA LEU A 56 3.082 -14.295 2.932 1.00 0.00 C ATOM 814 C LEU A 56 3.828 -13.774 4.156 1.00 0.00 C ATOM 815 O LEU A 56 5.059 -13.737 4.177 1.00 0.00 O ATOM 816 CB LEU A 56 3.495 -15.740 2.645 1.00 0.00 C ATOM 817 CG LEU A 56 2.474 -16.594 1.893 1.00 0.00 C ATOM 818 CD1 LEU A 56 3.111 -17.888 1.411 1.00 0.00 C ATOM 819 CD2 LEU A 56 1.270 -16.887 2.777 1.00 0.00 C ATOM 0 H LEU A 56 3.612 -13.970 0.929 1.00 0.00 H new ATOM 0 HA LEU A 56 2.013 -14.263 3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.420 -15.725 2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.718 -16.228 3.594 1.00 0.00 H new ATOM 0 HG LEU A 56 2.133 -16.035 1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.369 -18.482 0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.940 -17.658 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.481 -18.452 2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.553 -17.496 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.595 -17.426 3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.798 -15.950 3.072 1.00 0.00 H new ATOM 831 N LEU A 57 3.075 -13.375 5.175 1.00 0.00 N ATOM 832 CA LEU A 57 3.665 -12.858 6.405 1.00 0.00 C ATOM 833 C LEU A 57 4.957 -13.596 6.741 1.00 0.00 C ATOM 834 O LEU A 57 6.026 -12.992 6.817 1.00 0.00 O ATOM 835 CB LEU A 57 2.674 -12.988 7.563 1.00 0.00 C ATOM 836 CG LEU A 57 2.868 -12.014 8.726 1.00 0.00 C ATOM 837 CD1 LEU A 57 2.353 -10.632 8.355 1.00 0.00 C ATOM 838 CD2 LEU A 57 2.168 -12.529 9.975 1.00 0.00 C ATOM 0 H LEU A 57 2.055 -13.399 5.174 1.00 0.00 H new ATOM 0 HA LEU A 57 3.899 -11.805 6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.666 -12.856 7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.733 -14.004 7.953 1.00 0.00 H new ATOM 0 HG LEU A 57 3.935 -11.937 8.938 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.499 -9.952 9.194 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.899 -10.261 7.488 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.291 -10.691 8.117 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.317 -11.823 10.792 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.101 -12.635 9.777 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.584 -13.498 10.252 1.00 0.00 H new ATOM 850 N ASN A 58 4.850 -14.905 6.940 1.00 0.00 N ATOM 851 CA ASN A 58 6.011 -15.726 7.266 1.00 0.00 C ATOM 852 C ASN A 58 7.170 -15.431 6.318 1.00 0.00 C ATOM 853 O ASN A 58 8.302 -15.222 6.751 1.00 0.00 O ATOM 854 CB ASN A 58 5.647 -17.211 7.199 1.00 0.00 C ATOM 855 CG ASN A 58 5.116 -17.614 5.837 1.00 0.00 C ATOM 856 OD1 ASN A 58 5.882 -17.939 4.930 1.00 0.00 O ATOM 857 ND2 ASN A 58 3.796 -17.595 5.688 1.00 0.00 N ATOM 0 H ASN A 58 3.972 -15.421 6.881 1.00 0.00 H new ATOM 0 HA ASN A 58 6.324 -15.481 8.281 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.527 -17.809 7.435 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.898 -17.433 7.959 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.380 -17.857 4.794 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.199 -17.319 6.467 1.00 0.00 H new ATOM 864 N GLY A 59 6.877 -15.416 5.021 1.00 0.00 N ATOM 865 CA GLY A 59 7.904 -15.145 4.032 1.00 0.00 C ATOM 866 C GLY A 59 7.842 -16.099 2.856 1.00 0.00 C ATOM 867 O GLY A 59 8.356 -17.215 2.924 1.00 0.00 O ATOM 0 H GLY A 59 5.947 -15.587 4.638 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.796 -14.122 3.672 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.885 -15.216 4.502 1.00 0.00 H new ATOM 871 N GLY A 60 7.208 -15.660 1.773 1.00 0.00 N ATOM 872 CA GLY A 60 7.090 -16.497 0.592 1.00 0.00 C ATOM 873 C GLY A 60 7.345 -15.729 -0.690 1.00 0.00 C ATOM 874 O GLY A 60 8.474 -15.326 -0.965 1.00 0.00 O ATOM 0 H GLY A 60 6.774 -14.740 1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.797 -17.323 0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.092 -16.934 0.558 1.00 0.00 H new ATOM 878 N GLU A 61 6.292 -15.528 -1.477 1.00 0.00 N ATOM 879 CA GLU A 61 6.409 -14.806 -2.738 1.00 0.00 C ATOM 880 C GLU A 61 5.889 -13.378 -2.598 1.00 0.00 C ATOM 881 O GLU A 61 4.793 -13.152 -2.083 1.00 0.00 O ATOM 882 CB GLU A 61 5.640 -15.535 -3.842 1.00 0.00 C ATOM 883 CG GLU A 61 5.934 -15.010 -5.237 1.00 0.00 C ATOM 884 CD GLU A 61 5.775 -16.074 -6.306 1.00 0.00 C ATOM 885 OE1 GLU A 61 4.623 -16.457 -6.596 1.00 0.00 O ATOM 886 OE2 GLU A 61 6.805 -16.524 -6.852 1.00 0.00 O ATOM 0 H GLU A 61 5.350 -15.855 -1.263 1.00 0.00 H new ATOM 0 HA GLU A 61 7.465 -14.765 -3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.885 -16.596 -3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.571 -15.447 -3.648 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.266 -14.177 -5.456 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.951 -14.619 -5.267 1.00 0.00 H new ATOM 893 N LEU A 62 6.683 -12.418 -3.058 1.00 0.00 N ATOM 894 CA LEU A 62 6.304 -11.011 -2.984 1.00 0.00 C ATOM 895 C LEU A 62 5.759 -10.523 -4.322 1.00 0.00 C ATOM 896 O LEU A 62 6.422 -10.638 -5.354 1.00 0.00 O ATOM 897 CB LEU A 62 7.506 -10.160 -2.568 1.00 0.00 C ATOM 898 CG LEU A 62 7.313 -8.645 -2.642 1.00 0.00 C ATOM 899 CD1 LEU A 62 7.332 -8.174 -4.088 1.00 0.00 C ATOM 900 CD2 LEU A 62 6.012 -8.239 -1.964 1.00 0.00 C ATOM 0 H LEU A 62 7.593 -12.588 -3.486 1.00 0.00 H new ATOM 0 HA LEU A 62 5.519 -10.910 -2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.775 -10.422 -1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.353 -10.430 -3.199 1.00 0.00 H new ATOM 0 HG LEU A 62 8.139 -8.167 -2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.193 -7.093 -4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.289 -8.431 -4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.527 -8.660 -4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.891 -7.157 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.174 -8.727 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.037 -8.541 -0.917 1.00 0.00 H new ATOM 912 N HIS A 63 4.548 -9.975 -4.298 1.00 0.00 N ATOM 913 CA HIS A 63 3.915 -9.466 -5.509 1.00 0.00 C ATOM 914 C HIS A 63 3.742 -7.952 -5.437 1.00 0.00 C ATOM 915 O HIS A 63 3.106 -7.433 -4.519 1.00 0.00 O ATOM 916 CB HIS A 63 2.558 -10.137 -5.721 1.00 0.00 C ATOM 917 CG HIS A 63 2.650 -11.612 -5.962 1.00 0.00 C ATOM 918 ND1 HIS A 63 2.511 -12.181 -7.211 1.00 0.00 N ATOM 919 CD2 HIS A 63 2.870 -12.637 -5.106 1.00 0.00 C ATOM 920 CE1 HIS A 63 2.640 -13.492 -7.112 1.00 0.00 C ATOM 921 NE2 HIS A 63 2.859 -13.794 -5.845 1.00 0.00 N ATOM 0 H HIS A 63 3.986 -9.872 -3.453 1.00 0.00 H new ATOM 0 HA HIS A 63 4.563 -9.700 -6.354 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.933 -9.959 -4.846 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.059 -9.669 -6.570 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.025 -12.559 -4.040 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.577 -14.197 -7.928 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.998 -14.735 -5.475 1.00 0.00 H new ATOM 929 N ARG A 64 4.313 -7.248 -6.409 1.00 0.00 N ATOM 930 CA ARG A 64 4.223 -5.794 -6.454 1.00 0.00 C ATOM 931 C ARG A 64 3.174 -5.345 -7.467 1.00 0.00 C ATOM 932 O ARG A 64 3.298 -5.609 -8.664 1.00 0.00 O ATOM 933 CB ARG A 64 5.582 -5.188 -6.809 1.00 0.00 C ATOM 934 CG ARG A 64 5.608 -3.670 -6.746 1.00 0.00 C ATOM 935 CD ARG A 64 6.803 -3.101 -7.495 1.00 0.00 C ATOM 936 NE ARG A 64 7.016 -1.688 -7.194 1.00 0.00 N ATOM 937 CZ ARG A 64 8.096 -1.012 -7.568 1.00 0.00 C ATOM 938 NH1 ARG A 64 9.056 -1.616 -8.255 1.00 0.00 N ATOM 939 NH2 ARG A 64 8.218 0.272 -7.256 1.00 0.00 N ATOM 0 H ARG A 64 4.843 -7.662 -7.176 1.00 0.00 H new ATOM 0 HA ARG A 64 3.923 -5.443 -5.466 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.336 -5.584 -6.129 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.861 -5.506 -7.814 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.687 -3.271 -7.172 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.643 -3.349 -5.705 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.697 -3.666 -7.233 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.651 -3.224 -8.567 1.00 0.00 H new ATOM 0 HE ARG A 64 6.296 -1.193 -6.668 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.966 -2.603 -8.498 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.884 -1.094 -8.541 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.482 0.741 -6.728 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.048 0.790 -7.544 1.00 0.00 H new ATOM 953 N LEU A 65 2.141 -4.666 -6.980 1.00 0.00 N ATOM 954 CA LEU A 65 1.070 -4.180 -7.842 1.00 0.00 C ATOM 955 C LEU A 65 1.174 -2.672 -8.044 1.00 0.00 C ATOM 956 O LEU A 65 1.132 -1.903 -7.084 1.00 0.00 O ATOM 957 CB LEU A 65 -0.293 -4.533 -7.243 1.00 0.00 C ATOM 958 CG LEU A 65 -0.512 -6.006 -6.894 1.00 0.00 C ATOM 959 CD1 LEU A 65 -1.745 -6.169 -6.019 1.00 0.00 C ATOM 960 CD2 LEU A 65 -0.639 -6.840 -8.160 1.00 0.00 C ATOM 0 H LEU A 65 2.023 -4.440 -5.992 1.00 0.00 H new ATOM 0 HA LEU A 65 1.171 -4.665 -8.813 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.434 -3.941 -6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.067 -4.228 -7.947 1.00 0.00 H new ATOM 0 HG LEU A 65 0.354 -6.361 -6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.885 -7.223 -5.781 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.614 -5.603 -5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.621 -5.798 -6.551 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.794 -7.885 -7.893 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.487 -6.485 -8.746 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.273 -6.748 -8.749 1.00 0.00 H new ATOM 972 N ASN A 66 1.308 -2.256 -9.299 1.00 0.00 N ATOM 973 CA ASN A 66 1.417 -0.839 -9.626 1.00 0.00 C ATOM 974 C ASN A 66 0.064 -0.272 -10.046 1.00 0.00 C ATOM 975 O ASN A 66 -0.727 -0.950 -10.704 1.00 0.00 O ATOM 976 CB ASN A 66 2.439 -0.629 -10.745 1.00 0.00 C ATOM 977 CG ASN A 66 3.867 -0.788 -10.260 1.00 0.00 C ATOM 978 OD1 ASN A 66 4.165 -1.662 -9.445 1.00 0.00 O ATOM 979 ND2 ASN A 66 4.759 0.060 -10.760 1.00 0.00 N ATOM 0 H ASN A 66 1.344 -2.879 -10.106 1.00 0.00 H new ATOM 0 HA ASN A 66 1.752 -0.311 -8.733 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.249 -1.343 -11.546 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.311 0.367 -11.169 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.735 0.002 -10.471 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.467 0.769 -11.433 1.00 0.00 H new ATOM 986 N ILE A 67 -0.195 0.973 -9.663 1.00 0.00 N ATOM 987 CA ILE A 67 -1.451 1.631 -10.001 1.00 0.00 C ATOM 988 C ILE A 67 -1.226 2.768 -10.992 1.00 0.00 C ATOM 989 O ILE A 67 -0.688 3.822 -10.654 1.00 0.00 O ATOM 990 CB ILE A 67 -2.150 2.189 -8.747 1.00 0.00 C ATOM 991 CG1 ILE A 67 -2.100 1.165 -7.611 1.00 0.00 C ATOM 992 CG2 ILE A 67 -3.589 2.565 -9.066 1.00 0.00 C ATOM 993 CD1 ILE A 67 -2.949 -0.061 -7.865 1.00 0.00 C ATOM 0 H ILE A 67 0.448 1.547 -9.118 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.090 0.875 -10.457 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.624 3.087 -8.425 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.066 0.856 -7.457 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.431 1.642 -6.688 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.070 2.958 -8.170 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.602 3.325 -9.847 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.128 1.682 -9.410 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.865 -0.743 -7.019 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.990 0.237 -7.989 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.604 -0.561 -8.770 1.00 0.00 H new ATOM 1005 N PRO A 68 -1.650 2.552 -12.246 1.00 0.00 N ATOM 1006 CA PRO A 68 -1.509 3.548 -13.312 1.00 0.00 C ATOM 1007 C PRO A 68 -2.422 4.751 -13.107 1.00 0.00 C ATOM 1008 O PRO A 68 -2.469 5.657 -13.938 1.00 0.00 O ATOM 1009 CB PRO A 68 -1.914 2.779 -14.572 1.00 0.00 C ATOM 1010 CG PRO A 68 -2.812 1.696 -14.083 1.00 0.00 C ATOM 1011 CD PRO A 68 -2.301 1.319 -12.720 1.00 0.00 C ATOM 0 HA PRO A 68 -0.501 3.960 -13.353 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.426 3.427 -15.284 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.043 2.370 -15.083 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.845 2.039 -14.031 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.794 0.840 -14.757 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.111 1.012 -12.058 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.598 0.487 -12.770 1.00 0.00 H new ATOM 1019 N ASN A 69 -3.148 4.754 -11.993 1.00 0.00 N ATOM 1020 CA ASN A 69 -4.061 5.847 -11.678 1.00 0.00 C ATOM 1021 C ASN A 69 -3.814 6.373 -10.267 1.00 0.00 C ATOM 1022 O ASN A 69 -4.052 5.687 -9.272 1.00 0.00 O ATOM 1023 CB ASN A 69 -5.512 5.383 -11.815 1.00 0.00 C ATOM 1024 CG ASN A 69 -6.485 6.543 -11.899 1.00 0.00 C ATOM 1025 OD1 ASN A 69 -6.162 7.600 -12.442 1.00 0.00 O ATOM 1026 ND2 ASN A 69 -7.683 6.350 -11.360 1.00 0.00 N ATOM 0 H ASN A 69 -3.122 4.012 -11.294 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.877 6.656 -12.385 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.610 4.765 -12.707 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.772 4.755 -10.962 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.380 7.095 -11.386 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.907 5.457 -10.920 1.00 0.00 H new ATOM 1033 N PRO A 70 -3.325 7.618 -10.177 1.00 0.00 N ATOM 1034 CA PRO A 70 -3.037 8.264 -8.893 1.00 0.00 C ATOM 1035 C PRO A 70 -4.305 8.600 -8.114 1.00 0.00 C ATOM 1036 O PRO A 70 -4.242 9.042 -6.968 1.00 0.00 O ATOM 1037 CB PRO A 70 -2.303 9.545 -9.297 1.00 0.00 C ATOM 1038 CG PRO A 70 -2.775 9.832 -10.681 1.00 0.00 C ATOM 1039 CD PRO A 70 -3.018 8.493 -11.321 1.00 0.00 C ATOM 0 HA PRO A 70 -2.461 7.616 -8.232 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.538 10.366 -8.620 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.222 9.408 -9.268 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.687 10.429 -10.667 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.030 10.401 -11.237 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.844 8.531 -12.031 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.143 8.145 -11.869 1.00 0.00 H new ATOM 1047 N ALA A 71 -5.455 8.387 -8.746 1.00 0.00 N ATOM 1048 CA ALA A 71 -6.737 8.664 -8.111 1.00 0.00 C ATOM 1049 C ALA A 71 -7.331 7.401 -7.497 1.00 0.00 C ATOM 1050 O ALA A 71 -8.113 7.470 -6.550 1.00 0.00 O ATOM 1051 CB ALA A 71 -7.705 9.268 -9.118 1.00 0.00 C ATOM 0 H ALA A 71 -5.524 8.024 -9.697 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.568 9.382 -7.308 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.659 9.470 -8.630 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.292 10.199 -9.507 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.859 8.568 -9.940 1.00 0.00 H new ATOM 1057 N GLN A 72 -6.953 6.249 -8.043 1.00 0.00 N ATOM 1058 CA GLN A 72 -7.450 4.971 -7.548 1.00 0.00 C ATOM 1059 C GLN A 72 -6.743 4.576 -6.256 1.00 0.00 C ATOM 1060 O GLN A 72 -5.626 4.057 -6.279 1.00 0.00 O ATOM 1061 CB GLN A 72 -7.256 3.881 -8.604 1.00 0.00 C ATOM 1062 CG GLN A 72 -7.475 2.474 -8.073 1.00 0.00 C ATOM 1063 CD GLN A 72 -6.982 1.406 -9.029 1.00 0.00 C ATOM 1064 OE1 GLN A 72 -6.960 1.606 -10.244 1.00 0.00 O ATOM 1065 NE2 GLN A 72 -6.583 0.262 -8.485 1.00 0.00 N ATOM 0 H GLN A 72 -6.305 6.175 -8.827 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.514 5.079 -7.340 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.945 4.060 -9.430 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.247 3.955 -9.009 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.961 2.366 -7.118 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.538 2.323 -7.882 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.618 0.139 -7.473 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -6.241 -0.493 -9.079 1.00 0.00 H new ATOM 1074 N THR A 73 -7.401 4.824 -5.127 1.00 0.00 N ATOM 1075 CA THR A 73 -6.836 4.495 -3.825 1.00 0.00 C ATOM 1076 C THR A 73 -7.361 3.157 -3.319 1.00 0.00 C ATOM 1077 O THR A 73 -7.500 2.949 -2.114 1.00 0.00 O ATOM 1078 CB THR A 73 -7.153 5.585 -2.784 1.00 0.00 C ATOM 1079 OG1 THR A 73 -8.569 5.689 -2.600 1.00 0.00 O ATOM 1080 CG2 THR A 73 -6.593 6.930 -3.221 1.00 0.00 C ATOM 0 H THR A 73 -8.326 5.252 -5.089 1.00 0.00 H new ATOM 0 HA THR A 73 -5.756 4.431 -3.957 1.00 0.00 H new ATOM 0 HB THR A 73 -6.684 5.303 -1.841 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.762 6.383 -1.935 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.829 7.684 -2.470 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.511 6.855 -3.332 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.037 7.216 -4.175 1.00 0.00 H new ATOM 1088 N SER A 74 -7.652 2.251 -4.248 1.00 0.00 N ATOM 1089 CA SER A 74 -8.165 0.932 -3.895 1.00 0.00 C ATOM 1090 C SER A 74 -7.856 -0.082 -4.992 1.00 0.00 C ATOM 1091 O SER A 74 -8.015 0.202 -6.179 1.00 0.00 O ATOM 1092 CB SER A 74 -9.675 0.997 -3.656 1.00 0.00 C ATOM 1093 OG SER A 74 -10.322 1.737 -4.677 1.00 0.00 O ATOM 0 H SER A 74 -7.541 2.406 -5.250 1.00 0.00 H new ATOM 0 HA SER A 74 -7.672 0.611 -2.978 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.084 -0.013 -3.619 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.874 1.457 -2.688 1.00 0.00 H new ATOM 0 HG SER A 74 -11.286 1.762 -4.502 1.00 0.00 H new ATOM 1099 N VAL A 75 -7.412 -1.267 -4.585 1.00 0.00 N ATOM 1100 CA VAL A 75 -7.081 -2.326 -5.531 1.00 0.00 C ATOM 1101 C VAL A 75 -7.544 -3.685 -5.020 1.00 0.00 C ATOM 1102 O VAL A 75 -7.511 -3.953 -3.819 1.00 0.00 O ATOM 1103 CB VAL A 75 -5.565 -2.381 -5.803 1.00 0.00 C ATOM 1104 CG1 VAL A 75 -4.807 -2.723 -4.530 1.00 0.00 C ATOM 1105 CG2 VAL A 75 -5.259 -3.386 -6.903 1.00 0.00 C ATOM 0 H VAL A 75 -7.273 -1.518 -3.606 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.602 -2.095 -6.460 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.236 -1.398 -6.139 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.738 -2.757 -4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.003 -1.962 -3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.135 -3.695 -4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.184 -3.413 -7.083 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.600 -4.375 -6.597 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.773 -3.092 -7.818 1.00 0.00 H new ATOM 1115 N VAL A 76 -7.976 -4.541 -5.940 1.00 0.00 N ATOM 1116 CA VAL A 76 -8.445 -5.875 -5.583 1.00 0.00 C ATOM 1117 C VAL A 76 -7.335 -6.908 -5.737 1.00 0.00 C ATOM 1118 O VAL A 76 -6.783 -7.085 -6.824 1.00 0.00 O ATOM 1119 CB VAL A 76 -9.648 -6.297 -6.448 1.00 0.00 C ATOM 1120 CG1 VAL A 76 -10.060 -7.726 -6.129 1.00 0.00 C ATOM 1121 CG2 VAL A 76 -10.813 -5.340 -6.244 1.00 0.00 C ATOM 0 H VAL A 76 -8.011 -4.335 -6.938 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.755 -5.832 -4.539 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.352 -6.255 -7.496 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.911 -8.006 -6.750 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.226 -8.399 -6.331 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -10.338 -7.798 -5.078 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -11.654 -5.653 -6.863 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -11.111 -5.348 -5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.510 -4.332 -6.527 1.00 0.00 H new ATOM 1131 N VAL A 77 -7.011 -7.589 -4.643 1.00 0.00 N ATOM 1132 CA VAL A 77 -5.967 -8.607 -4.656 1.00 0.00 C ATOM 1133 C VAL A 77 -6.566 -10.008 -4.667 1.00 0.00 C ATOM 1134 O VAL A 77 -7.347 -10.367 -3.786 1.00 0.00 O ATOM 1135 CB VAL A 77 -5.033 -8.468 -3.439 1.00 0.00 C ATOM 1136 CG1 VAL A 77 -3.963 -9.549 -3.462 1.00 0.00 C ATOM 1137 CG2 VAL A 77 -4.404 -7.084 -3.406 1.00 0.00 C ATOM 0 H VAL A 77 -7.457 -7.454 -3.736 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.388 -8.456 -5.567 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.624 -8.595 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.312 -9.435 -2.595 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.437 -10.530 -3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.372 -9.457 -4.373 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.747 -7.003 -2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.825 -6.926 -4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.188 -6.330 -3.338 1.00 0.00 H new ATOM 1147 N GLU A 78 -6.194 -10.798 -5.670 1.00 0.00 N ATOM 1148 CA GLU A 78 -6.696 -12.161 -5.795 1.00 0.00 C ATOM 1149 C GLU A 78 -5.546 -13.151 -5.958 1.00 0.00 C ATOM 1150 O GLU A 78 -4.375 -12.776 -5.885 1.00 0.00 O ATOM 1151 CB GLU A 78 -7.650 -12.270 -6.986 1.00 0.00 C ATOM 1152 CG GLU A 78 -8.872 -11.374 -6.870 1.00 0.00 C ATOM 1153 CD GLU A 78 -9.962 -11.745 -7.857 1.00 0.00 C ATOM 1154 OE1 GLU A 78 -10.740 -12.676 -7.558 1.00 0.00 O ATOM 1155 OE2 GLU A 78 -10.038 -11.106 -8.927 1.00 0.00 O ATOM 0 H GLU A 78 -5.547 -10.517 -6.407 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.238 -12.407 -4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.110 -12.017 -7.898 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.977 -13.305 -7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.268 -11.435 -5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.575 -10.338 -7.034 1.00 0.00 H new ATOM 1162 N ASP A 79 -5.888 -14.415 -6.178 1.00 0.00 N ATOM 1163 CA ASP A 79 -4.886 -15.460 -6.353 1.00 0.00 C ATOM 1164 C ASP A 79 -4.041 -15.618 -5.093 1.00 0.00 C ATOM 1165 O ASP A 79 -2.813 -15.690 -5.160 1.00 0.00 O ATOM 1166 CB ASP A 79 -3.987 -15.139 -7.548 1.00 0.00 C ATOM 1167 CG ASP A 79 -4.671 -15.402 -8.875 1.00 0.00 C ATOM 1168 OD1 ASP A 79 -5.912 -15.280 -8.936 1.00 0.00 O ATOM 1169 OD2 ASP A 79 -3.966 -15.731 -9.852 1.00 0.00 O ATOM 0 H ASP A 79 -6.852 -14.741 -6.240 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.405 -16.400 -6.541 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.684 -14.093 -7.500 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.078 -15.738 -7.486 1.00 0.00 H new ATOM 1174 N LEU A 80 -4.705 -15.669 -3.944 1.00 0.00 N ATOM 1175 CA LEU A 80 -4.016 -15.818 -2.667 1.00 0.00 C ATOM 1176 C LEU A 80 -4.242 -17.209 -2.084 1.00 0.00 C ATOM 1177 O LEU A 80 -4.943 -18.034 -2.672 1.00 0.00 O ATOM 1178 CB LEU A 80 -4.496 -14.753 -1.678 1.00 0.00 C ATOM 1179 CG LEU A 80 -4.349 -13.301 -2.133 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -5.422 -12.431 -1.496 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -2.963 -12.773 -1.794 1.00 0.00 C ATOM 0 H LEU A 80 -5.721 -15.609 -3.870 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.948 -15.688 -2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.547 -14.939 -1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.946 -14.878 -0.745 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.475 -13.265 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.302 -11.401 -1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.407 -12.795 -1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.327 -12.473 -0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.877 -11.738 -2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.808 -12.823 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.210 -13.379 -2.297 1.00 0.00 H new ATOM 1193 N LEU A 81 -3.648 -17.462 -0.923 1.00 0.00 N ATOM 1194 CA LEU A 81 -3.786 -18.753 -0.258 1.00 0.00 C ATOM 1195 C LEU A 81 -4.749 -18.657 0.922 1.00 0.00 C ATOM 1196 O LEU A 81 -4.741 -17.690 1.683 1.00 0.00 O ATOM 1197 CB LEU A 81 -2.422 -19.251 0.221 1.00 0.00 C ATOM 1198 CG LEU A 81 -1.497 -19.818 -0.857 1.00 0.00 C ATOM 1199 CD1 LEU A 81 -0.063 -19.875 -0.354 1.00 0.00 C ATOM 1200 CD2 LEU A 81 -1.968 -21.199 -1.290 1.00 0.00 C ATOM 0 H LEU A 81 -3.066 -16.790 -0.423 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.192 -19.463 -0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.909 -18.425 0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.583 -20.022 0.975 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.530 -19.156 -1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.580 -20.281 -1.134 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.272 -18.871 -0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.012 -20.514 0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.299 -21.588 -2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.964 -21.870 -0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.979 -21.129 -1.692 1.00 0.00 H new ATOM 1212 N PRO A 82 -5.596 -19.685 1.079 1.00 0.00 N ATOM 1213 CA PRO A 82 -6.578 -19.742 2.166 1.00 0.00 C ATOM 1214 C PRO A 82 -5.925 -19.945 3.528 1.00 0.00 C ATOM 1215 O PRO A 82 -4.897 -20.612 3.641 1.00 0.00 O ATOM 1216 CB PRO A 82 -7.442 -20.952 1.801 1.00 0.00 C ATOM 1217 CG PRO A 82 -6.555 -21.812 0.967 1.00 0.00 C ATOM 1218 CD PRO A 82 -5.660 -20.871 0.209 1.00 0.00 C ATOM 0 HA PRO A 82 -7.139 -18.812 2.257 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.781 -21.480 2.692 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.333 -20.651 1.250 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.971 -22.490 1.590 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.139 -22.430 0.285 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.672 -21.302 0.044 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.070 -20.628 -0.771 1.00 0.00 H new ATOM 1226 N ASN A 83 -6.528 -19.365 4.561 1.00 0.00 N ATOM 1227 CA ASN A 83 -6.003 -19.483 5.917 1.00 0.00 C ATOM 1228 C ASN A 83 -4.518 -19.136 5.958 1.00 0.00 C ATOM 1229 O ASN A 83 -3.717 -19.856 6.555 1.00 0.00 O ATOM 1230 CB ASN A 83 -6.222 -20.900 6.449 1.00 0.00 C ATOM 1231 CG ASN A 83 -7.676 -21.175 6.782 1.00 0.00 C ATOM 1232 OD1 ASN A 83 -7.997 -21.641 7.875 1.00 0.00 O ATOM 1233 ND2 ASN A 83 -8.564 -20.886 5.837 1.00 0.00 N ATOM 0 H ASN A 83 -7.380 -18.809 4.485 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.540 -18.777 6.550 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.880 -21.621 5.706 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.614 -21.048 7.341 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.557 -21.049 6.003 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.253 -20.501 4.945 1.00 0.00 H new ATOM 1240 N HIS A 84 -4.157 -18.028 5.318 1.00 0.00 N ATOM 1241 CA HIS A 84 -2.768 -17.584 5.283 1.00 0.00 C ATOM 1242 C HIS A 84 -2.674 -16.075 5.484 1.00 0.00 C ATOM 1243 O HIS A 84 -3.476 -15.315 4.940 1.00 0.00 O ATOM 1244 CB HIS A 84 -2.120 -17.974 3.954 1.00 0.00 C ATOM 1245 CG HIS A 84 -1.602 -19.379 3.929 1.00 0.00 C ATOM 1246 ND1 HIS A 84 -2.402 -20.472 3.667 1.00 0.00 N ATOM 1247 CD2 HIS A 84 -0.356 -19.868 4.135 1.00 0.00 C ATOM 1248 CE1 HIS A 84 -1.671 -21.571 3.714 1.00 0.00 C ATOM 1249 NE2 HIS A 84 -0.426 -21.232 3.996 1.00 0.00 N ATOM 0 H HIS A 84 -4.807 -17.422 4.817 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.235 -18.075 6.097 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.849 -17.850 3.154 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.298 -17.289 3.745 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -3.402 -20.437 3.468 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.528 -19.292 4.366 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.030 -22.576 3.550 1.00 0.00 H new ATOM 1257 N SER A 85 -1.691 -15.647 6.270 1.00 0.00 N ATOM 1258 CA SER A 85 -1.495 -14.229 6.547 1.00 0.00 C ATOM 1259 C SER A 85 -0.653 -13.574 5.457 1.00 0.00 C ATOM 1260 O SER A 85 0.279 -14.180 4.928 1.00 0.00 O ATOM 1261 CB SER A 85 -0.824 -14.042 7.908 1.00 0.00 C ATOM 1262 OG SER A 85 -1.753 -14.216 8.964 1.00 0.00 O ATOM 0 H SER A 85 -1.018 -16.263 6.726 1.00 0.00 H new ATOM 0 HA SER A 85 -2.473 -13.748 6.564 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.008 -14.757 8.016 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.385 -13.046 7.966 1.00 0.00 H new ATOM 0 HG SER A 85 -1.298 -14.093 9.823 1.00 0.00 H new ATOM 1268 N TYR A 86 -0.988 -12.332 5.126 1.00 0.00 N ATOM 1269 CA TYR A 86 -0.264 -11.593 4.097 1.00 0.00 C ATOM 1270 C TYR A 86 -0.034 -10.147 4.525 1.00 0.00 C ATOM 1271 O TYR A 86 -0.965 -9.451 4.929 1.00 0.00 O ATOM 1272 CB TYR A 86 -1.035 -11.630 2.777 1.00 0.00 C ATOM 1273 CG TYR A 86 -0.717 -12.836 1.923 1.00 0.00 C ATOM 1274 CD1 TYR A 86 0.358 -12.825 1.043 1.00 0.00 C ATOM 1275 CD2 TYR A 86 -1.492 -13.987 1.996 1.00 0.00 C ATOM 1276 CE1 TYR A 86 0.652 -13.925 0.261 1.00 0.00 C ATOM 1277 CE2 TYR A 86 -1.205 -15.092 1.219 1.00 0.00 C ATOM 1278 CZ TYR A 86 -0.132 -15.056 0.352 1.00 0.00 C ATOM 1279 OH TYR A 86 0.158 -16.154 -0.425 1.00 0.00 O ATOM 0 H TYR A 86 -1.756 -11.815 5.555 1.00 0.00 H new ATOM 0 HA TYR A 86 0.706 -12.070 3.957 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.104 -11.618 2.990 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.813 -10.726 2.211 1.00 0.00 H new ATOM 0 HD1 TYR A 86 0.974 -11.941 0.969 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.334 -14.018 2.672 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.491 -13.900 -0.418 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.817 -15.979 1.289 1.00 0.00 H new ATOM 0 HH TYR A 86 0.943 -15.964 -0.980 1.00 0.00 H new ATOM 1289 N VAL A 87 1.215 -9.702 4.433 1.00 0.00 N ATOM 1290 CA VAL A 87 1.570 -8.338 4.808 1.00 0.00 C ATOM 1291 C VAL A 87 1.404 -7.383 3.631 1.00 0.00 C ATOM 1292 O VAL A 87 2.238 -7.344 2.727 1.00 0.00 O ATOM 1293 CB VAL A 87 3.020 -8.256 5.320 1.00 0.00 C ATOM 1294 CG1 VAL A 87 3.996 -8.678 4.232 1.00 0.00 C ATOM 1295 CG2 VAL A 87 3.333 -6.851 5.812 1.00 0.00 C ATOM 0 H VAL A 87 1.998 -10.266 4.102 1.00 0.00 H new ATOM 0 HA VAL A 87 0.892 -8.044 5.609 1.00 0.00 H new ATOM 0 HB VAL A 87 3.129 -8.943 6.159 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.015 -8.613 4.613 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.785 -9.704 3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.888 -8.019 3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.362 -6.812 6.170 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.206 -6.142 4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.656 -6.591 6.625 1.00 0.00 H new ATOM 1305 N PHE A 88 0.321 -6.613 3.650 1.00 0.00 N ATOM 1306 CA PHE A 88 0.044 -5.658 2.584 1.00 0.00 C ATOM 1307 C PHE A 88 0.610 -4.283 2.925 1.00 0.00 C ATOM 1308 O PHE A 88 0.108 -3.596 3.815 1.00 0.00 O ATOM 1309 CB PHE A 88 -1.463 -5.555 2.340 1.00 0.00 C ATOM 1310 CG PHE A 88 -2.031 -6.727 1.592 1.00 0.00 C ATOM 1311 CD1 PHE A 88 -2.299 -7.919 2.245 1.00 0.00 C ATOM 1312 CD2 PHE A 88 -2.297 -6.636 0.235 1.00 0.00 C ATOM 1313 CE1 PHE A 88 -2.821 -8.999 1.558 1.00 0.00 C ATOM 1314 CE2 PHE A 88 -2.819 -7.712 -0.457 1.00 0.00 C ATOM 1315 CZ PHE A 88 -3.082 -8.895 0.205 1.00 0.00 C ATOM 0 H PHE A 88 -0.379 -6.632 4.392 1.00 0.00 H new ATOM 0 HA PHE A 88 0.528 -6.016 1.675 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.973 -5.465 3.299 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.671 -4.642 1.781 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.098 -8.005 3.303 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.094 -5.713 -0.288 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.025 -9.923 2.078 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.021 -7.628 -1.515 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.491 -9.737 -0.334 1.00 0.00 H new ATOM 1325 N ARG A 89 1.660 -3.888 2.211 1.00 0.00 N ATOM 1326 CA ARG A 89 2.296 -2.596 2.439 1.00 0.00 C ATOM 1327 C ARG A 89 2.074 -1.663 1.252 1.00 0.00 C ATOM 1328 O ARG A 89 2.802 -1.718 0.261 1.00 0.00 O ATOM 1329 CB ARG A 89 3.795 -2.778 2.685 1.00 0.00 C ATOM 1330 CG ARG A 89 4.114 -3.724 3.831 1.00 0.00 C ATOM 1331 CD ARG A 89 5.614 -3.858 4.042 1.00 0.00 C ATOM 1332 NE ARG A 89 5.931 -4.638 5.235 1.00 0.00 N ATOM 1333 CZ ARG A 89 7.157 -5.049 5.540 1.00 0.00 C ATOM 1334 NH1 ARG A 89 8.176 -4.754 4.744 1.00 0.00 N ATOM 1335 NH2 ARG A 89 7.366 -5.755 6.644 1.00 0.00 N ATOM 0 H ARG A 89 2.088 -4.444 1.470 1.00 0.00 H new ATOM 0 HA ARG A 89 1.842 -2.147 3.322 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.261 -3.154 1.774 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.241 -1.805 2.893 1.00 0.00 H new ATOM 0 HG2 ARG A 89 3.648 -3.359 4.746 1.00 0.00 H new ATOM 0 HG3 ARG A 89 3.685 -4.705 3.625 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.062 -4.333 3.169 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.058 -2.866 4.129 1.00 0.00 H new ATOM 0 HE ARG A 89 5.170 -4.881 5.869 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.019 -4.210 3.895 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.116 -5.071 4.981 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.585 -5.983 7.259 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.308 -6.070 6.877 1.00 0.00 H new ATOM 1349 N VAL A 90 1.063 -0.807 1.360 1.00 0.00 N ATOM 1350 CA VAL A 90 0.744 0.138 0.296 1.00 0.00 C ATOM 1351 C VAL A 90 1.667 1.351 0.345 1.00 0.00 C ATOM 1352 O VAL A 90 2.021 1.831 1.421 1.00 0.00 O ATOM 1353 CB VAL A 90 -0.717 0.614 0.388 1.00 0.00 C ATOM 1354 CG1 VAL A 90 -0.956 1.789 -0.548 1.00 0.00 C ATOM 1355 CG2 VAL A 90 -1.671 -0.529 0.075 1.00 0.00 C ATOM 0 H VAL A 90 0.451 -0.748 2.174 1.00 0.00 H new ATOM 0 HA VAL A 90 0.888 -0.387 -0.648 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.908 0.948 1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.994 2.112 -0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.298 2.613 -0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.747 1.485 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.699 -0.174 0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.481 -0.895 -0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.517 -1.338 0.790 1.00 0.00 H new ATOM 1365 N ARG A 91 2.052 1.842 -0.829 1.00 0.00 N ATOM 1366 CA ARG A 91 2.934 2.999 -0.920 1.00 0.00 C ATOM 1367 C ARG A 91 2.492 3.932 -2.044 1.00 0.00 C ATOM 1368 O ARG A 91 1.686 3.557 -2.895 1.00 0.00 O ATOM 1369 CB ARG A 91 4.377 2.549 -1.155 1.00 0.00 C ATOM 1370 CG ARG A 91 5.368 3.699 -1.237 1.00 0.00 C ATOM 1371 CD ARG A 91 6.798 3.195 -1.350 1.00 0.00 C ATOM 1372 NE ARG A 91 7.408 2.983 -0.040 1.00 0.00 N ATOM 1373 CZ ARG A 91 8.507 2.261 0.151 1.00 0.00 C ATOM 1374 NH1 ARG A 91 9.113 1.685 -0.879 1.00 0.00 N ATOM 1375 NH2 ARG A 91 9.002 2.114 1.373 1.00 0.00 N ATOM 0 H ARG A 91 1.767 1.457 -1.729 1.00 0.00 H new ATOM 0 HA ARG A 91 2.879 3.542 0.023 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.676 1.880 -0.348 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.423 1.974 -2.080 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.132 4.323 -2.099 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.272 4.328 -0.352 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.810 2.261 -1.911 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.392 3.913 -1.915 1.00 0.00 H new ATOM 0 HE ARG A 91 6.966 3.413 0.773 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.735 1.796 -1.820 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.957 1.131 -0.730 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.539 2.555 2.167 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.846 1.559 1.518 1.00 0.00 H new ATOM 1389 N ALA A 92 3.024 5.149 -2.039 1.00 0.00 N ATOM 1390 CA ALA A 92 2.686 6.135 -3.057 1.00 0.00 C ATOM 1391 C ALA A 92 3.933 6.619 -3.789 1.00 0.00 C ATOM 1392 O ALA A 92 5.036 6.581 -3.245 1.00 0.00 O ATOM 1393 CB ALA A 92 1.950 7.311 -2.431 1.00 0.00 C ATOM 0 H ALA A 92 3.692 5.476 -1.341 1.00 0.00 H new ATOM 0 HA ALA A 92 2.031 5.657 -3.786 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.704 8.039 -3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.033 6.957 -1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.586 7.780 -1.680 1.00 0.00 H new ATOM 1399 N GLN A 93 3.750 7.073 -5.025 1.00 0.00 N ATOM 1400 CA GLN A 93 4.862 7.562 -5.831 1.00 0.00 C ATOM 1401 C GLN A 93 4.569 8.957 -6.374 1.00 0.00 C ATOM 1402 O GLN A 93 3.455 9.240 -6.816 1.00 0.00 O ATOM 1403 CB GLN A 93 5.144 6.601 -6.987 1.00 0.00 C ATOM 1404 CG GLN A 93 6.150 7.137 -7.993 1.00 0.00 C ATOM 1405 CD GLN A 93 5.974 6.534 -9.373 1.00 0.00 C ATOM 1406 OE1 GLN A 93 5.198 7.035 -10.187 1.00 0.00 O ATOM 1407 NE2 GLN A 93 6.695 5.452 -9.642 1.00 0.00 N ATOM 0 H GLN A 93 2.843 7.112 -5.489 1.00 0.00 H new ATOM 0 HA GLN A 93 5.743 7.618 -5.192 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.514 5.659 -6.583 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.209 6.382 -7.502 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.050 8.220 -8.059 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.159 6.931 -7.637 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.326 5.071 -8.937 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.618 5.002 -10.554 1.00 0.00 H new ATOM 1416 N SER A 94 5.575 9.825 -6.337 1.00 0.00 N ATOM 1417 CA SER A 94 5.423 11.192 -6.822 1.00 0.00 C ATOM 1418 C SER A 94 6.610 11.595 -7.692 1.00 0.00 C ATOM 1419 O SER A 94 7.573 10.842 -7.831 1.00 0.00 O ATOM 1420 CB SER A 94 5.287 12.160 -5.645 1.00 0.00 C ATOM 1421 OG SER A 94 6.540 12.388 -5.024 1.00 0.00 O ATOM 0 H SER A 94 6.504 9.606 -5.976 1.00 0.00 H new ATOM 0 HA SER A 94 4.518 11.238 -7.428 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.873 13.106 -5.994 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.585 11.755 -4.916 1.00 0.00 H new ATOM 0 HG SER A 94 6.535 13.266 -4.590 1.00 0.00 H new ATOM 1427 N GLN A 95 6.531 12.787 -8.274 1.00 0.00 N ATOM 1428 CA GLN A 95 7.597 13.290 -9.131 1.00 0.00 C ATOM 1429 C GLN A 95 8.952 13.173 -8.440 1.00 0.00 C ATOM 1430 O GLN A 95 9.957 12.853 -9.074 1.00 0.00 O ATOM 1431 CB GLN A 95 7.330 14.747 -9.513 1.00 0.00 C ATOM 1432 CG GLN A 95 8.513 15.428 -10.181 1.00 0.00 C ATOM 1433 CD GLN A 95 9.534 15.935 -9.182 1.00 0.00 C ATOM 1434 OE1 GLN A 95 9.219 16.157 -8.012 1.00 0.00 O ATOM 1435 NE2 GLN A 95 10.767 16.122 -9.638 1.00 0.00 N ATOM 0 H GLN A 95 5.740 13.422 -8.168 1.00 0.00 H new ATOM 0 HA GLN A 95 7.617 12.683 -10.036 1.00 0.00 H new ATOM 0 HB2 GLN A 95 6.472 14.786 -10.184 1.00 0.00 H new ATOM 0 HB3 GLN A 95 7.059 15.305 -8.617 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.994 14.726 -10.862 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.154 16.262 -10.784 1.00 0.00 H new ATOM 0 HE21 GLN A 95 10.985 15.925 -10.615 1.00 0.00 H new ATOM 0 HE22 GLN A 95 11.496 16.462 -9.011 1.00 0.00 H new ATOM 1444 N GLU A 96 8.970 13.436 -7.137 1.00 0.00 N ATOM 1445 CA GLU A 96 10.202 13.362 -6.361 1.00 0.00 C ATOM 1446 C GLU A 96 10.712 11.926 -6.286 1.00 0.00 C ATOM 1447 O GLU A 96 11.847 11.638 -6.664 1.00 0.00 O ATOM 1448 CB GLU A 96 9.976 13.909 -4.950 1.00 0.00 C ATOM 1449 CG GLU A 96 10.234 15.401 -4.827 1.00 0.00 C ATOM 1450 CD GLU A 96 11.712 15.741 -4.834 1.00 0.00 C ATOM 1451 OE1 GLU A 96 12.368 15.509 -5.871 1.00 0.00 O ATOM 1452 OE2 GLU A 96 12.212 16.237 -3.804 1.00 0.00 O ATOM 0 H GLU A 96 8.146 13.702 -6.597 1.00 0.00 H new ATOM 0 HA GLU A 96 10.954 13.971 -6.863 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.949 13.700 -4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.626 13.378 -4.255 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.742 15.920 -5.650 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.785 15.769 -3.904 1.00 0.00 H new ATOM 1459 N GLY A 97 9.864 11.028 -5.794 1.00 0.00 N ATOM 1460 CA GLY A 97 10.246 9.633 -5.677 1.00 0.00 C ATOM 1461 C GLY A 97 9.321 8.852 -4.765 1.00 0.00 C ATOM 1462 O GLY A 97 8.350 9.399 -4.240 1.00 0.00 O ATOM 0 H GLY A 97 8.919 11.242 -5.474 1.00 0.00 H new ATOM 0 HA2 GLY A 97 10.247 9.176 -6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.265 9.570 -5.296 1.00 0.00 H new ATOM 1466 N TRP A 98 9.619 7.572 -4.577 1.00 0.00 N ATOM 1467 CA TRP A 98 8.804 6.715 -3.723 1.00 0.00 C ATOM 1468 C TRP A 98 8.912 7.141 -2.263 1.00 0.00 C ATOM 1469 O TRP A 98 10.003 7.177 -1.696 1.00 0.00 O ATOM 1470 CB TRP A 98 9.233 5.254 -3.874 1.00 0.00 C ATOM 1471 CG TRP A 98 8.796 4.637 -5.168 1.00 0.00 C ATOM 1472 CD1 TRP A 98 9.574 4.394 -6.264 1.00 0.00 C ATOM 1473 CD2 TRP A 98 7.478 4.188 -5.501 1.00 0.00 C ATOM 1474 NE1 TRP A 98 8.818 3.820 -7.258 1.00 0.00 N ATOM 1475 CE2 TRP A 98 7.530 3.682 -6.814 1.00 0.00 C ATOM 1476 CE3 TRP A 98 6.260 4.162 -4.816 1.00 0.00 C ATOM 1477 CZ2 TRP A 98 6.410 3.159 -7.455 1.00 0.00 C ATOM 1478 CZ3 TRP A 98 5.149 3.642 -5.453 1.00 0.00 C ATOM 1479 CH2 TRP A 98 5.230 3.146 -6.761 1.00 0.00 C ATOM 0 H TRP A 98 10.419 7.104 -5.004 1.00 0.00 H new ATOM 0 HA TRP A 98 7.765 6.815 -4.035 1.00 0.00 H new ATOM 0 HB2 TRP A 98 10.319 5.192 -3.799 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.822 4.675 -3.047 1.00 0.00 H new ATOM 0 HD1 TRP A 98 10.628 4.620 -6.339 1.00 0.00 H new ATOM 0 HE1 TRP A 98 9.161 3.542 -8.178 1.00 0.00 H new ATOM 0 HE3 TRP A 98 6.188 4.541 -3.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 6.470 2.777 -8.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.202 3.618 -4.934 1.00 0.00 H new ATOM 0 HH2 TRP A 98 4.344 2.745 -7.231 1.00 0.00 H new ATOM 1490 N GLY A 99 7.772 7.463 -1.659 1.00 0.00 N ATOM 1491 CA GLY A 99 7.760 7.882 -0.270 1.00 0.00 C ATOM 1492 C GLY A 99 7.628 6.714 0.687 1.00 0.00 C ATOM 1493 O GLY A 99 8.046 5.598 0.377 1.00 0.00 O ATOM 0 H GLY A 99 6.856 7.441 -2.107 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.679 8.426 -0.050 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.933 8.574 -0.110 1.00 0.00 H new ATOM 1497 N ARG A 100 7.047 6.970 1.854 1.00 0.00 N ATOM 1498 CA ARG A 100 6.864 5.932 2.861 1.00 0.00 C ATOM 1499 C ARG A 100 5.692 5.024 2.499 1.00 0.00 C ATOM 1500 O ARG A 100 4.910 5.334 1.601 1.00 0.00 O ATOM 1501 CB ARG A 100 6.631 6.560 4.236 1.00 0.00 C ATOM 1502 CG ARG A 100 7.903 7.060 4.901 1.00 0.00 C ATOM 1503 CD ARG A 100 8.763 5.907 5.396 1.00 0.00 C ATOM 1504 NE ARG A 100 10.093 6.352 5.804 1.00 0.00 N ATOM 1505 CZ ARG A 100 10.341 6.970 6.954 1.00 0.00 C ATOM 1506 NH1 ARG A 100 9.354 7.214 7.805 1.00 0.00 N ATOM 1507 NH2 ARG A 100 11.578 7.345 7.254 1.00 0.00 N ATOM 0 H ARG A 100 6.695 7.888 2.126 1.00 0.00 H new ATOM 0 HA ARG A 100 7.772 5.329 2.894 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.934 7.392 4.133 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.156 5.825 4.886 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.472 7.662 4.193 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.646 7.709 5.738 1.00 0.00 H new ATOM 0 HD2 ARG A 100 8.269 5.422 6.238 1.00 0.00 H new ATOM 0 HD3 ARG A 100 8.857 5.160 4.608 1.00 0.00 H new ATOM 0 HE ARG A 100 10.874 6.179 5.172 1.00 0.00 H new ATOM 0 HH11 ARG A 100 8.402 6.927 7.578 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.547 7.688 8.687 1.00 0.00 H new ATOM 0 HH21 ARG A 100 12.340 7.159 6.602 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.767 7.819 8.137 1.00 0.00 H new ATOM 1521 N GLU A 101 5.578 3.903 3.205 1.00 0.00 N ATOM 1522 CA GLU A 101 4.503 2.951 2.956 1.00 0.00 C ATOM 1523 C GLU A 101 3.879 2.480 4.267 1.00 0.00 C ATOM 1524 O GLU A 101 4.576 2.285 5.263 1.00 0.00 O ATOM 1525 CB GLU A 101 5.027 1.749 2.168 1.00 0.00 C ATOM 1526 CG GLU A 101 5.814 0.763 3.014 1.00 0.00 C ATOM 1527 CD GLU A 101 6.725 1.448 4.014 1.00 0.00 C ATOM 1528 OE1 GLU A 101 7.504 2.331 3.598 1.00 0.00 O ATOM 1529 OE2 GLU A 101 6.659 1.102 5.212 1.00 0.00 O ATOM 0 H GLU A 101 6.217 3.633 3.953 1.00 0.00 H new ATOM 0 HA GLU A 101 3.736 3.455 2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.185 1.230 1.710 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.661 2.106 1.357 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.120 0.113 3.547 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.411 0.126 2.361 1.00 0.00 H new ATOM 1536 N ARG A 102 2.562 2.301 4.258 1.00 0.00 N ATOM 1537 CA ARG A 102 1.844 1.855 5.446 1.00 0.00 C ATOM 1538 C ARG A 102 1.734 0.334 5.476 1.00 0.00 C ATOM 1539 O ARG A 102 1.503 -0.301 4.447 1.00 0.00 O ATOM 1540 CB ARG A 102 0.448 2.479 5.487 1.00 0.00 C ATOM 1541 CG ARG A 102 -0.427 1.941 6.609 1.00 0.00 C ATOM 1542 CD ARG A 102 -0.256 2.751 7.885 1.00 0.00 C ATOM 1543 NE ARG A 102 0.988 2.426 8.577 1.00 0.00 N ATOM 1544 CZ ARG A 102 1.213 2.709 9.855 1.00 0.00 C ATOM 1545 NH1 ARG A 102 0.283 3.319 10.576 1.00 0.00 N ATOM 1546 NH2 ARG A 102 2.371 2.381 10.415 1.00 0.00 N ATOM 0 H ARG A 102 1.971 2.458 3.442 1.00 0.00 H new ATOM 0 HA ARG A 102 2.406 2.178 6.322 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.545 3.559 5.599 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.049 2.301 4.533 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.472 1.963 6.300 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.174 0.898 6.802 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -0.270 3.814 7.644 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -1.100 2.564 8.549 1.00 0.00 H new ATOM 0 HE ARG A 102 1.724 1.956 8.050 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -0.608 3.572 10.150 1.00 0.00 H new ATOM 0 HH12 ARG A 102 0.459 3.535 11.557 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.089 1.911 9.864 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.543 2.599 11.397 1.00 0.00 H new ATOM 1560 N GLU A 103 1.901 -0.244 6.661 1.00 0.00 N ATOM 1561 CA GLU A 103 1.822 -1.691 6.824 1.00 0.00 C ATOM 1562 C GLU A 103 0.403 -2.121 7.184 1.00 0.00 C ATOM 1563 O GLU A 103 -0.265 -1.480 7.994 1.00 0.00 O ATOM 1564 CB GLU A 103 2.799 -2.159 7.904 1.00 0.00 C ATOM 1565 CG GLU A 103 3.256 -3.597 7.730 1.00 0.00 C ATOM 1566 CD GLU A 103 3.977 -4.133 8.952 1.00 0.00 C ATOM 1567 OE1 GLU A 103 4.861 -3.426 9.477 1.00 0.00 O ATOM 1568 OE2 GLU A 103 3.655 -5.261 9.382 1.00 0.00 O ATOM 0 H GLU A 103 2.092 0.268 7.523 1.00 0.00 H new ATOM 0 HA GLU A 103 2.093 -2.153 5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.672 -1.506 7.900 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.326 -2.053 8.880 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.391 -4.226 7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.917 -3.662 6.866 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.051 -3.212 6.575 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.388 -3.709 6.844 1.00 0.00 C ATOM 1577 C GLY A 104 -1.512 -5.200 6.598 1.00 0.00 C ATOM 1578 O GLY A 104 -1.763 -5.632 5.473 1.00 0.00 O ATOM 0 H GLY A 104 0.483 -3.760 5.901 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.652 -3.491 7.879 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.103 -3.179 6.214 1.00 0.00 H new ATOM 1582 N VAL A 105 -1.334 -5.989 7.653 1.00 0.00 N ATOM 1583 CA VAL A 105 -1.426 -7.440 7.547 1.00 0.00 C ATOM 1584 C VAL A 105 -2.880 -7.895 7.491 1.00 0.00 C ATOM 1585 O VAL A 105 -3.781 -7.185 7.941 1.00 0.00 O ATOM 1586 CB VAL A 105 -0.727 -8.135 8.730 1.00 0.00 C ATOM 1587 CG1 VAL A 105 -1.013 -9.629 8.716 1.00 0.00 C ATOM 1588 CG2 VAL A 105 0.771 -7.871 8.692 1.00 0.00 C ATOM 0 H VAL A 105 -1.125 -5.647 8.591 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.924 -7.722 6.622 1.00 0.00 H new ATOM 0 HB VAL A 105 -1.123 -7.722 9.658 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.511 -10.103 9.559 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.088 -9.794 8.794 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.646 -10.061 7.785 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.250 -8.369 9.535 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.185 -8.256 7.760 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.953 -6.798 8.754 1.00 0.00 H new ATOM 1598 N ILE A 106 -3.102 -9.083 6.939 1.00 0.00 N ATOM 1599 CA ILE A 106 -4.447 -9.633 6.826 1.00 0.00 C ATOM 1600 C ILE A 106 -4.430 -11.154 6.938 1.00 0.00 C ATOM 1601 O ILE A 106 -3.487 -11.810 6.494 1.00 0.00 O ATOM 1602 CB ILE A 106 -5.109 -9.235 5.494 1.00 0.00 C ATOM 1603 CG1 ILE A 106 -6.581 -9.655 5.485 1.00 0.00 C ATOM 1604 CG2 ILE A 106 -4.366 -9.864 4.325 1.00 0.00 C ATOM 1605 CD1 ILE A 106 -7.458 -8.801 6.374 1.00 0.00 C ATOM 0 H ILE A 106 -2.368 -9.683 6.563 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.028 -9.217 7.649 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.059 -8.151 5.390 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -6.958 -9.608 4.463 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.656 -10.694 5.805 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.846 -9.574 3.390 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.332 -9.520 4.324 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.388 -10.949 4.422 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.487 -9.156 6.318 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -7.106 -8.867 7.404 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.413 -7.764 6.041 1.00 0.00 H new ATOM 1617 N THR A 107 -5.480 -11.711 7.533 1.00 0.00 N ATOM 1618 CA THR A 107 -5.587 -13.154 7.703 1.00 0.00 C ATOM 1619 C THR A 107 -6.864 -13.690 7.065 1.00 0.00 C ATOM 1620 O THR A 107 -7.969 -13.332 7.473 1.00 0.00 O ATOM 1621 CB THR A 107 -5.566 -13.548 9.192 1.00 0.00 C ATOM 1622 OG1 THR A 107 -4.256 -13.345 9.733 1.00 0.00 O ATOM 1623 CG2 THR A 107 -5.975 -15.002 9.373 1.00 0.00 C ATOM 0 H THR A 107 -6.269 -11.183 7.906 1.00 0.00 H new ATOM 0 HA THR A 107 -4.723 -13.595 7.206 1.00 0.00 H new ATOM 0 HB THR A 107 -6.280 -12.918 9.722 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.598 -13.819 9.183 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.953 -15.257 10.432 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.984 -15.147 8.986 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.282 -15.645 8.830 1.00 0.00 H new ATOM 1631 N ILE A 108 -6.704 -14.549 6.064 1.00 0.00 N ATOM 1632 CA ILE A 108 -7.845 -15.135 5.372 1.00 0.00 C ATOM 1633 C ILE A 108 -8.658 -16.025 6.307 1.00 0.00 C ATOM 1634 O ILE A 108 -8.144 -17.001 6.852 1.00 0.00 O ATOM 1635 CB ILE A 108 -7.399 -15.963 4.153 1.00 0.00 C ATOM 1636 CG1 ILE A 108 -6.572 -15.101 3.197 1.00 0.00 C ATOM 1637 CG2 ILE A 108 -8.609 -16.546 3.437 1.00 0.00 C ATOM 1638 CD1 ILE A 108 -7.348 -13.949 2.598 1.00 0.00 C ATOM 0 H ILE A 108 -5.796 -14.854 5.714 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.466 -14.307 5.031 1.00 0.00 H new ATOM 0 HB ILE A 108 -6.775 -16.786 4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -5.707 -14.707 3.731 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -6.190 -15.729 2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -8.277 -17.129 2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.161 -17.190 4.121 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.256 -15.737 3.099 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.699 -13.381 1.931 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.198 -14.336 2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -7.707 -13.298 3.395 1.00 0.00 H new ATOM 1650 N GLU A 109 -9.929 -15.680 6.486 1.00 0.00 N ATOM 1651 CA GLU A 109 -10.813 -16.449 7.355 1.00 0.00 C ATOM 1652 C GLU A 109 -12.051 -16.916 6.595 1.00 0.00 C ATOM 1653 O GLU A 109 -12.886 -16.107 6.190 1.00 0.00 O ATOM 1654 CB GLU A 109 -11.230 -15.611 8.566 1.00 0.00 C ATOM 1655 CG GLU A 109 -10.240 -15.670 9.717 1.00 0.00 C ATOM 1656 CD GLU A 109 -9.750 -17.079 9.992 1.00 0.00 C ATOM 1657 OE1 GLU A 109 -10.577 -17.928 10.387 1.00 0.00 O ATOM 1658 OE2 GLU A 109 -8.540 -17.332 9.814 1.00 0.00 O ATOM 0 H GLU A 109 -10.369 -14.874 6.042 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.267 -17.327 7.701 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.351 -14.573 8.255 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.203 -15.954 8.917 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -9.387 -15.030 9.491 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.709 -15.270 10.616 1.00 0.00 H new