USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 856 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 34 HIS : no HD1:sc= -0.0416 X(o=-0.2,f=-0.16) USER MOD Set 1.2: A 121 SER OG : rot -140:sc= -0.154 USER MOD Set 2.1: A 37 SER OG : rot 23:sc= -1.29! USER MOD Set 2.2: A 39 HIS : no HD1:sc= -0.284 K(o=-1.6,f=-4.5!) USER MOD Single : A 20 SER OG : rot 64:sc= 1.02 USER MOD Single : A 24 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.63) USER MOD Single : A 45 GLN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 47 GLN : amide:sc= 1.23 K(o=1.2,f=-0.58) USER MOD Single : A 50 ASN : amide:sc= -0.0585 K(o=-0.058,f=-1.9) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 28:sc= 1.19 USER MOD Single : A 71 MET CE :methyl -137:sc= -0.0926 (180deg=-1.53) USER MOD Single : A 74 SER OG : rot 121:sc= -0.22 USER MOD Single : A 87 CYS SG : rot -160:sc= 1.22 USER MOD Single : A 88 GLN :FLIP amide:sc= -3.74! C(o=-6.9!,f=-3.7!) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 163:sc= 1.25 USER MOD Single : A 96 SER OG : rot 71:sc= 1.2 USER MOD Single : A 97 HIS : no HD1:sc= -0.183 K(o=-0.18,f=-1.1) USER MOD Single : A 105 ASN : amide:sc= 1.17 K(o=1.2,f=-0.04) USER MOD ----------------------------------------------------------------- ATOM 237 N ILE A 14 0.999 9.469 -16.686 1.00 0.00 N ATOM 238 CA ILE A 14 1.937 8.757 -15.839 1.00 0.00 C ATOM 239 C ILE A 14 1.693 7.251 -15.920 1.00 0.00 C ATOM 240 O ILE A 14 0.919 6.677 -15.153 1.00 0.00 O ATOM 241 CB ILE A 14 1.880 9.235 -14.369 1.00 0.00 C ATOM 242 CG1 ILE A 14 0.430 9.295 -13.869 1.00 0.00 C ATOM 243 CG2 ILE A 14 2.554 10.595 -14.233 1.00 0.00 C ATOM 244 CD1 ILE A 14 0.308 9.626 -12.396 1.00 0.00 C ATOM 0 HA ILE A 14 2.938 8.978 -16.211 1.00 0.00 H new ATOM 0 HB ILE A 14 2.418 8.516 -13.751 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.114 10.042 -14.447 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.050 8.335 -14.058 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.508 10.922 -13.194 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.596 10.517 -14.543 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.041 11.320 -14.864 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.745 9.651 -12.115 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.823 8.866 -11.808 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.758 10.600 -12.203 1.00 0.00 H new ATOM 256 N ALA A 15 2.355 6.621 -16.875 1.00 0.00 N ATOM 257 CA ALA A 15 2.283 5.181 -17.043 1.00 0.00 C ATOM 258 C ALA A 15 3.680 4.604 -16.930 1.00 0.00 C ATOM 259 O ALA A 15 4.473 4.676 -17.868 1.00 0.00 O ATOM 260 CB ALA A 15 1.648 4.822 -18.380 1.00 0.00 C ATOM 0 H ALA A 15 2.955 7.091 -17.553 1.00 0.00 H new ATOM 0 HA ALA A 15 1.653 4.754 -16.262 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.605 3.738 -18.483 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.639 5.231 -18.425 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.245 5.240 -19.190 1.00 0.00 H new ATOM 266 N PHE A 16 3.984 4.066 -15.768 1.00 0.00 N ATOM 267 CA PHE A 16 5.339 3.642 -15.459 1.00 0.00 C ATOM 268 C PHE A 16 5.579 2.216 -15.926 1.00 0.00 C ATOM 269 O PHE A 16 4.649 1.414 -16.006 1.00 0.00 O ATOM 270 CB PHE A 16 5.591 3.728 -13.952 1.00 0.00 C ATOM 271 CG PHE A 16 4.810 4.816 -13.266 1.00 0.00 C ATOM 272 CD1 PHE A 16 5.181 6.146 -13.386 1.00 0.00 C ATOM 273 CD2 PHE A 16 3.700 4.500 -12.501 1.00 0.00 C ATOM 274 CE1 PHE A 16 4.457 7.138 -12.753 1.00 0.00 C ATOM 275 CE2 PHE A 16 2.975 5.485 -11.867 1.00 0.00 C ATOM 276 CZ PHE A 16 3.352 6.807 -11.991 1.00 0.00 C ATOM 0 H PHE A 16 3.311 3.910 -15.018 1.00 0.00 H new ATOM 0 HA PHE A 16 6.026 4.307 -15.982 1.00 0.00 H new ATOM 0 HB2 PHE A 16 5.339 2.770 -13.496 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.655 3.893 -13.780 1.00 0.00 H new ATOM 0 HD1 PHE A 16 6.044 6.409 -13.980 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.399 3.468 -12.400 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.754 8.171 -12.853 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.112 5.223 -11.273 1.00 0.00 H new ATOM 0 HZ PHE A 16 2.785 7.581 -11.494 1.00 0.00 H new ATOM 286 N ASP A 17 6.830 1.911 -16.231 1.00 0.00 N ATOM 287 CA ASP A 17 7.235 0.551 -16.549 1.00 0.00 C ATOM 288 C ASP A 17 7.372 -0.263 -15.265 1.00 0.00 C ATOM 289 O ASP A 17 8.460 -0.698 -14.888 1.00 0.00 O ATOM 290 CB ASP A 17 8.548 0.551 -17.350 1.00 0.00 C ATOM 291 CG ASP A 17 9.617 1.449 -16.747 1.00 0.00 C ATOM 292 OD1 ASP A 17 9.513 2.687 -16.900 1.00 0.00 O ATOM 293 OD2 ASP A 17 10.568 0.928 -16.129 1.00 0.00 O ATOM 0 H ASP A 17 7.588 2.593 -16.265 1.00 0.00 H new ATOM 0 HA ASP A 17 6.469 0.088 -17.170 1.00 0.00 H new ATOM 0 HB2 ASP A 17 8.930 -0.468 -17.410 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.344 0.875 -18.370 1.00 0.00 H new ATOM 298 N ALA A 18 6.246 -0.452 -14.590 1.00 0.00 N ATOM 299 CA ALA A 18 6.218 -1.109 -13.293 1.00 0.00 C ATOM 300 C ALA A 18 5.349 -2.355 -13.337 1.00 0.00 C ATOM 301 O ALA A 18 4.447 -2.463 -14.169 1.00 0.00 O ATOM 302 CB ALA A 18 5.702 -0.144 -12.235 1.00 0.00 C ATOM 0 H ALA A 18 5.330 -0.155 -14.926 1.00 0.00 H new ATOM 0 HA ALA A 18 7.233 -1.412 -13.036 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.684 -0.643 -11.266 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.358 0.725 -12.184 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.694 0.178 -12.497 1.00 0.00 H new ATOM 308 N ASP A 19 5.625 -3.292 -12.444 1.00 0.00 N ATOM 309 CA ASP A 19 4.833 -4.510 -12.346 1.00 0.00 C ATOM 310 C ASP A 19 3.598 -4.247 -11.504 1.00 0.00 C ATOM 311 O ASP A 19 3.705 -3.723 -10.393 1.00 0.00 O ATOM 312 CB ASP A 19 5.644 -5.646 -11.715 1.00 0.00 C ATOM 313 CG ASP A 19 6.929 -5.947 -12.455 1.00 0.00 C ATOM 314 OD1 ASP A 19 6.925 -6.845 -13.324 1.00 0.00 O ATOM 315 OD2 ASP A 19 7.959 -5.307 -12.155 1.00 0.00 O ATOM 0 H ASP A 19 6.393 -3.233 -11.775 1.00 0.00 H new ATOM 0 HA ASP A 19 4.542 -4.810 -13.353 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.880 -5.385 -10.683 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.031 -6.547 -11.684 1.00 0.00 H new ATOM 320 N SER A 20 2.434 -4.600 -12.023 1.00 0.00 N ATOM 321 CA SER A 20 1.193 -4.384 -11.300 1.00 0.00 C ATOM 322 C SER A 20 0.452 -5.697 -11.066 1.00 0.00 C ATOM 323 O SER A 20 -0.023 -6.332 -12.007 1.00 0.00 O ATOM 324 CB SER A 20 0.314 -3.384 -12.060 1.00 0.00 C ATOM 325 OG SER A 20 0.363 -3.607 -13.459 1.00 0.00 O ATOM 0 H SER A 20 2.323 -5.036 -12.939 1.00 0.00 H new ATOM 0 HA SER A 20 1.431 -3.968 -10.321 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.716 -3.467 -11.713 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.644 -2.368 -11.841 1.00 0.00 H new ATOM 0 HG SER A 20 -0.014 -4.488 -13.663 1.00 0.00 H new ATOM 331 N GLU A 21 0.379 -6.112 -9.808 1.00 0.00 N ATOM 332 CA GLU A 21 -0.345 -7.321 -9.445 1.00 0.00 C ATOM 333 C GLU A 21 -1.542 -6.979 -8.568 1.00 0.00 C ATOM 334 O GLU A 21 -1.438 -6.160 -7.654 1.00 0.00 O ATOM 335 CB GLU A 21 0.564 -8.304 -8.700 1.00 0.00 C ATOM 336 CG GLU A 21 1.869 -8.609 -9.415 1.00 0.00 C ATOM 337 CD GLU A 21 2.655 -9.718 -8.741 1.00 0.00 C ATOM 338 OE1 GLU A 21 2.907 -10.755 -9.388 1.00 0.00 O ATOM 339 OE2 GLU A 21 3.013 -9.566 -7.556 1.00 0.00 O ATOM 0 H GLU A 21 0.813 -5.628 -9.022 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.690 -7.790 -10.366 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.789 -7.897 -7.714 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.022 -9.236 -8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.657 -8.893 -10.446 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.479 -7.706 -9.452 1.00 0.00 H new ATOM 346 N ILE A 22 -2.676 -7.592 -8.862 1.00 0.00 N ATOM 347 CA ILE A 22 -3.868 -7.423 -8.048 1.00 0.00 C ATOM 348 C ILE A 22 -4.073 -8.645 -7.169 1.00 0.00 C ATOM 349 O ILE A 22 -4.348 -9.739 -7.654 1.00 0.00 O ATOM 350 CB ILE A 22 -5.127 -7.190 -8.905 1.00 0.00 C ATOM 351 CG1 ILE A 22 -4.966 -5.920 -9.739 1.00 0.00 C ATOM 352 CG2 ILE A 22 -6.366 -7.093 -8.021 1.00 0.00 C ATOM 353 CD1 ILE A 22 -6.082 -5.701 -10.733 1.00 0.00 C ATOM 0 H ILE A 22 -2.797 -8.214 -9.662 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.716 -6.538 -7.430 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.253 -8.038 -9.578 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.913 -5.061 -9.070 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.018 -5.965 -10.275 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.245 -6.928 -8.644 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.487 -8.020 -7.461 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.253 -6.261 -7.326 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.899 -4.781 -11.288 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.122 -6.541 -11.426 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.031 -5.623 -10.203 1.00 0.00 H new ATOM 365 N LEU A 23 -3.929 -8.446 -5.879 1.00 0.00 N ATOM 366 CA LEU A 23 -4.022 -9.521 -4.913 1.00 0.00 C ATOM 367 C LEU A 23 -5.426 -9.582 -4.340 1.00 0.00 C ATOM 368 O LEU A 23 -6.089 -8.556 -4.181 1.00 0.00 O ATOM 369 CB LEU A 23 -3.031 -9.274 -3.773 1.00 0.00 C ATOM 370 CG LEU A 23 -1.753 -8.538 -4.169 1.00 0.00 C ATOM 371 CD1 LEU A 23 -0.973 -8.130 -2.932 1.00 0.00 C ATOM 372 CD2 LEU A 23 -0.896 -9.399 -5.077 1.00 0.00 C ATOM 0 H LEU A 23 -3.743 -7.532 -5.467 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.789 -10.463 -5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.534 -8.702 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.757 -10.235 -3.337 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.032 -7.638 -4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.065 -7.607 -3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.586 -7.471 -2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.708 -9.019 -2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.009 -8.855 -5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.625 -10.318 -4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.455 -9.644 -5.980 1.00 0.00 H new ATOM 384 N GLN A 24 -5.873 -10.783 -4.043 1.00 0.00 N ATOM 385 CA GLN A 24 -7.125 -10.984 -3.346 1.00 0.00 C ATOM 386 C GLN A 24 -6.968 -12.170 -2.412 1.00 0.00 C ATOM 387 O GLN A 24 -7.259 -13.309 -2.781 1.00 0.00 O ATOM 388 CB GLN A 24 -8.278 -11.196 -4.338 1.00 0.00 C ATOM 389 CG GLN A 24 -9.674 -11.047 -3.733 1.00 0.00 C ATOM 390 CD GLN A 24 -10.165 -12.297 -3.026 1.00 0.00 C ATOM 391 OE1 GLN A 24 -9.947 -12.482 -1.828 1.00 0.00 O ATOM 392 NE2 GLN A 24 -10.839 -13.161 -3.765 1.00 0.00 N ATOM 0 H GLN A 24 -5.381 -11.645 -4.277 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.373 -10.097 -2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.173 -10.482 -5.155 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.189 -12.192 -4.771 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.668 -10.218 -3.025 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.378 -10.786 -4.523 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -10.998 -12.971 -4.754 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.200 -14.018 -3.346 1.00 0.00 H new ATOM 401 N GLY A 25 -6.429 -11.894 -1.229 1.00 0.00 N ATOM 402 CA GLY A 25 -6.240 -12.917 -0.222 1.00 0.00 C ATOM 403 C GLY A 25 -5.284 -14.009 -0.659 1.00 0.00 C ATOM 404 O GLY A 25 -4.064 -13.860 -0.567 1.00 0.00 O ATOM 0 H GLY A 25 -6.116 -10.964 -0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.863 -12.455 0.691 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.205 -13.362 0.021 1.00 0.00 H new ATOM 408 N GLU A 26 -5.852 -15.092 -1.161 1.00 0.00 N ATOM 409 CA GLU A 26 -5.092 -16.276 -1.522 1.00 0.00 C ATOM 410 C GLU A 26 -4.450 -16.132 -2.901 1.00 0.00 C ATOM 411 O GLU A 26 -3.432 -16.761 -3.186 1.00 0.00 O ATOM 412 CB GLU A 26 -6.022 -17.498 -1.499 1.00 0.00 C ATOM 413 CG GLU A 26 -5.352 -18.810 -1.888 1.00 0.00 C ATOM 414 CD GLU A 26 -4.189 -19.164 -0.987 1.00 0.00 C ATOM 415 OE1 GLU A 26 -4.405 -19.346 0.229 1.00 0.00 O ATOM 416 OE2 GLU A 26 -3.055 -19.280 -1.494 1.00 0.00 O ATOM 0 H GLU A 26 -6.854 -15.175 -1.330 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.288 -16.405 -0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.440 -17.601 -0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.857 -17.316 -2.176 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.089 -19.613 -1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.001 -18.742 -2.918 1.00 0.00 H new ATOM 423 N ARG A 27 -5.022 -15.290 -3.750 1.00 0.00 N ATOM 424 CA ARG A 27 -4.625 -15.262 -5.149 1.00 0.00 C ATOM 425 C ARG A 27 -4.075 -13.905 -5.548 1.00 0.00 C ATOM 426 O ARG A 27 -4.254 -12.917 -4.837 1.00 0.00 O ATOM 427 CB ARG A 27 -5.814 -15.619 -6.043 1.00 0.00 C ATOM 428 CG ARG A 27 -6.419 -16.978 -5.730 1.00 0.00 C ATOM 429 CD ARG A 27 -7.613 -17.274 -6.617 1.00 0.00 C ATOM 430 NE ARG A 27 -7.248 -17.329 -8.031 1.00 0.00 N ATOM 431 CZ ARG A 27 -8.091 -17.656 -9.006 1.00 0.00 C ATOM 432 NH1 ARG A 27 -9.368 -17.903 -8.736 1.00 0.00 N ATOM 433 NH2 ARG A 27 -7.654 -17.715 -10.255 1.00 0.00 N ATOM 0 H ARG A 27 -5.753 -14.625 -3.498 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.834 -16.000 -5.281 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.583 -14.854 -5.935 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.493 -15.604 -7.085 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.664 -17.753 -5.864 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.725 -17.009 -4.684 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.057 -18.224 -6.321 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.373 -16.507 -6.469 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.287 -17.102 -8.286 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.707 -17.842 -7.776 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.009 -18.153 -9.489 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.677 -17.510 -10.464 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.295 -17.965 -11.008 1.00 0.00 H new ATOM 447 N ARG A 28 -3.396 -13.876 -6.686 1.00 0.00 N ATOM 448 CA ARG A 28 -2.880 -12.639 -7.256 1.00 0.00 C ATOM 449 C ARG A 28 -2.880 -12.718 -8.778 1.00 0.00 C ATOM 450 O ARG A 28 -2.463 -13.721 -9.358 1.00 0.00 O ATOM 451 CB ARG A 28 -1.476 -12.319 -6.719 1.00 0.00 C ATOM 452 CG ARG A 28 -0.650 -13.533 -6.316 1.00 0.00 C ATOM 453 CD ARG A 28 -0.092 -14.283 -7.512 1.00 0.00 C ATOM 454 NE ARG A 28 0.580 -15.509 -7.094 1.00 0.00 N ATOM 455 CZ ARG A 28 1.569 -16.094 -7.763 1.00 0.00 C ATOM 456 NH1 ARG A 28 2.036 -15.563 -8.885 1.00 0.00 N ATOM 457 NH2 ARG A 28 2.108 -17.210 -7.289 1.00 0.00 N ATOM 0 H ARG A 28 -3.187 -14.707 -7.239 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.538 -11.824 -6.953 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.930 -11.763 -7.481 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.575 -11.662 -5.855 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.173 -13.212 -5.677 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.268 -14.208 -5.725 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.899 -14.524 -8.203 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.609 -13.645 -8.051 1.00 0.00 H new ATOM 0 HE ARG A 28 0.269 -15.948 -6.227 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.636 -14.696 -9.244 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.795 -16.022 -9.389 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.763 -17.613 -6.418 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.867 -17.665 -7.796 1.00 0.00 H new ATOM 471 N TRP A 29 -3.376 -11.672 -9.413 1.00 0.00 N ATOM 472 CA TRP A 29 -3.454 -11.614 -10.868 1.00 0.00 C ATOM 473 C TRP A 29 -2.584 -10.483 -11.397 1.00 0.00 C ATOM 474 O TRP A 29 -2.797 -9.320 -11.054 1.00 0.00 O ATOM 475 CB TRP A 29 -4.901 -11.394 -11.327 1.00 0.00 C ATOM 476 CG TRP A 29 -5.850 -12.492 -10.941 1.00 0.00 C ATOM 477 CD1 TRP A 29 -6.142 -13.612 -11.665 1.00 0.00 C ATOM 478 CD2 TRP A 29 -6.644 -12.564 -9.751 1.00 0.00 C ATOM 479 NE1 TRP A 29 -7.068 -14.379 -10.995 1.00 0.00 N ATOM 480 CE2 TRP A 29 -7.392 -13.756 -9.817 1.00 0.00 C ATOM 481 CE3 TRP A 29 -6.793 -11.738 -8.635 1.00 0.00 C ATOM 482 CZ2 TRP A 29 -8.276 -14.136 -8.810 1.00 0.00 C ATOM 483 CZ3 TRP A 29 -7.669 -12.116 -7.637 1.00 0.00 C ATOM 484 CH2 TRP A 29 -8.400 -13.307 -7.729 1.00 0.00 C ATOM 0 H TRP A 29 -3.735 -10.842 -8.942 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.097 -12.565 -11.262 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.263 -10.455 -10.909 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.912 -11.286 -12.412 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.710 -13.860 -12.623 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -7.451 -15.266 -11.321 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -6.232 -10.819 -8.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.843 -15.052 -8.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -7.793 -11.483 -6.771 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -9.075 -13.576 -6.930 1.00 0.00 H new ATOM 495 N GLU A 30 -1.599 -10.824 -12.211 1.00 0.00 N ATOM 496 CA GLU A 30 -0.757 -9.817 -12.839 1.00 0.00 C ATOM 497 C GLU A 30 -1.518 -9.100 -13.944 1.00 0.00 C ATOM 498 O GLU A 30 -2.013 -9.719 -14.885 1.00 0.00 O ATOM 499 CB GLU A 30 0.529 -10.447 -13.372 1.00 0.00 C ATOM 500 CG GLU A 30 1.470 -10.860 -12.257 1.00 0.00 C ATOM 501 CD GLU A 30 2.716 -11.562 -12.747 1.00 0.00 C ATOM 502 OE1 GLU A 30 3.592 -10.886 -13.326 1.00 0.00 O ATOM 503 OE2 GLU A 30 2.845 -12.784 -12.511 1.00 0.00 O ATOM 0 H GLU A 30 -1.362 -11.786 -12.452 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.480 -9.078 -12.087 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.281 -11.319 -13.977 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.034 -9.738 -14.027 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.760 -9.975 -11.691 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.939 -11.518 -11.569 1.00 0.00 H new ATOM 510 N VAL A 31 -1.606 -7.790 -13.813 1.00 0.00 N ATOM 511 CA VAL A 31 -2.414 -6.981 -14.703 1.00 0.00 C ATOM 512 C VAL A 31 -1.548 -5.942 -15.412 1.00 0.00 C ATOM 513 O VAL A 31 -0.414 -5.682 -15.003 1.00 0.00 O ATOM 514 CB VAL A 31 -3.547 -6.286 -13.908 1.00 0.00 C ATOM 515 CG1 VAL A 31 -2.986 -5.257 -12.937 1.00 0.00 C ATOM 516 CG2 VAL A 31 -4.568 -5.650 -14.837 1.00 0.00 C ATOM 0 H VAL A 31 -1.121 -7.259 -13.089 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.861 -7.630 -15.457 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.057 -7.055 -13.328 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.805 -4.786 -12.393 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.317 -5.750 -12.231 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.433 -4.498 -13.491 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.349 -5.171 -14.246 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.077 -4.904 -15.462 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.012 -6.418 -15.470 1.00 0.00 H new ATOM 526 N LEU A 32 -2.071 -5.381 -16.492 1.00 0.00 N ATOM 527 CA LEU A 32 -1.387 -4.314 -17.205 1.00 0.00 C ATOM 528 C LEU A 32 -1.765 -2.959 -16.620 1.00 0.00 C ATOM 529 O LEU A 32 -2.947 -2.609 -16.569 1.00 0.00 O ATOM 530 CB LEU A 32 -1.747 -4.321 -18.695 1.00 0.00 C ATOM 531 CG LEU A 32 -1.169 -5.461 -19.541 1.00 0.00 C ATOM 532 CD1 LEU A 32 -1.783 -6.803 -19.166 1.00 0.00 C ATOM 533 CD2 LEU A 32 -1.399 -5.170 -21.014 1.00 0.00 C ATOM 0 H LEU A 32 -2.969 -5.648 -16.894 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.316 -4.484 -17.095 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.833 -4.351 -18.782 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.418 -3.376 -19.128 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.099 -5.523 -19.344 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.349 -7.588 -19.786 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.579 -7.016 -18.117 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.861 -6.768 -19.326 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.987 -5.982 -21.614 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.469 -5.084 -21.205 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.906 -4.235 -21.281 1.00 0.00 H new ATOM 545 N LEU A 33 -0.765 -2.207 -16.184 1.00 0.00 N ATOM 546 CA LEU A 33 -0.976 -0.852 -15.697 1.00 0.00 C ATOM 547 C LEU A 33 -1.329 0.074 -16.861 1.00 0.00 C ATOM 548 O LEU A 33 -0.866 -0.125 -17.987 1.00 0.00 O ATOM 549 CB LEU A 33 0.285 -0.349 -14.978 1.00 0.00 C ATOM 550 CG LEU A 33 0.209 1.075 -14.419 1.00 0.00 C ATOM 551 CD1 LEU A 33 -0.861 1.177 -13.342 1.00 0.00 C ATOM 552 CD2 LEU A 33 1.562 1.503 -13.872 1.00 0.00 C ATOM 0 H LEU A 33 0.207 -2.515 -16.158 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.805 -0.854 -14.989 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.509 -1.030 -14.157 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.123 -0.402 -15.673 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.064 1.748 -15.232 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.897 2.197 -12.960 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.830 0.914 -13.766 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.624 0.493 -12.527 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.491 2.517 -13.479 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.863 0.824 -13.074 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.303 1.475 -14.671 1.00 0.00 H new ATOM 564 N HIS A 34 -2.171 1.063 -16.595 1.00 0.00 N ATOM 565 CA HIS A 34 -2.547 2.041 -17.609 1.00 0.00 C ATOM 566 C HIS A 34 -2.516 3.449 -17.027 1.00 0.00 C ATOM 567 O HIS A 34 -1.799 4.315 -17.529 1.00 0.00 O ATOM 568 CB HIS A 34 -3.930 1.731 -18.192 1.00 0.00 C ATOM 569 CG HIS A 34 -3.932 0.602 -19.182 1.00 0.00 C ATOM 570 ND1 HIS A 34 -3.354 0.698 -20.427 1.00 0.00 N ATOM 571 CD2 HIS A 34 -4.460 -0.646 -19.114 1.00 0.00 C ATOM 572 CE1 HIS A 34 -3.528 -0.433 -21.084 1.00 0.00 C ATOM 573 NE2 HIS A 34 -4.196 -1.268 -20.311 1.00 0.00 N ATOM 0 H HIS A 34 -2.608 1.210 -15.685 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.821 1.982 -18.420 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.611 1.488 -17.377 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -4.319 2.627 -18.676 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.990 -1.072 -18.275 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.182 -0.640 -22.086 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -4.471 -2.218 -20.560 1.00 0.00 H new ATOM 582 N ASP A 35 -3.288 3.671 -15.968 1.00 0.00 N ATOM 583 CA ASP A 35 -3.290 4.960 -15.277 1.00 0.00 C ATOM 584 C ASP A 35 -3.607 4.734 -13.800 1.00 0.00 C ATOM 585 O ASP A 35 -4.410 3.863 -13.463 1.00 0.00 O ATOM 586 CB ASP A 35 -4.322 5.903 -15.911 1.00 0.00 C ATOM 587 CG ASP A 35 -4.041 7.369 -15.624 1.00 0.00 C ATOM 588 OD1 ASP A 35 -3.715 8.118 -16.581 1.00 0.00 O ATOM 589 OD2 ASP A 35 -4.162 7.785 -14.456 1.00 0.00 O ATOM 0 H ASP A 35 -3.920 2.977 -15.568 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.308 5.424 -15.368 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.336 5.746 -16.989 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.315 5.649 -15.539 1.00 0.00 H new ATOM 594 N VAL A 36 -2.973 5.500 -12.922 1.00 0.00 N ATOM 595 CA VAL A 36 -3.093 5.280 -11.485 1.00 0.00 C ATOM 596 C VAL A 36 -2.986 6.605 -10.729 1.00 0.00 C ATOM 597 O VAL A 36 -2.329 7.537 -11.194 1.00 0.00 O ATOM 598 CB VAL A 36 -2.004 4.292 -10.986 1.00 0.00 C ATOM 599 CG1 VAL A 36 -0.607 4.840 -11.247 1.00 0.00 C ATOM 600 CG2 VAL A 36 -2.180 3.964 -9.507 1.00 0.00 C ATOM 0 H VAL A 36 -2.369 6.281 -13.179 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.072 4.843 -11.291 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.123 3.367 -11.551 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.136 4.128 -10.888 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.472 4.997 -12.317 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.484 5.788 -10.723 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.400 3.270 -9.193 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.109 4.880 -8.920 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.157 3.507 -9.349 1.00 0.00 H new ATOM 610 N SER A 37 -3.643 6.696 -9.571 1.00 0.00 N ATOM 611 CA SER A 37 -3.619 7.919 -8.785 1.00 0.00 C ATOM 612 C SER A 37 -4.166 7.677 -7.371 1.00 0.00 C ATOM 613 O SER A 37 -4.311 6.537 -6.934 1.00 0.00 O ATOM 614 CB SER A 37 -4.435 8.999 -9.496 1.00 0.00 C ATOM 615 OG SER A 37 -4.221 10.269 -8.923 1.00 0.00 O ATOM 0 H SER A 37 -4.193 5.940 -9.164 1.00 0.00 H new ATOM 0 HA SER A 37 -2.586 8.252 -8.689 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.165 9.025 -10.552 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.495 8.749 -9.444 1.00 0.00 H new ATOM 0 HG SER A 37 -3.359 10.276 -8.456 1.00 0.00 H new ATOM 621 N LEU A 38 -4.500 8.765 -6.678 1.00 0.00 N ATOM 622 CA LEU A 38 -4.915 8.707 -5.277 1.00 0.00 C ATOM 623 C LEU A 38 -6.417 8.485 -5.169 1.00 0.00 C ATOM 624 O LEU A 38 -6.994 8.590 -4.092 1.00 0.00 O ATOM 625 CB LEU A 38 -4.544 10.009 -4.560 1.00 0.00 C ATOM 626 CG LEU A 38 -3.082 10.433 -4.689 1.00 0.00 C ATOM 627 CD1 LEU A 38 -2.845 11.752 -3.967 1.00 0.00 C ATOM 628 CD2 LEU A 38 -2.155 9.356 -4.142 1.00 0.00 C ATOM 0 H LEU A 38 -4.491 9.707 -7.069 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.397 7.871 -4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.173 10.810 -4.949 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.782 9.902 -3.502 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.860 10.569 -5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.799 12.040 -4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.478 12.525 -4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.089 11.638 -2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.120 9.681 -4.245 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.379 9.184 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.302 8.431 -4.700 1.00 0.00 H new ATOM 640 N HIS A 39 -7.039 8.205 -6.302 1.00 0.00 N ATOM 641 CA HIS A 39 -8.485 7.964 -6.357 1.00 0.00 C ATOM 642 C HIS A 39 -8.732 6.500 -6.630 1.00 0.00 C ATOM 643 O HIS A 39 -9.848 5.997 -6.500 1.00 0.00 O ATOM 644 CB HIS A 39 -9.153 8.786 -7.473 1.00 0.00 C ATOM 645 CG HIS A 39 -8.312 9.908 -7.990 1.00 0.00 C ATOM 646 ND1 HIS A 39 -7.942 10.026 -9.310 1.00 0.00 N ATOM 647 CD2 HIS A 39 -7.738 10.941 -7.345 1.00 0.00 C ATOM 648 CE1 HIS A 39 -7.166 11.082 -9.447 1.00 0.00 C ATOM 649 NE2 HIS A 39 -7.027 11.658 -8.268 1.00 0.00 N ATOM 0 H HIS A 39 -6.569 8.137 -7.205 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.912 8.263 -5.400 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.402 8.121 -8.300 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.092 9.193 -7.098 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.823 11.163 -6.292 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.718 11.420 -10.370 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.481 12.498 -8.077 1.00 0.00 H new ATOM 658 N GLY A 40 -7.669 5.828 -7.014 1.00 0.00 N ATOM 659 CA GLY A 40 -7.764 4.453 -7.432 1.00 0.00 C ATOM 660 C GLY A 40 -6.836 4.171 -8.588 1.00 0.00 C ATOM 661 O GLY A 40 -5.747 4.743 -8.663 1.00 0.00 O ATOM 0 H GLY A 40 -6.726 6.216 -7.044 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.518 3.798 -6.596 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.790 4.228 -7.722 1.00 0.00 H new ATOM 665 N ILE A 41 -7.274 3.332 -9.510 1.00 0.00 N ATOM 666 CA ILE A 41 -6.415 2.892 -10.599 1.00 0.00 C ATOM 667 C ILE A 41 -7.234 2.235 -11.706 1.00 0.00 C ATOM 668 O ILE A 41 -8.241 1.578 -11.435 1.00 0.00 O ATOM 669 CB ILE A 41 -5.338 1.907 -10.075 1.00 0.00 C ATOM 670 CG1 ILE A 41 -4.409 1.447 -11.200 1.00 0.00 C ATOM 671 CG2 ILE A 41 -5.986 0.706 -9.393 1.00 0.00 C ATOM 672 CD1 ILE A 41 -3.284 0.548 -10.726 1.00 0.00 C ATOM 0 H ILE A 41 -8.216 2.942 -9.528 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.918 3.769 -11.013 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.736 2.439 -9.339 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.995 0.917 -11.951 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.982 2.323 -11.689 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.211 0.029 -9.034 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.588 1.047 -8.551 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.623 0.182 -10.106 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.665 0.260 -11.576 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.674 1.082 -9.997 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.703 -0.346 -10.263 1.00 0.00 H new ATOM 684 N LEU A 42 -6.821 2.443 -12.951 1.00 0.00 N ATOM 685 CA LEU A 42 -7.446 1.772 -14.078 1.00 0.00 C ATOM 686 C LEU A 42 -6.433 0.871 -14.767 1.00 0.00 C ATOM 687 O LEU A 42 -5.432 1.340 -15.319 1.00 0.00 O ATOM 688 CB LEU A 42 -8.030 2.771 -15.083 1.00 0.00 C ATOM 689 CG LEU A 42 -8.727 2.129 -16.291 1.00 0.00 C ATOM 690 CD1 LEU A 42 -9.846 1.213 -15.841 1.00 0.00 C ATOM 691 CD2 LEU A 42 -9.276 3.185 -17.233 1.00 0.00 C ATOM 0 H LEU A 42 -6.057 3.070 -13.202 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.270 1.171 -13.694 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.745 3.411 -14.566 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.228 3.415 -15.443 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.981 1.541 -16.826 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.326 0.769 -16.713 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.438 0.423 -15.210 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.580 1.786 -15.275 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.764 2.700 -18.079 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.000 3.804 -16.703 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.459 3.810 -17.595 1.00 0.00 H new ATOM 703 N VAL A 43 -6.692 -0.420 -14.718 1.00 0.00 N ATOM 704 CA VAL A 43 -5.805 -1.404 -15.310 1.00 0.00 C ATOM 705 C VAL A 43 -6.526 -2.190 -16.393 1.00 0.00 C ATOM 706 O VAL A 43 -7.720 -1.991 -16.621 1.00 0.00 O ATOM 707 CB VAL A 43 -5.258 -2.376 -14.248 1.00 0.00 C ATOM 708 CG1 VAL A 43 -4.262 -1.675 -13.339 1.00 0.00 C ATOM 709 CG2 VAL A 43 -6.398 -2.970 -13.435 1.00 0.00 C ATOM 0 H VAL A 43 -7.518 -0.816 -14.270 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.967 -0.865 -15.752 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.739 -3.187 -14.760 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.888 -2.380 -12.596 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.429 -1.299 -13.933 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.753 -0.843 -12.834 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.995 -3.655 -12.689 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.944 -2.170 -12.935 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.073 -3.512 -14.097 1.00 0.00 H new ATOM 719 N GLY A 44 -5.804 -3.081 -17.056 1.00 0.00 N ATOM 720 CA GLY A 44 -6.398 -3.846 -18.133 1.00 0.00 C ATOM 721 C GLY A 44 -6.021 -5.312 -18.098 1.00 0.00 C ATOM 722 O GLY A 44 -4.840 -5.661 -18.128 1.00 0.00 O ATOM 0 H GLY A 44 -4.823 -3.287 -16.869 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.483 -3.755 -18.080 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.088 -3.420 -19.087 1.00 0.00 H new ATOM 726 N GLN A 45 -7.031 -6.164 -18.012 1.00 0.00 N ATOM 727 CA GLN A 45 -6.850 -7.605 -18.130 1.00 0.00 C ATOM 728 C GLN A 45 -7.619 -8.110 -19.343 1.00 0.00 C ATOM 729 O GLN A 45 -8.414 -7.369 -19.923 1.00 0.00 O ATOM 730 CB GLN A 45 -7.348 -8.345 -16.878 1.00 0.00 C ATOM 731 CG GLN A 45 -6.402 -8.284 -15.693 1.00 0.00 C ATOM 732 CD GLN A 45 -6.742 -9.311 -14.629 1.00 0.00 C ATOM 733 OE1 GLN A 45 -7.598 -8.939 -13.691 1.00 0.00 O flip ATOM 734 NE2 GLN A 45 -6.243 -10.434 -14.652 1.00 0.00 N flip ATOM 0 H GLN A 45 -7.998 -5.878 -17.859 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.784 -7.802 -18.240 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.309 -7.925 -16.581 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.522 -9.390 -17.134 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.381 -8.446 -16.038 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.436 -7.286 -15.255 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.586 -10.685 -15.391 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.485 -11.115 -13.932 1.00 0.00 H new ATOM 743 N PRO A 46 -7.379 -9.356 -19.767 1.00 0.00 N ATOM 744 CA PRO A 46 -8.213 -9.999 -20.777 1.00 0.00 C ATOM 745 C PRO A 46 -9.662 -10.093 -20.298 1.00 0.00 C ATOM 746 O PRO A 46 -10.551 -9.466 -20.870 1.00 0.00 O ATOM 747 CB PRO A 46 -7.604 -11.397 -20.931 1.00 0.00 C ATOM 748 CG PRO A 46 -6.221 -11.287 -20.380 1.00 0.00 C ATOM 749 CD PRO A 46 -6.271 -10.220 -19.324 1.00 0.00 C ATOM 0 HA PRO A 46 -8.235 -9.446 -21.716 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.186 -12.142 -20.388 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.588 -11.706 -21.976 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.894 -12.237 -19.957 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.510 -11.025 -21.164 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.459 -10.640 -18.336 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.332 -9.670 -19.263 1.00 0.00 H new ATOM 757 N GLN A 47 -9.860 -10.860 -19.224 1.00 0.00 N ATOM 758 CA GLN A 47 -11.161 -11.036 -18.577 1.00 0.00 C ATOM 759 C GLN A 47 -10.974 -11.799 -17.273 1.00 0.00 C ATOM 760 O GLN A 47 -9.839 -12.015 -16.841 1.00 0.00 O ATOM 761 CB GLN A 47 -12.145 -11.812 -19.464 1.00 0.00 C ATOM 762 CG GLN A 47 -12.980 -10.943 -20.389 1.00 0.00 C ATOM 763 CD GLN A 47 -14.047 -11.728 -21.120 1.00 0.00 C ATOM 764 OE1 GLN A 47 -13.892 -12.923 -21.382 1.00 0.00 O ATOM 765 NE2 GLN A 47 -15.132 -11.058 -21.468 1.00 0.00 N ATOM 0 H GLN A 47 -9.110 -11.384 -18.773 1.00 0.00 H new ATOM 0 HA GLN A 47 -11.576 -10.045 -18.394 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -11.585 -12.528 -20.066 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -12.814 -12.388 -18.825 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -13.451 -10.150 -19.809 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -12.327 -10.461 -21.116 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -15.219 -10.070 -21.231 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -15.882 -11.529 -21.974 1.00 0.00 H new ATOM 774 N ASP A 48 -12.094 -12.197 -16.668 1.00 0.00 N ATOM 775 CA ASP A 48 -12.113 -13.087 -15.501 1.00 0.00 C ATOM 776 C ASP A 48 -11.753 -12.390 -14.195 1.00 0.00 C ATOM 777 O ASP A 48 -11.036 -11.390 -14.166 1.00 0.00 O ATOM 778 CB ASP A 48 -11.206 -14.309 -15.703 1.00 0.00 C ATOM 779 CG ASP A 48 -11.909 -15.439 -16.424 1.00 0.00 C ATOM 780 OD1 ASP A 48 -12.361 -16.385 -15.747 1.00 0.00 O ATOM 781 OD2 ASP A 48 -12.028 -15.382 -17.666 1.00 0.00 O ATOM 0 H ASP A 48 -13.023 -11.909 -16.975 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.148 -13.417 -15.415 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.324 -14.013 -16.271 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.857 -14.663 -14.733 1.00 0.00 H new ATOM 786 N TRP A 49 -12.287 -12.950 -13.119 1.00 0.00 N ATOM 787 CA TRP A 49 -12.022 -12.495 -11.762 1.00 0.00 C ATOM 788 C TRP A 49 -12.201 -13.659 -10.796 1.00 0.00 C ATOM 789 O TRP A 49 -12.382 -14.800 -11.224 1.00 0.00 O ATOM 790 CB TRP A 49 -12.959 -11.350 -11.365 1.00 0.00 C ATOM 791 CG TRP A 49 -12.370 -9.991 -11.578 1.00 0.00 C ATOM 792 CD1 TRP A 49 -12.880 -8.983 -12.339 1.00 0.00 C ATOM 793 CD2 TRP A 49 -11.148 -9.499 -11.020 1.00 0.00 C ATOM 794 NE1 TRP A 49 -12.052 -7.886 -12.280 1.00 0.00 N ATOM 795 CE2 TRP A 49 -10.981 -8.181 -11.477 1.00 0.00 C ATOM 796 CE3 TRP A 49 -10.181 -10.043 -10.170 1.00 0.00 C ATOM 797 CZ2 TRP A 49 -9.886 -7.403 -11.117 1.00 0.00 C ATOM 798 CZ3 TRP A 49 -9.092 -9.270 -9.819 1.00 0.00 C ATOM 799 CH2 TRP A 49 -8.955 -7.961 -10.289 1.00 0.00 C ATOM 0 H TRP A 49 -12.925 -13.744 -13.165 1.00 0.00 H new ATOM 0 HA TRP A 49 -10.998 -12.125 -11.718 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -13.881 -11.431 -11.940 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -13.228 -11.460 -10.314 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -13.798 -9.037 -12.905 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -12.209 -6.998 -12.756 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.284 -11.050 -9.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -9.776 -6.392 -11.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.334 -9.684 -9.171 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.095 -7.379 -9.991 1.00 0.00 H new ATOM 810 N ASN A 50 -12.155 -13.374 -9.498 1.00 0.00 N ATOM 811 CA ASN A 50 -12.381 -14.400 -8.481 1.00 0.00 C ATOM 812 C ASN A 50 -13.802 -14.940 -8.571 1.00 0.00 C ATOM 813 O ASN A 50 -14.027 -16.142 -8.442 1.00 0.00 O ATOM 814 CB ASN A 50 -12.106 -13.841 -7.080 1.00 0.00 C ATOM 815 CG ASN A 50 -12.872 -12.563 -6.795 1.00 0.00 C ATOM 816 OD1 ASN A 50 -12.436 -11.484 -7.171 1.00 0.00 O ATOM 817 ND2 ASN A 50 -14.004 -12.672 -6.118 1.00 0.00 N ATOM 0 H ASN A 50 -11.964 -12.444 -9.125 1.00 0.00 H new ATOM 0 HA ASN A 50 -11.689 -15.222 -8.665 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -12.372 -14.592 -6.336 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -11.038 -13.650 -6.973 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -14.546 -11.838 -5.893 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -14.335 -13.590 -5.822 1.00 0.00 H new ATOM 857 N GLN A 54 -17.415 -8.483 -4.258 1.00 0.00 N ATOM 858 CA GLN A 54 -17.580 -8.256 -2.827 1.00 0.00 C ATOM 859 C GLN A 54 -16.272 -8.606 -2.133 1.00 0.00 C ATOM 860 O GLN A 54 -16.105 -8.425 -0.926 1.00 0.00 O ATOM 861 CB GLN A 54 -18.747 -9.085 -2.265 1.00 0.00 C ATOM 862 CG GLN A 54 -19.096 -8.756 -0.819 1.00 0.00 C ATOM 863 CD GLN A 54 -20.300 -9.526 -0.311 1.00 0.00 C ATOM 864 OE1 GLN A 54 -20.172 -10.621 0.239 1.00 0.00 O ATOM 865 NE2 GLN A 54 -21.478 -8.949 -0.473 1.00 0.00 N ATOM 0 HA GLN A 54 -17.822 -7.209 -2.646 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -19.627 -8.924 -2.887 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -18.496 -10.143 -2.336 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -18.237 -8.975 -0.185 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -19.292 -7.687 -0.732 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -21.542 -8.041 -0.934 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -22.323 -9.411 -0.137 1.00 0.00 H new ATOM 874 N ARG A 55 -15.340 -9.092 -2.935 1.00 0.00 N ATOM 875 CA ARG A 55 -14.014 -9.438 -2.475 1.00 0.00 C ATOM 876 C ARG A 55 -13.068 -8.257 -2.663 1.00 0.00 C ATOM 877 O ARG A 55 -12.786 -7.853 -3.791 1.00 0.00 O ATOM 878 CB ARG A 55 -13.499 -10.667 -3.234 1.00 0.00 C ATOM 879 CG ARG A 55 -13.852 -11.992 -2.571 1.00 0.00 C ATOM 880 CD ARG A 55 -15.350 -12.189 -2.414 1.00 0.00 C ATOM 881 NE ARG A 55 -15.657 -13.364 -1.595 1.00 0.00 N ATOM 882 CZ ARG A 55 -16.887 -13.829 -1.387 1.00 0.00 C ATOM 883 NH1 ARG A 55 -17.925 -13.278 -1.998 1.00 0.00 N ATOM 884 NH2 ARG A 55 -17.080 -14.869 -0.589 1.00 0.00 N ATOM 0 H ARG A 55 -15.487 -9.257 -3.931 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.058 -9.679 -1.413 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.909 -10.656 -4.244 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.415 -10.596 -3.329 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.442 -12.810 -3.163 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.379 -12.040 -1.590 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -15.788 -11.302 -1.957 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.808 -12.300 -3.397 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.879 -13.857 -1.156 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -17.785 -12.492 -2.633 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -18.864 -13.640 -1.834 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.285 -15.316 -0.132 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -18.024 -15.223 -0.432 1.00 0.00 H new ATOM 898 N PRO A 56 -12.605 -7.668 -1.551 1.00 0.00 N ATOM 899 CA PRO A 56 -11.653 -6.550 -1.569 1.00 0.00 C ATOM 900 C PRO A 56 -10.375 -6.893 -2.325 1.00 0.00 C ATOM 901 O PRO A 56 -9.847 -7.998 -2.202 1.00 0.00 O ATOM 902 CB PRO A 56 -11.337 -6.309 -0.091 1.00 0.00 C ATOM 903 CG PRO A 56 -12.474 -6.914 0.660 1.00 0.00 C ATOM 904 CD PRO A 56 -12.984 -8.050 -0.183 1.00 0.00 C ATOM 0 HA PRO A 56 -12.070 -5.679 -2.075 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.391 -6.772 0.189 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.247 -5.244 0.123 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.148 -7.271 1.637 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.259 -6.178 0.836 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.532 -8.998 0.107 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -14.063 -8.168 -0.085 1.00 0.00 H new ATOM 912 N PHE A 57 -9.877 -5.936 -3.095 1.00 0.00 N ATOM 913 CA PHE A 57 -8.684 -6.144 -3.894 1.00 0.00 C ATOM 914 C PHE A 57 -7.530 -5.300 -3.359 1.00 0.00 C ATOM 915 O PHE A 57 -7.742 -4.310 -2.657 1.00 0.00 O ATOM 916 CB PHE A 57 -8.970 -5.805 -5.364 1.00 0.00 C ATOM 917 CG PHE A 57 -9.965 -6.735 -6.009 1.00 0.00 C ATOM 918 CD1 PHE A 57 -11.171 -6.265 -6.525 1.00 0.00 C ATOM 919 CD2 PHE A 57 -9.694 -8.090 -6.089 1.00 0.00 C ATOM 920 CE1 PHE A 57 -12.073 -7.134 -7.105 1.00 0.00 C ATOM 921 CE2 PHE A 57 -10.595 -8.959 -6.670 1.00 0.00 C ATOM 922 CZ PHE A 57 -11.785 -8.480 -7.178 1.00 0.00 C ATOM 0 H PHE A 57 -10.285 -5.005 -3.181 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.395 -7.193 -3.830 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.344 -4.783 -5.428 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.036 -5.838 -5.925 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.402 -5.211 -6.471 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.765 -8.472 -5.692 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -13.005 -6.759 -7.502 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.369 -10.013 -6.727 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.491 -9.159 -7.633 1.00 0.00 H new ATOM 932 N GLU A 58 -6.312 -5.702 -3.676 1.00 0.00 N ATOM 933 CA GLU A 58 -5.126 -4.986 -3.227 1.00 0.00 C ATOM 934 C GLU A 58 -4.157 -4.821 -4.389 1.00 0.00 C ATOM 935 O GLU A 58 -3.853 -5.782 -5.083 1.00 0.00 O ATOM 936 CB GLU A 58 -4.450 -5.742 -2.076 1.00 0.00 C ATOM 937 CG GLU A 58 -5.334 -5.906 -0.849 1.00 0.00 C ATOM 938 CD GLU A 58 -4.682 -6.727 0.245 1.00 0.00 C ATOM 939 OE1 GLU A 58 -3.964 -6.145 1.087 1.00 0.00 O ATOM 940 OE2 GLU A 58 -4.896 -7.957 0.283 1.00 0.00 O ATOM 0 H GLU A 58 -6.115 -6.525 -4.246 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.422 -4.001 -2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.147 -6.728 -2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.541 -5.213 -1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.586 -4.921 -0.455 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.270 -6.381 -1.143 1.00 0.00 H new ATOM 947 N ALA A 59 -3.679 -3.611 -4.612 1.00 0.00 N ATOM 948 CA ALA A 59 -2.757 -3.375 -5.710 1.00 0.00 C ATOM 949 C ALA A 59 -1.321 -3.387 -5.206 1.00 0.00 C ATOM 950 O ALA A 59 -0.964 -2.635 -4.299 1.00 0.00 O ATOM 951 CB ALA A 59 -3.072 -2.055 -6.397 1.00 0.00 C ATOM 0 H ALA A 59 -3.909 -2.786 -4.057 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.874 -4.176 -6.440 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.371 -1.895 -7.217 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.089 -2.082 -6.789 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.982 -1.240 -5.679 1.00 0.00 H new ATOM 957 N ARG A 60 -0.510 -4.266 -5.783 1.00 0.00 N ATOM 958 CA ARG A 60 0.891 -4.374 -5.416 1.00 0.00 C ATOM 959 C ARG A 60 1.764 -3.967 -6.598 1.00 0.00 C ATOM 960 O ARG A 60 1.891 -4.708 -7.576 1.00 0.00 O ATOM 961 CB ARG A 60 1.205 -5.803 -4.963 1.00 0.00 C ATOM 962 CG ARG A 60 2.578 -5.965 -4.336 1.00 0.00 C ATOM 963 CD ARG A 60 2.733 -7.320 -3.657 1.00 0.00 C ATOM 964 NE ARG A 60 2.689 -8.427 -4.609 1.00 0.00 N ATOM 965 CZ ARG A 60 2.353 -9.676 -4.288 1.00 0.00 C ATOM 966 NH1 ARG A 60 1.997 -9.978 -3.045 1.00 0.00 N ATOM 967 NH2 ARG A 60 2.365 -10.623 -5.216 1.00 0.00 N ATOM 0 H ARG A 60 -0.804 -4.917 -6.511 1.00 0.00 H new ATOM 0 HA ARG A 60 1.104 -3.702 -4.585 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.449 -6.120 -4.244 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.128 -6.470 -5.821 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.344 -5.853 -5.104 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.740 -5.172 -3.606 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.679 -7.347 -3.116 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.941 -7.447 -2.919 1.00 0.00 H new ATOM 0 HE ARG A 60 2.931 -8.232 -5.581 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.979 -9.252 -2.329 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.741 -10.936 -2.806 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.631 -10.395 -6.174 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.108 -11.579 -4.972 1.00 0.00 H new ATOM 981 N LEU A 61 2.339 -2.777 -6.510 1.00 0.00 N ATOM 982 CA LEU A 61 3.129 -2.215 -7.598 1.00 0.00 C ATOM 983 C LEU A 61 4.619 -2.313 -7.291 1.00 0.00 C ATOM 984 O LEU A 61 5.073 -1.890 -6.227 1.00 0.00 O ATOM 985 CB LEU A 61 2.745 -0.748 -7.825 1.00 0.00 C ATOM 986 CG LEU A 61 1.257 -0.491 -8.083 1.00 0.00 C ATOM 987 CD1 LEU A 61 0.999 0.996 -8.278 1.00 0.00 C ATOM 988 CD2 LEU A 61 0.777 -1.279 -9.291 1.00 0.00 C ATOM 0 H LEU A 61 2.273 -2.176 -5.688 1.00 0.00 H new ATOM 0 HA LEU A 61 2.920 -2.788 -8.502 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.050 -0.171 -6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.314 -0.368 -8.673 1.00 0.00 H new ATOM 0 HG LEU A 61 0.695 -0.827 -7.211 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.063 1.160 -8.460 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.302 1.538 -7.382 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.573 1.356 -9.132 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.282 -1.082 -9.456 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.344 -0.977 -10.171 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.924 -2.344 -9.113 1.00 0.00 H new ATOM 1000 N TYR A 62 5.372 -2.870 -8.227 1.00 0.00 N ATOM 1001 CA TYR A 62 6.814 -3.014 -8.071 1.00 0.00 C ATOM 1002 C TYR A 62 7.546 -1.906 -8.809 1.00 0.00 C ATOM 1003 O TYR A 62 7.503 -1.838 -10.038 1.00 0.00 O ATOM 1004 CB TYR A 62 7.290 -4.362 -8.616 1.00 0.00 C ATOM 1005 CG TYR A 62 6.709 -5.564 -7.914 1.00 0.00 C ATOM 1006 CD1 TYR A 62 5.420 -5.999 -8.192 1.00 0.00 C ATOM 1007 CD2 TYR A 62 7.456 -6.276 -6.984 1.00 0.00 C ATOM 1008 CE1 TYR A 62 4.891 -7.103 -7.562 1.00 0.00 C ATOM 1009 CE2 TYR A 62 6.931 -7.384 -6.348 1.00 0.00 C ATOM 1010 CZ TYR A 62 5.649 -7.792 -6.642 1.00 0.00 C ATOM 1011 OH TYR A 62 5.123 -8.896 -6.019 1.00 0.00 O ATOM 0 H TYR A 62 5.007 -3.232 -9.108 1.00 0.00 H new ATOM 0 HA TYR A 62 7.035 -2.955 -7.005 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.039 -4.420 -9.675 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.377 -4.405 -8.543 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.823 -5.463 -8.914 1.00 0.00 H new ATOM 0 HD2 TYR A 62 8.462 -5.958 -6.755 1.00 0.00 H new ATOM 0 HE1 TYR A 62 3.886 -7.427 -7.788 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.522 -7.927 -5.625 1.00 0.00 H new ATOM 0 HH TYR A 62 4.455 -9.314 -6.602 1.00 0.00 H new ATOM 1021 N LEU A 63 8.201 -1.034 -8.058 1.00 0.00 N ATOM 1022 CA LEU A 63 9.028 0.007 -8.652 1.00 0.00 C ATOM 1023 C LEU A 63 10.488 -0.239 -8.312 1.00 0.00 C ATOM 1024 O LEU A 63 11.366 0.548 -8.666 1.00 0.00 O ATOM 1025 CB LEU A 63 8.606 1.401 -8.176 1.00 0.00 C ATOM 1026 CG LEU A 63 7.456 2.054 -8.950 1.00 0.00 C ATOM 1027 CD1 LEU A 63 7.802 2.166 -10.428 1.00 0.00 C ATOM 1028 CD2 LEU A 63 6.157 1.288 -8.760 1.00 0.00 C ATOM 0 H LEU A 63 8.177 -1.026 -7.038 1.00 0.00 H new ATOM 0 HA LEU A 63 8.893 -0.031 -9.733 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.320 1.334 -7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.473 2.059 -8.228 1.00 0.00 H new ATOM 0 HG LEU A 63 7.312 3.058 -8.550 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.973 2.632 -10.961 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.698 2.775 -10.547 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.982 1.171 -10.836 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.361 1.777 -9.322 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.281 0.267 -9.120 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.896 1.271 -7.702 1.00 0.00 H new ATOM 1040 N GLY A 64 10.731 -1.337 -7.617 1.00 0.00 N ATOM 1041 CA GLY A 64 12.074 -1.713 -7.243 1.00 0.00 C ATOM 1042 C GLY A 64 12.071 -2.961 -6.392 1.00 0.00 C ATOM 1043 O GLY A 64 11.015 -3.557 -6.170 1.00 0.00 O ATOM 0 H GLY A 64 10.008 -1.984 -7.301 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.671 -1.881 -8.139 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.545 -0.897 -6.695 1.00 0.00 H new ATOM 1047 N LEU A 65 13.242 -3.357 -5.912 1.00 0.00 N ATOM 1048 CA LEU A 65 13.358 -4.517 -5.035 1.00 0.00 C ATOM 1049 C LEU A 65 12.702 -4.224 -3.693 1.00 0.00 C ATOM 1050 O LEU A 65 12.003 -5.069 -3.128 1.00 0.00 O ATOM 1051 CB LEU A 65 14.828 -4.908 -4.832 1.00 0.00 C ATOM 1052 CG LEU A 65 15.452 -5.755 -5.951 1.00 0.00 C ATOM 1053 CD1 LEU A 65 15.479 -5.004 -7.275 1.00 0.00 C ATOM 1054 CD2 LEU A 65 16.856 -6.189 -5.560 1.00 0.00 C ATOM 0 H LEU A 65 14.127 -2.892 -6.115 1.00 0.00 H new ATOM 0 HA LEU A 65 12.846 -5.355 -5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.415 -3.997 -4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.913 -5.458 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 65 14.829 -6.639 -6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 65 15.927 -5.635 -8.042 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.461 -4.745 -7.567 1.00 0.00 H new ATOM 0 HD13 LEU A 65 16.068 -4.093 -7.165 1.00 0.00 H new ATOM 0 HD21 LEU A 65 17.288 -6.789 -6.361 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.476 -5.308 -5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.812 -6.782 -4.646 1.00 0.00 H new ATOM 1066 N ASP A 66 12.931 -3.022 -3.185 1.00 0.00 N ATOM 1067 CA ASP A 66 12.306 -2.590 -1.943 1.00 0.00 C ATOM 1068 C ASP A 66 11.115 -1.683 -2.220 1.00 0.00 C ATOM 1069 O ASP A 66 10.127 -1.719 -1.497 1.00 0.00 O ATOM 1070 CB ASP A 66 13.308 -1.862 -1.041 1.00 0.00 C ATOM 1071 CG ASP A 66 12.651 -1.244 0.181 1.00 0.00 C ATOM 1072 OD1 ASP A 66 12.009 -1.981 0.959 1.00 0.00 O ATOM 1073 OD2 ASP A 66 12.778 -0.016 0.376 1.00 0.00 O ATOM 0 H ASP A 66 13.545 -2.329 -3.613 1.00 0.00 H new ATOM 0 HA ASP A 66 11.958 -3.485 -1.427 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.078 -2.563 -0.720 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.807 -1.081 -1.615 1.00 0.00 H new ATOM 1078 N VAL A 67 11.204 -0.888 -3.281 1.00 0.00 N ATOM 1079 CA VAL A 67 10.162 0.085 -3.590 1.00 0.00 C ATOM 1080 C VAL A 67 8.865 -0.617 -3.991 1.00 0.00 C ATOM 1081 O VAL A 67 8.687 -1.020 -5.145 1.00 0.00 O ATOM 1082 CB VAL A 67 10.599 1.053 -4.711 1.00 0.00 C ATOM 1083 CG1 VAL A 67 9.581 2.170 -4.885 1.00 0.00 C ATOM 1084 CG2 VAL A 67 11.978 1.622 -4.413 1.00 0.00 C ATOM 0 H VAL A 67 11.983 -0.898 -3.939 1.00 0.00 H new ATOM 0 HA VAL A 67 9.989 0.667 -2.685 1.00 0.00 H new ATOM 0 HB VAL A 67 10.652 0.495 -5.646 1.00 0.00 H new ATOM 0 HG11 VAL A 67 9.909 2.840 -5.680 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.613 1.743 -5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.491 2.729 -3.953 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.271 2.302 -5.213 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.952 2.163 -3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 67 12.700 0.809 -4.345 1.00 0.00 H new ATOM 1094 N LEU A 68 7.976 -0.769 -3.021 1.00 0.00 N ATOM 1095 CA LEU A 68 6.728 -1.477 -3.225 1.00 0.00 C ATOM 1096 C LEU A 68 5.547 -0.567 -2.911 1.00 0.00 C ATOM 1097 O LEU A 68 5.434 -0.038 -1.807 1.00 0.00 O ATOM 1098 CB LEU A 68 6.685 -2.719 -2.331 1.00 0.00 C ATOM 1099 CG LEU A 68 5.509 -3.662 -2.579 1.00 0.00 C ATOM 1100 CD1 LEU A 68 5.622 -4.299 -3.954 1.00 0.00 C ATOM 1101 CD2 LEU A 68 5.449 -4.730 -1.500 1.00 0.00 C ATOM 0 H LEU A 68 8.101 -0.406 -2.076 1.00 0.00 H new ATOM 0 HA LEU A 68 6.663 -1.785 -4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.612 -3.277 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.657 -2.396 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 68 4.586 -3.083 -2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.777 -4.968 -4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.620 -3.521 -4.717 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.551 -4.866 -4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.606 -5.394 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.374 -5.307 -1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.324 -4.257 -0.526 1.00 0.00 H new ATOM 1113 N ILE A 69 4.677 -0.382 -3.887 1.00 0.00 N ATOM 1114 CA ILE A 69 3.497 0.443 -3.705 1.00 0.00 C ATOM 1115 C ILE A 69 2.280 -0.436 -3.439 1.00 0.00 C ATOM 1116 O ILE A 69 1.784 -1.115 -4.336 1.00 0.00 O ATOM 1117 CB ILE A 69 3.243 1.340 -4.938 1.00 0.00 C ATOM 1118 CG1 ILE A 69 4.434 2.277 -5.164 1.00 0.00 C ATOM 1119 CG2 ILE A 69 1.957 2.142 -4.770 1.00 0.00 C ATOM 1120 CD1 ILE A 69 4.267 3.199 -6.354 1.00 0.00 C ATOM 0 H ILE A 69 4.766 -0.793 -4.816 1.00 0.00 H new ATOM 0 HA ILE A 69 3.669 1.091 -2.846 1.00 0.00 H new ATOM 0 HB ILE A 69 3.130 0.699 -5.812 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.586 2.879 -4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.334 1.679 -5.303 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.800 2.766 -5.650 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.115 1.459 -4.654 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.036 2.775 -3.886 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.149 3.832 -6.451 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.145 2.605 -7.260 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.386 3.824 -6.209 1.00 0.00 H new ATOM 1132 N ARG A 70 1.824 -0.446 -2.197 1.00 0.00 N ATOM 1133 CA ARG A 70 0.647 -1.217 -1.822 1.00 0.00 C ATOM 1134 C ARG A 70 -0.535 -0.286 -1.565 1.00 0.00 C ATOM 1135 O ARG A 70 -0.426 0.679 -0.802 1.00 0.00 O ATOM 1136 CB ARG A 70 0.919 -2.074 -0.575 1.00 0.00 C ATOM 1137 CG ARG A 70 1.375 -1.272 0.632 1.00 0.00 C ATOM 1138 CD ARG A 70 1.212 -2.049 1.930 1.00 0.00 C ATOM 1139 NE ARG A 70 2.018 -3.269 1.965 1.00 0.00 N ATOM 1140 CZ ARG A 70 3.129 -3.402 2.690 1.00 0.00 C ATOM 1141 NH1 ARG A 70 3.624 -2.361 3.352 1.00 0.00 N ATOM 1142 NH2 ARG A 70 3.749 -4.574 2.740 1.00 0.00 N ATOM 0 H ARG A 70 2.251 0.072 -1.429 1.00 0.00 H new ATOM 0 HA ARG A 70 0.405 -1.884 -2.650 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.012 -2.620 -0.315 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.680 -2.817 -0.815 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.421 -0.992 0.507 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.802 -0.347 0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.491 -1.410 2.768 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.162 -2.309 2.063 1.00 0.00 H new ATOM 0 HE ARG A 70 1.713 -4.063 1.403 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.154 -1.457 3.306 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.474 -2.466 3.906 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.376 -5.371 2.224 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.599 -4.678 3.294 1.00 0.00 H new ATOM 1156 N MET A 71 -1.652 -0.560 -2.212 1.00 0.00 N ATOM 1157 CA MET A 71 -2.854 0.232 -2.006 1.00 0.00 C ATOM 1158 C MET A 71 -4.094 -0.654 -2.039 1.00 0.00 C ATOM 1159 O MET A 71 -4.334 -1.376 -3.007 1.00 0.00 O ATOM 1160 CB MET A 71 -2.954 1.356 -3.050 1.00 0.00 C ATOM 1161 CG MET A 71 -2.913 0.879 -4.493 1.00 0.00 C ATOM 1162 SD MET A 71 -2.896 2.235 -5.686 1.00 0.00 S ATOM 1163 CE MET A 71 -4.476 3.012 -5.357 1.00 0.00 C ATOM 0 H MET A 71 -1.754 -1.322 -2.883 1.00 0.00 H new ATOM 0 HA MET A 71 -2.793 0.694 -1.021 1.00 0.00 H new ATOM 0 HB2 MET A 71 -3.882 1.904 -2.888 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.136 2.058 -2.889 1.00 0.00 H new ATOM 0 HG2 MET A 71 -2.027 0.262 -4.641 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.779 0.245 -4.685 1.00 0.00 H new ATOM 0 HE1 MET A 71 -4.961 3.265 -6.300 1.00 0.00 H new ATOM 0 HE2 MET A 71 -5.110 2.325 -4.796 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.321 3.920 -4.774 1.00 0.00 H new ATOM 1173 N GLU A 72 -4.855 -0.613 -0.956 1.00 0.00 N ATOM 1174 CA GLU A 72 -6.101 -1.355 -0.850 1.00 0.00 C ATOM 1175 C GLU A 72 -7.145 -0.718 -1.758 1.00 0.00 C ATOM 1176 O GLU A 72 -7.395 0.486 -1.670 1.00 0.00 O ATOM 1177 CB GLU A 72 -6.571 -1.342 0.603 1.00 0.00 C ATOM 1178 CG GLU A 72 -7.754 -2.247 0.892 1.00 0.00 C ATOM 1179 CD GLU A 72 -8.195 -2.153 2.336 1.00 0.00 C ATOM 1180 OE1 GLU A 72 -9.265 -1.567 2.598 1.00 0.00 O ATOM 1181 OE2 GLU A 72 -7.461 -2.646 3.218 1.00 0.00 O ATOM 0 H GLU A 72 -4.626 -0.065 -0.127 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.951 -2.389 -1.162 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.739 -1.637 1.243 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.836 -0.321 0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.585 -1.978 0.240 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.488 -3.278 0.660 1.00 0.00 H new ATOM 1188 N ILE A 73 -7.745 -1.514 -2.629 1.00 0.00 N ATOM 1189 CA ILE A 73 -8.648 -0.987 -3.640 1.00 0.00 C ATOM 1190 C ILE A 73 -9.951 -1.775 -3.707 1.00 0.00 C ATOM 1191 O ILE A 73 -10.003 -2.959 -3.379 1.00 0.00 O ATOM 1192 CB ILE A 73 -7.988 -0.981 -5.041 1.00 0.00 C ATOM 1193 CG1 ILE A 73 -7.365 -2.348 -5.343 1.00 0.00 C ATOM 1194 CG2 ILE A 73 -6.944 0.124 -5.136 1.00 0.00 C ATOM 1195 CD1 ILE A 73 -6.710 -2.444 -6.704 1.00 0.00 C ATOM 0 H ILE A 73 -7.623 -2.526 -2.656 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.873 0.037 -3.343 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.758 -0.784 -5.787 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.622 -2.573 -4.578 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.139 -3.112 -5.270 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.491 0.112 -6.127 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.420 1.090 -4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.173 -0.038 -4.383 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.294 -3.443 -6.838 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.452 -2.253 -7.479 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.911 -1.706 -6.776 1.00 0.00 H new ATOM 1207 N SER A 74 -11.006 -1.100 -4.113 1.00 0.00 N ATOM 1208 CA SER A 74 -12.287 -1.740 -4.337 1.00 0.00 C ATOM 1209 C SER A 74 -12.614 -1.723 -5.820 1.00 0.00 C ATOM 1210 O SER A 74 -12.372 -0.731 -6.499 1.00 0.00 O ATOM 1211 CB SER A 74 -13.375 -1.017 -3.543 1.00 0.00 C ATOM 1212 OG SER A 74 -13.270 0.388 -3.710 1.00 0.00 O ATOM 0 H SER A 74 -11.001 -0.097 -4.297 1.00 0.00 H new ATOM 0 HA SER A 74 -12.239 -2.775 -3.999 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.358 -1.355 -3.873 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.289 -1.270 -2.486 1.00 0.00 H new ATOM 0 HG SER A 74 -14.103 0.735 -4.091 1.00 0.00 H new ATOM 1218 N LEU A 75 -13.137 -2.820 -6.333 1.00 0.00 N ATOM 1219 CA LEU A 75 -13.516 -2.874 -7.733 1.00 0.00 C ATOM 1220 C LEU A 75 -14.804 -2.083 -7.947 1.00 0.00 C ATOM 1221 O LEU A 75 -15.889 -2.542 -7.602 1.00 0.00 O ATOM 1222 CB LEU A 75 -13.684 -4.323 -8.187 1.00 0.00 C ATOM 1223 CG LEU A 75 -14.017 -4.502 -9.665 1.00 0.00 C ATOM 1224 CD1 LEU A 75 -12.963 -3.842 -10.537 1.00 0.00 C ATOM 1225 CD2 LEU A 75 -14.146 -5.977 -10.009 1.00 0.00 C ATOM 0 H LEU A 75 -13.308 -3.678 -5.808 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.726 -2.425 -8.335 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.764 -4.865 -7.969 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.474 -4.784 -7.594 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.974 -4.018 -9.860 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.220 -3.982 -11.587 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.920 -2.776 -10.313 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.991 -4.294 -10.338 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.384 -6.084 -11.067 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.205 -6.484 -9.795 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.942 -6.422 -9.411 1.00 0.00 H new ATOM 1237 N ALA A 76 -14.665 -0.886 -8.498 1.00 0.00 N ATOM 1238 CA ALA A 76 -15.794 0.016 -8.666 1.00 0.00 C ATOM 1239 C ALA A 76 -16.552 -0.278 -9.955 1.00 0.00 C ATOM 1240 O ALA A 76 -17.784 -0.319 -9.968 1.00 0.00 O ATOM 1241 CB ALA A 76 -15.316 1.459 -8.650 1.00 0.00 C ATOM 0 H ALA A 76 -13.777 -0.516 -8.838 1.00 0.00 H new ATOM 0 HA ALA A 76 -16.480 -0.142 -7.834 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -16.169 2.126 -8.776 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.828 1.670 -7.698 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -14.608 1.617 -9.464 1.00 0.00 H new ATOM 1247 N TRP A 77 -15.815 -0.478 -11.038 1.00 0.00 N ATOM 1248 CA TRP A 77 -16.428 -0.765 -12.326 1.00 0.00 C ATOM 1249 C TRP A 77 -15.505 -1.607 -13.192 1.00 0.00 C ATOM 1250 O TRP A 77 -14.281 -1.490 -13.114 1.00 0.00 O ATOM 1251 CB TRP A 77 -16.829 0.531 -13.053 1.00 0.00 C ATOM 1252 CG TRP A 77 -15.708 1.504 -13.293 1.00 0.00 C ATOM 1253 CD1 TRP A 77 -15.248 2.459 -12.429 1.00 0.00 C ATOM 1254 CD2 TRP A 77 -14.930 1.641 -14.490 1.00 0.00 C ATOM 1255 NE1 TRP A 77 -14.229 3.173 -13.012 1.00 0.00 N ATOM 1256 CE2 TRP A 77 -14.014 2.690 -14.275 1.00 0.00 C ATOM 1257 CE3 TRP A 77 -14.912 0.975 -15.719 1.00 0.00 C ATOM 1258 CZ2 TRP A 77 -13.097 3.088 -15.244 1.00 0.00 C ATOM 1259 CZ3 TRP A 77 -14.002 1.373 -16.680 1.00 0.00 C ATOM 1260 CH2 TRP A 77 -13.104 2.420 -16.437 1.00 0.00 C ATOM 0 H TRP A 77 -14.796 -0.447 -11.051 1.00 0.00 H new ATOM 0 HA TRP A 77 -17.336 -1.339 -12.141 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -17.272 0.268 -14.014 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -17.604 1.030 -12.471 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -15.630 2.628 -11.433 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -13.716 3.939 -12.575 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -15.597 0.163 -15.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -12.404 3.896 -15.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -13.983 0.868 -17.635 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -12.403 2.705 -17.207 1.00 0.00 H new ATOM 1271 N ALA A 78 -16.099 -2.466 -14.003 1.00 0.00 N ATOM 1272 CA ALA A 78 -15.338 -3.344 -14.869 1.00 0.00 C ATOM 1273 C ALA A 78 -15.876 -3.293 -16.291 1.00 0.00 C ATOM 1274 O ALA A 78 -16.874 -3.937 -16.618 1.00 0.00 O ATOM 1275 CB ALA A 78 -15.362 -4.770 -14.336 1.00 0.00 C ATOM 0 H ALA A 78 -17.111 -2.573 -14.078 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.304 -3.000 -14.884 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.786 -5.416 -14.999 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.926 -4.793 -13.337 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.392 -5.124 -14.290 1.00 0.00 H new ATOM 1281 N ARG A 79 -15.208 -2.516 -17.124 1.00 0.00 N ATOM 1282 CA ARG A 79 -15.553 -2.410 -18.530 1.00 0.00 C ATOM 1283 C ARG A 79 -14.895 -3.557 -19.294 1.00 0.00 C ATOM 1284 O ARG A 79 -13.964 -3.352 -20.081 1.00 0.00 O ATOM 1285 CB ARG A 79 -15.098 -1.051 -19.074 1.00 0.00 C ATOM 1286 CG ARG A 79 -15.477 -0.790 -20.523 1.00 0.00 C ATOM 1287 CD ARG A 79 -16.980 -0.680 -20.713 1.00 0.00 C ATOM 1288 NE ARG A 79 -17.314 -0.326 -22.090 1.00 0.00 N ATOM 1289 CZ ARG A 79 -17.427 0.927 -22.531 1.00 0.00 C ATOM 1290 NH1 ARG A 79 -17.378 1.948 -21.683 1.00 0.00 N ATOM 1291 NH2 ARG A 79 -17.632 1.148 -23.821 1.00 0.00 N ATOM 0 H ARG A 79 -14.412 -1.942 -16.846 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.633 -2.480 -18.657 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.526 -0.264 -18.453 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.015 -0.980 -18.977 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -15.002 0.131 -20.861 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -15.092 -1.595 -21.148 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -17.452 -1.628 -20.454 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.381 0.072 -20.034 1.00 0.00 H new ATOM 0 HE ARG A 79 -17.470 -1.084 -22.755 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -17.253 1.777 -20.685 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -17.465 2.903 -22.029 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -17.702 0.363 -24.468 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -17.720 2.103 -24.167 1.00 0.00 H new ATOM 1305 N ASP A 80 -15.372 -4.765 -19.009 1.00 0.00 N ATOM 1306 CA ASP A 80 -14.835 -5.999 -19.581 1.00 0.00 C ATOM 1307 C ASP A 80 -13.383 -6.222 -19.162 1.00 0.00 C ATOM 1308 O ASP A 80 -13.113 -6.900 -18.170 1.00 0.00 O ATOM 1309 CB ASP A 80 -14.956 -6.009 -21.106 1.00 0.00 C ATOM 1310 CG ASP A 80 -14.550 -7.343 -21.695 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -15.205 -8.360 -21.370 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -13.593 -7.381 -22.487 1.00 0.00 O ATOM 0 H ASP A 80 -16.150 -4.918 -18.368 1.00 0.00 H new ATOM 0 HA ASP A 80 -15.434 -6.820 -19.187 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -15.984 -5.784 -21.390 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -14.330 -5.221 -21.525 1.00 0.00 H new ATOM 1317 N GLY A 81 -12.456 -5.635 -19.903 1.00 0.00 N ATOM 1318 CA GLY A 81 -11.053 -5.780 -19.587 1.00 0.00 C ATOM 1319 C GLY A 81 -10.512 -4.599 -18.808 1.00 0.00 C ATOM 1320 O GLY A 81 -9.505 -4.716 -18.108 1.00 0.00 O ATOM 0 H GLY A 81 -12.653 -5.058 -20.721 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.906 -6.692 -19.008 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.485 -5.894 -20.510 1.00 0.00 H new ATOM 1324 N LEU A 82 -11.189 -3.461 -18.922 1.00 0.00 N ATOM 1325 CA LEU A 82 -10.755 -2.250 -18.229 1.00 0.00 C ATOM 1326 C LEU A 82 -11.293 -2.252 -16.806 1.00 0.00 C ATOM 1327 O LEU A 82 -12.496 -2.159 -16.585 1.00 0.00 O ATOM 1328 CB LEU A 82 -11.233 -1.001 -18.978 1.00 0.00 C ATOM 1329 CG LEU A 82 -10.735 -0.875 -20.421 1.00 0.00 C ATOM 1330 CD1 LEU A 82 -11.243 0.412 -21.048 1.00 0.00 C ATOM 1331 CD2 LEU A 82 -9.214 -0.932 -20.469 1.00 0.00 C ATOM 0 H LEU A 82 -12.034 -3.350 -19.483 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.666 -2.233 -18.198 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -12.323 -0.996 -18.985 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.914 -0.119 -18.422 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.126 -1.715 -20.995 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.880 0.485 -22.073 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.333 0.411 -21.048 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.881 1.264 -20.473 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.879 -0.841 -21.502 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.800 -0.113 -19.880 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.872 -1.883 -20.059 1.00 0.00 H new ATOM 1343 N LEU A 83 -10.396 -2.351 -15.845 1.00 0.00 N ATOM 1344 CA LEU A 83 -10.794 -2.529 -14.457 1.00 0.00 C ATOM 1345 C LEU A 83 -10.530 -1.265 -13.649 1.00 0.00 C ATOM 1346 O LEU A 83 -9.378 -0.900 -13.411 1.00 0.00 O ATOM 1347 CB LEU A 83 -10.038 -3.714 -13.864 1.00 0.00 C ATOM 1348 CG LEU A 83 -10.122 -4.999 -14.689 1.00 0.00 C ATOM 1349 CD1 LEU A 83 -9.169 -6.046 -14.139 1.00 0.00 C ATOM 1350 CD2 LEU A 83 -11.550 -5.527 -14.714 1.00 0.00 C ATOM 0 H LEU A 83 -9.388 -2.312 -15.996 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.865 -2.728 -14.417 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -8.989 -3.439 -13.750 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.426 -3.913 -12.865 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.826 -4.772 -15.713 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.241 -6.954 -14.738 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.148 -5.666 -14.179 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.432 -6.271 -13.105 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.589 -6.442 -15.306 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -11.877 -5.739 -13.696 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.207 -4.779 -15.158 1.00 0.00 H new ATOM 1362 N GLY A 84 -11.605 -0.599 -13.245 1.00 0.00 N ATOM 1363 CA GLY A 84 -11.482 0.632 -12.493 1.00 0.00 C ATOM 1364 C GLY A 84 -11.662 0.410 -11.009 1.00 0.00 C ATOM 1365 O GLY A 84 -12.731 -0.011 -10.557 1.00 0.00 O ATOM 0 H GLY A 84 -12.565 -0.893 -13.427 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.502 1.073 -12.677 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.225 1.348 -12.845 1.00 0.00 H new ATOM 1369 N PHE A 85 -10.618 0.687 -10.250 1.00 0.00 N ATOM 1370 CA PHE A 85 -10.646 0.485 -8.813 1.00 0.00 C ATOM 1371 C PHE A 85 -10.672 1.814 -8.076 1.00 0.00 C ATOM 1372 O PHE A 85 -10.094 2.803 -8.532 1.00 0.00 O ATOM 1373 CB PHE A 85 -9.431 -0.321 -8.357 1.00 0.00 C ATOM 1374 CG PHE A 85 -9.369 -1.704 -8.931 1.00 0.00 C ATOM 1375 CD1 PHE A 85 -8.737 -1.941 -10.139 1.00 0.00 C ATOM 1376 CD2 PHE A 85 -9.937 -2.770 -8.256 1.00 0.00 C ATOM 1377 CE1 PHE A 85 -8.678 -3.214 -10.666 1.00 0.00 C ATOM 1378 CE2 PHE A 85 -9.880 -4.046 -8.778 1.00 0.00 C ATOM 1379 CZ PHE A 85 -9.250 -4.268 -9.983 1.00 0.00 C ATOM 0 H PHE A 85 -9.736 1.054 -10.607 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.555 -0.069 -8.577 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.525 0.218 -8.634 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.440 -0.390 -7.269 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.285 -1.120 -10.675 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.430 -2.601 -7.310 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.185 -3.386 -11.611 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -10.329 -4.870 -8.243 1.00 0.00 H new ATOM 0 HZ PHE A 85 -9.204 -5.266 -10.393 1.00 0.00 H new ATOM 1389 N GLU A 86 -11.347 1.825 -6.942 1.00 0.00 N ATOM 1390 CA GLU A 86 -11.389 2.982 -6.066 1.00 0.00 C ATOM 1391 C GLU A 86 -10.481 2.733 -4.863 1.00 0.00 C ATOM 1392 O GLU A 86 -10.301 1.588 -4.441 1.00 0.00 O ATOM 1393 CB GLU A 86 -12.830 3.249 -5.618 1.00 0.00 C ATOM 1394 CG GLU A 86 -12.993 4.482 -4.745 1.00 0.00 C ATOM 1395 CD GLU A 86 -14.442 4.773 -4.423 1.00 0.00 C ATOM 1396 OE1 GLU A 86 -14.928 4.309 -3.371 1.00 0.00 O ATOM 1397 OE2 GLU A 86 -15.105 5.468 -5.221 1.00 0.00 O ATOM 0 H GLU A 86 -11.884 1.028 -6.600 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.034 3.863 -6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.459 3.358 -6.502 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.196 2.380 -5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.438 4.343 -3.817 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.556 5.343 -5.251 1.00 0.00 H new ATOM 1404 N CYS A 87 -9.901 3.790 -4.323 1.00 0.00 N ATOM 1405 CA CYS A 87 -8.952 3.658 -3.228 1.00 0.00 C ATOM 1406 C CYS A 87 -9.657 3.429 -1.891 1.00 0.00 C ATOM 1407 O CYS A 87 -10.451 4.256 -1.444 1.00 0.00 O ATOM 1408 CB CYS A 87 -8.074 4.907 -3.156 1.00 0.00 C ATOM 1409 SG CYS A 87 -9.004 6.456 -3.146 1.00 0.00 S ATOM 0 H CYS A 87 -10.069 4.750 -4.624 1.00 0.00 H new ATOM 0 HA CYS A 87 -8.331 2.784 -3.423 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -7.461 4.857 -2.256 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.392 4.909 -4.006 1.00 0.00 H new ATOM 0 HG CYS A 87 -8.227 7.431 -3.513 1.00 0.00 H new ATOM 1415 N GLN A 88 -9.367 2.301 -1.262 1.00 0.00 N ATOM 1416 CA GLN A 88 -9.899 2.005 0.061 1.00 0.00 C ATOM 1417 C GLN A 88 -8.892 2.379 1.141 1.00 0.00 C ATOM 1418 O GLN A 88 -9.270 2.829 2.223 1.00 0.00 O ATOM 1419 CB GLN A 88 -10.266 0.527 0.184 1.00 0.00 C ATOM 1420 CG GLN A 88 -11.527 0.141 -0.567 1.00 0.00 C ATOM 1421 CD GLN A 88 -11.862 -1.331 -0.431 1.00 0.00 C ATOM 1422 OE1 GLN A 88 -10.844 -2.167 -0.333 1.00 0.00 O flip ATOM 1423 NE2 GLN A 88 -13.029 -1.715 -0.420 1.00 0.00 N flip ATOM 0 H GLN A 88 -8.765 1.573 -1.647 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.802 2.600 0.198 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.436 -0.075 -0.186 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.393 0.281 1.238 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -12.362 0.735 -0.196 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.406 0.386 -1.622 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -13.789 -1.039 -0.498 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.238 -2.710 -0.333 1.00 0.00 H new ATOM 1432 N HIS A 89 -7.609 2.183 0.849 1.00 0.00 N ATOM 1433 CA HIS A 89 -6.546 2.549 1.780 1.00 0.00 C ATOM 1434 C HIS A 89 -5.185 2.513 1.097 1.00 0.00 C ATOM 1435 O HIS A 89 -4.602 1.449 0.909 1.00 0.00 O ATOM 1436 CB HIS A 89 -6.534 1.615 3.001 1.00 0.00 C ATOM 1437 CG HIS A 89 -5.487 1.967 4.018 1.00 0.00 C ATOM 1438 ND1 HIS A 89 -5.605 3.031 4.885 1.00 0.00 N ATOM 1439 CD2 HIS A 89 -4.287 1.395 4.293 1.00 0.00 C ATOM 1440 CE1 HIS A 89 -4.529 3.101 5.644 1.00 0.00 C ATOM 1441 NE2 HIS A 89 -3.714 2.120 5.307 1.00 0.00 N ATOM 0 H HIS A 89 -7.280 1.773 -0.025 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.746 3.566 2.117 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -7.514 1.641 3.477 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -6.371 0.592 2.663 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -3.862 0.530 3.805 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.346 3.838 6.412 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.806 1.931 5.731 1.00 0.00 H new ATOM 1450 N ILE A 90 -4.687 3.675 0.718 1.00 0.00 N ATOM 1451 CA ILE A 90 -3.351 3.779 0.152 1.00 0.00 C ATOM 1452 C ILE A 90 -2.341 4.010 1.272 1.00 0.00 C ATOM 1453 O ILE A 90 -2.455 4.979 2.020 1.00 0.00 O ATOM 1454 CB ILE A 90 -3.254 4.927 -0.873 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -4.398 4.830 -1.887 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -1.908 4.889 -1.583 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -4.432 5.973 -2.879 1.00 0.00 C ATOM 0 H ILE A 90 -5.186 4.562 0.791 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.132 2.846 -0.367 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.339 5.876 -0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.309 3.890 -2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.346 4.799 -1.350 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.854 5.705 -2.304 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -1.107 4.997 -0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.798 3.938 -2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.268 5.835 -3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.552 6.915 -2.344 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.500 5.993 -3.444 1.00 0.00 H new ATOM 1469 N ASP A 91 -1.375 3.111 1.396 1.00 0.00 N ATOM 1470 CA ASP A 91 -0.411 3.180 2.492 1.00 0.00 C ATOM 1471 C ASP A 91 0.484 4.410 2.363 1.00 0.00 C ATOM 1472 O ASP A 91 0.759 4.878 1.255 1.00 0.00 O ATOM 1473 CB ASP A 91 0.447 1.914 2.548 1.00 0.00 C ATOM 1474 CG ASP A 91 1.363 1.896 3.757 1.00 0.00 C ATOM 1475 OD1 ASP A 91 2.507 2.382 3.653 1.00 0.00 O ATOM 1476 OD2 ASP A 91 0.935 1.413 4.824 1.00 0.00 O ATOM 0 H ASP A 91 -1.236 2.328 0.757 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.977 3.260 3.420 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -0.202 1.038 2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.045 1.842 1.640 1.00 0.00 H new ATOM 1481 N LEU A 92 0.937 4.916 3.504 1.00 0.00 N ATOM 1482 CA LEU A 92 1.744 6.131 3.556 1.00 0.00 C ATOM 1483 C LEU A 92 3.059 5.965 2.800 1.00 0.00 C ATOM 1484 O LEU A 92 3.508 6.889 2.114 1.00 0.00 O ATOM 1485 CB LEU A 92 2.022 6.508 5.010 1.00 0.00 C ATOM 1486 CG LEU A 92 0.777 6.694 5.878 1.00 0.00 C ATOM 1487 CD1 LEU A 92 1.172 6.948 7.321 1.00 0.00 C ATOM 1488 CD2 LEU A 92 -0.079 7.836 5.351 1.00 0.00 C ATOM 0 H LEU A 92 0.757 4.498 4.417 1.00 0.00 H new ATOM 0 HA LEU A 92 1.180 6.929 3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.646 5.735 5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.599 7.432 5.026 1.00 0.00 H new ATOM 0 HG LEU A 92 0.188 5.778 5.836 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.275 7.078 7.926 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.743 6.099 7.697 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.782 7.849 7.378 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.960 7.952 5.982 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.500 8.760 5.362 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.391 7.616 4.330 1.00 0.00 H new ATOM 1500 N ASP A 93 3.669 4.790 2.913 1.00 0.00 N ATOM 1501 CA ASP A 93 4.931 4.519 2.231 1.00 0.00 C ATOM 1502 C ASP A 93 4.696 4.504 0.728 1.00 0.00 C ATOM 1503 O ASP A 93 5.482 5.048 -0.051 1.00 0.00 O ATOM 1504 CB ASP A 93 5.520 3.183 2.693 1.00 0.00 C ATOM 1505 CG ASP A 93 6.864 2.881 2.054 1.00 0.00 C ATOM 1506 OD1 ASP A 93 6.942 1.943 1.238 1.00 0.00 O ATOM 1507 OD2 ASP A 93 7.847 3.589 2.361 1.00 0.00 O ATOM 0 H ASP A 93 3.312 4.012 3.468 1.00 0.00 H new ATOM 0 HA ASP A 93 5.646 5.304 2.478 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.633 3.196 3.777 1.00 0.00 H new ATOM 0 HB3 ASP A 93 4.821 2.381 2.455 1.00 0.00 H new ATOM 1512 N SER A 94 3.582 3.903 0.338 1.00 0.00 N ATOM 1513 CA SER A 94 3.165 3.865 -1.053 1.00 0.00 C ATOM 1514 C SER A 94 2.987 5.279 -1.604 1.00 0.00 C ATOM 1515 O SER A 94 3.484 5.602 -2.685 1.00 0.00 O ATOM 1516 CB SER A 94 1.857 3.089 -1.165 1.00 0.00 C ATOM 1517 OG SER A 94 1.962 1.830 -0.522 1.00 0.00 O ATOM 0 H SER A 94 2.943 3.429 0.977 1.00 0.00 H new ATOM 0 HA SER A 94 3.937 3.368 -1.641 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.048 3.665 -0.717 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.603 2.946 -2.215 1.00 0.00 H new ATOM 0 HG SER A 94 1.065 1.468 -0.363 1.00 0.00 H new ATOM 1523 N ILE A 95 2.288 6.122 -0.846 1.00 0.00 N ATOM 1524 CA ILE A 95 2.068 7.513 -1.238 1.00 0.00 C ATOM 1525 C ILE A 95 3.400 8.243 -1.383 1.00 0.00 C ATOM 1526 O ILE A 95 3.616 8.980 -2.348 1.00 0.00 O ATOM 1527 CB ILE A 95 1.187 8.263 -0.212 1.00 0.00 C ATOM 1528 CG1 ILE A 95 -0.174 7.577 -0.078 1.00 0.00 C ATOM 1529 CG2 ILE A 95 1.012 9.724 -0.620 1.00 0.00 C ATOM 1530 CD1 ILE A 95 -1.072 8.200 0.972 1.00 0.00 C ATOM 0 H ILE A 95 1.863 5.865 0.045 1.00 0.00 H new ATOM 0 HA ILE A 95 1.548 7.499 -2.196 1.00 0.00 H new ATOM 0 HB ILE A 95 1.686 8.236 0.757 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.682 7.607 -1.042 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.018 6.526 0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.389 10.235 0.114 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.988 10.208 -0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.534 9.774 -1.598 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.018 7.660 1.009 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.585 8.146 1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.259 9.243 0.718 1.00 0.00 H new ATOM 1542 N SER A 96 4.292 8.015 -0.427 1.00 0.00 N ATOM 1543 CA SER A 96 5.609 8.637 -0.436 1.00 0.00 C ATOM 1544 C SER A 96 6.378 8.265 -1.705 1.00 0.00 C ATOM 1545 O SER A 96 6.972 9.127 -2.358 1.00 0.00 O ATOM 1546 CB SER A 96 6.391 8.217 0.811 1.00 0.00 C ATOM 1547 OG SER A 96 5.687 8.562 1.995 1.00 0.00 O ATOM 0 H SER A 96 4.125 7.400 0.369 1.00 0.00 H new ATOM 0 HA SER A 96 5.484 9.720 -0.426 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.567 7.142 0.789 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.368 8.700 0.811 1.00 0.00 H new ATOM 0 HG SER A 96 4.904 7.981 2.091 1.00 0.00 H new ATOM 1553 N HIS A 97 6.340 6.986 -2.069 1.00 0.00 N ATOM 1554 CA HIS A 97 7.037 6.522 -3.264 1.00 0.00 C ATOM 1555 C HIS A 97 6.365 7.048 -4.524 1.00 0.00 C ATOM 1556 O HIS A 97 7.040 7.399 -5.485 1.00 0.00 O ATOM 1557 CB HIS A 97 7.105 4.993 -3.321 1.00 0.00 C ATOM 1558 CG HIS A 97 7.937 4.377 -2.239 1.00 0.00 C ATOM 1559 ND1 HIS A 97 9.243 4.741 -1.988 1.00 0.00 N ATOM 1560 CD2 HIS A 97 7.636 3.424 -1.332 1.00 0.00 C ATOM 1561 CE1 HIS A 97 9.704 4.035 -0.973 1.00 0.00 C ATOM 1562 NE2 HIS A 97 8.749 3.230 -0.555 1.00 0.00 N ATOM 0 H HIS A 97 5.839 6.259 -1.559 1.00 0.00 H new ATOM 0 HA HIS A 97 8.054 6.911 -3.210 1.00 0.00 H new ATOM 0 HB2 HIS A 97 6.093 4.593 -3.259 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.507 4.694 -4.289 1.00 0.00 H new ATOM 0 HD2 HIS A 97 6.692 2.909 -1.236 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.697 4.105 -0.555 1.00 0.00 H new ATOM 0 HE2 HIS A 97 8.825 2.571 0.219 1.00 0.00 H new ATOM 1571 N LEU A 98 5.037 7.104 -4.515 1.00 0.00 N ATOM 1572 CA LEU A 98 4.283 7.571 -5.674 1.00 0.00 C ATOM 1573 C LEU A 98 4.542 9.055 -5.934 1.00 0.00 C ATOM 1574 O LEU A 98 4.718 9.470 -7.079 1.00 0.00 O ATOM 1575 CB LEU A 98 2.783 7.320 -5.478 1.00 0.00 C ATOM 1576 CG LEU A 98 1.899 7.669 -6.678 1.00 0.00 C ATOM 1577 CD1 LEU A 98 2.275 6.824 -7.888 1.00 0.00 C ATOM 1578 CD2 LEU A 98 0.430 7.479 -6.329 1.00 0.00 C ATOM 0 H LEU A 98 4.461 6.832 -3.719 1.00 0.00 H new ATOM 0 HA LEU A 98 4.621 7.008 -6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.636 6.268 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.444 7.897 -4.618 1.00 0.00 H new ATOM 0 HG LEU A 98 2.062 8.717 -6.931 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.634 7.088 -8.729 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.316 7.010 -8.152 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.144 5.769 -7.650 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.185 7.731 -7.193 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.254 6.440 -6.049 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.167 8.129 -5.494 1.00 0.00 H new ATOM 1590 N ARG A 99 4.578 9.844 -4.863 1.00 0.00 N ATOM 1591 CA ARG A 99 4.831 11.277 -4.975 1.00 0.00 C ATOM 1592 C ARG A 99 6.198 11.518 -5.610 1.00 0.00 C ATOM 1593 O ARG A 99 6.343 12.354 -6.502 1.00 0.00 O ATOM 1594 CB ARG A 99 4.764 11.941 -3.596 1.00 0.00 C ATOM 1595 CG ARG A 99 4.600 13.455 -3.648 1.00 0.00 C ATOM 1596 CD ARG A 99 4.566 14.054 -2.251 1.00 0.00 C ATOM 1597 NE ARG A 99 4.060 15.432 -2.244 1.00 0.00 N ATOM 1598 CZ ARG A 99 4.128 16.248 -1.189 1.00 0.00 C ATOM 1599 NH1 ARG A 99 4.785 15.875 -0.097 1.00 0.00 N ATOM 1600 NH2 ARG A 99 3.563 17.450 -1.236 1.00 0.00 N ATOM 0 H ARG A 99 4.435 9.515 -3.908 1.00 0.00 H new ATOM 0 HA ARG A 99 4.063 11.719 -5.610 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.931 11.514 -3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 99 5.673 11.702 -3.044 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.422 13.893 -4.214 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.680 13.706 -4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.938 13.436 -1.609 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.570 14.037 -1.827 1.00 0.00 H new ATOM 0 HE ARG A 99 3.630 15.788 -3.098 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.240 14.963 -0.062 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.835 16.501 0.707 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.076 17.752 -2.080 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.617 18.071 -0.428 1.00 0.00 H new ATOM 1614 N ARG A 100 7.190 10.758 -5.160 1.00 0.00 N ATOM 1615 CA ARG A 100 8.535 10.844 -5.714 1.00 0.00 C ATOM 1616 C ARG A 100 8.555 10.339 -7.157 1.00 0.00 C ATOM 1617 O ARG A 100 9.219 10.911 -8.014 1.00 0.00 O ATOM 1618 CB ARG A 100 9.514 10.025 -4.867 1.00 0.00 C ATOM 1619 CG ARG A 100 10.945 10.048 -5.391 1.00 0.00 C ATOM 1620 CD ARG A 100 11.856 10.908 -4.531 1.00 0.00 C ATOM 1621 NE ARG A 100 11.413 12.300 -4.450 1.00 0.00 N ATOM 1622 CZ ARG A 100 11.629 13.083 -3.392 1.00 0.00 C ATOM 1623 NH1 ARG A 100 12.341 12.631 -2.362 1.00 0.00 N ATOM 1624 NH2 ARG A 100 11.164 14.326 -3.381 1.00 0.00 N ATOM 0 H ARG A 100 7.087 10.074 -4.411 1.00 0.00 H new ATOM 0 HA ARG A 100 8.842 11.890 -5.702 1.00 0.00 H new ATOM 0 HB2 ARG A 100 9.504 10.406 -3.846 1.00 0.00 H new ATOM 0 HB3 ARG A 100 9.168 8.992 -4.825 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.334 9.030 -5.425 1.00 0.00 H new ATOM 0 HG3 ARG A 100 10.950 10.426 -6.413 1.00 0.00 H new ATOM 0 HD2 ARG A 100 11.903 10.488 -3.526 1.00 0.00 H new ATOM 0 HD3 ARG A 100 12.867 10.877 -4.937 1.00 0.00 H new ATOM 0 HE ARG A 100 10.911 12.693 -5.246 1.00 0.00 H new ATOM 0 HH11 ARG A 100 12.722 11.685 -2.381 1.00 0.00 H new ATOM 0 HH12 ARG A 100 12.506 13.231 -1.553 1.00 0.00 H new ATOM 0 HH21 ARG A 100 10.642 14.682 -4.181 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.329 14.925 -2.572 1.00 0.00 H new ATOM 1638 N LEU A 101 7.812 9.271 -7.412 1.00 0.00 N ATOM 1639 CA LEU A 101 7.772 8.648 -8.730 1.00 0.00 C ATOM 1640 C LEU A 101 7.243 9.617 -9.785 1.00 0.00 C ATOM 1641 O LEU A 101 7.821 9.750 -10.863 1.00 0.00 O ATOM 1642 CB LEU A 101 6.909 7.384 -8.679 1.00 0.00 C ATOM 1643 CG LEU A 101 6.874 6.557 -9.963 1.00 0.00 C ATOM 1644 CD1 LEU A 101 8.278 6.132 -10.368 1.00 0.00 C ATOM 1645 CD2 LEU A 101 5.989 5.340 -9.773 1.00 0.00 C ATOM 0 H LEU A 101 7.223 8.813 -6.716 1.00 0.00 H new ATOM 0 HA LEU A 101 8.789 8.376 -9.014 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.272 6.750 -7.870 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.889 7.672 -8.426 1.00 0.00 H new ATOM 0 HG LEU A 101 6.461 7.174 -10.761 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.230 5.544 -11.285 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.892 7.017 -10.536 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.719 5.530 -9.574 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.970 4.757 -10.694 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.383 4.727 -8.963 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.977 5.661 -9.526 1.00 0.00 H new ATOM 1657 N VAL A 102 6.151 10.303 -9.471 1.00 0.00 N ATOM 1658 CA VAL A 102 5.600 11.300 -10.381 1.00 0.00 C ATOM 1659 C VAL A 102 6.573 12.469 -10.522 1.00 0.00 C ATOM 1660 O VAL A 102 6.739 13.027 -11.607 1.00 0.00 O ATOM 1661 CB VAL A 102 4.224 11.816 -9.907 1.00 0.00 C ATOM 1662 CG1 VAL A 102 3.660 12.839 -10.887 1.00 0.00 C ATOM 1663 CG2 VAL A 102 3.254 10.657 -9.736 1.00 0.00 C ATOM 0 H VAL A 102 5.633 10.189 -8.600 1.00 0.00 H new ATOM 0 HA VAL A 102 5.457 10.820 -11.349 1.00 0.00 H new ATOM 0 HB VAL A 102 4.358 12.306 -8.943 1.00 0.00 H new ATOM 0 HG11 VAL A 102 2.690 13.188 -10.531 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.344 13.684 -10.964 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.542 12.377 -11.867 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.289 11.037 -9.402 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.131 10.142 -10.689 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.646 9.960 -8.995 1.00 0.00 H new ATOM 1673 N GLU A 103 7.234 12.811 -9.421 1.00 0.00 N ATOM 1674 CA GLU A 103 8.245 13.861 -9.413 1.00 0.00 C ATOM 1675 C GLU A 103 9.385 13.526 -10.381 1.00 0.00 C ATOM 1676 O GLU A 103 9.881 14.394 -11.098 1.00 0.00 O ATOM 1677 CB GLU A 103 8.797 14.030 -7.997 1.00 0.00 C ATOM 1678 CG GLU A 103 9.831 15.132 -7.860 1.00 0.00 C ATOM 1679 CD GLU A 103 10.568 15.067 -6.541 1.00 0.00 C ATOM 1680 OE1 GLU A 103 10.100 15.668 -5.556 1.00 0.00 O ATOM 1681 OE2 GLU A 103 11.628 14.415 -6.483 1.00 0.00 O ATOM 0 H GLU A 103 7.085 12.370 -8.513 1.00 0.00 H new ATOM 0 HA GLU A 103 7.782 14.793 -9.738 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.969 14.237 -7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.242 13.088 -7.678 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.548 15.058 -8.678 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.340 16.101 -7.952 1.00 0.00 H new ATOM 1688 N LEU A 104 9.777 12.255 -10.406 1.00 0.00 N ATOM 1689 CA LEU A 104 10.869 11.795 -11.265 1.00 0.00 C ATOM 1690 C LEU A 104 10.440 11.741 -12.731 1.00 0.00 C ATOM 1691 O LEU A 104 11.260 11.520 -13.624 1.00 0.00 O ATOM 1692 CB LEU A 104 11.350 10.409 -10.821 1.00 0.00 C ATOM 1693 CG LEU A 104 11.836 10.311 -9.371 1.00 0.00 C ATOM 1694 CD1 LEU A 104 12.249 8.884 -9.045 1.00 0.00 C ATOM 1695 CD2 LEU A 104 12.990 11.273 -9.117 1.00 0.00 C ATOM 0 H LEU A 104 9.353 11.521 -9.839 1.00 0.00 H new ATOM 0 HA LEU A 104 11.685 12.511 -11.170 1.00 0.00 H new ATOM 0 HB2 LEU A 104 10.535 9.699 -10.961 1.00 0.00 H new ATOM 0 HB3 LEU A 104 12.161 10.097 -11.479 1.00 0.00 H new ATOM 0 HG LEU A 104 11.011 10.592 -8.716 1.00 0.00 H new ATOM 0 HD11 LEU A 104 12.592 8.831 -8.012 1.00 0.00 H new ATOM 0 HD12 LEU A 104 11.396 8.219 -9.179 1.00 0.00 H new ATOM 0 HD13 LEU A 104 13.056 8.578 -9.711 1.00 0.00 H new ATOM 0 HD21 LEU A 104 13.317 11.184 -8.081 1.00 0.00 H new ATOM 0 HD22 LEU A 104 13.819 11.030 -9.781 1.00 0.00 H new ATOM 0 HD23 LEU A 104 12.661 12.295 -9.307 1.00 0.00 H new ATOM 1707 N ASN A 105 9.152 11.927 -12.974 1.00 0.00 N ATOM 1708 CA ASN A 105 8.620 11.915 -14.331 1.00 0.00 C ATOM 1709 C ASN A 105 8.253 13.319 -14.787 1.00 0.00 C ATOM 1710 O ASN A 105 8.318 13.623 -15.978 1.00 0.00 O ATOM 1711 CB ASN A 105 7.397 10.998 -14.430 1.00 0.00 C ATOM 1712 CG ASN A 105 7.775 9.533 -14.563 1.00 0.00 C ATOM 1713 OD1 ASN A 105 7.909 9.013 -15.670 1.00 0.00 O ATOM 1714 ND2 ASN A 105 7.948 8.854 -13.441 1.00 0.00 N ATOM 0 H ASN A 105 8.453 12.089 -12.249 1.00 0.00 H new ATOM 0 HA ASN A 105 9.401 11.530 -14.987 1.00 0.00 H new ATOM 0 HB2 ASN A 105 6.776 11.130 -13.544 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.794 11.293 -15.289 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.201 7.866 -13.476 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.829 9.318 -12.541 1.00 0.00 H new ATOM 1721 N LEU A 106 7.861 14.163 -13.830 1.00 0.00 N ATOM 1722 CA LEU A 106 7.451 15.545 -14.102 1.00 0.00 C ATOM 1723 C LEU A 106 6.213 15.586 -14.990 1.00 0.00 C ATOM 1724 O LEU A 106 5.903 16.612 -15.595 1.00 0.00 O ATOM 1725 CB LEU A 106 8.586 16.340 -14.754 1.00 0.00 C ATOM 1726 CG LEU A 106 9.800 16.605 -13.861 1.00 0.00 C ATOM 1727 CD1 LEU A 106 10.878 17.351 -14.633 1.00 0.00 C ATOM 1728 CD2 LEU A 106 9.393 17.390 -12.620 1.00 0.00 C ATOM 0 H LEU A 106 7.818 13.908 -12.843 1.00 0.00 H new ATOM 0 HA LEU A 106 7.209 16.006 -13.144 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.920 15.803 -15.642 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.189 17.297 -15.092 1.00 0.00 H new ATOM 0 HG LEU A 106 10.206 15.645 -13.542 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.733 17.531 -13.982 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.192 16.753 -15.489 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.482 18.304 -14.982 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.270 17.568 -11.998 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.960 18.345 -12.919 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.657 16.819 -12.054 1.00 0.00 H new ATOM 1740 N GLY A 107 5.487 14.476 -15.035 1.00 0.00 N ATOM 1741 CA GLY A 107 4.328 14.374 -15.898 1.00 0.00 C ATOM 1742 C GLY A 107 3.065 14.874 -15.235 1.00 0.00 C ATOM 1743 O GLY A 107 2.068 14.157 -15.184 1.00 0.00 O ATOM 0 H GLY A 107 5.683 13.640 -14.485 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.506 14.945 -16.809 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.191 13.334 -16.195 1.00 0.00 H new ATOM 1747 N ASP A 108 3.126 16.107 -14.734 1.00 0.00 N ATOM 1748 CA ASP A 108 1.998 16.763 -14.066 1.00 0.00 C ATOM 1749 C ASP A 108 1.580 16.048 -12.789 1.00 0.00 C ATOM 1750 O ASP A 108 1.027 14.948 -12.814 1.00 0.00 O ATOM 1751 CB ASP A 108 0.785 16.904 -14.991 1.00 0.00 C ATOM 1752 CG ASP A 108 0.927 18.044 -15.976 1.00 0.00 C ATOM 1753 OD1 ASP A 108 0.763 19.214 -15.568 1.00 0.00 O ATOM 1754 OD2 ASP A 108 1.177 17.776 -17.165 1.00 0.00 O ATOM 0 H ASP A 108 3.965 16.685 -14.780 1.00 0.00 H new ATOM 0 HA ASP A 108 2.356 17.758 -13.800 1.00 0.00 H new ATOM 0 HB2 ASP A 108 0.642 15.973 -15.539 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -0.110 17.060 -14.388 1.00 0.00 H new ATOM 1759 N GLU A 109 1.821 16.701 -11.666 1.00 0.00 N ATOM 1760 CA GLU A 109 1.347 16.213 -10.383 1.00 0.00 C ATOM 1761 C GLU A 109 -0.156 16.449 -10.296 1.00 0.00 C ATOM 1762 O GLU A 109 -0.856 15.848 -9.484 1.00 0.00 O ATOM 1763 CB GLU A 109 2.069 16.913 -9.220 1.00 0.00 C ATOM 1764 CG GLU A 109 1.869 18.427 -9.161 1.00 0.00 C ATOM 1765 CD GLU A 109 2.650 19.173 -10.225 1.00 0.00 C ATOM 1766 OE1 GLU A 109 3.774 19.624 -9.931 1.00 0.00 O ATOM 1767 OE2 GLU A 109 2.150 19.297 -11.363 1.00 0.00 O ATOM 0 H GLU A 109 2.345 17.575 -11.617 1.00 0.00 H new ATOM 0 HA GLU A 109 1.561 15.147 -10.304 1.00 0.00 H new ATOM 0 HB2 GLU A 109 1.724 16.478 -8.282 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.136 16.704 -9.295 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.808 18.652 -9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 109 2.169 18.789 -8.178 1.00 0.00 H new ATOM 1774 N GLU A 110 -0.631 17.328 -11.169 1.00 0.00 N ATOM 1775 CA GLU A 110 -2.044 17.656 -11.271 1.00 0.00 C ATOM 1776 C GLU A 110 -2.871 16.434 -11.674 1.00 0.00 C ATOM 1777 O GLU A 110 -4.045 16.317 -11.312 1.00 0.00 O ATOM 1778 CB GLU A 110 -2.215 18.788 -12.286 1.00 0.00 C ATOM 1779 CG GLU A 110 -3.656 19.177 -12.554 1.00 0.00 C ATOM 1780 CD GLU A 110 -3.758 20.446 -13.365 1.00 0.00 C ATOM 1781 OE1 GLU A 110 -3.980 21.516 -12.763 1.00 0.00 O ATOM 1782 OE2 GLU A 110 -3.600 20.389 -14.603 1.00 0.00 O ATOM 0 H GLU A 110 -0.042 17.835 -11.829 1.00 0.00 H new ATOM 0 HA GLU A 110 -2.407 17.980 -10.296 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -1.675 19.665 -11.928 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -1.751 18.490 -13.226 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.158 18.367 -13.084 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.178 19.310 -11.606 1.00 0.00 H new ATOM 1789 N LEU A 111 -2.250 15.507 -12.401 1.00 0.00 N ATOM 1790 CA LEU A 111 -2.936 14.292 -12.833 1.00 0.00 C ATOM 1791 C LEU A 111 -3.306 13.430 -11.629 1.00 0.00 C ATOM 1792 O LEU A 111 -4.217 12.599 -11.696 1.00 0.00 O ATOM 1793 CB LEU A 111 -2.068 13.483 -13.802 1.00 0.00 C ATOM 1794 CG LEU A 111 -1.614 14.227 -15.062 1.00 0.00 C ATOM 1795 CD1 LEU A 111 -0.924 13.273 -16.026 1.00 0.00 C ATOM 1796 CD2 LEU A 111 -2.790 14.914 -15.740 1.00 0.00 C ATOM 0 H LEU A 111 -1.278 15.574 -12.702 1.00 0.00 H new ATOM 0 HA LEU A 111 -3.847 14.591 -13.352 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.183 13.137 -13.267 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.624 12.596 -14.106 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.899 14.994 -14.764 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.608 13.819 -16.915 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.052 12.834 -15.541 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.617 12.482 -16.313 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -2.442 15.435 -16.632 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.533 14.169 -16.022 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.238 15.631 -15.052 1.00 0.00 H new ATOM 1808 N LEU A 112 -2.617 13.658 -10.516 1.00 0.00 N ATOM 1809 CA LEU A 112 -2.867 12.918 -9.290 1.00 0.00 C ATOM 1810 C LEU A 112 -4.148 13.394 -8.614 1.00 0.00 C ATOM 1811 O LEU A 112 -4.623 12.778 -7.662 1.00 0.00 O ATOM 1812 CB LEU A 112 -1.689 13.061 -8.320 1.00 0.00 C ATOM 1813 CG LEU A 112 -0.374 12.433 -8.786 1.00 0.00 C ATOM 1814 CD1 LEU A 112 0.739 12.732 -7.791 1.00 0.00 C ATOM 1815 CD2 LEU A 112 -0.538 10.930 -8.966 1.00 0.00 C ATOM 0 H LEU A 112 -1.876 14.355 -10.441 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.982 11.868 -9.557 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -1.520 14.122 -8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -1.969 12.612 -7.367 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.103 12.869 -9.748 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.668 12.278 -8.137 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.871 13.811 -7.706 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.476 12.321 -6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.406 10.498 -9.298 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.830 10.480 -8.017 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.308 10.735 -9.712 1.00 0.00 H new ATOM 1827 N GLU A 113 -4.723 14.472 -9.121 1.00 0.00 N ATOM 1828 CA GLU A 113 -5.914 15.046 -8.515 1.00 0.00 C ATOM 1829 C GLU A 113 -7.065 15.116 -9.508 1.00 0.00 C ATOM 1830 O GLU A 113 -7.917 16.002 -9.422 1.00 0.00 O ATOM 1831 CB GLU A 113 -5.606 16.433 -7.946 1.00 0.00 C ATOM 1832 CG GLU A 113 -4.565 16.410 -6.840 1.00 0.00 C ATOM 1833 CD GLU A 113 -4.468 17.725 -6.101 1.00 0.00 C ATOM 1834 OE1 GLU A 113 -5.169 17.885 -5.078 1.00 0.00 O ATOM 1835 OE2 GLU A 113 -3.688 18.600 -6.527 1.00 0.00 O ATOM 0 H GLU A 113 -4.386 14.966 -9.947 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.223 14.393 -7.699 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.257 17.079 -8.751 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.526 16.873 -7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -4.810 15.618 -6.133 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -3.592 16.166 -7.267 1.00 0.00 H new ATOM 1842 N ARG A 114 -7.101 14.170 -10.443 1.00 0.00 N ATOM 1843 CA ARG A 114 -8.228 14.058 -11.360 1.00 0.00 C ATOM 1844 C ARG A 114 -9.340 13.229 -10.713 1.00 0.00 C ATOM 1845 O ARG A 114 -9.394 13.101 -9.492 1.00 0.00 O ATOM 1846 CB ARG A 114 -7.790 13.415 -12.681 1.00 0.00 C ATOM 1847 CG ARG A 114 -6.674 14.164 -13.389 1.00 0.00 C ATOM 1848 CD ARG A 114 -6.388 13.573 -14.762 1.00 0.00 C ATOM 1849 NE ARG A 114 -6.081 12.142 -14.693 1.00 0.00 N ATOM 1850 CZ ARG A 114 -5.228 11.520 -15.507 1.00 0.00 C ATOM 1851 NH1 ARG A 114 -4.595 12.200 -16.459 1.00 0.00 N ATOM 1852 NH2 ARG A 114 -5.009 10.221 -15.371 1.00 0.00 N ATOM 0 H ARG A 114 -6.368 13.475 -10.584 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.604 15.058 -11.575 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -7.462 12.394 -12.486 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -8.651 13.352 -13.346 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -6.948 15.214 -13.494 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -5.769 14.130 -12.782 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -7.251 13.727 -15.410 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -5.550 14.102 -15.216 1.00 0.00 H new ATOM 0 HE ARG A 114 -6.549 11.587 -13.977 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.762 13.200 -16.568 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -3.943 11.721 -17.080 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -5.493 9.696 -14.643 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -4.356 9.746 -15.994 1.00 0.00 H new ATOM 1866 N GLU A 115 -10.224 12.679 -11.524 1.00 0.00 N ATOM 1867 CA GLU A 115 -11.255 11.768 -11.038 1.00 0.00 C ATOM 1868 C GLU A 115 -11.004 10.403 -11.674 1.00 0.00 C ATOM 1869 O GLU A 115 -10.353 10.334 -12.714 1.00 0.00 O ATOM 1870 CB GLU A 115 -12.646 12.318 -11.407 1.00 0.00 C ATOM 1871 CG GLU A 115 -13.794 11.841 -10.521 1.00 0.00 C ATOM 1872 CD GLU A 115 -14.198 10.405 -10.778 1.00 0.00 C ATOM 1873 OE1 GLU A 115 -14.213 9.603 -9.824 1.00 0.00 O ATOM 1874 OE2 GLU A 115 -14.489 10.067 -11.939 1.00 0.00 O ATOM 0 H GLU A 115 -10.252 12.846 -12.530 1.00 0.00 H new ATOM 0 HA GLU A 115 -11.220 11.672 -9.953 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.609 13.407 -11.370 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -12.866 12.041 -12.438 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -13.504 11.947 -9.476 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -14.657 12.487 -10.679 1.00 0.00 H new ATOM 1881 N LEU A 116 -11.491 9.329 -11.057 1.00 0.00 N ATOM 1882 CA LEU A 116 -11.241 7.972 -11.553 1.00 0.00 C ATOM 1883 C LEU A 116 -11.669 7.813 -13.016 1.00 0.00 C ATOM 1884 O LEU A 116 -10.969 7.179 -13.801 1.00 0.00 O ATOM 1885 CB LEU A 116 -11.955 6.935 -10.677 1.00 0.00 C ATOM 1886 CG LEU A 116 -11.831 5.482 -11.146 1.00 0.00 C ATOM 1887 CD1 LEU A 116 -10.379 5.033 -11.121 1.00 0.00 C ATOM 1888 CD2 LEU A 116 -12.682 4.568 -10.279 1.00 0.00 C ATOM 0 H LEU A 116 -12.061 9.369 -10.212 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.166 7.801 -11.500 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.560 7.007 -9.664 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -13.013 7.194 -10.626 1.00 0.00 H new ATOM 0 HG LEU A 116 -12.193 5.422 -12.173 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -10.312 3.998 -11.458 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -9.790 5.668 -11.783 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -9.992 5.110 -10.105 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -12.582 3.540 -10.627 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.349 4.635 -9.243 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.726 4.873 -10.345 1.00 0.00 H new ATOM 1900 N ALA A 117 -12.801 8.403 -13.386 1.00 0.00 N ATOM 1901 CA ALA A 117 -13.291 8.314 -14.762 1.00 0.00 C ATOM 1902 C ALA A 117 -12.407 9.104 -15.731 1.00 0.00 C ATOM 1903 O ALA A 117 -12.478 8.913 -16.946 1.00 0.00 O ATOM 1904 CB ALA A 117 -14.731 8.794 -14.848 1.00 0.00 C ATOM 0 H ALA A 117 -13.395 8.945 -12.759 1.00 0.00 H new ATOM 0 HA ALA A 117 -13.250 7.265 -15.057 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -15.078 8.721 -15.879 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -15.360 8.175 -14.208 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -14.789 9.831 -14.519 1.00 0.00 H new ATOM 1910 N LEU A 118 -11.576 9.992 -15.194 1.00 0.00 N ATOM 1911 CA LEU A 118 -10.634 10.754 -16.008 1.00 0.00 C ATOM 1912 C LEU A 118 -9.334 9.974 -16.183 1.00 0.00 C ATOM 1913 O LEU A 118 -8.505 10.297 -17.035 1.00 0.00 O ATOM 1914 CB LEU A 118 -10.341 12.115 -15.373 1.00 0.00 C ATOM 1915 CG LEU A 118 -11.539 13.058 -15.269 1.00 0.00 C ATOM 1916 CD1 LEU A 118 -11.127 14.368 -14.621 1.00 0.00 C ATOM 1917 CD2 LEU A 118 -12.136 13.313 -16.645 1.00 0.00 C ATOM 0 H LEU A 118 -11.536 10.202 -14.197 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.087 10.918 -16.986 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -9.940 11.952 -14.373 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -9.561 12.608 -15.953 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.297 12.585 -14.645 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -11.991 15.029 -14.554 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -10.741 14.173 -13.620 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -10.352 14.844 -15.223 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -12.988 13.986 -16.553 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -11.383 13.766 -17.290 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -12.465 12.369 -17.080 1.00 0.00 H new ATOM 1929 N LEU A 119 -9.160 8.953 -15.359 1.00 0.00 N ATOM 1930 CA LEU A 119 -8.015 8.065 -15.466 1.00 0.00 C ATOM 1931 C LEU A 119 -8.316 6.989 -16.496 1.00 0.00 C ATOM 1932 O LEU A 119 -8.708 5.881 -16.151 1.00 0.00 O ATOM 1933 CB LEU A 119 -7.687 7.427 -14.109 1.00 0.00 C ATOM 1934 CG LEU A 119 -6.837 8.277 -13.152 1.00 0.00 C ATOM 1935 CD1 LEU A 119 -7.460 9.639 -12.899 1.00 0.00 C ATOM 1936 CD2 LEU A 119 -6.636 7.547 -11.837 1.00 0.00 C ATOM 0 H LEU A 119 -9.803 8.718 -14.603 1.00 0.00 H new ATOM 0 HA LEU A 119 -7.146 8.642 -15.781 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.624 7.181 -13.610 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -7.165 6.487 -14.289 1.00 0.00 H new ATOM 0 HG LEU A 119 -5.870 8.437 -13.629 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.827 10.208 -12.217 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.553 10.177 -13.842 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -8.447 9.511 -12.456 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.032 8.161 -11.169 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.605 7.354 -11.376 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.127 6.601 -12.020 1.00 0.00 H new ATOM 1948 N VAL A 120 -8.174 7.348 -17.762 1.00 0.00 N ATOM 1949 CA VAL A 120 -8.553 6.463 -18.854 1.00 0.00 C ATOM 1950 C VAL A 120 -7.351 5.685 -19.384 1.00 0.00 C ATOM 1951 O VAL A 120 -6.219 6.167 -19.339 1.00 0.00 O ATOM 1952 CB VAL A 120 -9.198 7.259 -20.012 1.00 0.00 C ATOM 1953 CG1 VAL A 120 -9.821 6.324 -21.037 1.00 0.00 C ATOM 1954 CG2 VAL A 120 -10.232 8.242 -19.482 1.00 0.00 C ATOM 0 H VAL A 120 -7.798 8.248 -18.060 1.00 0.00 H new ATOM 0 HA VAL A 120 -9.280 5.756 -18.455 1.00 0.00 H new ATOM 0 HB VAL A 120 -8.410 7.826 -20.508 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -10.267 6.910 -21.840 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -9.052 5.671 -21.449 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -10.591 5.720 -20.558 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -10.673 8.791 -20.314 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -11.014 7.698 -18.952 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -9.751 8.943 -18.799 1.00 0.00 H new ATOM 1964 N SER A 121 -7.615 4.484 -19.882 1.00 0.00 N ATOM 1965 CA SER A 121 -6.591 3.627 -20.468 1.00 0.00 C ATOM 1966 C SER A 121 -6.260 4.059 -21.892 1.00 0.00 C ATOM 1967 O SER A 121 -6.909 4.948 -22.443 1.00 0.00 O ATOM 1968 CB SER A 121 -7.049 2.169 -20.457 1.00 0.00 C ATOM 1969 OG SER A 121 -7.187 1.688 -19.132 1.00 0.00 O ATOM 0 H SER A 121 -8.549 4.075 -19.891 1.00 0.00 H new ATOM 0 HA SER A 121 -5.689 3.722 -19.864 1.00 0.00 H new ATOM 0 HB2 SER A 121 -8.001 2.080 -20.981 1.00 0.00 H new ATOM 0 HB3 SER A 121 -6.329 1.554 -20.997 1.00 0.00 H new ATOM 0 HG SER A 121 -6.855 0.767 -19.082 1.00 0.00 H new ATOM 1975 N ALA A 122 -5.217 3.438 -22.453 1.00 0.00 N ATOM 1976 CA ALA A 122 -4.771 3.696 -23.823 1.00 0.00 C ATOM 1977 C ALA A 122 -5.942 3.873 -24.788 1.00 0.00 C ATOM 1978 O ALA A 122 -5.969 4.824 -25.565 1.00 0.00 O ATOM 1979 CB ALA A 122 -3.865 2.569 -24.294 1.00 0.00 C ATOM 0 H ALA A 122 -4.657 2.739 -21.965 1.00 0.00 H new ATOM 0 HA ALA A 122 -4.215 4.633 -23.817 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.537 2.768 -25.314 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.996 2.503 -23.640 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -4.412 1.627 -24.266 1.00 0.00 H new