USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 549 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 22 LYS NZ :NH3+ 163:sc= 0.729 (180deg=0.0425) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0.18 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.242 K(o=-0.24,f=-2.9!) USER MOD Single : A 25 SER OG : rot 170:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 38:sc= -0.234 USER MOD Single : A 34 LYS NZ :NH3+ -164:sc= 0.0752 (180deg=0.0275) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -111:sc= -1 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -1.19! USER MOD Single : A 68 LYS NZ :NH3+ -118:sc=-0.00597 (180deg=-0.0367) USER MOD Single : A 69 ASN : amide:sc= -3.87! C(o=-3.9!,f=-5.7!) USER MOD Single : A 73 LYS NZ :NH3+ -136:sc= -0.015 (180deg=-0.246) USER MOD Single : A 74 GLN : amide:sc= -0.994 K(o=-0.99,f=-14!) USER MOD Single : A 82 SER OG : rot 180:sc= 0.155 USER MOD Single : A 84 SER OG : rot -163:sc= -2.28 USER MOD Single : A 87 TYR OH : rot 100:sc= 0 USER MOD Single : A 88 THR OG1 : rot -62:sc= 0.704 USER MOD ----------------------------------------------------------------- ATOM 228 N ALA A 15 80.427 8.716 3.355 1.00 0.00 N ATOM 229 CA ALA A 15 79.114 8.421 2.711 1.00 0.00 C ATOM 230 C ALA A 15 79.319 7.487 1.518 1.00 0.00 C ATOM 231 O ALA A 15 78.419 6.784 1.104 1.00 0.00 O ATOM 232 CB ALA A 15 78.589 9.773 2.236 1.00 0.00 C ATOM 0 HA ALA A 15 78.420 7.931 3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 15 77.623 9.638 1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.475 10.440 3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 15 79.294 10.208 1.528 1.00 0.00 H new ATOM 238 N ALA A 16 80.496 7.482 0.956 1.00 0.00 N ATOM 239 CA ALA A 16 80.759 6.604 -0.216 1.00 0.00 C ATOM 240 C ALA A 16 80.621 5.134 0.171 1.00 0.00 C ATOM 241 O ALA A 16 79.918 4.377 -0.469 1.00 0.00 O ATOM 242 CB ALA A 16 82.195 6.918 -0.636 1.00 0.00 C ATOM 0 H ALA A 16 81.288 8.049 1.259 1.00 0.00 H new ATOM 0 HA ALA A 16 80.050 6.781 -1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 16 82.464 6.307 -1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 16 82.275 7.973 -0.899 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.872 6.698 0.190 1.00 0.00 H new ATOM 248 N ARG A 17 81.277 4.720 1.213 1.00 0.00 N ATOM 249 CA ARG A 17 81.169 3.297 1.632 1.00 0.00 C ATOM 250 C ARG A 17 79.720 2.968 1.998 1.00 0.00 C ATOM 251 O ARG A 17 79.362 1.825 2.185 1.00 0.00 O ATOM 252 CB ARG A 17 82.082 3.161 2.852 1.00 0.00 C ATOM 253 CG ARG A 17 81.531 3.999 4.005 1.00 0.00 C ATOM 254 CD ARG A 17 82.602 4.988 4.471 1.00 0.00 C ATOM 255 NE ARG A 17 83.403 4.241 5.480 1.00 0.00 N ATOM 256 CZ ARG A 17 83.381 4.608 6.732 1.00 0.00 C ATOM 257 NH1 ARG A 17 83.552 5.862 7.047 1.00 0.00 N ATOM 258 NH2 ARG A 17 83.191 3.720 7.669 1.00 0.00 N ATOM 0 H ARG A 17 81.882 5.302 1.793 1.00 0.00 H new ATOM 0 HA ARG A 17 81.461 2.610 0.838 1.00 0.00 H new ATOM 0 HB2 ARG A 17 82.152 2.115 3.151 1.00 0.00 H new ATOM 0 HB3 ARG A 17 83.091 3.489 2.601 1.00 0.00 H new ATOM 0 HG2 ARG A 17 80.639 4.537 3.684 1.00 0.00 H new ATOM 0 HG3 ARG A 17 81.234 3.352 4.830 1.00 0.00 H new ATOM 0 HD2 ARG A 17 83.224 5.318 3.639 1.00 0.00 H new ATOM 0 HD3 ARG A 17 82.153 5.881 4.906 1.00 0.00 H new ATOM 0 HE ARG A 17 83.969 3.443 5.192 1.00 0.00 H new ATOM 0 HH11 ARG A 17 83.703 6.556 6.315 1.00 0.00 H new ATOM 0 HH12 ARG A 17 83.535 6.149 8.026 1.00 0.00 H new ATOM 0 HH21 ARG A 17 83.060 2.739 7.423 1.00 0.00 H new ATOM 0 HH22 ARG A 17 83.174 4.007 8.648 1.00 0.00 H new ATOM 272 N THR A 18 78.876 3.960 2.097 1.00 0.00 N ATOM 273 CA THR A 18 77.454 3.688 2.447 1.00 0.00 C ATOM 274 C THR A 18 76.552 3.904 1.230 1.00 0.00 C ATOM 275 O THR A 18 76.176 5.016 0.913 1.00 0.00 O ATOM 276 CB THR A 18 77.115 4.691 3.549 1.00 0.00 C ATOM 277 OG1 THR A 18 78.179 4.734 4.491 1.00 0.00 O ATOM 278 CG2 THR A 18 75.825 4.261 4.251 1.00 0.00 C ATOM 0 H THR A 18 79.109 4.942 1.951 1.00 0.00 H new ATOM 0 HA THR A 18 77.303 2.658 2.772 1.00 0.00 H new ATOM 0 HB THR A 18 76.976 5.680 3.113 1.00 0.00 H new ATOM 0 HG1 THR A 18 77.964 5.378 5.198 1.00 0.00 H new ATOM 0 HG21 THR A 18 75.583 4.976 5.037 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.011 4.228 3.527 1.00 0.00 H new ATOM 0 HG23 THR A 18 75.961 3.272 4.689 1.00 0.00 H new ATOM 286 N LEU A 19 76.192 2.849 0.552 1.00 0.00 N ATOM 287 CA LEU A 19 75.304 2.996 -0.638 1.00 0.00 C ATOM 288 C LEU A 19 73.937 2.387 -0.343 1.00 0.00 C ATOM 289 O LEU A 19 73.740 1.735 0.663 1.00 0.00 O ATOM 290 CB LEU A 19 76.003 2.247 -1.772 1.00 0.00 C ATOM 291 CG LEU A 19 76.573 0.928 -1.256 1.00 0.00 C ATOM 292 CD1 LEU A 19 76.450 -0.137 -2.346 1.00 0.00 C ATOM 293 CD2 LEU A 19 78.046 1.132 -0.899 1.00 0.00 C ATOM 0 H LEU A 19 76.473 1.893 0.769 1.00 0.00 H new ATOM 0 HA LEU A 19 75.139 4.041 -0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.298 2.056 -2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 19 76.803 2.861 -2.185 1.00 0.00 H new ATOM 0 HG LEU A 19 76.023 0.603 -0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 19 76.856 -1.080 -1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 19 75.400 -0.271 -2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 19 77.006 0.180 -3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.464 0.196 -0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 19 78.595 1.449 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.131 1.897 -0.127 1.00 0.00 H new ATOM 305 N LEU A 20 72.984 2.610 -1.200 1.00 0.00 N ATOM 306 CA LEU A 20 71.617 2.055 -0.943 1.00 0.00 C ATOM 307 C LEU A 20 71.295 0.887 -1.886 1.00 0.00 C ATOM 308 O LEU A 20 71.272 1.038 -3.086 1.00 0.00 O ATOM 309 CB LEU A 20 70.665 3.223 -1.205 1.00 0.00 C ATOM 310 CG LEU A 20 69.230 2.791 -0.900 1.00 0.00 C ATOM 311 CD1 LEU A 20 68.810 3.342 0.464 1.00 0.00 C ATOM 312 CD2 LEU A 20 68.294 3.337 -1.980 1.00 0.00 C ATOM 0 H LEU A 20 73.084 3.147 -2.062 1.00 0.00 H new ATOM 0 HA LEU A 20 71.532 1.660 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 20 70.939 4.076 -0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.746 3.546 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 20 69.173 1.703 -0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 20 67.787 3.034 0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 20 69.477 2.955 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 20 68.866 4.430 0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 20 67.271 3.030 -1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 20 68.351 4.425 -1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 20 68.593 2.945 -2.952 1.00 0.00 H new ATOM 324 N ALA A 21 71.021 -0.272 -1.349 1.00 0.00 N ATOM 325 CA ALA A 21 70.679 -1.430 -2.225 1.00 0.00 C ATOM 326 C ALA A 21 69.227 -1.303 -2.697 1.00 0.00 C ATOM 327 O ALA A 21 68.374 -0.822 -1.977 1.00 0.00 O ATOM 328 CB ALA A 21 70.850 -2.664 -1.337 1.00 0.00 C ATOM 0 H ALA A 21 71.019 -0.466 -0.348 1.00 0.00 H new ATOM 0 HA ALA A 21 71.307 -1.484 -3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.616 -3.561 -1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 21 71.880 -2.718 -0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.176 -2.594 -0.483 1.00 0.00 H new ATOM 334 N LYS A 22 68.937 -1.718 -3.900 1.00 0.00 N ATOM 335 CA LYS A 22 67.539 -1.605 -4.403 1.00 0.00 C ATOM 336 C LYS A 22 67.209 -2.771 -5.337 1.00 0.00 C ATOM 337 O LYS A 22 68.028 -3.634 -5.585 1.00 0.00 O ATOM 338 CB LYS A 22 67.501 -0.281 -5.168 1.00 0.00 C ATOM 339 CG LYS A 22 66.057 0.217 -5.261 1.00 0.00 C ATOM 340 CD LYS A 22 65.636 0.296 -6.729 1.00 0.00 C ATOM 341 CE LYS A 22 64.506 1.316 -6.883 1.00 0.00 C ATOM 342 NZ LYS A 22 65.189 2.638 -6.949 1.00 0.00 N ATOM 0 H LYS A 22 69.604 -2.128 -4.553 1.00 0.00 H new ATOM 0 HA LYS A 22 66.809 -1.634 -3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 22 68.120 0.460 -4.663 1.00 0.00 H new ATOM 0 HB3 LYS A 22 67.915 -0.415 -6.167 1.00 0.00 H new ATOM 0 HG2 LYS A 22 65.394 -0.456 -4.718 1.00 0.00 H new ATOM 0 HG3 LYS A 22 65.969 1.198 -4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 22 66.486 0.584 -7.347 1.00 0.00 H new ATOM 0 HD3 LYS A 22 65.306 -0.683 -7.077 1.00 0.00 H new ATOM 0 HE2 LYS A 22 63.923 1.127 -7.785 1.00 0.00 H new ATOM 0 HE3 LYS A 22 63.815 1.270 -6.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 64.535 3.348 -7.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 65.485 2.924 -5.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 66.025 2.566 -7.563 1.00 0.00 H new ATOM 356 N ASN A 23 66.013 -2.803 -5.854 1.00 0.00 N ATOM 357 CA ASN A 23 65.625 -3.912 -6.773 1.00 0.00 C ATOM 358 C ASN A 23 65.730 -5.256 -6.048 1.00 0.00 C ATOM 359 O ASN A 23 65.702 -6.306 -6.658 1.00 0.00 O ATOM 360 CB ASN A 23 66.628 -3.844 -7.924 1.00 0.00 C ATOM 361 CG ASN A 23 65.981 -4.391 -9.198 1.00 0.00 C ATOM 362 OD1 ASN A 23 64.780 -4.562 -9.259 1.00 0.00 O ATOM 363 ND2 ASN A 23 66.734 -4.674 -10.226 1.00 0.00 N ATOM 0 H ASN A 23 65.286 -2.109 -5.681 1.00 0.00 H new ATOM 0 HA ASN A 23 64.597 -3.818 -7.124 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.949 -2.814 -8.080 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.519 -4.422 -7.679 1.00 0.00 H new ATOM 0 HD21 ASN A 23 66.314 -5.039 -11.081 1.00 0.00 H new ATOM 0 HD22 ASN A 23 67.743 -4.530 -10.174 1.00 0.00 H new ATOM 370 N LEU A 24 65.848 -5.228 -4.749 1.00 0.00 N ATOM 371 CA LEU A 24 65.954 -6.501 -3.982 1.00 0.00 C ATOM 372 C LEU A 24 64.654 -7.302 -4.107 1.00 0.00 C ATOM 373 O LEU A 24 63.796 -6.988 -4.907 1.00 0.00 O ATOM 374 CB LEU A 24 66.183 -6.071 -2.534 1.00 0.00 C ATOM 375 CG LEU A 24 67.592 -5.496 -2.388 1.00 0.00 C ATOM 376 CD1 LEU A 24 67.505 -4.048 -1.904 1.00 0.00 C ATOM 377 CD2 LEU A 24 68.380 -6.326 -1.373 1.00 0.00 C ATOM 0 H LEU A 24 65.876 -4.378 -4.185 1.00 0.00 H new ATOM 0 HA LEU A 24 66.757 -7.140 -4.349 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.443 -5.325 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 24 66.056 -6.923 -1.866 1.00 0.00 H new ATOM 0 HG LEU A 24 68.098 -5.527 -3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.510 -3.638 -1.800 1.00 0.00 H new ATOM 0 HD12 LEU A 24 66.945 -3.456 -2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 24 66.999 -4.017 -0.939 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.385 -5.916 -1.269 1.00 0.00 H new ATOM 0 HD22 LEU A 24 67.874 -6.296 -0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 24 68.443 -7.358 -1.718 1.00 0.00 H new ATOM 389 N SER A 25 64.502 -8.331 -3.320 1.00 0.00 N ATOM 390 CA SER A 25 63.256 -9.147 -3.396 1.00 0.00 C ATOM 391 C SER A 25 62.618 -9.265 -2.010 1.00 0.00 C ATOM 392 O SER A 25 63.084 -8.686 -1.049 1.00 0.00 O ATOM 393 CB SER A 25 63.709 -10.518 -3.896 1.00 0.00 C ATOM 394 OG SER A 25 62.728 -11.042 -4.780 1.00 0.00 O ATOM 0 H SER A 25 65.185 -8.642 -2.629 1.00 0.00 H new ATOM 0 HA SER A 25 62.509 -8.701 -4.053 1.00 0.00 H new ATOM 0 HB2 SER A 25 64.668 -10.433 -4.407 1.00 0.00 H new ATOM 0 HB3 SER A 25 63.856 -11.195 -3.054 1.00 0.00 H new ATOM 0 HG SER A 25 63.082 -11.839 -5.226 1.00 0.00 H new ATOM 400 N PHE A 26 61.554 -10.011 -1.900 1.00 0.00 N ATOM 401 CA PHE A 26 60.884 -10.166 -0.581 1.00 0.00 C ATOM 402 C PHE A 26 61.554 -11.285 0.222 1.00 0.00 C ATOM 403 O PHE A 26 61.332 -11.432 1.407 1.00 0.00 O ATOM 404 CB PHE A 26 59.444 -10.537 -0.927 1.00 0.00 C ATOM 405 CG PHE A 26 58.575 -9.304 -0.855 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.621 -8.356 -1.884 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.724 -9.108 0.239 1.00 0.00 C ATOM 408 CE1 PHE A 26 57.817 -7.212 -1.820 1.00 0.00 C ATOM 409 CE2 PHE A 26 56.919 -7.964 0.303 1.00 0.00 C ATOM 410 CZ PHE A 26 56.966 -7.016 -0.726 1.00 0.00 C ATOM 0 H PHE A 26 61.119 -10.521 -2.669 1.00 0.00 H new ATOM 0 HA PHE A 26 60.941 -9.265 0.030 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.399 -10.969 -1.927 1.00 0.00 H new ATOM 0 HB3 PHE A 26 59.076 -11.295 -0.235 1.00 0.00 H new ATOM 0 HD1 PHE A 26 59.277 -8.507 -2.728 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.688 -9.839 1.033 1.00 0.00 H new ATOM 0 HE1 PHE A 26 57.853 -6.481 -2.614 1.00 0.00 H new ATOM 0 HE2 PHE A 26 56.262 -7.813 1.146 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.346 -6.133 -0.676 1.00 0.00 H new ATOM 420 N ASN A 27 62.373 -12.075 -0.418 1.00 0.00 N ATOM 421 CA ASN A 27 63.055 -13.183 0.301 1.00 0.00 C ATOM 422 C ASN A 27 64.494 -12.789 0.647 1.00 0.00 C ATOM 423 O ASN A 27 64.979 -13.062 1.726 1.00 0.00 O ATOM 424 CB ASN A 27 63.040 -14.359 -0.677 1.00 0.00 C ATOM 425 CG ASN A 27 63.787 -15.544 -0.061 1.00 0.00 C ATOM 426 OD1 ASN A 27 63.333 -16.128 0.902 1.00 0.00 O ATOM 427 ND2 ASN A 27 64.921 -15.926 -0.581 1.00 0.00 N ATOM 0 H ASN A 27 62.598 -11.999 -1.410 1.00 0.00 H new ATOM 0 HA ASN A 27 62.561 -13.428 1.241 1.00 0.00 H new ATOM 0 HB2 ASN A 27 62.013 -14.642 -0.906 1.00 0.00 H new ATOM 0 HB3 ASN A 27 63.508 -14.069 -1.618 1.00 0.00 H new ATOM 0 HD21 ASN A 27 65.426 -16.715 -0.179 1.00 0.00 H new ATOM 0 HD22 ASN A 27 65.302 -15.435 -1.390 1.00 0.00 H new ATOM 434 N ILE A 28 65.181 -12.150 -0.261 1.00 0.00 N ATOM 435 CA ILE A 28 66.588 -11.743 0.017 1.00 0.00 C ATOM 436 C ILE A 28 66.690 -11.103 1.406 1.00 0.00 C ATOM 437 O ILE A 28 65.697 -10.777 2.023 1.00 0.00 O ATOM 438 CB ILE A 28 66.934 -10.731 -1.079 1.00 0.00 C ATOM 439 CG1 ILE A 28 68.455 -10.594 -1.184 1.00 0.00 C ATOM 440 CG2 ILE A 28 66.324 -9.368 -0.745 1.00 0.00 C ATOM 441 CD1 ILE A 28 68.880 -10.731 -2.647 1.00 0.00 C ATOM 0 H ILE A 28 64.829 -11.892 -1.183 1.00 0.00 H new ATOM 0 HA ILE A 28 67.273 -12.591 0.013 1.00 0.00 H new ATOM 0 HB ILE A 28 66.529 -11.081 -2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.772 -9.628 -0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 28 68.942 -11.359 -0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 28 66.575 -8.655 -1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 28 65.240 -9.462 -0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 28 66.721 -9.015 0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 28 69.963 -10.633 -2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 28 68.577 -11.708 -3.024 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.404 -9.950 -3.239 1.00 0.00 H new ATOM 453 N THR A 29 67.886 -10.923 1.899 1.00 0.00 N ATOM 454 CA THR A 29 68.052 -10.307 3.247 1.00 0.00 C ATOM 455 C THR A 29 69.505 -9.871 3.454 1.00 0.00 C ATOM 456 O THR A 29 70.360 -10.102 2.621 1.00 0.00 O ATOM 457 CB THR A 29 67.686 -11.416 4.236 1.00 0.00 C ATOM 458 OG1 THR A 29 68.095 -12.670 3.709 1.00 0.00 O ATOM 459 CG2 THR A 29 66.174 -11.423 4.463 1.00 0.00 C ATOM 0 H THR A 29 68.754 -11.176 1.427 1.00 0.00 H new ATOM 0 HA THR A 29 67.430 -9.421 3.374 1.00 0.00 H new ATOM 0 HB THR A 29 68.191 -11.238 5.186 1.00 0.00 H new ATOM 0 HG1 THR A 29 68.951 -12.566 3.243 1.00 0.00 H new ATOM 0 HG21 THR A 29 65.916 -12.213 5.168 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.862 -10.460 4.868 1.00 0.00 H new ATOM 0 HG23 THR A 29 65.665 -11.600 3.516 1.00 0.00 H new ATOM 467 N GLU A 30 69.795 -9.247 4.564 1.00 0.00 N ATOM 468 CA GLU A 30 71.194 -8.807 4.822 1.00 0.00 C ATOM 469 C GLU A 30 72.147 -9.977 4.579 1.00 0.00 C ATOM 470 O GLU A 30 73.272 -9.799 4.155 1.00 0.00 O ATOM 471 CB GLU A 30 71.216 -8.385 6.292 1.00 0.00 C ATOM 472 CG GLU A 30 72.663 -8.318 6.786 1.00 0.00 C ATOM 473 CD GLU A 30 72.935 -9.492 7.729 1.00 0.00 C ATOM 474 OE1 GLU A 30 72.699 -9.339 8.916 1.00 0.00 O ATOM 475 OE2 GLU A 30 73.376 -10.522 7.248 1.00 0.00 O ATOM 0 H GLU A 30 69.125 -9.024 5.300 1.00 0.00 H new ATOM 0 HA GLU A 30 71.507 -7.992 4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 30 70.736 -7.413 6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 30 70.649 -9.095 6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 30 73.349 -8.351 5.940 1.00 0.00 H new ATOM 0 HG3 GLU A 30 72.839 -7.374 7.303 1.00 0.00 H new ATOM 482 N ASP A 31 71.698 -11.174 4.833 1.00 0.00 N ATOM 483 CA ASP A 31 72.570 -12.360 4.605 1.00 0.00 C ATOM 484 C ASP A 31 72.969 -12.424 3.133 1.00 0.00 C ATOM 485 O ASP A 31 74.136 -12.422 2.791 1.00 0.00 O ATOM 486 CB ASP A 31 71.710 -13.567 4.985 1.00 0.00 C ATOM 487 CG ASP A 31 72.060 -14.017 6.405 1.00 0.00 C ATOM 488 OD1 ASP A 31 72.755 -13.280 7.084 1.00 0.00 O ATOM 489 OD2 ASP A 31 71.626 -15.091 6.788 1.00 0.00 O ATOM 0 H ASP A 31 70.765 -11.383 5.189 1.00 0.00 H new ATOM 0 HA ASP A 31 73.490 -12.324 5.189 1.00 0.00 H new ATOM 0 HB2 ASP A 31 70.653 -13.307 4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 31 71.878 -14.383 4.282 1.00 0.00 H new ATOM 494 N GLU A 32 72.007 -12.466 2.258 1.00 0.00 N ATOM 495 CA GLU A 32 72.325 -12.515 0.803 1.00 0.00 C ATOM 496 C GLU A 32 73.074 -11.244 0.404 1.00 0.00 C ATOM 497 O GLU A 32 73.924 -11.253 -0.468 1.00 0.00 O ATOM 498 CB GLU A 32 70.970 -12.590 0.099 1.00 0.00 C ATOM 499 CG GLU A 32 70.443 -14.025 0.155 1.00 0.00 C ATOM 500 CD GLU A 32 70.331 -14.471 1.614 1.00 0.00 C ATOM 501 OE1 GLU A 32 69.363 -14.095 2.255 1.00 0.00 O ATOM 502 OE2 GLU A 32 71.214 -15.181 2.066 1.00 0.00 O ATOM 0 H GLU A 32 71.013 -12.469 2.486 1.00 0.00 H new ATOM 0 HA GLU A 32 72.958 -13.362 0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.262 -11.913 0.577 1.00 0.00 H new ATOM 0 HB3 GLU A 32 71.069 -12.268 -0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 32 69.469 -14.085 -0.331 1.00 0.00 H new ATOM 0 HG3 GLU A 32 71.112 -14.691 -0.390 1.00 0.00 H new ATOM 509 N LEU A 33 72.782 -10.155 1.056 1.00 0.00 N ATOM 510 CA LEU A 33 73.487 -8.891 0.737 1.00 0.00 C ATOM 511 C LEU A 33 74.909 -8.998 1.266 1.00 0.00 C ATOM 512 O LEU A 33 75.860 -8.607 0.620 1.00 0.00 O ATOM 513 CB LEU A 33 72.710 -7.797 1.470 1.00 0.00 C ATOM 514 CG LEU A 33 71.434 -7.474 0.690 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.457 -6.723 1.597 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.781 -6.600 -0.517 1.00 0.00 C ATOM 0 H LEU A 33 72.084 -10.089 1.797 1.00 0.00 H new ATOM 0 HA LEU A 33 73.537 -8.678 -0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.460 -8.126 2.479 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.325 -6.903 1.570 1.00 0.00 H new ATOM 0 HG LEU A 33 70.974 -8.401 0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.548 -6.493 1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.209 -7.344 2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.917 -5.796 1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.872 -6.370 -1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 33 72.242 -5.673 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 33 72.477 -7.133 -1.164 1.00 0.00 H new ATOM 528 N LYS A 34 75.063 -9.556 2.434 1.00 0.00 N ATOM 529 CA LYS A 34 76.425 -9.716 2.989 1.00 0.00 C ATOM 530 C LYS A 34 77.150 -10.799 2.200 1.00 0.00 C ATOM 531 O LYS A 34 78.363 -10.854 2.152 1.00 0.00 O ATOM 532 CB LYS A 34 76.229 -10.132 4.447 1.00 0.00 C ATOM 533 CG LYS A 34 77.348 -9.537 5.304 1.00 0.00 C ATOM 534 CD LYS A 34 77.005 -9.710 6.784 1.00 0.00 C ATOM 535 CE LYS A 34 76.874 -11.201 7.108 1.00 0.00 C ATOM 536 NZ LYS A 34 76.261 -11.246 8.465 1.00 0.00 N ATOM 0 H LYS A 34 74.306 -9.905 3.022 1.00 0.00 H new ATOM 0 HA LYS A 34 77.021 -8.806 2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 34 75.259 -9.788 4.807 1.00 0.00 H new ATOM 0 HB3 LYS A 34 76.232 -11.219 4.529 1.00 0.00 H new ATOM 0 HG2 LYS A 34 78.294 -10.030 5.079 1.00 0.00 H new ATOM 0 HG3 LYS A 34 77.476 -8.480 5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 34 77.781 -9.259 7.403 1.00 0.00 H new ATOM 0 HD3 LYS A 34 76.073 -9.194 7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 34 76.249 -11.711 6.375 1.00 0.00 H new ATOM 0 HE3 LYS A 34 77.846 -11.695 7.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 76.384 -12.196 8.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 76.724 -10.545 9.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 75.246 -11.029 8.395 1.00 0.00 H new ATOM 550 N GLU A 35 76.398 -11.646 1.564 1.00 0.00 N ATOM 551 CA GLU A 35 77.002 -12.725 0.746 1.00 0.00 C ATOM 552 C GLU A 35 77.248 -12.201 -0.669 1.00 0.00 C ATOM 553 O GLU A 35 78.101 -12.686 -1.385 1.00 0.00 O ATOM 554 CB GLU A 35 75.967 -13.850 0.737 1.00 0.00 C ATOM 555 CG GLU A 35 76.667 -15.186 0.483 1.00 0.00 C ATOM 556 CD GLU A 35 75.777 -16.331 0.974 1.00 0.00 C ATOM 557 OE1 GLU A 35 74.771 -16.588 0.334 1.00 0.00 O ATOM 558 OE2 GLU A 35 76.117 -16.929 1.981 1.00 0.00 O ATOM 0 H GLU A 35 75.378 -11.636 1.577 1.00 0.00 H new ATOM 0 HA GLU A 35 77.958 -13.071 1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.438 -13.880 1.690 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.221 -13.666 -0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 35 76.875 -15.303 -0.581 1.00 0.00 H new ATOM 0 HG3 GLU A 35 77.626 -15.210 1.000 1.00 0.00 H new ATOM 565 N VAL A 36 76.507 -11.200 -1.069 1.00 0.00 N ATOM 566 CA VAL A 36 76.700 -10.628 -2.427 1.00 0.00 C ATOM 567 C VAL A 36 77.862 -9.641 -2.394 1.00 0.00 C ATOM 568 O VAL A 36 78.675 -9.592 -3.296 1.00 0.00 O ATOM 569 CB VAL A 36 75.389 -9.907 -2.746 1.00 0.00 C ATOM 570 CG1 VAL A 36 75.607 -8.936 -3.908 1.00 0.00 C ATOM 571 CG2 VAL A 36 74.325 -10.935 -3.136 1.00 0.00 C ATOM 0 H VAL A 36 75.777 -10.757 -0.511 1.00 0.00 H new ATOM 0 HA VAL A 36 76.932 -11.385 -3.177 1.00 0.00 H new ATOM 0 HB VAL A 36 75.058 -9.353 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.672 -8.423 -4.134 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.365 -8.203 -3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 36 75.939 -9.489 -4.787 1.00 0.00 H new ATOM 0 HG21 VAL A 36 73.390 -10.423 -3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 36 74.658 -11.489 -4.014 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.167 -11.627 -2.309 1.00 0.00 H new ATOM 581 N PHE A 37 77.950 -8.854 -1.357 1.00 0.00 N ATOM 582 CA PHE A 37 79.056 -7.878 -1.263 1.00 0.00 C ATOM 583 C PHE A 37 80.302 -8.553 -0.686 1.00 0.00 C ATOM 584 O PHE A 37 81.413 -8.284 -1.095 1.00 0.00 O ATOM 585 CB PHE A 37 78.523 -6.795 -0.329 1.00 0.00 C ATOM 586 CG PHE A 37 77.236 -6.246 -0.892 1.00 0.00 C ATOM 587 CD1 PHE A 37 77.178 -5.824 -2.225 1.00 0.00 C ATOM 588 CD2 PHE A 37 76.099 -6.162 -0.081 1.00 0.00 C ATOM 589 CE1 PHE A 37 75.983 -5.318 -2.747 1.00 0.00 C ATOM 590 CE2 PHE A 37 74.904 -5.658 -0.603 1.00 0.00 C ATOM 591 CZ PHE A 37 74.846 -5.235 -1.937 1.00 0.00 C ATOM 0 H PHE A 37 77.299 -8.850 -0.572 1.00 0.00 H new ATOM 0 HA PHE A 37 79.352 -7.469 -2.229 1.00 0.00 H new ATOM 0 HB2 PHE A 37 78.353 -7.207 0.666 1.00 0.00 H new ATOM 0 HB3 PHE A 37 79.257 -5.997 -0.222 1.00 0.00 H new ATOM 0 HD1 PHE A 37 78.056 -5.889 -2.851 1.00 0.00 H new ATOM 0 HD2 PHE A 37 76.144 -6.486 0.948 1.00 0.00 H new ATOM 0 HE1 PHE A 37 75.938 -4.991 -3.775 1.00 0.00 H new ATOM 0 HE2 PHE A 37 74.026 -5.595 0.022 1.00 0.00 H new ATOM 0 HZ PHE A 37 73.923 -4.845 -2.340 1.00 0.00 H new ATOM 601 N GLU A 38 80.110 -9.437 0.253 1.00 0.00 N ATOM 602 CA GLU A 38 81.262 -10.162 0.872 1.00 0.00 C ATOM 603 C GLU A 38 82.482 -9.245 1.000 1.00 0.00 C ATOM 604 O GLU A 38 83.612 -9.688 0.950 1.00 0.00 O ATOM 605 CB GLU A 38 81.562 -11.318 -0.083 1.00 0.00 C ATOM 606 CG GLU A 38 82.202 -12.470 0.695 1.00 0.00 C ATOM 607 CD GLU A 38 81.441 -13.765 0.407 1.00 0.00 C ATOM 608 OE1 GLU A 38 81.106 -13.989 -0.744 1.00 0.00 O ATOM 609 OE2 GLU A 38 81.205 -14.512 1.343 1.00 0.00 O ATOM 0 H GLU A 38 79.195 -9.693 0.624 1.00 0.00 H new ATOM 0 HA GLU A 38 81.028 -10.507 1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 38 80.643 -11.655 -0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.231 -10.984 -0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 38 83.248 -12.579 0.409 1.00 0.00 H new ATOM 0 HG3 GLU A 38 82.184 -12.255 1.764 1.00 0.00 H new ATOM 616 N ASP A 39 82.263 -7.971 1.161 1.00 0.00 N ATOM 617 CA ASP A 39 83.413 -7.029 1.288 1.00 0.00 C ATOM 618 C ASP A 39 83.027 -5.836 2.162 1.00 0.00 C ATOM 619 O ASP A 39 83.832 -5.319 2.912 1.00 0.00 O ATOM 620 CB ASP A 39 83.709 -6.572 -0.140 1.00 0.00 C ATOM 621 CG ASP A 39 85.199 -6.250 -0.274 1.00 0.00 C ATOM 622 OD1 ASP A 39 85.688 -5.462 0.518 1.00 0.00 O ATOM 623 OD2 ASP A 39 85.825 -6.797 -1.168 1.00 0.00 O ATOM 0 H ASP A 39 81.340 -7.540 1.210 1.00 0.00 H new ATOM 0 HA ASP A 39 84.279 -7.497 1.755 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.429 -7.352 -0.848 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.113 -5.692 -0.383 1.00 0.00 H new ATOM 628 N ALA A 40 81.807 -5.391 2.071 1.00 0.00 N ATOM 629 CA ALA A 40 81.381 -4.228 2.895 1.00 0.00 C ATOM 630 C ALA A 40 81.378 -4.600 4.382 1.00 0.00 C ATOM 631 O ALA A 40 81.649 -5.726 4.750 1.00 0.00 O ATOM 632 CB ALA A 40 79.966 -3.901 2.418 1.00 0.00 C ATOM 0 H ALA A 40 81.087 -5.781 1.463 1.00 0.00 H new ATOM 0 HA ALA A 40 82.054 -3.377 2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.580 -3.050 2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 40 79.988 -3.655 1.356 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.320 -4.764 2.577 1.00 0.00 H new ATOM 638 N LEU A 41 81.072 -3.662 5.237 1.00 0.00 N ATOM 639 CA LEU A 41 81.050 -3.956 6.691 1.00 0.00 C ATOM 640 C LEU A 41 79.736 -4.642 7.063 1.00 0.00 C ATOM 641 O LEU A 41 79.719 -5.671 7.708 1.00 0.00 O ATOM 642 CB LEU A 41 81.148 -2.593 7.380 1.00 0.00 C ATOM 643 CG LEU A 41 82.305 -1.792 6.782 1.00 0.00 C ATOM 644 CD1 LEU A 41 82.118 -0.309 7.109 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.624 -2.283 7.380 1.00 0.00 C ATOM 0 H LEU A 41 80.836 -2.702 4.986 1.00 0.00 H new ATOM 0 HA LEU A 41 81.861 -4.621 6.988 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.213 -2.046 7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 41 81.302 -2.727 8.451 1.00 0.00 H new ATOM 0 HG LEU A 41 82.323 -1.927 5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.942 0.264 6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.176 0.041 6.686 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.103 -0.174 8.190 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.451 -1.713 6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 41 83.607 -2.146 8.461 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.756 -3.340 7.151 1.00 0.00 H new ATOM 657 N GLU A 42 78.636 -4.072 6.661 1.00 0.00 N ATOM 658 CA GLU A 42 77.316 -4.682 6.989 1.00 0.00 C ATOM 659 C GLU A 42 76.241 -4.166 6.032 1.00 0.00 C ATOM 660 O GLU A 42 76.418 -3.173 5.354 1.00 0.00 O ATOM 661 CB GLU A 42 77.019 -4.238 8.421 1.00 0.00 C ATOM 662 CG GLU A 42 77.837 -5.083 9.399 1.00 0.00 C ATOM 663 CD GLU A 42 77.033 -5.300 10.682 1.00 0.00 C ATOM 664 OE1 GLU A 42 75.927 -4.791 10.758 1.00 0.00 O ATOM 665 OE2 GLU A 42 77.538 -5.972 11.567 1.00 0.00 O ATOM 0 H GLU A 42 78.592 -3.209 6.119 1.00 0.00 H new ATOM 0 HA GLU A 42 77.328 -5.768 6.894 1.00 0.00 H new ATOM 0 HB2 GLU A 42 77.263 -3.183 8.544 1.00 0.00 H new ATOM 0 HB3 GLU A 42 75.955 -4.346 8.633 1.00 0.00 H new ATOM 0 HG2 GLU A 42 78.086 -6.043 8.947 1.00 0.00 H new ATOM 0 HG3 GLU A 42 78.779 -4.584 9.627 1.00 0.00 H new ATOM 672 N ILE A 43 75.125 -4.836 5.974 1.00 0.00 N ATOM 673 CA ILE A 43 74.035 -4.389 5.064 1.00 0.00 C ATOM 674 C ILE A 43 72.714 -4.296 5.826 1.00 0.00 C ATOM 675 O ILE A 43 72.440 -5.076 6.717 1.00 0.00 O ATOM 676 CB ILE A 43 73.948 -5.465 3.986 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.257 -5.504 3.196 1.00 0.00 C ATOM 678 CG2 ILE A 43 72.790 -5.145 3.040 1.00 0.00 C ATOM 679 CD1 ILE A 43 76.079 -6.720 3.628 1.00 0.00 C ATOM 0 H ILE A 43 74.920 -5.674 6.518 1.00 0.00 H new ATOM 0 HA ILE A 43 74.233 -3.403 4.643 1.00 0.00 H new ATOM 0 HB ILE A 43 73.778 -6.435 4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 43 75.048 -5.554 2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 43 75.824 -4.589 3.367 1.00 0.00 H new ATOM 0 HG21 ILE A 43 72.727 -5.913 2.269 1.00 0.00 H new ATOM 0 HG22 ILE A 43 71.857 -5.118 3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 43 72.960 -4.175 2.572 1.00 0.00 H new ATOM 0 HD11 ILE A 43 77.012 -6.747 3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 43 76.300 -6.650 4.693 1.00 0.00 H new ATOM 0 HD13 ILE A 43 75.511 -7.630 3.434 1.00 0.00 H new ATOM 691 N ARG A 44 71.893 -3.352 5.475 1.00 0.00 N ATOM 692 CA ARG A 44 70.589 -3.198 6.157 1.00 0.00 C ATOM 693 C ARG A 44 69.473 -3.320 5.111 1.00 0.00 C ATOM 694 O ARG A 44 69.703 -3.143 3.931 1.00 0.00 O ATOM 695 CB ARG A 44 70.655 -1.793 6.774 1.00 0.00 C ATOM 696 CG ARG A 44 69.270 -1.149 6.774 1.00 0.00 C ATOM 697 CD ARG A 44 69.154 -0.176 7.950 1.00 0.00 C ATOM 698 NE ARG A 44 69.500 1.158 7.384 1.00 0.00 N ATOM 699 CZ ARG A 44 68.724 2.183 7.609 1.00 0.00 C ATOM 700 NH1 ARG A 44 67.443 2.095 7.373 1.00 0.00 N ATOM 701 NH2 ARG A 44 69.228 3.294 8.069 1.00 0.00 N ATOM 0 H ARG A 44 72.074 -2.674 4.735 1.00 0.00 H new ATOM 0 HA ARG A 44 70.386 -3.950 6.919 1.00 0.00 H new ATOM 0 HB2 ARG A 44 71.035 -1.854 7.794 1.00 0.00 H new ATOM 0 HB3 ARG A 44 71.352 -1.173 6.210 1.00 0.00 H new ATOM 0 HG2 ARG A 44 69.104 -0.621 5.835 1.00 0.00 H new ATOM 0 HG3 ARG A 44 68.501 -1.918 6.848 1.00 0.00 H new ATOM 0 HD2 ARG A 44 68.147 -0.179 8.366 1.00 0.00 H new ATOM 0 HD3 ARG A 44 69.833 -0.450 8.757 1.00 0.00 H new ATOM 0 HE ARG A 44 70.343 1.270 6.821 1.00 0.00 H new ATOM 0 HH11 ARG A 44 67.049 1.226 7.013 1.00 0.00 H new ATOM 0 HH12 ARG A 44 66.836 2.896 7.549 1.00 0.00 H new ATOM 0 HH21 ARG A 44 70.229 3.362 8.253 1.00 0.00 H new ATOM 0 HH22 ARG A 44 68.621 4.095 8.245 1.00 0.00 H new ATOM 715 N LEU A 45 68.275 -3.623 5.523 1.00 0.00 N ATOM 716 CA LEU A 45 67.173 -3.757 4.533 1.00 0.00 C ATOM 717 C LEU A 45 66.268 -2.531 4.583 1.00 0.00 C ATOM 718 O LEU A 45 66.312 -1.750 5.514 1.00 0.00 O ATOM 719 CB LEU A 45 66.405 -5.010 4.951 1.00 0.00 C ATOM 720 CG LEU A 45 65.519 -5.470 3.792 1.00 0.00 C ATOM 721 CD1 LEU A 45 66.362 -5.593 2.521 1.00 0.00 C ATOM 722 CD2 LEU A 45 64.909 -6.829 4.129 1.00 0.00 C ATOM 0 H LEU A 45 68.012 -3.783 6.496 1.00 0.00 H new ATOM 0 HA LEU A 45 67.546 -3.835 3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 45 67.101 -5.802 5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.795 -4.800 5.829 1.00 0.00 H new ATOM 0 HG LEU A 45 64.724 -4.742 3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.730 -5.921 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 45 66.800 -4.625 2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 45 67.157 -6.321 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 45 64.277 -7.159 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 45 65.705 -7.556 4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 45 64.308 -6.744 5.035 1.00 0.00 H new ATOM 734 N VAL A 46 65.453 -2.350 3.584 1.00 0.00 N ATOM 735 CA VAL A 46 64.553 -1.168 3.569 1.00 0.00 C ATOM 736 C VAL A 46 63.315 -1.441 2.707 1.00 0.00 C ATOM 737 O VAL A 46 63.406 -1.890 1.570 1.00 0.00 O ATOM 738 CB VAL A 46 65.399 -0.044 2.978 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.552 1.223 2.862 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.595 0.222 3.896 1.00 0.00 C ATOM 0 H VAL A 46 65.372 -2.970 2.778 1.00 0.00 H new ATOM 0 HA VAL A 46 64.180 -0.917 4.562 1.00 0.00 H new ATOM 0 HB VAL A 46 65.754 -0.333 1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.155 2.027 2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.698 1.031 2.213 1.00 0.00 H new ATOM 0 HG13 VAL A 46 64.198 1.516 3.850 1.00 0.00 H new ATOM 0 HG21 VAL A 46 67.203 1.024 3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 46 66.238 0.514 4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.197 -0.683 3.981 1.00 0.00 H new ATOM 750 N SER A 47 62.158 -1.173 3.257 1.00 0.00 N ATOM 751 CA SER A 47 60.886 -1.405 2.518 1.00 0.00 C ATOM 752 C SER A 47 60.016 -0.145 2.563 1.00 0.00 C ATOM 753 O SER A 47 60.507 0.956 2.705 1.00 0.00 O ATOM 754 CB SER A 47 60.208 -2.548 3.268 1.00 0.00 C ATOM 755 OG SER A 47 59.737 -2.072 4.522 1.00 0.00 O ATOM 0 H SER A 47 62.042 -0.799 4.199 1.00 0.00 H new ATOM 0 HA SER A 47 61.049 -1.642 1.467 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.379 -2.942 2.681 1.00 0.00 H new ATOM 0 HB3 SER A 47 60.911 -3.368 3.418 1.00 0.00 H new ATOM 0 HG SER A 47 59.299 -2.803 5.006 1.00 0.00 H new ATOM 819 N SER A 52 57.879 -4.856 2.454 1.00 0.00 N ATOM 820 CA SER A 52 59.141 -5.006 1.672 1.00 0.00 C ATOM 821 C SER A 52 59.042 -4.282 0.329 1.00 0.00 C ATOM 822 O SER A 52 58.120 -4.486 -0.437 1.00 0.00 O ATOM 823 CB SER A 52 59.301 -6.508 1.466 1.00 0.00 C ATOM 824 OG SER A 52 59.493 -6.783 0.083 1.00 0.00 O ATOM 0 HA SER A 52 59.995 -4.570 2.191 1.00 0.00 H new ATOM 0 HB2 SER A 52 60.151 -6.876 2.041 1.00 0.00 H new ATOM 0 HB3 SER A 52 58.418 -7.031 1.832 1.00 0.00 H new ATOM 0 HG SER A 52 58.702 -7.240 -0.273 1.00 0.00 H new ATOM 830 N LYS A 53 59.995 -3.446 0.043 1.00 0.00 N ATOM 831 CA LYS A 53 59.982 -2.705 -1.249 1.00 0.00 C ATOM 832 C LYS A 53 61.187 -3.128 -2.084 1.00 0.00 C ATOM 833 O LYS A 53 61.243 -2.907 -3.278 1.00 0.00 O ATOM 834 CB LYS A 53 60.082 -1.226 -0.868 1.00 0.00 C ATOM 835 CG LYS A 53 60.209 -0.379 -2.137 1.00 0.00 C ATOM 836 CD LYS A 53 59.295 0.843 -2.030 1.00 0.00 C ATOM 837 CE LYS A 53 59.291 1.598 -3.361 1.00 0.00 C ATOM 838 NZ LYS A 53 60.457 2.522 -3.282 1.00 0.00 N ATOM 0 H LYS A 53 60.788 -3.241 0.651 1.00 0.00 H new ATOM 0 HA LYS A 53 59.087 -2.904 -1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.200 -0.924 -0.304 1.00 0.00 H new ATOM 0 HB3 LYS A 53 60.945 -1.064 -0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 53 61.243 -0.062 -2.273 1.00 0.00 H new ATOM 0 HG3 LYS A 53 59.940 -0.972 -3.011 1.00 0.00 H new ATOM 0 HD2 LYS A 53 58.282 0.531 -1.774 1.00 0.00 H new ATOM 0 HD3 LYS A 53 59.639 1.498 -1.230 1.00 0.00 H new ATOM 0 HE2 LYS A 53 59.386 0.913 -4.204 1.00 0.00 H new ATOM 0 HE3 LYS A 53 58.360 2.148 -3.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 60.521 3.076 -4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 60.335 3.166 -2.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 61.329 1.970 -3.156 1.00 0.00 H new ATOM 852 N GLY A 54 62.150 -3.746 -1.459 1.00 0.00 N ATOM 853 CA GLY A 54 63.352 -4.197 -2.205 1.00 0.00 C ATOM 854 C GLY A 54 64.490 -3.193 -2.016 1.00 0.00 C ATOM 855 O GLY A 54 65.341 -3.049 -2.870 1.00 0.00 O ATOM 0 H GLY A 54 62.154 -3.958 -0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.661 -5.181 -1.852 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.116 -4.298 -3.264 1.00 0.00 H new ATOM 859 N ILE A 55 64.527 -2.497 -0.908 1.00 0.00 N ATOM 860 CA ILE A 55 65.631 -1.517 -0.698 1.00 0.00 C ATOM 861 C ILE A 55 66.484 -1.959 0.492 1.00 0.00 C ATOM 862 O ILE A 55 66.062 -2.759 1.299 1.00 0.00 O ATOM 863 CB ILE A 55 64.937 -0.182 -0.413 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.757 0.003 -1.372 1.00 0.00 C ATOM 865 CG2 ILE A 55 65.934 0.959 -0.617 1.00 0.00 C ATOM 866 CD1 ILE A 55 64.281 0.193 -2.797 1.00 0.00 C ATOM 0 H ILE A 55 63.849 -2.564 -0.149 1.00 0.00 H new ATOM 0 HA ILE A 55 66.296 -1.439 -1.558 1.00 0.00 H new ATOM 0 HB ILE A 55 64.573 -0.177 0.614 1.00 0.00 H new ATOM 0 HG12 ILE A 55 63.099 -0.865 -1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 55 63.164 0.867 -1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.444 1.911 -0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.776 0.833 0.064 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.295 0.948 -1.646 1.00 0.00 H new ATOM 0 HD11 ILE A 55 63.441 0.325 -3.479 1.00 0.00 H new ATOM 0 HD12 ILE A 55 64.921 1.075 -2.835 1.00 0.00 H new ATOM 0 HD13 ILE A 55 64.855 -0.685 -3.094 1.00 0.00 H new ATOM 878 N ALA A 56 67.683 -1.456 0.607 1.00 0.00 N ATOM 879 CA ALA A 56 68.551 -1.865 1.748 1.00 0.00 C ATOM 880 C ALA A 56 69.726 -0.894 1.892 1.00 0.00 C ATOM 881 O ALA A 56 70.186 -0.318 0.928 1.00 0.00 O ATOM 882 CB ALA A 56 69.056 -3.260 1.374 1.00 0.00 C ATOM 0 H ALA A 56 68.098 -0.782 -0.037 1.00 0.00 H new ATOM 0 HA ALA A 56 68.016 -1.862 2.698 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.705 -3.636 2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.208 -3.933 1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.615 -3.206 0.440 1.00 0.00 H new ATOM 888 N TYR A 57 70.226 -0.718 3.084 1.00 0.00 N ATOM 889 CA TYR A 57 71.380 0.207 3.274 1.00 0.00 C ATOM 890 C TYR A 57 72.667 -0.610 3.392 1.00 0.00 C ATOM 891 O TYR A 57 72.786 -1.476 4.233 1.00 0.00 O ATOM 892 CB TYR A 57 71.096 0.955 4.576 1.00 0.00 C ATOM 893 CG TYR A 57 70.172 2.116 4.296 1.00 0.00 C ATOM 894 CD1 TYR A 57 70.621 3.198 3.530 1.00 0.00 C ATOM 895 CD2 TYR A 57 68.868 2.112 4.805 1.00 0.00 C ATOM 896 CE1 TYR A 57 69.766 4.276 3.272 1.00 0.00 C ATOM 897 CE2 TYR A 57 68.013 3.191 4.547 1.00 0.00 C ATOM 898 CZ TYR A 57 68.462 4.272 3.781 1.00 0.00 C ATOM 899 OH TYR A 57 67.618 5.336 3.527 1.00 0.00 O ATOM 0 H TYR A 57 69.887 -1.172 3.932 1.00 0.00 H new ATOM 0 HA TYR A 57 71.503 0.899 2.440 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.642 0.282 5.303 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.028 1.315 5.012 1.00 0.00 H new ATOM 0 HD1 TYR A 57 71.627 3.201 3.138 1.00 0.00 H new ATOM 0 HD2 TYR A 57 68.521 1.277 5.396 1.00 0.00 H new ATOM 0 HE1 TYR A 57 70.112 5.111 2.680 1.00 0.00 H new ATOM 0 HE2 TYR A 57 67.007 3.188 4.940 1.00 0.00 H new ATOM 0 HH TYR A 57 66.750 5.174 3.952 1.00 0.00 H new ATOM 909 N ILE A 58 73.624 -0.355 2.548 1.00 0.00 N ATOM 910 CA ILE A 58 74.890 -1.141 2.612 1.00 0.00 C ATOM 911 C ILE A 58 76.061 -0.234 2.998 1.00 0.00 C ATOM 912 O ILE A 58 76.310 0.778 2.371 1.00 0.00 O ATOM 913 CB ILE A 58 75.090 -1.712 1.201 1.00 0.00 C ATOM 914 CG1 ILE A 58 73.731 -2.029 0.564 1.00 0.00 C ATOM 915 CG2 ILE A 58 75.914 -2.997 1.289 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.931 -2.905 -0.676 1.00 0.00 C ATOM 0 H ILE A 58 73.588 0.358 1.820 1.00 0.00 H new ATOM 0 HA ILE A 58 74.841 -1.931 3.362 1.00 0.00 H new ATOM 0 HB ILE A 58 75.611 -0.976 0.589 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.093 -2.542 1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 58 73.223 -1.104 0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.058 -3.406 0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 58 76.884 -2.777 1.735 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.388 -3.725 1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.963 -3.127 -1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 58 74.553 -2.376 -1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 58 74.420 -3.836 -0.389 1.00 0.00 H new ATOM 928 N GLU A 59 76.787 -0.595 4.021 1.00 0.00 N ATOM 929 CA GLU A 59 77.948 0.238 4.446 1.00 0.00 C ATOM 930 C GLU A 59 79.241 -0.560 4.264 1.00 0.00 C ATOM 931 O GLU A 59 79.471 -1.548 4.934 1.00 0.00 O ATOM 932 CB GLU A 59 77.713 0.573 5.928 1.00 0.00 C ATOM 933 CG GLU A 59 76.948 -0.558 6.627 1.00 0.00 C ATOM 934 CD GLU A 59 75.454 -0.428 6.325 1.00 0.00 C ATOM 935 OE1 GLU A 59 75.021 0.678 6.046 1.00 0.00 O ATOM 936 OE2 GLU A 59 74.768 -1.435 6.379 1.00 0.00 O ATOM 0 H GLU A 59 76.626 -1.432 4.581 1.00 0.00 H new ATOM 0 HA GLU A 59 78.040 1.149 3.855 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.670 0.733 6.426 1.00 0.00 H new ATOM 0 HB3 GLU A 59 77.151 1.503 6.011 1.00 0.00 H new ATOM 0 HG2 GLU A 59 77.316 -1.525 6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 59 77.117 -0.515 7.703 1.00 0.00 H new ATOM 943 N PHE A 60 80.077 -0.151 3.350 1.00 0.00 N ATOM 944 CA PHE A 60 81.344 -0.898 3.115 1.00 0.00 C ATOM 945 C PHE A 60 82.472 -0.347 3.983 1.00 0.00 C ATOM 946 O PHE A 60 82.302 0.607 4.716 1.00 0.00 O ATOM 947 CB PHE A 60 81.663 -0.698 1.635 1.00 0.00 C ATOM 948 CG PHE A 60 80.631 -1.413 0.796 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.316 -0.937 0.745 1.00 0.00 C ATOM 950 CD2 PHE A 60 80.990 -2.555 0.069 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.360 -1.602 -0.033 1.00 0.00 C ATOM 952 CE2 PHE A 60 80.034 -3.219 -0.709 1.00 0.00 C ATOM 953 CZ PHE A 60 78.719 -2.743 -0.760 1.00 0.00 C ATOM 0 H PHE A 60 79.938 0.667 2.757 1.00 0.00 H new ATOM 0 HA PHE A 60 81.241 -1.952 3.372 1.00 0.00 H new ATOM 0 HB2 PHE A 60 81.670 0.365 1.394 1.00 0.00 H new ATOM 0 HB3 PHE A 60 82.658 -1.082 1.411 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.038 -0.057 1.306 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.004 -2.923 0.109 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.345 -1.234 -0.072 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.312 -4.099 -1.270 1.00 0.00 H new ATOM 0 HZ PHE A 60 77.982 -3.256 -1.360 1.00 0.00 H new ATOM 963 N LYS A 61 83.627 -0.946 3.901 1.00 0.00 N ATOM 964 CA LYS A 61 84.778 -0.467 4.716 1.00 0.00 C ATOM 965 C LYS A 61 85.410 0.762 4.060 1.00 0.00 C ATOM 966 O LYS A 61 86.132 1.511 4.687 1.00 0.00 O ATOM 967 CB LYS A 61 85.764 -1.634 4.735 1.00 0.00 C ATOM 968 CG LYS A 61 86.696 -1.496 5.940 1.00 0.00 C ATOM 969 CD LYS A 61 87.871 -2.466 5.791 1.00 0.00 C ATOM 970 CE LYS A 61 89.166 -1.673 5.598 1.00 0.00 C ATOM 971 NZ LYS A 61 89.577 -1.945 4.192 1.00 0.00 N ATOM 0 H LYS A 61 83.824 -1.749 3.303 1.00 0.00 H new ATOM 0 HA LYS A 61 84.480 -0.173 5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.224 -2.579 4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.345 -1.648 3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 61 87.063 -0.472 6.014 1.00 0.00 H new ATOM 0 HG3 LYS A 61 86.151 -1.707 6.860 1.00 0.00 H new ATOM 0 HD2 LYS A 61 87.948 -3.099 6.675 1.00 0.00 H new ATOM 0 HD3 LYS A 61 87.706 -3.126 4.939 1.00 0.00 H new ATOM 0 HE2 LYS A 61 89.005 -0.608 5.763 1.00 0.00 H new ATOM 0 HE3 LYS A 61 89.934 -1.993 6.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 90.459 -1.435 3.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 89.729 -2.966 4.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 88.830 -1.624 3.544 1.00 0.00 H new ATOM 985 N SER A 62 85.144 0.972 2.801 1.00 0.00 N ATOM 986 CA SER A 62 85.729 2.152 2.104 1.00 0.00 C ATOM 987 C SER A 62 84.995 2.408 0.784 1.00 0.00 C ATOM 988 O SER A 62 84.372 1.524 0.223 1.00 0.00 O ATOM 989 CB SER A 62 87.188 1.780 1.839 1.00 0.00 C ATOM 990 OG SER A 62 87.537 0.646 2.624 1.00 0.00 O ATOM 0 H SER A 62 84.547 0.378 2.225 1.00 0.00 H new ATOM 0 HA SER A 62 85.642 3.062 2.698 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.333 1.562 0.781 1.00 0.00 H new ATOM 0 HB3 SER A 62 87.839 2.619 2.083 1.00 0.00 H new ATOM 0 HG SER A 62 88.472 0.406 2.454 1.00 0.00 H new ATOM 996 N GLU A 63 85.069 3.611 0.283 1.00 0.00 N ATOM 997 CA GLU A 63 84.383 3.924 -1.001 1.00 0.00 C ATOM 998 C GLU A 63 84.808 2.922 -2.075 1.00 0.00 C ATOM 999 O GLU A 63 84.018 2.506 -2.898 1.00 0.00 O ATOM 1000 CB GLU A 63 84.849 5.334 -1.365 1.00 0.00 C ATOM 1001 CG GLU A 63 84.490 5.632 -2.823 1.00 0.00 C ATOM 1002 CD GLU A 63 85.081 6.984 -3.227 1.00 0.00 C ATOM 1003 OE1 GLU A 63 86.282 7.146 -3.097 1.00 0.00 O ATOM 1004 OE2 GLU A 63 84.320 7.834 -3.661 1.00 0.00 O ATOM 0 H GLU A 63 85.574 4.389 0.707 1.00 0.00 H new ATOM 0 HA GLU A 63 83.298 3.865 -0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 63 84.378 6.065 -0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 63 85.926 5.421 -1.220 1.00 0.00 H new ATOM 0 HG2 GLU A 63 84.876 4.846 -3.472 1.00 0.00 H new ATOM 0 HG3 GLU A 63 83.407 5.645 -2.947 1.00 0.00 H new ATOM 1011 N ALA A 64 86.052 2.527 -2.069 1.00 0.00 N ATOM 1012 CA ALA A 64 86.523 1.552 -3.084 1.00 0.00 C ATOM 1013 C ALA A 64 85.780 0.230 -2.909 1.00 0.00 C ATOM 1014 O ALA A 64 85.393 -0.409 -3.867 1.00 0.00 O ATOM 1015 CB ALA A 64 88.018 1.376 -2.811 1.00 0.00 C ATOM 0 H ALA A 64 86.760 2.839 -1.404 1.00 0.00 H new ATOM 0 HA ALA A 64 86.342 1.890 -4.104 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.437 0.667 -3.525 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.522 2.337 -2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.161 0.999 -1.798 1.00 0.00 H new ATOM 1021 N ASP A 65 85.558 -0.177 -1.689 1.00 0.00 N ATOM 1022 CA ASP A 65 84.817 -1.446 -1.461 1.00 0.00 C ATOM 1023 C ASP A 65 83.378 -1.252 -1.929 1.00 0.00 C ATOM 1024 O ASP A 65 82.872 -1.987 -2.755 1.00 0.00 O ATOM 1025 CB ASP A 65 84.875 -1.679 0.049 1.00 0.00 C ATOM 1026 CG ASP A 65 84.324 -3.069 0.373 1.00 0.00 C ATOM 1027 OD1 ASP A 65 84.158 -3.849 -0.550 1.00 0.00 O ATOM 1028 OD2 ASP A 65 84.076 -3.328 1.540 1.00 0.00 O ATOM 0 H ASP A 65 85.857 0.313 -0.845 1.00 0.00 H new ATOM 0 HA ASP A 65 85.234 -2.295 -2.002 1.00 0.00 H new ATOM 0 HB2 ASP A 65 85.903 -1.592 0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.295 -0.916 0.568 1.00 0.00 H new ATOM 1033 N ALA A 66 82.724 -0.243 -1.421 1.00 0.00 N ATOM 1034 CA ALA A 66 81.324 0.027 -1.850 1.00 0.00 C ATOM 1035 C ALA A 66 81.302 0.338 -3.349 1.00 0.00 C ATOM 1036 O ALA A 66 80.437 -0.113 -4.078 1.00 0.00 O ATOM 1037 CB ALA A 66 80.895 1.252 -1.045 1.00 0.00 C ATOM 0 H ALA A 66 83.099 0.405 -0.728 1.00 0.00 H new ATOM 0 HA ALA A 66 80.660 -0.821 -1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 66 79.870 1.517 -1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 66 80.953 1.026 0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.555 2.088 -1.275 1.00 0.00 H new ATOM 1043 N GLU A 67 82.255 1.102 -3.817 1.00 0.00 N ATOM 1044 CA GLU A 67 82.297 1.441 -5.265 1.00 0.00 C ATOM 1045 C GLU A 67 82.687 0.206 -6.081 1.00 0.00 C ATOM 1046 O GLU A 67 82.104 -0.083 -7.108 1.00 0.00 O ATOM 1047 CB GLU A 67 83.369 2.525 -5.389 1.00 0.00 C ATOM 1048 CG GLU A 67 83.584 2.864 -6.865 1.00 0.00 C ATOM 1049 CD GLU A 67 85.033 3.300 -7.085 1.00 0.00 C ATOM 1050 OE1 GLU A 67 85.715 3.536 -6.101 1.00 0.00 O ATOM 1051 OE2 GLU A 67 85.437 3.389 -8.232 1.00 0.00 O ATOM 0 H GLU A 67 83.005 1.505 -3.256 1.00 0.00 H new ATOM 0 HA GLU A 67 81.331 1.780 -5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 67 83.065 3.417 -4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 67 84.303 2.181 -4.944 1.00 0.00 H new ATOM 0 HG2 GLU A 67 83.356 1.997 -7.485 1.00 0.00 H new ATOM 0 HG3 GLU A 67 82.904 3.660 -7.169 1.00 0.00 H new ATOM 1058 N LYS A 68 83.666 -0.530 -5.626 1.00 0.00 N ATOM 1059 CA LYS A 68 84.088 -1.749 -6.368 1.00 0.00 C ATOM 1060 C LYS A 68 82.915 -2.723 -6.456 1.00 0.00 C ATOM 1061 O LYS A 68 82.702 -3.366 -7.463 1.00 0.00 O ATOM 1062 CB LYS A 68 85.228 -2.348 -5.545 1.00 0.00 C ATOM 1063 CG LYS A 68 85.625 -3.705 -6.131 1.00 0.00 C ATOM 1064 CD LYS A 68 84.937 -4.823 -5.345 1.00 0.00 C ATOM 1065 CE LYS A 68 85.885 -6.019 -5.223 1.00 0.00 C ATOM 1066 NZ LYS A 68 85.863 -6.664 -6.564 1.00 0.00 N ATOM 0 H LYS A 68 84.190 -0.338 -4.772 1.00 0.00 H new ATOM 0 HA LYS A 68 84.406 -1.530 -7.387 1.00 0.00 H new ATOM 0 HB2 LYS A 68 86.085 -1.674 -5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 68 84.918 -2.465 -4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 68 85.340 -3.756 -7.182 1.00 0.00 H new ATOM 0 HG3 LYS A 68 86.707 -3.829 -6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 68 84.656 -4.466 -4.354 1.00 0.00 H new ATOM 0 HD3 LYS A 68 84.018 -5.124 -5.848 1.00 0.00 H new ATOM 0 HE2 LYS A 68 86.892 -5.699 -4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 68 85.553 -6.709 -4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 85.493 -7.632 -6.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 85.252 -6.116 -7.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 86.828 -6.695 -6.950 1.00 0.00 H new ATOM 1080 N ASN A 69 82.146 -2.826 -5.407 1.00 0.00 N ATOM 1081 CA ASN A 69 80.979 -3.747 -5.432 1.00 0.00 C ATOM 1082 C ASN A 69 79.909 -3.182 -6.366 1.00 0.00 C ATOM 1083 O ASN A 69 79.421 -3.858 -7.255 1.00 0.00 O ATOM 1084 CB ASN A 69 80.479 -3.779 -3.989 1.00 0.00 C ATOM 1085 CG ASN A 69 81.001 -5.039 -3.298 1.00 0.00 C ATOM 1086 OD1 ASN A 69 80.370 -6.075 -3.342 1.00 0.00 O ATOM 1087 ND2 ASN A 69 82.138 -4.993 -2.660 1.00 0.00 N ATOM 0 H ASN A 69 82.276 -2.312 -4.536 1.00 0.00 H new ATOM 0 HA ASN A 69 81.229 -4.745 -5.793 1.00 0.00 H new ATOM 0 HB2 ASN A 69 80.818 -2.891 -3.455 1.00 0.00 H new ATOM 0 HB3 ASN A 69 79.389 -3.765 -3.970 1.00 0.00 H new ATOM 0 HD21 ASN A 69 82.497 -5.828 -2.198 1.00 0.00 H new ATOM 0 HD22 ASN A 69 82.668 -4.122 -2.624 1.00 0.00 H new ATOM 1094 N LEU A 70 79.553 -1.939 -6.177 1.00 0.00 N ATOM 1095 CA LEU A 70 78.526 -1.316 -7.058 1.00 0.00 C ATOM 1096 C LEU A 70 78.903 -1.544 -8.519 1.00 0.00 C ATOM 1097 O LEU A 70 78.080 -1.899 -9.340 1.00 0.00 O ATOM 1098 CB LEU A 70 78.560 0.175 -6.717 1.00 0.00 C ATOM 1099 CG LEU A 70 77.861 0.969 -7.822 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.385 0.572 -7.878 1.00 0.00 C ATOM 1101 CD2 LEU A 70 77.975 2.466 -7.523 1.00 0.00 C ATOM 0 H LEU A 70 79.929 -1.330 -5.451 1.00 0.00 H new ATOM 0 HA LEU A 70 77.532 -1.738 -6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 70 78.067 0.351 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.591 0.511 -6.611 1.00 0.00 H new ATOM 0 HG LEU A 70 78.333 0.752 -8.780 1.00 0.00 H new ATOM 0 HD11 LEU A 70 75.886 1.137 -8.665 1.00 0.00 H new ATOM 0 HD12 LEU A 70 76.303 -0.494 -8.089 1.00 0.00 H new ATOM 0 HD13 LEU A 70 75.913 0.790 -6.920 1.00 0.00 H new ATOM 0 HD21 LEU A 70 77.477 3.033 -8.310 1.00 0.00 H new ATOM 0 HD22 LEU A 70 77.502 2.683 -6.565 1.00 0.00 H new ATOM 0 HD23 LEU A 70 79.027 2.750 -7.481 1.00 0.00 H new ATOM 1113 N GLU A 71 80.148 -1.354 -8.845 1.00 0.00 N ATOM 1114 CA GLU A 71 80.598 -1.568 -10.245 1.00 0.00 C ATOM 1115 C GLU A 71 80.839 -3.064 -10.476 1.00 0.00 C ATOM 1116 O GLU A 71 80.558 -3.594 -11.533 1.00 0.00 O ATOM 1117 CB GLU A 71 81.898 -0.765 -10.354 1.00 0.00 C ATOM 1118 CG GLU A 71 82.799 -1.359 -11.438 1.00 0.00 C ATOM 1119 CD GLU A 71 82.148 -1.164 -12.809 1.00 0.00 C ATOM 1120 OE1 GLU A 71 81.767 -0.045 -13.109 1.00 0.00 O ATOM 1121 OE2 GLU A 71 82.043 -2.139 -13.536 1.00 0.00 O ATOM 0 H GLU A 71 80.878 -1.058 -8.197 1.00 0.00 H new ATOM 0 HA GLU A 71 79.870 -1.249 -10.991 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.672 0.275 -10.589 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.418 -0.770 -9.396 1.00 0.00 H new ATOM 0 HG2 GLU A 71 83.777 -0.878 -11.417 1.00 0.00 H new ATOM 0 HG3 GLU A 71 82.962 -2.420 -11.249 1.00 0.00 H new ATOM 1128 N GLU A 72 81.357 -3.746 -9.490 1.00 0.00 N ATOM 1129 CA GLU A 72 81.616 -5.202 -9.646 1.00 0.00 C ATOM 1130 C GLU A 72 80.363 -5.909 -10.167 1.00 0.00 C ATOM 1131 O GLU A 72 80.407 -6.623 -11.149 1.00 0.00 O ATOM 1132 CB GLU A 72 81.964 -5.699 -8.242 1.00 0.00 C ATOM 1133 CG GLU A 72 81.884 -7.227 -8.205 1.00 0.00 C ATOM 1134 CD GLU A 72 80.779 -7.658 -7.239 1.00 0.00 C ATOM 1135 OE1 GLU A 72 80.960 -7.478 -6.046 1.00 0.00 O ATOM 1136 OE2 GLU A 72 79.772 -8.161 -7.708 1.00 0.00 O ATOM 0 H GLU A 72 81.611 -3.355 -8.583 1.00 0.00 H new ATOM 0 HA GLU A 72 82.416 -5.403 -10.359 1.00 0.00 H new ATOM 0 HB2 GLU A 72 82.966 -5.370 -7.967 1.00 0.00 H new ATOM 0 HB3 GLU A 72 81.276 -5.271 -7.513 1.00 0.00 H new ATOM 0 HG2 GLU A 72 81.681 -7.615 -9.203 1.00 0.00 H new ATOM 0 HG3 GLU A 72 82.840 -7.644 -7.889 1.00 0.00 H new ATOM 1143 N LYS A 73 79.246 -5.719 -9.518 1.00 0.00 N ATOM 1144 CA LYS A 73 77.998 -6.389 -9.987 1.00 0.00 C ATOM 1145 C LYS A 73 76.797 -5.940 -9.149 1.00 0.00 C ATOM 1146 O LYS A 73 75.959 -6.737 -8.780 1.00 0.00 O ATOM 1147 CB LYS A 73 78.258 -7.881 -9.791 1.00 0.00 C ATOM 1148 CG LYS A 73 77.529 -8.672 -10.877 1.00 0.00 C ATOM 1149 CD LYS A 73 78.496 -8.976 -12.023 1.00 0.00 C ATOM 1150 CE LYS A 73 77.703 -9.218 -13.309 1.00 0.00 C ATOM 1151 NZ LYS A 73 77.354 -7.859 -13.807 1.00 0.00 N ATOM 0 H LYS A 73 79.143 -5.133 -8.689 1.00 0.00 H new ATOM 0 HA LYS A 73 77.765 -6.143 -11.023 1.00 0.00 H new ATOM 0 HB2 LYS A 73 79.328 -8.083 -9.835 1.00 0.00 H new ATOM 0 HB3 LYS A 73 77.915 -8.195 -8.805 1.00 0.00 H new ATOM 0 HG2 LYS A 73 77.135 -9.600 -10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 73 76.677 -8.102 -11.247 1.00 0.00 H new ATOM 0 HD2 LYS A 73 79.187 -8.144 -12.160 1.00 0.00 H new ATOM 0 HD3 LYS A 73 79.097 -9.853 -11.783 1.00 0.00 H new ATOM 0 HE2 LYS A 73 78.296 -9.767 -14.041 1.00 0.00 H new ATOM 0 HE3 LYS A 73 76.808 -9.810 -13.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 76.360 -7.846 -14.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 77.490 -7.165 -13.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 77.968 -7.616 -14.611 1.00 0.00 H new ATOM 1165 N GLN A 74 76.709 -4.670 -8.855 1.00 0.00 N ATOM 1166 CA GLN A 74 75.567 -4.160 -8.047 1.00 0.00 C ATOM 1167 C GLN A 74 75.218 -5.146 -6.934 1.00 0.00 C ATOM 1168 O GLN A 74 75.779 -5.104 -5.859 1.00 0.00 O ATOM 1169 CB GLN A 74 74.410 -4.028 -9.039 1.00 0.00 C ATOM 1170 CG GLN A 74 74.754 -2.965 -10.085 1.00 0.00 C ATOM 1171 CD GLN A 74 74.042 -1.656 -9.739 1.00 0.00 C ATOM 1172 OE1 GLN A 74 73.123 -1.643 -8.945 1.00 0.00 O ATOM 1173 NE2 GLN A 74 74.432 -0.547 -10.306 1.00 0.00 N ATOM 0 H GLN A 74 77.384 -3.961 -9.142 1.00 0.00 H new ATOM 0 HA GLN A 74 75.796 -3.212 -7.561 1.00 0.00 H new ATOM 0 HB2 GLN A 74 74.223 -4.985 -9.526 1.00 0.00 H new ATOM 0 HB3 GLN A 74 73.495 -3.754 -8.513 1.00 0.00 H new ATOM 0 HG2 GLN A 74 75.832 -2.807 -10.117 1.00 0.00 H new ATOM 0 HG3 GLN A 74 74.452 -3.304 -11.076 1.00 0.00 H new ATOM 0 HE21 GLN A 74 75.204 -0.559 -10.973 1.00 0.00 H new ATOM 0 HE22 GLN A 74 73.965 0.332 -10.082 1.00 0.00 H new ATOM 1182 N GLY A 75 74.290 -6.025 -7.174 1.00 0.00 N ATOM 1183 CA GLY A 75 73.905 -6.988 -6.108 1.00 0.00 C ATOM 1184 C GLY A 75 73.809 -8.415 -6.657 1.00 0.00 C ATOM 1185 O GLY A 75 72.919 -9.155 -6.294 1.00 0.00 O ATOM 0 H GLY A 75 73.784 -6.119 -8.055 1.00 0.00 H new ATOM 0 HA2 GLY A 75 74.638 -6.954 -5.302 1.00 0.00 H new ATOM 0 HA3 GLY A 75 72.947 -6.696 -5.679 1.00 0.00 H new ATOM 1189 N ALA A 76 74.731 -8.805 -7.499 1.00 0.00 N ATOM 1190 CA ALA A 76 74.730 -10.198 -8.062 1.00 0.00 C ATOM 1191 C ALA A 76 73.332 -10.648 -8.510 1.00 0.00 C ATOM 1192 O ALA A 76 72.431 -10.820 -7.715 1.00 0.00 O ATOM 1193 CB ALA A 76 75.226 -11.078 -6.915 1.00 0.00 C ATOM 0 H ALA A 76 75.495 -8.214 -7.827 1.00 0.00 H new ATOM 0 HA ALA A 76 75.355 -10.260 -8.953 1.00 0.00 H new ATOM 0 HB1 ALA A 76 75.256 -12.118 -7.241 1.00 0.00 H new ATOM 0 HB2 ALA A 76 76.226 -10.761 -6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 76 74.550 -10.984 -6.065 1.00 0.00 H new ATOM 1199 N GLU A 77 73.151 -10.869 -9.784 1.00 0.00 N ATOM 1200 CA GLU A 77 71.821 -11.330 -10.279 1.00 0.00 C ATOM 1201 C GLU A 77 71.343 -12.542 -9.471 1.00 0.00 C ATOM 1202 O GLU A 77 71.617 -13.676 -9.815 1.00 0.00 O ATOM 1203 CB GLU A 77 72.055 -11.719 -11.739 1.00 0.00 C ATOM 1204 CG GLU A 77 70.710 -11.975 -12.421 1.00 0.00 C ATOM 1205 CD GLU A 77 70.341 -13.454 -12.287 1.00 0.00 C ATOM 1206 OE1 GLU A 77 70.988 -14.265 -12.931 1.00 0.00 O ATOM 1207 OE2 GLU A 77 69.420 -13.750 -11.545 1.00 0.00 O ATOM 0 H GLU A 77 73.865 -10.751 -10.503 1.00 0.00 H new ATOM 0 HA GLU A 77 71.055 -10.561 -10.179 1.00 0.00 H new ATOM 0 HB2 GLU A 77 72.592 -10.924 -12.257 1.00 0.00 H new ATOM 0 HB3 GLU A 77 72.678 -12.612 -11.793 1.00 0.00 H new ATOM 0 HG2 GLU A 77 69.937 -11.354 -11.968 1.00 0.00 H new ATOM 0 HG3 GLU A 77 70.766 -11.697 -13.474 1.00 0.00 H new ATOM 1214 N ILE A 78 70.625 -12.314 -8.403 1.00 0.00 N ATOM 1215 CA ILE A 78 70.123 -13.454 -7.576 1.00 0.00 C ATOM 1216 C ILE A 78 68.634 -13.253 -7.289 1.00 0.00 C ATOM 1217 O ILE A 78 68.042 -12.281 -7.705 1.00 0.00 O ATOM 1218 CB ILE A 78 70.924 -13.401 -6.270 1.00 0.00 C ATOM 1219 CG1 ILE A 78 72.423 -13.323 -6.576 1.00 0.00 C ATOM 1220 CG2 ILE A 78 70.651 -14.662 -5.448 1.00 0.00 C ATOM 1221 CD1 ILE A 78 73.111 -12.446 -5.529 1.00 0.00 C ATOM 0 H ILE A 78 70.364 -11.387 -8.066 1.00 0.00 H new ATOM 0 HA ILE A 78 70.242 -14.414 -8.079 1.00 0.00 H new ATOM 0 HB ILE A 78 70.621 -12.518 -5.708 1.00 0.00 H new ATOM 0 HG12 ILE A 78 72.858 -14.322 -6.572 1.00 0.00 H new ATOM 0 HG13 ILE A 78 72.581 -12.910 -7.572 1.00 0.00 H new ATOM 0 HG21 ILE A 78 71.222 -14.622 -4.520 1.00 0.00 H new ATOM 0 HG22 ILE A 78 69.587 -14.723 -5.218 1.00 0.00 H new ATOM 0 HG23 ILE A 78 70.949 -15.541 -6.020 1.00 0.00 H new ATOM 0 HD11 ILE A 78 74.178 -12.390 -5.746 1.00 0.00 H new ATOM 0 HD12 ILE A 78 72.682 -11.444 -5.555 1.00 0.00 H new ATOM 0 HD13 ILE A 78 72.964 -12.878 -4.539 1.00 0.00 H new ATOM 1233 N ASP A 79 68.018 -14.156 -6.584 1.00 0.00 N ATOM 1234 CA ASP A 79 66.570 -13.987 -6.286 1.00 0.00 C ATOM 1235 C ASP A 79 65.827 -13.566 -7.557 1.00 0.00 C ATOM 1236 O ASP A 79 64.804 -12.912 -7.506 1.00 0.00 O ATOM 1237 CB ASP A 79 66.508 -12.877 -5.235 1.00 0.00 C ATOM 1238 CG ASP A 79 65.364 -13.163 -4.260 1.00 0.00 C ATOM 1239 OD1 ASP A 79 64.480 -13.922 -4.621 1.00 0.00 O ATOM 1240 OD2 ASP A 79 65.392 -12.619 -3.168 1.00 0.00 O ATOM 0 H ASP A 79 68.449 -14.998 -6.203 1.00 0.00 H new ATOM 0 HA ASP A 79 66.106 -14.907 -5.930 1.00 0.00 H new ATOM 0 HB2 ASP A 79 67.454 -12.818 -4.696 1.00 0.00 H new ATOM 0 HB3 ASP A 79 66.356 -11.912 -5.718 1.00 0.00 H new ATOM 1245 N GLY A 80 66.338 -13.942 -8.698 1.00 0.00 N ATOM 1246 CA GLY A 80 65.674 -13.575 -9.972 1.00 0.00 C ATOM 1247 C GLY A 80 66.040 -12.139 -10.361 1.00 0.00 C ATOM 1248 O GLY A 80 65.342 -11.498 -11.119 1.00 0.00 O ATOM 0 H GLY A 80 67.192 -14.491 -8.798 1.00 0.00 H new ATOM 0 HA2 GLY A 80 65.978 -14.263 -10.761 1.00 0.00 H new ATOM 0 HA3 GLY A 80 64.593 -13.668 -9.868 1.00 0.00 H new ATOM 1252 N ARG A 81 67.132 -11.631 -9.850 1.00 0.00 N ATOM 1253 CA ARG A 81 67.540 -10.236 -10.196 1.00 0.00 C ATOM 1254 C ARG A 81 68.729 -9.801 -9.334 1.00 0.00 C ATOM 1255 O ARG A 81 68.862 -10.196 -8.195 1.00 0.00 O ATOM 1256 CB ARG A 81 66.316 -9.367 -9.892 1.00 0.00 C ATOM 1257 CG ARG A 81 65.686 -9.807 -8.568 1.00 0.00 C ATOM 1258 CD ARG A 81 64.725 -8.723 -8.075 1.00 0.00 C ATOM 1259 NE ARG A 81 63.398 -9.102 -8.635 1.00 0.00 N ATOM 1260 CZ ARG A 81 62.310 -8.866 -7.954 1.00 0.00 C ATOM 1261 NH1 ARG A 81 61.790 -7.669 -7.947 1.00 0.00 N ATOM 1262 NH2 ARG A 81 61.743 -9.828 -7.279 1.00 0.00 N ATOM 0 H ARG A 81 67.757 -12.120 -9.210 1.00 0.00 H new ATOM 0 HA ARG A 81 67.850 -10.150 -11.237 1.00 0.00 H new ATOM 0 HB2 ARG A 81 66.608 -8.318 -9.836 1.00 0.00 H new ATOM 0 HB3 ARG A 81 65.588 -9.453 -10.698 1.00 0.00 H new ATOM 0 HG2 ARG A 81 65.152 -10.748 -8.702 1.00 0.00 H new ATOM 0 HG3 ARG A 81 66.463 -9.985 -7.825 1.00 0.00 H new ATOM 0 HD2 ARG A 81 64.698 -8.685 -6.986 1.00 0.00 H new ATOM 0 HD3 ARG A 81 65.032 -7.736 -8.421 1.00 0.00 H new ATOM 0 HE ARG A 81 63.340 -9.546 -9.551 1.00 0.00 H new ATOM 0 HH11 ARG A 81 62.234 -6.917 -8.474 1.00 0.00 H new ATOM 0 HH12 ARG A 81 60.940 -7.485 -7.414 1.00 0.00 H new ATOM 0 HH21 ARG A 81 62.150 -10.763 -7.284 1.00 0.00 H new ATOM 0 HH22 ARG A 81 60.893 -9.645 -6.746 1.00 0.00 H new ATOM 1276 N SER A 82 69.594 -8.986 -9.866 1.00 0.00 N ATOM 1277 CA SER A 82 70.765 -8.529 -9.066 1.00 0.00 C ATOM 1278 C SER A 82 70.350 -7.377 -8.151 1.00 0.00 C ATOM 1279 O SER A 82 69.710 -6.439 -8.580 1.00 0.00 O ATOM 1280 CB SER A 82 71.789 -8.054 -10.093 1.00 0.00 C ATOM 1281 OG SER A 82 71.111 -7.603 -11.259 1.00 0.00 O ATOM 0 H SER A 82 69.543 -8.617 -10.816 1.00 0.00 H new ATOM 0 HA SER A 82 71.167 -9.318 -8.430 1.00 0.00 H new ATOM 0 HB2 SER A 82 72.393 -7.249 -9.675 1.00 0.00 H new ATOM 0 HB3 SER A 82 72.471 -8.866 -10.346 1.00 0.00 H new ATOM 0 HG SER A 82 71.766 -7.296 -11.920 1.00 0.00 H new ATOM 1287 N VAL A 83 70.710 -7.429 -6.897 1.00 0.00 N ATOM 1288 CA VAL A 83 70.324 -6.314 -5.988 1.00 0.00 C ATOM 1289 C VAL A 83 70.992 -5.024 -6.481 1.00 0.00 C ATOM 1290 O VAL A 83 72.200 -4.934 -6.578 1.00 0.00 O ATOM 1291 CB VAL A 83 70.811 -6.739 -4.594 1.00 0.00 C ATOM 1292 CG1 VAL A 83 71.174 -5.508 -3.758 1.00 0.00 C ATOM 1293 CG2 VAL A 83 69.693 -7.513 -3.889 1.00 0.00 C ATOM 0 H VAL A 83 71.246 -8.183 -6.468 1.00 0.00 H new ATOM 0 HA VAL A 83 69.252 -6.119 -5.962 1.00 0.00 H new ATOM 0 HB VAL A 83 71.695 -7.367 -4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 83 71.517 -5.825 -2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 83 71.967 -4.951 -4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 83 70.296 -4.871 -3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 83 70.031 -7.818 -2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 83 68.814 -6.875 -3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 83 69.438 -8.397 -4.474 1.00 0.00 H new ATOM 1303 N SER A 84 70.207 -4.038 -6.824 1.00 0.00 N ATOM 1304 CA SER A 84 70.781 -2.764 -7.352 1.00 0.00 C ATOM 1305 C SER A 84 71.464 -1.959 -6.249 1.00 0.00 C ATOM 1306 O SER A 84 71.023 -1.926 -5.118 1.00 0.00 O ATOM 1307 CB SER A 84 69.582 -1.995 -7.904 1.00 0.00 C ATOM 1308 OG SER A 84 68.947 -2.773 -8.909 1.00 0.00 O ATOM 0 H SER A 84 69.189 -4.059 -6.761 1.00 0.00 H new ATOM 0 HA SER A 84 71.544 -2.952 -8.107 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.878 -1.772 -7.102 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.907 -1.040 -8.318 1.00 0.00 H new ATOM 0 HG SER A 84 68.362 -2.199 -9.446 1.00 0.00 H new ATOM 1314 N LEU A 85 72.539 -1.301 -6.581 1.00 0.00 N ATOM 1315 CA LEU A 85 73.260 -0.481 -5.573 1.00 0.00 C ATOM 1316 C LEU A 85 73.083 1.005 -5.889 1.00 0.00 C ATOM 1317 O LEU A 85 73.425 1.467 -6.960 1.00 0.00 O ATOM 1318 CB LEU A 85 74.725 -0.895 -5.710 1.00 0.00 C ATOM 1319 CG LEU A 85 74.975 -2.118 -4.832 1.00 0.00 C ATOM 1320 CD1 LEU A 85 73.990 -3.225 -5.206 1.00 0.00 C ATOM 1321 CD2 LEU A 85 76.413 -2.608 -5.020 1.00 0.00 C ATOM 0 H LEU A 85 72.951 -1.297 -7.514 1.00 0.00 H new ATOM 0 HA LEU A 85 72.888 -0.636 -4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.957 -1.124 -6.750 1.00 0.00 H new ATOM 0 HB3 LEU A 85 75.378 -0.076 -5.410 1.00 0.00 H new ATOM 0 HG LEU A 85 74.830 -1.848 -3.786 1.00 0.00 H new ATOM 0 HD11 LEU A 85 74.169 -4.098 -4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 85 72.970 -2.871 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 85 74.127 -3.496 -6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 85 76.585 -3.481 -4.391 1.00 0.00 H new ATOM 0 HD22 LEU A 85 76.572 -2.876 -6.064 1.00 0.00 H new ATOM 0 HD23 LEU A 85 77.107 -1.816 -4.739 1.00 0.00 H new ATOM 1333 N TYR A 86 72.553 1.758 -4.967 1.00 0.00 N ATOM 1334 CA TYR A 86 72.359 3.212 -5.212 1.00 0.00 C ATOM 1335 C TYR A 86 73.372 3.997 -4.396 1.00 0.00 C ATOM 1336 O TYR A 86 73.066 4.556 -3.363 1.00 0.00 O ATOM 1337 CB TYR A 86 70.946 3.522 -4.739 1.00 0.00 C ATOM 1338 CG TYR A 86 69.988 3.422 -5.900 1.00 0.00 C ATOM 1339 CD1 TYR A 86 70.179 2.443 -6.882 1.00 0.00 C ATOM 1340 CD2 TYR A 86 68.908 4.308 -5.995 1.00 0.00 C ATOM 1341 CE1 TYR A 86 69.291 2.350 -7.959 1.00 0.00 C ATOM 1342 CE2 TYR A 86 68.020 4.215 -7.073 1.00 0.00 C ATOM 1343 CZ TYR A 86 68.211 3.235 -8.055 1.00 0.00 C ATOM 1344 OH TYR A 86 67.334 3.145 -9.117 1.00 0.00 O ATOM 0 H TYR A 86 72.245 1.428 -4.052 1.00 0.00 H new ATOM 0 HA TYR A 86 72.495 3.478 -6.260 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.654 2.825 -3.953 1.00 0.00 H new ATOM 0 HB3 TYR A 86 70.908 4.523 -4.308 1.00 0.00 H new ATOM 0 HD1 TYR A 86 71.012 1.759 -6.808 1.00 0.00 H new ATOM 0 HD2 TYR A 86 68.760 5.063 -5.237 1.00 0.00 H new ATOM 0 HE1 TYR A 86 69.439 1.595 -8.717 1.00 0.00 H new ATOM 0 HE2 TYR A 86 67.188 4.899 -7.147 1.00 0.00 H new ATOM 0 HH TYR A 86 66.642 3.833 -9.029 1.00 0.00 H new ATOM 1354 N TYR A 87 74.579 4.024 -4.853 1.00 0.00 N ATOM 1355 CA TYR A 87 75.637 4.751 -4.127 1.00 0.00 C ATOM 1356 C TYR A 87 75.664 6.204 -4.563 1.00 0.00 C ATOM 1357 O TYR A 87 75.060 6.589 -5.544 1.00 0.00 O ATOM 1358 CB TYR A 87 76.930 4.048 -4.521 1.00 0.00 C ATOM 1359 CG TYR A 87 78.133 4.931 -4.286 1.00 0.00 C ATOM 1360 CD1 TYR A 87 78.421 5.973 -5.176 1.00 0.00 C ATOM 1361 CD2 TYR A 87 78.974 4.689 -3.196 1.00 0.00 C ATOM 1362 CE1 TYR A 87 79.550 6.775 -4.971 1.00 0.00 C ATOM 1363 CE2 TYR A 87 80.101 5.492 -2.990 1.00 0.00 C ATOM 1364 CZ TYR A 87 80.390 6.535 -3.878 1.00 0.00 C ATOM 1365 OH TYR A 87 81.504 7.324 -3.676 1.00 0.00 O ATOM 0 H TYR A 87 74.883 3.566 -5.712 1.00 0.00 H new ATOM 0 HA TYR A 87 75.482 4.748 -3.048 1.00 0.00 H new ATOM 0 HB2 TYR A 87 77.035 3.128 -3.946 1.00 0.00 H new ATOM 0 HB3 TYR A 87 76.885 3.764 -5.572 1.00 0.00 H new ATOM 0 HD1 TYR A 87 77.773 6.158 -6.020 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.754 3.882 -2.513 1.00 0.00 H new ATOM 0 HE1 TYR A 87 79.773 7.579 -5.657 1.00 0.00 H new ATOM 0 HE2 TYR A 87 80.748 5.307 -2.146 1.00 0.00 H new ATOM 0 HH TYR A 87 81.308 7.997 -2.991 1.00 0.00 H new ATOM 1375 N THR A 88 76.382 6.997 -3.840 1.00 0.00 N ATOM 1376 CA THR A 88 76.497 8.453 -4.188 1.00 0.00 C ATOM 1377 C THR A 88 77.071 9.264 -3.022 1.00 0.00 C ATOM 1378 O THR A 88 76.757 10.425 -2.854 1.00 0.00 O ATOM 1379 CB THR A 88 75.071 8.926 -4.503 1.00 0.00 C ATOM 1380 OG1 THR A 88 75.006 10.340 -4.381 1.00 0.00 O ATOM 1381 CG2 THR A 88 74.084 8.285 -3.524 1.00 0.00 C ATOM 0 H THR A 88 76.905 6.710 -3.012 1.00 0.00 H new ATOM 0 HA THR A 88 77.173 8.595 -5.032 1.00 0.00 H new ATOM 0 HB THR A 88 74.810 8.633 -5.520 1.00 0.00 H new ATOM 0 HG1 THR A 88 75.218 10.599 -3.460 1.00 0.00 H new ATOM 0 HG21 THR A 88 73.073 8.624 -3.752 1.00 0.00 H new ATOM 0 HG22 THR A 88 74.132 7.200 -3.617 1.00 0.00 H new ATOM 0 HG23 THR A 88 74.342 8.574 -2.505 1.00 0.00 H new