USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=19 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= 0.806 USER MOD Set 1.2: A 107 THR OG1 : rot -65:sc= 0.92 USER MOD Set 2.1: A 54 TYR OH : rot 180:sc= -0.139 USER MOD Set 2.2: A 63 HIS :FLIP no HE2:sc= -1.06 F(o=-2.1,f=-1.2) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.935 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0135 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= -0.984 USER MOD Single : A 37 SER OG : rot 50:sc= 0.0808 USER MOD Single : A 39 GLN : amide:sc= -0.346 K(o=-0.35,f=-3.6!) USER MOD Single : A 43 CYS SG : rot 1:sc= -6.79! USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 50 TYR OH : rot 180:sc= -1.89 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -1.52 K(o=-1.5,f=-12!) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= -0.857 K(o=-0.86,f=-2.2) USER MOD Single : A 72 GLN : amide:sc= -0.515 K(o=-0.52,f=-1.1) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 35:sc= 0.0237 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.0379 F(o=-1.1,f=-0.038) USER MOD Single : A 84 HIS : no HE2:sc= 0.984 K(o=0.98,f=-7.4!) USER MOD Single : A 86 TYR OH : rot 30:sc= -0.27 USER MOD Single : A 93 GLN : amide:sc= -11.4! C(o=-11!,f=-11!) USER MOD Single : A 94 SER OG : rot 129:sc= 0.132 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 184 N GLY A 16 9.989 16.428 -2.187 1.00 0.00 N ATOM 185 CA GLY A 16 8.701 16.373 -2.854 1.00 0.00 C ATOM 186 C GLY A 16 8.146 14.964 -2.929 1.00 0.00 C ATOM 187 O GLY A 16 7.560 14.573 -3.938 1.00 0.00 O ATOM 0 HA2 GLY A 16 7.994 17.011 -2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.800 16.775 -3.862 1.00 0.00 H new ATOM 191 N VAL A 17 8.333 14.199 -1.858 1.00 0.00 N ATOM 192 CA VAL A 17 7.847 12.825 -1.806 1.00 0.00 C ATOM 193 C VAL A 17 6.591 12.718 -0.949 1.00 0.00 C ATOM 194 O VAL A 17 6.368 13.506 -0.030 1.00 0.00 O ATOM 195 CB VAL A 17 8.920 11.872 -1.247 1.00 0.00 C ATOM 196 CG1 VAL A 17 10.011 11.631 -2.279 1.00 0.00 C ATOM 197 CG2 VAL A 17 9.507 12.428 0.041 1.00 0.00 C ATOM 0 H VAL A 17 8.817 14.507 -1.015 1.00 0.00 H new ATOM 0 HA VAL A 17 7.610 12.534 -2.829 1.00 0.00 H new ATOM 0 HB VAL A 17 8.449 10.915 -1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.760 10.955 -1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.574 11.186 -3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.482 12.579 -2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.263 11.742 0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.963 13.398 -0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.716 12.543 0.782 1.00 0.00 H new ATOM 207 N PRO A 18 5.750 11.719 -1.255 1.00 0.00 N ATOM 208 CA PRO A 18 4.501 11.484 -0.524 1.00 0.00 C ATOM 209 C PRO A 18 4.746 10.975 0.892 1.00 0.00 C ATOM 210 O PRO A 18 5.609 10.126 1.117 1.00 0.00 O ATOM 211 CB PRO A 18 3.795 10.415 -1.362 1.00 0.00 C ATOM 212 CG PRO A 18 4.894 9.707 -2.076 1.00 0.00 C ATOM 213 CD PRO A 18 5.953 10.742 -2.338 1.00 0.00 C ATOM 0 HA PRO A 18 3.922 12.399 -0.401 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.226 9.730 -0.733 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.091 10.863 -2.063 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.288 8.890 -1.472 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.536 9.271 -3.008 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.953 10.310 -2.307 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.833 11.200 -3.320 1.00 0.00 H new ATOM 221 N ASP A 19 3.982 11.499 1.844 1.00 0.00 N ATOM 222 CA ASP A 19 4.115 11.096 3.240 1.00 0.00 C ATOM 223 C ASP A 19 3.484 9.727 3.472 1.00 0.00 C ATOM 224 O ASP A 19 2.628 9.286 2.705 1.00 0.00 O ATOM 225 CB ASP A 19 3.465 12.134 4.156 1.00 0.00 C ATOM 226 CG ASP A 19 4.134 12.206 5.515 1.00 0.00 C ATOM 227 OD1 ASP A 19 5.349 12.488 5.564 1.00 0.00 O ATOM 228 OD2 ASP A 19 3.441 11.981 6.530 1.00 0.00 O ATOM 0 H ASP A 19 3.264 12.204 1.675 1.00 0.00 H new ATOM 0 HA ASP A 19 5.177 11.031 3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.510 13.113 3.680 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.410 11.890 4.286 1.00 0.00 H new ATOM 233 N THR A 20 3.914 9.056 4.537 1.00 0.00 N ATOM 234 CA THR A 20 3.393 7.736 4.870 1.00 0.00 C ATOM 235 C THR A 20 1.873 7.704 4.771 1.00 0.00 C ATOM 236 O THR A 20 1.171 8.532 5.352 1.00 0.00 O ATOM 237 CB THR A 20 3.814 7.308 6.289 1.00 0.00 C ATOM 238 OG1 THR A 20 5.112 7.831 6.594 1.00 0.00 O ATOM 239 CG2 THR A 20 3.830 5.792 6.414 1.00 0.00 C ATOM 0 H THR A 20 4.622 9.405 5.183 1.00 0.00 H new ATOM 0 HA THR A 20 3.815 7.038 4.148 1.00 0.00 H new ATOM 0 HB THR A 20 3.087 7.708 6.996 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.371 7.556 7.498 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.130 5.513 7.424 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.834 5.400 6.210 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.538 5.375 5.697 1.00 0.00 H new ATOM 247 N PRO A 21 1.348 6.725 4.020 1.00 0.00 N ATOM 248 CA PRO A 21 -0.096 6.560 3.829 1.00 0.00 C ATOM 249 C PRO A 21 -0.799 6.095 5.099 1.00 0.00 C ATOM 250 O PRO A 21 -0.190 5.466 5.965 1.00 0.00 O ATOM 251 CB PRO A 21 -0.190 5.487 2.742 1.00 0.00 C ATOM 252 CG PRO A 21 1.079 4.715 2.861 1.00 0.00 C ATOM 253 CD PRO A 21 2.125 5.702 3.299 1.00 0.00 C ATOM 0 HA PRO A 21 -0.582 7.499 3.563 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.059 4.846 2.892 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.291 5.933 1.753 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.978 3.907 3.585 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.348 4.258 1.909 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.872 5.237 3.943 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.658 6.127 2.448 1.00 0.00 H new ATOM 261 N THR A 22 -2.087 6.408 5.205 1.00 0.00 N ATOM 262 CA THR A 22 -2.874 6.023 6.370 1.00 0.00 C ATOM 263 C THR A 22 -3.201 4.534 6.345 1.00 0.00 C ATOM 264 O THR A 22 -2.779 3.812 5.442 1.00 0.00 O ATOM 265 CB THR A 22 -4.187 6.824 6.452 1.00 0.00 C ATOM 266 OG1 THR A 22 -4.025 8.096 5.813 1.00 0.00 O ATOM 267 CG2 THR A 22 -4.607 7.028 7.900 1.00 0.00 C ATOM 0 H THR A 22 -2.607 6.927 4.498 1.00 0.00 H new ATOM 0 HA THR A 22 -2.267 6.245 7.248 1.00 0.00 H new ATOM 0 HB THR A 22 -4.965 6.257 5.941 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.864 8.599 5.868 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.537 7.596 7.933 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.757 6.059 8.375 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.828 7.576 8.431 1.00 0.00 H new ATOM 275 N ARG A 23 -3.956 4.082 7.341 1.00 0.00 N ATOM 276 CA ARG A 23 -4.339 2.678 7.433 1.00 0.00 C ATOM 277 C ARG A 23 -5.021 2.216 6.148 1.00 0.00 C ATOM 278 O ARG A 23 -5.571 3.024 5.398 1.00 0.00 O ATOM 279 CB ARG A 23 -5.273 2.459 8.625 1.00 0.00 C ATOM 280 CG ARG A 23 -6.647 3.082 8.445 1.00 0.00 C ATOM 281 CD ARG A 23 -7.634 2.091 7.848 1.00 0.00 C ATOM 282 NE ARG A 23 -9.011 2.392 8.231 1.00 0.00 N ATOM 283 CZ ARG A 23 -9.977 1.481 8.276 1.00 0.00 C ATOM 284 NH1 ARG A 23 -9.717 0.219 7.965 1.00 0.00 N ATOM 285 NH2 ARG A 23 -11.205 1.833 8.634 1.00 0.00 N ATOM 0 H ARG A 23 -4.315 4.667 8.095 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.433 2.089 7.577 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.388 1.388 8.793 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.810 2.874 9.520 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.018 3.431 9.408 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.570 3.955 7.797 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.549 2.104 6.761 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.379 1.083 8.175 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.244 3.354 8.477 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.774 -0.055 7.690 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.460 -0.479 8.000 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.408 2.803 8.875 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.946 1.133 8.668 1.00 0.00 H new ATOM 299 N LEU A 24 -4.980 0.912 5.899 1.00 0.00 N ATOM 300 CA LEU A 24 -5.593 0.341 4.705 1.00 0.00 C ATOM 301 C LEU A 24 -6.942 -0.291 5.034 1.00 0.00 C ATOM 302 O LEU A 24 -7.289 -0.467 6.202 1.00 0.00 O ATOM 303 CB LEU A 24 -4.666 -0.704 4.081 1.00 0.00 C ATOM 304 CG LEU A 24 -3.168 -0.480 4.288 1.00 0.00 C ATOM 305 CD1 LEU A 24 -2.374 -1.670 3.771 1.00 0.00 C ATOM 306 CD2 LEU A 24 -2.720 0.801 3.599 1.00 0.00 C ATOM 0 H LEU A 24 -4.529 0.230 6.508 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.755 1.147 3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.927 -1.681 4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.863 -0.742 3.010 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.980 -0.380 5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.310 -1.493 3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.675 -2.569 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.568 -1.802 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.651 0.944 3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.923 0.729 2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.265 1.648 4.016 1.00 0.00 H new ATOM 318 N VAL A 25 -7.699 -0.632 3.996 1.00 0.00 N ATOM 319 CA VAL A 25 -9.008 -1.248 4.174 1.00 0.00 C ATOM 320 C VAL A 25 -9.132 -2.525 3.351 1.00 0.00 C ATOM 321 O VAL A 25 -9.059 -2.495 2.123 1.00 0.00 O ATOM 322 CB VAL A 25 -10.141 -0.283 3.777 1.00 0.00 C ATOM 323 CG1 VAL A 25 -11.472 -1.017 3.718 1.00 0.00 C ATOM 324 CG2 VAL A 25 -10.210 0.886 4.747 1.00 0.00 C ATOM 0 H VAL A 25 -7.428 -0.492 3.023 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.101 -1.491 5.232 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.927 0.111 2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.260 -0.319 3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.414 -1.817 2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.697 -1.442 4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.016 1.557 4.451 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.400 0.513 5.753 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.264 1.427 4.733 1.00 0.00 H new ATOM 334 N PHE A 26 -9.319 -3.648 4.037 1.00 0.00 N ATOM 335 CA PHE A 26 -9.452 -4.938 3.369 1.00 0.00 C ATOM 336 C PHE A 26 -10.911 -5.386 3.336 1.00 0.00 C ATOM 337 O PHE A 26 -11.621 -5.296 4.337 1.00 0.00 O ATOM 338 CB PHE A 26 -8.599 -5.993 4.077 1.00 0.00 C ATOM 339 CG PHE A 26 -7.191 -5.545 4.344 1.00 0.00 C ATOM 340 CD1 PHE A 26 -6.889 -4.802 5.474 1.00 0.00 C ATOM 341 CD2 PHE A 26 -6.169 -5.866 3.465 1.00 0.00 C ATOM 342 CE1 PHE A 26 -5.594 -4.388 5.723 1.00 0.00 C ATOM 343 CE2 PHE A 26 -4.872 -5.455 3.709 1.00 0.00 C ATOM 344 CZ PHE A 26 -4.584 -4.714 4.839 1.00 0.00 C ATOM 0 H PHE A 26 -9.382 -3.691 5.054 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.101 -4.826 2.343 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.073 -6.257 5.022 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.575 -6.897 3.469 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.675 -4.543 6.168 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.388 -6.444 2.579 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.372 -3.810 6.608 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.084 -5.713 3.017 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.572 -4.390 5.031 1.00 0.00 H new ATOM 354 N SER A 27 -11.350 -5.867 2.178 1.00 0.00 N ATOM 355 CA SER A 27 -12.724 -6.324 2.012 1.00 0.00 C ATOM 356 C SER A 27 -12.804 -7.846 2.089 1.00 0.00 C ATOM 357 O SER A 27 -13.770 -8.402 2.609 1.00 0.00 O ATOM 358 CB SER A 27 -13.287 -5.840 0.674 1.00 0.00 C ATOM 359 OG SER A 27 -14.691 -6.024 0.615 1.00 0.00 O ATOM 0 H SER A 27 -10.774 -5.950 1.340 1.00 0.00 H new ATOM 0 HA SER A 27 -13.320 -5.905 2.822 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.049 -4.785 0.536 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.811 -6.383 -0.142 1.00 0.00 H new ATOM 0 HG SER A 27 -15.027 -5.706 -0.249 1.00 0.00 H new ATOM 365 N ALA A 28 -11.779 -8.512 1.567 1.00 0.00 N ATOM 366 CA ALA A 28 -11.731 -9.969 1.578 1.00 0.00 C ATOM 367 C ALA A 28 -12.910 -10.563 0.815 1.00 0.00 C ATOM 368 O ALA A 28 -13.634 -11.414 1.335 1.00 0.00 O ATOM 369 CB ALA A 28 -11.711 -10.486 3.009 1.00 0.00 C ATOM 0 H ALA A 28 -10.971 -8.066 1.132 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.814 -10.281 1.078 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.675 -11.575 3.002 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.832 -10.097 3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.611 -10.156 3.528 1.00 0.00 H new ATOM 375 N LEU A 29 -13.099 -10.110 -0.419 1.00 0.00 N ATOM 376 CA LEU A 29 -14.192 -10.597 -1.254 1.00 0.00 C ATOM 377 C LEU A 29 -14.377 -12.102 -1.086 1.00 0.00 C ATOM 378 O LEU A 29 -15.483 -12.621 -1.226 1.00 0.00 O ATOM 379 CB LEU A 29 -13.926 -10.265 -2.723 1.00 0.00 C ATOM 380 CG LEU A 29 -13.767 -8.781 -3.057 1.00 0.00 C ATOM 381 CD1 LEU A 29 -14.609 -7.930 -2.120 1.00 0.00 C ATOM 382 CD2 LEU A 29 -12.303 -8.371 -2.982 1.00 0.00 C ATOM 0 H LEU A 29 -12.510 -9.406 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.108 -10.099 -0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.021 -10.786 -3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -14.746 -10.666 -3.320 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.117 -8.618 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.483 -6.877 -2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.659 -8.205 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.290 -8.097 -1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.209 -7.312 -3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.926 -8.549 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.724 -8.958 -3.695 1.00 0.00 H new ATOM 394 N GLY A 30 -13.284 -12.797 -0.785 1.00 0.00 N ATOM 395 CA GLY A 30 -13.347 -14.235 -0.601 1.00 0.00 C ATOM 396 C GLY A 30 -12.080 -14.798 0.011 1.00 0.00 C ATOM 397 O GLY A 30 -11.231 -14.064 0.517 1.00 0.00 O ATOM 0 H GLY A 30 -12.356 -12.390 -0.665 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.195 -14.479 0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.525 -14.714 -1.564 1.00 0.00 H new ATOM 401 N PRO A 31 -11.940 -16.131 -0.029 1.00 0.00 N ATOM 402 CA PRO A 31 -10.770 -16.821 0.523 1.00 0.00 C ATOM 403 C PRO A 31 -9.508 -16.566 -0.294 1.00 0.00 C ATOM 404 O PRO A 31 -8.395 -16.618 0.231 1.00 0.00 O ATOM 405 CB PRO A 31 -11.164 -18.299 0.452 1.00 0.00 C ATOM 406 CG PRO A 31 -12.164 -18.372 -0.650 1.00 0.00 C ATOM 407 CD PRO A 31 -12.913 -17.068 -0.616 1.00 0.00 C ATOM 0 HA PRO A 31 -10.531 -16.477 1.529 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.299 -18.930 0.244 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.589 -18.641 1.396 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.674 -18.516 -1.613 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -12.841 -19.215 -0.508 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -13.221 -16.755 -1.614 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -13.817 -17.140 -0.011 1.00 0.00 H new ATOM 415 N THR A 32 -9.688 -16.290 -1.582 1.00 0.00 N ATOM 416 CA THR A 32 -8.563 -16.027 -2.471 1.00 0.00 C ATOM 417 C THR A 32 -8.689 -14.656 -3.126 1.00 0.00 C ATOM 418 O THR A 32 -8.075 -14.394 -4.160 1.00 0.00 O ATOM 419 CB THR A 32 -8.454 -17.101 -3.571 1.00 0.00 C ATOM 420 OG1 THR A 32 -9.729 -17.295 -4.193 1.00 0.00 O ATOM 421 CG2 THR A 32 -7.960 -18.418 -2.994 1.00 0.00 C ATOM 0 H THR A 32 -10.602 -16.243 -2.033 1.00 0.00 H new ATOM 0 HA THR A 32 -7.662 -16.052 -1.858 1.00 0.00 H new ATOM 0 HB THR A 32 -7.736 -16.757 -4.315 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.652 -17.978 -4.892 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.891 -19.161 -3.789 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.977 -18.273 -2.547 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.658 -18.766 -2.232 1.00 0.00 H new ATOM 429 N SER A 33 -9.487 -13.786 -2.517 1.00 0.00 N ATOM 430 CA SER A 33 -9.695 -12.441 -3.043 1.00 0.00 C ATOM 431 C SER A 33 -9.680 -11.410 -1.919 1.00 0.00 C ATOM 432 O SER A 33 -10.059 -11.705 -0.784 1.00 0.00 O ATOM 433 CB SER A 33 -11.022 -12.367 -3.801 1.00 0.00 C ATOM 434 OG SER A 33 -12.042 -13.072 -3.114 1.00 0.00 O ATOM 0 H SER A 33 -10.000 -13.987 -1.659 1.00 0.00 H new ATOM 0 HA SER A 33 -8.879 -12.216 -3.730 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.316 -11.325 -3.925 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.897 -12.784 -4.800 1.00 0.00 H new ATOM 0 HG SER A 33 -12.880 -13.008 -3.618 1.00 0.00 H new ATOM 440 N LEU A 34 -9.240 -10.199 -2.242 1.00 0.00 N ATOM 441 CA LEU A 34 -9.176 -9.121 -1.261 1.00 0.00 C ATOM 442 C LEU A 34 -9.225 -7.759 -1.944 1.00 0.00 C ATOM 443 O LEU A 34 -9.083 -7.659 -3.163 1.00 0.00 O ATOM 444 CB LEU A 34 -7.898 -9.240 -0.427 1.00 0.00 C ATOM 445 CG LEU A 34 -8.013 -10.050 0.865 1.00 0.00 C ATOM 446 CD1 LEU A 34 -6.692 -10.730 1.188 1.00 0.00 C ATOM 447 CD2 LEU A 34 -8.450 -9.156 2.017 1.00 0.00 C ATOM 0 H LEU A 34 -8.922 -9.939 -3.176 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.042 -9.209 -0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.124 -9.691 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.558 -8.236 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.770 -10.821 0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.793 -11.302 2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.419 -11.401 0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.915 -9.976 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.527 -9.749 2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.716 -8.363 2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.420 -8.715 1.788 1.00 0.00 H new ATOM 459 N ARG A 35 -9.426 -6.711 -1.150 1.00 0.00 N ATOM 460 CA ARG A 35 -9.493 -5.354 -1.679 1.00 0.00 C ATOM 461 C ARG A 35 -8.863 -4.361 -0.707 1.00 0.00 C ATOM 462 O ARG A 35 -9.452 -4.023 0.320 1.00 0.00 O ATOM 463 CB ARG A 35 -10.946 -4.963 -1.955 1.00 0.00 C ATOM 464 CG ARG A 35 -11.100 -3.571 -2.545 1.00 0.00 C ATOM 465 CD ARG A 35 -12.560 -3.150 -2.606 1.00 0.00 C ATOM 466 NE ARG A 35 -12.732 -1.863 -3.275 1.00 0.00 N ATOM 467 CZ ARG A 35 -12.611 -0.693 -2.658 1.00 0.00 C ATOM 468 NH1 ARG A 35 -12.318 -0.648 -1.366 1.00 0.00 N ATOM 469 NH2 ARG A 35 -12.781 0.436 -3.335 1.00 0.00 N ATOM 0 H ARG A 35 -9.545 -6.776 -0.139 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.933 -5.326 -2.614 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.385 -5.689 -2.639 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.511 -5.019 -1.025 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.539 -2.856 -1.944 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.672 -3.550 -3.547 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.135 -3.912 -3.133 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -12.962 -3.089 -1.595 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.957 -1.863 -4.270 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -12.185 -1.513 -0.843 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -12.226 0.252 -0.895 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.005 0.405 -4.330 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -12.688 1.334 -2.861 1.00 0.00 H new ATOM 483 N VAL A 36 -7.663 -3.896 -1.039 1.00 0.00 N ATOM 484 CA VAL A 36 -6.953 -2.941 -0.196 1.00 0.00 C ATOM 485 C VAL A 36 -7.205 -1.509 -0.656 1.00 0.00 C ATOM 486 O VAL A 36 -7.048 -1.188 -1.834 1.00 0.00 O ATOM 487 CB VAL A 36 -5.437 -3.209 -0.198 1.00 0.00 C ATOM 488 CG1 VAL A 36 -4.680 -2.002 0.335 1.00 0.00 C ATOM 489 CG2 VAL A 36 -5.115 -4.453 0.618 1.00 0.00 C ATOM 0 H VAL A 36 -7.162 -4.165 -1.886 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.335 -3.068 0.817 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.118 -3.383 -1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.610 -2.210 0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.886 -1.136 -0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.000 -1.793 1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.039 -4.628 0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.448 -4.310 1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.627 -5.313 0.187 1.00 0.00 H new ATOM 499 N SER A 37 -7.597 -0.652 0.282 1.00 0.00 N ATOM 500 CA SER A 37 -7.874 0.745 -0.027 1.00 0.00 C ATOM 501 C SER A 37 -7.181 1.670 0.969 1.00 0.00 C ATOM 502 O SER A 37 -7.276 1.477 2.181 1.00 0.00 O ATOM 503 CB SER A 37 -9.382 1.003 -0.016 1.00 0.00 C ATOM 504 OG SER A 37 -9.662 2.385 0.124 1.00 0.00 O ATOM 0 H SER A 37 -7.730 -0.901 1.262 1.00 0.00 H new ATOM 0 HA SER A 37 -7.484 0.955 -1.023 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.824 0.631 -0.940 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.843 0.451 0.803 1.00 0.00 H new ATOM 0 HG SER A 37 -9.141 2.893 -0.533 1.00 0.00 H new ATOM 510 N TRP A 38 -6.484 2.674 0.449 1.00 0.00 N ATOM 511 CA TRP A 38 -5.775 3.629 1.292 1.00 0.00 C ATOM 512 C TRP A 38 -6.314 5.040 1.088 1.00 0.00 C ATOM 513 O TRP A 38 -7.284 5.244 0.359 1.00 0.00 O ATOM 514 CB TRP A 38 -4.276 3.594 0.988 1.00 0.00 C ATOM 515 CG TRP A 38 -3.964 3.696 -0.474 1.00 0.00 C ATOM 516 CD1 TRP A 38 -3.444 4.777 -1.128 1.00 0.00 C ATOM 517 CD2 TRP A 38 -4.153 2.679 -1.464 1.00 0.00 C ATOM 518 NE1 TRP A 38 -3.299 4.493 -2.465 1.00 0.00 N ATOM 519 CE2 TRP A 38 -3.726 3.212 -2.696 1.00 0.00 C ATOM 520 CE3 TRP A 38 -4.640 1.370 -1.430 1.00 0.00 C ATOM 521 CZ2 TRP A 38 -3.774 2.481 -3.880 1.00 0.00 C ATOM 522 CZ3 TRP A 38 -4.686 0.645 -2.606 1.00 0.00 C ATOM 523 CH2 TRP A 38 -4.255 1.201 -3.817 1.00 0.00 C ATOM 0 H TRP A 38 -6.395 2.848 -0.552 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.935 3.346 2.332 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.787 4.413 1.515 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.855 2.667 1.378 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.185 5.717 -0.663 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.933 5.132 -3.171 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.975 0.932 -0.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.443 2.909 -4.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -5.061 -0.368 -2.591 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.303 0.608 -4.719 1.00 0.00 H new ATOM 534 N GLN A 39 -5.679 6.011 1.737 1.00 0.00 N ATOM 535 CA GLN A 39 -6.097 7.404 1.626 1.00 0.00 C ATOM 536 C GLN A 39 -4.993 8.256 1.008 1.00 0.00 C ATOM 537 O GLN A 39 -3.860 8.262 1.487 1.00 0.00 O ATOM 538 CB GLN A 39 -6.474 7.956 3.002 1.00 0.00 C ATOM 539 CG GLN A 39 -7.199 9.291 2.943 1.00 0.00 C ATOM 540 CD GLN A 39 -8.665 9.144 2.586 1.00 0.00 C ATOM 541 OE1 GLN A 39 -9.015 8.463 1.622 1.00 0.00 O ATOM 542 NE2 GLN A 39 -9.531 9.785 3.362 1.00 0.00 N ATOM 0 H GLN A 39 -4.874 5.859 2.345 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.970 7.445 0.974 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -7.106 7.231 3.515 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.569 8.069 3.599 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.112 9.790 3.908 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.713 9.932 2.208 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.196 10.338 4.151 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.531 9.724 3.169 1.00 0.00 H new ATOM 551 N GLU A 40 -5.333 8.974 -0.058 1.00 0.00 N ATOM 552 CA GLU A 40 -4.370 9.829 -0.742 1.00 0.00 C ATOM 553 C GLU A 40 -3.585 10.673 0.259 1.00 0.00 C ATOM 554 O GLU A 40 -4.090 11.647 0.817 1.00 0.00 O ATOM 555 CB GLU A 40 -5.083 10.738 -1.744 1.00 0.00 C ATOM 556 CG GLU A 40 -4.145 11.665 -2.499 1.00 0.00 C ATOM 557 CD GLU A 40 -4.842 12.911 -3.010 1.00 0.00 C ATOM 558 OE1 GLU A 40 -4.890 13.912 -2.264 1.00 0.00 O ATOM 559 OE2 GLU A 40 -5.340 12.886 -4.155 1.00 0.00 O ATOM 0 H GLU A 40 -6.268 8.981 -0.466 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.670 9.188 -1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.625 10.121 -2.461 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.824 11.337 -1.215 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.323 11.956 -1.845 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.708 11.127 -3.340 1.00 0.00 H new ATOM 566 N PRO A 41 -2.321 10.290 0.492 1.00 0.00 N ATOM 567 CA PRO A 41 -1.440 10.997 1.426 1.00 0.00 C ATOM 568 C PRO A 41 -1.032 12.373 0.909 1.00 0.00 C ATOM 569 O PRO A 41 -1.287 12.713 -0.246 1.00 0.00 O ATOM 570 CB PRO A 41 -0.219 10.079 1.525 1.00 0.00 C ATOM 571 CG PRO A 41 -0.212 9.318 0.245 1.00 0.00 C ATOM 572 CD PRO A 41 -1.655 9.138 -0.138 1.00 0.00 C ATOM 0 HA PRO A 41 -1.927 11.186 2.383 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.699 10.653 1.649 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.295 9.410 2.383 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.332 9.860 -0.528 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.283 8.354 0.367 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.787 9.140 -1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.054 8.193 0.230 1.00 0.00 H new ATOM 580 N ARG A 42 -0.396 13.159 1.772 1.00 0.00 N ATOM 581 CA ARG A 42 0.046 14.498 1.402 1.00 0.00 C ATOM 582 C ARG A 42 1.346 14.440 0.604 1.00 0.00 C ATOM 583 O ARG A 42 2.163 13.538 0.794 1.00 0.00 O ATOM 584 CB ARG A 42 0.242 15.358 2.652 1.00 0.00 C ATOM 585 CG ARG A 42 1.472 14.984 3.462 1.00 0.00 C ATOM 586 CD ARG A 42 1.658 15.911 4.653 1.00 0.00 C ATOM 587 NE ARG A 42 2.776 15.499 5.498 1.00 0.00 N ATOM 588 CZ ARG A 42 4.050 15.689 5.176 1.00 0.00 C ATOM 589 NH1 ARG A 42 4.367 16.282 4.033 1.00 0.00 N ATOM 590 NH2 ARG A 42 5.011 15.286 5.998 1.00 0.00 N ATOM 0 H ARG A 42 -0.176 12.892 2.731 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.725 14.948 0.777 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.317 16.404 2.355 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.641 15.269 3.286 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.380 13.955 3.811 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.355 15.027 2.825 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.827 16.928 4.298 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.743 15.928 5.245 1.00 0.00 H new ATOM 0 HE ARG A 42 2.566 15.040 6.384 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.631 16.593 3.399 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.347 16.427 3.788 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.771 14.830 6.878 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.989 15.433 5.750 1.00 0.00 H new ATOM 604 N CYS A 43 1.529 15.406 -0.289 1.00 0.00 N ATOM 605 CA CYS A 43 2.728 15.464 -1.118 1.00 0.00 C ATOM 606 C CYS A 43 2.778 16.766 -1.911 1.00 0.00 C ATOM 607 O CYS A 43 1.887 17.050 -2.711 1.00 0.00 O ATOM 608 CB CYS A 43 2.773 14.270 -2.071 1.00 0.00 C ATOM 609 SG CYS A 43 4.436 13.838 -2.636 1.00 0.00 S ATOM 0 H CYS A 43 0.863 16.160 -0.458 1.00 0.00 H new ATOM 0 HA CYS A 43 3.596 15.427 -0.460 1.00 0.00 H new ATOM 0 HB2 CYS A 43 2.334 13.405 -1.574 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.151 14.488 -2.939 1.00 0.00 H new ATOM 0 HG CYS A 43 5.302 14.640 -2.090 1.00 0.00 H new ATOM 615 N GLU A 44 3.825 17.553 -1.683 1.00 0.00 N ATOM 616 CA GLU A 44 3.989 18.825 -2.375 1.00 0.00 C ATOM 617 C GLU A 44 3.694 18.676 -3.865 1.00 0.00 C ATOM 618 O GLU A 44 3.144 19.581 -4.493 1.00 0.00 O ATOM 619 CB GLU A 44 5.409 19.361 -2.176 1.00 0.00 C ATOM 620 CG GLU A 44 5.612 20.066 -0.846 1.00 0.00 C ATOM 621 CD GLU A 44 6.782 21.030 -0.870 1.00 0.00 C ATOM 622 OE1 GLU A 44 7.935 20.561 -0.979 1.00 0.00 O ATOM 623 OE2 GLU A 44 6.546 22.253 -0.780 1.00 0.00 O ATOM 0 H GLU A 44 4.572 17.332 -1.024 1.00 0.00 H new ATOM 0 HA GLU A 44 3.278 19.534 -1.950 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.114 18.533 -2.250 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.644 20.054 -2.984 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.704 20.609 -0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.775 19.322 -0.066 1.00 0.00 H new ATOM 630 N ARG A 45 4.065 17.529 -4.424 1.00 0.00 N ATOM 631 CA ARG A 45 3.842 17.261 -5.839 1.00 0.00 C ATOM 632 C ARG A 45 2.695 16.273 -6.032 1.00 0.00 C ATOM 633 O ARG A 45 2.403 15.447 -5.167 1.00 0.00 O ATOM 634 CB ARG A 45 5.116 16.711 -6.483 1.00 0.00 C ATOM 635 CG ARG A 45 6.314 17.638 -6.352 1.00 0.00 C ATOM 636 CD ARG A 45 6.014 19.018 -6.915 1.00 0.00 C ATOM 637 NE ARG A 45 7.161 19.915 -6.805 1.00 0.00 N ATOM 638 CZ ARG A 45 8.196 19.890 -7.638 1.00 0.00 C ATOM 639 NH1 ARG A 45 8.227 19.018 -8.636 1.00 0.00 N ATOM 640 NH2 ARG A 45 9.203 20.738 -7.473 1.00 0.00 N ATOM 0 H ARG A 45 4.522 16.770 -3.918 1.00 0.00 H new ATOM 0 HA ARG A 45 3.575 18.201 -6.323 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.358 15.751 -6.027 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.927 16.523 -7.540 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.595 17.725 -5.302 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.168 17.208 -6.876 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.724 18.927 -7.962 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.165 19.449 -6.385 1.00 0.00 H new ATOM 0 HE ARG A 45 7.168 20.598 -6.047 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.455 18.364 -8.766 1.00 0.00 H new ATOM 0 HH12 ARG A 45 9.023 19.001 -9.274 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.183 21.410 -6.706 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.997 20.718 -8.113 1.00 0.00 H new ATOM 654 N PRO A 46 2.028 16.360 -7.192 1.00 0.00 N ATOM 655 CA PRO A 46 0.902 15.481 -7.526 1.00 0.00 C ATOM 656 C PRO A 46 1.343 14.043 -7.774 1.00 0.00 C ATOM 657 O PRO A 46 2.203 13.782 -8.616 1.00 0.00 O ATOM 658 CB PRO A 46 0.341 16.097 -8.810 1.00 0.00 C ATOM 659 CG PRO A 46 1.492 16.820 -9.419 1.00 0.00 C ATOM 660 CD PRO A 46 2.321 17.321 -8.269 1.00 0.00 C ATOM 0 HA PRO A 46 0.178 15.420 -6.714 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.044 15.330 -9.481 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.484 16.776 -8.595 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.074 16.158 -10.060 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.149 17.646 -10.042 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.383 17.336 -8.516 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.045 18.337 -7.987 1.00 0.00 H new ATOM 668 N LEU A 47 0.749 13.112 -7.035 1.00 0.00 N ATOM 669 CA LEU A 47 1.081 11.698 -7.175 1.00 0.00 C ATOM 670 C LEU A 47 0.864 11.228 -8.610 1.00 0.00 C ATOM 671 O LEU A 47 -0.014 11.728 -9.311 1.00 0.00 O ATOM 672 CB LEU A 47 0.233 10.858 -6.218 1.00 0.00 C ATOM 673 CG LEU A 47 0.244 11.295 -4.753 1.00 0.00 C ATOM 674 CD1 LEU A 47 -0.975 10.750 -4.024 1.00 0.00 C ATOM 675 CD2 LEU A 47 1.525 10.837 -4.070 1.00 0.00 C ATOM 0 H LEU A 47 0.036 13.310 -6.333 1.00 0.00 H new ATOM 0 HA LEU A 47 2.134 11.570 -6.925 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.798 10.869 -6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.577 9.825 -6.271 1.00 0.00 H new ATOM 0 HG LEU A 47 0.206 12.384 -4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.950 11.071 -2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.881 11.127 -4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.968 9.661 -4.068 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.516 11.157 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.593 9.750 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.384 11.276 -4.577 1.00 0.00 H new ATOM 687 N GLN A 48 1.670 10.261 -9.039 1.00 0.00 N ATOM 688 CA GLN A 48 1.566 9.723 -10.389 1.00 0.00 C ATOM 689 C GLN A 48 0.859 8.371 -10.383 1.00 0.00 C ATOM 690 O GLN A 48 0.295 7.950 -11.392 1.00 0.00 O ATOM 691 CB GLN A 48 2.955 9.582 -11.014 1.00 0.00 C ATOM 692 CG GLN A 48 3.761 10.871 -11.001 1.00 0.00 C ATOM 693 CD GLN A 48 3.557 11.700 -12.254 1.00 0.00 C ATOM 694 OE1 GLN A 48 2.484 12.264 -12.472 1.00 0.00 O ATOM 695 NE2 GLN A 48 4.589 11.779 -13.086 1.00 0.00 N ATOM 0 H GLN A 48 2.402 9.835 -8.470 1.00 0.00 H new ATOM 0 HA GLN A 48 0.976 10.419 -10.985 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.509 8.811 -10.478 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.848 9.240 -12.044 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.480 11.462 -10.129 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.819 10.632 -10.896 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.460 11.296 -12.866 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.511 12.323 -13.945 1.00 0.00 H new ATOM 704 N GLY A 49 0.894 7.695 -9.239 1.00 0.00 N ATOM 705 CA GLY A 49 0.254 6.398 -9.123 1.00 0.00 C ATOM 706 C GLY A 49 0.318 5.844 -7.714 1.00 0.00 C ATOM 707 O GLY A 49 0.353 6.600 -6.742 1.00 0.00 O ATOM 0 H GLY A 49 1.355 8.023 -8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.788 6.482 -9.430 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.733 5.698 -9.808 1.00 0.00 H new ATOM 711 N TYR A 50 0.333 4.520 -7.601 1.00 0.00 N ATOM 712 CA TYR A 50 0.389 3.865 -6.299 1.00 0.00 C ATOM 713 C TYR A 50 1.014 2.478 -6.414 1.00 0.00 C ATOM 714 O TYR A 50 1.192 1.954 -7.514 1.00 0.00 O ATOM 715 CB TYR A 50 -1.014 3.756 -5.699 1.00 0.00 C ATOM 716 CG TYR A 50 -1.496 5.033 -5.050 1.00 0.00 C ATOM 717 CD1 TYR A 50 -0.838 5.567 -3.949 1.00 0.00 C ATOM 718 CD2 TYR A 50 -2.610 5.706 -5.537 1.00 0.00 C ATOM 719 CE1 TYR A 50 -1.276 6.734 -3.352 1.00 0.00 C ATOM 720 CE2 TYR A 50 -3.053 6.874 -4.948 1.00 0.00 C ATOM 721 CZ TYR A 50 -2.383 7.384 -3.856 1.00 0.00 C ATOM 722 OH TYR A 50 -2.822 8.546 -3.265 1.00 0.00 O ATOM 0 H TYR A 50 0.307 3.880 -8.395 1.00 0.00 H new ATOM 0 HA TYR A 50 1.012 4.471 -5.642 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.714 3.470 -6.484 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.022 2.956 -4.958 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.030 5.062 -3.553 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.139 5.309 -6.391 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.754 7.135 -2.496 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.920 7.385 -5.341 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.611 8.877 -3.742 1.00 0.00 H new ATOM 732 N SER A 51 1.346 1.889 -5.270 1.00 0.00 N ATOM 733 CA SER A 51 1.955 0.564 -5.240 1.00 0.00 C ATOM 734 C SER A 51 1.404 -0.261 -4.081 1.00 0.00 C ATOM 735 O SER A 51 1.314 0.218 -2.950 1.00 0.00 O ATOM 736 CB SER A 51 3.475 0.681 -5.121 1.00 0.00 C ATOM 737 OG SER A 51 4.065 -0.580 -4.858 1.00 0.00 O ATOM 0 H SER A 51 1.204 2.308 -4.351 1.00 0.00 H new ATOM 0 HA SER A 51 1.709 0.057 -6.173 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.884 1.092 -6.044 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.728 1.378 -4.322 1.00 0.00 H new ATOM 0 HG SER A 51 5.037 -0.478 -4.788 1.00 0.00 H new ATOM 743 N VAL A 52 1.037 -1.505 -4.370 1.00 0.00 N ATOM 744 CA VAL A 52 0.496 -2.399 -3.353 1.00 0.00 C ATOM 745 C VAL A 52 1.257 -3.720 -3.321 1.00 0.00 C ATOM 746 O VAL A 52 0.978 -4.626 -4.105 1.00 0.00 O ATOM 747 CB VAL A 52 -0.998 -2.685 -3.594 1.00 0.00 C ATOM 748 CG1 VAL A 52 -1.566 -3.537 -2.470 1.00 0.00 C ATOM 749 CG2 VAL A 52 -1.773 -1.383 -3.732 1.00 0.00 C ATOM 0 H VAL A 52 1.104 -1.917 -5.301 1.00 0.00 H new ATOM 0 HA VAL A 52 0.611 -1.894 -2.394 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.099 -3.242 -4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.623 -3.729 -2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.028 -4.484 -2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.455 -3.010 -1.522 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.827 -1.603 -3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.667 -0.798 -2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.381 -0.814 -4.575 1.00 0.00 H new ATOM 759 N GLU A 53 2.219 -3.821 -2.410 1.00 0.00 N ATOM 760 CA GLU A 53 3.020 -5.032 -2.277 1.00 0.00 C ATOM 761 C GLU A 53 2.486 -5.917 -1.154 1.00 0.00 C ATOM 762 O GLU A 53 2.196 -5.439 -0.057 1.00 0.00 O ATOM 763 CB GLU A 53 4.484 -4.675 -2.008 1.00 0.00 C ATOM 764 CG GLU A 53 5.284 -4.397 -3.269 1.00 0.00 C ATOM 765 CD GLU A 53 6.408 -3.406 -3.040 1.00 0.00 C ATOM 766 OE1 GLU A 53 6.110 -2.222 -2.773 1.00 0.00 O ATOM 767 OE2 GLU A 53 7.585 -3.812 -3.128 1.00 0.00 O ATOM 0 H GLU A 53 2.463 -3.079 -1.753 1.00 0.00 H new ATOM 0 HA GLU A 53 2.955 -5.585 -3.214 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.523 -3.798 -1.363 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.954 -5.493 -1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.700 -5.332 -3.644 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.617 -4.012 -4.041 1.00 0.00 H new ATOM 774 N TYR A 54 2.360 -7.209 -1.436 1.00 0.00 N ATOM 775 CA TYR A 54 1.858 -8.161 -0.452 1.00 0.00 C ATOM 776 C TYR A 54 2.642 -9.468 -0.511 1.00 0.00 C ATOM 777 O TYR A 54 3.024 -9.927 -1.587 1.00 0.00 O ATOM 778 CB TYR A 54 0.372 -8.433 -0.687 1.00 0.00 C ATOM 779 CG TYR A 54 0.100 -9.320 -1.881 1.00 0.00 C ATOM 780 CD1 TYR A 54 0.277 -10.696 -1.803 1.00 0.00 C ATOM 781 CD2 TYR A 54 -0.333 -8.782 -3.086 1.00 0.00 C ATOM 782 CE1 TYR A 54 0.030 -11.510 -2.892 1.00 0.00 C ATOM 783 CE2 TYR A 54 -0.583 -9.589 -4.179 1.00 0.00 C ATOM 784 CZ TYR A 54 -0.400 -10.952 -4.077 1.00 0.00 C ATOM 785 OH TYR A 54 -0.647 -11.759 -5.164 1.00 0.00 O ATOM 0 H TYR A 54 2.599 -7.621 -2.338 1.00 0.00 H new ATOM 0 HA TYR A 54 1.988 -7.725 0.538 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.049 -8.899 0.204 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.145 -7.483 -0.825 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.613 -11.137 -0.876 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.477 -7.715 -3.170 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.173 -12.578 -2.815 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.920 -9.155 -5.109 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.943 -11.209 -5.919 1.00 0.00 H new ATOM 795 N GLN A 55 2.877 -10.062 0.655 1.00 0.00 N ATOM 796 CA GLN A 55 3.615 -11.317 0.737 1.00 0.00 C ATOM 797 C GLN A 55 3.264 -12.072 2.015 1.00 0.00 C ATOM 798 O GLN A 55 2.826 -11.477 3.000 1.00 0.00 O ATOM 799 CB GLN A 55 5.120 -11.052 0.684 1.00 0.00 C ATOM 800 CG GLN A 55 5.707 -10.606 2.014 1.00 0.00 C ATOM 801 CD GLN A 55 7.107 -10.043 1.874 1.00 0.00 C ATOM 802 OE1 GLN A 55 7.382 -8.919 2.294 1.00 0.00 O ATOM 803 NE2 GLN A 55 8.003 -10.824 1.282 1.00 0.00 N ATOM 0 H GLN A 55 2.567 -9.695 1.555 1.00 0.00 H new ATOM 0 HA GLN A 55 3.332 -11.933 -0.117 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.629 -11.959 0.358 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.320 -10.287 -0.066 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.058 -9.851 2.458 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.727 -11.453 2.700 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.732 -11.749 0.949 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.962 -10.499 1.161 1.00 0.00 H new ATOM 812 N LEU A 56 3.459 -13.386 1.992 1.00 0.00 N ATOM 813 CA LEU A 56 3.163 -14.224 3.150 1.00 0.00 C ATOM 814 C LEU A 56 3.705 -13.596 4.429 1.00 0.00 C ATOM 815 O LEU A 56 4.914 -13.416 4.581 1.00 0.00 O ATOM 816 CB LEU A 56 3.760 -15.619 2.960 1.00 0.00 C ATOM 817 CG LEU A 56 2.901 -16.616 2.181 1.00 0.00 C ATOM 818 CD1 LEU A 56 3.708 -17.858 1.834 1.00 0.00 C ATOM 819 CD2 LEU A 56 1.661 -16.989 2.979 1.00 0.00 C ATOM 0 H LEU A 56 3.821 -13.894 1.185 1.00 0.00 H new ATOM 0 HA LEU A 56 2.080 -14.308 3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.717 -15.516 2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.969 -16.040 3.943 1.00 0.00 H new ATOM 0 HG LEU A 56 2.582 -16.144 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.081 -18.556 1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.565 -17.576 1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.057 -18.333 2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.062 -17.699 2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.959 -17.442 3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.072 -16.093 3.176 1.00 0.00 H new ATOM 831 N LEU A 57 2.804 -13.266 5.348 1.00 0.00 N ATOM 832 CA LEU A 57 3.192 -12.660 6.617 1.00 0.00 C ATOM 833 C LEU A 57 4.509 -13.243 7.119 1.00 0.00 C ATOM 834 O LEU A 57 5.484 -12.519 7.318 1.00 0.00 O ATOM 835 CB LEU A 57 2.096 -12.872 7.663 1.00 0.00 C ATOM 836 CG LEU A 57 1.999 -11.810 8.758 1.00 0.00 C ATOM 837 CD1 LEU A 57 0.951 -12.201 9.789 1.00 0.00 C ATOM 838 CD2 LEU A 57 3.352 -11.604 9.423 1.00 0.00 C ATOM 0 H LEU A 57 1.800 -13.408 5.238 1.00 0.00 H new ATOM 0 HA LEU A 57 3.328 -11.591 6.454 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.136 -12.924 7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.256 -13.840 8.137 1.00 0.00 H new ATOM 0 HG LEU A 57 1.695 -10.869 8.299 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.896 -11.433 10.561 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.020 -12.297 9.303 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.225 -13.153 10.243 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.264 -10.844 10.200 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.685 -12.541 9.868 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.078 -11.278 8.678 1.00 0.00 H new ATOM 850 N ASN A 58 4.531 -14.557 7.319 1.00 0.00 N ATOM 851 CA ASN A 58 5.729 -15.238 7.796 1.00 0.00 C ATOM 852 C ASN A 58 6.861 -15.124 6.778 1.00 0.00 C ATOM 853 O ASN A 58 7.999 -14.817 7.131 1.00 0.00 O ATOM 854 CB ASN A 58 5.427 -16.711 8.076 1.00 0.00 C ATOM 855 CG ASN A 58 4.448 -17.300 7.078 1.00 0.00 C ATOM 856 OD1 ASN A 58 4.386 -16.871 5.926 1.00 0.00 O ATOM 857 ND2 ASN A 58 3.679 -18.289 7.518 1.00 0.00 N ATOM 0 H ASN A 58 3.733 -15.171 7.158 1.00 0.00 H new ATOM 0 HA ASN A 58 6.046 -14.757 8.721 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.356 -17.281 8.050 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.020 -16.811 9.082 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.002 -18.726 6.892 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.765 -18.612 8.482 1.00 0.00 H new ATOM 864 N GLY A 59 6.539 -15.374 5.513 1.00 0.00 N ATOM 865 CA GLY A 59 7.538 -15.294 4.463 1.00 0.00 C ATOM 866 C GLY A 59 7.196 -16.165 3.270 1.00 0.00 C ATOM 867 O GLY A 59 6.597 -17.228 3.420 1.00 0.00 O ATOM 0 H GLY A 59 5.604 -15.631 5.196 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.636 -14.259 4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.506 -15.595 4.863 1.00 0.00 H new ATOM 871 N GLY A 60 7.577 -15.711 2.080 1.00 0.00 N ATOM 872 CA GLY A 60 7.297 -16.467 0.873 1.00 0.00 C ATOM 873 C GLY A 60 7.511 -15.650 -0.386 1.00 0.00 C ATOM 874 O GLY A 60 8.598 -15.118 -0.611 1.00 0.00 O ATOM 0 H GLY A 60 8.075 -14.833 1.930 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.937 -17.349 0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.267 -16.822 0.901 1.00 0.00 H new ATOM 878 N GLU A 61 6.472 -15.550 -1.209 1.00 0.00 N ATOM 879 CA GLU A 61 6.553 -14.794 -2.453 1.00 0.00 C ATOM 880 C GLU A 61 6.063 -13.363 -2.252 1.00 0.00 C ATOM 881 O GLU A 61 5.179 -13.106 -1.434 1.00 0.00 O ATOM 882 CB GLU A 61 5.729 -15.478 -3.546 1.00 0.00 C ATOM 883 CG GLU A 61 6.092 -15.029 -4.952 1.00 0.00 C ATOM 884 CD GLU A 61 7.168 -15.893 -5.580 1.00 0.00 C ATOM 885 OE1 GLU A 61 6.838 -16.998 -6.059 1.00 0.00 O ATOM 886 OE2 GLU A 61 8.341 -15.463 -5.594 1.00 0.00 O ATOM 0 H GLU A 61 5.565 -15.983 -1.037 1.00 0.00 H new ATOM 0 HA GLU A 61 7.598 -14.762 -2.762 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.866 -16.557 -3.471 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.672 -15.278 -3.371 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.200 -15.053 -5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.433 -13.994 -4.922 1.00 0.00 H new ATOM 893 N LEU A 62 6.644 -12.434 -3.004 1.00 0.00 N ATOM 894 CA LEU A 62 6.268 -11.028 -2.910 1.00 0.00 C ATOM 895 C LEU A 62 5.663 -10.537 -4.222 1.00 0.00 C ATOM 896 O LEU A 62 6.328 -10.527 -5.258 1.00 0.00 O ATOM 897 CB LEU A 62 7.486 -10.177 -2.546 1.00 0.00 C ATOM 898 CG LEU A 62 7.293 -8.662 -2.620 1.00 0.00 C ATOM 899 CD1 LEU A 62 7.403 -8.179 -4.057 1.00 0.00 C ATOM 900 CD2 LEU A 62 5.949 -8.266 -2.024 1.00 0.00 C ATOM 0 H LEU A 62 7.377 -12.630 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 62 5.517 -10.930 -2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.794 -10.435 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.307 -10.451 -3.209 1.00 0.00 H new ATOM 0 HG LEU A 62 8.082 -8.186 -2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.263 -7.099 -4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.388 -8.429 -4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.637 -8.663 -4.663 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.828 -7.184 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.147 -8.752 -2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.908 -8.577 -0.980 1.00 0.00 H new ATOM 912 N HIS A 63 4.400 -10.127 -4.168 1.00 0.00 N ATOM 913 CA HIS A 63 3.707 -9.631 -5.352 1.00 0.00 C ATOM 914 C HIS A 63 3.624 -8.108 -5.335 1.00 0.00 C ATOM 915 O HIS A 63 3.033 -7.519 -4.429 1.00 0.00 O ATOM 916 CB HIS A 63 2.302 -10.229 -5.434 1.00 0.00 C ATOM 917 CG HIS A 63 2.293 -11.718 -5.597 1.00 0.00 C ATOM 918 ND1 HIS A 63 2.344 -12.709 -4.677 1.00 0.00 N flip ATOM 919 CD2 HIS A 63 2.228 -12.340 -6.826 1.00 0.00 C flip ATOM 920 CE1 HIS A 63 2.307 -13.900 -5.360 1.00 0.00 C flip ATOM 921 NE2 HIS A 63 2.237 -13.650 -6.655 1.00 0.00 N flip ATOM 0 H HIS A 63 3.836 -10.128 -3.318 1.00 0.00 H new ATOM 0 HA HIS A 63 4.276 -9.936 -6.230 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.751 -9.967 -4.530 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.772 -9.777 -6.272 1.00 0.00 H new ATOM 0 HD1 HIS A 63 2.400 -12.593 -3.665 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.178 -11.835 -7.779 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.331 -14.882 -4.911 1.00 0.00 H new ATOM 929 N ARG A 64 4.220 -7.476 -6.341 1.00 0.00 N ATOM 930 CA ARG A 64 4.215 -6.021 -6.440 1.00 0.00 C ATOM 931 C ARG A 64 3.148 -5.547 -7.422 1.00 0.00 C ATOM 932 O ARG A 64 3.174 -5.901 -8.602 1.00 0.00 O ATOM 933 CB ARG A 64 5.590 -5.514 -6.879 1.00 0.00 C ATOM 934 CG ARG A 64 5.708 -3.999 -6.880 1.00 0.00 C ATOM 935 CD ARG A 64 7.108 -3.550 -7.268 1.00 0.00 C ATOM 936 NE ARG A 64 7.410 -3.844 -8.666 1.00 0.00 N ATOM 937 CZ ARG A 64 8.636 -3.816 -9.175 1.00 0.00 C ATOM 938 NH1 ARG A 64 9.671 -3.509 -8.404 1.00 0.00 N ATOM 939 NH2 ARG A 64 8.831 -4.097 -10.458 1.00 0.00 N ATOM 0 H ARG A 64 4.712 -7.949 -7.099 1.00 0.00 H new ATOM 0 HA ARG A 64 3.983 -5.615 -5.455 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.349 -5.929 -6.216 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.803 -5.887 -7.881 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.983 -3.577 -7.576 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.462 -3.613 -5.891 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.206 -2.479 -7.094 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.838 -4.045 -6.628 1.00 0.00 H new ATOM 0 HE ARG A 64 6.636 -4.084 -9.286 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.526 -3.294 -7.418 1.00 0.00 H new ATOM 0 HH12 ARG A 64 10.612 -3.488 -8.798 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.038 -4.335 -11.054 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.773 -4.075 -10.847 1.00 0.00 H new ATOM 953 N LEU A 65 2.212 -4.745 -6.928 1.00 0.00 N ATOM 954 CA LEU A 65 1.135 -4.222 -7.762 1.00 0.00 C ATOM 955 C LEU A 65 1.306 -2.724 -7.996 1.00 0.00 C ATOM 956 O LEU A 65 1.547 -1.964 -7.059 1.00 0.00 O ATOM 957 CB LEU A 65 -0.221 -4.496 -7.110 1.00 0.00 C ATOM 958 CG LEU A 65 -0.463 -5.932 -6.642 1.00 0.00 C ATOM 959 CD1 LEU A 65 -1.701 -6.006 -5.763 1.00 0.00 C ATOM 960 CD2 LEU A 65 -0.597 -6.866 -7.836 1.00 0.00 C ATOM 0 H LEU A 65 2.177 -4.442 -5.955 1.00 0.00 H new ATOM 0 HA LEU A 65 1.177 -4.729 -8.726 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.330 -3.832 -6.252 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.004 -4.230 -7.820 1.00 0.00 H new ATOM 0 HG LEU A 65 0.396 -6.251 -6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.857 -7.035 -5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.566 -5.368 -4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.569 -5.668 -6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.769 -7.883 -7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.437 -6.549 -8.454 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.319 -6.836 -8.426 1.00 0.00 H new ATOM 972 N ASN A 66 1.176 -2.307 -9.251 1.00 0.00 N ATOM 973 CA ASN A 66 1.315 -0.900 -9.607 1.00 0.00 C ATOM 974 C ASN A 66 -0.033 -0.305 -10.005 1.00 0.00 C ATOM 975 O ASN A 66 -0.885 -0.993 -10.568 1.00 0.00 O ATOM 976 CB ASN A 66 2.315 -0.739 -10.754 1.00 0.00 C ATOM 977 CG ASN A 66 3.754 -0.821 -10.282 1.00 0.00 C ATOM 978 OD1 ASN A 66 4.294 0.139 -9.733 1.00 0.00 O ATOM 979 ND2 ASN A 66 4.381 -1.972 -10.495 1.00 0.00 N ATOM 0 H ASN A 66 0.975 -2.923 -10.038 1.00 0.00 H new ATOM 0 HA ASN A 66 1.686 -0.364 -8.733 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.136 -1.513 -11.500 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.150 0.221 -11.244 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.350 -2.087 -10.199 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.893 -2.741 -10.954 1.00 0.00 H new ATOM 986 N ILE A 67 -0.217 0.977 -9.709 1.00 0.00 N ATOM 987 CA ILE A 67 -1.459 1.666 -10.038 1.00 0.00 C ATOM 988 C ILE A 67 -1.210 2.819 -11.004 1.00 0.00 C ATOM 989 O ILE A 67 -0.667 3.862 -10.638 1.00 0.00 O ATOM 990 CB ILE A 67 -2.153 2.209 -8.775 1.00 0.00 C ATOM 991 CG1 ILE A 67 -2.077 1.183 -7.643 1.00 0.00 C ATOM 992 CG2 ILE A 67 -3.600 2.566 -9.077 1.00 0.00 C ATOM 993 CD1 ILE A 67 -2.909 -0.056 -7.893 1.00 0.00 C ATOM 0 H ILE A 67 0.478 1.560 -9.242 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.110 0.932 -10.513 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.635 3.113 -8.455 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.037 0.890 -7.499 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.407 1.652 -6.716 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.076 2.948 -8.174 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.632 3.329 -9.855 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.130 1.677 -9.419 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.807 -0.739 -7.050 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.956 0.226 -8.007 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.564 -0.548 -8.802 1.00 0.00 H new ATOM 1005 N PRO A 68 -1.618 2.631 -12.268 1.00 0.00 N ATOM 1006 CA PRO A 68 -1.451 3.645 -13.312 1.00 0.00 C ATOM 1007 C PRO A 68 -2.357 4.853 -13.097 1.00 0.00 C ATOM 1008 O PRO A 68 -2.385 5.773 -13.913 1.00 0.00 O ATOM 1009 CB PRO A 68 -1.844 2.904 -14.593 1.00 0.00 C ATOM 1010 CG PRO A 68 -2.759 1.820 -14.137 1.00 0.00 C ATOM 1011 CD PRO A 68 -2.272 1.413 -12.774 1.00 0.00 C ATOM 0 HA PRO A 68 -0.438 4.048 -13.330 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.340 3.570 -15.299 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.969 2.497 -15.099 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.790 2.172 -14.094 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.739 0.976 -14.827 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.094 1.101 -12.130 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.576 0.576 -12.829 1.00 0.00 H new ATOM 1019 N ASN A 69 -3.096 4.843 -11.992 1.00 0.00 N ATOM 1020 CA ASN A 69 -4.004 5.938 -11.670 1.00 0.00 C ATOM 1021 C ASN A 69 -3.772 6.435 -10.246 1.00 0.00 C ATOM 1022 O ASN A 69 -3.988 5.718 -9.269 1.00 0.00 O ATOM 1023 CB ASN A 69 -5.457 5.490 -11.835 1.00 0.00 C ATOM 1024 CG ASN A 69 -6.424 6.658 -11.850 1.00 0.00 C ATOM 1025 OD1 ASN A 69 -6.118 7.725 -12.380 1.00 0.00 O ATOM 1026 ND2 ASN A 69 -7.600 6.459 -11.265 1.00 0.00 N ATOM 0 H ASN A 69 -3.084 4.089 -11.305 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.804 6.758 -12.360 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.558 4.927 -12.763 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.721 4.814 -11.022 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.292 7.208 -11.243 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.811 5.557 -10.838 1.00 0.00 H new ATOM 1033 N PRO A 70 -3.323 7.693 -10.124 1.00 0.00 N ATOM 1034 CA PRO A 70 -3.053 8.315 -8.824 1.00 0.00 C ATOM 1035 C PRO A 70 -4.330 8.591 -8.038 1.00 0.00 C ATOM 1036 O PRO A 70 -4.281 8.939 -6.858 1.00 0.00 O ATOM 1037 CB PRO A 70 -2.360 9.628 -9.196 1.00 0.00 C ATOM 1038 CG PRO A 70 -2.842 9.934 -10.572 1.00 0.00 C ATOM 1039 CD PRO A 70 -3.044 8.605 -11.246 1.00 0.00 C ATOM 0 HA PRO A 70 -2.456 7.670 -8.179 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.621 10.424 -8.499 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.275 9.524 -9.170 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.772 10.502 -10.542 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.116 10.540 -11.114 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.872 8.635 -11.955 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.159 8.298 -11.803 1.00 0.00 H new ATOM 1047 N ALA A 71 -5.472 8.432 -8.698 1.00 0.00 N ATOM 1048 CA ALA A 71 -6.762 8.662 -8.059 1.00 0.00 C ATOM 1049 C ALA A 71 -7.321 7.371 -7.471 1.00 0.00 C ATOM 1050 O ALA A 71 -8.063 7.397 -6.490 1.00 0.00 O ATOM 1051 CB ALA A 71 -7.745 9.259 -9.055 1.00 0.00 C ATOM 0 H ALA A 71 -5.530 8.145 -9.675 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.614 9.369 -7.242 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.704 9.426 -8.564 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.357 10.208 -9.425 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.879 8.572 -9.890 1.00 0.00 H new ATOM 1057 N GLN A 72 -6.959 6.245 -8.077 1.00 0.00 N ATOM 1058 CA GLN A 72 -7.427 4.944 -7.613 1.00 0.00 C ATOM 1059 C GLN A 72 -6.740 4.553 -6.308 1.00 0.00 C ATOM 1060 O GLN A 72 -5.603 4.079 -6.309 1.00 0.00 O ATOM 1061 CB GLN A 72 -7.170 3.876 -8.678 1.00 0.00 C ATOM 1062 CG GLN A 72 -7.372 2.456 -8.176 1.00 0.00 C ATOM 1063 CD GLN A 72 -6.736 1.421 -9.083 1.00 0.00 C ATOM 1064 OE1 GLN A 72 -6.565 1.650 -10.281 1.00 0.00 O ATOM 1065 NE2 GLN A 72 -6.382 0.273 -8.516 1.00 0.00 N ATOM 0 H GLN A 72 -6.344 6.207 -8.890 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.499 5.015 -7.432 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.834 4.051 -9.524 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.150 3.981 -9.047 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.950 2.365 -7.175 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.440 2.253 -8.092 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.542 0.126 -7.520 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.950 -0.461 -9.077 1.00 0.00 H new ATOM 1074 N THR A 73 -7.438 4.755 -5.194 1.00 0.00 N ATOM 1075 CA THR A 73 -6.895 4.425 -3.882 1.00 0.00 C ATOM 1076 C THR A 73 -7.433 3.088 -3.386 1.00 0.00 C ATOM 1077 O THR A 73 -7.619 2.890 -2.185 1.00 0.00 O ATOM 1078 CB THR A 73 -7.227 5.515 -2.847 1.00 0.00 C ATOM 1079 OG1 THR A 73 -8.646 5.676 -2.742 1.00 0.00 O ATOM 1080 CG2 THR A 73 -6.589 6.841 -3.233 1.00 0.00 C ATOM 0 H THR A 73 -8.380 5.145 -5.175 1.00 0.00 H new ATOM 0 HA THR A 73 -5.813 4.359 -3.994 1.00 0.00 H new ATOM 0 HB THR A 73 -6.825 5.203 -1.883 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.848 6.370 -2.080 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.838 7.595 -2.487 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.507 6.723 -3.283 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.965 7.156 -4.206 1.00 0.00 H new ATOM 1088 N SER A 74 -7.679 2.171 -4.317 1.00 0.00 N ATOM 1089 CA SER A 74 -8.199 0.853 -3.973 1.00 0.00 C ATOM 1090 C SER A 74 -7.860 -0.164 -5.058 1.00 0.00 C ATOM 1091 O SER A 74 -8.057 0.089 -6.246 1.00 0.00 O ATOM 1092 CB SER A 74 -9.714 0.915 -3.771 1.00 0.00 C ATOM 1093 OG SER A 74 -10.347 1.563 -4.861 1.00 0.00 O ATOM 0 H SER A 74 -7.526 2.317 -5.315 1.00 0.00 H new ATOM 0 HA SER A 74 -7.729 0.536 -3.042 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.111 -0.094 -3.663 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.940 1.447 -2.847 1.00 0.00 H new ATOM 0 HG SER A 74 -9.872 1.348 -5.690 1.00 0.00 H new ATOM 1099 N VAL A 75 -7.348 -1.318 -4.640 1.00 0.00 N ATOM 1100 CA VAL A 75 -6.982 -2.375 -5.575 1.00 0.00 C ATOM 1101 C VAL A 75 -7.412 -3.742 -5.054 1.00 0.00 C ATOM 1102 O VAL A 75 -7.216 -4.062 -3.882 1.00 0.00 O ATOM 1103 CB VAL A 75 -5.465 -2.392 -5.837 1.00 0.00 C ATOM 1104 CG1 VAL A 75 -4.708 -2.764 -4.571 1.00 0.00 C ATOM 1105 CG2 VAL A 75 -5.131 -3.352 -6.969 1.00 0.00 C ATOM 0 H VAL A 75 -7.178 -1.544 -3.660 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.502 -2.165 -6.510 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.154 -1.391 -6.136 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.637 -2.771 -4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.923 -2.034 -3.791 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.020 -3.754 -4.238 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.055 -3.352 -7.141 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.455 -4.358 -6.701 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.644 -3.036 -7.877 1.00 0.00 H new ATOM 1115 N VAL A 76 -8.000 -4.546 -5.934 1.00 0.00 N ATOM 1116 CA VAL A 76 -8.457 -5.881 -5.565 1.00 0.00 C ATOM 1117 C VAL A 76 -7.353 -6.914 -5.760 1.00 0.00 C ATOM 1118 O VAL A 76 -6.860 -7.109 -6.872 1.00 0.00 O ATOM 1119 CB VAL A 76 -9.689 -6.300 -6.388 1.00 0.00 C ATOM 1120 CG1 VAL A 76 -10.021 -7.765 -6.145 1.00 0.00 C ATOM 1121 CG2 VAL A 76 -10.879 -5.413 -6.055 1.00 0.00 C ATOM 0 H VAL A 76 -8.171 -4.296 -6.908 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.730 -5.841 -4.511 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.457 -6.175 -7.446 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.894 -8.043 -6.735 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.173 -8.384 -6.438 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -10.234 -7.919 -5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -11.741 -5.723 -6.646 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -11.115 -5.503 -4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.636 -4.376 -6.286 1.00 0.00 H new ATOM 1131 N VAL A 77 -6.968 -7.574 -4.673 1.00 0.00 N ATOM 1132 CA VAL A 77 -5.923 -8.589 -4.724 1.00 0.00 C ATOM 1133 C VAL A 77 -6.520 -9.990 -4.797 1.00 0.00 C ATOM 1134 O VAL A 77 -7.383 -10.348 -3.997 1.00 0.00 O ATOM 1135 CB VAL A 77 -4.994 -8.501 -3.499 1.00 0.00 C ATOM 1136 CG1 VAL A 77 -3.930 -9.587 -3.556 1.00 0.00 C ATOM 1137 CG2 VAL A 77 -4.357 -7.123 -3.411 1.00 0.00 C ATOM 0 H VAL A 77 -7.365 -7.424 -3.745 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.341 -8.398 -5.626 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.591 -8.658 -2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.283 -9.509 -2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.409 -10.566 -3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.334 -9.465 -4.461 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.704 -7.079 -2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.773 -6.934 -4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.137 -6.367 -3.319 1.00 0.00 H new ATOM 1147 N GLU A 78 -6.053 -10.777 -5.761 1.00 0.00 N ATOM 1148 CA GLU A 78 -6.542 -12.139 -5.938 1.00 0.00 C ATOM 1149 C GLU A 78 -5.382 -13.124 -6.044 1.00 0.00 C ATOM 1150 O GLU A 78 -4.216 -12.738 -5.957 1.00 0.00 O ATOM 1151 CB GLU A 78 -7.420 -12.232 -7.188 1.00 0.00 C ATOM 1152 CG GLU A 78 -8.748 -11.506 -7.054 1.00 0.00 C ATOM 1153 CD GLU A 78 -9.808 -12.051 -7.992 1.00 0.00 C ATOM 1154 OE1 GLU A 78 -10.011 -13.283 -8.004 1.00 0.00 O ATOM 1155 OE2 GLU A 78 -10.433 -11.246 -8.713 1.00 0.00 O ATOM 0 H GLU A 78 -5.337 -10.495 -6.431 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.139 -12.399 -5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.874 -11.820 -8.037 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.610 -13.282 -7.411 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.101 -11.588 -6.026 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.600 -10.445 -7.256 1.00 0.00 H new ATOM 1162 N ASP A 79 -5.710 -14.398 -6.231 1.00 0.00 N ATOM 1163 CA ASP A 79 -4.696 -15.439 -6.349 1.00 0.00 C ATOM 1164 C ASP A 79 -3.880 -15.552 -5.065 1.00 0.00 C ATOM 1165 O ASP A 79 -2.650 -15.490 -5.091 1.00 0.00 O ATOM 1166 CB ASP A 79 -3.772 -15.149 -7.532 1.00 0.00 C ATOM 1167 CG ASP A 79 -4.458 -15.355 -8.868 1.00 0.00 C ATOM 1168 OD1 ASP A 79 -4.709 -16.522 -9.233 1.00 0.00 O ATOM 1169 OD2 ASP A 79 -4.746 -14.348 -9.548 1.00 0.00 O ATOM 0 H ASP A 79 -6.670 -14.734 -6.304 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.204 -16.388 -6.519 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.414 -14.122 -7.466 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.897 -15.796 -7.473 1.00 0.00 H new ATOM 1174 N LEU A 80 -4.572 -15.715 -3.943 1.00 0.00 N ATOM 1175 CA LEU A 80 -3.911 -15.835 -2.648 1.00 0.00 C ATOM 1176 C LEU A 80 -4.087 -17.238 -2.075 1.00 0.00 C ATOM 1177 O LEU A 80 -4.762 -18.082 -2.666 1.00 0.00 O ATOM 1178 CB LEU A 80 -4.470 -14.799 -1.671 1.00 0.00 C ATOM 1179 CG LEU A 80 -4.469 -13.350 -2.157 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -5.586 -12.562 -1.489 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -3.121 -12.698 -1.888 1.00 0.00 C ATOM 0 H LEU A 80 -5.590 -15.767 -3.904 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.846 -15.652 -2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.494 -15.078 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.894 -14.852 -0.747 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.643 -13.348 -3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.570 -11.533 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.547 -13.016 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.443 -12.572 -0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.139 -11.667 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.917 -12.712 -0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.340 -13.248 -2.413 1.00 0.00 H new ATOM 1193 N LEU A 81 -3.477 -17.480 -0.920 1.00 0.00 N ATOM 1194 CA LEU A 81 -3.567 -18.780 -0.265 1.00 0.00 C ATOM 1195 C LEU A 81 -4.477 -18.712 0.958 1.00 0.00 C ATOM 1196 O LEU A 81 -4.439 -17.760 1.738 1.00 0.00 O ATOM 1197 CB LEU A 81 -2.175 -19.264 0.147 1.00 0.00 C ATOM 1198 CG LEU A 81 -1.277 -19.764 -0.984 1.00 0.00 C ATOM 1199 CD1 LEU A 81 0.174 -19.818 -0.529 1.00 0.00 C ATOM 1200 CD2 LEU A 81 -1.737 -21.132 -1.466 1.00 0.00 C ATOM 0 H LEU A 81 -2.915 -16.793 -0.418 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.995 -19.488 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.664 -18.447 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.292 -20.068 0.874 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.350 -19.064 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.799 -20.176 -1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.500 -18.821 -0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.264 -20.496 0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.086 -21.472 -2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.694 -21.842 -0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.761 -21.063 -1.832 1.00 0.00 H new ATOM 1212 N PRO A 82 -5.313 -19.746 1.132 1.00 0.00 N ATOM 1213 CA PRO A 82 -6.247 -19.828 2.259 1.00 0.00 C ATOM 1214 C PRO A 82 -5.533 -20.056 3.587 1.00 0.00 C ATOM 1215 O PRO A 82 -4.463 -20.661 3.631 1.00 0.00 O ATOM 1216 CB PRO A 82 -7.121 -21.034 1.908 1.00 0.00 C ATOM 1217 CG PRO A 82 -6.270 -21.874 1.019 1.00 0.00 C ATOM 1218 CD PRO A 82 -5.412 -20.915 0.241 1.00 0.00 C ATOM 0 HA PRO A 82 -6.808 -18.903 2.393 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.419 -21.581 2.803 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.037 -20.726 1.403 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.657 -22.562 1.601 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.882 -22.480 0.351 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.432 -21.339 0.023 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.866 -20.654 -0.715 1.00 0.00 H new ATOM 1226 N ASN A 83 -6.133 -19.567 4.668 1.00 0.00 N ATOM 1227 CA ASN A 83 -5.553 -19.718 5.998 1.00 0.00 C ATOM 1228 C ASN A 83 -4.088 -19.292 6.004 1.00 0.00 C ATOM 1229 O ASN A 83 -3.257 -19.898 6.682 1.00 0.00 O ATOM 1230 CB ASN A 83 -5.676 -21.168 6.469 1.00 0.00 C ATOM 1231 CG ASN A 83 -7.096 -21.531 6.859 1.00 0.00 C ATOM 1232 OD1 ASN A 83 -8.030 -21.342 5.934 1.00 0.00 O flip ATOM 1233 ND2 ASN A 83 -7.350 -21.976 7.978 1.00 0.00 N flip ATOM 0 H ASN A 83 -7.020 -19.063 4.649 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.103 -19.073 6.683 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.338 -21.835 5.676 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.016 -21.327 7.322 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.601 -22.105 8.658 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.310 -22.216 8.226 1.00 0.00 H new ATOM 1240 N HIS A 84 -3.779 -18.245 5.245 1.00 0.00 N ATOM 1241 CA HIS A 84 -2.414 -17.737 5.165 1.00 0.00 C ATOM 1242 C HIS A 84 -2.397 -16.213 5.228 1.00 0.00 C ATOM 1243 O HIS A 84 -2.958 -15.540 4.364 1.00 0.00 O ATOM 1244 CB HIS A 84 -1.746 -18.213 3.874 1.00 0.00 C ATOM 1245 CG HIS A 84 -1.195 -19.603 3.962 1.00 0.00 C ATOM 1246 ND1 HIS A 84 -1.975 -20.731 3.823 1.00 0.00 N ATOM 1247 CD2 HIS A 84 0.067 -20.043 4.174 1.00 0.00 C ATOM 1248 CE1 HIS A 84 -1.217 -21.806 3.948 1.00 0.00 C ATOM 1249 NE2 HIS A 84 0.027 -21.416 4.161 1.00 0.00 N ATOM 0 H HIS A 84 -4.454 -17.733 4.678 1.00 0.00 H new ATOM 0 HA HIS A 84 -1.857 -18.124 6.018 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.472 -18.169 3.062 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -0.939 -17.527 3.618 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -2.980 -20.735 3.651 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.943 -19.429 4.325 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.557 -22.829 3.886 1.00 0.00 H new ATOM 1257 N SER A 85 -1.751 -15.675 6.258 1.00 0.00 N ATOM 1258 CA SER A 85 -1.666 -14.230 6.437 1.00 0.00 C ATOM 1259 C SER A 85 -0.807 -13.598 5.346 1.00 0.00 C ATOM 1260 O SER A 85 0.041 -14.259 4.746 1.00 0.00 O ATOM 1261 CB SER A 85 -1.087 -13.899 7.813 1.00 0.00 C ATOM 1262 OG SER A 85 -1.916 -14.398 8.849 1.00 0.00 O ATOM 0 H SER A 85 -1.279 -16.218 6.981 1.00 0.00 H new ATOM 0 HA SER A 85 -2.673 -13.820 6.366 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.089 -14.327 7.904 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.981 -12.819 7.916 1.00 0.00 H new ATOM 0 HG SER A 85 -1.523 -14.175 9.719 1.00 0.00 H new ATOM 1268 N TYR A 86 -1.033 -12.313 5.094 1.00 0.00 N ATOM 1269 CA TYR A 86 -0.282 -11.591 4.074 1.00 0.00 C ATOM 1270 C TYR A 86 -0.081 -10.133 4.477 1.00 0.00 C ATOM 1271 O TYR A 86 -1.044 -9.405 4.719 1.00 0.00 O ATOM 1272 CB TYR A 86 -1.007 -11.665 2.729 1.00 0.00 C ATOM 1273 CG TYR A 86 -0.762 -12.955 1.980 1.00 0.00 C ATOM 1274 CD1 TYR A 86 0.329 -13.092 1.131 1.00 0.00 C ATOM 1275 CD2 TYR A 86 -1.622 -14.037 2.122 1.00 0.00 C ATOM 1276 CE1 TYR A 86 0.557 -14.268 0.444 1.00 0.00 C ATOM 1277 CE2 TYR A 86 -1.401 -15.218 1.439 1.00 0.00 C ATOM 1278 CZ TYR A 86 -0.311 -15.329 0.602 1.00 0.00 C ATOM 1279 OH TYR A 86 -0.088 -16.503 -0.080 1.00 0.00 O ATOM 0 H TYR A 86 -1.730 -11.750 5.582 1.00 0.00 H new ATOM 0 HA TYR A 86 0.697 -12.061 3.978 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.078 -11.549 2.896 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.689 -10.828 2.108 1.00 0.00 H new ATOM 0 HD1 TYR A 86 1.011 -12.264 1.006 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.477 -13.954 2.777 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.410 -14.357 -0.213 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.079 -16.050 1.560 1.00 0.00 H new ATOM 0 HH TYR A 86 0.874 -16.620 -0.224 1.00 0.00 H new ATOM 1289 N VAL A 87 1.178 -9.713 4.545 1.00 0.00 N ATOM 1290 CA VAL A 87 1.508 -8.342 4.916 1.00 0.00 C ATOM 1291 C VAL A 87 1.371 -7.402 3.723 1.00 0.00 C ATOM 1292 O VAL A 87 2.214 -7.393 2.826 1.00 0.00 O ATOM 1293 CB VAL A 87 2.940 -8.240 5.473 1.00 0.00 C ATOM 1294 CG1 VAL A 87 3.908 -9.032 4.607 1.00 0.00 C ATOM 1295 CG2 VAL A 87 3.370 -6.784 5.574 1.00 0.00 C ATOM 0 H VAL A 87 1.987 -10.303 4.348 1.00 0.00 H new ATOM 0 HA VAL A 87 0.802 -8.046 5.692 1.00 0.00 H new ATOM 0 HB VAL A 87 2.953 -8.669 6.475 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.915 -8.948 5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.609 -10.080 4.592 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.895 -8.636 3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.384 -6.731 5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.342 -6.327 4.585 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.692 -6.250 6.240 1.00 0.00 H new ATOM 1305 N PHE A 88 0.303 -6.611 3.720 1.00 0.00 N ATOM 1306 CA PHE A 88 0.054 -5.666 2.637 1.00 0.00 C ATOM 1307 C PHE A 88 0.663 -4.304 2.953 1.00 0.00 C ATOM 1308 O PHE A 88 0.227 -3.617 3.878 1.00 0.00 O ATOM 1309 CB PHE A 88 -1.449 -5.522 2.393 1.00 0.00 C ATOM 1310 CG PHE A 88 -2.048 -6.675 1.639 1.00 0.00 C ATOM 1311 CD1 PHE A 88 -2.439 -7.826 2.304 1.00 0.00 C ATOM 1312 CD2 PHE A 88 -2.220 -6.607 0.266 1.00 0.00 C ATOM 1313 CE1 PHE A 88 -2.990 -8.888 1.613 1.00 0.00 C ATOM 1314 CE2 PHE A 88 -2.771 -7.667 -0.431 1.00 0.00 C ATOM 1315 CZ PHE A 88 -3.157 -8.808 0.244 1.00 0.00 C ATOM 0 H PHE A 88 -0.404 -6.605 4.455 1.00 0.00 H new ATOM 0 HA PHE A 88 0.526 -6.054 1.734 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.957 -5.423 3.352 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.632 -4.602 1.839 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.312 -7.894 3.374 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.920 -5.716 -0.266 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.290 -9.780 2.143 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.899 -7.602 -1.501 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.589 -9.637 -0.297 1.00 0.00 H new ATOM 1325 N ARG A 89 1.673 -3.919 2.180 1.00 0.00 N ATOM 1326 CA ARG A 89 2.344 -2.640 2.378 1.00 0.00 C ATOM 1327 C ARG A 89 2.060 -1.692 1.217 1.00 0.00 C ATOM 1328 O ARG A 89 2.681 -1.787 0.158 1.00 0.00 O ATOM 1329 CB ARG A 89 3.852 -2.848 2.524 1.00 0.00 C ATOM 1330 CG ARG A 89 4.231 -3.776 3.666 1.00 0.00 C ATOM 1331 CD ARG A 89 5.738 -3.958 3.759 1.00 0.00 C ATOM 1332 NE ARG A 89 6.107 -4.975 4.741 1.00 0.00 N ATOM 1333 CZ ARG A 89 7.249 -5.653 4.703 1.00 0.00 C ATOM 1334 NH1 ARG A 89 8.129 -5.423 3.738 1.00 0.00 N ATOM 1335 NH2 ARG A 89 7.513 -6.563 5.632 1.00 0.00 N ATOM 0 H ARG A 89 2.045 -4.475 1.410 1.00 0.00 H new ATOM 0 HA ARG A 89 1.956 -2.192 3.293 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.246 -3.253 1.592 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.330 -1.881 2.679 1.00 0.00 H new ATOM 0 HG2 ARG A 89 3.854 -3.372 4.605 1.00 0.00 H new ATOM 0 HG3 ARG A 89 3.754 -4.746 3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.130 -4.239 2.782 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.202 -3.009 4.028 1.00 0.00 H new ATOM 0 HE ARG A 89 5.452 -5.175 5.497 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.930 -4.724 3.022 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.005 -5.945 3.711 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.839 -6.743 6.376 1.00 0.00 H new ATOM 0 HH22 ARG A 89 8.390 -7.083 5.602 1.00 0.00 H new ATOM 1349 N VAL A 90 1.118 -0.777 1.423 1.00 0.00 N ATOM 1350 CA VAL A 90 0.752 0.189 0.394 1.00 0.00 C ATOM 1351 C VAL A 90 1.711 1.374 0.387 1.00 0.00 C ATOM 1352 O VAL A 90 2.068 1.903 1.440 1.00 0.00 O ATOM 1353 CB VAL A 90 -0.685 0.706 0.594 1.00 0.00 C ATOM 1354 CG1 VAL A 90 -0.938 1.930 -0.272 1.00 0.00 C ATOM 1355 CG2 VAL A 90 -1.693 -0.391 0.289 1.00 0.00 C ATOM 0 H VAL A 90 0.594 -0.684 2.293 1.00 0.00 H new ATOM 0 HA VAL A 90 0.813 -0.330 -0.563 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.805 0.998 1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.958 2.281 -0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.238 2.719 0.000 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.800 1.668 -1.321 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.703 -0.008 0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.575 -0.717 -0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.525 -1.236 0.957 1.00 0.00 H new ATOM 1365 N ARG A 91 2.124 1.787 -0.807 1.00 0.00 N ATOM 1366 CA ARG A 91 3.042 2.910 -0.951 1.00 0.00 C ATOM 1367 C ARG A 91 2.590 3.842 -2.072 1.00 0.00 C ATOM 1368 O ARG A 91 1.819 3.448 -2.946 1.00 0.00 O ATOM 1369 CB ARG A 91 4.458 2.406 -1.233 1.00 0.00 C ATOM 1370 CG ARG A 91 5.502 3.510 -1.276 1.00 0.00 C ATOM 1371 CD ARG A 91 6.905 2.946 -1.434 1.00 0.00 C ATOM 1372 NE ARG A 91 7.137 2.427 -2.780 1.00 0.00 N ATOM 1373 CZ ARG A 91 8.267 1.838 -3.155 1.00 0.00 C ATOM 1374 NH1 ARG A 91 9.262 1.694 -2.291 1.00 0.00 N ATOM 1375 NH2 ARG A 91 8.403 1.392 -4.397 1.00 0.00 N ATOM 0 H ARG A 91 1.837 1.361 -1.688 1.00 0.00 H new ATOM 0 HA ARG A 91 3.042 3.469 -0.015 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.737 1.684 -0.465 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.463 1.876 -2.186 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.285 4.185 -2.104 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.447 4.100 -0.361 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.636 3.724 -1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.060 2.149 -0.706 1.00 0.00 H new ATOM 0 HE ARG A 91 6.391 2.522 -3.469 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.161 2.036 -1.335 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.129 1.241 -2.582 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.640 1.501 -5.065 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.271 0.940 -4.684 1.00 0.00 H new ATOM 1389 N ALA A 92 3.075 5.079 -2.038 1.00 0.00 N ATOM 1390 CA ALA A 92 2.723 6.065 -3.051 1.00 0.00 C ATOM 1391 C ALA A 92 3.966 6.602 -3.751 1.00 0.00 C ATOM 1392 O ALA A 92 5.064 6.572 -3.195 1.00 0.00 O ATOM 1393 CB ALA A 92 1.933 7.206 -2.425 1.00 0.00 C ATOM 0 H ALA A 92 3.713 5.422 -1.320 1.00 0.00 H new ATOM 0 HA ALA A 92 2.101 5.574 -3.799 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.677 7.935 -3.193 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.020 6.814 -1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.536 7.687 -1.655 1.00 0.00 H new ATOM 1399 N GLN A 93 3.787 7.092 -4.974 1.00 0.00 N ATOM 1400 CA GLN A 93 4.896 7.634 -5.750 1.00 0.00 C ATOM 1401 C GLN A 93 4.578 9.041 -6.245 1.00 0.00 C ATOM 1402 O GLN A 93 3.419 9.378 -6.485 1.00 0.00 O ATOM 1403 CB GLN A 93 5.210 6.722 -6.937 1.00 0.00 C ATOM 1404 CG GLN A 93 6.410 7.175 -7.752 1.00 0.00 C ATOM 1405 CD GLN A 93 7.047 6.042 -8.532 1.00 0.00 C ATOM 1406 OE1 GLN A 93 8.271 5.919 -8.583 1.00 0.00 O ATOM 1407 NE2 GLN A 93 6.218 5.206 -9.146 1.00 0.00 N ATOM 0 H GLN A 93 2.885 7.125 -5.448 1.00 0.00 H new ATOM 0 HA GLN A 93 5.769 7.686 -5.100 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.391 5.712 -6.570 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.337 6.673 -7.588 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.100 7.958 -8.444 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.152 7.614 -7.085 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.210 5.345 -9.077 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.589 4.425 -9.686 1.00 0.00 H new ATOM 1416 N SER A 94 5.615 9.859 -6.394 1.00 0.00 N ATOM 1417 CA SER A 94 5.446 11.232 -6.856 1.00 0.00 C ATOM 1418 C SER A 94 6.600 11.646 -7.764 1.00 0.00 C ATOM 1419 O SER A 94 7.630 10.975 -7.819 1.00 0.00 O ATOM 1420 CB SER A 94 5.352 12.186 -5.664 1.00 0.00 C ATOM 1421 OG SER A 94 6.616 12.358 -5.048 1.00 0.00 O ATOM 0 H SER A 94 6.581 9.595 -6.202 1.00 0.00 H new ATOM 0 HA SER A 94 4.520 11.285 -7.428 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.971 13.152 -5.996 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.640 11.796 -4.937 1.00 0.00 H new ATOM 0 HG SER A 94 6.808 13.315 -4.956 1.00 0.00 H new ATOM 1427 N GLN A 95 6.418 12.755 -8.473 1.00 0.00 N ATOM 1428 CA GLN A 95 7.444 13.259 -9.379 1.00 0.00 C ATOM 1429 C GLN A 95 8.839 12.989 -8.825 1.00 0.00 C ATOM 1430 O GLN A 95 9.735 12.566 -9.554 1.00 0.00 O ATOM 1431 CB GLN A 95 7.256 14.758 -9.613 1.00 0.00 C ATOM 1432 CG GLN A 95 7.825 15.244 -10.936 1.00 0.00 C ATOM 1433 CD GLN A 95 6.836 15.117 -12.078 1.00 0.00 C ATOM 1434 OE1 GLN A 95 5.974 15.975 -12.266 1.00 0.00 O ATOM 1435 NE2 GLN A 95 6.956 14.042 -12.849 1.00 0.00 N ATOM 0 H GLN A 95 5.571 13.322 -8.438 1.00 0.00 H new ATOM 0 HA GLN A 95 7.343 12.735 -10.330 1.00 0.00 H new ATOM 0 HB2 GLN A 95 6.192 14.992 -9.577 1.00 0.00 H new ATOM 0 HB3 GLN A 95 7.731 15.306 -8.800 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.127 16.287 -10.836 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.723 14.673 -11.173 1.00 0.00 H new ATOM 0 HE21 GLN A 95 7.686 13.355 -12.657 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.319 13.903 -13.633 1.00 0.00 H new ATOM 1444 N GLU A 96 9.015 13.239 -7.531 1.00 0.00 N ATOM 1445 CA GLU A 96 10.303 13.024 -6.880 1.00 0.00 C ATOM 1446 C GLU A 96 10.663 11.541 -6.864 1.00 0.00 C ATOM 1447 O GLU A 96 11.682 11.133 -7.421 1.00 0.00 O ATOM 1448 CB GLU A 96 10.274 13.568 -5.451 1.00 0.00 C ATOM 1449 CG GLU A 96 10.623 15.044 -5.355 1.00 0.00 C ATOM 1450 CD GLU A 96 12.115 15.297 -5.440 1.00 0.00 C ATOM 1451 OE1 GLU A 96 12.794 14.584 -6.209 1.00 0.00 O ATOM 1452 OE2 GLU A 96 12.604 16.208 -4.740 1.00 0.00 O ATOM 0 H GLU A 96 8.283 13.590 -6.913 1.00 0.00 H new ATOM 0 HA GLU A 96 11.063 13.559 -7.449 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.281 13.410 -5.031 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.973 12.997 -4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.120 15.585 -6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.244 15.443 -4.414 1.00 0.00 H new ATOM 1459 N GLY A 97 9.820 10.740 -6.221 1.00 0.00 N ATOM 1460 CA GLY A 97 10.067 9.312 -6.143 1.00 0.00 C ATOM 1461 C GLY A 97 9.103 8.607 -5.209 1.00 0.00 C ATOM 1462 O GLY A 97 8.078 9.169 -4.825 1.00 0.00 O ATOM 0 H GLY A 97 8.970 11.054 -5.752 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.986 8.877 -7.139 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.088 9.141 -5.803 1.00 0.00 H new ATOM 1466 N TRP A 98 9.431 7.372 -4.846 1.00 0.00 N ATOM 1467 CA TRP A 98 8.584 6.588 -3.953 1.00 0.00 C ATOM 1468 C TRP A 98 8.755 7.040 -2.507 1.00 0.00 C ATOM 1469 O TRP A 98 9.869 7.080 -1.986 1.00 0.00 O ATOM 1470 CB TRP A 98 8.916 5.101 -4.078 1.00 0.00 C ATOM 1471 CG TRP A 98 8.470 4.500 -5.377 1.00 0.00 C ATOM 1472 CD1 TRP A 98 9.243 4.262 -6.478 1.00 0.00 C ATOM 1473 CD2 TRP A 98 7.148 4.064 -5.711 1.00 0.00 C ATOM 1474 NE1 TRP A 98 8.480 3.704 -7.475 1.00 0.00 N ATOM 1475 CE2 TRP A 98 7.192 3.571 -7.029 1.00 0.00 C ATOM 1476 CE3 TRP A 98 5.931 4.040 -5.023 1.00 0.00 C ATOM 1477 CZ2 TRP A 98 6.066 3.063 -7.672 1.00 0.00 C ATOM 1478 CZ3 TRP A 98 4.815 3.535 -5.662 1.00 0.00 C ATOM 1479 CH2 TRP A 98 4.888 3.051 -6.975 1.00 0.00 C ATOM 0 H TRP A 98 10.276 6.892 -5.156 1.00 0.00 H new ATOM 0 HA TRP A 98 7.546 6.747 -4.244 1.00 0.00 H new ATOM 0 HB2 TRP A 98 9.993 4.966 -3.974 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.447 4.561 -3.256 1.00 0.00 H new ATOM 0 HD1 TRP A 98 10.298 4.480 -6.553 1.00 0.00 H new ATOM 0 HE1 TRP A 98 8.818 3.433 -8.398 1.00 0.00 H new ATOM 0 HE3 TRP A 98 5.865 4.410 -4.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 6.120 2.692 -8.685 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 3.870 3.513 -5.140 1.00 0.00 H new ATOM 0 HH2 TRP A 98 3.998 2.661 -7.446 1.00 0.00 H new ATOM 1490 N GLY A 99 7.642 7.379 -1.862 1.00 0.00 N ATOM 1491 CA GLY A 99 7.691 7.823 -0.481 1.00 0.00 C ATOM 1492 C GLY A 99 7.615 6.671 0.501 1.00 0.00 C ATOM 1493 O GLY A 99 8.156 5.595 0.249 1.00 0.00 O ATOM 0 H GLY A 99 6.708 7.354 -2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.614 8.379 -0.314 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.866 8.511 -0.294 1.00 0.00 H new ATOM 1497 N ARG A 100 6.943 6.898 1.625 1.00 0.00 N ATOM 1498 CA ARG A 100 6.801 5.871 2.651 1.00 0.00 C ATOM 1499 C ARG A 100 5.622 4.953 2.341 1.00 0.00 C ATOM 1500 O ARG A 100 4.846 5.213 1.422 1.00 0.00 O ATOM 1501 CB ARG A 100 6.612 6.516 4.025 1.00 0.00 C ATOM 1502 CG ARG A 100 7.914 6.949 4.679 1.00 0.00 C ATOM 1503 CD ARG A 100 7.813 6.917 6.196 1.00 0.00 C ATOM 1504 NE ARG A 100 9.108 6.668 6.825 1.00 0.00 N ATOM 1505 CZ ARG A 100 9.407 7.045 8.063 1.00 0.00 C ATOM 1506 NH1 ARG A 100 8.510 7.684 8.801 1.00 0.00 N ATOM 1507 NH2 ARG A 100 10.607 6.782 8.566 1.00 0.00 N ATOM 0 H ARG A 100 6.488 7.783 1.848 1.00 0.00 H new ATOM 0 HA ARG A 100 7.712 5.273 2.660 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.960 7.384 3.923 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.103 5.810 4.681 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.722 6.294 4.353 1.00 0.00 H new ATOM 0 HG3 ARG A 100 8.169 7.957 4.351 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.413 7.866 6.553 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.109 6.141 6.496 1.00 0.00 H new ATOM 0 HE ARG A 100 9.821 6.178 6.284 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.587 7.888 8.418 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.743 7.972 9.751 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.300 6.290 8.002 1.00 0.00 H new ATOM 0 HH22 ARG A 100 10.836 7.072 9.517 1.00 0.00 H new ATOM 1521 N GLU A 101 5.495 3.880 3.114 1.00 0.00 N ATOM 1522 CA GLU A 101 4.412 2.923 2.921 1.00 0.00 C ATOM 1523 C GLU A 101 3.765 2.557 4.254 1.00 0.00 C ATOM 1524 O GLU A 101 4.378 2.697 5.312 1.00 0.00 O ATOM 1525 CB GLU A 101 4.933 1.661 2.230 1.00 0.00 C ATOM 1526 CG GLU A 101 5.654 0.708 3.168 1.00 0.00 C ATOM 1527 CD GLU A 101 4.716 0.042 4.157 1.00 0.00 C ATOM 1528 OE1 GLU A 101 3.535 -0.164 3.809 1.00 0.00 O ATOM 1529 OE2 GLU A 101 5.165 -0.274 5.279 1.00 0.00 O ATOM 0 H GLU A 101 6.129 3.651 3.880 1.00 0.00 H new ATOM 0 HA GLU A 101 3.658 3.390 2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.096 1.138 1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.611 1.950 1.427 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.162 -0.058 2.582 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.424 1.254 3.714 1.00 0.00 H new ATOM 1536 N ARG A 102 2.523 2.088 4.193 1.00 0.00 N ATOM 1537 CA ARG A 102 1.792 1.703 5.394 1.00 0.00 C ATOM 1538 C ARG A 102 1.630 0.188 5.470 1.00 0.00 C ATOM 1539 O ARG A 102 1.255 -0.455 4.490 1.00 0.00 O ATOM 1540 CB ARG A 102 0.418 2.375 5.418 1.00 0.00 C ATOM 1541 CG ARG A 102 -0.486 1.875 6.533 1.00 0.00 C ATOM 1542 CD ARG A 102 -0.219 2.609 7.838 1.00 0.00 C ATOM 1543 NE ARG A 102 0.799 1.940 8.643 1.00 0.00 N ATOM 1544 CZ ARG A 102 1.478 2.540 9.615 1.00 0.00 C ATOM 1545 NH1 ARG A 102 1.248 3.814 9.901 1.00 0.00 N ATOM 1546 NH2 ARG A 102 2.389 1.864 10.304 1.00 0.00 N ATOM 0 H ARG A 102 2.002 1.966 3.325 1.00 0.00 H new ATOM 0 HA ARG A 102 2.366 2.034 6.260 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.551 3.451 5.525 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.075 2.209 4.460 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.529 2.009 6.245 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.330 0.806 6.677 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.102 3.628 7.622 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -1.144 2.680 8.410 1.00 0.00 H new ATOM 0 HE ARG A 102 1.000 0.959 8.449 1.00 0.00 H new ATOM 0 HH11 ARG A 102 0.548 4.337 9.374 1.00 0.00 H new ATOM 0 HH12 ARG A 102 1.771 4.272 10.648 1.00 0.00 H new ATOM 0 HH21 ARG A 102 2.568 0.883 10.087 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.910 2.325 11.050 1.00 0.00 H new ATOM 1560 N GLU A 103 1.916 -0.375 6.640 1.00 0.00 N ATOM 1561 CA GLU A 103 1.803 -1.815 6.842 1.00 0.00 C ATOM 1562 C GLU A 103 0.358 -2.212 7.132 1.00 0.00 C ATOM 1563 O GLU A 103 -0.333 -1.557 7.911 1.00 0.00 O ATOM 1564 CB GLU A 103 2.707 -2.263 7.992 1.00 0.00 C ATOM 1565 CG GLU A 103 3.112 -3.726 7.913 1.00 0.00 C ATOM 1566 CD GLU A 103 3.880 -4.185 9.137 1.00 0.00 C ATOM 1567 OE1 GLU A 103 5.045 -3.767 9.298 1.00 0.00 O ATOM 1568 OE2 GLU A 103 3.315 -4.963 9.934 1.00 0.00 O ATOM 0 H GLU A 103 2.227 0.143 7.461 1.00 0.00 H new ATOM 0 HA GLU A 103 2.121 -2.311 5.925 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.605 -1.646 7.999 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.193 -2.087 8.937 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.219 -4.341 7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.724 -3.882 7.025 1.00 0.00 H new ATOM 1575 N GLY A 104 -0.092 -3.290 6.498 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.451 -3.756 6.700 1.00 0.00 C ATOM 1577 C GLY A 104 -1.575 -5.261 6.564 1.00 0.00 C ATOM 1578 O GLY A 104 -1.937 -5.768 5.503 1.00 0.00 O ATOM 0 H GLY A 104 0.460 -3.849 5.848 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.792 -3.455 7.691 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.108 -3.274 5.977 1.00 0.00 H new ATOM 1582 N VAL A 105 -1.271 -5.978 7.642 1.00 0.00 N ATOM 1583 CA VAL A 105 -1.349 -7.434 7.638 1.00 0.00 C ATOM 1584 C VAL A 105 -2.799 -7.906 7.638 1.00 0.00 C ATOM 1585 O VAL A 105 -3.677 -7.249 8.197 1.00 0.00 O ATOM 1586 CB VAL A 105 -0.624 -8.038 8.856 1.00 0.00 C ATOM 1587 CG1 VAL A 105 -0.712 -9.556 8.830 1.00 0.00 C ATOM 1588 CG2 VAL A 105 0.826 -7.580 8.893 1.00 0.00 C ATOM 0 H VAL A 105 -0.969 -5.574 8.528 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.858 -7.775 6.726 1.00 0.00 H new ATOM 0 HB VAL A 105 -1.116 -7.685 9.762 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.195 -9.965 9.698 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -1.758 -9.860 8.855 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.246 -9.932 7.919 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.323 -8.016 9.760 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.333 -7.903 7.983 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.863 -6.493 8.963 1.00 0.00 H new ATOM 1598 N ILE A 106 -3.042 -9.050 7.006 1.00 0.00 N ATOM 1599 CA ILE A 106 -4.385 -9.611 6.935 1.00 0.00 C ATOM 1600 C ILE A 106 -4.351 -11.133 7.029 1.00 0.00 C ATOM 1601 O ILE A 106 -3.399 -11.773 6.580 1.00 0.00 O ATOM 1602 CB ILE A 106 -5.096 -9.205 5.630 1.00 0.00 C ATOM 1603 CG1 ILE A 106 -6.556 -9.661 5.656 1.00 0.00 C ATOM 1604 CG2 ILE A 106 -4.373 -9.793 4.428 1.00 0.00 C ATOM 1605 CD1 ILE A 106 -7.444 -8.800 6.527 1.00 0.00 C ATOM 0 H ILE A 106 -2.327 -9.605 6.536 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.940 -9.209 7.783 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.076 -8.118 5.545 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -6.947 -9.658 4.638 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.600 -10.690 6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.887 -9.497 3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -3.348 -9.423 4.403 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.365 -10.880 4.504 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.464 -9.183 6.497 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -7.078 -8.822 7.554 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.430 -7.774 6.159 1.00 0.00 H new ATOM 1617 N THR A 107 -5.397 -11.708 7.613 1.00 0.00 N ATOM 1618 CA THR A 107 -5.488 -13.155 7.766 1.00 0.00 C ATOM 1619 C THR A 107 -6.749 -13.700 7.105 1.00 0.00 C ATOM 1620 O THR A 107 -7.860 -13.278 7.426 1.00 0.00 O ATOM 1621 CB THR A 107 -5.482 -13.565 9.251 1.00 0.00 C ATOM 1622 OG1 THR A 107 -4.258 -13.150 9.869 1.00 0.00 O ATOM 1623 CG2 THR A 107 -5.645 -15.070 9.397 1.00 0.00 C ATOM 0 H THR A 107 -6.194 -11.194 7.988 1.00 0.00 H new ATOM 0 HA THR A 107 -4.612 -13.580 7.276 1.00 0.00 H new ATOM 0 HB THR A 107 -6.322 -13.075 9.744 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.508 -13.640 9.471 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.638 -15.336 10.454 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.591 -15.378 8.952 1.00 0.00 H new ATOM 0 HG23 THR A 107 -4.823 -15.576 8.890 1.00 0.00 H new ATOM 1631 N ILE A 108 -6.569 -14.638 6.182 1.00 0.00 N ATOM 1632 CA ILE A 108 -7.694 -15.241 5.478 1.00 0.00 C ATOM 1633 C ILE A 108 -8.449 -16.214 6.378 1.00 0.00 C ATOM 1634 O ILE A 108 -7.919 -17.255 6.765 1.00 0.00 O ATOM 1635 CB ILE A 108 -7.231 -15.985 4.211 1.00 0.00 C ATOM 1636 CG1 ILE A 108 -6.419 -15.051 3.312 1.00 0.00 C ATOM 1637 CG2 ILE A 108 -8.429 -16.544 3.458 1.00 0.00 C ATOM 1638 CD1 ILE A 108 -7.220 -13.891 2.765 1.00 0.00 C ATOM 0 H ILE A 108 -5.656 -14.997 5.904 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.359 -14.427 5.190 1.00 0.00 H new ATOM 0 HB ILE A 108 -6.593 -16.817 4.509 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -5.572 -14.662 3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -6.011 -15.625 2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -8.086 -17.067 2.565 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.970 -17.239 4.100 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.090 -15.727 3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.580 -13.271 2.137 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.052 -14.271 2.172 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -7.606 -13.294 3.591 1.00 0.00 H new ATOM 1650 N GLU A 109 -9.689 -15.867 6.706 1.00 0.00 N ATOM 1651 CA GLU A 109 -10.517 -16.710 7.560 1.00 0.00 C ATOM 1652 C GLU A 109 -11.771 -17.168 6.821 1.00 0.00 C ATOM 1653 O GLU A 109 -12.677 -16.376 6.563 1.00 0.00 O ATOM 1654 CB GLU A 109 -10.909 -15.957 8.833 1.00 0.00 C ATOM 1655 CG GLU A 109 -9.782 -15.847 9.846 1.00 0.00 C ATOM 1656 CD GLU A 109 -9.979 -14.699 10.817 1.00 0.00 C ATOM 1657 OE1 GLU A 109 -10.571 -13.676 10.412 1.00 0.00 O ATOM 1658 OE2 GLU A 109 -9.542 -14.822 11.980 1.00 0.00 O ATOM 0 H GLU A 109 -10.142 -15.008 6.394 1.00 0.00 H new ATOM 0 HA GLU A 109 -9.934 -17.590 7.832 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.244 -14.955 8.564 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -11.756 -16.462 9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -9.708 -16.781 10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -8.837 -15.714 9.319 1.00 0.00 H new