USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 881 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 501 LYS NZ :NH3+ -174:sc= 0.171 (180deg=0.144) USER MOD Set 1.2: A 537 THR OG1 : rot 101:sc= -0.74! USER MOD Single : A 500 SER OG : rot 180:sc= 0 USER MOD Single : A 502 ASN : amide:sc= -7.72! C(o=-7.7!,f=-13!) USER MOD Single : A 515 SER OG : rot 81:sc= 0.646 USER MOD Single : A 516 THR OG1 : rot 10:sc= -0.027! USER MOD Single : A 522 THR OG1 : rot 82:sc= 0.654 USER MOD Single : A 525 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 527 SER OG : rot 180:sc= 0 USER MOD Single : A 532 HIS : no HD1:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 538 CYS SG : rot 180:sc= -0.499 USER MOD Single : A 539 ASN : amide:sc= -6.14! K(o=-6.1!,f=-1.1) USER MOD Single : A 543 THR OG1 : rot 180:sc= -0.517 USER MOD Single : A 544 THR OG1 : rot 180:sc=-0.00638 USER MOD Single : A 545 SER OG : rot 4:sc= 0.388 USER MOD Single : A 547 MET CE :methyl -177:sc= 0 (180deg=-0.00616) USER MOD Single : A 549 ASN : amide:sc= -1.46! C(o=-1.5!,f=-3.4!) USER MOD Single : A 554 THR OG1 : rot 20:sc= -0.897 USER MOD Single : A 559 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 560 THR OG1 : rot 180:sc=-0.00127 USER MOD Single : A 574 TYR OH : rot -140:sc= -0.219 USER MOD Single : A 575 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 577 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 580 GLN : amide:sc= -0.47 X(o=-0.47,f=-0.13) USER MOD Single : A 587 THR OG1 : rot 180:sc= 0 USER MOD Single : A 589 SER OG : rot -56:sc= 1.26 USER MOD Single : A 593 HIS : no HD1:sc= -0.292 X(o=-0.29,f=-0.014) USER MOD Single : A 595 MET CE :methyl 168:sc= 0 (180deg=-0.00295) USER MOD Single : A 596 THR OG1 : rot 180:sc= -0.293 USER MOD Single : A 597 SER OG : rot 180:sc= 0 USER MOD Single : A 605 SER OG : rot 102:sc= 1.17 USER MOD Single : A 606 CYS SG : rot 76:sc= 0.699 USER MOD ----------------------------------------------------------------- ATOM 112 N ILE A 490 -15.725 1.254 -7.140 1.00 0.00 N ATOM 113 CA ILE A 490 -14.632 2.210 -7.267 1.00 0.00 C ATOM 114 C ILE A 490 -15.128 3.505 -7.901 1.00 0.00 C ATOM 115 O ILE A 490 -14.778 4.598 -7.457 1.00 0.00 O ATOM 116 CB ILE A 490 -13.513 1.615 -8.126 1.00 0.00 C ATOM 117 CG1 ILE A 490 -13.247 0.169 -7.693 1.00 0.00 C ATOM 118 CG2 ILE A 490 -12.239 2.442 -7.953 1.00 0.00 C ATOM 119 CD1 ILE A 490 -13.047 0.110 -6.175 1.00 0.00 C ATOM 0 HA ILE A 490 -14.247 2.428 -6.271 1.00 0.00 H new ATOM 0 HB ILE A 490 -13.815 1.630 -9.173 1.00 0.00 H new ATOM 0 HG12 ILE A 490 -14.083 -0.467 -7.984 1.00 0.00 H new ATOM 0 HG13 ILE A 490 -12.362 -0.215 -8.201 1.00 0.00 H new ATOM 0 HG21 ILE A 490 -11.443 2.017 -8.565 1.00 0.00 H new ATOM 0 HG22 ILE A 490 -12.427 3.469 -8.264 1.00 0.00 H new ATOM 0 HG23 ILE A 490 -11.937 2.430 -6.906 1.00 0.00 H new ATOM 0 HD11 ILE A 490 -12.858 -0.920 -5.873 1.00 0.00 H new ATOM 0 HD12 ILE A 490 -12.196 0.732 -5.896 1.00 0.00 H new ATOM 0 HD13 ILE A 490 -13.944 0.476 -5.675 1.00 0.00 H new ATOM 131 N LEU A 491 -15.946 3.372 -8.940 1.00 0.00 N ATOM 132 CA LEU A 491 -16.484 4.541 -9.627 1.00 0.00 C ATOM 133 C LEU A 491 -17.081 5.518 -8.618 1.00 0.00 C ATOM 134 O LEU A 491 -16.622 6.653 -8.494 1.00 0.00 O ATOM 135 CB LEU A 491 -17.558 4.107 -10.632 1.00 0.00 C ATOM 136 CG LEU A 491 -18.275 5.336 -11.203 1.00 0.00 C ATOM 137 CD1 LEU A 491 -17.247 6.345 -11.722 1.00 0.00 C ATOM 138 CD2 LEU A 491 -19.183 4.899 -12.354 1.00 0.00 C ATOM 0 H LEU A 491 -16.249 2.476 -9.322 1.00 0.00 H new ATOM 0 HA LEU A 491 -15.674 5.039 -10.161 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -17.101 3.535 -11.440 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -18.278 3.450 -10.145 1.00 0.00 H new ATOM 0 HG LEU A 491 -18.870 5.803 -10.419 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -17.764 7.216 -12.126 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -16.597 6.656 -10.904 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -16.647 5.883 -12.506 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -19.695 5.769 -12.764 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -18.582 4.431 -13.134 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -19.919 4.185 -11.986 1.00 0.00 H new ATOM 150 N GLY A 492 -18.104 5.068 -7.899 1.00 0.00 N ATOM 151 CA GLY A 492 -18.750 5.912 -6.900 1.00 0.00 C ATOM 152 C GLY A 492 -17.724 6.454 -5.911 1.00 0.00 C ATOM 153 O GLY A 492 -17.445 7.653 -5.885 1.00 0.00 O ATOM 0 H GLY A 492 -18.501 4.133 -7.988 1.00 0.00 H new ATOM 0 HA2 GLY A 492 -19.262 6.739 -7.391 1.00 0.00 H new ATOM 0 HA3 GLY A 492 -19.509 5.339 -6.368 1.00 0.00 H new ATOM 157 N LEU A 493 -17.160 5.561 -5.106 1.00 0.00 N ATOM 158 CA LEU A 493 -16.161 5.957 -4.122 1.00 0.00 C ATOM 159 C LEU A 493 -15.101 6.841 -4.778 1.00 0.00 C ATOM 160 O LEU A 493 -14.414 7.612 -4.106 1.00 0.00 O ATOM 161 CB LEU A 493 -15.501 4.706 -3.520 1.00 0.00 C ATOM 162 CG LEU A 493 -15.371 4.856 -1.997 1.00 0.00 C ATOM 163 CD1 LEU A 493 -16.700 4.497 -1.327 1.00 0.00 C ATOM 164 CD2 LEU A 493 -14.278 3.913 -1.485 1.00 0.00 C ATOM 0 H LEU A 493 -17.376 4.564 -5.115 1.00 0.00 H new ATOM 0 HA LEU A 493 -16.648 6.522 -3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -16.095 3.823 -3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -14.517 4.556 -3.963 1.00 0.00 H new ATOM 0 HG LEU A 493 -15.111 5.887 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -16.604 4.605 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -17.482 5.164 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -16.962 3.466 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -14.184 4.018 -0.404 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -14.542 2.884 -1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -13.329 4.165 -1.958 1.00 0.00 H new ATOM 176 N GLY A 494 -14.975 6.717 -6.096 1.00 0.00 N ATOM 177 CA GLY A 494 -13.999 7.505 -6.838 1.00 0.00 C ATOM 178 C GLY A 494 -14.287 8.996 -6.708 1.00 0.00 C ATOM 179 O GLY A 494 -13.645 9.696 -5.926 1.00 0.00 O ATOM 0 H GLY A 494 -15.533 6.083 -6.668 1.00 0.00 H new ATOM 0 HA2 GLY A 494 -12.997 7.291 -6.467 1.00 0.00 H new ATOM 0 HA3 GLY A 494 -14.018 7.218 -7.889 1.00 0.00 H new ATOM 183 N ILE A 495 -15.256 9.477 -7.478 1.00 0.00 N ATOM 184 CA ILE A 495 -15.617 10.889 -7.436 1.00 0.00 C ATOM 185 C ILE A 495 -16.126 11.273 -6.050 1.00 0.00 C ATOM 186 O ILE A 495 -16.544 12.409 -5.825 1.00 0.00 O ATOM 187 CB ILE A 495 -16.699 11.180 -8.476 1.00 0.00 C ATOM 188 CG1 ILE A 495 -17.847 10.183 -8.309 1.00 0.00 C ATOM 189 CG2 ILE A 495 -16.106 11.042 -9.879 1.00 0.00 C ATOM 190 CD1 ILE A 495 -19.031 10.614 -9.178 1.00 0.00 C ATOM 0 H ILE A 495 -15.801 8.917 -8.133 1.00 0.00 H new ATOM 0 HA ILE A 495 -14.728 11.479 -7.659 1.00 0.00 H new ATOM 0 HB ILE A 495 -17.074 12.194 -8.337 1.00 0.00 H new ATOM 0 HG12 ILE A 495 -17.518 9.183 -8.594 1.00 0.00 H new ATOM 0 HG13 ILE A 495 -18.150 10.133 -7.263 1.00 0.00 H new ATOM 0 HG21 ILE A 495 -16.876 11.249 -10.622 1.00 0.00 H new ATOM 0 HG22 ILE A 495 -15.286 11.751 -9.999 1.00 0.00 H new ATOM 0 HG23 ILE A 495 -15.732 10.028 -10.018 1.00 0.00 H new ATOM 0 HD11 ILE A 495 -19.848 9.903 -9.058 1.00 0.00 H new ATOM 0 HD12 ILE A 495 -19.365 11.605 -8.872 1.00 0.00 H new ATOM 0 HD13 ILE A 495 -18.724 10.641 -10.224 1.00 0.00 H new ATOM 202 N ALA A 496 -16.091 10.318 -5.125 1.00 0.00 N ATOM 203 CA ALA A 496 -16.555 10.567 -3.764 1.00 0.00 C ATOM 204 C ALA A 496 -15.493 11.300 -2.950 1.00 0.00 C ATOM 205 O ALA A 496 -15.710 12.427 -2.507 1.00 0.00 O ATOM 206 CB ALA A 496 -16.897 9.244 -3.079 1.00 0.00 C ATOM 0 H ALA A 496 -15.749 9.372 -5.291 1.00 0.00 H new ATOM 0 HA ALA A 496 -17.445 11.193 -3.819 1.00 0.00 H new ATOM 0 HB1 ALA A 496 -17.242 9.439 -2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 496 -17.683 8.737 -3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 496 -16.010 8.612 -3.045 1.00 0.00 H new ATOM 212 N PHE A 497 -14.349 10.651 -2.744 1.00 0.00 N ATOM 213 CA PHE A 497 -13.274 11.259 -1.968 1.00 0.00 C ATOM 214 C PHE A 497 -12.997 12.684 -2.445 1.00 0.00 C ATOM 215 O PHE A 497 -12.931 13.613 -1.643 1.00 0.00 O ATOM 216 CB PHE A 497 -12.001 10.407 -2.058 1.00 0.00 C ATOM 217 CG PHE A 497 -11.394 10.496 -3.440 1.00 0.00 C ATOM 218 CD1 PHE A 497 -10.594 11.591 -3.787 1.00 0.00 C ATOM 219 CD2 PHE A 497 -11.621 9.475 -4.370 1.00 0.00 C ATOM 220 CE1 PHE A 497 -10.023 11.666 -5.063 1.00 0.00 C ATOM 221 CE2 PHE A 497 -11.048 9.548 -5.645 1.00 0.00 C ATOM 222 CZ PHE A 497 -10.250 10.643 -5.993 1.00 0.00 C ATOM 0 H PHE A 497 -14.145 9.717 -3.099 1.00 0.00 H new ATOM 0 HA PHE A 497 -13.590 11.305 -0.926 1.00 0.00 H new ATOM 0 HB2 PHE A 497 -11.278 10.745 -1.316 1.00 0.00 H new ATOM 0 HB3 PHE A 497 -12.235 9.368 -1.825 1.00 0.00 H new ATOM 0 HD1 PHE A 497 -10.417 12.379 -3.070 1.00 0.00 H new ATOM 0 HD2 PHE A 497 -12.239 8.630 -4.104 1.00 0.00 H new ATOM 0 HE1 PHE A 497 -9.408 12.512 -5.330 1.00 0.00 H new ATOM 0 HE2 PHE A 497 -11.222 8.758 -6.361 1.00 0.00 H new ATOM 0 HZ PHE A 497 -9.809 10.700 -6.977 1.00 0.00 H new ATOM 232 N ALA A 498 -12.845 12.850 -3.753 1.00 0.00 N ATOM 233 CA ALA A 498 -12.584 14.168 -4.322 1.00 0.00 C ATOM 234 C ALA A 498 -13.733 15.125 -4.012 1.00 0.00 C ATOM 235 O ALA A 498 -13.669 16.313 -4.330 1.00 0.00 O ATOM 236 CB ALA A 498 -12.410 14.056 -5.840 1.00 0.00 C ATOM 0 H ALA A 498 -12.897 12.095 -4.436 1.00 0.00 H new ATOM 0 HA ALA A 498 -11.669 14.559 -3.877 1.00 0.00 H new ATOM 0 HB1 ALA A 498 -12.216 15.044 -6.258 1.00 0.00 H new ATOM 0 HB2 ALA A 498 -11.571 13.396 -6.062 1.00 0.00 H new ATOM 0 HB3 ALA A 498 -13.319 13.648 -6.281 1.00 0.00 H new ATOM 242 N GLY A 499 -14.792 14.591 -3.415 1.00 0.00 N ATOM 243 CA GLY A 499 -15.966 15.395 -3.097 1.00 0.00 C ATOM 244 C GLY A 499 -15.605 16.717 -2.422 1.00 0.00 C ATOM 245 O GLY A 499 -16.013 17.780 -2.891 1.00 0.00 O ATOM 0 H GLY A 499 -14.862 13.611 -3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 499 -16.522 15.598 -4.012 1.00 0.00 H new ATOM 0 HA3 GLY A 499 -16.626 14.825 -2.443 1.00 0.00 H new ATOM 249 N SER A 500 -14.855 16.665 -1.319 1.00 0.00 N ATOM 250 CA SER A 500 -14.485 17.899 -0.619 1.00 0.00 C ATOM 251 C SER A 500 -13.022 17.907 -0.180 1.00 0.00 C ATOM 252 O SER A 500 -12.233 18.729 -0.647 1.00 0.00 O ATOM 253 CB SER A 500 -15.379 18.080 0.608 1.00 0.00 C ATOM 254 OG SER A 500 -15.031 19.290 1.268 1.00 0.00 O ATOM 0 H SER A 500 -14.499 15.806 -0.899 1.00 0.00 H new ATOM 0 HA SER A 500 -14.623 18.722 -1.321 1.00 0.00 H new ATOM 0 HB2 SER A 500 -16.427 18.104 0.309 1.00 0.00 H new ATOM 0 HB3 SER A 500 -15.261 17.235 1.286 1.00 0.00 H new ATOM 0 HG SER A 500 -15.603 19.410 2.054 1.00 0.00 H new ATOM 260 N LYS A 501 -12.668 17.007 0.738 1.00 0.00 N ATOM 261 CA LYS A 501 -11.297 16.943 1.252 1.00 0.00 C ATOM 262 C LYS A 501 -10.652 15.595 0.946 1.00 0.00 C ATOM 263 O LYS A 501 -9.433 15.501 0.823 1.00 0.00 O ATOM 264 CB LYS A 501 -11.311 17.180 2.772 1.00 0.00 C ATOM 265 CG LYS A 501 -9.978 17.794 3.234 1.00 0.00 C ATOM 266 CD LYS A 501 -8.890 16.706 3.345 1.00 0.00 C ATOM 267 CE LYS A 501 -7.750 16.994 2.360 1.00 0.00 C ATOM 268 NZ LYS A 501 -6.947 15.756 2.157 1.00 0.00 N ATOM 0 H LYS A 501 -13.304 16.318 1.139 1.00 0.00 H new ATOM 0 HA LYS A 501 -10.708 17.717 0.759 1.00 0.00 H new ATOM 0 HB2 LYS A 501 -12.134 17.844 3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 501 -11.483 16.237 3.291 1.00 0.00 H new ATOM 0 HG2 LYS A 501 -9.661 18.562 2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 501 -10.111 18.283 4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 501 -8.501 16.673 4.363 1.00 0.00 H new ATOM 0 HD3 LYS A 501 -9.322 15.727 3.137 1.00 0.00 H new ATOM 0 HE2 LYS A 501 -8.155 17.338 1.408 1.00 0.00 H new ATOM 0 HE3 LYS A 501 -7.116 17.793 2.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 501 -6.116 15.974 1.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 501 -6.634 15.390 3.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 501 -7.529 15.039 1.679 1.00 0.00 H new ATOM 282 N ASN A 502 -11.475 14.555 0.834 1.00 0.00 N ATOM 283 CA ASN A 502 -10.976 13.208 0.552 1.00 0.00 C ATOM 284 C ASN A 502 -10.573 12.504 1.846 1.00 0.00 C ATOM 285 O ASN A 502 -10.114 11.363 1.826 1.00 0.00 O ATOM 286 CB ASN A 502 -9.771 13.258 -0.399 1.00 0.00 C ATOM 287 CG ASN A 502 -9.973 14.336 -1.460 1.00 0.00 C ATOM 288 OD1 ASN A 502 -11.033 14.958 -1.524 1.00 0.00 O ATOM 289 ND2 ASN A 502 -9.012 14.596 -2.304 1.00 0.00 N ATOM 0 H ASN A 502 -12.488 14.617 0.934 1.00 0.00 H new ATOM 0 HA ASN A 502 -11.780 12.649 0.074 1.00 0.00 H new ATOM 0 HB2 ASN A 502 -8.862 13.462 0.167 1.00 0.00 H new ATOM 0 HB3 ASN A 502 -9.638 12.288 -0.878 1.00 0.00 H new ATOM 0 HD21 ASN A 502 -9.140 15.315 -3.017 1.00 0.00 H new ATOM 0 HD22 ASN A 502 -8.133 14.081 -2.251 1.00 0.00 H new ATOM 296 N ASP A 503 -10.746 13.195 2.969 1.00 0.00 N ATOM 297 CA ASP A 503 -10.395 12.627 4.268 1.00 0.00 C ATOM 298 C ASP A 503 -11.471 11.656 4.745 1.00 0.00 C ATOM 299 O ASP A 503 -11.221 10.810 5.605 1.00 0.00 O ATOM 300 CB ASP A 503 -10.224 13.746 5.297 1.00 0.00 C ATOM 301 CG ASP A 503 -11.477 14.613 5.338 1.00 0.00 C ATOM 302 OD1 ASP A 503 -12.342 14.409 4.502 1.00 0.00 O ATOM 303 OD2 ASP A 503 -11.554 15.468 6.205 1.00 0.00 O ATOM 0 H ASP A 503 -11.124 14.142 3.007 1.00 0.00 H new ATOM 0 HA ASP A 503 -9.457 12.082 4.160 1.00 0.00 H new ATOM 0 HB2 ASP A 503 -10.035 13.319 6.282 1.00 0.00 H new ATOM 0 HB3 ASP A 503 -9.358 14.356 5.042 1.00 0.00 H new ATOM 308 N GLU A 504 -12.670 11.782 4.184 1.00 0.00 N ATOM 309 CA GLU A 504 -13.774 10.907 4.564 1.00 0.00 C ATOM 310 C GLU A 504 -13.510 9.489 4.080 1.00 0.00 C ATOM 311 O GLU A 504 -13.500 8.541 4.867 1.00 0.00 O ATOM 312 CB GLU A 504 -15.081 11.423 3.957 1.00 0.00 C ATOM 313 CG GLU A 504 -16.247 10.537 4.409 1.00 0.00 C ATOM 314 CD GLU A 504 -16.311 9.278 3.551 1.00 0.00 C ATOM 315 OE1 GLU A 504 -16.329 9.411 2.339 1.00 0.00 O ATOM 316 OE2 GLU A 504 -16.341 8.199 4.119 1.00 0.00 O ATOM 0 H GLU A 504 -12.901 12.474 3.472 1.00 0.00 H new ATOM 0 HA GLU A 504 -13.859 10.902 5.651 1.00 0.00 H new ATOM 0 HB2 GLU A 504 -15.254 12.454 4.266 1.00 0.00 H new ATOM 0 HB3 GLU A 504 -15.013 11.423 2.869 1.00 0.00 H new ATOM 0 HG2 GLU A 504 -16.123 10.266 5.457 1.00 0.00 H new ATOM 0 HG3 GLU A 504 -17.184 11.088 4.331 1.00 0.00 H new ATOM 323 N VAL A 505 -13.290 9.353 2.778 1.00 0.00 N ATOM 324 CA VAL A 505 -13.019 8.050 2.192 1.00 0.00 C ATOM 325 C VAL A 505 -11.772 7.440 2.829 1.00 0.00 C ATOM 326 O VAL A 505 -11.633 6.220 2.895 1.00 0.00 O ATOM 327 CB VAL A 505 -12.829 8.200 0.673 1.00 0.00 C ATOM 328 CG1 VAL A 505 -11.852 7.144 0.152 1.00 0.00 C ATOM 329 CG2 VAL A 505 -14.180 8.031 -0.031 1.00 0.00 C ATOM 0 H VAL A 505 -13.294 10.126 2.112 1.00 0.00 H new ATOM 0 HA VAL A 505 -13.862 7.385 2.379 1.00 0.00 H new ATOM 0 HB VAL A 505 -12.425 9.191 0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 505 -11.728 7.263 -0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 505 -10.887 7.266 0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 505 -12.244 6.149 0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 505 -14.045 8.137 -1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 505 -14.583 7.042 0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 505 -14.874 8.793 0.325 1.00 0.00 H new ATOM 339 N LEU A 506 -10.871 8.295 3.300 1.00 0.00 N ATOM 340 CA LEU A 506 -9.646 7.824 3.932 1.00 0.00 C ATOM 341 C LEU A 506 -9.968 7.071 5.220 1.00 0.00 C ATOM 342 O LEU A 506 -9.294 6.102 5.569 1.00 0.00 O ATOM 343 CB LEU A 506 -8.725 9.010 4.245 1.00 0.00 C ATOM 344 CG LEU A 506 -7.514 8.532 5.067 1.00 0.00 C ATOM 345 CD1 LEU A 506 -6.243 9.228 4.569 1.00 0.00 C ATOM 346 CD2 LEU A 506 -7.723 8.869 6.547 1.00 0.00 C ATOM 0 H LEU A 506 -10.965 9.310 3.257 1.00 0.00 H new ATOM 0 HA LEU A 506 -9.140 7.148 3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 506 -8.386 9.473 3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 506 -9.274 9.771 4.799 1.00 0.00 H new ATOM 0 HG LEU A 506 -7.412 7.453 4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 506 -5.389 8.887 5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 506 -6.084 8.986 3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 506 -6.351 10.307 4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 506 -6.863 8.528 7.123 1.00 0.00 H new ATOM 0 HD22 LEU A 506 -7.833 9.947 6.663 1.00 0.00 H new ATOM 0 HD23 LEU A 506 -8.623 8.372 6.910 1.00 0.00 H new ATOM 358 N GLY A 507 -10.998 7.529 5.923 1.00 0.00 N ATOM 359 CA GLY A 507 -11.399 6.895 7.173 1.00 0.00 C ATOM 360 C GLY A 507 -12.115 5.571 6.918 1.00 0.00 C ATOM 361 O GLY A 507 -12.122 4.686 7.773 1.00 0.00 O ATOM 0 H GLY A 507 -11.567 8.331 5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -10.520 6.722 7.794 1.00 0.00 H new ATOM 0 HA3 GLY A 507 -12.055 7.565 7.729 1.00 0.00 H new ATOM 365 N LEU A 508 -12.723 5.445 5.741 1.00 0.00 N ATOM 366 CA LEU A 508 -13.444 4.223 5.389 1.00 0.00 C ATOM 367 C LEU A 508 -12.501 3.194 4.763 1.00 0.00 C ATOM 368 O LEU A 508 -12.557 2.007 5.089 1.00 0.00 O ATOM 369 CB LEU A 508 -14.577 4.556 4.402 1.00 0.00 C ATOM 370 CG LEU A 508 -15.938 4.410 5.093 1.00 0.00 C ATOM 371 CD1 LEU A 508 -16.106 5.514 6.139 1.00 0.00 C ATOM 372 CD2 LEU A 508 -17.050 4.530 4.047 1.00 0.00 C ATOM 0 H LEU A 508 -12.732 6.167 5.020 1.00 0.00 H new ATOM 0 HA LEU A 508 -13.864 3.796 6.300 1.00 0.00 H new ATOM 0 HB2 LEU A 508 -14.457 5.573 4.029 1.00 0.00 H new ATOM 0 HB3 LEU A 508 -14.525 3.892 3.539 1.00 0.00 H new ATOM 0 HG LEU A 508 -15.994 3.437 5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 508 -17.074 5.407 6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 508 -15.313 5.434 6.883 1.00 0.00 H new ATOM 0 HD13 LEU A 508 -16.051 6.488 5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 508 -18.020 4.427 4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 508 -16.989 5.504 3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 508 -16.933 3.745 3.300 1.00 0.00 H new ATOM 384 N LEU A 509 -11.646 3.652 3.855 1.00 0.00 N ATOM 385 CA LEU A 509 -10.710 2.758 3.182 1.00 0.00 C ATOM 386 C LEU A 509 -9.742 2.131 4.184 1.00 0.00 C ATOM 387 O LEU A 509 -9.484 0.928 4.137 1.00 0.00 O ATOM 388 CB LEU A 509 -9.927 3.536 2.110 1.00 0.00 C ATOM 389 CG LEU A 509 -9.923 2.757 0.788 1.00 0.00 C ATOM 390 CD1 LEU A 509 -9.343 3.638 -0.322 1.00 0.00 C ATOM 391 CD2 LEU A 509 -9.064 1.500 0.937 1.00 0.00 C ATOM 0 H LEU A 509 -11.581 4.629 3.569 1.00 0.00 H new ATOM 0 HA LEU A 509 -11.276 1.957 2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -10.377 4.517 1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -8.903 3.702 2.446 1.00 0.00 H new ATOM 0 HG LEU A 509 -10.944 2.472 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -9.340 3.085 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -9.953 4.535 -0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -8.323 3.922 -0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -9.062 0.947 -0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -8.043 1.785 1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -9.474 0.871 1.727 1.00 0.00 H new ATOM 403 N LEU A 510 -9.208 2.948 5.085 1.00 0.00 N ATOM 404 CA LEU A 510 -8.269 2.450 6.085 1.00 0.00 C ATOM 405 C LEU A 510 -8.814 1.184 6.755 1.00 0.00 C ATOM 406 O LEU A 510 -8.248 0.102 6.596 1.00 0.00 O ATOM 407 CB LEU A 510 -7.990 3.538 7.137 1.00 0.00 C ATOM 408 CG LEU A 510 -6.648 4.233 6.853 1.00 0.00 C ATOM 409 CD1 LEU A 510 -5.489 3.301 7.239 1.00 0.00 C ATOM 410 CD2 LEU A 510 -6.550 4.605 5.362 1.00 0.00 C ATOM 0 H LEU A 510 -9.406 3.947 5.145 1.00 0.00 H new ATOM 0 HA LEU A 510 -7.333 2.196 5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 510 -8.795 4.273 7.130 1.00 0.00 H new ATOM 0 HB3 LEU A 510 -7.972 3.093 8.132 1.00 0.00 H new ATOM 0 HG LEU A 510 -6.587 5.145 7.447 1.00 0.00 H new ATOM 0 HD11 LEU A 510 -4.540 3.797 7.036 1.00 0.00 H new ATOM 0 HD12 LEU A 510 -5.553 3.061 8.300 1.00 0.00 H new ATOM 0 HD13 LEU A 510 -5.550 2.383 6.655 1.00 0.00 H new ATOM 0 HD21 LEU A 510 -5.596 5.097 5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 510 -6.620 3.702 4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 510 -7.365 5.281 5.101 1.00 0.00 H new ATOM 422 N PRO A 511 -9.890 1.293 7.492 1.00 0.00 N ATOM 423 CA PRO A 511 -10.500 0.124 8.185 1.00 0.00 C ATOM 424 C PRO A 511 -10.640 -1.079 7.252 1.00 0.00 C ATOM 425 O PRO A 511 -10.325 -2.209 7.628 1.00 0.00 O ATOM 426 CB PRO A 511 -11.880 0.618 8.654 1.00 0.00 C ATOM 427 CG PRO A 511 -12.014 2.046 8.206 1.00 0.00 C ATOM 428 CD PRO A 511 -10.636 2.527 7.748 1.00 0.00 C ATOM 0 HA PRO A 511 -9.879 -0.218 9.012 1.00 0.00 H new ATOM 0 HB2 PRO A 511 -12.674 0.005 8.228 1.00 0.00 H new ATOM 0 HB3 PRO A 511 -11.967 0.545 9.738 1.00 0.00 H new ATOM 0 HG2 PRO A 511 -12.735 2.124 7.392 1.00 0.00 H new ATOM 0 HG3 PRO A 511 -12.384 2.668 9.021 1.00 0.00 H new ATOM 0 HD2 PRO A 511 -10.707 3.142 6.851 1.00 0.00 H new ATOM 0 HD3 PRO A 511 -10.152 3.134 8.513 1.00 0.00 H new ATOM 436 N ILE A 512 -11.118 -0.828 6.038 1.00 0.00 N ATOM 437 CA ILE A 512 -11.301 -1.899 5.062 1.00 0.00 C ATOM 438 C ILE A 512 -9.963 -2.321 4.462 1.00 0.00 C ATOM 439 O ILE A 512 -9.842 -3.407 3.895 1.00 0.00 O ATOM 440 CB ILE A 512 -12.239 -1.431 3.949 1.00 0.00 C ATOM 441 CG1 ILE A 512 -13.621 -1.136 4.540 1.00 0.00 C ATOM 442 CG2 ILE A 512 -12.363 -2.526 2.886 1.00 0.00 C ATOM 443 CD1 ILE A 512 -14.472 -0.395 3.508 1.00 0.00 C ATOM 0 H ILE A 512 -11.384 0.099 5.707 1.00 0.00 H new ATOM 0 HA ILE A 512 -11.738 -2.757 5.572 1.00 0.00 H new ATOM 0 HB ILE A 512 -11.836 -0.527 3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 512 -14.110 -2.066 4.829 1.00 0.00 H new ATOM 0 HG13 ILE A 512 -13.521 -0.534 5.443 1.00 0.00 H new ATOM 0 HG21 ILE A 512 -13.032 -2.190 2.094 1.00 0.00 H new ATOM 0 HG22 ILE A 512 -11.380 -2.738 2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 512 -12.765 -3.431 3.341 1.00 0.00 H new ATOM 0 HD11 ILE A 512 -15.455 -0.186 3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 512 -13.985 0.543 3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 512 -14.584 -1.013 2.617 1.00 0.00 H new ATOM 455 N ALA A 513 -8.961 -1.456 4.589 1.00 0.00 N ATOM 456 CA ALA A 513 -7.636 -1.753 4.054 1.00 0.00 C ATOM 457 C ALA A 513 -6.871 -2.676 4.995 1.00 0.00 C ATOM 458 O ALA A 513 -6.118 -3.544 4.553 1.00 0.00 O ATOM 459 CB ALA A 513 -6.850 -0.455 3.857 1.00 0.00 C ATOM 0 H ALA A 513 -9.040 -0.551 5.053 1.00 0.00 H new ATOM 0 HA ALA A 513 -7.757 -2.254 3.094 1.00 0.00 H new ATOM 0 HB1 ALA A 513 -5.862 -0.685 3.458 1.00 0.00 H new ATOM 0 HB2 ALA A 513 -7.383 0.190 3.159 1.00 0.00 H new ATOM 0 HB3 ALA A 513 -6.744 0.055 4.814 1.00 0.00 H new ATOM 465 N ALA A 514 -7.068 -2.483 6.296 1.00 0.00 N ATOM 466 CA ALA A 514 -6.390 -3.305 7.291 1.00 0.00 C ATOM 467 C ALA A 514 -7.125 -4.627 7.483 1.00 0.00 C ATOM 468 O ALA A 514 -6.736 -5.451 8.312 1.00 0.00 O ATOM 469 CB ALA A 514 -6.320 -2.558 8.624 1.00 0.00 C ATOM 0 H ALA A 514 -7.687 -1.770 6.683 1.00 0.00 H new ATOM 0 HA ALA A 514 -5.380 -3.512 6.938 1.00 0.00 H new ATOM 0 HB1 ALA A 514 -5.812 -3.178 9.362 1.00 0.00 H new ATOM 0 HB2 ALA A 514 -5.769 -1.627 8.491 1.00 0.00 H new ATOM 0 HB3 ALA A 514 -7.329 -2.335 8.970 1.00 0.00 H new ATOM 475 N SER A 515 -8.190 -4.823 6.712 1.00 0.00 N ATOM 476 CA SER A 515 -8.975 -6.049 6.800 1.00 0.00 C ATOM 477 C SER A 515 -8.492 -7.068 5.773 1.00 0.00 C ATOM 478 O SER A 515 -9.243 -7.476 4.886 1.00 0.00 O ATOM 479 CB SER A 515 -10.454 -5.740 6.560 1.00 0.00 C ATOM 480 OG SER A 515 -10.984 -5.074 7.699 1.00 0.00 O ATOM 0 H SER A 515 -8.528 -4.152 6.022 1.00 0.00 H new ATOM 0 HA SER A 515 -8.850 -6.469 7.798 1.00 0.00 H new ATOM 0 HB2 SER A 515 -10.568 -5.116 5.673 1.00 0.00 H new ATOM 0 HB3 SER A 515 -11.005 -6.662 6.374 1.00 0.00 H new ATOM 0 HG SER A 515 -10.753 -4.122 7.658 1.00 0.00 H new ATOM 486 N THR A 516 -7.232 -7.472 5.899 1.00 0.00 N ATOM 487 CA THR A 516 -6.652 -8.442 4.977 1.00 0.00 C ATOM 488 C THR A 516 -7.593 -9.625 4.770 1.00 0.00 C ATOM 489 O THR A 516 -7.396 -10.435 3.864 1.00 0.00 O ATOM 490 CB THR A 516 -5.314 -8.945 5.525 1.00 0.00 C ATOM 491 OG1 THR A 516 -4.994 -10.188 4.917 1.00 0.00 O ATOM 492 CG2 THR A 516 -5.416 -9.127 7.040 1.00 0.00 C ATOM 0 H THR A 516 -6.596 -7.145 6.626 1.00 0.00 H new ATOM 0 HA THR A 516 -6.494 -7.949 4.018 1.00 0.00 H new ATOM 0 HB THR A 516 -4.533 -8.218 5.302 1.00 0.00 H new ATOM 0 HG1 THR A 516 -5.615 -10.361 4.179 1.00 0.00 H new ATOM 0 HG21 THR A 516 -4.463 -9.485 7.428 1.00 0.00 H new ATOM 0 HG22 THR A 516 -5.662 -8.173 7.505 1.00 0.00 H new ATOM 0 HG23 THR A 516 -6.196 -9.853 7.267 1.00 0.00 H new ATOM 500 N ASP A 517 -8.616 -9.722 5.615 1.00 0.00 N ATOM 501 CA ASP A 517 -9.578 -10.815 5.510 1.00 0.00 C ATOM 502 C ASP A 517 -9.948 -11.067 4.051 1.00 0.00 C ATOM 503 O ASP A 517 -10.237 -12.199 3.661 1.00 0.00 O ATOM 504 CB ASP A 517 -10.840 -10.481 6.309 1.00 0.00 C ATOM 505 CG ASP A 517 -11.658 -11.745 6.544 1.00 0.00 C ATOM 506 OD1 ASP A 517 -12.070 -12.352 5.568 1.00 0.00 O ATOM 507 OD2 ASP A 517 -11.865 -12.090 7.697 1.00 0.00 O ATOM 0 H ASP A 517 -8.799 -9.064 6.373 1.00 0.00 H new ATOM 0 HA ASP A 517 -9.119 -11.716 5.917 1.00 0.00 H new ATOM 0 HB2 ASP A 517 -10.567 -10.032 7.264 1.00 0.00 H new ATOM 0 HB3 ASP A 517 -11.438 -9.746 5.770 1.00 0.00 H new ATOM 512 N LEU A 518 -9.934 -10.006 3.249 1.00 0.00 N ATOM 513 CA LEU A 518 -10.268 -10.122 1.832 1.00 0.00 C ATOM 514 C LEU A 518 -8.997 -10.074 0.983 1.00 0.00 C ATOM 515 O LEU A 518 -8.008 -9.455 1.376 1.00 0.00 O ATOM 516 CB LEU A 518 -11.202 -8.977 1.419 1.00 0.00 C ATOM 517 CG LEU A 518 -10.718 -7.660 2.047 1.00 0.00 C ATOM 518 CD1 LEU A 518 -10.982 -6.501 1.082 1.00 0.00 C ATOM 519 CD2 LEU A 518 -11.471 -7.403 3.356 1.00 0.00 C ATOM 0 H LEU A 518 -9.697 -9.062 3.553 1.00 0.00 H new ATOM 0 HA LEU A 518 -10.770 -11.076 1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 518 -11.224 -8.887 0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 518 -12.221 -9.192 1.741 1.00 0.00 H new ATOM 0 HG LEU A 518 -9.649 -7.734 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 518 -10.638 -5.569 1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 518 -10.446 -6.675 0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 518 -12.051 -6.433 0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 518 -11.125 -6.469 3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 518 -12.540 -7.334 3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 518 -11.285 -8.223 4.050 1.00 0.00 H new ATOM 531 N PRO A 519 -9.000 -10.709 -0.164 1.00 0.00 N ATOM 532 CA PRO A 519 -7.819 -10.727 -1.069 1.00 0.00 C ATOM 533 C PRO A 519 -7.205 -9.337 -1.226 1.00 0.00 C ATOM 534 O PRO A 519 -7.911 -8.330 -1.196 1.00 0.00 O ATOM 535 CB PRO A 519 -8.365 -11.244 -2.414 1.00 0.00 C ATOM 536 CG PRO A 519 -9.836 -11.491 -2.223 1.00 0.00 C ATOM 537 CD PRO A 519 -10.119 -11.475 -0.723 1.00 0.00 C ATOM 0 HA PRO A 519 -7.020 -11.355 -0.675 1.00 0.00 H new ATOM 0 HB2 PRO A 519 -8.196 -10.514 -3.206 1.00 0.00 H new ATOM 0 HB3 PRO A 519 -7.855 -12.160 -2.711 1.00 0.00 H new ATOM 0 HG2 PRO A 519 -10.421 -10.724 -2.731 1.00 0.00 H new ATOM 0 HG3 PRO A 519 -10.122 -12.450 -2.656 1.00 0.00 H new ATOM 0 HD2 PRO A 519 -11.077 -11.004 -0.502 1.00 0.00 H new ATOM 0 HD3 PRO A 519 -10.158 -12.484 -0.312 1.00 0.00 H new ATOM 545 N ILE A 520 -5.887 -9.291 -1.393 1.00 0.00 N ATOM 546 CA ILE A 520 -5.192 -8.018 -1.553 1.00 0.00 C ATOM 547 C ILE A 520 -5.501 -7.406 -2.916 1.00 0.00 C ATOM 548 O ILE A 520 -5.413 -6.191 -3.096 1.00 0.00 O ATOM 549 CB ILE A 520 -3.684 -8.225 -1.412 1.00 0.00 C ATOM 550 CG1 ILE A 520 -3.218 -9.295 -2.404 1.00 0.00 C ATOM 551 CG2 ILE A 520 -3.364 -8.681 0.013 1.00 0.00 C ATOM 552 CD1 ILE A 520 -1.688 -9.399 -2.384 1.00 0.00 C ATOM 0 H ILE A 520 -5.283 -10.112 -1.421 1.00 0.00 H new ATOM 0 HA ILE A 520 -5.538 -7.336 -0.776 1.00 0.00 H new ATOM 0 HB ILE A 520 -3.169 -7.287 -1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 520 -3.659 -10.258 -2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 520 -3.561 -9.045 -3.408 1.00 0.00 H new ATOM 0 HG21 ILE A 520 -2.289 -8.829 0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 520 -3.694 -7.921 0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 520 -3.880 -9.618 0.220 1.00 0.00 H new ATOM 0 HD11 ILE A 520 -1.366 -10.162 -3.092 1.00 0.00 H new ATOM 0 HD12 ILE A 520 -1.254 -8.439 -2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 520 -1.355 -9.670 -1.382 1.00 0.00 H new ATOM 564 N GLU A 521 -5.862 -8.255 -3.873 1.00 0.00 N ATOM 565 CA GLU A 521 -6.182 -7.785 -5.215 1.00 0.00 C ATOM 566 C GLU A 521 -7.201 -6.653 -5.155 1.00 0.00 C ATOM 567 O GLU A 521 -7.191 -5.751 -5.993 1.00 0.00 O ATOM 568 CB GLU A 521 -6.745 -8.936 -6.052 1.00 0.00 C ATOM 569 CG GLU A 521 -7.110 -8.424 -7.447 1.00 0.00 C ATOM 570 CD GLU A 521 -7.376 -9.599 -8.380 1.00 0.00 C ATOM 571 OE1 GLU A 521 -7.875 -10.607 -7.907 1.00 0.00 O ATOM 572 OE2 GLU A 521 -7.077 -9.474 -9.557 1.00 0.00 O ATOM 0 H GLU A 521 -5.940 -9.264 -3.745 1.00 0.00 H new ATOM 0 HA GLU A 521 -5.268 -7.413 -5.678 1.00 0.00 H new ATOM 0 HB2 GLU A 521 -6.010 -9.737 -6.128 1.00 0.00 H new ATOM 0 HB3 GLU A 521 -7.625 -9.356 -5.566 1.00 0.00 H new ATOM 0 HG2 GLU A 521 -7.993 -7.787 -7.390 1.00 0.00 H new ATOM 0 HG3 GLU A 521 -6.300 -7.811 -7.842 1.00 0.00 H new ATOM 579 N THR A 522 -8.079 -6.706 -4.159 1.00 0.00 N ATOM 580 CA THR A 522 -9.101 -5.678 -3.998 1.00 0.00 C ATOM 581 C THR A 522 -8.505 -4.433 -3.345 1.00 0.00 C ATOM 582 O THR A 522 -8.667 -3.320 -3.844 1.00 0.00 O ATOM 583 CB THR A 522 -10.254 -6.221 -3.138 1.00 0.00 C ATOM 584 OG1 THR A 522 -10.099 -7.625 -2.981 1.00 0.00 O ATOM 585 CG2 THR A 522 -11.595 -5.931 -3.817 1.00 0.00 C ATOM 0 H THR A 522 -8.104 -7.444 -3.456 1.00 0.00 H new ATOM 0 HA THR A 522 -9.484 -5.406 -4.982 1.00 0.00 H new ATOM 0 HB THR A 522 -10.235 -5.734 -2.163 1.00 0.00 H new ATOM 0 HG1 THR A 522 -9.462 -7.805 -2.258 1.00 0.00 H new ATOM 0 HG21 THR A 522 -12.406 -6.319 -3.201 1.00 0.00 H new ATOM 0 HG22 THR A 522 -11.715 -4.855 -3.940 1.00 0.00 H new ATOM 0 HG23 THR A 522 -11.620 -6.413 -4.795 1.00 0.00 H new ATOM 593 N ALA A 523 -7.817 -4.631 -2.225 1.00 0.00 N ATOM 594 CA ALA A 523 -7.202 -3.520 -1.510 1.00 0.00 C ATOM 595 C ALA A 523 -6.122 -2.863 -2.365 1.00 0.00 C ATOM 596 O ALA A 523 -5.821 -1.681 -2.201 1.00 0.00 O ATOM 597 CB ALA A 523 -6.587 -4.018 -0.201 1.00 0.00 C ATOM 0 H ALA A 523 -7.672 -5.545 -1.796 1.00 0.00 H new ATOM 0 HA ALA A 523 -7.974 -2.782 -1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 523 -6.129 -3.182 0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 523 -7.365 -4.459 0.422 1.00 0.00 H new ATOM 0 HB3 ALA A 523 -5.828 -4.769 -0.418 1.00 0.00 H new ATOM 603 N ALA A 524 -5.545 -3.638 -3.279 1.00 0.00 N ATOM 604 CA ALA A 524 -4.500 -3.118 -4.155 1.00 0.00 C ATOM 605 C ALA A 524 -5.023 -1.942 -4.973 1.00 0.00 C ATOM 606 O ALA A 524 -4.492 -0.835 -4.894 1.00 0.00 O ATOM 607 CB ALA A 524 -4.014 -4.221 -5.098 1.00 0.00 C ATOM 0 H ALA A 524 -5.780 -4.619 -3.432 1.00 0.00 H new ATOM 0 HA ALA A 524 -3.670 -2.776 -3.537 1.00 0.00 H new ATOM 0 HB1 ALA A 524 -3.234 -3.826 -5.749 1.00 0.00 H new ATOM 0 HB2 ALA A 524 -3.613 -5.049 -4.513 1.00 0.00 H new ATOM 0 HB3 ALA A 524 -4.848 -4.575 -5.704 1.00 0.00 H new ATOM 613 N MET A 525 -6.066 -2.191 -5.757 1.00 0.00 N ATOM 614 CA MET A 525 -6.654 -1.145 -6.586 1.00 0.00 C ATOM 615 C MET A 525 -7.093 0.037 -5.727 1.00 0.00 C ATOM 616 O MET A 525 -6.664 1.170 -5.946 1.00 0.00 O ATOM 617 CB MET A 525 -7.857 -1.698 -7.352 1.00 0.00 C ATOM 618 CG MET A 525 -7.373 -2.641 -8.454 1.00 0.00 C ATOM 619 SD MET A 525 -6.684 -1.671 -9.818 1.00 0.00 S ATOM 620 CE MET A 525 -6.392 -3.050 -10.952 1.00 0.00 C ATOM 0 H MET A 525 -6.519 -3.101 -5.836 1.00 0.00 H new ATOM 0 HA MET A 525 -5.900 -0.803 -7.295 1.00 0.00 H new ATOM 0 HB2 MET A 525 -8.522 -2.229 -6.671 1.00 0.00 H new ATOM 0 HB3 MET A 525 -8.432 -0.880 -7.786 1.00 0.00 H new ATOM 0 HG2 MET A 525 -6.618 -3.321 -8.060 1.00 0.00 H new ATOM 0 HG3 MET A 525 -8.200 -3.255 -8.811 1.00 0.00 H new ATOM 0 HE1 MET A 525 -5.960 -2.673 -11.879 1.00 0.00 H new ATOM 0 HE2 MET A 525 -5.703 -3.759 -10.493 1.00 0.00 H new ATOM 0 HE3 MET A 525 -7.336 -3.549 -11.168 1.00 0.00 H new ATOM 630 N ALA A 526 -7.952 -0.235 -4.750 1.00 0.00 N ATOM 631 CA ALA A 526 -8.443 0.814 -3.863 1.00 0.00 C ATOM 632 C ALA A 526 -7.281 1.608 -3.275 1.00 0.00 C ATOM 633 O ALA A 526 -7.318 2.837 -3.229 1.00 0.00 O ATOM 634 CB ALA A 526 -9.268 0.199 -2.732 1.00 0.00 C ATOM 0 H ALA A 526 -8.320 -1.166 -4.553 1.00 0.00 H new ATOM 0 HA ALA A 526 -9.071 1.489 -4.444 1.00 0.00 H new ATOM 0 HB1 ALA A 526 -9.630 0.989 -2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 526 -10.116 -0.341 -3.153 1.00 0.00 H new ATOM 0 HB3 ALA A 526 -8.646 -0.491 -2.161 1.00 0.00 H new ATOM 640 N SER A 527 -6.251 0.897 -2.826 1.00 0.00 N ATOM 641 CA SER A 527 -5.084 1.549 -2.242 1.00 0.00 C ATOM 642 C SER A 527 -4.368 2.401 -3.285 1.00 0.00 C ATOM 643 O SER A 527 -3.850 3.474 -2.975 1.00 0.00 O ATOM 644 CB SER A 527 -4.120 0.498 -1.690 1.00 0.00 C ATOM 645 OG SER A 527 -2.918 1.137 -1.277 1.00 0.00 O ATOM 0 H SER A 527 -6.200 -0.121 -2.855 1.00 0.00 H new ATOM 0 HA SER A 527 -5.420 2.195 -1.431 1.00 0.00 H new ATOM 0 HB2 SER A 527 -4.576 -0.025 -0.849 1.00 0.00 H new ATOM 0 HB3 SER A 527 -3.905 -0.251 -2.452 1.00 0.00 H new ATOM 0 HG SER A 527 -2.297 0.467 -0.921 1.00 0.00 H new ATOM 651 N LEU A 528 -4.343 1.915 -4.522 1.00 0.00 N ATOM 652 CA LEU A 528 -3.687 2.642 -5.604 1.00 0.00 C ATOM 653 C LEU A 528 -4.235 4.063 -5.697 1.00 0.00 C ATOM 654 O LEU A 528 -3.481 5.035 -5.633 1.00 0.00 O ATOM 655 CB LEU A 528 -3.910 1.908 -6.933 1.00 0.00 C ATOM 656 CG LEU A 528 -2.716 2.138 -7.864 1.00 0.00 C ATOM 657 CD1 LEU A 528 -2.936 1.376 -9.172 1.00 0.00 C ATOM 658 CD2 LEU A 528 -2.581 3.634 -8.162 1.00 0.00 C ATOM 0 H LEU A 528 -4.765 1.029 -4.799 1.00 0.00 H new ATOM 0 HA LEU A 528 -2.618 2.693 -5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 528 -4.040 0.841 -6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 528 -4.825 2.265 -7.406 1.00 0.00 H new ATOM 0 HG LEU A 528 -1.806 1.780 -7.383 1.00 0.00 H new ATOM 0 HD11 LEU A 528 -2.087 1.539 -9.835 1.00 0.00 H new ATOM 0 HD12 LEU A 528 -3.032 0.311 -8.961 1.00 0.00 H new ATOM 0 HD13 LEU A 528 -3.846 1.734 -9.653 1.00 0.00 H new ATOM 0 HD21 LEU A 528 -1.731 3.798 -8.825 1.00 0.00 H new ATOM 0 HD22 LEU A 528 -3.491 3.993 -8.643 1.00 0.00 H new ATOM 0 HD23 LEU A 528 -2.425 4.178 -7.230 1.00 0.00 H new ATOM 670 N ALA A 529 -5.551 4.177 -5.846 1.00 0.00 N ATOM 671 CA ALA A 529 -6.187 5.485 -5.944 1.00 0.00 C ATOM 672 C ALA A 529 -5.863 6.333 -4.717 1.00 0.00 C ATOM 673 O ALA A 529 -5.453 7.487 -4.843 1.00 0.00 O ATOM 674 CB ALA A 529 -7.704 5.323 -6.068 1.00 0.00 C ATOM 0 H ALA A 529 -6.193 3.386 -5.901 1.00 0.00 H new ATOM 0 HA ALA A 529 -5.802 5.988 -6.831 1.00 0.00 H new ATOM 0 HB1 ALA A 529 -8.170 6.306 -6.141 1.00 0.00 H new ATOM 0 HB2 ALA A 529 -7.936 4.744 -6.962 1.00 0.00 H new ATOM 0 HB3 ALA A 529 -8.087 4.804 -5.190 1.00 0.00 H new ATOM 680 N LEU A 530 -6.048 5.754 -3.534 1.00 0.00 N ATOM 681 CA LEU A 530 -5.773 6.472 -2.293 1.00 0.00 C ATOM 682 C LEU A 530 -4.478 7.270 -2.417 1.00 0.00 C ATOM 683 O LEU A 530 -4.385 8.399 -1.936 1.00 0.00 O ATOM 684 CB LEU A 530 -5.662 5.477 -1.129 1.00 0.00 C ATOM 685 CG LEU A 530 -6.224 6.106 0.151 1.00 0.00 C ATOM 686 CD1 LEU A 530 -6.048 5.135 1.321 1.00 0.00 C ATOM 687 CD2 LEU A 530 -5.477 7.411 0.453 1.00 0.00 C ATOM 0 H LEU A 530 -6.384 4.799 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 530 -6.593 7.163 -2.099 1.00 0.00 H new ATOM 0 HB2 LEU A 530 -6.208 4.564 -1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 530 -4.620 5.195 -0.979 1.00 0.00 H new ATOM 0 HG LEU A 530 -7.284 6.318 0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 530 -6.448 5.584 2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 530 -6.582 4.209 1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 530 -4.988 4.920 1.459 1.00 0.00 H new ATOM 0 HD21 LEU A 530 -5.878 7.857 1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 530 -4.416 7.200 0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 530 -5.606 8.105 -0.378 1.00 0.00 H new ATOM 699 N ALA A 531 -3.485 6.677 -3.068 1.00 0.00 N ATOM 700 CA ALA A 531 -2.203 7.343 -3.255 1.00 0.00 C ATOM 701 C ALA A 531 -2.348 8.504 -4.233 1.00 0.00 C ATOM 702 O ALA A 531 -1.798 9.583 -4.016 1.00 0.00 O ATOM 703 CB ALA A 531 -1.170 6.349 -3.788 1.00 0.00 C ATOM 0 H ALA A 531 -3.542 5.742 -3.473 1.00 0.00 H new ATOM 0 HA ALA A 531 -1.868 7.729 -2.292 1.00 0.00 H new ATOM 0 HB1 ALA A 531 -0.215 6.855 -3.925 1.00 0.00 H new ATOM 0 HB2 ALA A 531 -1.049 5.533 -3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 531 -1.509 5.949 -4.744 1.00 0.00 H new ATOM 709 N HIS A 532 -3.096 8.273 -5.307 1.00 0.00 N ATOM 710 CA HIS A 532 -3.311 9.306 -6.313 1.00 0.00 C ATOM 711 C HIS A 532 -4.269 10.370 -5.783 1.00 0.00 C ATOM 712 O HIS A 532 -4.377 11.460 -6.343 1.00 0.00 O ATOM 713 CB HIS A 532 -3.881 8.677 -7.593 1.00 0.00 C ATOM 714 CG HIS A 532 -3.257 9.318 -8.804 1.00 0.00 C ATOM 715 ND1 HIS A 532 -2.350 8.648 -9.611 1.00 0.00 N ATOM 716 CD2 HIS A 532 -3.400 10.567 -9.358 1.00 0.00 C ATOM 717 CE1 HIS A 532 -1.986 9.489 -10.596 1.00 0.00 C ATOM 718 NE2 HIS A 532 -2.597 10.672 -10.489 1.00 0.00 N ATOM 0 H HIS A 532 -3.560 7.386 -5.502 1.00 0.00 H new ATOM 0 HA HIS A 532 -2.356 9.779 -6.542 1.00 0.00 H new ATOM 0 HB2 HIS A 532 -3.687 7.604 -7.598 1.00 0.00 H new ATOM 0 HB3 HIS A 532 -4.963 8.805 -7.620 1.00 0.00 H new ATOM 0 HD2 HIS A 532 -4.039 11.349 -8.974 1.00 0.00 H new ATOM 0 HE1 HIS A 532 -1.285 9.238 -11.378 1.00 0.00 H new ATOM 0 HE2 HIS A 532 -2.496 11.479 -11.105 1.00 0.00 H new ATOM 726 N VAL A 533 -4.961 10.042 -4.696 1.00 0.00 N ATOM 727 CA VAL A 533 -5.908 10.973 -4.090 1.00 0.00 C ATOM 728 C VAL A 533 -5.187 11.917 -3.130 1.00 0.00 C ATOM 729 O VAL A 533 -5.248 13.137 -3.280 1.00 0.00 O ATOM 730 CB VAL A 533 -6.990 10.194 -3.330 1.00 0.00 C ATOM 731 CG1 VAL A 533 -7.849 11.168 -2.520 1.00 0.00 C ATOM 732 CG2 VAL A 533 -7.883 9.429 -4.322 1.00 0.00 C ATOM 0 H VAL A 533 -4.885 9.144 -4.219 1.00 0.00 H new ATOM 0 HA VAL A 533 -6.372 11.562 -4.881 1.00 0.00 H new ATOM 0 HB VAL A 533 -6.510 9.483 -2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 533 -8.617 10.614 -1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 533 -7.220 11.703 -1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 533 -8.323 11.882 -3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 533 -8.648 8.879 -3.774 1.00 0.00 H new ATOM 0 HG22 VAL A 533 -8.361 10.135 -5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 533 -7.274 8.730 -4.895 1.00 0.00 H new ATOM 742 N PHE A 534 -4.506 11.341 -2.145 1.00 0.00 N ATOM 743 CA PHE A 534 -3.777 12.136 -1.162 1.00 0.00 C ATOM 744 C PHE A 534 -2.468 12.655 -1.754 1.00 0.00 C ATOM 745 O PHE A 534 -1.695 13.330 -1.073 1.00 0.00 O ATOM 746 CB PHE A 534 -3.492 11.294 0.089 1.00 0.00 C ATOM 747 CG PHE A 534 -4.438 11.693 1.200 1.00 0.00 C ATOM 748 CD1 PHE A 534 -5.777 11.291 1.156 1.00 0.00 C ATOM 749 CD2 PHE A 534 -3.974 12.467 2.271 1.00 0.00 C ATOM 750 CE1 PHE A 534 -6.654 11.662 2.183 1.00 0.00 C ATOM 751 CE2 PHE A 534 -4.850 12.839 3.297 1.00 0.00 C ATOM 752 CZ PHE A 534 -6.191 12.436 3.253 1.00 0.00 C ATOM 0 H PHE A 534 -4.443 10.332 -2.006 1.00 0.00 H new ATOM 0 HA PHE A 534 -4.393 12.991 -0.883 1.00 0.00 H new ATOM 0 HB2 PHE A 534 -3.610 10.235 -0.139 1.00 0.00 H new ATOM 0 HB3 PHE A 534 -2.460 11.438 0.408 1.00 0.00 H new ATOM 0 HD1 PHE A 534 -6.135 10.694 0.330 1.00 0.00 H new ATOM 0 HD2 PHE A 534 -2.940 12.777 2.305 1.00 0.00 H new ATOM 0 HE1 PHE A 534 -7.688 11.351 2.149 1.00 0.00 H new ATOM 0 HE2 PHE A 534 -4.492 13.437 4.122 1.00 0.00 H new ATOM 0 HZ PHE A 534 -6.867 12.723 4.045 1.00 0.00 H new ATOM 762 N VAL A 535 -2.222 12.334 -3.020 1.00 0.00 N ATOM 763 CA VAL A 535 -0.999 12.775 -3.681 1.00 0.00 C ATOM 764 C VAL A 535 -0.788 14.271 -3.466 1.00 0.00 C ATOM 765 O VAL A 535 0.287 14.804 -3.741 1.00 0.00 O ATOM 766 CB VAL A 535 -1.078 12.481 -5.180 1.00 0.00 C ATOM 767 CG1 VAL A 535 -2.282 13.209 -5.782 1.00 0.00 C ATOM 768 CG2 VAL A 535 0.204 12.964 -5.864 1.00 0.00 C ATOM 0 H VAL A 535 -2.846 11.776 -3.604 1.00 0.00 H new ATOM 0 HA VAL A 535 -0.158 12.232 -3.250 1.00 0.00 H new ATOM 0 HB VAL A 535 -1.190 11.408 -5.333 1.00 0.00 H new ATOM 0 HG11 VAL A 535 -2.337 12.999 -6.850 1.00 0.00 H new ATOM 0 HG12 VAL A 535 -3.195 12.865 -5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 535 -2.172 14.283 -5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 535 0.148 12.754 -6.932 1.00 0.00 H new ATOM 0 HG22 VAL A 535 0.316 14.037 -5.710 1.00 0.00 H new ATOM 0 HG23 VAL A 535 1.062 12.445 -5.437 1.00 0.00 H new ATOM 778 N GLY A 536 -1.822 14.940 -2.966 1.00 0.00 N ATOM 779 CA GLY A 536 -1.742 16.374 -2.708 1.00 0.00 C ATOM 780 C GLY A 536 -1.278 16.638 -1.279 1.00 0.00 C ATOM 781 O GLY A 536 -0.331 17.391 -1.053 1.00 0.00 O ATOM 0 H GLY A 536 -2.720 14.516 -2.733 1.00 0.00 H new ATOM 0 HA2 GLY A 536 -1.051 16.837 -3.412 1.00 0.00 H new ATOM 0 HA3 GLY A 536 -2.717 16.833 -2.870 1.00 0.00 H new ATOM 785 N THR A 537 -1.952 16.011 -0.319 1.00 0.00 N ATOM 786 CA THR A 537 -1.605 16.178 1.090 1.00 0.00 C ATOM 787 C THR A 537 -0.762 15.003 1.576 1.00 0.00 C ATOM 788 O THR A 537 -0.509 14.059 0.829 1.00 0.00 O ATOM 789 CB THR A 537 -2.879 16.277 1.932 1.00 0.00 C ATOM 790 OG1 THR A 537 -3.580 15.042 1.871 1.00 0.00 O ATOM 791 CG2 THR A 537 -3.766 17.397 1.389 1.00 0.00 C ATOM 0 H THR A 537 -2.739 15.385 -0.489 1.00 0.00 H new ATOM 0 HA THR A 537 -1.026 17.095 1.197 1.00 0.00 H new ATOM 0 HB THR A 537 -2.616 16.496 2.967 1.00 0.00 H new ATOM 0 HG1 THR A 537 -3.412 14.530 2.689 1.00 0.00 H new ATOM 0 HG21 THR A 537 -4.673 17.466 1.990 1.00 0.00 H new ATOM 0 HG22 THR A 537 -3.227 18.343 1.435 1.00 0.00 H new ATOM 0 HG23 THR A 537 -4.032 17.181 0.354 1.00 0.00 H new ATOM 799 N CYS A 538 -0.331 15.069 2.834 1.00 0.00 N ATOM 800 CA CYS A 538 0.483 14.005 3.416 1.00 0.00 C ATOM 801 C CYS A 538 -0.265 13.322 4.556 1.00 0.00 C ATOM 802 O CYS A 538 -1.075 13.946 5.242 1.00 0.00 O ATOM 803 CB CYS A 538 1.797 14.585 3.944 1.00 0.00 C ATOM 804 SG CYS A 538 2.825 13.247 4.599 1.00 0.00 S ATOM 0 H CYS A 538 -0.531 15.844 3.467 1.00 0.00 H new ATOM 0 HA CYS A 538 0.694 13.268 2.641 1.00 0.00 H new ATOM 0 HB2 CYS A 538 2.324 15.106 3.145 1.00 0.00 H new ATOM 0 HB3 CYS A 538 1.596 15.319 4.724 1.00 0.00 H new ATOM 0 HG CYS A 538 3.943 13.738 5.046 1.00 0.00 H new ATOM 810 N ASN A 539 0.011 12.037 4.753 1.00 0.00 N ATOM 811 CA ASN A 539 -0.642 11.278 5.814 1.00 0.00 C ATOM 812 C ASN A 539 0.090 9.960 6.053 1.00 0.00 C ATOM 813 O ASN A 539 0.163 9.110 5.166 1.00 0.00 O ATOM 814 CB ASN A 539 -2.103 11.005 5.434 1.00 0.00 C ATOM 815 CG ASN A 539 -2.974 10.954 6.686 1.00 0.00 C ATOM 816 OD1 ASN A 539 -3.738 11.884 6.950 1.00 0.00 O ATOM 817 ND2 ASN A 539 -2.905 9.919 7.478 1.00 0.00 N ATOM 0 H ASN A 539 0.678 11.502 4.196 1.00 0.00 H new ATOM 0 HA ASN A 539 -0.614 11.863 6.733 1.00 0.00 H new ATOM 0 HB2 ASN A 539 -2.463 11.785 4.763 1.00 0.00 H new ATOM 0 HB3 ASN A 539 -2.175 10.061 4.893 1.00 0.00 H new ATOM 0 HD21 ASN A 539 -3.484 9.879 8.317 1.00 0.00 H new ATOM 0 HD22 ASN A 539 -2.272 9.150 7.258 1.00 0.00 H new ATOM 824 N GLY A 540 0.634 9.800 7.256 1.00 0.00 N ATOM 825 CA GLY A 540 1.364 8.585 7.600 1.00 0.00 C ATOM 826 C GLY A 540 0.412 7.411 7.812 1.00 0.00 C ATOM 827 O GLY A 540 0.822 6.252 7.754 1.00 0.00 O ATOM 0 H GLY A 540 0.584 10.492 8.004 1.00 0.00 H new ATOM 0 HA2 GLY A 540 2.071 8.345 6.806 1.00 0.00 H new ATOM 0 HA3 GLY A 540 1.947 8.752 8.506 1.00 0.00 H new ATOM 831 N ASP A 541 -0.857 7.717 8.061 1.00 0.00 N ATOM 832 CA ASP A 541 -1.853 6.674 8.283 1.00 0.00 C ATOM 833 C ASP A 541 -1.883 5.701 7.108 1.00 0.00 C ATOM 834 O ASP A 541 -1.967 4.487 7.296 1.00 0.00 O ATOM 835 CB ASP A 541 -3.236 7.302 8.463 1.00 0.00 C ATOM 836 CG ASP A 541 -4.196 6.285 9.072 1.00 0.00 C ATOM 837 OD1 ASP A 541 -3.752 5.190 9.378 1.00 0.00 O ATOM 838 OD2 ASP A 541 -5.360 6.616 9.223 1.00 0.00 O ATOM 0 H ASP A 541 -1.218 8.669 8.114 1.00 0.00 H new ATOM 0 HA ASP A 541 -1.582 6.127 9.186 1.00 0.00 H new ATOM 0 HB2 ASP A 541 -3.165 8.179 9.107 1.00 0.00 H new ATOM 0 HB3 ASP A 541 -3.617 7.643 7.501 1.00 0.00 H new ATOM 843 N ILE A 542 -1.819 6.241 5.896 1.00 0.00 N ATOM 844 CA ILE A 542 -1.842 5.409 4.699 1.00 0.00 C ATOM 845 C ILE A 542 -0.682 4.418 4.708 1.00 0.00 C ATOM 846 O ILE A 542 -0.879 3.216 4.530 1.00 0.00 O ATOM 847 CB ILE A 542 -1.759 6.290 3.452 1.00 0.00 C ATOM 848 CG1 ILE A 542 -2.932 7.273 3.448 1.00 0.00 C ATOM 849 CG2 ILE A 542 -1.825 5.414 2.201 1.00 0.00 C ATOM 850 CD1 ILE A 542 -2.683 8.363 2.404 1.00 0.00 C ATOM 0 H ILE A 542 -1.751 7.243 5.717 1.00 0.00 H new ATOM 0 HA ILE A 542 -2.777 4.849 4.686 1.00 0.00 H new ATOM 0 HB ILE A 542 -0.819 6.842 3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 542 -3.860 6.747 3.225 1.00 0.00 H new ATOM 0 HG13 ILE A 542 -3.048 7.720 4.435 1.00 0.00 H new ATOM 0 HG21 ILE A 542 -1.766 6.043 1.313 1.00 0.00 H new ATOM 0 HG22 ILE A 542 -0.992 4.711 2.204 1.00 0.00 H new ATOM 0 HG23 ILE A 542 -2.765 4.862 2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 542 -3.519 9.063 2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 542 -1.764 8.896 2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 542 -2.588 7.908 1.418 1.00 0.00 H new ATOM 862 N THR A 543 0.529 4.929 4.916 1.00 0.00 N ATOM 863 CA THR A 543 1.712 4.076 4.945 1.00 0.00 C ATOM 864 C THR A 543 1.540 2.953 5.965 1.00 0.00 C ATOM 865 O THR A 543 2.189 1.913 5.872 1.00 0.00 O ATOM 866 CB THR A 543 2.949 4.905 5.301 1.00 0.00 C ATOM 867 OG1 THR A 543 2.920 6.127 4.578 1.00 0.00 O ATOM 868 CG2 THR A 543 4.213 4.123 4.939 1.00 0.00 C ATOM 0 H THR A 543 0.715 5.921 5.066 1.00 0.00 H new ATOM 0 HA THR A 543 1.842 3.637 3.956 1.00 0.00 H new ATOM 0 HB THR A 543 2.951 5.115 6.371 1.00 0.00 H new ATOM 0 HG1 THR A 543 3.710 6.660 4.805 1.00 0.00 H new ATOM 0 HG21 THR A 543 5.092 4.715 5.193 1.00 0.00 H new ATOM 0 HG22 THR A 543 4.233 3.186 5.495 1.00 0.00 H new ATOM 0 HG23 THR A 543 4.216 3.910 3.870 1.00 0.00 H new ATOM 876 N THR A 544 0.662 3.173 6.936 1.00 0.00 N ATOM 877 CA THR A 544 0.415 2.174 7.970 1.00 0.00 C ATOM 878 C THR A 544 -0.346 0.985 7.391 1.00 0.00 C ATOM 879 O THR A 544 0.063 -0.165 7.555 1.00 0.00 O ATOM 880 CB THR A 544 -0.390 2.793 9.117 1.00 0.00 C ATOM 881 OG1 THR A 544 0.076 4.113 9.360 1.00 0.00 O ATOM 882 CG2 THR A 544 -0.219 1.948 10.381 1.00 0.00 C ATOM 0 H THR A 544 0.113 4.027 7.030 1.00 0.00 H new ATOM 0 HA THR A 544 1.375 1.826 8.351 1.00 0.00 H new ATOM 0 HB THR A 544 -1.445 2.823 8.845 1.00 0.00 H new ATOM 0 HG1 THR A 544 -0.439 4.512 10.092 1.00 0.00 H new ATOM 0 HG21 THR A 544 -0.793 2.391 11.195 1.00 0.00 H new ATOM 0 HG22 THR A 544 -0.577 0.936 10.193 1.00 0.00 H new ATOM 0 HG23 THR A 544 0.835 1.914 10.656 1.00 0.00 H new ATOM 890 N SER A 545 -1.451 1.269 6.711 1.00 0.00 N ATOM 891 CA SER A 545 -2.256 0.215 6.108 1.00 0.00 C ATOM 892 C SER A 545 -1.471 -0.478 5.001 1.00 0.00 C ATOM 893 O SER A 545 -1.470 -1.705 4.897 1.00 0.00 O ATOM 894 CB SER A 545 -3.545 0.804 5.532 1.00 0.00 C ATOM 895 OG SER A 545 -3.239 2.005 4.835 1.00 0.00 O ATOM 0 H SER A 545 -1.807 2.213 6.564 1.00 0.00 H new ATOM 0 HA SER A 545 -2.507 -0.515 6.877 1.00 0.00 H new ATOM 0 HB2 SER A 545 -4.017 0.089 4.858 1.00 0.00 H new ATOM 0 HB3 SER A 545 -4.257 1.005 6.333 1.00 0.00 H new ATOM 0 HG SER A 545 -2.269 2.147 4.839 1.00 0.00 H new ATOM 901 N ILE A 546 -0.802 0.321 4.178 1.00 0.00 N ATOM 902 CA ILE A 546 -0.008 -0.213 3.080 1.00 0.00 C ATOM 903 C ILE A 546 1.039 -1.190 3.614 1.00 0.00 C ATOM 904 O ILE A 546 1.109 -2.338 3.175 1.00 0.00 O ATOM 905 CB ILE A 546 0.668 0.947 2.327 1.00 0.00 C ATOM 906 CG1 ILE A 546 -0.202 1.355 1.131 1.00 0.00 C ATOM 907 CG2 ILE A 546 2.054 0.525 1.826 1.00 0.00 C ATOM 908 CD1 ILE A 546 0.355 2.631 0.494 1.00 0.00 C ATOM 0 H ILE A 546 -0.794 1.338 4.250 1.00 0.00 H new ATOM 0 HA ILE A 546 -0.658 -0.753 2.391 1.00 0.00 H new ATOM 0 HB ILE A 546 0.781 1.790 3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 546 -0.225 0.551 0.396 1.00 0.00 H new ATOM 0 HG13 ILE A 546 -1.229 1.519 1.456 1.00 0.00 H new ATOM 0 HG21 ILE A 546 2.518 1.357 1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 546 2.677 0.243 2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 546 1.954 -0.325 1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 546 -0.267 2.915 -0.355 1.00 0.00 H new ATOM 0 HD12 ILE A 546 0.355 3.435 1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 546 1.375 2.452 0.153 1.00 0.00 H new ATOM 920 N MET A 547 1.852 -0.726 4.557 1.00 0.00 N ATOM 921 CA MET A 547 2.892 -1.567 5.138 1.00 0.00 C ATOM 922 C MET A 547 2.282 -2.816 5.768 1.00 0.00 C ATOM 923 O MET A 547 2.816 -3.916 5.630 1.00 0.00 O ATOM 924 CB MET A 547 3.671 -0.781 6.198 1.00 0.00 C ATOM 925 CG MET A 547 5.051 -1.418 6.414 1.00 0.00 C ATOM 926 SD MET A 547 6.284 -0.539 5.416 1.00 0.00 S ATOM 927 CE MET A 547 6.684 -1.893 4.282 1.00 0.00 C ATOM 0 H MET A 547 1.812 0.221 4.933 1.00 0.00 H new ATOM 0 HA MET A 547 3.573 -1.872 4.343 1.00 0.00 H new ATOM 0 HB2 MET A 547 3.785 0.256 5.883 1.00 0.00 H new ATOM 0 HB3 MET A 547 3.116 -0.770 7.136 1.00 0.00 H new ATOM 0 HG2 MET A 547 5.323 -1.374 7.469 1.00 0.00 H new ATOM 0 HG3 MET A 547 5.025 -2.471 6.135 1.00 0.00 H new ATOM 0 HE1 MET A 547 7.477 -1.577 3.604 1.00 0.00 H new ATOM 0 HE2 MET A 547 7.018 -2.759 4.853 1.00 0.00 H new ATOM 0 HE3 MET A 547 5.798 -2.159 3.706 1.00 0.00 H new ATOM 937 N ASP A 548 1.163 -2.636 6.462 1.00 0.00 N ATOM 938 CA ASP A 548 0.490 -3.757 7.111 1.00 0.00 C ATOM 939 C ASP A 548 0.172 -4.849 6.096 1.00 0.00 C ATOM 940 O ASP A 548 0.499 -6.018 6.304 1.00 0.00 O ATOM 941 CB ASP A 548 -0.804 -3.275 7.773 1.00 0.00 C ATOM 942 CG ASP A 548 -1.251 -4.274 8.835 1.00 0.00 C ATOM 943 OD1 ASP A 548 -0.734 -4.207 9.939 1.00 0.00 O ATOM 944 OD2 ASP A 548 -2.103 -5.092 8.531 1.00 0.00 O ATOM 0 H ASP A 548 0.706 -1.733 6.589 1.00 0.00 H new ATOM 0 HA ASP A 548 1.154 -4.168 7.871 1.00 0.00 H new ATOM 0 HB2 ASP A 548 -0.647 -2.296 8.226 1.00 0.00 H new ATOM 0 HB3 ASP A 548 -1.585 -3.157 7.021 1.00 0.00 H new ATOM 949 N ASN A 549 -0.466 -4.461 4.996 1.00 0.00 N ATOM 950 CA ASN A 549 -0.821 -5.417 3.954 1.00 0.00 C ATOM 951 C ASN A 549 0.422 -6.144 3.451 1.00 0.00 C ATOM 952 O ASN A 549 0.373 -7.334 3.139 1.00 0.00 O ATOM 953 CB ASN A 549 -1.504 -4.690 2.790 1.00 0.00 C ATOM 954 CG ASN A 549 -2.347 -5.672 1.982 1.00 0.00 C ATOM 955 OD1 ASN A 549 -1.959 -6.068 0.883 1.00 0.00 O ATOM 956 ND2 ASN A 549 -3.487 -6.088 2.464 1.00 0.00 N ATOM 0 H ASN A 549 -0.746 -3.499 4.804 1.00 0.00 H new ATOM 0 HA ASN A 549 -1.509 -6.150 4.374 1.00 0.00 H new ATOM 0 HB2 ASN A 549 -2.134 -3.886 3.172 1.00 0.00 H new ATOM 0 HB3 ASN A 549 -0.753 -4.229 2.148 1.00 0.00 H new ATOM 0 HD21 ASN A 549 -4.058 -6.743 1.930 1.00 0.00 H new ATOM 0 HD22 ASN A 549 -3.806 -5.758 3.375 1.00 0.00 H new ATOM 963 N PHE A 550 1.535 -5.420 3.376 1.00 0.00 N ATOM 964 CA PHE A 550 2.787 -6.009 2.912 1.00 0.00 C ATOM 965 C PHE A 550 3.203 -7.159 3.827 1.00 0.00 C ATOM 966 O PHE A 550 3.375 -8.292 3.379 1.00 0.00 O ATOM 967 CB PHE A 550 3.887 -4.937 2.882 1.00 0.00 C ATOM 968 CG PHE A 550 4.780 -5.144 1.678 1.00 0.00 C ATOM 969 CD1 PHE A 550 5.340 -6.402 1.428 1.00 0.00 C ATOM 970 CD2 PHE A 550 5.048 -4.075 0.813 1.00 0.00 C ATOM 971 CE1 PHE A 550 6.167 -6.592 0.314 1.00 0.00 C ATOM 972 CE2 PHE A 550 5.875 -4.265 -0.300 1.00 0.00 C ATOM 973 CZ PHE A 550 6.435 -5.524 -0.550 1.00 0.00 C ATOM 0 H PHE A 550 1.596 -4.434 3.628 1.00 0.00 H new ATOM 0 HA PHE A 550 2.641 -6.400 1.905 1.00 0.00 H new ATOM 0 HB2 PHE A 550 3.438 -3.945 2.845 1.00 0.00 H new ATOM 0 HB3 PHE A 550 4.478 -4.986 3.796 1.00 0.00 H new ATOM 0 HD1 PHE A 550 5.134 -7.227 2.094 1.00 0.00 H new ATOM 0 HD2 PHE A 550 4.616 -3.104 1.005 1.00 0.00 H new ATOM 0 HE1 PHE A 550 6.598 -7.563 0.121 1.00 0.00 H new ATOM 0 HE2 PHE A 550 6.081 -3.440 -0.966 1.00 0.00 H new ATOM 0 HZ PHE A 550 7.073 -5.671 -1.409 1.00 0.00 H new ATOM 983 N LEU A 551 3.361 -6.856 5.112 1.00 0.00 N ATOM 984 CA LEU A 551 3.755 -7.870 6.085 1.00 0.00 C ATOM 985 C LEU A 551 2.878 -9.114 5.947 1.00 0.00 C ATOM 986 O LEU A 551 3.282 -10.213 6.325 1.00 0.00 O ATOM 987 CB LEU A 551 3.628 -7.302 7.509 1.00 0.00 C ATOM 988 CG LEU A 551 4.998 -6.844 8.029 1.00 0.00 C ATOM 989 CD1 LEU A 551 5.937 -8.052 8.175 1.00 0.00 C ATOM 990 CD2 LEU A 551 5.608 -5.823 7.056 1.00 0.00 C ATOM 0 H LEU A 551 3.223 -5.924 5.502 1.00 0.00 H new ATOM 0 HA LEU A 551 4.791 -8.150 5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 551 2.932 -6.463 7.512 1.00 0.00 H new ATOM 0 HB3 LEU A 551 3.215 -8.060 8.174 1.00 0.00 H new ATOM 0 HG LEU A 551 4.869 -6.377 9.005 1.00 0.00 H new ATOM 0 HD11 LEU A 551 6.906 -7.717 8.544 1.00 0.00 H new ATOM 0 HD12 LEU A 551 5.507 -8.764 8.879 1.00 0.00 H new ATOM 0 HD13 LEU A 551 6.065 -8.533 7.205 1.00 0.00 H new ATOM 0 HD21 LEU A 551 6.580 -5.501 7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 551 5.730 -6.283 6.075 1.00 0.00 H new ATOM 0 HD23 LEU A 551 4.947 -4.960 6.973 1.00 0.00 H new ATOM 1002 N GLU A 552 1.676 -8.932 5.407 1.00 0.00 N ATOM 1003 CA GLU A 552 0.753 -10.050 5.233 1.00 0.00 C ATOM 1004 C GLU A 552 1.089 -10.839 3.971 1.00 0.00 C ATOM 1005 O GLU A 552 1.306 -12.050 4.026 1.00 0.00 O ATOM 1006 CB GLU A 552 -0.684 -9.530 5.144 1.00 0.00 C ATOM 1007 CG GLU A 552 -1.663 -10.680 5.393 1.00 0.00 C ATOM 1008 CD GLU A 552 -1.626 -11.087 6.862 1.00 0.00 C ATOM 1009 OE1 GLU A 552 -2.316 -10.459 7.648 1.00 0.00 O ATOM 1010 OE2 GLU A 552 -0.907 -12.021 7.180 1.00 0.00 O ATOM 0 H GLU A 552 1.321 -8.032 5.085 1.00 0.00 H new ATOM 0 HA GLU A 552 0.850 -10.711 6.094 1.00 0.00 H new ATOM 0 HB2 GLU A 552 -0.841 -8.740 5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 552 -0.863 -9.093 4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 552 -2.672 -10.375 5.117 1.00 0.00 H new ATOM 0 HG3 GLU A 552 -1.404 -11.532 4.764 1.00 0.00 H new ATOM 1017 N ARG A 553 1.130 -10.148 2.836 1.00 0.00 N ATOM 1018 CA ARG A 553 1.440 -10.800 1.566 1.00 0.00 C ATOM 1019 C ARG A 553 0.682 -12.121 1.446 1.00 0.00 C ATOM 1020 O ARG A 553 1.124 -13.150 1.956 1.00 0.00 O ATOM 1021 CB ARG A 553 2.951 -11.056 1.462 1.00 0.00 C ATOM 1022 CG ARG A 553 3.618 -9.933 0.660 1.00 0.00 C ATOM 1023 CD ARG A 553 5.120 -10.203 0.551 1.00 0.00 C ATOM 1024 NE ARG A 553 5.788 -9.853 1.800 1.00 0.00 N ATOM 1025 CZ ARG A 553 6.951 -10.403 2.136 1.00 0.00 C ATOM 1026 NH1 ARG A 553 8.051 -10.015 1.550 1.00 0.00 N ATOM 1027 NH2 ARG A 553 6.993 -11.333 3.051 1.00 0.00 N ATOM 0 H ARG A 553 0.954 -9.146 2.768 1.00 0.00 H new ATOM 0 HA ARG A 553 1.131 -10.143 0.753 1.00 0.00 H new ATOM 0 HB2 ARG A 553 3.388 -11.112 2.459 1.00 0.00 H new ATOM 0 HB3 ARG A 553 3.133 -12.016 0.980 1.00 0.00 H new ATOM 0 HG2 ARG A 553 3.176 -9.871 -0.335 1.00 0.00 H new ATOM 0 HG3 ARG A 553 3.445 -8.973 1.146 1.00 0.00 H new ATOM 0 HD2 ARG A 553 5.292 -11.254 0.321 1.00 0.00 H new ATOM 0 HD3 ARG A 553 5.542 -9.624 -0.270 1.00 0.00 H new ATOM 0 HE ARG A 553 5.355 -9.174 2.427 1.00 0.00 H new ATOM 0 HH11 ARG A 553 8.019 -9.289 0.834 1.00 0.00 H new ATOM 0 HH12 ARG A 553 8.943 -10.437 1.808 1.00 0.00 H new ATOM 0 HH21 ARG A 553 6.134 -11.638 3.508 1.00 0.00 H new ATOM 0 HH22 ARG A 553 7.885 -11.755 3.309 1.00 0.00 H new ATOM 1041 N THR A 554 -0.460 -12.082 0.767 1.00 0.00 N ATOM 1042 CA THR A 554 -1.268 -13.282 0.586 1.00 0.00 C ATOM 1043 C THR A 554 -0.616 -14.218 -0.426 1.00 0.00 C ATOM 1044 O THR A 554 0.229 -13.801 -1.218 1.00 0.00 O ATOM 1045 CB THR A 554 -2.669 -12.899 0.102 1.00 0.00 C ATOM 1046 OG1 THR A 554 -2.562 -11.990 -0.983 1.00 0.00 O ATOM 1047 CG2 THR A 554 -3.444 -12.244 1.246 1.00 0.00 C ATOM 0 H THR A 554 -0.844 -11.241 0.337 1.00 0.00 H new ATOM 0 HA THR A 554 -1.343 -13.796 1.544 1.00 0.00 H new ATOM 0 HB THR A 554 -3.198 -13.794 -0.226 1.00 0.00 H new ATOM 0 HG1 THR A 554 -1.667 -12.056 -1.378 1.00 0.00 H new ATOM 0 HG21 THR A 554 -4.441 -11.972 0.901 1.00 0.00 H new ATOM 0 HG22 THR A 554 -3.526 -12.944 2.077 1.00 0.00 H new ATOM 0 HG23 THR A 554 -2.917 -11.349 1.577 1.00 0.00 H new ATOM 1055 N ALA A 555 -1.015 -15.485 -0.393 1.00 0.00 N ATOM 1056 CA ALA A 555 -0.463 -16.474 -1.310 1.00 0.00 C ATOM 1057 C ALA A 555 -0.488 -15.951 -2.744 1.00 0.00 C ATOM 1058 O ALA A 555 0.160 -16.508 -3.628 1.00 0.00 O ATOM 1059 CB ALA A 555 -1.269 -17.771 -1.225 1.00 0.00 C ATOM 0 H ALA A 555 -1.714 -15.849 0.254 1.00 0.00 H new ATOM 0 HA ALA A 555 0.571 -16.668 -1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 555 -0.850 -18.505 -1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 555 -1.225 -18.161 -0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 555 -2.307 -17.573 -1.493 1.00 0.00 H new ATOM 1065 N ILE A 556 -1.241 -14.877 -2.964 1.00 0.00 N ATOM 1066 CA ILE A 556 -1.347 -14.284 -4.294 1.00 0.00 C ATOM 1067 C ILE A 556 0.047 -13.998 -4.858 1.00 0.00 C ATOM 1068 O ILE A 556 0.200 -13.678 -6.037 1.00 0.00 O ATOM 1069 CB ILE A 556 -2.190 -12.989 -4.212 1.00 0.00 C ATOM 1070 CG1 ILE A 556 -3.429 -13.112 -5.110 1.00 0.00 C ATOM 1071 CG2 ILE A 556 -1.374 -11.766 -4.655 1.00 0.00 C ATOM 1072 CD1 ILE A 556 -4.462 -14.022 -4.439 1.00 0.00 C ATOM 0 H ILE A 556 -1.784 -14.402 -2.243 1.00 0.00 H new ATOM 0 HA ILE A 556 -1.843 -14.983 -4.968 1.00 0.00 H new ATOM 0 HB ILE A 556 -2.492 -12.854 -3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -3.860 -12.127 -5.290 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -3.148 -13.519 -6.081 1.00 0.00 H new ATOM 0 HG21 ILE A 556 -1.993 -10.871 -4.587 1.00 0.00 H new ATOM 0 HG22 ILE A 556 -0.504 -11.656 -4.008 1.00 0.00 H new ATOM 0 HG23 ILE A 556 -1.045 -11.902 -5.685 1.00 0.00 H new ATOM 0 HD11 ILE A 556 -5.341 -14.108 -5.078 1.00 0.00 H new ATOM 0 HD12 ILE A 556 -4.029 -15.010 -4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 556 -4.752 -13.597 -3.478 1.00 0.00 H new ATOM 1084 N GLU A 557 1.057 -14.115 -4.003 1.00 0.00 N ATOM 1085 CA GLU A 557 2.434 -13.862 -4.417 1.00 0.00 C ATOM 1086 C GLU A 557 2.855 -14.794 -5.552 1.00 0.00 C ATOM 1087 O GLU A 557 3.846 -14.539 -6.234 1.00 0.00 O ATOM 1088 CB GLU A 557 3.375 -14.051 -3.225 1.00 0.00 C ATOM 1089 CG GLU A 557 3.227 -12.868 -2.265 1.00 0.00 C ATOM 1090 CD GLU A 557 3.910 -11.636 -2.846 1.00 0.00 C ATOM 1091 OE1 GLU A 557 5.106 -11.698 -3.076 1.00 0.00 O ATOM 1092 OE2 GLU A 557 3.226 -10.647 -3.054 1.00 0.00 O ATOM 0 H GLU A 557 0.950 -14.382 -3.024 1.00 0.00 H new ATOM 0 HA GLU A 557 2.494 -12.836 -4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 557 3.143 -14.983 -2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 557 4.406 -14.126 -3.570 1.00 0.00 H new ATOM 0 HG2 GLU A 557 2.171 -12.660 -2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 557 3.667 -13.116 -1.299 1.00 0.00 H new ATOM 1099 N LEU A 558 2.105 -15.875 -5.749 1.00 0.00 N ATOM 1100 CA LEU A 558 2.432 -16.827 -6.808 1.00 0.00 C ATOM 1101 C LEU A 558 2.391 -16.149 -8.177 1.00 0.00 C ATOM 1102 O LEU A 558 2.604 -16.791 -9.205 1.00 0.00 O ATOM 1103 CB LEU A 558 1.467 -18.024 -6.767 1.00 0.00 C ATOM 1104 CG LEU A 558 0.166 -17.707 -7.515 1.00 0.00 C ATOM 1105 CD1 LEU A 558 -0.815 -18.869 -7.337 1.00 0.00 C ATOM 1106 CD2 LEU A 558 -0.460 -16.427 -6.953 1.00 0.00 C ATOM 0 H LEU A 558 1.279 -16.112 -5.199 1.00 0.00 H new ATOM 0 HA LEU A 558 3.445 -17.193 -6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 558 1.944 -18.896 -7.214 1.00 0.00 H new ATOM 0 HB3 LEU A 558 1.242 -18.279 -5.731 1.00 0.00 H new ATOM 0 HG LEU A 558 0.385 -17.565 -8.573 1.00 0.00 H new ATOM 0 HD11 LEU A 558 -1.741 -18.648 -7.867 1.00 0.00 H new ATOM 0 HD12 LEU A 558 -0.375 -19.781 -7.740 1.00 0.00 H new ATOM 0 HD13 LEU A 558 -1.028 -19.006 -6.277 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -1.384 -16.208 -7.489 1.00 0.00 H new ATOM 0 HD22 LEU A 558 -0.679 -16.564 -5.894 1.00 0.00 H new ATOM 0 HD23 LEU A 558 0.236 -15.597 -7.076 1.00 0.00 H new ATOM 1118 N LYS A 559 2.118 -14.845 -8.180 1.00 0.00 N ATOM 1119 CA LYS A 559 2.053 -14.079 -9.424 1.00 0.00 C ATOM 1120 C LYS A 559 3.010 -12.890 -9.363 1.00 0.00 C ATOM 1121 O LYS A 559 3.166 -12.261 -8.316 1.00 0.00 O ATOM 1122 CB LYS A 559 0.624 -13.577 -9.655 1.00 0.00 C ATOM 1123 CG LYS A 559 -0.232 -14.705 -10.240 1.00 0.00 C ATOM 1124 CD LYS A 559 -1.714 -14.406 -9.997 1.00 0.00 C ATOM 1125 CE LYS A 559 -2.571 -15.491 -10.657 1.00 0.00 C ATOM 1126 NZ LYS A 559 -3.937 -15.477 -10.061 1.00 0.00 N ATOM 0 H LYS A 559 1.939 -14.298 -7.338 1.00 0.00 H new ATOM 0 HA LYS A 559 2.345 -14.728 -10.249 1.00 0.00 H new ATOM 0 HB2 LYS A 559 0.194 -13.231 -8.715 1.00 0.00 H new ATOM 0 HB3 LYS A 559 0.633 -12.725 -10.334 1.00 0.00 H new ATOM 0 HG2 LYS A 559 -0.041 -14.803 -11.309 1.00 0.00 H new ATOM 0 HG3 LYS A 559 0.038 -15.656 -9.780 1.00 0.00 H new ATOM 0 HD2 LYS A 559 -1.917 -14.368 -8.927 1.00 0.00 H new ATOM 0 HD3 LYS A 559 -1.970 -13.428 -10.405 1.00 0.00 H new ATOM 0 HE2 LYS A 559 -2.630 -15.319 -11.732 1.00 0.00 H new ATOM 0 HE3 LYS A 559 -2.111 -16.469 -10.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 559 -4.519 -16.214 -10.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 559 -3.872 -15.661 -9.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 559 -4.375 -14.547 -10.218 1.00 0.00 H new ATOM 1140 N THR A 560 3.649 -12.591 -10.492 1.00 0.00 N ATOM 1141 CA THR A 560 4.592 -11.477 -10.562 1.00 0.00 C ATOM 1142 C THR A 560 4.161 -10.477 -11.630 1.00 0.00 C ATOM 1143 O THR A 560 4.426 -10.670 -12.817 1.00 0.00 O ATOM 1144 CB THR A 560 5.994 -11.999 -10.885 1.00 0.00 C ATOM 1145 OG1 THR A 560 6.771 -10.949 -11.443 1.00 0.00 O ATOM 1146 CG2 THR A 560 5.894 -13.149 -11.888 1.00 0.00 C ATOM 0 H THR A 560 3.532 -13.102 -11.367 1.00 0.00 H new ATOM 0 HA THR A 560 4.605 -10.975 -9.594 1.00 0.00 H new ATOM 0 HB THR A 560 6.468 -12.357 -9.971 1.00 0.00 H new ATOM 0 HG1 THR A 560 7.670 -11.281 -11.649 1.00 0.00 H new ATOM 0 HG21 THR A 560 6.893 -13.520 -12.117 1.00 0.00 H new ATOM 0 HG22 THR A 560 5.297 -13.954 -11.460 1.00 0.00 H new ATOM 0 HG23 THR A 560 5.420 -12.794 -12.803 1.00 0.00 H new ATOM 1154 N ASP A 561 3.498 -9.409 -11.201 1.00 0.00 N ATOM 1155 CA ASP A 561 3.036 -8.385 -12.130 1.00 0.00 C ATOM 1156 C ASP A 561 2.439 -7.203 -11.373 1.00 0.00 C ATOM 1157 O ASP A 561 2.679 -6.046 -11.718 1.00 0.00 O ATOM 1158 CB ASP A 561 1.986 -8.971 -13.075 1.00 0.00 C ATOM 1159 CG ASP A 561 0.941 -9.746 -12.280 1.00 0.00 C ATOM 1160 OD1 ASP A 561 1.059 -9.787 -11.066 1.00 0.00 O ATOM 1161 OD2 ASP A 561 0.038 -10.287 -12.896 1.00 0.00 O ATOM 0 H ASP A 561 3.270 -9.230 -10.223 1.00 0.00 H new ATOM 0 HA ASP A 561 3.891 -8.036 -12.709 1.00 0.00 H new ATOM 0 HB2 ASP A 561 1.506 -8.171 -13.639 1.00 0.00 H new ATOM 0 HB3 ASP A 561 2.465 -9.629 -13.800 1.00 0.00 H new ATOM 1166 N TRP A 562 1.659 -7.502 -10.338 1.00 0.00 N ATOM 1167 CA TRP A 562 1.034 -6.454 -9.540 1.00 0.00 C ATOM 1168 C TRP A 562 2.088 -5.670 -8.763 1.00 0.00 C ATOM 1169 O TRP A 562 1.951 -4.464 -8.555 1.00 0.00 O ATOM 1170 CB TRP A 562 0.019 -7.070 -8.570 1.00 0.00 C ATOM 1171 CG TRP A 562 0.729 -7.639 -7.381 1.00 0.00 C ATOM 1172 CD1 TRP A 562 1.522 -8.735 -7.400 1.00 0.00 C ATOM 1173 CD2 TRP A 562 0.726 -7.159 -6.005 1.00 0.00 C ATOM 1174 NE1 TRP A 562 2.005 -8.959 -6.123 1.00 0.00 N ATOM 1175 CE2 TRP A 562 1.544 -8.014 -5.228 1.00 0.00 C ATOM 1176 CE3 TRP A 562 0.101 -6.076 -5.363 1.00 0.00 C ATOM 1177 CZ2 TRP A 562 1.733 -7.801 -3.862 1.00 0.00 C ATOM 1178 CZ3 TRP A 562 0.289 -5.859 -3.988 1.00 0.00 C ATOM 1179 CH2 TRP A 562 1.104 -6.720 -3.240 1.00 0.00 C ATOM 0 H TRP A 562 1.446 -8.452 -10.035 1.00 0.00 H new ATOM 0 HA TRP A 562 0.517 -5.768 -10.212 1.00 0.00 H new ATOM 0 HB2 TRP A 562 -0.696 -6.312 -8.249 1.00 0.00 H new ATOM 0 HB3 TRP A 562 -0.549 -7.852 -9.073 1.00 0.00 H new ATOM 0 HD1 TRP A 562 1.742 -9.337 -8.270 1.00 0.00 H new ATOM 0 HE1 TRP A 562 2.626 -9.729 -5.873 1.00 0.00 H new ATOM 0 HE3 TRP A 562 -0.528 -5.406 -5.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 562 2.361 -8.467 -3.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 562 -0.197 -5.024 -3.505 1.00 0.00 H new ATOM 0 HH2 TRP A 562 1.246 -6.548 -2.183 1.00 0.00 H new ATOM 1190 N VAL A 563 3.137 -6.365 -8.337 1.00 0.00 N ATOM 1191 CA VAL A 563 4.211 -5.727 -7.584 1.00 0.00 C ATOM 1192 C VAL A 563 4.629 -4.422 -8.253 1.00 0.00 C ATOM 1193 O VAL A 563 5.037 -3.472 -7.584 1.00 0.00 O ATOM 1194 CB VAL A 563 5.415 -6.666 -7.494 1.00 0.00 C ATOM 1195 CG1 VAL A 563 6.393 -6.145 -6.442 1.00 0.00 C ATOM 1196 CG2 VAL A 563 4.937 -8.065 -7.097 1.00 0.00 C ATOM 0 H VAL A 563 3.267 -7.364 -8.499 1.00 0.00 H new ATOM 0 HA VAL A 563 3.847 -5.508 -6.580 1.00 0.00 H new ATOM 0 HB VAL A 563 5.915 -6.711 -8.462 1.00 0.00 H new ATOM 0 HG11 VAL A 563 7.250 -6.815 -6.379 1.00 0.00 H new ATOM 0 HG12 VAL A 563 6.732 -5.148 -6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 563 5.895 -6.100 -5.473 1.00 0.00 H new ATOM 0 HG21 VAL A 563 5.793 -8.737 -7.032 1.00 0.00 H new ATOM 0 HG22 VAL A 563 4.438 -8.018 -6.129 1.00 0.00 H new ATOM 0 HG23 VAL A 563 4.239 -8.438 -7.847 1.00 0.00 H new ATOM 1206 N ARG A 564 4.524 -4.382 -9.577 1.00 0.00 N ATOM 1207 CA ARG A 564 4.895 -3.188 -10.327 1.00 0.00 C ATOM 1208 C ARG A 564 4.179 -1.962 -9.768 1.00 0.00 C ATOM 1209 O ARG A 564 4.816 -0.978 -9.391 1.00 0.00 O ATOM 1210 CB ARG A 564 4.534 -3.364 -11.806 1.00 0.00 C ATOM 1211 CG ARG A 564 5.342 -2.377 -12.662 1.00 0.00 C ATOM 1212 CD ARG A 564 6.639 -3.040 -13.135 1.00 0.00 C ATOM 1213 NE ARG A 564 7.181 -3.900 -12.085 1.00 0.00 N ATOM 1214 CZ ARG A 564 7.207 -5.223 -12.219 1.00 0.00 C ATOM 1215 NH1 ARG A 564 7.492 -5.757 -13.375 1.00 0.00 N ATOM 1216 NH2 ARG A 564 6.945 -5.987 -11.195 1.00 0.00 N ATOM 0 H ARG A 564 4.188 -5.156 -10.149 1.00 0.00 H new ATOM 0 HA ARG A 564 5.971 -3.042 -10.232 1.00 0.00 H new ATOM 0 HB2 ARG A 564 4.742 -4.387 -12.121 1.00 0.00 H new ATOM 0 HB3 ARG A 564 3.467 -3.196 -11.951 1.00 0.00 H new ATOM 0 HG2 ARG A 564 4.751 -2.059 -13.521 1.00 0.00 H new ATOM 0 HG3 ARG A 564 5.571 -1.482 -12.083 1.00 0.00 H new ATOM 0 HD2 ARG A 564 6.449 -3.627 -14.033 1.00 0.00 H new ATOM 0 HD3 ARG A 564 7.369 -2.276 -13.402 1.00 0.00 H new ATOM 0 HE ARG A 564 7.547 -3.477 -11.232 1.00 0.00 H new ATOM 0 HH11 ARG A 564 7.695 -5.160 -14.177 1.00 0.00 H new ATOM 0 HH12 ARG A 564 7.512 -6.772 -13.477 1.00 0.00 H new ATOM 0 HH21 ARG A 564 6.720 -5.570 -10.292 1.00 0.00 H new ATOM 0 HH22 ARG A 564 6.965 -7.002 -11.297 1.00 0.00 H new ATOM 1230 N PHE A 565 2.853 -2.029 -9.717 1.00 0.00 N ATOM 1231 CA PHE A 565 2.061 -0.917 -9.202 1.00 0.00 C ATOM 1232 C PHE A 565 2.411 -0.643 -7.743 1.00 0.00 C ATOM 1233 O PHE A 565 2.453 0.508 -7.310 1.00 0.00 O ATOM 1234 CB PHE A 565 0.571 -1.239 -9.319 1.00 0.00 C ATOM 1235 CG PHE A 565 0.184 -1.314 -10.777 1.00 0.00 C ATOM 1236 CD1 PHE A 565 0.108 -0.143 -11.540 1.00 0.00 C ATOM 1237 CD2 PHE A 565 -0.101 -2.553 -11.364 1.00 0.00 C ATOM 1238 CE1 PHE A 565 -0.251 -0.211 -12.891 1.00 0.00 C ATOM 1239 CE2 PHE A 565 -0.461 -2.620 -12.715 1.00 0.00 C ATOM 1240 CZ PHE A 565 -0.536 -1.448 -13.479 1.00 0.00 C ATOM 0 H PHE A 565 2.307 -2.834 -10.023 1.00 0.00 H new ATOM 0 HA PHE A 565 2.288 -0.029 -9.792 1.00 0.00 H new ATOM 0 HB2 PHE A 565 0.353 -2.186 -8.825 1.00 0.00 H new ATOM 0 HB3 PHE A 565 -0.018 -0.473 -8.814 1.00 0.00 H new ATOM 0 HD1 PHE A 565 0.326 0.813 -11.086 1.00 0.00 H new ATOM 0 HD2 PHE A 565 -0.043 -3.456 -10.775 1.00 0.00 H new ATOM 0 HE1 PHE A 565 -0.308 0.692 -13.480 1.00 0.00 H new ATOM 0 HE2 PHE A 565 -0.681 -3.575 -13.168 1.00 0.00 H new ATOM 0 HZ PHE A 565 -0.814 -1.499 -14.521 1.00 0.00 H new ATOM 1250 N LEU A 566 2.658 -1.710 -6.991 1.00 0.00 N ATOM 1251 CA LEU A 566 3.000 -1.576 -5.580 1.00 0.00 C ATOM 1252 C LEU A 566 4.261 -0.733 -5.413 1.00 0.00 C ATOM 1253 O LEU A 566 4.321 0.145 -4.551 1.00 0.00 O ATOM 1254 CB LEU A 566 3.220 -2.960 -4.965 1.00 0.00 C ATOM 1255 CG LEU A 566 3.359 -2.838 -3.443 1.00 0.00 C ATOM 1256 CD1 LEU A 566 2.026 -2.395 -2.825 1.00 0.00 C ATOM 1257 CD2 LEU A 566 3.764 -4.197 -2.865 1.00 0.00 C ATOM 0 H LEU A 566 2.628 -2.671 -7.332 1.00 0.00 H new ATOM 0 HA LEU A 566 2.176 -1.079 -5.069 1.00 0.00 H new ATOM 0 HB2 LEU A 566 2.384 -3.614 -5.211 1.00 0.00 H new ATOM 0 HB3 LEU A 566 4.116 -3.416 -5.385 1.00 0.00 H new ATOM 0 HG LEU A 566 4.121 -2.094 -3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 566 2.136 -2.312 -1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 566 1.738 -1.427 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 566 1.256 -3.131 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 566 3.864 -4.117 -1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 566 3.000 -4.937 -3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 566 4.716 -4.506 -3.296 1.00 0.00 H new ATOM 1269 N ALA A 567 5.265 -1.005 -6.239 1.00 0.00 N ATOM 1270 CA ALA A 567 6.519 -0.265 -6.170 1.00 0.00 C ATOM 1271 C ALA A 567 6.288 1.215 -6.465 1.00 0.00 C ATOM 1272 O ALA A 567 6.643 2.079 -5.664 1.00 0.00 O ATOM 1273 CB ALA A 567 7.520 -0.838 -7.175 1.00 0.00 C ATOM 0 H ALA A 567 5.236 -1.727 -6.959 1.00 0.00 H new ATOM 0 HA ALA A 567 6.920 -0.363 -5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 567 8.454 -0.279 -7.117 1.00 0.00 H new ATOM 0 HB2 ALA A 567 7.709 -1.886 -6.943 1.00 0.00 H new ATOM 0 HB3 ALA A 567 7.111 -0.757 -8.182 1.00 0.00 H new ATOM 1279 N LEU A 568 5.690 1.498 -7.617 1.00 0.00 N ATOM 1280 CA LEU A 568 5.416 2.878 -8.003 1.00 0.00 C ATOM 1281 C LEU A 568 4.732 3.620 -6.858 1.00 0.00 C ATOM 1282 O LEU A 568 5.082 4.760 -6.547 1.00 0.00 O ATOM 1283 CB LEU A 568 4.520 2.906 -9.249 1.00 0.00 C ATOM 1284 CG LEU A 568 5.382 2.991 -10.512 1.00 0.00 C ATOM 1285 CD1 LEU A 568 6.278 1.754 -10.606 1.00 0.00 C ATOM 1286 CD2 LEU A 568 4.475 3.056 -11.743 1.00 0.00 C ATOM 0 H LEU A 568 5.388 0.798 -8.294 1.00 0.00 H new ATOM 0 HA LEU A 568 6.361 3.372 -8.230 1.00 0.00 H new ATOM 0 HB2 LEU A 568 3.900 2.010 -9.281 1.00 0.00 H new ATOM 0 HB3 LEU A 568 3.844 3.760 -9.202 1.00 0.00 H new ATOM 0 HG LEU A 568 6.003 3.886 -10.467 1.00 0.00 H new ATOM 0 HD11 LEU A 568 6.891 1.816 -11.505 1.00 0.00 H new ATOM 0 HD12 LEU A 568 6.924 1.705 -9.729 1.00 0.00 H new ATOM 0 HD13 LEU A 568 5.658 0.858 -10.650 1.00 0.00 H new ATOM 0 HD21 LEU A 568 5.087 3.117 -12.643 1.00 0.00 H new ATOM 0 HD22 LEU A 568 3.855 2.161 -11.786 1.00 0.00 H new ATOM 0 HD23 LEU A 568 3.837 3.937 -11.678 1.00 0.00 H new ATOM 1298 N ALA A 569 3.758 2.967 -6.233 1.00 0.00 N ATOM 1299 CA ALA A 569 3.035 3.575 -5.123 1.00 0.00 C ATOM 1300 C ALA A 569 3.995 3.931 -3.993 1.00 0.00 C ATOM 1301 O ALA A 569 4.044 5.077 -3.545 1.00 0.00 O ATOM 1302 CB ALA A 569 1.966 2.610 -4.605 1.00 0.00 C ATOM 0 H ALA A 569 3.453 2.024 -6.474 1.00 0.00 H new ATOM 0 HA ALA A 569 2.556 4.487 -5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 569 1.430 3.072 -3.776 1.00 0.00 H new ATOM 0 HB2 ALA A 569 1.265 2.380 -5.407 1.00 0.00 H new ATOM 0 HB3 ALA A 569 2.441 1.690 -4.263 1.00 0.00 H new ATOM 1308 N LEU A 570 4.758 2.943 -3.539 1.00 0.00 N ATOM 1309 CA LEU A 570 5.717 3.164 -2.462 1.00 0.00 C ATOM 1310 C LEU A 570 6.817 4.118 -2.916 1.00 0.00 C ATOM 1311 O LEU A 570 7.548 4.675 -2.096 1.00 0.00 O ATOM 1312 CB LEU A 570 6.335 1.828 -2.031 1.00 0.00 C ATOM 1313 CG LEU A 570 5.422 1.140 -1.008 1.00 0.00 C ATOM 1314 CD1 LEU A 570 5.866 -0.317 -0.830 1.00 0.00 C ATOM 1315 CD2 LEU A 570 5.498 1.875 0.342 1.00 0.00 C ATOM 0 H LEU A 570 4.732 1.988 -3.896 1.00 0.00 H new ATOM 0 HA LEU A 570 5.194 3.609 -1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 570 6.474 1.184 -2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 570 7.321 1.996 -1.598 1.00 0.00 H new ATOM 0 HG LEU A 570 4.393 1.166 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 570 5.219 -0.808 -0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 570 5.799 -0.837 -1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 570 6.896 -0.343 -0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 570 4.847 1.380 1.063 1.00 0.00 H new ATOM 0 HD22 LEU A 570 6.524 1.858 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 570 5.177 2.908 0.212 1.00 0.00 H new ATOM 1327 N GLY A 571 6.928 4.302 -4.228 1.00 0.00 N ATOM 1328 CA GLY A 571 7.943 5.193 -4.780 1.00 0.00 C ATOM 1329 C GLY A 571 7.482 6.645 -4.723 1.00 0.00 C ATOM 1330 O GLY A 571 8.246 7.536 -4.351 1.00 0.00 O ATOM 0 H GLY A 571 6.334 3.851 -4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 571 8.873 5.081 -4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 571 8.154 4.915 -5.812 1.00 0.00 H new ATOM 1334 N ILE A 572 6.227 6.876 -5.094 1.00 0.00 N ATOM 1335 CA ILE A 572 5.671 8.225 -5.081 1.00 0.00 C ATOM 1336 C ILE A 572 5.211 8.603 -3.677 1.00 0.00 C ATOM 1337 O ILE A 572 5.240 9.773 -3.299 1.00 0.00 O ATOM 1338 CB ILE A 572 4.488 8.308 -6.046 1.00 0.00 C ATOM 1339 CG1 ILE A 572 4.977 8.045 -7.472 1.00 0.00 C ATOM 1340 CG2 ILE A 572 3.865 9.703 -5.972 1.00 0.00 C ATOM 1341 CD1 ILE A 572 3.774 7.830 -8.392 1.00 0.00 C ATOM 0 H ILE A 572 5.579 6.152 -5.405 1.00 0.00 H new ATOM 0 HA ILE A 572 6.448 8.922 -5.395 1.00 0.00 H new ATOM 0 HB ILE A 572 3.742 7.562 -5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 572 5.572 8.887 -7.825 1.00 0.00 H new ATOM 0 HG13 ILE A 572 5.624 7.168 -7.490 1.00 0.00 H new ATOM 0 HG21 ILE A 572 3.022 9.762 -6.660 1.00 0.00 H new ATOM 0 HG22 ILE A 572 3.518 9.893 -4.956 1.00 0.00 H new ATOM 0 HG23 ILE A 572 4.610 10.449 -6.247 1.00 0.00 H new ATOM 0 HD11 ILE A 572 4.122 7.643 -9.408 1.00 0.00 H new ATOM 0 HD12 ILE A 572 3.197 6.974 -8.042 1.00 0.00 H new ATOM 0 HD13 ILE A 572 3.145 8.720 -8.382 1.00 0.00 H new ATOM 1353 N LEU A 573 4.787 7.605 -2.908 1.00 0.00 N ATOM 1354 CA LEU A 573 4.322 7.846 -1.548 1.00 0.00 C ATOM 1355 C LEU A 573 5.302 8.747 -0.800 1.00 0.00 C ATOM 1356 O LEU A 573 4.897 9.593 -0.003 1.00 0.00 O ATOM 1357 CB LEU A 573 4.173 6.514 -0.805 1.00 0.00 C ATOM 1358 CG LEU A 573 3.555 6.750 0.579 1.00 0.00 C ATOM 1359 CD1 LEU A 573 2.137 7.319 0.432 1.00 0.00 C ATOM 1360 CD2 LEU A 573 3.494 5.421 1.336 1.00 0.00 C ATOM 0 H LEU A 573 4.756 6.629 -3.201 1.00 0.00 H new ATOM 0 HA LEU A 573 3.354 8.344 -1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 573 3.545 5.835 -1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 573 5.147 6.036 -0.700 1.00 0.00 H new ATOM 0 HG LEU A 573 4.169 7.463 1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 573 1.707 7.483 1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 573 2.179 8.265 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 573 1.517 6.613 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 573 3.055 5.583 2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 573 2.882 4.712 0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 573 4.501 5.020 1.449 1.00 0.00 H new ATOM 1372 N TYR A 574 6.593 8.560 -1.066 1.00 0.00 N ATOM 1373 CA TYR A 574 7.626 9.362 -0.415 1.00 0.00 C ATOM 1374 C TYR A 574 8.194 10.393 -1.385 1.00 0.00 C ATOM 1375 O TYR A 574 9.360 10.775 -1.282 1.00 0.00 O ATOM 1376 CB TYR A 574 8.755 8.456 0.083 1.00 0.00 C ATOM 1377 CG TYR A 574 8.167 7.205 0.693 1.00 0.00 C ATOM 1378 CD1 TYR A 574 7.256 7.306 1.752 1.00 0.00 C ATOM 1379 CD2 TYR A 574 8.534 5.946 0.203 1.00 0.00 C ATOM 1380 CE1 TYR A 574 6.711 6.147 2.319 1.00 0.00 C ATOM 1381 CE2 TYR A 574 7.990 4.787 0.771 1.00 0.00 C ATOM 1382 CZ TYR A 574 7.078 4.889 1.829 1.00 0.00 C ATOM 1383 OH TYR A 574 6.541 3.747 2.388 1.00 0.00 O ATOM 0 H TYR A 574 6.947 7.865 -1.723 1.00 0.00 H new ATOM 0 HA TYR A 574 7.176 9.882 0.431 1.00 0.00 H new ATOM 0 HB2 TYR A 574 9.416 8.194 -0.743 1.00 0.00 H new ATOM 0 HB3 TYR A 574 9.360 8.983 0.821 1.00 0.00 H new ATOM 0 HD1 TYR A 574 6.974 8.277 2.131 1.00 0.00 H new ATOM 0 HD2 TYR A 574 9.237 5.868 -0.613 1.00 0.00 H new ATOM 0 HE1 TYR A 574 6.007 6.224 3.135 1.00 0.00 H new ATOM 0 HE2 TYR A 574 8.274 3.816 0.393 1.00 0.00 H new ATOM 0 HH TYR A 574 7.235 3.059 2.457 1.00 0.00 H new ATOM 1393 N MET A 575 7.362 10.834 -2.327 1.00 0.00 N ATOM 1394 CA MET A 575 7.782 11.820 -3.324 1.00 0.00 C ATOM 1395 C MET A 575 9.262 11.664 -3.660 1.00 0.00 C ATOM 1396 O MET A 575 9.956 12.644 -3.928 1.00 0.00 O ATOM 1397 CB MET A 575 7.515 13.240 -2.811 1.00 0.00 C ATOM 1398 CG MET A 575 8.019 13.378 -1.372 1.00 0.00 C ATOM 1399 SD MET A 575 7.885 15.106 -0.852 1.00 0.00 S ATOM 1400 CE MET A 575 6.203 15.014 -0.191 1.00 0.00 C ATOM 0 H MET A 575 6.394 10.525 -2.422 1.00 0.00 H new ATOM 0 HA MET A 575 7.202 11.649 -4.231 1.00 0.00 H new ATOM 0 HB2 MET A 575 8.014 13.967 -3.452 1.00 0.00 H new ATOM 0 HB3 MET A 575 6.448 13.457 -2.854 1.00 0.00 H new ATOM 0 HG2 MET A 575 7.435 12.740 -0.708 1.00 0.00 H new ATOM 0 HG3 MET A 575 9.055 13.045 -1.304 1.00 0.00 H new ATOM 0 HE1 MET A 575 5.909 15.991 0.192 1.00 0.00 H new ATOM 0 HE2 MET A 575 5.517 14.713 -0.983 1.00 0.00 H new ATOM 0 HE3 MET A 575 6.169 14.282 0.616 1.00 0.00 H new ATOM 1410 N GLY A 576 9.738 10.421 -3.644 1.00 0.00 N ATOM 1411 CA GLY A 576 11.137 10.143 -3.949 1.00 0.00 C ATOM 1412 C GLY A 576 12.004 10.271 -2.702 1.00 0.00 C ATOM 1413 O GLY A 576 12.457 9.271 -2.143 1.00 0.00 O ATOM 0 H GLY A 576 9.179 9.596 -3.425 1.00 0.00 H new ATOM 0 HA2 GLY A 576 11.231 9.138 -4.360 1.00 0.00 H new ATOM 0 HA3 GLY A 576 11.490 10.834 -4.714 1.00 0.00 H new ATOM 1417 N GLN A 577 12.236 11.507 -2.272 1.00 0.00 N ATOM 1418 CA GLN A 577 13.054 11.761 -1.089 1.00 0.00 C ATOM 1419 C GLN A 577 12.176 12.075 0.119 1.00 0.00 C ATOM 1420 O GLN A 577 11.037 12.521 -0.028 1.00 0.00 O ATOM 1421 CB GLN A 577 14.000 12.935 -1.357 1.00 0.00 C ATOM 1422 CG GLN A 577 15.061 12.519 -2.384 1.00 0.00 C ATOM 1423 CD GLN A 577 15.512 13.731 -3.192 1.00 0.00 C ATOM 1424 OE1 GLN A 577 15.923 14.742 -2.621 1.00 0.00 O ATOM 1425 NE2 GLN A 577 15.461 13.689 -4.496 1.00 0.00 N ATOM 0 H GLN A 577 11.871 12.346 -2.722 1.00 0.00 H new ATOM 0 HA GLN A 577 13.635 10.865 -0.872 1.00 0.00 H new ATOM 0 HB2 GLN A 577 13.437 13.791 -1.728 1.00 0.00 H new ATOM 0 HB3 GLN A 577 14.480 13.247 -0.429 1.00 0.00 H new ATOM 0 HG2 GLN A 577 15.916 12.073 -1.875 1.00 0.00 H new ATOM 0 HG3 GLN A 577 14.654 11.759 -3.051 1.00 0.00 H new ATOM 0 HE21 GLN A 577 15.120 12.850 -4.966 1.00 0.00 H new ATOM 0 HE22 GLN A 577 15.762 14.495 -5.044 1.00 0.00 H new ATOM 1434 N GLY A 578 12.713 11.839 1.312 1.00 0.00 N ATOM 1435 CA GLY A 578 11.970 12.098 2.541 1.00 0.00 C ATOM 1436 C GLY A 578 12.460 11.200 3.673 1.00 0.00 C ATOM 1437 O GLY A 578 12.523 9.980 3.526 1.00 0.00 O ATOM 0 H GLY A 578 13.654 11.471 1.454 1.00 0.00 H new ATOM 0 HA2 GLY A 578 12.084 13.144 2.826 1.00 0.00 H new ATOM 0 HA3 GLY A 578 10.907 11.928 2.371 1.00 0.00 H new ATOM 1441 N GLU A 579 12.807 11.813 4.801 1.00 0.00 N ATOM 1442 CA GLU A 579 13.292 11.057 5.950 1.00 0.00 C ATOM 1443 C GLU A 579 12.392 9.856 6.217 1.00 0.00 C ATOM 1444 O GLU A 579 12.803 8.891 6.863 1.00 0.00 O ATOM 1445 CB GLU A 579 13.329 11.954 7.190 1.00 0.00 C ATOM 1446 CG GLU A 579 14.340 13.084 6.975 1.00 0.00 C ATOM 1447 CD GLU A 579 13.754 14.141 6.047 1.00 0.00 C ATOM 1448 OE1 GLU A 579 12.969 14.947 6.519 1.00 0.00 O ATOM 1449 OE2 GLU A 579 14.097 14.129 4.876 1.00 0.00 O ATOM 0 H GLU A 579 12.762 12.822 4.943 1.00 0.00 H new ATOM 0 HA GLU A 579 14.299 10.703 5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 579 12.339 12.369 7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 579 13.604 11.368 8.067 1.00 0.00 H new ATOM 0 HG2 GLU A 579 14.603 13.535 7.932 1.00 0.00 H new ATOM 0 HG3 GLU A 579 15.260 12.684 6.548 1.00 0.00 H new ATOM 1456 N GLN A 580 11.163 9.920 5.713 1.00 0.00 N ATOM 1457 CA GLN A 580 10.212 8.831 5.902 1.00 0.00 C ATOM 1458 C GLN A 580 10.799 7.518 5.391 1.00 0.00 C ATOM 1459 O GLN A 580 10.703 6.485 6.053 1.00 0.00 O ATOM 1460 CB GLN A 580 8.910 9.142 5.158 1.00 0.00 C ATOM 1461 CG GLN A 580 7.742 8.414 5.831 1.00 0.00 C ATOM 1462 CD GLN A 580 7.319 9.162 7.091 1.00 0.00 C ATOM 1463 OE1 GLN A 580 6.479 10.059 7.029 1.00 0.00 O ATOM 1464 NE2 GLN A 580 7.853 8.843 8.239 1.00 0.00 N ATOM 0 H GLN A 580 10.805 10.709 5.174 1.00 0.00 H new ATOM 0 HA GLN A 580 10.003 8.730 6.967 1.00 0.00 H new ATOM 0 HB2 GLN A 580 8.729 10.217 5.157 1.00 0.00 H new ATOM 0 HB3 GLN A 580 8.992 8.832 4.116 1.00 0.00 H new ATOM 0 HG2 GLN A 580 6.901 8.342 5.141 1.00 0.00 H new ATOM 0 HG3 GLN A 580 8.035 7.395 6.084 1.00 0.00 H new ATOM 0 HE21 GLN A 580 8.549 8.099 8.289 1.00 0.00 H new ATOM 0 HE22 GLN A 580 7.574 9.338 9.086 1.00 0.00 H new ATOM 1473 N VAL A 581 11.406 7.568 4.210 1.00 0.00 N ATOM 1474 CA VAL A 581 12.005 6.377 3.619 1.00 0.00 C ATOM 1475 C VAL A 581 12.998 5.741 4.588 1.00 0.00 C ATOM 1476 O VAL A 581 12.958 4.536 4.830 1.00 0.00 O ATOM 1477 CB VAL A 581 12.724 6.742 2.319 1.00 0.00 C ATOM 1478 CG1 VAL A 581 13.160 5.463 1.600 1.00 0.00 C ATOM 1479 CG2 VAL A 581 11.774 7.532 1.416 1.00 0.00 C ATOM 0 H VAL A 581 11.496 8.414 3.647 1.00 0.00 H new ATOM 0 HA VAL A 581 11.210 5.662 3.406 1.00 0.00 H new ATOM 0 HB VAL A 581 13.600 7.349 2.547 1.00 0.00 H new ATOM 0 HG11 VAL A 581 13.672 5.723 0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 581 13.835 4.897 2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 581 12.283 4.857 1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 581 12.285 7.793 0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 581 10.898 6.924 1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 581 11.461 8.443 1.926 1.00 0.00 H new ATOM 1489 N ASP A 582 13.888 6.561 5.138 1.00 0.00 N ATOM 1490 CA ASP A 582 14.886 6.066 6.079 1.00 0.00 C ATOM 1491 C ASP A 582 14.225 5.237 7.175 1.00 0.00 C ATOM 1492 O ASP A 582 14.763 4.217 7.606 1.00 0.00 O ATOM 1493 CB ASP A 582 15.640 7.239 6.709 1.00 0.00 C ATOM 1494 CG ASP A 582 16.855 6.727 7.475 1.00 0.00 C ATOM 1495 OD1 ASP A 582 16.703 6.408 8.643 1.00 0.00 O ATOM 1496 OD2 ASP A 582 17.919 6.659 6.882 1.00 0.00 O ATOM 0 H ASP A 582 13.939 7.562 4.951 1.00 0.00 H new ATOM 0 HA ASP A 582 15.588 5.435 5.534 1.00 0.00 H new ATOM 0 HB2 ASP A 582 15.956 7.937 5.934 1.00 0.00 H new ATOM 0 HB3 ASP A 582 14.980 7.787 7.382 1.00 0.00 H new ATOM 1501 N ASP A 583 13.055 5.684 7.621 1.00 0.00 N ATOM 1502 CA ASP A 583 12.327 4.976 8.668 1.00 0.00 C ATOM 1503 C ASP A 583 11.725 3.684 8.124 1.00 0.00 C ATOM 1504 O ASP A 583 11.797 2.636 8.767 1.00 0.00 O ATOM 1505 CB ASP A 583 11.213 5.867 9.220 1.00 0.00 C ATOM 1506 CG ASP A 583 10.674 5.285 10.522 1.00 0.00 C ATOM 1507 OD1 ASP A 583 11.478 4.952 11.377 1.00 0.00 O ATOM 1508 OD2 ASP A 583 9.465 5.182 10.646 1.00 0.00 O ATOM 0 H ASP A 583 12.594 6.526 7.277 1.00 0.00 H new ATOM 0 HA ASP A 583 13.026 4.728 9.467 1.00 0.00 H new ATOM 0 HB2 ASP A 583 11.594 6.874 9.393 1.00 0.00 H new ATOM 0 HB3 ASP A 583 10.408 5.951 8.490 1.00 0.00 H new ATOM 1513 N VAL A 584 11.130 3.766 6.940 1.00 0.00 N ATOM 1514 CA VAL A 584 10.517 2.597 6.321 1.00 0.00 C ATOM 1515 C VAL A 584 11.546 1.485 6.135 1.00 0.00 C ATOM 1516 O VAL A 584 11.405 0.398 6.694 1.00 0.00 O ATOM 1517 CB VAL A 584 9.919 2.976 4.964 1.00 0.00 C ATOM 1518 CG1 VAL A 584 9.369 1.723 4.280 1.00 0.00 C ATOM 1519 CG2 VAL A 584 8.784 3.982 5.170 1.00 0.00 C ATOM 0 H VAL A 584 11.059 4.624 6.392 1.00 0.00 H new ATOM 0 HA VAL A 584 9.725 2.236 6.978 1.00 0.00 H new ATOM 0 HB VAL A 584 10.693 3.422 4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 584 8.943 1.993 3.314 1.00 0.00 H new ATOM 0 HG12 VAL A 584 10.176 1.005 4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 584 8.596 1.277 4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 584 8.358 4.252 4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 584 8.011 3.535 5.796 1.00 0.00 H new ATOM 0 HG23 VAL A 584 9.174 4.876 5.657 1.00 0.00 H new ATOM 1529 N LEU A 585 12.579 1.766 5.347 1.00 0.00 N ATOM 1530 CA LEU A 585 13.623 0.779 5.096 1.00 0.00 C ATOM 1531 C LEU A 585 14.073 0.131 6.401 1.00 0.00 C ATOM 1532 O LEU A 585 14.214 -1.089 6.483 1.00 0.00 O ATOM 1533 CB LEU A 585 14.822 1.446 4.416 1.00 0.00 C ATOM 1534 CG LEU A 585 14.367 2.133 3.125 1.00 0.00 C ATOM 1535 CD1 LEU A 585 15.536 2.923 2.531 1.00 0.00 C ATOM 1536 CD2 LEU A 585 13.897 1.080 2.113 1.00 0.00 C ATOM 0 H LEU A 585 12.715 2.660 4.875 1.00 0.00 H new ATOM 0 HA LEU A 585 13.217 0.008 4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 585 15.274 2.176 5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 585 15.586 0.702 4.193 1.00 0.00 H new ATOM 0 HG LEU A 585 13.542 2.810 3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 585 15.214 3.413 1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 585 15.867 3.676 3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 585 16.360 2.244 2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 585 13.575 1.574 1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 585 14.718 0.399 1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 585 13.064 0.517 2.534 1.00 0.00 H new ATOM 1548 N GLU A 586 14.297 0.954 7.419 1.00 0.00 N ATOM 1549 CA GLU A 586 14.731 0.447 8.716 1.00 0.00 C ATOM 1550 C GLU A 586 13.832 -0.703 9.166 1.00 0.00 C ATOM 1551 O GLU A 586 14.312 -1.717 9.673 1.00 0.00 O ATOM 1552 CB GLU A 586 14.697 1.575 9.757 1.00 0.00 C ATOM 1553 CG GLU A 586 15.895 1.446 10.702 1.00 0.00 C ATOM 1554 CD GLU A 586 17.164 1.918 10.001 1.00 0.00 C ATOM 1555 OE1 GLU A 586 17.411 3.114 10.007 1.00 0.00 O ATOM 1556 OE2 GLU A 586 17.870 1.078 9.468 1.00 0.00 O ATOM 0 H GLU A 586 14.187 1.967 7.373 1.00 0.00 H new ATOM 0 HA GLU A 586 15.752 0.077 8.622 1.00 0.00 H new ATOM 0 HB2 GLU A 586 14.719 2.544 9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 586 13.768 1.530 10.325 1.00 0.00 H new ATOM 0 HG2 GLU A 586 15.725 2.038 11.601 1.00 0.00 H new ATOM 0 HG3 GLU A 586 16.009 0.409 11.019 1.00 0.00 H new ATOM 1563 N THR A 587 12.528 -0.536 8.974 1.00 0.00 N ATOM 1564 CA THR A 587 11.569 -1.565 9.361 1.00 0.00 C ATOM 1565 C THR A 587 11.804 -2.842 8.560 1.00 0.00 C ATOM 1566 O THR A 587 11.875 -3.935 9.122 1.00 0.00 O ATOM 1567 CB THR A 587 10.143 -1.062 9.126 1.00 0.00 C ATOM 1568 OG1 THR A 587 9.957 0.166 9.815 1.00 0.00 O ATOM 1569 CG2 THR A 587 9.141 -2.095 9.642 1.00 0.00 C ATOM 0 H THR A 587 12.112 0.296 8.556 1.00 0.00 H new ATOM 0 HA THR A 587 11.704 -1.786 10.420 1.00 0.00 H new ATOM 0 HB THR A 587 9.984 -0.909 8.059 1.00 0.00 H new ATOM 0 HG1 THR A 587 9.045 0.491 9.664 1.00 0.00 H new ATOM 0 HG21 THR A 587 8.127 -1.734 9.473 1.00 0.00 H new ATOM 0 HG22 THR A 587 9.284 -3.037 9.112 1.00 0.00 H new ATOM 0 HG23 THR A 587 9.297 -2.252 10.709 1.00 0.00 H new ATOM 1577 N ILE A 588 11.927 -2.694 7.245 1.00 0.00 N ATOM 1578 CA ILE A 588 12.157 -3.843 6.378 1.00 0.00 C ATOM 1579 C ILE A 588 13.424 -4.578 6.799 1.00 0.00 C ATOM 1580 O ILE A 588 13.453 -5.808 6.848 1.00 0.00 O ATOM 1581 CB ILE A 588 12.286 -3.383 4.923 1.00 0.00 C ATOM 1582 CG1 ILE A 588 11.117 -2.456 4.577 1.00 0.00 C ATOM 1583 CG2 ILE A 588 12.261 -4.599 3.995 1.00 0.00 C ATOM 1584 CD1 ILE A 588 11.267 -1.963 3.137 1.00 0.00 C ATOM 0 H ILE A 588 11.872 -1.798 6.760 1.00 0.00 H new ATOM 0 HA ILE A 588 11.309 -4.522 6.467 1.00 0.00 H new ATOM 0 HB ILE A 588 13.228 -2.849 4.795 1.00 0.00 H new ATOM 0 HG12 ILE A 588 10.172 -2.986 4.695 1.00 0.00 H new ATOM 0 HG13 ILE A 588 11.095 -1.609 5.262 1.00 0.00 H new ATOM 0 HG21 ILE A 588 12.353 -4.269 2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 588 13.092 -5.261 4.240 1.00 0.00 H new ATOM 0 HG23 ILE A 588 11.320 -5.135 4.123 1.00 0.00 H new ATOM 0 HD11 ILE A 588 10.435 -1.303 2.890 1.00 0.00 H new ATOM 0 HD12 ILE A 588 12.205 -1.418 3.035 1.00 0.00 H new ATOM 0 HD13 ILE A 588 11.267 -2.816 2.459 1.00 0.00 H new ATOM 1596 N SER A 589 14.470 -3.816 7.104 1.00 0.00 N ATOM 1597 CA SER A 589 15.736 -4.405 7.524 1.00 0.00 C ATOM 1598 C SER A 589 15.588 -5.066 8.890 1.00 0.00 C ATOM 1599 O SER A 589 16.237 -6.072 9.178 1.00 0.00 O ATOM 1600 CB SER A 589 16.817 -3.326 7.592 1.00 0.00 C ATOM 1601 OG SER A 589 16.703 -2.623 8.823 1.00 0.00 O ATOM 0 H SER A 589 14.466 -2.797 7.069 1.00 0.00 H new ATOM 0 HA SER A 589 16.025 -5.161 6.794 1.00 0.00 H new ATOM 0 HB2 SER A 589 17.805 -3.779 7.509 1.00 0.00 H new ATOM 0 HB3 SER A 589 16.711 -2.636 6.755 1.00 0.00 H new ATOM 0 HG SER A 589 15.797 -2.260 8.910 1.00 0.00 H new ATOM 1607 N ALA A 590 14.729 -4.494 9.728 1.00 0.00 N ATOM 1608 CA ALA A 590 14.501 -5.036 11.062 1.00 0.00 C ATOM 1609 C ALA A 590 14.139 -6.515 10.981 1.00 0.00 C ATOM 1610 O ALA A 590 14.816 -7.364 11.561 1.00 0.00 O ATOM 1611 CB ALA A 590 13.372 -4.271 11.752 1.00 0.00 C ATOM 0 H ALA A 590 14.183 -3.661 9.509 1.00 0.00 H new ATOM 0 HA ALA A 590 15.418 -4.927 11.640 1.00 0.00 H new ATOM 0 HB1 ALA A 590 13.209 -4.683 12.748 1.00 0.00 H new ATOM 0 HB2 ALA A 590 13.643 -3.219 11.835 1.00 0.00 H new ATOM 0 HB3 ALA A 590 12.458 -4.365 11.166 1.00 0.00 H new ATOM 1617 N ILE A 591 13.065 -6.816 10.255 1.00 0.00 N ATOM 1618 CA ILE A 591 12.620 -8.197 10.104 1.00 0.00 C ATOM 1619 C ILE A 591 13.381 -8.883 8.974 1.00 0.00 C ATOM 1620 O ILE A 591 13.858 -8.228 8.047 1.00 0.00 O ATOM 1621 CB ILE A 591 11.121 -8.232 9.808 1.00 0.00 C ATOM 1622 CG1 ILE A 591 10.357 -7.610 10.979 1.00 0.00 C ATOM 1623 CG2 ILE A 591 10.670 -9.681 9.618 1.00 0.00 C ATOM 1624 CD1 ILE A 591 8.902 -7.374 10.571 1.00 0.00 C ATOM 0 H ILE A 591 12.492 -6.128 9.766 1.00 0.00 H new ATOM 0 HA ILE A 591 12.818 -8.728 11.035 1.00 0.00 H new ATOM 0 HB ILE A 591 10.918 -7.667 8.898 1.00 0.00 H new ATOM 0 HG12 ILE A 591 10.400 -8.269 11.846 1.00 0.00 H new ATOM 0 HG13 ILE A 591 10.821 -6.668 11.271 1.00 0.00 H new ATOM 0 HG21 ILE A 591 9.601 -9.705 9.407 1.00 0.00 H new ATOM 0 HG22 ILE A 591 11.214 -10.125 8.785 1.00 0.00 H new ATOM 0 HG23 ILE A 591 10.873 -10.247 10.527 1.00 0.00 H new ATOM 0 HD11 ILE A 591 8.358 -6.931 11.405 1.00 0.00 H new ATOM 0 HD12 ILE A 591 8.869 -6.699 9.716 1.00 0.00 H new ATOM 0 HD13 ILE A 591 8.441 -8.324 10.301 1.00 0.00 H new ATOM 1636 N GLU A 592 13.494 -10.204 9.058 1.00 0.00 N ATOM 1637 CA GLU A 592 14.204 -10.966 8.036 1.00 0.00 C ATOM 1638 C GLU A 592 13.360 -11.090 6.772 1.00 0.00 C ATOM 1639 O GLU A 592 12.326 -11.757 6.765 1.00 0.00 O ATOM 1640 CB GLU A 592 14.544 -12.361 8.567 1.00 0.00 C ATOM 1641 CG GLU A 592 15.418 -12.236 9.820 1.00 0.00 C ATOM 1642 CD GLU A 592 16.236 -13.509 10.020 1.00 0.00 C ATOM 1643 OE1 GLU A 592 15.645 -14.576 10.022 1.00 0.00 O ATOM 1644 OE2 GLU A 592 17.441 -13.396 10.168 1.00 0.00 O ATOM 0 H GLU A 592 13.107 -10.766 9.816 1.00 0.00 H new ATOM 0 HA GLU A 592 15.125 -10.437 7.790 1.00 0.00 H new ATOM 0 HB2 GLU A 592 13.629 -12.904 8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 592 15.067 -12.935 7.802 1.00 0.00 H new ATOM 0 HG2 GLU A 592 16.084 -11.378 9.724 1.00 0.00 H new ATOM 0 HG3 GLU A 592 14.791 -12.057 10.693 1.00 0.00 H new ATOM 1651 N HIS A 593 13.811 -10.442 5.702 1.00 0.00 N ATOM 1652 CA HIS A 593 13.097 -10.481 4.428 1.00 0.00 C ATOM 1653 C HIS A 593 14.082 -10.661 3.273 1.00 0.00 C ATOM 1654 O HIS A 593 14.537 -9.683 2.680 1.00 0.00 O ATOM 1655 CB HIS A 593 12.311 -9.180 4.232 1.00 0.00 C ATOM 1656 CG HIS A 593 11.017 -9.250 4.998 1.00 0.00 C ATOM 1657 ND1 HIS A 593 10.861 -8.657 6.241 1.00 0.00 N ATOM 1658 CD2 HIS A 593 9.810 -9.838 4.709 1.00 0.00 C ATOM 1659 CE1 HIS A 593 9.602 -8.899 6.651 1.00 0.00 C ATOM 1660 NE2 HIS A 593 8.919 -9.616 5.754 1.00 0.00 N ATOM 0 H HIS A 593 14.665 -9.885 5.691 1.00 0.00 H new ATOM 0 HA HIS A 593 12.407 -11.324 4.441 1.00 0.00 H new ATOM 0 HB2 HIS A 593 12.902 -8.331 4.575 1.00 0.00 H new ATOM 0 HB3 HIS A 593 12.110 -9.021 3.173 1.00 0.00 H new ATOM 0 HD2 HIS A 593 9.587 -10.389 3.807 1.00 0.00 H new ATOM 0 HE1 HIS A 593 9.194 -8.556 7.590 1.00 0.00 H new ATOM 0 HE2 HIS A 593 7.952 -9.933 5.821 1.00 0.00 H new ATOM 1668 N PRO A 594 14.415 -11.883 2.943 1.00 0.00 N ATOM 1669 CA PRO A 594 15.363 -12.179 1.834 1.00 0.00 C ATOM 1670 C PRO A 594 14.753 -11.875 0.467 1.00 0.00 C ATOM 1671 O PRO A 594 15.444 -11.902 -0.552 1.00 0.00 O ATOM 1672 CB PRO A 594 15.689 -13.676 1.979 1.00 0.00 C ATOM 1673 CG PRO A 594 14.926 -14.184 3.171 1.00 0.00 C ATOM 1674 CD PRO A 594 13.923 -13.106 3.585 1.00 0.00 C ATOM 0 HA PRO A 594 16.256 -11.556 1.894 1.00 0.00 H new ATOM 0 HB2 PRO A 594 15.404 -14.221 1.079 1.00 0.00 H new ATOM 0 HB3 PRO A 594 16.760 -13.825 2.116 1.00 0.00 H new ATOM 0 HG2 PRO A 594 14.409 -15.111 2.925 1.00 0.00 H new ATOM 0 HG3 PRO A 594 15.607 -14.407 3.993 1.00 0.00 H new ATOM 0 HD2 PRO A 594 12.915 -13.352 3.251 1.00 0.00 H new ATOM 0 HD3 PRO A 594 13.882 -12.997 4.669 1.00 0.00 H new ATOM 1682 N MET A 595 13.456 -11.581 0.454 1.00 0.00 N ATOM 1683 CA MET A 595 12.763 -11.267 -0.792 1.00 0.00 C ATOM 1684 C MET A 595 12.662 -9.756 -0.976 1.00 0.00 C ATOM 1685 O MET A 595 13.224 -9.196 -1.917 1.00 0.00 O ATOM 1686 CB MET A 595 11.360 -11.876 -0.779 1.00 0.00 C ATOM 1687 CG MET A 595 10.764 -11.819 -2.188 1.00 0.00 C ATOM 1688 SD MET A 595 8.967 -12.004 -2.091 1.00 0.00 S ATOM 1689 CE MET A 595 8.554 -10.938 -3.494 1.00 0.00 C ATOM 0 H MET A 595 12.867 -11.554 1.286 1.00 0.00 H new ATOM 0 HA MET A 595 13.332 -11.689 -1.621 1.00 0.00 H new ATOM 0 HB2 MET A 595 11.404 -12.909 -0.433 1.00 0.00 H new ATOM 0 HB3 MET A 595 10.723 -11.333 -0.081 1.00 0.00 H new ATOM 0 HG2 MET A 595 11.018 -10.872 -2.664 1.00 0.00 H new ATOM 0 HG3 MET A 595 11.189 -12.610 -2.806 1.00 0.00 H new ATOM 0 HE1 MET A 595 7.504 -11.070 -3.755 1.00 0.00 H new ATOM 0 HE2 MET A 595 8.733 -9.897 -3.225 1.00 0.00 H new ATOM 0 HE3 MET A 595 9.176 -11.204 -4.349 1.00 0.00 H new ATOM 1699 N THR A 596 11.942 -9.102 -0.070 1.00 0.00 N ATOM 1700 CA THR A 596 11.774 -7.655 -0.141 1.00 0.00 C ATOM 1701 C THR A 596 13.129 -6.965 -0.266 1.00 0.00 C ATOM 1702 O THR A 596 13.221 -5.844 -0.767 1.00 0.00 O ATOM 1703 CB THR A 596 11.053 -7.151 1.112 1.00 0.00 C ATOM 1704 OG1 THR A 596 9.992 -8.039 1.434 1.00 0.00 O ATOM 1705 CG2 THR A 596 10.488 -5.753 0.852 1.00 0.00 C ATOM 0 H THR A 596 11.469 -9.547 0.716 1.00 0.00 H new ATOM 0 HA THR A 596 11.177 -7.419 -1.022 1.00 0.00 H new ATOM 0 HB THR A 596 11.757 -7.107 1.943 1.00 0.00 H new ATOM 0 HG1 THR A 596 9.530 -7.719 2.237 1.00 0.00 H new ATOM 0 HG21 THR A 596 9.975 -5.396 1.745 1.00 0.00 H new ATOM 0 HG22 THR A 596 11.302 -5.072 0.604 1.00 0.00 H new ATOM 0 HG23 THR A 596 9.784 -5.794 0.021 1.00 0.00 H new ATOM 1713 N SER A 597 14.178 -7.642 0.193 1.00 0.00 N ATOM 1714 CA SER A 597 15.524 -7.084 0.127 1.00 0.00 C ATOM 1715 C SER A 597 15.770 -6.442 -1.235 1.00 0.00 C ATOM 1716 O SER A 597 16.638 -5.582 -1.379 1.00 0.00 O ATOM 1717 CB SER A 597 16.559 -8.183 0.368 1.00 0.00 C ATOM 1718 OG SER A 597 17.861 -7.610 0.372 1.00 0.00 O ATOM 0 H SER A 597 14.123 -8.571 0.611 1.00 0.00 H new ATOM 0 HA SER A 597 15.619 -6.321 0.900 1.00 0.00 H new ATOM 0 HB2 SER A 597 16.365 -8.679 1.319 1.00 0.00 H new ATOM 0 HB3 SER A 597 16.486 -8.944 -0.409 1.00 0.00 H new ATOM 0 HG SER A 597 18.527 -8.312 0.528 1.00 0.00 H new ATOM 1724 N ALA A 598 14.997 -6.866 -2.230 1.00 0.00 N ATOM 1725 CA ALA A 598 15.138 -6.322 -3.576 1.00 0.00 C ATOM 1726 C ALA A 598 14.696 -4.864 -3.609 1.00 0.00 C ATOM 1727 O ALA A 598 15.442 -3.989 -4.047 1.00 0.00 O ATOM 1728 CB ALA A 598 14.294 -7.137 -4.559 1.00 0.00 C ATOM 0 H ALA A 598 14.273 -7.578 -2.132 1.00 0.00 H new ATOM 0 HA ALA A 598 16.187 -6.379 -3.866 1.00 0.00 H new ATOM 0 HB1 ALA A 598 14.404 -6.725 -5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 598 14.630 -8.174 -4.554 1.00 0.00 H new ATOM 0 HB3 ALA A 598 13.246 -7.093 -4.262 1.00 0.00 H new ATOM 1734 N ILE A 599 13.479 -4.610 -3.141 1.00 0.00 N ATOM 1735 CA ILE A 599 12.947 -3.252 -3.119 1.00 0.00 C ATOM 1736 C ILE A 599 13.760 -2.376 -2.171 1.00 0.00 C ATOM 1737 O ILE A 599 13.809 -1.156 -2.326 1.00 0.00 O ATOM 1738 CB ILE A 599 11.484 -3.272 -2.670 1.00 0.00 C ATOM 1739 CG1 ILE A 599 10.653 -4.079 -3.671 1.00 0.00 C ATOM 1740 CG2 ILE A 599 10.948 -1.841 -2.604 1.00 0.00 C ATOM 1741 CD1 ILE A 599 9.279 -4.378 -3.069 1.00 0.00 C ATOM 0 H ILE A 599 12.846 -5.321 -2.774 1.00 0.00 H new ATOM 0 HA ILE A 599 13.012 -2.838 -4.125 1.00 0.00 H new ATOM 0 HB ILE A 599 11.416 -3.732 -1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 599 10.541 -3.521 -4.600 1.00 0.00 H new ATOM 0 HG13 ILE A 599 11.164 -5.010 -3.918 1.00 0.00 H new ATOM 0 HG21 ILE A 599 9.906 -1.857 -2.284 1.00 0.00 H new ATOM 0 HG22 ILE A 599 11.537 -1.264 -1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 599 11.018 -1.380 -3.589 1.00 0.00 H new ATOM 0 HD11 ILE A 599 8.687 -4.953 -3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 599 9.401 -4.953 -2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 599 8.768 -3.441 -2.845 1.00 0.00 H new ATOM 1753 N GLU A 600 14.395 -3.008 -1.190 1.00 0.00 N ATOM 1754 CA GLU A 600 15.205 -2.277 -0.221 1.00 0.00 C ATOM 1755 C GLU A 600 16.383 -1.598 -0.909 1.00 0.00 C ATOM 1756 O GLU A 600 16.595 -0.395 -0.757 1.00 0.00 O ATOM 1757 CB GLU A 600 15.722 -3.235 0.854 1.00 0.00 C ATOM 1758 CG GLU A 600 16.609 -2.468 1.837 1.00 0.00 C ATOM 1759 CD GLU A 600 16.850 -3.310 3.086 1.00 0.00 C ATOM 1760 OE1 GLU A 600 17.407 -4.387 2.951 1.00 0.00 O ATOM 1761 OE2 GLU A 600 16.474 -2.866 4.158 1.00 0.00 O ATOM 0 H GLU A 600 14.366 -4.017 -1.045 1.00 0.00 H new ATOM 0 HA GLU A 600 14.581 -1.512 0.242 1.00 0.00 H new ATOM 0 HB2 GLU A 600 14.885 -3.691 1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 600 16.287 -4.045 0.393 1.00 0.00 H new ATOM 0 HG2 GLU A 600 17.560 -2.221 1.365 1.00 0.00 H new ATOM 0 HG3 GLU A 600 16.134 -1.525 2.109 1.00 0.00 H new ATOM 1768 N VAL A 601 17.148 -2.377 -1.667 1.00 0.00 N ATOM 1769 CA VAL A 601 18.304 -1.841 -2.376 1.00 0.00 C ATOM 1770 C VAL A 601 17.871 -0.798 -3.399 1.00 0.00 C ATOM 1771 O VAL A 601 18.588 0.170 -3.654 1.00 0.00 O ATOM 1772 CB VAL A 601 19.051 -2.974 -3.084 1.00 0.00 C ATOM 1773 CG1 VAL A 601 20.221 -2.395 -3.883 1.00 0.00 C ATOM 1774 CG2 VAL A 601 19.584 -3.960 -2.043 1.00 0.00 C ATOM 0 H VAL A 601 16.990 -3.375 -1.806 1.00 0.00 H new ATOM 0 HA VAL A 601 18.964 -1.366 -1.650 1.00 0.00 H new ATOM 0 HB VAL A 601 18.370 -3.490 -3.761 1.00 0.00 H new ATOM 0 HG11 VAL A 601 20.752 -3.202 -4.387 1.00 0.00 H new ATOM 0 HG12 VAL A 601 19.842 -1.692 -4.625 1.00 0.00 H new ATOM 0 HG13 VAL A 601 20.903 -1.878 -3.207 1.00 0.00 H new ATOM 0 HG21 VAL A 601 20.116 -4.768 -2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 601 20.265 -3.443 -1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 601 18.751 -4.373 -1.474 1.00 0.00 H new ATOM 1784 N LEU A 602 16.696 -1.002 -3.985 1.00 0.00 N ATOM 1785 CA LEU A 602 16.178 -0.071 -4.982 1.00 0.00 C ATOM 1786 C LEU A 602 15.761 1.240 -4.319 1.00 0.00 C ATOM 1787 O LEU A 602 16.388 2.279 -4.531 1.00 0.00 O ATOM 1788 CB LEU A 602 14.975 -0.700 -5.706 1.00 0.00 C ATOM 1789 CG LEU A 602 15.171 -0.619 -7.226 1.00 0.00 C ATOM 1790 CD1 LEU A 602 16.178 -1.679 -7.680 1.00 0.00 C ATOM 1791 CD2 LEU A 602 13.831 -0.867 -7.924 1.00 0.00 C ATOM 0 H LEU A 602 16.088 -1.797 -3.789 1.00 0.00 H new ATOM 0 HA LEU A 602 16.963 0.140 -5.708 1.00 0.00 H new ATOM 0 HB2 LEU A 602 14.861 -1.740 -5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 602 14.059 -0.182 -5.422 1.00 0.00 H new ATOM 0 HG LEU A 602 15.547 0.370 -7.486 1.00 0.00 H new ATOM 0 HD11 LEU A 602 16.312 -1.615 -8.760 1.00 0.00 H new ATOM 0 HD12 LEU A 602 17.134 -1.508 -7.185 1.00 0.00 H new ATOM 0 HD13 LEU A 602 15.806 -2.670 -7.418 1.00 0.00 H new ATOM 0 HD21 LEU A 602 13.967 -0.810 -9.004 1.00 0.00 H new ATOM 0 HD22 LEU A 602 13.459 -1.856 -7.657 1.00 0.00 H new ATOM 0 HD23 LEU A 602 13.111 -0.112 -7.609 1.00 0.00 H new ATOM 1803 N VAL A 603 14.702 1.185 -3.520 1.00 0.00 N ATOM 1804 CA VAL A 603 14.213 2.375 -2.833 1.00 0.00 C ATOM 1805 C VAL A 603 15.323 3.002 -1.996 1.00 0.00 C ATOM 1806 O VAL A 603 15.264 4.184 -1.654 1.00 0.00 O ATOM 1807 CB VAL A 603 13.032 2.011 -1.931 1.00 0.00 C ATOM 1808 CG1 VAL A 603 12.603 3.242 -1.130 1.00 0.00 C ATOM 1809 CG2 VAL A 603 11.863 1.531 -2.793 1.00 0.00 C ATOM 0 H VAL A 603 14.169 0.336 -3.332 1.00 0.00 H new ATOM 0 HA VAL A 603 13.886 3.096 -3.582 1.00 0.00 H new ATOM 0 HB VAL A 603 13.329 1.217 -1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 603 11.762 2.983 -0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 603 13.436 3.585 -0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 603 12.305 4.036 -1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 603 11.021 1.271 -2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 603 11.566 2.325 -3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 603 12.168 0.654 -3.364 1.00 0.00 H new ATOM 1819 N GLY A 604 16.334 2.203 -1.671 1.00 0.00 N ATOM 1820 CA GLY A 604 17.453 2.691 -0.873 1.00 0.00 C ATOM 1821 C GLY A 604 18.415 3.508 -1.729 1.00 0.00 C ATOM 1822 O GLY A 604 18.698 4.668 -1.427 1.00 0.00 O ATOM 0 H GLY A 604 16.402 1.223 -1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 604 17.080 3.304 -0.052 1.00 0.00 H new ATOM 0 HA3 GLY A 604 17.982 1.849 -0.427 1.00 0.00 H new ATOM 1826 N SER A 605 18.913 2.896 -2.797 1.00 0.00 N ATOM 1827 CA SER A 605 19.842 3.577 -3.691 1.00 0.00 C ATOM 1828 C SER A 605 19.278 4.926 -4.121 1.00 0.00 C ATOM 1829 O SER A 605 20.017 5.897 -4.280 1.00 0.00 O ATOM 1830 CB SER A 605 20.105 2.715 -4.927 1.00 0.00 C ATOM 1831 OG SER A 605 20.531 1.422 -4.514 1.00 0.00 O ATOM 0 H SER A 605 18.691 1.937 -3.064 1.00 0.00 H new ATOM 0 HA SER A 605 20.778 3.740 -3.157 1.00 0.00 H new ATOM 0 HB2 SER A 605 19.200 2.637 -5.530 1.00 0.00 H new ATOM 0 HB3 SER A 605 20.867 3.179 -5.553 1.00 0.00 H new ATOM 0 HG SER A 605 19.786 0.790 -4.597 1.00 0.00 H new ATOM 1837 N CYS A 606 17.963 4.978 -4.306 1.00 0.00 N ATOM 1838 CA CYS A 606 17.305 6.215 -4.717 1.00 0.00 C ATOM 1839 C CYS A 606 16.964 7.070 -3.501 1.00 0.00 C ATOM 1840 O CYS A 606 15.896 6.923 -2.907 1.00 0.00 O ATOM 1841 CB CYS A 606 16.026 5.892 -5.490 1.00 0.00 C ATOM 1842 SG CYS A 606 16.363 4.583 -6.694 1.00 0.00 S ATOM 0 H CYS A 606 17.335 4.184 -4.179 1.00 0.00 H new ATOM 0 HA CYS A 606 17.987 6.772 -5.359 1.00 0.00 H new ATOM 0 HB2 CYS A 606 15.243 5.575 -4.802 1.00 0.00 H new ATOM 0 HB3 CYS A 606 15.661 6.784 -5.999 1.00 0.00 H new ATOM 0 HG CYS A 606 16.439 3.439 -6.081 1.00 0.00 H new ATOM 1848 N ALA A 607 17.878 7.963 -3.135 1.00 0.00 N ATOM 1849 CA ALA A 607 17.662 8.836 -1.987 1.00 0.00 C ATOM 1850 C ALA A 607 18.611 10.029 -2.033 1.00 0.00 C ATOM 1851 O ALA A 607 19.316 10.238 -3.020 1.00 0.00 O ATOM 1852 CB ALA A 607 17.881 8.056 -0.690 1.00 0.00 C ATOM 0 H ALA A 607 18.769 8.101 -3.613 1.00 0.00 H new ATOM 0 HA ALA A 607 16.636 9.203 -2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 607 17.718 8.715 0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 607 17.180 7.223 -0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 607 18.901 7.674 -0.663 1.00 0.00 H new