USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 318 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 59 CYS SG : rot 152:sc= 0.49 USER MOD Set 1.2: A 62 CYS SG : rot -46:sc= -1.1 USER MOD Set 1.3: A 80 CYS SG : rot 105:sc= -0.61 USER MOD Set 1.4: A 82 HIS :FLIP no HD1:sc= 0.194 F(o=-2.3,f=-0.88) USER MOD Set 1.5: A 83 CYS SG : rot 82:sc= 0.146 USER MOD Single : A 38 THR OG1 : rot 26:sc= 0.0388 USER MOD Single : A 55 SER OG : rot 171:sc= 0.968 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.038 F(o=-0.7,f=-0.038) USER MOD Single : A 84 GLN : amide:sc= -0.995 K(o=-0.99,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 38 10.935 -20.128 -18.771 1.00 0.00 N ATOM 235 CA THR A 38 11.888 -21.245 -18.890 1.00 0.00 C ATOM 236 C THR A 38 11.187 -22.596 -18.597 1.00 0.00 C ATOM 237 O THR A 38 11.434 -23.603 -19.269 1.00 0.00 O ATOM 238 CB THR A 38 13.096 -21.048 -17.916 1.00 0.00 C ATOM 239 OG1 THR A 38 13.795 -19.839 -18.249 1.00 0.00 O ATOM 240 CG2 THR A 38 14.080 -22.225 -17.962 1.00 0.00 C ATOM 0 HA THR A 38 12.263 -21.259 -19.913 1.00 0.00 H new ATOM 0 HB THR A 38 12.690 -20.990 -16.906 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.181 -19.218 -18.693 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.901 -22.041 -17.269 1.00 0.00 H new ATOM 0 HG22 THR A 38 13.564 -23.142 -17.678 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.475 -22.329 -18.972 1.00 0.00 H new ATOM 248 N ILE A 39 10.274 -22.567 -17.609 1.00 0.00 N ATOM 249 CA ILE A 39 9.568 -23.761 -17.116 1.00 0.00 C ATOM 250 C ILE A 39 8.557 -24.263 -18.161 1.00 0.00 C ATOM 251 O ILE A 39 8.471 -25.469 -18.406 1.00 0.00 O ATOM 252 CB ILE A 39 8.842 -23.475 -15.741 1.00 0.00 C ATOM 253 CG1 ILE A 39 9.837 -22.837 -14.720 1.00 0.00 C ATOM 254 CG2 ILE A 39 8.169 -24.750 -15.157 1.00 0.00 C ATOM 255 CD1 ILE A 39 11.105 -23.626 -14.465 1.00 0.00 C ATOM 0 H ILE A 39 10.005 -21.709 -17.128 1.00 0.00 H new ATOM 0 HA ILE A 39 10.312 -24.539 -16.947 1.00 0.00 H new ATOM 0 HB ILE A 39 8.041 -22.761 -15.933 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.113 -21.846 -15.079 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.318 -22.700 -13.771 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.683 -24.505 -14.213 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.426 -25.124 -15.861 1.00 0.00 H new ATOM 0 HG23 ILE A 39 8.926 -25.516 -14.987 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.725 -23.095 -13.742 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.849 -24.609 -14.071 1.00 0.00 H new ATOM 0 HD13 ILE A 39 11.655 -23.742 -15.399 1.00 0.00 H new ATOM 267 N GLU A 40 7.841 -23.328 -18.813 1.00 0.00 N ATOM 268 CA GLU A 40 6.803 -23.688 -19.811 1.00 0.00 C ATOM 269 C GLU A 40 7.467 -24.270 -21.074 1.00 0.00 C ATOM 270 O GLU A 40 6.931 -25.179 -21.714 1.00 0.00 O ATOM 271 CB GLU A 40 5.904 -22.464 -20.166 1.00 0.00 C ATOM 272 CG GLU A 40 6.534 -21.431 -21.128 1.00 0.00 C ATOM 273 CD GLU A 40 5.556 -20.339 -21.580 1.00 0.00 C ATOM 274 OE1 GLU A 40 4.794 -20.570 -22.544 1.00 0.00 O ATOM 275 OE2 GLU A 40 5.538 -19.249 -20.974 1.00 0.00 O ATOM 0 H GLU A 40 7.957 -22.324 -18.672 1.00 0.00 H new ATOM 0 HA GLU A 40 6.156 -24.448 -19.373 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.979 -22.832 -20.611 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.632 -21.955 -19.241 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.387 -20.963 -20.637 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.917 -21.951 -22.006 1.00 0.00 H new ATOM 282 N ASP A 41 8.658 -23.730 -21.392 1.00 0.00 N ATOM 283 CA ASP A 41 9.488 -24.169 -22.526 1.00 0.00 C ATOM 284 C ASP A 41 10.089 -25.552 -22.242 1.00 0.00 C ATOM 285 O ASP A 41 10.237 -26.383 -23.149 1.00 0.00 O ATOM 286 CB ASP A 41 10.598 -23.124 -22.792 1.00 0.00 C ATOM 287 CG ASP A 41 11.579 -23.532 -23.904 1.00 0.00 C ATOM 288 OD1 ASP A 41 11.191 -23.533 -25.092 1.00 0.00 O ATOM 289 OD2 ASP A 41 12.751 -23.852 -23.593 1.00 0.00 O ATOM 0 H ASP A 41 9.075 -22.966 -20.860 1.00 0.00 H new ATOM 0 HA ASP A 41 8.867 -24.251 -23.418 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.134 -22.175 -23.060 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.156 -22.958 -21.871 1.00 0.00 H new ATOM 294 N ALA A 42 10.416 -25.790 -20.960 1.00 0.00 N ATOM 295 CA ALA A 42 10.916 -27.084 -20.492 1.00 0.00 C ATOM 296 C ALA A 42 9.837 -28.172 -20.663 1.00 0.00 C ATOM 297 O ALA A 42 10.133 -29.283 -21.104 1.00 0.00 O ATOM 298 CB ALA A 42 11.378 -26.988 -19.031 1.00 0.00 C ATOM 0 H ALA A 42 10.339 -25.088 -20.224 1.00 0.00 H new ATOM 0 HA ALA A 42 11.777 -27.364 -21.098 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.746 -27.960 -18.701 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.177 -26.251 -18.950 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.540 -26.686 -18.403 1.00 0.00 H new ATOM 304 N ILE A 43 8.574 -27.816 -20.353 1.00 0.00 N ATOM 305 CA ILE A 43 7.416 -28.730 -20.491 1.00 0.00 C ATOM 306 C ILE A 43 7.002 -28.880 -21.983 1.00 0.00 C ATOM 307 O ILE A 43 6.455 -29.922 -22.393 1.00 0.00 O ATOM 308 CB ILE A 43 6.201 -28.248 -19.604 1.00 0.00 C ATOM 309 CG1 ILE A 43 6.642 -28.023 -18.116 1.00 0.00 C ATOM 310 CG2 ILE A 43 5.008 -29.229 -19.672 1.00 0.00 C ATOM 311 CD1 ILE A 43 7.260 -29.229 -17.419 1.00 0.00 C ATOM 0 H ILE A 43 8.326 -26.891 -20.001 1.00 0.00 H new ATOM 0 HA ILE A 43 7.718 -29.713 -20.129 1.00 0.00 H new ATOM 0 HB ILE A 43 5.867 -27.295 -20.015 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.361 -27.204 -18.090 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.772 -27.702 -17.543 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.196 -28.858 -19.047 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.664 -29.313 -20.703 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.322 -30.209 -19.314 1.00 0.00 H new ATOM 0 HD11 ILE A 43 7.527 -28.961 -16.397 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.541 -30.048 -17.403 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.154 -29.542 -17.958 1.00 0.00 H new ATOM 323 N ALA A 44 7.306 -27.844 -22.788 1.00 0.00 N ATOM 324 CA ALA A 44 7.053 -27.840 -24.244 1.00 0.00 C ATOM 325 C ALA A 44 7.894 -28.919 -24.955 1.00 0.00 C ATOM 326 O ALA A 44 7.395 -29.628 -25.834 1.00 0.00 O ATOM 327 CB ALA A 44 7.354 -26.452 -24.837 1.00 0.00 C ATOM 0 H ALA A 44 7.735 -26.984 -22.447 1.00 0.00 H new ATOM 0 HA ALA A 44 6.000 -28.070 -24.404 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.163 -26.466 -25.910 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.714 -25.708 -24.364 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.399 -26.199 -24.658 1.00 0.00 H new ATOM 333 N ARG A 45 9.184 -29.035 -24.566 1.00 0.00 N ATOM 334 CA ARG A 45 10.081 -30.080 -25.110 1.00 0.00 C ATOM 335 C ARG A 45 9.988 -31.402 -24.319 1.00 0.00 C ATOM 336 O ARG A 45 10.490 -32.434 -24.778 1.00 0.00 O ATOM 337 CB ARG A 45 11.545 -29.542 -25.218 1.00 0.00 C ATOM 338 CG ARG A 45 12.206 -28.968 -23.929 1.00 0.00 C ATOM 339 CD ARG A 45 12.738 -30.026 -22.939 1.00 0.00 C ATOM 340 NE ARG A 45 13.460 -29.397 -21.813 1.00 0.00 N ATOM 341 CZ ARG A 45 13.565 -29.894 -20.570 1.00 0.00 C ATOM 342 NH1 ARG A 45 12.971 -31.034 -20.221 1.00 0.00 N ATOM 343 NH2 ARG A 45 14.260 -29.221 -19.667 1.00 0.00 N ATOM 0 H ARG A 45 9.625 -28.421 -23.881 1.00 0.00 H new ATOM 0 HA ARG A 45 9.745 -30.320 -26.119 1.00 0.00 H new ATOM 0 HB2 ARG A 45 12.174 -30.354 -25.584 1.00 0.00 H new ATOM 0 HB3 ARG A 45 11.559 -28.761 -25.978 1.00 0.00 H new ATOM 0 HG2 ARG A 45 13.031 -28.319 -24.221 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.477 -28.344 -23.412 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.907 -30.618 -22.555 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.404 -30.713 -23.461 1.00 0.00 H new ATOM 0 HE ARG A 45 13.920 -28.505 -21.997 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.420 -31.552 -20.905 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.067 -31.389 -19.270 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.706 -28.339 -19.920 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.350 -29.584 -18.718 1.00 0.00 H new ATOM 357 N ALA A 46 9.346 -31.365 -23.135 1.00 0.00 N ATOM 358 CA ALA A 46 9.199 -32.555 -22.272 1.00 0.00 C ATOM 359 C ALA A 46 8.104 -33.486 -22.806 1.00 0.00 C ATOM 360 O ALA A 46 8.392 -34.592 -23.263 1.00 0.00 O ATOM 361 CB ALA A 46 8.910 -32.151 -20.822 1.00 0.00 C ATOM 0 H ALA A 46 8.919 -30.521 -22.753 1.00 0.00 H new ATOM 0 HA ALA A 46 10.144 -33.098 -22.288 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.806 -33.046 -20.209 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.732 -31.544 -20.443 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.986 -31.575 -20.782 1.00 0.00 H new ATOM 367 N ARG A 47 6.848 -33.008 -22.777 1.00 0.00 N ATOM 368 CA ARG A 47 5.666 -33.817 -23.163 1.00 0.00 C ATOM 369 C ARG A 47 4.936 -33.217 -24.379 1.00 0.00 C ATOM 370 O ARG A 47 4.007 -33.832 -24.910 1.00 0.00 O ATOM 371 CB ARG A 47 4.699 -33.951 -21.951 1.00 0.00 C ATOM 372 CG ARG A 47 4.097 -32.616 -21.453 1.00 0.00 C ATOM 373 CD ARG A 47 3.148 -32.793 -20.246 1.00 0.00 C ATOM 374 NE ARG A 47 2.050 -33.737 -20.551 1.00 0.00 N ATOM 375 CZ ARG A 47 0.766 -33.403 -20.789 1.00 0.00 C ATOM 376 NH1 ARG A 47 0.357 -32.140 -20.730 1.00 0.00 N ATOM 377 NH2 ARG A 47 -0.108 -34.355 -21.085 1.00 0.00 N ATOM 0 H ARG A 47 6.618 -32.057 -22.488 1.00 0.00 H new ATOM 0 HA ARG A 47 6.015 -34.808 -23.454 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.884 -34.621 -22.226 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.235 -34.422 -21.127 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.906 -31.940 -21.176 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.552 -32.143 -22.270 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.713 -33.156 -19.388 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.730 -31.826 -19.966 1.00 0.00 H new ATOM 0 HE ARG A 47 2.286 -34.729 -20.584 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.020 -31.399 -20.501 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.620 -31.911 -20.914 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.194 -35.328 -21.131 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.082 -34.114 -21.267 1.00 0.00 H new ATOM 391 N GLY A 48 5.372 -32.018 -24.813 1.00 0.00 N ATOM 392 CA GLY A 48 4.723 -31.308 -25.917 1.00 0.00 C ATOM 393 C GLY A 48 3.401 -30.670 -25.507 1.00 0.00 C ATOM 394 O GLY A 48 2.452 -30.638 -26.293 1.00 0.00 O ATOM 0 H GLY A 48 6.171 -31.527 -24.412 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.394 -30.535 -26.292 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.547 -32.003 -26.738 1.00 0.00 H new ATOM 398 N GLU A 49 3.348 -30.171 -24.262 1.00 0.00 N ATOM 399 CA GLU A 49 2.146 -29.526 -23.700 1.00 0.00 C ATOM 400 C GLU A 49 1.951 -28.132 -24.320 1.00 0.00 C ATOM 401 O GLU A 49 0.916 -27.849 -24.938 1.00 0.00 O ATOM 402 CB GLU A 49 2.283 -29.414 -22.164 1.00 0.00 C ATOM 403 CG GLU A 49 1.089 -28.757 -21.438 1.00 0.00 C ATOM 404 CD GLU A 49 1.287 -28.700 -19.915 1.00 0.00 C ATOM 405 OE1 GLU A 49 1.012 -29.712 -19.231 1.00 0.00 O ATOM 406 OE2 GLU A 49 1.736 -27.651 -19.394 1.00 0.00 O ATOM 0 H GLU A 49 4.136 -30.202 -23.615 1.00 0.00 H new ATOM 0 HA GLU A 49 1.273 -30.135 -23.935 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.429 -30.414 -21.756 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.183 -28.843 -21.937 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.946 -27.747 -21.821 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.180 -29.314 -21.663 1.00 0.00 H new ATOM 413 N ILE A 50 2.965 -27.268 -24.130 1.00 0.00 N ATOM 414 CA ILE A 50 2.974 -25.912 -24.675 1.00 0.00 C ATOM 415 C ILE A 50 3.341 -25.968 -26.179 1.00 0.00 C ATOM 416 O ILE A 50 4.371 -26.559 -26.540 1.00 0.00 O ATOM 417 CB ILE A 50 3.973 -24.984 -23.879 1.00 0.00 C ATOM 418 CG1 ILE A 50 3.545 -24.862 -22.375 1.00 0.00 C ATOM 419 CG2 ILE A 50 4.114 -23.584 -24.532 1.00 0.00 C ATOM 420 CD1 ILE A 50 2.157 -24.271 -22.147 1.00 0.00 C ATOM 0 H ILE A 50 3.800 -27.498 -23.592 1.00 0.00 H new ATOM 0 HA ILE A 50 1.980 -25.479 -24.567 1.00 0.00 H new ATOM 0 HB ILE A 50 4.954 -25.457 -23.920 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.581 -25.852 -21.921 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.277 -24.245 -21.853 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.811 -22.980 -23.951 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.490 -23.693 -25.549 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.141 -23.094 -24.555 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.951 -24.227 -21.077 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.116 -23.266 -22.566 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.410 -24.898 -22.634 1.00 0.00 H new ATOM 492 N SER A 55 -1.571 -23.116 -33.188 1.00 0.00 N ATOM 493 CA SER A 55 -2.985 -23.320 -32.894 1.00 0.00 C ATOM 494 C SER A 55 -3.201 -24.739 -32.339 1.00 0.00 C ATOM 495 O SER A 55 -2.884 -25.727 -33.019 1.00 0.00 O ATOM 496 CB SER A 55 -3.781 -23.117 -34.184 1.00 0.00 C ATOM 497 OG SER A 55 -3.582 -21.807 -34.696 1.00 0.00 O ATOM 0 HA SER A 55 -3.324 -22.607 -32.143 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.474 -23.854 -34.926 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.841 -23.281 -33.992 1.00 0.00 H new ATOM 0 HG SER A 55 -3.983 -21.740 -35.588 1.00 0.00 H new ATOM 503 N LEU A 56 -3.706 -24.818 -31.103 1.00 0.00 N ATOM 504 CA LEU A 56 -3.963 -26.102 -30.404 1.00 0.00 C ATOM 505 C LEU A 56 -5.284 -26.745 -30.878 1.00 0.00 C ATOM 506 O LEU A 56 -6.033 -26.138 -31.653 1.00 0.00 O ATOM 507 CB LEU A 56 -3.933 -25.867 -28.844 1.00 0.00 C ATOM 508 CG LEU A 56 -4.673 -24.586 -28.300 1.00 0.00 C ATOM 509 CD1 LEU A 56 -6.183 -24.617 -28.577 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.406 -24.337 -26.798 1.00 0.00 C ATOM 0 H LEU A 56 -3.952 -23.997 -30.550 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.175 -26.812 -30.654 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.369 -26.741 -28.361 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.891 -25.816 -28.529 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.248 -23.750 -28.855 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.644 -23.712 -28.182 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.355 -24.672 -29.652 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.624 -25.489 -28.094 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.940 -23.443 -26.477 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.753 -25.194 -26.220 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.337 -24.199 -26.636 1.00 0.00 H new ATOM 522 N ASP A 57 -5.560 -27.966 -30.391 1.00 0.00 N ATOM 523 CA ASP A 57 -6.799 -28.721 -30.710 1.00 0.00 C ATOM 524 C ASP A 57 -7.737 -28.820 -29.478 1.00 0.00 C ATOM 525 O ASP A 57 -8.813 -29.418 -29.551 1.00 0.00 O ATOM 526 CB ASP A 57 -6.442 -30.137 -31.233 1.00 0.00 C ATOM 527 CG ASP A 57 -5.790 -31.050 -30.175 1.00 0.00 C ATOM 528 OD1 ASP A 57 -4.723 -30.680 -29.638 1.00 0.00 O ATOM 529 OD2 ASP A 57 -6.335 -32.134 -29.873 1.00 0.00 O ATOM 0 H ASP A 57 -4.932 -28.466 -29.762 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.333 -28.177 -31.490 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.349 -30.616 -31.602 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.765 -30.040 -32.081 1.00 0.00 H new ATOM 534 N GLU A 58 -7.347 -28.151 -28.371 1.00 0.00 N ATOM 535 CA GLU A 58 -8.033 -28.243 -27.063 1.00 0.00 C ATOM 536 C GLU A 58 -8.144 -26.847 -26.423 1.00 0.00 C ATOM 537 O GLU A 58 -7.135 -26.242 -26.063 1.00 0.00 O ATOM 538 CB GLU A 58 -7.285 -29.199 -26.097 1.00 0.00 C ATOM 539 CG GLU A 58 -7.343 -30.684 -26.480 1.00 0.00 C ATOM 540 CD GLU A 58 -6.633 -31.565 -25.448 1.00 0.00 C ATOM 541 OE1 GLU A 58 -7.172 -31.725 -24.325 1.00 0.00 O ATOM 542 OE2 GLU A 58 -5.534 -32.088 -25.741 1.00 0.00 O ATOM 0 H GLU A 58 -6.540 -27.527 -28.360 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.030 -28.646 -27.239 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.240 -28.893 -26.044 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.703 -29.081 -25.097 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.384 -30.996 -26.570 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.882 -30.826 -27.458 1.00 0.00 H new ATOM 549 N CYS A 59 -9.380 -26.352 -26.324 1.00 0.00 N ATOM 550 CA CYS A 59 -9.732 -25.068 -25.665 1.00 0.00 C ATOM 551 C CYS A 59 -9.183 -24.980 -24.227 1.00 0.00 C ATOM 552 O CYS A 59 -9.384 -25.897 -23.451 1.00 0.00 O ATOM 553 CB CYS A 59 -11.259 -24.991 -25.642 1.00 0.00 C ATOM 554 SG CYS A 59 -11.978 -23.556 -24.814 1.00 0.00 S ATOM 0 H CYS A 59 -10.192 -26.837 -26.706 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.288 -24.239 -26.217 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.617 -25.007 -26.671 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.639 -25.891 -25.158 1.00 0.00 H new ATOM 0 HG CYS A 59 -13.133 -23.282 -25.345 1.00 0.00 H new ATOM 559 N GLU A 60 -8.508 -23.867 -23.874 1.00 0.00 N ATOM 560 CA GLU A 60 -7.919 -23.702 -22.515 1.00 0.00 C ATOM 561 C GLU A 60 -8.982 -23.334 -21.450 1.00 0.00 C ATOM 562 O GLU A 60 -8.681 -23.323 -20.251 1.00 0.00 O ATOM 563 CB GLU A 60 -6.783 -22.644 -22.544 1.00 0.00 C ATOM 564 CG GLU A 60 -7.229 -21.218 -22.926 1.00 0.00 C ATOM 565 CD GLU A 60 -6.089 -20.184 -22.996 1.00 0.00 C ATOM 566 OE1 GLU A 60 -4.901 -20.571 -23.078 1.00 0.00 O ATOM 567 OE2 GLU A 60 -6.382 -18.972 -22.992 1.00 0.00 O ATOM 0 H GLU A 60 -8.354 -23.074 -24.497 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.502 -24.666 -22.225 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.313 -22.610 -21.561 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.020 -22.971 -23.251 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.728 -21.255 -23.895 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.967 -20.876 -22.200 1.00 0.00 H new ATOM 574 N GLU A 61 -10.219 -23.049 -21.896 1.00 0.00 N ATOM 575 CA GLU A 61 -11.331 -22.660 -21.005 1.00 0.00 C ATOM 576 C GLU A 61 -12.108 -23.906 -20.556 1.00 0.00 C ATOM 577 O GLU A 61 -12.333 -24.132 -19.362 1.00 0.00 O ATOM 578 CB GLU A 61 -12.287 -21.689 -21.745 1.00 0.00 C ATOM 579 CG GLU A 61 -11.616 -20.432 -22.311 1.00 0.00 C ATOM 580 CD GLU A 61 -11.105 -19.447 -21.252 1.00 0.00 C ATOM 581 OE1 GLU A 61 -9.985 -19.634 -20.729 1.00 0.00 O ATOM 582 OE2 GLU A 61 -11.815 -18.466 -20.945 1.00 0.00 O ATOM 0 H GLU A 61 -10.477 -23.081 -22.882 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.919 -22.161 -20.128 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.767 -22.227 -22.563 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.076 -21.384 -21.057 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.779 -20.735 -22.940 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.328 -19.915 -22.955 1.00 0.00 H new ATOM 589 N CYS A 62 -12.492 -24.733 -21.542 1.00 0.00 N ATOM 590 CA CYS A 62 -13.437 -25.851 -21.309 1.00 0.00 C ATOM 591 C CYS A 62 -13.010 -27.141 -22.036 1.00 0.00 C ATOM 592 O CYS A 62 -13.802 -28.080 -22.145 1.00 0.00 O ATOM 593 CB CYS A 62 -14.851 -25.400 -21.741 1.00 0.00 C ATOM 594 SG CYS A 62 -15.141 -25.339 -23.543 1.00 0.00 S ATOM 0 H CYS A 62 -12.168 -24.654 -22.506 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.437 -26.095 -20.247 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.581 -26.076 -21.296 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -15.040 -24.410 -21.327 1.00 0.00 H new ATOM 0 HG CYS A 62 -14.138 -24.751 -24.124 1.00 0.00 H new ATOM 599 N GLY A 63 -11.742 -27.189 -22.499 1.00 0.00 N ATOM 600 CA GLY A 63 -11.158 -28.364 -23.191 1.00 0.00 C ATOM 601 C GLY A 63 -11.880 -28.814 -24.461 1.00 0.00 C ATOM 602 O GLY A 63 -11.562 -29.876 -25.002 1.00 0.00 O ATOM 0 H GLY A 63 -11.090 -26.411 -22.404 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.123 -28.135 -23.446 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.137 -29.200 -22.492 1.00 0.00 H new ATOM 606 N ALA A 64 -12.813 -27.984 -24.957 1.00 0.00 N ATOM 607 CA ALA A 64 -13.690 -28.324 -26.095 1.00 0.00 C ATOM 608 C ALA A 64 -12.874 -28.449 -27.402 1.00 0.00 C ATOM 609 O ALA A 64 -11.896 -27.688 -27.574 1.00 0.00 O ATOM 610 CB ALA A 64 -14.796 -27.272 -26.241 1.00 0.00 C ATOM 0 H ALA A 64 -12.983 -27.052 -24.579 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.154 -29.291 -25.898 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.437 -27.532 -27.083 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.391 -27.241 -25.328 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.347 -26.294 -26.415 1.00 0.00 H new ATOM 616 N PRO A 65 -13.265 -29.383 -28.339 1.00 0.00 N ATOM 617 CA PRO A 65 -12.512 -29.625 -29.589 1.00 0.00 C ATOM 618 C PRO A 65 -12.439 -28.356 -30.460 1.00 0.00 C ATOM 619 O PRO A 65 -13.464 -27.879 -30.962 1.00 0.00 O ATOM 620 CB PRO A 65 -13.307 -30.762 -30.304 1.00 0.00 C ATOM 621 CG PRO A 65 -14.154 -31.373 -29.228 1.00 0.00 C ATOM 622 CD PRO A 65 -14.478 -30.250 -28.272 1.00 0.00 C ATOM 0 HA PRO A 65 -11.475 -29.901 -29.399 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.921 -30.367 -31.114 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.635 -31.498 -30.744 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.063 -31.806 -29.645 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.621 -32.177 -28.720 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.376 -29.710 -28.574 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.653 -30.620 -27.262 1.00 0.00 H new ATOM 630 N ILE A 66 -11.227 -27.783 -30.550 1.00 0.00 N ATOM 631 CA ILE A 66 -10.945 -26.624 -31.402 1.00 0.00 C ATOM 632 C ILE A 66 -11.111 -27.035 -32.883 1.00 0.00 C ATOM 633 O ILE A 66 -10.375 -27.914 -33.351 1.00 0.00 O ATOM 634 CB ILE A 66 -9.482 -26.091 -31.154 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.282 -25.714 -29.655 1.00 0.00 C ATOM 636 CG2 ILE A 66 -9.143 -24.894 -32.083 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.706 -24.321 -29.281 1.00 0.00 C ATOM 0 H ILE A 66 -10.415 -28.115 -30.030 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.644 -25.824 -31.158 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.789 -26.896 -31.400 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.839 -26.423 -29.042 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.228 -25.835 -29.404 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.127 -24.554 -31.883 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.222 -25.207 -33.124 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.842 -24.079 -31.895 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.526 -24.159 -28.218 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.132 -23.598 -29.861 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.768 -24.195 -29.492 1.00 0.00 H new ATOM 649 N PRO A 67 -12.092 -26.435 -33.635 1.00 0.00 N ATOM 650 CA PRO A 67 -12.269 -26.742 -35.069 1.00 0.00 C ATOM 651 C PRO A 67 -11.039 -26.284 -35.876 1.00 0.00 C ATOM 652 O PRO A 67 -10.435 -25.243 -35.566 1.00 0.00 O ATOM 653 CB PRO A 67 -13.555 -25.964 -35.466 1.00 0.00 C ATOM 654 CG PRO A 67 -13.665 -24.872 -34.446 1.00 0.00 C ATOM 655 CD PRO A 67 -13.079 -25.429 -33.163 1.00 0.00 C ATOM 0 HA PRO A 67 -12.365 -27.809 -35.272 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.477 -25.558 -36.475 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.431 -26.612 -35.450 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.122 -23.983 -34.768 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.704 -24.577 -34.303 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.603 -24.649 -32.568 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.846 -25.884 -32.537 1.00 0.00 H new ATOM 663 N GLN A 68 -10.668 -27.071 -36.899 1.00 0.00 N ATOM 664 CA GLN A 68 -9.519 -26.769 -37.772 1.00 0.00 C ATOM 665 C GLN A 68 -9.735 -25.439 -38.532 1.00 0.00 C ATOM 666 O GLN A 68 -8.774 -24.847 -39.031 1.00 0.00 O ATOM 667 CB GLN A 68 -9.241 -27.965 -38.736 1.00 0.00 C ATOM 668 CG GLN A 68 -10.335 -28.228 -39.819 1.00 0.00 C ATOM 669 CD GLN A 68 -9.940 -27.826 -41.256 1.00 0.00 C ATOM 670 OE1 GLN A 68 -9.053 -26.851 -41.404 1.00 0.00 O flip ATOM 671 NE2 GLN A 68 -10.432 -28.402 -42.233 1.00 0.00 N flip ATOM 0 H GLN A 68 -11.154 -27.933 -37.145 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.632 -26.636 -37.153 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.291 -27.788 -39.241 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.122 -28.869 -38.139 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.586 -29.289 -39.810 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.238 -27.685 -39.541 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.112 -29.149 -42.095 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.157 -28.130 -43.177 1.00 0.00 H new ATOM 680 N ALA A 69 -11.013 -24.992 -38.582 1.00 0.00 N ATOM 681 CA ALA A 69 -11.414 -23.684 -39.122 1.00 0.00 C ATOM 682 C ALA A 69 -10.812 -22.543 -38.281 1.00 0.00 C ATOM 683 O ALA A 69 -10.293 -21.575 -38.819 1.00 0.00 O ATOM 684 CB ALA A 69 -12.953 -23.583 -39.158 1.00 0.00 C ATOM 0 H ALA A 69 -11.801 -25.543 -38.242 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.032 -23.589 -40.139 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.245 -22.612 -39.559 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.355 -24.373 -39.792 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.349 -23.692 -38.148 1.00 0.00 H new ATOM 690 N ARG A 70 -10.884 -22.692 -36.943 1.00 0.00 N ATOM 691 CA ARG A 70 -10.292 -21.733 -35.982 1.00 0.00 C ATOM 692 C ARG A 70 -8.762 -21.831 -35.969 1.00 0.00 C ATOM 693 O ARG A 70 -8.073 -20.827 -35.762 1.00 0.00 O ATOM 694 CB ARG A 70 -10.866 -21.973 -34.555 1.00 0.00 C ATOM 695 CG ARG A 70 -12.311 -21.473 -34.385 1.00 0.00 C ATOM 696 CD ARG A 70 -12.391 -19.938 -34.349 1.00 0.00 C ATOM 697 NE ARG A 70 -13.767 -19.452 -34.535 1.00 0.00 N ATOM 698 CZ ARG A 70 -14.128 -18.165 -34.629 1.00 0.00 C ATOM 699 NH1 ARG A 70 -13.251 -17.181 -34.454 1.00 0.00 N ATOM 700 NH2 ARG A 70 -15.379 -17.878 -34.912 1.00 0.00 N ATOM 0 H ARG A 70 -11.354 -23.479 -36.496 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.559 -20.726 -36.303 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.830 -23.039 -34.332 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.228 -21.473 -33.826 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.923 -21.848 -35.205 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.729 -21.879 -33.464 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.005 -19.577 -33.395 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.752 -19.524 -35.129 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.507 -20.152 -34.598 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.277 -17.398 -34.243 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.552 -16.210 -34.531 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -16.055 -18.629 -35.056 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -15.674 -16.905 -34.988 1.00 0.00 H new ATOM 714 N ARG A 71 -8.242 -23.053 -36.190 1.00 0.00 N ATOM 715 CA ARG A 71 -6.792 -23.316 -36.172 1.00 0.00 C ATOM 716 C ARG A 71 -6.080 -22.646 -37.363 1.00 0.00 C ATOM 717 O ARG A 71 -4.928 -22.207 -37.237 1.00 0.00 O ATOM 718 CB ARG A 71 -6.497 -24.841 -36.140 1.00 0.00 C ATOM 719 CG ARG A 71 -7.102 -25.584 -34.926 1.00 0.00 C ATOM 720 CD ARG A 71 -6.667 -27.057 -34.820 1.00 0.00 C ATOM 721 NE ARG A 71 -5.222 -27.192 -34.528 1.00 0.00 N ATOM 722 CZ ARG A 71 -4.573 -28.355 -34.334 1.00 0.00 C ATOM 723 NH1 ARG A 71 -5.205 -29.517 -34.441 1.00 0.00 N ATOM 724 NH2 ARG A 71 -3.281 -28.347 -34.032 1.00 0.00 N ATOM 0 H ARG A 71 -8.809 -23.878 -36.384 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.395 -22.875 -35.257 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.881 -25.292 -37.055 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.417 -24.990 -36.140 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.814 -25.063 -34.013 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.189 -25.539 -34.989 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.242 -27.549 -34.036 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.897 -27.570 -35.754 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.674 -26.334 -34.469 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.198 -29.538 -34.674 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.698 -30.389 -34.291 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.782 -27.461 -33.947 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.786 -29.227 -33.884 1.00 0.00 H new ATOM 738 N GLU A 72 -6.774 -22.565 -38.516 1.00 0.00 N ATOM 739 CA GLU A 72 -6.220 -21.932 -39.730 1.00 0.00 C ATOM 740 C GLU A 72 -6.512 -20.417 -39.742 1.00 0.00 C ATOM 741 O GLU A 72 -5.669 -19.616 -40.175 1.00 0.00 O ATOM 742 CB GLU A 72 -6.766 -22.614 -41.017 1.00 0.00 C ATOM 743 CG GLU A 72 -8.287 -22.498 -41.231 1.00 0.00 C ATOM 744 CD GLU A 72 -8.757 -23.093 -42.564 1.00 0.00 C ATOM 745 OE1 GLU A 72 -8.772 -22.367 -43.575 1.00 0.00 O ATOM 746 OE2 GLU A 72 -9.095 -24.291 -42.608 1.00 0.00 O ATOM 0 H GLU A 72 -7.719 -22.930 -38.632 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.139 -22.068 -39.714 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.261 -22.181 -41.880 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.500 -23.671 -40.989 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.802 -23.003 -40.414 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.574 -21.447 -41.188 1.00 0.00 H new ATOM 753 N ALA A 73 -7.708 -20.037 -39.251 1.00 0.00 N ATOM 754 CA ALA A 73 -8.178 -18.635 -39.270 1.00 0.00 C ATOM 755 C ALA A 73 -7.413 -17.765 -38.261 1.00 0.00 C ATOM 756 O ALA A 73 -7.114 -16.591 -38.530 1.00 0.00 O ATOM 757 CB ALA A 73 -9.687 -18.573 -38.977 1.00 0.00 C ATOM 0 H ALA A 73 -8.373 -20.688 -38.832 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.987 -18.239 -40.267 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.019 -17.535 -38.994 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.228 -19.140 -39.735 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.885 -19.001 -37.994 1.00 0.00 H new ATOM 763 N ILE A 74 -7.115 -18.357 -37.092 1.00 0.00 N ATOM 764 CA ILE A 74 -6.453 -17.663 -35.975 1.00 0.00 C ATOM 765 C ILE A 74 -5.130 -18.393 -35.646 1.00 0.00 C ATOM 766 O ILE A 74 -5.169 -19.537 -35.175 1.00 0.00 O ATOM 767 CB ILE A 74 -7.375 -17.628 -34.698 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.796 -17.095 -35.068 1.00 0.00 C ATOM 769 CG2 ILE A 74 -6.729 -16.789 -33.558 1.00 0.00 C ATOM 770 CD1 ILE A 74 -9.783 -17.057 -33.923 1.00 0.00 C ATOM 0 H ILE A 74 -7.328 -19.335 -36.895 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.253 -16.633 -36.271 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.483 -18.646 -34.325 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.695 -16.089 -35.475 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.207 -17.720 -35.861 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.389 -16.784 -32.691 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.770 -17.228 -33.282 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.574 -15.766 -33.902 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.739 -16.673 -34.279 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.921 -18.063 -33.528 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -9.402 -16.407 -33.135 1.00 0.00 H new ATOM 782 N PRO A 75 -3.943 -17.762 -35.928 1.00 0.00 N ATOM 783 CA PRO A 75 -2.626 -18.332 -35.562 1.00 0.00 C ATOM 784 C PRO A 75 -2.410 -18.277 -34.035 1.00 0.00 C ATOM 785 O PRO A 75 -2.358 -17.189 -33.438 1.00 0.00 O ATOM 786 CB PRO A 75 -1.615 -17.441 -36.334 1.00 0.00 C ATOM 787 CG PRO A 75 -2.321 -16.128 -36.513 1.00 0.00 C ATOM 788 CD PRO A 75 -3.793 -16.463 -36.643 1.00 0.00 C ATOM 0 HA PRO A 75 -2.522 -19.385 -35.822 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.688 -17.319 -35.774 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.351 -17.883 -37.295 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.144 -15.470 -35.662 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.959 -15.607 -37.400 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.417 -15.689 -36.196 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.090 -16.548 -37.688 1.00 0.00 H new ATOM 796 N GLY A 76 -2.326 -19.462 -33.407 1.00 0.00 N ATOM 797 CA GLY A 76 -2.212 -19.569 -31.955 1.00 0.00 C ATOM 798 C GLY A 76 -3.558 -19.393 -31.260 1.00 0.00 C ATOM 799 O GLY A 76 -3.647 -18.726 -30.216 1.00 0.00 O ATOM 0 H GLY A 76 -2.336 -20.360 -33.891 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.795 -20.542 -31.695 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.515 -18.815 -31.590 1.00 0.00 H new ATOM 803 N VAL A 77 -4.624 -19.983 -31.854 1.00 0.00 N ATOM 804 CA VAL A 77 -5.961 -19.999 -31.233 1.00 0.00 C ATOM 805 C VAL A 77 -5.925 -20.863 -29.965 1.00 0.00 C ATOM 806 O VAL A 77 -5.287 -21.918 -29.955 1.00 0.00 O ATOM 807 CB VAL A 77 -7.097 -20.498 -32.211 1.00 0.00 C ATOM 808 CG1 VAL A 77 -6.863 -21.948 -32.680 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.499 -20.345 -31.567 1.00 0.00 C ATOM 0 H VAL A 77 -4.579 -20.451 -32.759 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.212 -18.969 -30.979 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.056 -19.861 -33.095 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.669 -22.248 -33.350 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.911 -22.011 -33.206 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.844 -22.612 -31.815 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.260 -20.697 -32.264 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.545 -20.935 -30.651 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.679 -19.296 -31.332 1.00 0.00 H new ATOM 819 N ARG A 78 -6.566 -20.379 -28.889 1.00 0.00 N ATOM 820 CA ARG A 78 -6.635 -21.081 -27.590 1.00 0.00 C ATOM 821 C ARG A 78 -8.081 -21.175 -27.061 1.00 0.00 C ATOM 822 O ARG A 78 -8.326 -21.652 -25.951 1.00 0.00 O ATOM 823 CB ARG A 78 -5.635 -20.434 -26.575 1.00 0.00 C ATOM 824 CG ARG A 78 -5.415 -18.894 -26.673 1.00 0.00 C ATOM 825 CD ARG A 78 -6.651 -18.069 -26.295 1.00 0.00 C ATOM 826 NE ARG A 78 -6.403 -16.613 -26.357 1.00 0.00 N ATOM 827 CZ ARG A 78 -6.302 -15.786 -25.300 1.00 0.00 C ATOM 828 NH1 ARG A 78 -6.340 -16.246 -24.046 1.00 0.00 N ATOM 829 NH2 ARG A 78 -6.141 -14.490 -25.507 1.00 0.00 N ATOM 0 H ARG A 78 -7.055 -19.484 -28.892 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.320 -22.115 -27.731 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.982 -20.662 -25.567 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.668 -20.922 -26.697 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.588 -18.612 -26.022 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.119 -18.642 -27.691 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.472 -18.323 -26.966 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.968 -18.337 -25.287 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.299 -16.198 -27.283 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.448 -17.245 -23.872 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.261 -15.598 -23.262 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -6.095 -14.128 -26.459 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.063 -13.853 -24.714 1.00 0.00 H new ATOM 843 N LEU A 79 -9.046 -20.772 -27.905 1.00 0.00 N ATOM 844 CA LEU A 79 -10.480 -20.731 -27.552 1.00 0.00 C ATOM 845 C LEU A 79 -11.304 -21.473 -28.611 1.00 0.00 C ATOM 846 O LEU A 79 -11.166 -21.193 -29.805 1.00 0.00 O ATOM 847 CB LEU A 79 -10.964 -19.262 -27.454 1.00 0.00 C ATOM 848 CG LEU A 79 -10.201 -18.369 -26.440 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.482 -16.871 -26.666 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.519 -18.784 -24.999 1.00 0.00 C ATOM 0 H LEU A 79 -8.854 -20.463 -28.858 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.615 -21.217 -26.586 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.887 -18.807 -28.441 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.020 -19.264 -27.186 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.135 -18.521 -26.609 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.928 -16.283 -25.935 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.168 -16.590 -27.671 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.549 -16.680 -26.552 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.972 -18.143 -24.307 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.589 -18.683 -24.819 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.222 -19.821 -24.845 1.00 0.00 H new ATOM 862 N CYS A 80 -12.145 -22.438 -28.172 1.00 0.00 N ATOM 863 CA CYS A 80 -13.075 -23.155 -29.076 1.00 0.00 C ATOM 864 C CYS A 80 -14.126 -22.167 -29.570 1.00 0.00 C ATOM 865 O CYS A 80 -14.375 -21.191 -28.874 1.00 0.00 O ATOM 866 CB CYS A 80 -13.746 -24.338 -28.349 1.00 0.00 C ATOM 867 SG CYS A 80 -14.997 -23.850 -27.118 1.00 0.00 S ATOM 0 H CYS A 80 -12.199 -22.738 -27.199 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.520 -23.562 -29.921 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.215 -24.985 -29.090 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.976 -24.928 -27.853 1.00 0.00 H new ATOM 0 HG CYS A 80 -16.185 -24.082 -27.592 1.00 0.00 H new ATOM 872 N ILE A 81 -14.770 -22.443 -30.718 1.00 0.00 N ATOM 873 CA ILE A 81 -15.652 -21.472 -31.432 1.00 0.00 C ATOM 874 C ILE A 81 -16.734 -20.837 -30.501 1.00 0.00 C ATOM 875 O ILE A 81 -17.136 -19.690 -30.703 1.00 0.00 O ATOM 876 CB ILE A 81 -16.329 -22.167 -32.681 1.00 0.00 C ATOM 877 CG1 ILE A 81 -17.221 -21.157 -33.483 1.00 0.00 C ATOM 878 CG2 ILE A 81 -17.115 -23.436 -32.264 1.00 0.00 C ATOM 879 CD1 ILE A 81 -17.975 -21.757 -34.662 1.00 0.00 C ATOM 0 H ILE A 81 -14.700 -23.346 -31.187 1.00 0.00 H new ATOM 0 HA ILE A 81 -15.017 -20.654 -31.772 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.534 -22.492 -33.352 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -17.943 -20.711 -32.799 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.588 -20.349 -33.850 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.568 -23.890 -33.146 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.435 -24.149 -31.798 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -17.896 -23.163 -31.554 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.562 -20.980 -35.152 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -17.264 -22.177 -35.373 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.640 -22.544 -34.306 1.00 0.00 H new ATOM 891 N HIS A 82 -17.111 -21.579 -29.443 1.00 0.00 N ATOM 892 CA HIS A 82 -18.109 -21.147 -28.433 1.00 0.00 C ATOM 893 C HIS A 82 -17.508 -20.061 -27.502 1.00 0.00 C ATOM 894 O HIS A 82 -18.103 -18.998 -27.301 1.00 0.00 O ATOM 895 CB HIS A 82 -18.601 -22.371 -27.603 1.00 0.00 C ATOM 896 CG HIS A 82 -18.875 -23.603 -28.419 1.00 0.00 C ATOM 897 ND1 HIS A 82 -18.062 -24.629 -28.757 1.00 0.00 N flip ATOM 898 CD2 HIS A 82 -20.083 -23.867 -29.013 1.00 0.00 C flip ATOM 899 CE1 HIS A 82 -18.784 -25.479 -29.547 1.00 0.00 C flip ATOM 900 NE2 HIS A 82 -19.997 -24.993 -29.693 1.00 0.00 N flip ATOM 0 H HIS A 82 -16.730 -22.507 -29.259 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.964 -20.714 -28.952 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.851 -22.609 -26.849 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.511 -22.092 -27.071 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -20.966 -23.249 -28.936 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -18.418 -26.398 -29.980 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -20.746 -25.416 -30.241 1.00 0.00 H new ATOM 909 N CYS A 83 -16.303 -20.344 -26.948 1.00 0.00 N ATOM 910 CA CYS A 83 -15.556 -19.388 -26.094 1.00 0.00 C ATOM 911 C CYS A 83 -14.870 -18.303 -26.955 1.00 0.00 C ATOM 912 O CYS A 83 -14.458 -17.275 -26.435 1.00 0.00 O ATOM 913 CB CYS A 83 -14.474 -20.101 -25.243 1.00 0.00 C ATOM 914 SG CYS A 83 -15.071 -21.453 -24.189 1.00 0.00 S ATOM 0 H CYS A 83 -15.825 -21.235 -27.080 1.00 0.00 H new ATOM 0 HA CYS A 83 -16.285 -18.928 -25.427 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.712 -20.497 -25.914 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.987 -19.359 -24.610 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.186 -22.537 -24.897 1.00 0.00 H new ATOM 919 N GLN A 84 -14.710 -18.556 -28.269 1.00 0.00 N ATOM 920 CA GLN A 84 -13.977 -17.643 -29.164 1.00 0.00 C ATOM 921 C GLN A 84 -14.903 -16.510 -29.617 1.00 0.00 C ATOM 922 O GLN A 84 -14.510 -15.362 -29.558 1.00 0.00 O ATOM 923 CB GLN A 84 -13.366 -18.404 -30.395 1.00 0.00 C ATOM 924 CG GLN A 84 -11.978 -17.896 -30.871 1.00 0.00 C ATOM 925 CD GLN A 84 -11.881 -16.374 -31.038 1.00 0.00 C ATOM 926 OE1 GLN A 84 -12.223 -15.832 -32.081 1.00 0.00 O ATOM 927 NE2 GLN A 84 -11.407 -15.681 -30.004 1.00 0.00 N ATOM 0 H GLN A 84 -15.079 -19.386 -28.733 1.00 0.00 H new ATOM 0 HA GLN A 84 -13.141 -17.216 -28.610 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.280 -19.460 -30.141 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -14.065 -18.333 -31.228 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.222 -18.219 -30.156 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.739 -18.369 -31.823 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.131 -16.165 -29.149 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.320 -14.667 -30.067 1.00 0.00 H new