USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 733 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 SER OG : rot 180:sc= 0.0283 USER MOD Set 1.2: A 107 THR OG1 : rot -55:sc= 0.0273 USER MOD Set 2.1: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 63 HIS : no HD1:sc= -0.285 X(o=-0.29,f=-0.047) USER MOD Single : A 20 THR OG1 : rot 170:sc= -1.85 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 27 SER OG : rot 170:sc= -0.0916 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.954 USER MOD Single : A 37 SER OG : rot 34:sc= 0.265 USER MOD Single : A 39 GLN : amide:sc= -0.0566 K(o=-0.057,f=-1.5!) USER MOD Single : A 43 CYS SG : rot 105:sc= -0.558 USER MOD Single : A 48 GLN : amide:sc= -0.0114 K(o=-0.011,f=-0.87) USER MOD Single : A 50 TYR OH : rot 60:sc= -2.03 USER MOD Single : A 51 SER OG : rot 109:sc= 1.4 USER MOD Single : A 55 GLN : amide:sc= -0.285 X(o=-0.29,f=0) USER MOD Single : A 58 ASN : amide:sc= -1.59 X(o=-1.6,f=-1.9) USER MOD Single : A 66 ASN : amide:sc= -0.73 K(o=-0.73,f=0) USER MOD Single : A 69 ASN : amide:sc= -0.346 K(o=-0.35,f=-4.3!) USER MOD Single : A 72 GLN : amide:sc= 0.0537 X(o=0.054,f=-0.3) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 39:sc= 0.00399 USER MOD Single : A 83 ASN : amide:sc= -1.86! K(o=-1.9!,f=-0.15) USER MOD Single : A 84 HIS : no HE2:sc= 0.8 K(o=0.8,f=-6.9!) USER MOD Single : A 86 TYR OH : rot 15:sc= -0.21 USER MOD Single : A 93 GLN : amide:sc= -9.61! C(o=-9.6!,f=-9.2!) USER MOD Single : A 94 SER OG : rot 150:sc= -0.263 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 184 N GLY A 16 9.112 16.859 -1.275 1.00 0.00 N ATOM 185 CA GLY A 16 7.874 16.762 -2.026 1.00 0.00 C ATOM 186 C GLY A 16 7.447 15.326 -2.257 1.00 0.00 C ATOM 187 O GLY A 16 6.975 14.978 -3.340 1.00 0.00 O ATOM 0 HA2 GLY A 16 7.085 17.291 -1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.996 17.261 -2.988 1.00 0.00 H new ATOM 191 N VAL A 17 7.615 14.489 -1.238 1.00 0.00 N ATOM 192 CA VAL A 17 7.244 13.082 -1.335 1.00 0.00 C ATOM 193 C VAL A 17 5.974 12.793 -0.544 1.00 0.00 C ATOM 194 O VAL A 17 5.664 13.458 0.445 1.00 0.00 O ATOM 195 CB VAL A 17 8.374 12.168 -0.824 1.00 0.00 C ATOM 196 CG1 VAL A 17 9.527 12.138 -1.816 1.00 0.00 C ATOM 197 CG2 VAL A 17 8.850 12.625 0.546 1.00 0.00 C ATOM 0 H VAL A 17 8.006 14.761 -0.336 1.00 0.00 H new ATOM 0 HA VAL A 17 7.066 12.873 -2.390 1.00 0.00 H new ATOM 0 HB VAL A 17 7.983 11.155 -0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.316 11.487 -1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.172 11.759 -2.775 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.920 13.146 -1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.648 11.968 0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.224 13.647 0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.019 12.588 1.251 1.00 0.00 H new ATOM 207 N PRO A 18 5.219 11.777 -0.988 1.00 0.00 N ATOM 208 CA PRO A 18 3.969 11.375 -0.335 1.00 0.00 C ATOM 209 C PRO A 18 4.208 10.732 1.027 1.00 0.00 C ATOM 210 O PRO A 18 4.695 9.605 1.115 1.00 0.00 O ATOM 211 CB PRO A 18 3.372 10.357 -1.310 1.00 0.00 C ATOM 212 CG PRO A 18 4.542 9.811 -2.052 1.00 0.00 C ATOM 213 CD PRO A 18 5.528 10.942 -2.161 1.00 0.00 C ATOM 0 HA PRO A 18 3.319 12.228 -0.137 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.836 9.569 -0.781 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.659 10.828 -1.987 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.978 8.963 -1.524 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.247 9.454 -3.039 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.557 10.582 -2.139 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.404 11.495 -3.092 1.00 0.00 H new ATOM 221 N ASP A 19 3.860 11.456 2.086 1.00 0.00 N ATOM 222 CA ASP A 19 4.035 10.955 3.444 1.00 0.00 C ATOM 223 C ASP A 19 3.335 9.611 3.622 1.00 0.00 C ATOM 224 O ASP A 19 2.390 9.290 2.900 1.00 0.00 O ATOM 225 CB ASP A 19 3.492 11.965 4.456 1.00 0.00 C ATOM 226 CG ASP A 19 4.231 11.912 5.779 1.00 0.00 C ATOM 227 OD1 ASP A 19 5.472 12.054 5.773 1.00 0.00 O ATOM 228 OD2 ASP A 19 3.568 11.730 6.822 1.00 0.00 O ATOM 0 H ASP A 19 3.456 12.391 2.030 1.00 0.00 H new ATOM 0 HA ASP A 19 5.102 10.814 3.619 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.569 12.969 4.040 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.433 11.771 4.626 1.00 0.00 H new ATOM 233 N THR A 20 3.804 8.828 4.589 1.00 0.00 N ATOM 234 CA THR A 20 3.225 7.519 4.860 1.00 0.00 C ATOM 235 C THR A 20 1.703 7.565 4.791 1.00 0.00 C ATOM 236 O THR A 20 1.053 8.383 5.443 1.00 0.00 O ATOM 237 CB THR A 20 3.649 6.994 6.245 1.00 0.00 C ATOM 238 OG1 THR A 20 5.009 7.357 6.512 1.00 0.00 O ATOM 239 CG2 THR A 20 3.499 5.482 6.320 1.00 0.00 C ATOM 0 H THR A 20 4.584 9.078 5.197 1.00 0.00 H new ATOM 0 HA THR A 20 3.600 6.843 4.092 1.00 0.00 H new ATOM 0 HB THR A 20 2.999 7.446 6.994 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.221 7.164 7.449 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.804 5.135 7.307 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.458 5.211 6.146 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.127 5.016 5.561 1.00 0.00 H new ATOM 247 N PRO A 21 1.119 6.668 3.984 1.00 0.00 N ATOM 248 CA PRO A 21 -0.334 6.586 3.811 1.00 0.00 C ATOM 249 C PRO A 21 -1.038 6.066 5.060 1.00 0.00 C ATOM 250 O PRO A 21 -0.443 5.353 5.870 1.00 0.00 O ATOM 251 CB PRO A 21 -0.499 5.598 2.654 1.00 0.00 C ATOM 252 CG PRO A 21 0.732 4.760 2.693 1.00 0.00 C ATOM 253 CD PRO A 21 1.833 5.664 3.177 1.00 0.00 C ATOM 0 HA PRO A 21 -0.777 7.563 3.621 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.396 4.990 2.777 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.594 6.117 1.700 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.604 3.909 3.362 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.962 4.358 1.706 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.568 5.120 3.770 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.370 6.123 2.347 1.00 0.00 H new ATOM 261 N THR A 22 -2.308 6.425 5.212 1.00 0.00 N ATOM 262 CA THR A 22 -3.093 5.995 6.362 1.00 0.00 C ATOM 263 C THR A 22 -3.374 4.498 6.308 1.00 0.00 C ATOM 264 O THR A 22 -3.139 3.850 5.288 1.00 0.00 O ATOM 265 CB THR A 22 -4.431 6.755 6.446 1.00 0.00 C ATOM 266 OG1 THR A 22 -4.296 8.051 5.853 1.00 0.00 O ATOM 267 CG2 THR A 22 -4.883 6.896 7.891 1.00 0.00 C ATOM 0 H THR A 22 -2.816 7.014 4.552 1.00 0.00 H new ATOM 0 HA THR A 22 -2.501 6.219 7.249 1.00 0.00 H new ATOM 0 HB THR A 22 -5.183 6.184 5.902 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.151 8.527 5.909 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.829 7.436 7.925 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.013 5.907 8.330 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.131 7.447 8.455 1.00 0.00 H new ATOM 275 N ARG A 23 -3.878 3.955 7.411 1.00 0.00 N ATOM 276 CA ARG A 23 -4.191 2.533 7.488 1.00 0.00 C ATOM 277 C ARG A 23 -4.855 2.052 6.201 1.00 0.00 C ATOM 278 O ARG A 23 -5.343 2.854 5.404 1.00 0.00 O ATOM 279 CB ARG A 23 -5.106 2.254 8.682 1.00 0.00 C ATOM 280 CG ARG A 23 -6.514 2.801 8.511 1.00 0.00 C ATOM 281 CD ARG A 23 -7.517 2.030 9.354 1.00 0.00 C ATOM 282 NE ARG A 23 -8.073 0.887 8.635 1.00 0.00 N ATOM 283 CZ ARG A 23 -8.682 -0.131 9.232 1.00 0.00 C ATOM 284 NH1 ARG A 23 -8.815 -0.147 10.551 1.00 0.00 N ATOM 285 NH2 ARG A 23 -9.162 -1.135 8.509 1.00 0.00 N ATOM 0 H ARG A 23 -4.078 4.478 8.264 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.257 1.988 7.620 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.161 1.177 8.843 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.663 2.689 9.578 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.533 3.854 8.793 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.802 2.747 7.461 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.033 1.683 10.267 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.325 2.696 9.656 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.989 0.870 7.619 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.449 0.624 11.110 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.283 -0.930 11.007 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.063 -1.125 7.494 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.630 -1.916 8.968 1.00 0.00 H new ATOM 299 N LEU A 24 -4.868 0.738 6.004 1.00 0.00 N ATOM 300 CA LEU A 24 -5.472 0.149 4.814 1.00 0.00 C ATOM 301 C LEU A 24 -6.776 -0.563 5.160 1.00 0.00 C ATOM 302 O LEU A 24 -6.968 -1.015 6.289 1.00 0.00 O ATOM 303 CB LEU A 24 -4.500 -0.833 4.158 1.00 0.00 C ATOM 304 CG LEU A 24 -3.013 -0.525 4.336 1.00 0.00 C ATOM 305 CD1 LEU A 24 -2.164 -1.683 3.834 1.00 0.00 C ATOM 306 CD2 LEU A 24 -2.644 0.761 3.612 1.00 0.00 C ATOM 0 H LEU A 24 -4.467 0.061 6.653 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.694 0.954 4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.695 -1.828 4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.718 -0.870 3.091 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.815 -0.390 5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.109 -1.446 3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.408 -2.584 4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.366 -1.850 2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.582 0.964 3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.858 0.654 2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.227 1.587 4.018 1.00 0.00 H new ATOM 318 N VAL A 25 -7.668 -0.662 4.180 1.00 0.00 N ATOM 319 CA VAL A 25 -8.953 -1.322 4.379 1.00 0.00 C ATOM 320 C VAL A 25 -9.057 -2.588 3.535 1.00 0.00 C ATOM 321 O VAL A 25 -8.961 -2.538 2.309 1.00 0.00 O ATOM 322 CB VAL A 25 -10.125 -0.387 4.030 1.00 0.00 C ATOM 323 CG1 VAL A 25 -11.440 -1.152 4.034 1.00 0.00 C ATOM 324 CG2 VAL A 25 -10.178 0.785 4.998 1.00 0.00 C ATOM 0 H VAL A 25 -7.525 -0.293 3.240 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.012 -1.587 5.435 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.965 0.007 3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.256 -0.474 3.785 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.397 -1.954 3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.611 -1.577 5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.012 1.436 4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.313 0.412 6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.247 1.348 4.939 1.00 0.00 H new ATOM 334 N PHE A 26 -9.256 -3.721 4.200 1.00 0.00 N ATOM 335 CA PHE A 26 -9.373 -5.001 3.511 1.00 0.00 C ATOM 336 C PHE A 26 -10.830 -5.449 3.440 1.00 0.00 C ATOM 337 O PHE A 26 -11.545 -5.432 4.442 1.00 0.00 O ATOM 338 CB PHE A 26 -8.535 -6.065 4.222 1.00 0.00 C ATOM 339 CG PHE A 26 -7.118 -5.638 4.481 1.00 0.00 C ATOM 340 CD1 PHE A 26 -6.131 -5.854 3.533 1.00 0.00 C ATOM 341 CD2 PHE A 26 -6.774 -5.020 5.672 1.00 0.00 C ATOM 342 CE1 PHE A 26 -4.827 -5.463 3.769 1.00 0.00 C ATOM 343 CE2 PHE A 26 -5.471 -4.626 5.914 1.00 0.00 C ATOM 344 CZ PHE A 26 -4.497 -4.847 4.960 1.00 0.00 C ATOM 0 H PHE A 26 -9.340 -3.779 5.215 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.000 -4.874 2.495 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.010 -6.316 5.171 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.528 -6.973 3.619 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.384 -6.333 2.599 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -7.533 -4.844 6.420 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.066 -5.639 3.023 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.215 -4.146 6.847 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.479 -4.538 5.145 1.00 0.00 H new ATOM 354 N SER A 27 -11.263 -5.848 2.249 1.00 0.00 N ATOM 355 CA SER A 27 -12.635 -6.297 2.045 1.00 0.00 C ATOM 356 C SER A 27 -12.728 -7.817 2.129 1.00 0.00 C ATOM 357 O SER A 27 -13.711 -8.363 2.630 1.00 0.00 O ATOM 358 CB SER A 27 -13.155 -5.817 0.688 1.00 0.00 C ATOM 359 OG SER A 27 -14.532 -6.112 0.536 1.00 0.00 O ATOM 0 H SER A 27 -10.683 -5.870 1.410 1.00 0.00 H new ATOM 0 HA SER A 27 -13.252 -5.869 2.835 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.998 -4.743 0.594 1.00 0.00 H new ATOM 0 HB3 SER A 27 -12.587 -6.293 -0.112 1.00 0.00 H new ATOM 0 HG SER A 27 -14.878 -5.658 -0.261 1.00 0.00 H new ATOM 365 N ALA A 28 -11.698 -8.495 1.635 1.00 0.00 N ATOM 366 CA ALA A 28 -11.661 -9.952 1.655 1.00 0.00 C ATOM 367 C ALA A 28 -12.871 -10.542 0.939 1.00 0.00 C ATOM 368 O ALA A 28 -13.595 -11.367 1.498 1.00 0.00 O ATOM 369 CB ALA A 28 -11.595 -10.458 3.088 1.00 0.00 C ATOM 0 H ALA A 28 -10.877 -8.058 1.216 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.765 -10.275 1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.568 -11.548 3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.696 -10.073 3.569 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.474 -10.117 3.635 1.00 0.00 H new ATOM 375 N LEU A 29 -13.085 -10.114 -0.300 1.00 0.00 N ATOM 376 CA LEU A 29 -14.209 -10.599 -1.094 1.00 0.00 C ATOM 377 C LEU A 29 -14.368 -12.109 -0.946 1.00 0.00 C ATOM 378 O LEU A 29 -15.471 -12.642 -1.059 1.00 0.00 O ATOM 379 CB LEU A 29 -14.013 -10.237 -2.567 1.00 0.00 C ATOM 380 CG LEU A 29 -13.954 -8.743 -2.888 1.00 0.00 C ATOM 381 CD1 LEU A 29 -14.842 -7.956 -1.937 1.00 0.00 C ATOM 382 CD2 LEU A 29 -12.519 -8.240 -2.820 1.00 0.00 C ATOM 0 H LEU A 29 -12.495 -9.432 -0.777 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.116 -10.119 -0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.089 -10.700 -2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -14.827 -10.680 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.323 -8.594 -3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -14.787 -6.895 -2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.872 -8.298 -2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.504 -8.110 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.495 -7.175 -3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.124 -8.403 -1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.909 -8.782 -3.543 1.00 0.00 H new ATOM 394 N GLY A 30 -13.257 -12.794 -0.692 1.00 0.00 N ATOM 395 CA GLY A 30 -13.294 -14.236 -0.531 1.00 0.00 C ATOM 396 C GLY A 30 -12.008 -14.788 0.051 1.00 0.00 C ATOM 397 O GLY A 30 -11.165 -14.049 0.560 1.00 0.00 O ATOM 0 H GLY A 30 -12.332 -12.376 -0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.127 -14.505 0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.480 -14.702 -1.499 1.00 0.00 H new ATOM 401 N PRO A 31 -11.845 -16.117 -0.020 1.00 0.00 N ATOM 402 CA PRO A 31 -10.655 -16.797 0.500 1.00 0.00 C ATOM 403 C PRO A 31 -9.409 -16.502 -0.329 1.00 0.00 C ATOM 404 O PRO A 31 -8.289 -16.534 0.182 1.00 0.00 O ATOM 405 CB PRO A 31 -11.023 -18.280 0.403 1.00 0.00 C ATOM 406 CG PRO A 31 -12.038 -18.348 -0.686 1.00 0.00 C ATOM 407 CD PRO A 31 -12.809 -17.059 -0.613 1.00 0.00 C ATOM 0 HA PRO A 31 -10.408 -16.470 1.510 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.150 -18.890 0.169 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -11.428 -18.650 1.345 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.560 -18.462 -1.659 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -12.697 -19.206 -0.552 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -13.137 -16.731 -1.599 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -13.703 -17.160 0.003 1.00 0.00 H new ATOM 415 N THR A 32 -9.612 -16.214 -1.611 1.00 0.00 N ATOM 416 CA THR A 32 -8.505 -15.914 -2.510 1.00 0.00 C ATOM 417 C THR A 32 -8.666 -14.534 -3.138 1.00 0.00 C ATOM 418 O THR A 32 -8.068 -14.238 -4.172 1.00 0.00 O ATOM 419 CB THR A 32 -8.391 -16.965 -3.631 1.00 0.00 C ATOM 420 OG1 THR A 32 -9.610 -17.016 -4.380 1.00 0.00 O ATOM 421 CG2 THR A 32 -8.086 -18.339 -3.055 1.00 0.00 C ATOM 0 H THR A 32 -10.532 -16.182 -2.049 1.00 0.00 H new ATOM 0 HA THR A 32 -7.596 -15.934 -1.909 1.00 0.00 H new ATOM 0 HB THR A 32 -7.572 -16.675 -4.290 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.529 -17.685 -5.092 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.010 -19.064 -3.865 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.143 -18.304 -2.510 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.886 -18.635 -2.377 1.00 0.00 H new ATOM 429 N SER A 33 -9.477 -13.692 -2.505 1.00 0.00 N ATOM 430 CA SER A 33 -9.718 -12.343 -3.004 1.00 0.00 C ATOM 431 C SER A 33 -9.689 -11.329 -1.864 1.00 0.00 C ATOM 432 O SER A 33 -10.046 -11.644 -0.728 1.00 0.00 O ATOM 433 CB SER A 33 -11.066 -12.277 -3.726 1.00 0.00 C ATOM 434 OG SER A 33 -12.050 -13.031 -3.039 1.00 0.00 O ATOM 0 H SER A 33 -9.978 -13.920 -1.646 1.00 0.00 H new ATOM 0 HA SER A 33 -8.924 -12.095 -3.708 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.389 -11.239 -3.806 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.957 -12.656 -4.742 1.00 0.00 H new ATOM 0 HG SER A 33 -12.902 -12.971 -3.519 1.00 0.00 H new ATOM 440 N LEU A 34 -9.261 -10.111 -2.175 1.00 0.00 N ATOM 441 CA LEU A 34 -9.184 -9.049 -1.178 1.00 0.00 C ATOM 442 C LEU A 34 -9.256 -7.676 -1.839 1.00 0.00 C ATOM 443 O LEU A 34 -9.009 -7.539 -3.037 1.00 0.00 O ATOM 444 CB LEU A 34 -7.891 -9.172 -0.371 1.00 0.00 C ATOM 445 CG LEU A 34 -7.976 -10.001 0.911 1.00 0.00 C ATOM 446 CD1 LEU A 34 -6.644 -10.674 1.201 1.00 0.00 C ATOM 447 CD2 LEU A 34 -8.401 -9.128 2.083 1.00 0.00 C ATOM 0 H LEU A 34 -8.962 -9.834 -3.110 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.035 -9.154 -0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.126 -9.609 -1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.553 -8.169 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.728 -10.777 0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.724 -11.259 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.380 -11.331 0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.871 -9.915 1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.456 -9.734 2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.672 -8.330 2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.379 -8.694 1.877 1.00 0.00 H new ATOM 459 N ARG A 35 -9.594 -6.662 -1.049 1.00 0.00 N ATOM 460 CA ARG A 35 -9.697 -5.299 -1.557 1.00 0.00 C ATOM 461 C ARG A 35 -9.020 -4.313 -0.609 1.00 0.00 C ATOM 462 O ARG A 35 -9.614 -3.874 0.376 1.00 0.00 O ATOM 463 CB ARG A 35 -11.165 -4.913 -1.748 1.00 0.00 C ATOM 464 CG ARG A 35 -11.367 -3.731 -2.682 1.00 0.00 C ATOM 465 CD ARG A 35 -12.844 -3.457 -2.922 1.00 0.00 C ATOM 466 NE ARG A 35 -13.060 -2.610 -4.092 1.00 0.00 N ATOM 467 CZ ARG A 35 -14.176 -1.921 -4.305 1.00 0.00 C ATOM 468 NH1 ARG A 35 -15.170 -1.978 -3.430 1.00 0.00 N ATOM 469 NH2 ARG A 35 -14.297 -1.173 -5.393 1.00 0.00 N ATOM 0 H ARG A 35 -9.801 -6.758 -0.055 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.189 -5.258 -2.521 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.710 -5.772 -2.140 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.599 -4.676 -0.777 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.896 -2.845 -2.257 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.873 -3.929 -3.633 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.371 -4.402 -3.056 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.271 -2.976 -2.042 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.313 -2.544 -4.784 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.079 -2.551 -2.591 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.026 -1.448 -3.595 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.533 -1.126 -6.067 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.154 -0.644 -5.556 1.00 0.00 H new ATOM 483 N VAL A 36 -7.773 -3.969 -0.914 1.00 0.00 N ATOM 484 CA VAL A 36 -7.015 -3.035 -0.090 1.00 0.00 C ATOM 485 C VAL A 36 -7.261 -1.594 -0.525 1.00 0.00 C ATOM 486 O VAL A 36 -7.117 -1.256 -1.700 1.00 0.00 O ATOM 487 CB VAL A 36 -5.504 -3.328 -0.154 1.00 0.00 C ATOM 488 CG1 VAL A 36 -4.706 -2.126 0.328 1.00 0.00 C ATOM 489 CG2 VAL A 36 -5.167 -4.566 0.663 1.00 0.00 C ATOM 0 H VAL A 36 -7.266 -4.323 -1.725 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.360 -3.166 0.936 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.232 -3.521 -1.192 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.641 -2.352 0.276 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.926 -1.266 -0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.978 -1.898 1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.096 -4.759 0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.453 -4.405 1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.711 -5.423 0.266 1.00 0.00 H new ATOM 499 N SER A 37 -7.632 -0.749 0.431 1.00 0.00 N ATOM 500 CA SER A 37 -7.901 0.656 0.147 1.00 0.00 C ATOM 501 C SER A 37 -7.178 1.560 1.140 1.00 0.00 C ATOM 502 O SER A 37 -7.220 1.331 2.349 1.00 0.00 O ATOM 503 CB SER A 37 -9.406 0.928 0.194 1.00 0.00 C ATOM 504 OG SER A 37 -9.688 2.285 -0.102 1.00 0.00 O ATOM 0 H SER A 37 -7.753 -1.012 1.409 1.00 0.00 H new ATOM 0 HA SER A 37 -7.530 0.876 -0.854 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.918 0.283 -0.520 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.793 0.680 1.182 1.00 0.00 H new ATOM 0 HG SER A 37 -9.041 2.618 -0.759 1.00 0.00 H new ATOM 510 N TRP A 38 -6.514 2.586 0.621 1.00 0.00 N ATOM 511 CA TRP A 38 -5.780 3.526 1.461 1.00 0.00 C ATOM 512 C TRP A 38 -6.318 4.942 1.293 1.00 0.00 C ATOM 513 O TRP A 38 -7.314 5.159 0.602 1.00 0.00 O ATOM 514 CB TRP A 38 -4.289 3.489 1.121 1.00 0.00 C ATOM 515 CG TRP A 38 -4.013 3.592 -0.348 1.00 0.00 C ATOM 516 CD1 TRP A 38 -3.558 4.689 -1.022 1.00 0.00 C ATOM 517 CD2 TRP A 38 -4.175 2.557 -1.325 1.00 0.00 C ATOM 518 NE1 TRP A 38 -3.428 4.399 -2.359 1.00 0.00 N ATOM 519 CE2 TRP A 38 -3.800 3.098 -2.571 1.00 0.00 C ATOM 520 CE3 TRP A 38 -4.599 1.227 -1.269 1.00 0.00 C ATOM 521 CZ2 TRP A 38 -3.837 2.353 -3.747 1.00 0.00 C ATOM 522 CZ3 TRP A 38 -4.637 0.490 -2.437 1.00 0.00 C ATOM 523 CH2 TRP A 38 -4.257 1.054 -3.662 1.00 0.00 C ATOM 0 H TRP A 38 -6.468 2.789 -0.378 1.00 0.00 H new ATOM 0 HA TRP A 38 -5.916 3.228 2.501 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -3.786 4.307 1.636 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.860 2.561 1.500 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.333 5.644 -0.571 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.106 5.048 -3.077 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -4.892 0.783 -0.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.545 2.785 -4.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.965 -0.538 -2.405 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.296 0.451 -4.557 1.00 0.00 H new ATOM 534 N GLN A 39 -5.654 5.903 1.928 1.00 0.00 N ATOM 535 CA GLN A 39 -6.068 7.298 1.847 1.00 0.00 C ATOM 536 C GLN A 39 -4.977 8.153 1.210 1.00 0.00 C ATOM 537 O GLN A 39 -3.821 8.116 1.630 1.00 0.00 O ATOM 538 CB GLN A 39 -6.403 7.834 3.240 1.00 0.00 C ATOM 539 CG GLN A 39 -7.303 9.059 3.220 1.00 0.00 C ATOM 540 CD GLN A 39 -8.743 8.720 2.884 1.00 0.00 C ATOM 541 OE1 GLN A 39 -9.168 7.572 3.011 1.00 0.00 O ATOM 542 NE2 GLN A 39 -9.501 9.721 2.454 1.00 0.00 N ATOM 0 H GLN A 39 -4.828 5.741 2.504 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.959 7.351 1.221 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.888 7.046 3.816 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.476 8.083 3.757 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.266 9.548 4.193 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.922 9.773 2.490 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -9.106 10.657 2.364 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.478 9.554 2.214 1.00 0.00 H new ATOM 551 N GLU A 40 -5.353 8.923 0.193 1.00 0.00 N ATOM 552 CA GLU A 40 -4.406 9.786 -0.503 1.00 0.00 C ATOM 553 C GLU A 40 -3.618 10.638 0.488 1.00 0.00 C ATOM 554 O GLU A 40 -4.137 11.584 1.082 1.00 0.00 O ATOM 555 CB GLU A 40 -5.139 10.687 -1.498 1.00 0.00 C ATOM 556 CG GLU A 40 -4.209 11.484 -2.397 1.00 0.00 C ATOM 557 CD GLU A 40 -4.899 11.989 -3.649 1.00 0.00 C ATOM 558 OE1 GLU A 40 -5.589 13.027 -3.568 1.00 0.00 O ATOM 559 OE2 GLU A 40 -4.749 11.348 -4.710 1.00 0.00 O ATOM 0 H GLU A 40 -6.306 8.966 -0.167 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.706 9.151 -1.047 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.792 10.073 -2.118 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.778 11.377 -0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.809 12.331 -1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.361 10.860 -2.680 1.00 0.00 H new ATOM 566 N PRO A 41 -2.334 10.297 0.671 1.00 0.00 N ATOM 567 CA PRO A 41 -1.447 11.018 1.589 1.00 0.00 C ATOM 568 C PRO A 41 -1.105 12.416 1.086 1.00 0.00 C ATOM 569 O PRO A 41 -1.451 12.784 -0.037 1.00 0.00 O ATOM 570 CB PRO A 41 -0.192 10.143 1.630 1.00 0.00 C ATOM 571 CG PRO A 41 -0.202 9.406 0.335 1.00 0.00 C ATOM 572 CD PRO A 41 -1.650 9.181 -0.003 1.00 0.00 C ATOM 0 HA PRO A 41 -1.908 11.172 2.565 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.709 10.748 1.735 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.215 9.457 2.476 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.296 9.982 -0.445 1.00 0.00 H new ATOM 0 HG3 PRO A 41 0.330 8.459 0.421 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.819 9.198 -1.080 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.002 8.215 0.360 1.00 0.00 H new ATOM 580 N ARG A 42 -0.425 13.191 1.924 1.00 0.00 N ATOM 581 CA ARG A 42 -0.037 14.550 1.564 1.00 0.00 C ATOM 582 C ARG A 42 1.178 14.542 0.641 1.00 0.00 C ATOM 583 O ARG A 42 2.118 13.771 0.841 1.00 0.00 O ATOM 584 CB ARG A 42 0.270 15.365 2.821 1.00 0.00 C ATOM 585 CG ARG A 42 1.463 14.846 3.608 1.00 0.00 C ATOM 586 CD ARG A 42 1.991 15.894 4.575 1.00 0.00 C ATOM 587 NE ARG A 42 0.999 16.258 5.583 1.00 0.00 N ATOM 588 CZ ARG A 42 1.308 16.788 6.761 1.00 0.00 C ATOM 589 NH1 ARG A 42 2.576 17.016 7.077 1.00 0.00 N ATOM 590 NH2 ARG A 42 0.349 17.093 7.625 1.00 0.00 N ATOM 0 H ARG A 42 -0.131 12.902 2.857 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.871 15.011 1.035 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.456 16.400 2.536 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -0.608 15.365 3.467 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.175 13.952 4.161 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.255 14.553 2.919 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.886 15.514 5.068 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.286 16.784 4.019 1.00 0.00 H new ATOM 0 HE ARG A 42 0.015 16.096 5.371 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.316 16.784 6.415 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.811 17.423 7.982 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.627 16.921 7.385 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.588 17.500 8.529 1.00 0.00 H new ATOM 604 N CYS A 43 1.151 15.403 -0.370 1.00 0.00 N ATOM 605 CA CYS A 43 2.249 15.495 -1.326 1.00 0.00 C ATOM 606 C CYS A 43 2.155 16.780 -2.141 1.00 0.00 C ATOM 607 O CYS A 43 1.262 16.933 -2.974 1.00 0.00 O ATOM 608 CB CYS A 43 2.243 14.283 -2.259 1.00 0.00 C ATOM 609 SG CYS A 43 0.728 14.106 -3.229 1.00 0.00 S ATOM 0 H CYS A 43 0.381 16.047 -0.549 1.00 0.00 H new ATOM 0 HA CYS A 43 3.184 15.509 -0.767 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.091 14.358 -2.940 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.389 13.380 -1.666 1.00 0.00 H new ATOM 0 HG CYS A 43 0.954 14.468 -4.457 1.00 0.00 H new ATOM 615 N GLU A 44 3.081 17.701 -1.894 1.00 0.00 N ATOM 616 CA GLU A 44 3.100 18.974 -2.604 1.00 0.00 C ATOM 617 C GLU A 44 3.068 18.756 -4.114 1.00 0.00 C ATOM 618 O GLU A 44 2.632 19.625 -4.869 1.00 0.00 O ATOM 619 CB GLU A 44 4.343 19.779 -2.221 1.00 0.00 C ATOM 620 CG GLU A 44 4.174 20.590 -0.946 1.00 0.00 C ATOM 621 CD GLU A 44 5.468 21.234 -0.489 1.00 0.00 C ATOM 622 OE1 GLU A 44 5.992 22.100 -1.220 1.00 0.00 O ATOM 623 OE2 GLU A 44 5.957 20.872 0.602 1.00 0.00 O ATOM 0 H GLU A 44 3.827 17.589 -1.208 1.00 0.00 H new ATOM 0 HA GLU A 44 2.210 19.534 -2.316 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.184 19.097 -2.099 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.596 20.453 -3.040 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.425 21.365 -1.109 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.796 19.942 -0.155 1.00 0.00 H new ATOM 630 N ARG A 45 3.534 17.589 -4.547 1.00 0.00 N ATOM 631 CA ARG A 45 3.561 17.256 -5.966 1.00 0.00 C ATOM 632 C ARG A 45 2.474 16.241 -6.308 1.00 0.00 C ATOM 633 O ARG A 45 2.051 15.443 -5.471 1.00 0.00 O ATOM 634 CB ARG A 45 4.932 16.700 -6.356 1.00 0.00 C ATOM 635 CG ARG A 45 6.090 17.598 -5.952 1.00 0.00 C ATOM 636 CD ARG A 45 6.072 18.910 -6.721 1.00 0.00 C ATOM 637 NE ARG A 45 7.273 19.705 -6.476 1.00 0.00 N ATOM 638 CZ ARG A 45 7.393 20.981 -6.826 1.00 0.00 C ATOM 639 NH1 ARG A 45 6.392 21.603 -7.432 1.00 0.00 N ATOM 640 NH2 ARG A 45 8.518 21.637 -6.569 1.00 0.00 N ATOM 0 H ARG A 45 3.898 16.858 -3.935 1.00 0.00 H new ATOM 0 HA ARG A 45 3.372 18.169 -6.530 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.063 15.722 -5.893 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.960 16.549 -7.435 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.038 17.801 -4.882 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.033 17.082 -6.133 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.985 18.704 -7.788 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.192 19.486 -6.435 1.00 0.00 H new ATOM 0 HE ARG A 45 8.062 19.256 -6.011 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.526 21.102 -7.631 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.487 22.583 -7.699 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.291 21.161 -6.103 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.610 22.617 -6.838 1.00 0.00 H new ATOM 654 N PRO A 46 2.009 16.272 -7.565 1.00 0.00 N ATOM 655 CA PRO A 46 0.965 15.362 -8.046 1.00 0.00 C ATOM 656 C PRO A 46 1.457 13.924 -8.159 1.00 0.00 C ATOM 657 O PRO A 46 2.516 13.662 -8.732 1.00 0.00 O ATOM 658 CB PRO A 46 0.618 15.919 -9.429 1.00 0.00 C ATOM 659 CG PRO A 46 1.847 16.640 -9.866 1.00 0.00 C ATOM 660 CD PRO A 46 2.467 17.198 -8.615 1.00 0.00 C ATOM 0 HA PRO A 46 0.116 15.319 -7.364 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.359 15.120 -10.124 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.239 16.590 -9.382 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.535 15.965 -10.375 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.603 17.436 -10.569 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.555 17.223 -8.682 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.136 18.219 -8.423 1.00 0.00 H new ATOM 668 N LEU A 47 0.683 12.994 -7.612 1.00 0.00 N ATOM 669 CA LEU A 47 1.040 11.580 -7.652 1.00 0.00 C ATOM 670 C LEU A 47 0.809 10.999 -9.043 1.00 0.00 C ATOM 671 O LEU A 47 -0.101 11.419 -9.757 1.00 0.00 O ATOM 672 CB LEU A 47 0.227 10.798 -6.619 1.00 0.00 C ATOM 673 CG LEU A 47 0.225 11.365 -5.198 1.00 0.00 C ATOM 674 CD1 LEU A 47 -1.001 10.887 -4.435 1.00 0.00 C ATOM 675 CD2 LEU A 47 1.499 10.971 -4.465 1.00 0.00 C ATOM 0 H LEU A 47 -0.196 13.193 -7.135 1.00 0.00 H new ATOM 0 HA LEU A 47 2.100 11.492 -7.413 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.804 10.739 -6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.610 9.778 -6.581 1.00 0.00 H new ATOM 0 HG LEU A 47 0.188 12.453 -5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.986 11.300 -3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.902 11.220 -4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.995 9.798 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.480 11.383 -3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.567 9.884 -4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.363 11.363 -5.001 1.00 0.00 H new ATOM 687 N GLN A 48 1.637 10.030 -9.419 1.00 0.00 N ATOM 688 CA GLN A 48 1.521 9.391 -10.725 1.00 0.00 C ATOM 689 C GLN A 48 0.785 8.059 -10.615 1.00 0.00 C ATOM 690 O GLN A 48 0.136 7.618 -11.563 1.00 0.00 O ATOM 691 CB GLN A 48 2.907 9.172 -11.334 1.00 0.00 C ATOM 692 CG GLN A 48 3.549 10.446 -11.859 1.00 0.00 C ATOM 693 CD GLN A 48 5.056 10.334 -11.977 1.00 0.00 C ATOM 694 OE1 GLN A 48 5.615 9.238 -11.923 1.00 0.00 O ATOM 695 NE2 GLN A 48 5.723 11.471 -12.139 1.00 0.00 N ATOM 0 H GLN A 48 2.395 9.670 -8.839 1.00 0.00 H new ATOM 0 HA GLN A 48 0.946 10.051 -11.375 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.560 8.730 -10.581 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.827 8.453 -12.149 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.129 10.684 -12.836 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.301 11.274 -11.195 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.219 12.357 -12.178 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.739 11.458 -12.224 1.00 0.00 H new ATOM 704 N GLY A 49 0.890 7.424 -9.452 1.00 0.00 N ATOM 705 CA GLY A 49 0.229 6.150 -9.240 1.00 0.00 C ATOM 706 C GLY A 49 0.407 5.632 -7.827 1.00 0.00 C ATOM 707 O GLY A 49 0.609 6.410 -6.894 1.00 0.00 O ATOM 0 H GLY A 49 1.421 7.769 -8.653 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.835 6.256 -9.453 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.624 5.418 -9.944 1.00 0.00 H new ATOM 711 N TYR A 50 0.331 4.315 -7.667 1.00 0.00 N ATOM 712 CA TYR A 50 0.481 3.694 -6.356 1.00 0.00 C ATOM 713 C TYR A 50 1.061 2.289 -6.482 1.00 0.00 C ATOM 714 O TYR A 50 0.961 1.656 -7.533 1.00 0.00 O ATOM 715 CB TYR A 50 -0.868 3.639 -5.638 1.00 0.00 C ATOM 716 CG TYR A 50 -1.256 4.943 -4.977 1.00 0.00 C ATOM 717 CD1 TYR A 50 -1.922 5.933 -5.688 1.00 0.00 C ATOM 718 CD2 TYR A 50 -0.957 5.184 -3.642 1.00 0.00 C ATOM 719 CE1 TYR A 50 -2.278 7.126 -5.089 1.00 0.00 C ATOM 720 CE2 TYR A 50 -1.310 6.373 -3.034 1.00 0.00 C ATOM 721 CZ TYR A 50 -1.970 7.341 -3.762 1.00 0.00 C ATOM 722 OH TYR A 50 -2.324 8.527 -3.161 1.00 0.00 O ATOM 0 H TYR A 50 0.166 3.657 -8.429 1.00 0.00 H new ATOM 0 HA TYR A 50 1.172 4.301 -5.771 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.641 3.361 -6.355 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.836 2.854 -4.883 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.166 5.767 -6.727 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.439 4.429 -3.069 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.795 7.886 -5.657 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.071 6.544 -1.995 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.297 8.636 -3.201 1.00 0.00 H new ATOM 732 N SER A 51 1.667 1.807 -5.402 1.00 0.00 N ATOM 733 CA SER A 51 2.267 0.478 -5.391 1.00 0.00 C ATOM 734 C SER A 51 1.796 -0.320 -4.179 1.00 0.00 C ATOM 735 O SER A 51 1.993 0.092 -3.035 1.00 0.00 O ATOM 736 CB SER A 51 3.793 0.583 -5.386 1.00 0.00 C ATOM 737 OG SER A 51 4.313 0.524 -6.702 1.00 0.00 O ATOM 0 H SER A 51 1.756 2.317 -4.523 1.00 0.00 H new ATOM 0 HA SER A 51 1.950 -0.044 -6.294 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.095 1.518 -4.914 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.214 -0.226 -4.789 1.00 0.00 H new ATOM 0 HG SER A 51 4.647 1.408 -6.962 1.00 0.00 H new ATOM 743 N VAL A 52 1.173 -1.466 -4.437 1.00 0.00 N ATOM 744 CA VAL A 52 0.675 -2.323 -3.369 1.00 0.00 C ATOM 745 C VAL A 52 1.416 -3.656 -3.343 1.00 0.00 C ATOM 746 O VAL A 52 1.123 -4.554 -4.131 1.00 0.00 O ATOM 747 CB VAL A 52 -0.834 -2.590 -3.521 1.00 0.00 C ATOM 748 CG1 VAL A 52 -1.351 -3.415 -2.352 1.00 0.00 C ATOM 749 CG2 VAL A 52 -1.597 -1.279 -3.637 1.00 0.00 C ATOM 0 H VAL A 52 1.001 -1.822 -5.377 1.00 0.00 H new ATOM 0 HA VAL A 52 0.850 -1.795 -2.432 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.994 -3.160 -4.436 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.419 -3.594 -2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.825 -4.369 -2.319 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.180 -2.874 -1.421 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.662 -1.486 -3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.432 -0.681 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.245 -0.729 -4.510 1.00 0.00 H new ATOM 759 N GLU A 53 2.375 -3.776 -2.431 1.00 0.00 N ATOM 760 CA GLU A 53 3.158 -4.999 -2.303 1.00 0.00 C ATOM 761 C GLU A 53 2.607 -5.884 -1.188 1.00 0.00 C ATOM 762 O GLU A 53 2.365 -5.419 -0.074 1.00 0.00 O ATOM 763 CB GLU A 53 4.625 -4.666 -2.026 1.00 0.00 C ATOM 764 CG GLU A 53 5.450 -4.454 -3.284 1.00 0.00 C ATOM 765 CD GLU A 53 6.712 -3.655 -3.027 1.00 0.00 C ATOM 766 OE1 GLU A 53 6.640 -2.408 -3.049 1.00 0.00 O ATOM 767 OE2 GLU A 53 7.772 -4.275 -2.803 1.00 0.00 O ATOM 0 H GLU A 53 2.628 -3.042 -1.770 1.00 0.00 H new ATOM 0 HA GLU A 53 3.088 -5.544 -3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.675 -3.766 -1.413 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.068 -5.473 -1.443 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.718 -5.423 -3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.844 -3.939 -4.029 1.00 0.00 H new ATOM 774 N TYR A 54 2.410 -7.161 -1.497 1.00 0.00 N ATOM 775 CA TYR A 54 1.884 -8.110 -0.524 1.00 0.00 C ATOM 776 C TYR A 54 2.651 -9.428 -0.579 1.00 0.00 C ATOM 777 O TYR A 54 3.073 -9.868 -1.648 1.00 0.00 O ATOM 778 CB TYR A 54 0.397 -8.362 -0.777 1.00 0.00 C ATOM 779 CG TYR A 54 0.128 -9.261 -1.963 1.00 0.00 C ATOM 780 CD1 TYR A 54 0.362 -10.629 -1.889 1.00 0.00 C ATOM 781 CD2 TYR A 54 -0.358 -8.744 -3.156 1.00 0.00 C ATOM 782 CE1 TYR A 54 0.119 -11.455 -2.969 1.00 0.00 C ATOM 783 CE2 TYR A 54 -0.606 -9.562 -4.242 1.00 0.00 C ATOM 784 CZ TYR A 54 -0.365 -10.917 -4.143 1.00 0.00 C ATOM 785 OH TYR A 54 -0.609 -11.735 -5.222 1.00 0.00 O ATOM 0 H TYR A 54 2.607 -7.562 -2.414 1.00 0.00 H new ATOM 0 HA TYR A 54 2.008 -7.679 0.469 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.044 -8.809 0.114 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.103 -7.406 -0.935 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.740 -11.054 -0.971 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.546 -7.684 -3.237 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.307 -12.516 -2.895 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.986 -9.143 -5.162 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.948 -11.199 -5.969 1.00 0.00 H new ATOM 795 N GLN A 55 2.826 -10.052 0.581 1.00 0.00 N ATOM 796 CA GLN A 55 3.542 -11.320 0.665 1.00 0.00 C ATOM 797 C GLN A 55 3.247 -12.025 1.985 1.00 0.00 C ATOM 798 O GLN A 55 2.939 -11.381 2.990 1.00 0.00 O ATOM 799 CB GLN A 55 5.047 -11.090 0.521 1.00 0.00 C ATOM 800 CG GLN A 55 5.744 -10.782 1.837 1.00 0.00 C ATOM 801 CD GLN A 55 7.194 -10.381 1.649 1.00 0.00 C ATOM 802 OE1 GLN A 55 7.640 -9.358 2.169 1.00 0.00 O ATOM 803 NE2 GLN A 55 7.940 -11.187 0.902 1.00 0.00 N ATOM 0 H GLN A 55 2.482 -9.701 1.475 1.00 0.00 H new ATOM 0 HA GLN A 55 3.199 -11.957 -0.150 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.501 -11.976 0.078 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.216 -10.265 -0.172 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.212 -9.979 2.346 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.694 -11.658 2.484 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.530 -12.025 0.490 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.923 -10.968 0.741 1.00 0.00 H new ATOM 812 N LEU A 56 3.344 -13.350 1.977 1.00 0.00 N ATOM 813 CA LEU A 56 3.087 -14.143 3.174 1.00 0.00 C ATOM 814 C LEU A 56 3.780 -13.535 4.389 1.00 0.00 C ATOM 815 O LEU A 56 5.009 -13.489 4.458 1.00 0.00 O ATOM 816 CB LEU A 56 3.563 -15.582 2.968 1.00 0.00 C ATOM 817 CG LEU A 56 2.651 -16.477 2.129 1.00 0.00 C ATOM 818 CD1 LEU A 56 3.383 -17.743 1.712 1.00 0.00 C ATOM 819 CD2 LEU A 56 1.384 -16.820 2.899 1.00 0.00 C ATOM 0 H LEU A 56 3.599 -13.898 1.155 1.00 0.00 H new ATOM 0 HA LEU A 56 2.012 -14.145 3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.545 -15.555 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.692 -16.044 3.947 1.00 0.00 H new ATOM 0 HG LEU A 56 2.368 -15.932 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.718 -18.368 1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.260 -17.478 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.696 -18.291 2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.747 -17.458 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.647 -17.345 3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.849 -15.903 3.146 1.00 0.00 H new ATOM 831 N LEU A 57 2.985 -13.071 5.347 1.00 0.00 N ATOM 832 CA LEU A 57 3.522 -12.467 6.562 1.00 0.00 C ATOM 833 C LEU A 57 4.689 -13.284 7.106 1.00 0.00 C ATOM 834 O LEU A 57 5.696 -12.731 7.546 1.00 0.00 O ATOM 835 CB LEU A 57 2.427 -12.351 7.624 1.00 0.00 C ATOM 836 CG LEU A 57 2.788 -11.549 8.875 1.00 0.00 C ATOM 837 CD1 LEU A 57 2.911 -10.070 8.543 1.00 0.00 C ATOM 838 CD2 LEU A 57 1.751 -11.768 9.966 1.00 0.00 C ATOM 0 H LEU A 57 1.966 -13.101 5.306 1.00 0.00 H new ATOM 0 HA LEU A 57 3.885 -11.470 6.313 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.550 -11.895 7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.139 -13.356 7.932 1.00 0.00 H new ATOM 0 HG LEU A 57 3.752 -11.899 9.243 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.168 -9.515 9.445 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.691 -9.929 7.795 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.962 -9.705 8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.024 -11.190 10.849 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.773 -11.445 9.609 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.712 -12.826 10.223 1.00 0.00 H new ATOM 850 N ASN A 58 4.547 -14.605 7.071 1.00 0.00 N ATOM 851 CA ASN A 58 5.591 -15.500 7.559 1.00 0.00 C ATOM 852 C ASN A 58 6.834 -15.416 6.678 1.00 0.00 C ATOM 853 O ASN A 58 7.960 -15.413 7.174 1.00 0.00 O ATOM 854 CB ASN A 58 5.078 -16.941 7.601 1.00 0.00 C ATOM 855 CG ASN A 58 4.558 -17.409 6.256 1.00 0.00 C ATOM 856 OD1 ASN A 58 5.333 -17.753 5.364 1.00 0.00 O ATOM 857 ND2 ASN A 58 3.239 -17.424 6.105 1.00 0.00 N ATOM 0 H ASN A 58 3.720 -15.080 6.710 1.00 0.00 H new ATOM 0 HA ASN A 58 5.860 -15.188 8.568 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.882 -17.601 7.926 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.283 -17.019 8.342 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.830 -17.730 5.222 1.00 0.00 H new ATOM 0 HD22 ASN A 58 2.634 -17.130 6.872 1.00 0.00 H new ATOM 864 N GLY A 59 6.621 -15.349 5.368 1.00 0.00 N ATOM 865 CA GLY A 59 7.733 -15.266 4.439 1.00 0.00 C ATOM 866 C GLY A 59 7.544 -16.156 3.227 1.00 0.00 C ATOM 867 O GLY A 59 7.900 -17.333 3.251 1.00 0.00 O ATOM 0 H GLY A 59 5.698 -15.351 4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.853 -14.233 4.112 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.653 -15.547 4.952 1.00 0.00 H new ATOM 871 N GLY A 60 6.979 -15.593 2.163 1.00 0.00 N ATOM 872 CA GLY A 60 6.750 -16.359 0.951 1.00 0.00 C ATOM 873 C GLY A 60 7.063 -15.567 -0.303 1.00 0.00 C ATOM 874 O GLY A 60 8.115 -14.935 -0.398 1.00 0.00 O ATOM 0 H GLY A 60 6.676 -14.620 2.119 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.365 -17.259 0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.710 -16.684 0.921 1.00 0.00 H new ATOM 878 N GLU A 61 6.149 -15.603 -1.267 1.00 0.00 N ATOM 879 CA GLU A 61 6.336 -14.885 -2.523 1.00 0.00 C ATOM 880 C GLU A 61 5.825 -13.452 -2.410 1.00 0.00 C ATOM 881 O GLU A 61 4.767 -13.201 -1.831 1.00 0.00 O ATOM 882 CB GLU A 61 5.613 -15.608 -3.661 1.00 0.00 C ATOM 883 CG GLU A 61 6.149 -15.260 -5.040 1.00 0.00 C ATOM 884 CD GLU A 61 5.791 -16.299 -6.084 1.00 0.00 C ATOM 885 OE1 GLU A 61 6.260 -17.450 -5.961 1.00 0.00 O ATOM 886 OE2 GLU A 61 5.042 -15.962 -7.025 1.00 0.00 O ATOM 0 H GLU A 61 5.273 -16.121 -1.203 1.00 0.00 H new ATOM 0 HA GLU A 61 7.404 -14.856 -2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.697 -16.684 -3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.552 -15.363 -3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.753 -14.292 -5.346 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.233 -15.160 -4.990 1.00 0.00 H new ATOM 893 N LEU A 62 6.583 -12.514 -2.968 1.00 0.00 N ATOM 894 CA LEU A 62 6.209 -11.105 -2.930 1.00 0.00 C ATOM 895 C LEU A 62 5.630 -10.660 -4.269 1.00 0.00 C ATOM 896 O LEU A 62 6.248 -10.847 -5.318 1.00 0.00 O ATOM 897 CB LEU A 62 7.422 -10.244 -2.575 1.00 0.00 C ATOM 898 CG LEU A 62 7.200 -8.731 -2.593 1.00 0.00 C ATOM 899 CD1 LEU A 62 7.039 -8.233 -4.021 1.00 0.00 C ATOM 900 CD2 LEU A 62 5.985 -8.360 -1.756 1.00 0.00 C ATOM 0 H LEU A 62 7.460 -12.704 -3.452 1.00 0.00 H new ATOM 0 HA LEU A 62 5.445 -10.978 -2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.766 -10.529 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.227 -10.481 -3.271 1.00 0.00 H new ATOM 0 HG LEU A 62 8.076 -8.249 -2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.882 -7.154 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.939 -8.465 -4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.181 -8.722 -4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.842 -7.280 -1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.100 -8.852 -2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.140 -8.682 -0.726 1.00 0.00 H new ATOM 912 N HIS A 63 4.441 -10.067 -4.226 1.00 0.00 N ATOM 913 CA HIS A 63 3.779 -9.592 -5.436 1.00 0.00 C ATOM 914 C HIS A 63 3.623 -8.075 -5.410 1.00 0.00 C ATOM 915 O HIS A 63 3.009 -7.520 -4.499 1.00 0.00 O ATOM 916 CB HIS A 63 2.409 -10.254 -5.588 1.00 0.00 C ATOM 917 CG HIS A 63 2.481 -11.734 -5.806 1.00 0.00 C ATOM 918 ND1 HIS A 63 1.908 -12.363 -6.891 1.00 0.00 N ATOM 919 CD2 HIS A 63 3.064 -12.711 -5.072 1.00 0.00 C ATOM 920 CE1 HIS A 63 2.134 -13.663 -6.814 1.00 0.00 C ATOM 921 NE2 HIS A 63 2.834 -13.900 -5.719 1.00 0.00 N ATOM 0 H HIS A 63 3.916 -9.904 -3.367 1.00 0.00 H new ATOM 0 HA HIS A 63 4.401 -9.862 -6.290 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.817 -10.055 -4.695 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.884 -9.796 -6.427 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.609 -12.579 -4.149 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.803 -14.405 -7.525 1.00 0.00 H new ATOM 0 HE2 HIS A 63 3.152 -14.817 -5.405 1.00 0.00 H new ATOM 929 N ARG A 64 4.183 -7.410 -6.415 1.00 0.00 N ATOM 930 CA ARG A 64 4.108 -5.957 -6.506 1.00 0.00 C ATOM 931 C ARG A 64 3.016 -5.529 -7.482 1.00 0.00 C ATOM 932 O ARG A 64 3.037 -5.901 -8.656 1.00 0.00 O ATOM 933 CB ARG A 64 5.456 -5.381 -6.947 1.00 0.00 C ATOM 934 CG ARG A 64 5.500 -3.862 -6.943 1.00 0.00 C ATOM 935 CD ARG A 64 6.754 -3.340 -7.626 1.00 0.00 C ATOM 936 NE ARG A 64 6.672 -3.450 -9.080 1.00 0.00 N ATOM 937 CZ ARG A 64 7.683 -3.173 -9.896 1.00 0.00 C ATOM 938 NH1 ARG A 64 8.847 -2.773 -9.404 1.00 0.00 N ATOM 939 NH2 ARG A 64 7.530 -3.298 -11.209 1.00 0.00 N ATOM 0 H ARG A 64 4.694 -7.854 -7.178 1.00 0.00 H new ATOM 0 HA ARG A 64 3.861 -5.569 -5.518 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.237 -5.760 -6.288 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.684 -5.740 -7.951 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.618 -3.470 -7.450 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.465 -3.498 -5.916 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.910 -2.297 -7.350 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.620 -3.897 -7.269 1.00 0.00 H new ATOM 0 HE ARG A 64 5.790 -3.756 -9.491 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.969 -2.677 -8.396 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.621 -2.561 -10.034 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.636 -3.607 -11.591 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.306 -3.085 -11.835 1.00 0.00 H new ATOM 953 N LEU A 65 2.064 -4.745 -6.990 1.00 0.00 N ATOM 954 CA LEU A 65 0.962 -4.266 -7.818 1.00 0.00 C ATOM 955 C LEU A 65 1.094 -2.770 -8.087 1.00 0.00 C ATOM 956 O LEU A 65 1.109 -1.962 -7.160 1.00 0.00 O ATOM 957 CB LEU A 65 -0.377 -4.558 -7.138 1.00 0.00 C ATOM 958 CG LEU A 65 -0.617 -6.010 -6.725 1.00 0.00 C ATOM 959 CD1 LEU A 65 -1.844 -6.114 -5.832 1.00 0.00 C ATOM 960 CD2 LEU A 65 -0.773 -6.895 -7.953 1.00 0.00 C ATOM 0 H LEU A 65 2.032 -4.427 -6.021 1.00 0.00 H new ATOM 0 HA LEU A 65 1.000 -4.793 -8.772 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.455 -3.931 -6.250 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.178 -4.256 -7.813 1.00 0.00 H new ATOM 0 HG LEU A 65 0.249 -6.355 -6.161 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.000 -7.155 -5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.694 -5.511 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.719 -5.750 -6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.943 -7.925 -7.640 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.621 -6.551 -8.544 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.134 -6.844 -8.556 1.00 0.00 H new ATOM 972 N ASN A 66 1.187 -2.410 -9.363 1.00 0.00 N ATOM 973 CA ASN A 66 1.315 -1.011 -9.755 1.00 0.00 C ATOM 974 C ASN A 66 -0.041 -0.427 -10.140 1.00 0.00 C ATOM 975 O ASN A 66 -0.869 -1.105 -10.750 1.00 0.00 O ATOM 976 CB ASN A 66 2.292 -0.875 -10.924 1.00 0.00 C ATOM 977 CG ASN A 66 3.724 -1.167 -10.518 1.00 0.00 C ATOM 978 OD1 ASN A 66 4.381 -0.342 -9.883 1.00 0.00 O ATOM 979 ND2 ASN A 66 4.214 -2.346 -10.884 1.00 0.00 N ATOM 0 H ASN A 66 1.176 -3.067 -10.143 1.00 0.00 H new ATOM 0 HA ASN A 66 1.701 -0.454 -8.901 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.997 -1.557 -11.722 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.231 0.135 -11.329 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.171 -2.599 -10.639 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.633 -2.999 -11.410 1.00 0.00 H new ATOM 986 N ILE A 67 -0.260 0.833 -9.781 1.00 0.00 N ATOM 987 CA ILE A 67 -1.515 1.508 -10.090 1.00 0.00 C ATOM 988 C ILE A 67 -1.302 2.624 -11.107 1.00 0.00 C ATOM 989 O ILE A 67 -0.739 3.676 -10.802 1.00 0.00 O ATOM 990 CB ILE A 67 -2.164 2.098 -8.825 1.00 0.00 C ATOM 991 CG1 ILE A 67 -2.093 1.093 -7.673 1.00 0.00 C ATOM 992 CG2 ILE A 67 -3.607 2.491 -9.103 1.00 0.00 C ATOM 993 CD1 ILE A 67 -2.980 -0.116 -7.870 1.00 0.00 C ATOM 0 H ILE A 67 0.415 1.407 -9.276 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.182 0.756 -10.513 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.613 2.993 -8.537 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.062 0.761 -7.554 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.375 1.594 -6.747 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.052 2.906 -8.199 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.634 3.238 -9.897 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.170 1.611 -9.413 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.879 -0.785 -7.015 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.018 0.205 -7.959 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.684 -0.641 -8.778 1.00 0.00 H new ATOM 1005 N PRO A 68 -1.763 2.393 -12.345 1.00 0.00 N ATOM 1006 CA PRO A 68 -1.637 3.369 -13.431 1.00 0.00 C ATOM 1007 C PRO A 68 -2.527 4.589 -13.221 1.00 0.00 C ATOM 1008 O PRO A 68 -2.589 5.478 -14.070 1.00 0.00 O ATOM 1009 CB PRO A 68 -2.088 2.585 -14.666 1.00 0.00 C ATOM 1010 CG PRO A 68 -2.988 1.524 -14.134 1.00 0.00 C ATOM 1011 CD PRO A 68 -2.445 1.162 -12.779 1.00 0.00 C ATOM 0 HA PRO A 68 -0.625 3.766 -13.507 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.610 3.228 -15.374 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.237 2.154 -15.194 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -4.014 1.884 -14.060 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.001 0.656 -14.794 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.241 0.879 -12.090 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.756 0.319 -12.834 1.00 0.00 H new ATOM 1019 N ASN A 69 -3.215 4.626 -12.084 1.00 0.00 N ATOM 1020 CA ASN A 69 -4.102 5.738 -11.763 1.00 0.00 C ATOM 1021 C ASN A 69 -3.812 6.279 -10.366 1.00 0.00 C ATOM 1022 O ASN A 69 -4.015 5.603 -9.357 1.00 0.00 O ATOM 1023 CB ASN A 69 -5.564 5.295 -11.857 1.00 0.00 C ATOM 1024 CG ASN A 69 -6.506 6.458 -12.103 1.00 0.00 C ATOM 1025 OD1 ASN A 69 -6.095 7.511 -12.590 1.00 0.00 O ATOM 1026 ND2 ASN A 69 -7.776 6.271 -11.767 1.00 0.00 N ATOM 0 H ASN A 69 -3.175 3.899 -11.370 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.923 6.534 -12.486 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.670 4.569 -12.663 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.848 4.790 -10.934 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.456 7.017 -11.910 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -8.072 5.381 -11.366 1.00 0.00 H new ATOM 1033 N PRO A 70 -3.326 7.528 -10.305 1.00 0.00 N ATOM 1034 CA PRO A 70 -2.999 8.188 -9.038 1.00 0.00 C ATOM 1035 C PRO A 70 -4.242 8.527 -8.222 1.00 0.00 C ATOM 1036 O PRO A 70 -4.145 8.946 -7.070 1.00 0.00 O ATOM 1037 CB PRO A 70 -2.284 9.468 -9.479 1.00 0.00 C ATOM 1038 CG PRO A 70 -2.802 9.738 -10.850 1.00 0.00 C ATOM 1039 CD PRO A 70 -3.060 8.391 -11.468 1.00 0.00 C ATOM 0 HA PRO A 70 -2.399 7.549 -8.389 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.501 10.296 -8.804 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.202 9.336 -9.483 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.716 10.331 -10.812 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.078 10.304 -11.436 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.909 8.418 -12.151 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.201 8.040 -12.041 1.00 0.00 H new ATOM 1047 N ALA A 71 -5.410 8.341 -8.828 1.00 0.00 N ATOM 1048 CA ALA A 71 -6.673 8.625 -8.157 1.00 0.00 C ATOM 1049 C ALA A 71 -7.257 7.363 -7.531 1.00 0.00 C ATOM 1050 O ALA A 71 -7.985 7.432 -6.541 1.00 0.00 O ATOM 1051 CB ALA A 71 -7.664 9.239 -9.135 1.00 0.00 C ATOM 0 H ALA A 71 -5.508 7.995 -9.782 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.479 9.340 -7.357 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.602 9.446 -8.620 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.255 10.168 -9.532 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.845 8.543 -9.954 1.00 0.00 H new ATOM 1057 N GLN A 72 -6.933 6.214 -8.115 1.00 0.00 N ATOM 1058 CA GLN A 72 -7.428 4.937 -7.613 1.00 0.00 C ATOM 1059 C GLN A 72 -6.725 4.552 -6.316 1.00 0.00 C ATOM 1060 O GLN A 72 -5.609 4.031 -6.333 1.00 0.00 O ATOM 1061 CB GLN A 72 -7.227 3.841 -8.661 1.00 0.00 C ATOM 1062 CG GLN A 72 -7.474 2.439 -8.130 1.00 0.00 C ATOM 1063 CD GLN A 72 -6.939 1.362 -9.054 1.00 0.00 C ATOM 1064 OE1 GLN A 72 -6.933 1.522 -10.274 1.00 0.00 O ATOM 1065 NE2 GLN A 72 -6.486 0.256 -8.474 1.00 0.00 N ATOM 0 H GLN A 72 -6.331 6.141 -8.935 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.493 5.044 -7.409 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.897 4.026 -9.501 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.209 3.901 -9.046 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.006 2.338 -7.151 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.545 2.292 -7.988 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.510 0.166 -7.458 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -6.114 -0.503 -9.044 1.00 0.00 H new ATOM 1074 N THR A 73 -7.384 4.812 -5.191 1.00 0.00 N ATOM 1075 CA THR A 73 -6.821 4.495 -3.885 1.00 0.00 C ATOM 1076 C THR A 73 -7.348 3.160 -3.369 1.00 0.00 C ATOM 1077 O THR A 73 -7.496 2.965 -2.163 1.00 0.00 O ATOM 1078 CB THR A 73 -7.141 5.593 -2.853 1.00 0.00 C ATOM 1079 OG1 THR A 73 -8.555 5.669 -2.641 1.00 0.00 O ATOM 1080 CG2 THR A 73 -6.619 6.943 -3.322 1.00 0.00 C ATOM 0 H THR A 73 -8.309 5.241 -5.159 1.00 0.00 H new ATOM 0 HA THR A 73 -5.740 4.432 -4.014 1.00 0.00 H new ATOM 0 HB THR A 73 -6.648 5.336 -1.916 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.750 6.368 -1.982 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.856 7.703 -2.578 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.538 6.889 -3.454 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.088 7.205 -4.270 1.00 0.00 H new ATOM 1088 N SER A 74 -7.628 2.244 -4.290 1.00 0.00 N ATOM 1089 CA SER A 74 -8.142 0.928 -3.928 1.00 0.00 C ATOM 1090 C SER A 74 -7.835 -0.094 -5.019 1.00 0.00 C ATOM 1091 O SER A 74 -8.054 0.160 -6.203 1.00 0.00 O ATOM 1092 CB SER A 74 -9.651 0.995 -3.687 1.00 0.00 C ATOM 1093 OG SER A 74 -10.306 1.683 -4.738 1.00 0.00 O ATOM 0 H SER A 74 -7.508 2.389 -5.293 1.00 0.00 H new ATOM 0 HA SER A 74 -7.648 0.613 -3.009 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.054 -0.014 -3.602 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.849 1.498 -2.740 1.00 0.00 H new ATOM 0 HG SER A 74 -9.894 1.442 -5.594 1.00 0.00 H new ATOM 1099 N VAL A 75 -7.325 -1.251 -4.609 1.00 0.00 N ATOM 1100 CA VAL A 75 -6.988 -2.313 -5.550 1.00 0.00 C ATOM 1101 C VAL A 75 -7.483 -3.666 -5.051 1.00 0.00 C ATOM 1102 O VAL A 75 -7.554 -3.908 -3.846 1.00 0.00 O ATOM 1103 CB VAL A 75 -5.469 -2.390 -5.789 1.00 0.00 C ATOM 1104 CG1 VAL A 75 -4.742 -2.731 -4.496 1.00 0.00 C ATOM 1105 CG2 VAL A 75 -5.151 -3.409 -6.873 1.00 0.00 C ATOM 0 H VAL A 75 -7.136 -1.477 -3.632 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.484 -2.072 -6.490 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.122 -1.414 -6.127 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.670 -2.781 -4.684 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.944 -1.961 -3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.091 -3.695 -4.126 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.073 -3.450 -7.029 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.511 -4.391 -6.566 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.641 -3.117 -7.802 1.00 0.00 H new ATOM 1115 N VAL A 76 -7.823 -4.548 -5.986 1.00 0.00 N ATOM 1116 CA VAL A 76 -8.310 -5.878 -5.642 1.00 0.00 C ATOM 1117 C VAL A 76 -7.204 -6.920 -5.778 1.00 0.00 C ATOM 1118 O VAL A 76 -6.632 -7.097 -6.853 1.00 0.00 O ATOM 1119 CB VAL A 76 -9.499 -6.289 -6.531 1.00 0.00 C ATOM 1120 CG1 VAL A 76 -9.880 -7.739 -6.277 1.00 0.00 C ATOM 1121 CG2 VAL A 76 -10.685 -5.367 -6.292 1.00 0.00 C ATOM 0 H VAL A 76 -7.770 -4.365 -6.988 1.00 0.00 H new ATOM 0 HA VAL A 76 -8.640 -5.835 -4.604 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.200 -6.196 -7.575 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.722 -8.011 -6.914 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.031 -8.383 -6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -10.161 -7.863 -5.231 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -11.516 -5.671 -6.928 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -10.987 -5.427 -5.246 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.402 -4.342 -6.530 1.00 0.00 H new ATOM 1131 N VAL A 77 -6.908 -7.607 -4.679 1.00 0.00 N ATOM 1132 CA VAL A 77 -5.872 -8.633 -4.675 1.00 0.00 C ATOM 1133 C VAL A 77 -6.482 -10.030 -4.711 1.00 0.00 C ATOM 1134 O VAL A 77 -7.249 -10.405 -3.824 1.00 0.00 O ATOM 1135 CB VAL A 77 -4.967 -8.511 -3.435 1.00 0.00 C ATOM 1136 CG1 VAL A 77 -3.962 -9.652 -3.394 1.00 0.00 C ATOM 1137 CG2 VAL A 77 -4.258 -7.165 -3.423 1.00 0.00 C ATOM 0 H VAL A 77 -7.371 -7.472 -3.780 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.270 -8.480 -5.571 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.591 -8.575 -2.543 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.331 -9.549 -2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.493 -10.603 -3.352 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.341 -9.622 -4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.623 -7.096 -2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.645 -7.069 -4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.997 -6.364 -3.401 1.00 0.00 H new ATOM 1147 N GLU A 78 -6.135 -10.795 -5.741 1.00 0.00 N ATOM 1148 CA GLU A 78 -6.649 -12.151 -5.891 1.00 0.00 C ATOM 1149 C GLU A 78 -5.507 -13.154 -6.030 1.00 0.00 C ATOM 1150 O GLU A 78 -4.333 -12.788 -5.955 1.00 0.00 O ATOM 1151 CB GLU A 78 -7.570 -12.239 -7.110 1.00 0.00 C ATOM 1152 CG GLU A 78 -8.826 -11.393 -6.987 1.00 0.00 C ATOM 1153 CD GLU A 78 -9.878 -11.757 -8.016 1.00 0.00 C ATOM 1154 OE1 GLU A 78 -10.593 -12.758 -7.804 1.00 0.00 O ATOM 1155 OE2 GLU A 78 -9.986 -11.041 -9.033 1.00 0.00 O ATOM 0 H GLU A 78 -5.501 -10.499 -6.483 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.219 -12.397 -4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.017 -11.926 -7.996 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.857 -13.279 -7.264 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.244 -11.513 -5.988 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -8.563 -10.341 -7.098 1.00 0.00 H new ATOM 1162 N ASP A 79 -5.859 -14.418 -6.232 1.00 0.00 N ATOM 1163 CA ASP A 79 -4.865 -15.475 -6.382 1.00 0.00 C ATOM 1164 C ASP A 79 -4.036 -15.625 -5.110 1.00 0.00 C ATOM 1165 O ASP A 79 -2.806 -15.671 -5.159 1.00 0.00 O ATOM 1166 CB ASP A 79 -3.949 -15.177 -7.570 1.00 0.00 C ATOM 1167 CG ASP A 79 -4.502 -15.713 -8.876 1.00 0.00 C ATOM 1168 OD1 ASP A 79 -4.461 -16.945 -9.077 1.00 0.00 O ATOM 1169 OD2 ASP A 79 -4.977 -14.900 -9.696 1.00 0.00 O ATOM 0 H ASP A 79 -6.826 -14.737 -6.296 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.391 -16.412 -6.564 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.807 -14.100 -7.654 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.968 -15.615 -7.387 1.00 0.00 H new ATOM 1174 N LEU A 80 -4.717 -15.700 -3.972 1.00 0.00 N ATOM 1175 CA LEU A 80 -4.044 -15.844 -2.685 1.00 0.00 C ATOM 1176 C LEU A 80 -4.272 -17.235 -2.104 1.00 0.00 C ATOM 1177 O LEU A 80 -4.912 -18.083 -2.727 1.00 0.00 O ATOM 1178 CB LEU A 80 -4.542 -14.781 -1.705 1.00 0.00 C ATOM 1179 CG LEU A 80 -4.421 -13.329 -2.170 1.00 0.00 C ATOM 1180 CD1 LEU A 80 -5.517 -12.476 -1.550 1.00 0.00 C ATOM 1181 CD2 LEU A 80 -3.048 -12.771 -1.822 1.00 0.00 C ATOM 0 H LEU A 80 -5.735 -15.664 -3.914 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.974 -15.709 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.589 -14.984 -1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.990 -14.890 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.539 -13.304 -3.253 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.414 -11.446 -1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.492 -12.862 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.432 -12.507 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.979 -11.737 -2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.902 -12.810 -0.743 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.278 -13.366 -2.314 1.00 0.00 H new ATOM 1193 N LEU A 81 -3.747 -17.463 -0.905 1.00 0.00 N ATOM 1194 CA LEU A 81 -3.895 -18.752 -0.237 1.00 0.00 C ATOM 1195 C LEU A 81 -4.824 -18.637 0.967 1.00 0.00 C ATOM 1196 O LEU A 81 -4.765 -17.680 1.739 1.00 0.00 O ATOM 1197 CB LEU A 81 -2.530 -19.279 0.206 1.00 0.00 C ATOM 1198 CG LEU A 81 -1.619 -19.801 -0.905 1.00 0.00 C ATOM 1199 CD1 LEU A 81 -0.189 -19.937 -0.404 1.00 0.00 C ATOM 1200 CD2 LEU A 81 -2.130 -21.134 -1.432 1.00 0.00 C ATOM 0 H LEU A 81 -3.215 -16.772 -0.375 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.335 -19.453 -0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.007 -18.480 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.689 -20.082 0.925 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.628 -19.081 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.445 -20.310 -1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.176 -18.964 -0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.161 -20.635 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.469 -21.490 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.151 -21.862 -0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.136 -21.006 -1.831 1.00 0.00 H new ATOM 1212 N PRO A 82 -5.703 -19.637 1.135 1.00 0.00 N ATOM 1213 CA PRO A 82 -6.659 -19.673 2.245 1.00 0.00 C ATOM 1214 C PRO A 82 -5.979 -19.914 3.588 1.00 0.00 C ATOM 1215 O PRO A 82 -5.024 -20.684 3.682 1.00 0.00 O ATOM 1216 CB PRO A 82 -7.572 -20.849 1.889 1.00 0.00 C ATOM 1217 CG PRO A 82 -6.737 -21.728 1.024 1.00 0.00 C ATOM 1218 CD PRO A 82 -5.829 -20.810 0.253 1.00 0.00 C ATOM 0 HA PRO A 82 -7.186 -18.726 2.360 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.906 -21.375 2.783 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -8.466 -20.512 1.365 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.161 -22.432 1.624 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.359 -22.317 0.350 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.861 -21.272 0.058 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.255 -20.542 -0.714 1.00 0.00 H new ATOM 1226 N ASN A 83 -6.478 -19.250 4.626 1.00 0.00 N ATOM 1227 CA ASN A 83 -5.917 -19.393 5.965 1.00 0.00 C ATOM 1228 C ASN A 83 -4.438 -19.020 5.979 1.00 0.00 C ATOM 1229 O ASN A 83 -3.625 -19.682 6.624 1.00 0.00 O ATOM 1230 CB ASN A 83 -6.098 -20.827 6.466 1.00 0.00 C ATOM 1231 CG ASN A 83 -7.546 -21.155 6.772 1.00 0.00 C ATOM 1232 OD1 ASN A 83 -7.873 -21.609 7.869 1.00 0.00 O ATOM 1233 ND2 ASN A 83 -8.423 -20.927 5.801 1.00 0.00 N ATOM 0 H ASN A 83 -7.269 -18.608 4.566 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.450 -18.713 6.629 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.722 -21.521 5.715 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.498 -20.974 7.364 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.412 -21.129 5.949 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -8.108 -20.550 4.907 1.00 0.00 H new ATOM 1240 N HIS A 84 -4.096 -17.954 5.262 1.00 0.00 N ATOM 1241 CA HIS A 84 -2.714 -17.491 5.192 1.00 0.00 C ATOM 1242 C HIS A 84 -2.642 -15.973 5.326 1.00 0.00 C ATOM 1243 O HIS A 84 -3.409 -15.247 4.693 1.00 0.00 O ATOM 1244 CB HIS A 84 -2.073 -17.929 3.875 1.00 0.00 C ATOM 1245 CG HIS A 84 -1.650 -19.366 3.863 1.00 0.00 C ATOM 1246 ND1 HIS A 84 -2.535 -20.410 3.694 1.00 0.00 N ATOM 1247 CD2 HIS A 84 -0.427 -19.930 4.000 1.00 0.00 C ATOM 1248 CE1 HIS A 84 -1.874 -21.554 3.729 1.00 0.00 C ATOM 1249 NE2 HIS A 84 -0.593 -21.290 3.913 1.00 0.00 N ATOM 0 H HIS A 84 -4.756 -17.395 4.722 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.165 -17.938 6.021 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.780 -17.760 3.063 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.204 -17.301 3.677 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -3.542 -20.314 3.563 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.506 -19.407 4.150 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -2.308 -22.538 3.625 1.00 0.00 H new ATOM 1257 N SER A 85 -1.717 -15.500 6.155 1.00 0.00 N ATOM 1258 CA SER A 85 -1.549 -14.069 6.376 1.00 0.00 C ATOM 1259 C SER A 85 -0.717 -13.442 5.261 1.00 0.00 C ATOM 1260 O SER A 85 0.147 -14.094 4.674 1.00 0.00 O ATOM 1261 CB SER A 85 -0.882 -13.815 7.730 1.00 0.00 C ATOM 1262 OG SER A 85 -1.779 -14.075 8.796 1.00 0.00 O ATOM 0 H SER A 85 -1.073 -16.087 6.685 1.00 0.00 H new ATOM 0 HA SER A 85 -2.536 -13.607 6.373 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.000 -14.448 7.829 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.540 -12.782 7.782 1.00 0.00 H new ATOM 0 HG SER A 85 -1.329 -13.907 9.650 1.00 0.00 H new ATOM 1268 N TYR A 86 -0.983 -12.172 4.976 1.00 0.00 N ATOM 1269 CA TYR A 86 -0.262 -11.456 3.931 1.00 0.00 C ATOM 1270 C TYR A 86 -0.064 -9.991 4.310 1.00 0.00 C ATOM 1271 O TYR A 86 -1.029 -9.242 4.463 1.00 0.00 O ATOM 1272 CB TYR A 86 -1.016 -11.554 2.603 1.00 0.00 C ATOM 1273 CG TYR A 86 -0.887 -12.902 1.932 1.00 0.00 C ATOM 1274 CD1 TYR A 86 0.261 -13.244 1.229 1.00 0.00 C ATOM 1275 CD2 TYR A 86 -1.915 -13.835 2.002 1.00 0.00 C ATOM 1276 CE1 TYR A 86 0.382 -14.475 0.613 1.00 0.00 C ATOM 1277 CE2 TYR A 86 -1.802 -15.069 1.390 1.00 0.00 C ATOM 1278 CZ TYR A 86 -0.652 -15.384 0.697 1.00 0.00 C ATOM 1279 OH TYR A 86 -0.535 -16.611 0.086 1.00 0.00 O ATOM 0 H TYR A 86 -1.693 -11.617 5.454 1.00 0.00 H new ATOM 0 HA TYR A 86 0.719 -11.919 3.820 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.071 -11.344 2.778 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.645 -10.784 1.927 1.00 0.00 H new ATOM 0 HD1 TYR A 86 1.073 -12.535 1.163 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -2.817 -13.592 2.544 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.281 -14.724 0.069 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.610 -15.783 1.454 1.00 0.00 H new ATOM 0 HH TYR A 86 0.403 -16.771 -0.150 1.00 0.00 H new ATOM 1289 N VAL A 87 1.194 -9.590 4.460 1.00 0.00 N ATOM 1290 CA VAL A 87 1.520 -8.215 4.820 1.00 0.00 C ATOM 1291 C VAL A 87 1.377 -7.285 3.621 1.00 0.00 C ATOM 1292 O VAL A 87 2.226 -7.268 2.729 1.00 0.00 O ATOM 1293 CB VAL A 87 2.953 -8.105 5.373 1.00 0.00 C ATOM 1294 CG1 VAL A 87 3.962 -8.588 4.343 1.00 0.00 C ATOM 1295 CG2 VAL A 87 3.252 -6.674 5.795 1.00 0.00 C ATOM 0 H VAL A 87 2.004 -10.197 4.338 1.00 0.00 H new ATOM 0 HA VAL A 87 0.815 -7.915 5.595 1.00 0.00 H new ATOM 0 HB VAL A 87 3.035 -8.744 6.252 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.969 -8.503 4.752 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.758 -9.630 4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.883 -7.978 3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.269 -6.614 6.183 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.153 -6.013 4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.549 -6.369 6.570 1.00 0.00 H new ATOM 1305 N PHE A 88 0.297 -6.510 3.605 1.00 0.00 N ATOM 1306 CA PHE A 88 0.042 -5.576 2.515 1.00 0.00 C ATOM 1307 C PHE A 88 0.642 -4.207 2.820 1.00 0.00 C ATOM 1308 O PHE A 88 0.152 -3.481 3.685 1.00 0.00 O ATOM 1309 CB PHE A 88 -1.463 -5.443 2.271 1.00 0.00 C ATOM 1310 CG PHE A 88 -2.060 -6.620 1.554 1.00 0.00 C ATOM 1311 CD1 PHE A 88 -2.506 -7.725 2.261 1.00 0.00 C ATOM 1312 CD2 PHE A 88 -2.176 -6.622 0.173 1.00 0.00 C ATOM 1313 CE1 PHE A 88 -3.056 -8.810 1.604 1.00 0.00 C ATOM 1314 CE2 PHE A 88 -2.725 -7.704 -0.489 1.00 0.00 C ATOM 1315 CZ PHE A 88 -3.166 -8.799 0.228 1.00 0.00 C ATOM 0 H PHE A 88 -0.415 -6.511 4.335 1.00 0.00 H new ATOM 0 HA PHE A 88 0.516 -5.968 1.615 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.968 -5.316 3.228 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.650 -4.540 1.690 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.423 -7.739 3.338 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.833 -5.768 -0.393 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.399 -9.665 2.167 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.809 -7.693 -1.566 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.596 -9.645 -0.287 1.00 0.00 H new ATOM 1325 N ARG A 89 1.707 -3.862 2.104 1.00 0.00 N ATOM 1326 CA ARG A 89 2.376 -2.581 2.298 1.00 0.00 C ATOM 1327 C ARG A 89 2.065 -1.625 1.150 1.00 0.00 C ATOM 1328 O ARG A 89 2.662 -1.712 0.077 1.00 0.00 O ATOM 1329 CB ARG A 89 3.888 -2.783 2.412 1.00 0.00 C ATOM 1330 CG ARG A 89 4.306 -3.577 3.640 1.00 0.00 C ATOM 1331 CD ARG A 89 5.786 -3.401 3.940 1.00 0.00 C ATOM 1332 NE ARG A 89 6.325 -4.519 4.709 1.00 0.00 N ATOM 1333 CZ ARG A 89 7.621 -4.798 4.791 1.00 0.00 C ATOM 1334 NH1 ARG A 89 8.506 -4.044 4.154 1.00 0.00 N ATOM 1335 NH2 ARG A 89 8.034 -5.833 5.511 1.00 0.00 N ATOM 0 H ARG A 89 2.125 -4.452 1.384 1.00 0.00 H new ATOM 0 HA ARG A 89 2.004 -2.142 3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 89 4.246 -3.296 1.519 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.375 -1.808 2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 89 3.719 -3.255 4.500 1.00 0.00 H new ATOM 0 HG3 ARG A 89 4.089 -4.633 3.483 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.337 -3.306 3.004 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.936 -2.474 4.494 1.00 0.00 H new ATOM 0 HE ARG A 89 5.670 -5.119 5.211 1.00 0.00 H new ATOM 0 HH11 ARG A 89 8.192 -3.248 3.599 1.00 0.00 H new ATOM 0 HH12 ARG A 89 9.501 -4.260 4.219 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.356 -6.415 6.002 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.030 -6.046 5.573 1.00 0.00 H new ATOM 1349 N VAL A 90 1.126 -0.713 1.383 1.00 0.00 N ATOM 1350 CA VAL A 90 0.736 0.259 0.369 1.00 0.00 C ATOM 1351 C VAL A 90 1.724 1.418 0.311 1.00 0.00 C ATOM 1352 O VAL A 90 2.081 1.996 1.338 1.00 0.00 O ATOM 1353 CB VAL A 90 -0.675 0.814 0.638 1.00 0.00 C ATOM 1354 CG1 VAL A 90 -0.943 2.034 -0.230 1.00 0.00 C ATOM 1355 CG2 VAL A 90 -1.725 -0.261 0.400 1.00 0.00 C ATOM 0 H VAL A 90 0.621 -0.627 2.265 1.00 0.00 H new ATOM 0 HA VAL A 90 0.737 -0.263 -0.588 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.733 1.121 1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.945 2.413 -0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.210 2.809 -0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -0.867 1.756 -1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.716 0.149 0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.670 -0.601 -0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.542 -1.102 1.069 1.00 0.00 H new ATOM 1365 N ARG A 91 2.163 1.755 -0.897 1.00 0.00 N ATOM 1366 CA ARG A 91 3.111 2.846 -1.090 1.00 0.00 C ATOM 1367 C ARG A 91 2.622 3.806 -2.171 1.00 0.00 C ATOM 1368 O ARG A 91 1.804 3.442 -3.015 1.00 0.00 O ATOM 1369 CB ARG A 91 4.486 2.293 -1.467 1.00 0.00 C ATOM 1370 CG ARG A 91 5.620 3.281 -1.247 1.00 0.00 C ATOM 1371 CD ARG A 91 6.976 2.633 -1.480 1.00 0.00 C ATOM 1372 NE ARG A 91 6.979 1.783 -2.667 1.00 0.00 N ATOM 1373 CZ ARG A 91 7.938 0.904 -2.939 1.00 0.00 C ATOM 1374 NH1 ARG A 91 8.965 0.761 -2.113 1.00 0.00 N ATOM 1375 NH2 ARG A 91 7.870 0.165 -4.039 1.00 0.00 N ATOM 0 H ARG A 91 1.877 1.288 -1.758 1.00 0.00 H new ATOM 0 HA ARG A 91 3.192 3.395 -0.152 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.680 1.394 -0.882 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.473 1.994 -2.515 1.00 0.00 H new ATOM 0 HG2 ARG A 91 5.500 4.130 -1.920 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.572 3.671 -0.230 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.735 3.408 -1.587 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.249 2.039 -0.608 1.00 0.00 H new ATOM 0 HE ARG A 91 6.203 1.868 -3.323 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.021 1.326 -1.266 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.699 0.086 -2.325 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.081 0.271 -4.677 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.607 -0.509 -4.247 1.00 0.00 H new ATOM 1389 N ALA A 92 3.129 5.034 -2.137 1.00 0.00 N ATOM 1390 CA ALA A 92 2.746 6.046 -3.114 1.00 0.00 C ATOM 1391 C ALA A 92 3.974 6.673 -3.765 1.00 0.00 C ATOM 1392 O ALA A 92 5.048 6.721 -3.166 1.00 0.00 O ATOM 1393 CB ALA A 92 1.890 7.117 -2.456 1.00 0.00 C ATOM 0 H ALA A 92 3.806 5.352 -1.443 1.00 0.00 H new ATOM 0 HA ALA A 92 2.162 5.559 -3.895 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.611 7.866 -3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.990 6.661 -2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.455 7.592 -1.654 1.00 0.00 H new ATOM 1399 N GLN A 93 3.807 7.152 -4.994 1.00 0.00 N ATOM 1400 CA GLN A 93 4.904 7.775 -5.725 1.00 0.00 C ATOM 1401 C GLN A 93 4.511 9.165 -6.215 1.00 0.00 C ATOM 1402 O GLN A 93 3.362 9.401 -6.586 1.00 0.00 O ATOM 1403 CB GLN A 93 5.315 6.901 -6.912 1.00 0.00 C ATOM 1404 CG GLN A 93 6.499 7.450 -7.691 1.00 0.00 C ATOM 1405 CD GLN A 93 7.260 6.370 -8.434 1.00 0.00 C ATOM 1406 OE1 GLN A 93 8.492 6.353 -8.437 1.00 0.00 O ATOM 1407 NE2 GLN A 93 6.530 5.461 -9.069 1.00 0.00 N ATOM 0 H GLN A 93 2.924 7.121 -5.503 1.00 0.00 H new ATOM 0 HA GLN A 93 5.750 7.874 -5.045 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.561 5.903 -6.550 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.465 6.795 -7.586 1.00 0.00 H new ATOM 0 HG2 GLN A 93 6.146 8.196 -8.403 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.176 7.959 -7.005 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.512 5.514 -9.040 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.987 4.710 -9.586 1.00 0.00 H new ATOM 1416 N SER A 94 5.474 10.081 -6.212 1.00 0.00 N ATOM 1417 CA SER A 94 5.228 11.450 -6.652 1.00 0.00 C ATOM 1418 C SER A 94 6.407 11.981 -7.460 1.00 0.00 C ATOM 1419 O SER A 94 7.487 11.392 -7.462 1.00 0.00 O ATOM 1420 CB SER A 94 4.971 12.357 -5.447 1.00 0.00 C ATOM 1421 OG SER A 94 6.183 12.693 -4.794 1.00 0.00 O ATOM 0 H SER A 94 6.431 9.900 -5.910 1.00 0.00 H new ATOM 0 HA SER A 94 4.345 11.447 -7.290 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.466 13.266 -5.773 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.304 11.856 -4.746 1.00 0.00 H new ATOM 0 HG SER A 94 6.100 13.581 -4.388 1.00 0.00 H new ATOM 1427 N GLN A 95 6.191 13.099 -8.146 1.00 0.00 N ATOM 1428 CA GLN A 95 7.236 13.710 -8.959 1.00 0.00 C ATOM 1429 C GLN A 95 8.599 13.567 -8.291 1.00 0.00 C ATOM 1430 O GLN A 95 9.604 13.320 -8.957 1.00 0.00 O ATOM 1431 CB GLN A 95 6.925 15.188 -9.200 1.00 0.00 C ATOM 1432 CG GLN A 95 7.955 15.893 -10.067 1.00 0.00 C ATOM 1433 CD GLN A 95 7.386 17.101 -10.786 1.00 0.00 C ATOM 1434 OE1 GLN A 95 6.578 16.966 -11.705 1.00 0.00 O ATOM 1435 NE2 GLN A 95 7.805 18.290 -10.369 1.00 0.00 N ATOM 0 H GLN A 95 5.302 13.600 -8.155 1.00 0.00 H new ATOM 0 HA GLN A 95 7.266 13.191 -9.917 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.946 15.272 -9.672 1.00 0.00 H new ATOM 0 HB3 GLN A 95 6.861 15.699 -8.239 1.00 0.00 H new ATOM 0 HG2 GLN A 95 8.794 16.207 -9.445 1.00 0.00 H new ATOM 0 HG3 GLN A 95 8.348 15.190 -10.801 1.00 0.00 H new ATOM 0 HE21 GLN A 95 8.476 18.355 -9.603 1.00 0.00 H new ATOM 0 HE22 GLN A 95 7.456 19.139 -10.814 1.00 0.00 H new ATOM 1444 N GLU A 96 8.625 13.726 -6.972 1.00 0.00 N ATOM 1445 CA GLU A 96 9.867 13.615 -6.214 1.00 0.00 C ATOM 1446 C GLU A 96 10.382 12.179 -6.220 1.00 0.00 C ATOM 1447 O GLU A 96 11.495 11.909 -6.667 1.00 0.00 O ATOM 1448 CB GLU A 96 9.655 14.087 -4.774 1.00 0.00 C ATOM 1449 CG GLU A 96 9.857 15.582 -4.588 1.00 0.00 C ATOM 1450 CD GLU A 96 11.318 15.984 -4.635 1.00 0.00 C ATOM 1451 OE1 GLU A 96 12.109 15.269 -5.285 1.00 0.00 O ATOM 1452 OE2 GLU A 96 11.671 17.013 -4.022 1.00 0.00 O ATOM 0 H GLU A 96 7.802 13.932 -6.406 1.00 0.00 H new ATOM 0 HA GLU A 96 10.612 14.251 -6.691 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.645 13.823 -4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.343 13.552 -4.120 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.312 16.118 -5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 96 9.431 15.886 -3.632 1.00 0.00 H new ATOM 1459 N GLY A 97 9.561 11.260 -5.718 1.00 0.00 N ATOM 1460 CA GLY A 97 9.951 9.863 -5.674 1.00 0.00 C ATOM 1461 C GLY A 97 9.062 9.042 -4.760 1.00 0.00 C ATOM 1462 O GLY A 97 8.028 9.522 -4.295 1.00 0.00 O ATOM 0 H GLY A 97 8.634 11.459 -5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.915 9.447 -6.681 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.984 9.788 -5.335 1.00 0.00 H new ATOM 1466 N TRP A 98 9.464 7.803 -4.504 1.00 0.00 N ATOM 1467 CA TRP A 98 8.695 6.913 -3.641 1.00 0.00 C ATOM 1468 C TRP A 98 8.852 7.305 -2.177 1.00 0.00 C ATOM 1469 O TRP A 98 9.962 7.327 -1.645 1.00 0.00 O ATOM 1470 CB TRP A 98 9.139 5.463 -3.844 1.00 0.00 C ATOM 1471 CG TRP A 98 8.648 4.866 -5.128 1.00 0.00 C ATOM 1472 CD1 TRP A 98 9.387 4.605 -6.246 1.00 0.00 C ATOM 1473 CD2 TRP A 98 7.308 4.457 -5.426 1.00 0.00 C ATOM 1474 NE1 TRP A 98 8.588 4.059 -7.222 1.00 0.00 N ATOM 1475 CE2 TRP A 98 7.309 3.957 -6.743 1.00 0.00 C ATOM 1476 CE3 TRP A 98 6.110 4.463 -4.709 1.00 0.00 C ATOM 1477 CZ2 TRP A 98 6.157 3.470 -7.354 1.00 0.00 C ATOM 1478 CZ3 TRP A 98 4.967 3.979 -5.317 1.00 0.00 C ATOM 1479 CH2 TRP A 98 4.997 3.487 -6.628 1.00 0.00 C ATOM 0 H TRP A 98 10.318 7.391 -4.881 1.00 0.00 H new ATOM 0 HA TRP A 98 7.643 7.005 -3.911 1.00 0.00 H new ATOM 0 HB2 TRP A 98 10.228 5.418 -3.823 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.779 4.860 -3.010 1.00 0.00 H new ATOM 0 HD1 TRP A 98 10.444 4.799 -6.348 1.00 0.00 H new ATOM 0 HE1 TRP A 98 8.897 3.776 -8.152 1.00 0.00 H new ATOM 0 HE3 TRP A 98 6.077 4.839 -3.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 6.178 3.092 -8.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.035 3.980 -4.772 1.00 0.00 H new ATOM 0 HH2 TRP A 98 4.087 3.114 -7.075 1.00 0.00 H new ATOM 1490 N GLY A 99 7.734 7.616 -1.528 1.00 0.00 N ATOM 1491 CA GLY A 99 7.771 8.003 -0.130 1.00 0.00 C ATOM 1492 C GLY A 99 7.689 6.812 0.804 1.00 0.00 C ATOM 1493 O GLY A 99 8.233 5.747 0.512 1.00 0.00 O ATOM 0 H GLY A 99 6.803 7.607 -1.946 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.691 8.553 0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.944 8.681 0.078 1.00 0.00 H new ATOM 1497 N ARG A 100 7.009 6.992 1.932 1.00 0.00 N ATOM 1498 CA ARG A 100 6.860 5.925 2.913 1.00 0.00 C ATOM 1499 C ARG A 100 5.690 5.014 2.553 1.00 0.00 C ATOM 1500 O ARG A 100 4.988 5.250 1.571 1.00 0.00 O ATOM 1501 CB ARG A 100 6.651 6.512 4.310 1.00 0.00 C ATOM 1502 CG ARG A 100 7.941 6.952 4.985 1.00 0.00 C ATOM 1503 CD ARG A 100 7.841 6.846 6.499 1.00 0.00 C ATOM 1504 NE ARG A 100 9.149 6.945 7.142 1.00 0.00 N ATOM 1505 CZ ARG A 100 9.356 6.690 8.429 1.00 0.00 C ATOM 1506 NH1 ARG A 100 8.347 6.321 9.206 1.00 0.00 N ATOM 1507 NH2 ARG A 100 10.575 6.802 8.940 1.00 0.00 N ATOM 0 H ARG A 100 6.553 7.867 2.189 1.00 0.00 H new ATOM 0 HA ARG A 100 7.775 5.332 2.908 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.978 7.367 4.239 1.00 0.00 H new ATOM 0 HB3 ARG A 100 6.158 5.769 4.937 1.00 0.00 H new ATOM 0 HG2 ARG A 100 8.767 6.336 4.630 1.00 0.00 H new ATOM 0 HG3 ARG A 100 8.167 7.981 4.705 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.191 7.636 6.876 1.00 0.00 H new ATOM 0 HD3 ARG A 100 7.377 5.897 6.766 1.00 0.00 H new ATOM 0 HE ARG A 100 9.947 7.225 6.572 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.409 6.232 8.816 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.509 6.126 10.194 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.354 7.084 8.345 1.00 0.00 H new ATOM 0 HH22 ARG A 100 10.734 6.606 9.928 1.00 0.00 H new ATOM 1521 N GLU A 101 5.489 3.972 3.355 1.00 0.00 N ATOM 1522 CA GLU A 101 4.405 3.026 3.118 1.00 0.00 C ATOM 1523 C GLU A 101 3.839 2.508 4.437 1.00 0.00 C ATOM 1524 O GLU A 101 4.557 2.391 5.430 1.00 0.00 O ATOM 1525 CB GLU A 101 4.898 1.854 2.267 1.00 0.00 C ATOM 1526 CG GLU A 101 5.964 1.013 2.948 1.00 0.00 C ATOM 1527 CD GLU A 101 7.369 1.508 2.663 1.00 0.00 C ATOM 1528 OE1 GLU A 101 7.778 1.484 1.483 1.00 0.00 O ATOM 1529 OE2 GLU A 101 8.059 1.919 3.619 1.00 0.00 O ATOM 0 H GLU A 101 6.062 3.762 4.173 1.00 0.00 H new ATOM 0 HA GLU A 101 3.612 3.547 2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.050 1.217 2.016 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.296 2.240 1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 101 5.793 1.018 4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.873 -0.021 2.616 1.00 0.00 H new ATOM 1536 N ARG A 102 2.546 2.199 4.438 1.00 0.00 N ATOM 1537 CA ARG A 102 1.882 1.695 5.634 1.00 0.00 C ATOM 1538 C ARG A 102 1.821 0.170 5.621 1.00 0.00 C ATOM 1539 O ARG A 102 1.658 -0.445 4.567 1.00 0.00 O ATOM 1540 CB ARG A 102 0.469 2.271 5.740 1.00 0.00 C ATOM 1541 CG ARG A 102 -0.273 1.840 6.995 1.00 0.00 C ATOM 1542 CD ARG A 102 0.054 2.745 8.173 1.00 0.00 C ATOM 1543 NE ARG A 102 1.203 2.261 8.933 1.00 0.00 N ATOM 1544 CZ ARG A 102 1.872 3.006 9.807 1.00 0.00 C ATOM 1545 NH1 ARG A 102 1.508 4.261 10.029 1.00 0.00 N ATOM 1546 NH2 ARG A 102 2.907 2.494 10.460 1.00 0.00 N ATOM 0 H ARG A 102 1.938 2.289 3.624 1.00 0.00 H new ATOM 0 HA ARG A 102 2.462 2.011 6.501 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.527 3.359 5.718 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.105 1.965 4.866 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.347 1.857 6.808 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.009 0.811 7.240 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.258 3.753 7.810 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.813 2.812 8.830 1.00 0.00 H new ATOM 0 HE ARG A 102 1.509 1.299 8.785 1.00 0.00 H new ATOM 0 HH11 ARG A 102 0.713 4.657 9.529 1.00 0.00 H new ATOM 0 HH12 ARG A 102 2.023 4.830 10.700 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.189 1.529 10.291 1.00 0.00 H new ATOM 0 HH22 ARG A 102 3.420 3.066 11.131 1.00 0.00 H new ATOM 1560 N GLU A 103 1.955 -0.433 6.798 1.00 0.00 N ATOM 1561 CA GLU A 103 1.917 -1.885 6.921 1.00 0.00 C ATOM 1562 C GLU A 103 0.528 -2.360 7.340 1.00 0.00 C ATOM 1563 O GLU A 103 -0.094 -1.783 8.231 1.00 0.00 O ATOM 1564 CB GLU A 103 2.958 -2.361 7.936 1.00 0.00 C ATOM 1565 CG GLU A 103 3.264 -3.847 7.843 1.00 0.00 C ATOM 1566 CD GLU A 103 3.950 -4.380 9.086 1.00 0.00 C ATOM 1567 OE1 GLU A 103 4.970 -3.791 9.500 1.00 0.00 O ATOM 1568 OE2 GLU A 103 3.466 -5.387 9.644 1.00 0.00 O ATOM 0 H GLU A 103 2.091 0.062 7.680 1.00 0.00 H new ATOM 0 HA GLU A 103 2.149 -2.312 5.946 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.880 -1.799 7.789 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.603 -2.134 8.941 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.336 -4.396 7.681 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.898 -4.030 6.976 1.00 0.00 H new ATOM 1575 N GLY A 104 0.048 -3.415 6.689 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.263 -3.950 7.007 1.00 0.00 C ATOM 1577 C GLY A 104 -1.428 -5.388 6.557 1.00 0.00 C ATOM 1578 O GLY A 104 -1.604 -5.658 5.369 1.00 0.00 O ATOM 0 H GLY A 104 0.544 -3.909 5.947 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.426 -3.889 8.083 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.028 -3.334 6.533 1.00 0.00 H new ATOM 1582 N VAL A 105 -1.370 -6.314 7.508 1.00 0.00 N ATOM 1583 CA VAL A 105 -1.513 -7.733 7.204 1.00 0.00 C ATOM 1584 C VAL A 105 -2.932 -8.215 7.486 1.00 0.00 C ATOM 1585 O VAL A 105 -3.561 -7.789 8.455 1.00 0.00 O ATOM 1586 CB VAL A 105 -0.522 -8.585 8.018 1.00 0.00 C ATOM 1587 CG1 VAL A 105 -0.674 -8.305 9.505 1.00 0.00 C ATOM 1588 CG2 VAL A 105 -0.722 -10.063 7.722 1.00 0.00 C ATOM 0 H VAL A 105 -1.225 -6.107 8.496 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.296 -7.852 6.143 1.00 0.00 H new ATOM 0 HB VAL A 105 0.492 -8.313 7.723 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.034 -8.916 10.065 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.476 -7.251 9.699 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.689 -8.547 9.819 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.013 -10.650 8.306 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.739 -10.353 7.987 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -0.558 -10.247 6.660 1.00 0.00 H new ATOM 1598 N ILE A 106 -3.429 -9.105 6.634 1.00 0.00 N ATOM 1599 CA ILE A 106 -4.773 -9.646 6.793 1.00 0.00 C ATOM 1600 C ILE A 106 -4.741 -11.164 6.933 1.00 0.00 C ATOM 1601 O ILE A 106 -3.892 -11.836 6.346 1.00 0.00 O ATOM 1602 CB ILE A 106 -5.675 -9.271 5.602 1.00 0.00 C ATOM 1603 CG1 ILE A 106 -7.117 -9.705 5.871 1.00 0.00 C ATOM 1604 CG2 ILE A 106 -5.154 -9.906 4.322 1.00 0.00 C ATOM 1605 CD1 ILE A 106 -7.866 -8.775 6.800 1.00 0.00 C ATOM 0 H ILE A 106 -2.921 -9.467 5.827 1.00 0.00 H new ATOM 0 HA ILE A 106 -5.184 -9.208 7.702 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.658 -8.188 5.479 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.652 -9.767 4.923 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.112 -10.707 6.300 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -5.802 -9.632 3.490 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.142 -9.552 4.126 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.144 -10.990 4.432 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.881 -9.145 6.945 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -7.355 -8.732 7.762 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.903 -7.777 6.364 1.00 0.00 H new ATOM 1617 N THR A 107 -5.674 -11.700 7.715 1.00 0.00 N ATOM 1618 CA THR A 107 -5.754 -13.139 7.932 1.00 0.00 C ATOM 1619 C THR A 107 -6.988 -13.729 7.260 1.00 0.00 C ATOM 1620 O THR A 107 -8.105 -13.586 7.758 1.00 0.00 O ATOM 1621 CB THR A 107 -5.789 -13.479 9.434 1.00 0.00 C ATOM 1622 OG1 THR A 107 -4.604 -12.993 10.075 1.00 0.00 O ATOM 1623 CG2 THR A 107 -5.907 -14.981 9.647 1.00 0.00 C ATOM 0 H THR A 107 -6.384 -11.159 8.208 1.00 0.00 H new ATOM 0 HA THR A 107 -4.859 -13.576 7.489 1.00 0.00 H new ATOM 0 HB THR A 107 -6.662 -12.996 9.872 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.815 -13.354 9.620 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.930 -15.196 10.715 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.825 -15.343 9.184 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.051 -15.481 9.194 1.00 0.00 H new ATOM 1631 N ILE A 108 -6.779 -14.393 6.128 1.00 0.00 N ATOM 1632 CA ILE A 108 -7.876 -15.006 5.389 1.00 0.00 C ATOM 1633 C ILE A 108 -8.693 -15.931 6.285 1.00 0.00 C ATOM 1634 O ILE A 108 -8.215 -16.986 6.703 1.00 0.00 O ATOM 1635 CB ILE A 108 -7.361 -15.805 4.178 1.00 0.00 C ATOM 1636 CG1 ILE A 108 -6.517 -14.909 3.269 1.00 0.00 C ATOM 1637 CG2 ILE A 108 -8.527 -16.404 3.405 1.00 0.00 C ATOM 1638 CD1 ILE A 108 -7.272 -13.714 2.729 1.00 0.00 C ATOM 0 H ILE A 108 -5.861 -14.520 5.703 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.511 -14.194 5.034 1.00 0.00 H new ATOM 0 HB ILE A 108 -6.732 -16.619 4.539 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -5.647 -14.558 3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -6.144 -15.501 2.433 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -8.147 -16.966 2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -9.091 -17.071 4.057 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.179 -15.605 3.052 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.612 -13.124 2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.127 -14.057 2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -7.622 -13.099 3.558 1.00 0.00 H new ATOM 1650 N GLU A 109 -9.927 -15.530 6.574 1.00 0.00 N ATOM 1651 CA GLU A 109 -10.810 -16.325 7.419 1.00 0.00 C ATOM 1652 C GLU A 109 -12.056 -16.754 6.651 1.00 0.00 C ATOM 1653 O GLU A 109 -12.951 -15.948 6.397 1.00 0.00 O ATOM 1654 CB GLU A 109 -11.212 -15.530 8.663 1.00 0.00 C ATOM 1655 CG GLU A 109 -10.176 -15.572 9.774 1.00 0.00 C ATOM 1656 CD GLU A 109 -10.717 -15.062 11.095 1.00 0.00 C ATOM 1657 OE1 GLU A 109 -11.834 -15.469 11.477 1.00 0.00 O ATOM 1658 OE2 GLU A 109 -10.022 -14.255 11.748 1.00 0.00 O ATOM 0 H GLU A 109 -10.338 -14.660 6.236 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.269 -17.220 7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.387 -14.492 8.380 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.156 -15.920 9.043 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -9.825 -16.596 9.900 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -9.313 -14.973 9.484 1.00 0.00 H new