USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=21 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 543 THR OG1 : rot 180:sc= -0.742 USER MOD Set 1.2: A 574 TYR OH : rot 180:sc= 0 USER MOD Single : A 500 SER OG : rot -168:sc= -1.07! USER MOD Single : A 501 LYS NZ :NH3+ -136:sc= 0.14 (180deg=-0.82) USER MOD Single : A 502 ASN : amide:sc= -4.73! K(o=-4.7!,f=-0.66) USER MOD Single : A 515 SER OG : rot 82:sc= 1.17 USER MOD Single : A 516 THR OG1 : rot 65:sc= 1.17 USER MOD Single : A 522 THR OG1 : rot 180:sc= 0.00266 USER MOD Single : A 525 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 527 SER OG : rot 78:sc= 0.908 USER MOD Single : A 532 HIS : no HD1:sc= -0.14 K(o=-0.14,f=-0.93) USER MOD Single : A 537 THR OG1 : rot 88:sc= 1.33 USER MOD Single : A 538 CYS SG : rot 31:sc= 0.0157 USER MOD Single : A 539 ASN : amide:sc= -2.72! C(o=-2.7!,f=-17!) USER MOD Single : A 544 THR OG1 : rot 180:sc= -0.0468 USER MOD Single : A 545 SER OG : rot -110:sc= -0.759 USER MOD Single : A 547 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 549 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 554 THR OG1 : rot 180:sc= -0.385 USER MOD Single : A 559 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 560 THR OG1 : rot -32:sc= 0.355 USER MOD Single : A 575 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 577 GLN : amide:sc= -3.76 K(o=-3.8,f=-4.5!) USER MOD Single : A 580 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 587 THR OG1 : rot 76:sc= 0.16 USER MOD Single : A 589 SER OG : rot 180:sc= 0 USER MOD Single : A 593 HIS : no HE2:sc= -0.73 K(o=-0.73,f=-9.5!) USER MOD Single : A 595 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 596 THR OG1 : rot -69:sc= 0.693 USER MOD Single : A 597 SER OG : rot 180:sc= 0.00161 USER MOD Single : A 605 SER OG : rot -72:sc= 0.84 USER MOD Single : A 606 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 112 N ILE A 490 -16.234 0.542 -9.261 1.00 0.00 N ATOM 113 CA ILE A 490 -15.078 1.265 -8.744 1.00 0.00 C ATOM 114 C ILE A 490 -14.684 2.387 -9.700 1.00 0.00 C ATOM 115 O ILE A 490 -14.289 3.471 -9.270 1.00 0.00 O ATOM 116 CB ILE A 490 -13.897 0.305 -8.563 1.00 0.00 C ATOM 117 CG1 ILE A 490 -14.236 -0.736 -7.481 1.00 0.00 C ATOM 118 CG2 ILE A 490 -12.649 1.094 -8.156 1.00 0.00 C ATOM 119 CD1 ILE A 490 -13.899 -0.188 -6.089 1.00 0.00 C ATOM 0 HA ILE A 490 -15.342 1.698 -7.779 1.00 0.00 H new ATOM 0 HB ILE A 490 -13.702 -0.210 -9.504 1.00 0.00 H new ATOM 0 HG12 ILE A 490 -15.294 -0.992 -7.532 1.00 0.00 H new ATOM 0 HG13 ILE A 490 -13.677 -1.654 -7.663 1.00 0.00 H new ATOM 0 HG21 ILE A 490 -11.811 0.409 -8.028 1.00 0.00 H new ATOM 0 HG22 ILE A 490 -12.409 1.820 -8.932 1.00 0.00 H new ATOM 0 HG23 ILE A 490 -12.838 1.615 -7.218 1.00 0.00 H new ATOM 0 HD11 ILE A 490 -14.144 -0.935 -5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 490 -12.835 0.044 -6.037 1.00 0.00 H new ATOM 0 HD13 ILE A 490 -14.478 0.717 -5.904 1.00 0.00 H new ATOM 131 N LEU A 491 -14.798 2.120 -10.997 1.00 0.00 N ATOM 132 CA LEU A 491 -14.453 3.117 -12.004 1.00 0.00 C ATOM 133 C LEU A 491 -15.128 4.448 -11.681 1.00 0.00 C ATOM 134 O LEU A 491 -14.468 5.409 -11.282 1.00 0.00 O ATOM 135 CB LEU A 491 -14.895 2.632 -13.391 1.00 0.00 C ATOM 136 CG LEU A 491 -14.004 3.255 -14.468 1.00 0.00 C ATOM 137 CD1 LEU A 491 -14.484 2.807 -15.850 1.00 0.00 C ATOM 138 CD2 LEU A 491 -14.074 4.781 -14.374 1.00 0.00 C ATOM 0 H LEU A 491 -15.124 1.230 -11.373 1.00 0.00 H new ATOM 0 HA LEU A 491 -13.372 3.260 -12.002 1.00 0.00 H new ATOM 0 HB2 LEU A 491 -14.836 1.545 -13.442 1.00 0.00 H new ATOM 0 HB3 LEU A 491 -15.936 2.903 -13.566 1.00 0.00 H new ATOM 0 HG LEU A 491 -12.975 2.930 -14.317 1.00 0.00 H new ATOM 0 HD11 LEU A 491 -13.849 3.251 -16.617 1.00 0.00 H new ATOM 0 HD12 LEU A 491 -14.431 1.720 -15.919 1.00 0.00 H new ATOM 0 HD13 LEU A 491 -15.514 3.130 -16.000 1.00 0.00 H new ATOM 0 HD21 LEU A 491 -13.439 5.222 -15.142 1.00 0.00 H new ATOM 0 HD22 LEU A 491 -15.103 5.108 -14.523 1.00 0.00 H new ATOM 0 HD23 LEU A 491 -13.730 5.101 -13.390 1.00 0.00 H new ATOM 150 N GLY A 492 -16.447 4.495 -11.847 1.00 0.00 N ATOM 151 CA GLY A 492 -17.195 5.712 -11.560 1.00 0.00 C ATOM 152 C GLY A 492 -16.822 6.253 -10.187 1.00 0.00 C ATOM 153 O GLY A 492 -16.674 7.462 -10.000 1.00 0.00 O ATOM 0 H GLY A 492 -17.014 3.713 -12.175 1.00 0.00 H new ATOM 0 HA2 GLY A 492 -16.987 6.463 -12.322 1.00 0.00 H new ATOM 0 HA3 GLY A 492 -18.265 5.507 -11.599 1.00 0.00 H new ATOM 157 N LEU A 493 -16.665 5.347 -9.228 1.00 0.00 N ATOM 158 CA LEU A 493 -16.301 5.736 -7.872 1.00 0.00 C ATOM 159 C LEU A 493 -14.929 6.404 -7.872 1.00 0.00 C ATOM 160 O LEU A 493 -14.654 7.284 -7.056 1.00 0.00 O ATOM 161 CB LEU A 493 -16.286 4.497 -6.962 1.00 0.00 C ATOM 162 CG LEU A 493 -16.834 4.854 -5.573 1.00 0.00 C ATOM 163 CD1 LEU A 493 -18.365 4.860 -5.603 1.00 0.00 C ATOM 164 CD2 LEU A 493 -16.357 3.815 -4.554 1.00 0.00 C ATOM 0 H LEU A 493 -16.784 4.343 -9.364 1.00 0.00 H new ATOM 0 HA LEU A 493 -17.037 6.445 -7.494 1.00 0.00 H new ATOM 0 HB2 LEU A 493 -16.887 3.703 -7.406 1.00 0.00 H new ATOM 0 HB3 LEU A 493 -15.269 4.114 -6.873 1.00 0.00 H new ATOM 0 HG LEU A 493 -16.473 5.843 -5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 493 -18.747 5.114 -4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 493 -18.712 5.598 -6.327 1.00 0.00 H new ATOM 0 HD13 LEU A 493 -18.727 3.873 -5.889 1.00 0.00 H new ATOM 0 HD21 LEU A 493 -16.746 4.068 -3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 493 -16.718 2.828 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 493 -15.267 3.808 -4.524 1.00 0.00 H new ATOM 176 N GLY A 494 -14.073 5.982 -8.798 1.00 0.00 N ATOM 177 CA GLY A 494 -12.735 6.549 -8.902 1.00 0.00 C ATOM 178 C GLY A 494 -12.809 8.029 -9.259 1.00 0.00 C ATOM 179 O GLY A 494 -11.951 8.818 -8.860 1.00 0.00 O ATOM 0 H GLY A 494 -14.281 5.255 -9.482 1.00 0.00 H new ATOM 0 HA2 GLY A 494 -12.206 6.423 -7.958 1.00 0.00 H new ATOM 0 HA3 GLY A 494 -12.165 6.014 -9.661 1.00 0.00 H new ATOM 183 N ILE A 495 -13.840 8.398 -10.010 1.00 0.00 N ATOM 184 CA ILE A 495 -14.021 9.789 -10.411 1.00 0.00 C ATOM 185 C ILE A 495 -14.489 10.628 -9.226 1.00 0.00 C ATOM 186 O ILE A 495 -14.065 11.771 -9.055 1.00 0.00 O ATOM 187 CB ILE A 495 -15.047 9.879 -11.542 1.00 0.00 C ATOM 188 CG1 ILE A 495 -14.518 9.137 -12.771 1.00 0.00 C ATOM 189 CG2 ILE A 495 -15.287 11.349 -11.898 1.00 0.00 C ATOM 190 CD1 ILE A 495 -15.628 9.021 -13.818 1.00 0.00 C ATOM 0 H ILE A 495 -14.558 7.760 -10.352 1.00 0.00 H new ATOM 0 HA ILE A 495 -13.064 10.175 -10.761 1.00 0.00 H new ATOM 0 HB ILE A 495 -15.984 9.426 -11.219 1.00 0.00 H new ATOM 0 HG12 ILE A 495 -13.664 9.669 -13.190 1.00 0.00 H new ATOM 0 HG13 ILE A 495 -14.168 8.145 -12.486 1.00 0.00 H new ATOM 0 HG21 ILE A 495 -16.018 11.414 -12.704 1.00 0.00 H new ATOM 0 HG22 ILE A 495 -15.664 11.878 -11.023 1.00 0.00 H new ATOM 0 HG23 ILE A 495 -14.350 11.803 -12.221 1.00 0.00 H new ATOM 0 HD11 ILE A 495 -15.249 8.492 -14.693 1.00 0.00 H new ATOM 0 HD12 ILE A 495 -16.469 8.470 -13.397 1.00 0.00 H new ATOM 0 HD13 ILE A 495 -15.957 10.018 -14.111 1.00 0.00 H new ATOM 202 N ALA A 496 -15.364 10.050 -8.409 1.00 0.00 N ATOM 203 CA ALA A 496 -15.884 10.750 -7.240 1.00 0.00 C ATOM 204 C ALA A 496 -14.842 10.778 -6.127 1.00 0.00 C ATOM 205 O ALA A 496 -14.875 11.641 -5.251 1.00 0.00 O ATOM 206 CB ALA A 496 -17.145 10.053 -6.731 1.00 0.00 C ATOM 0 H ALA A 496 -15.726 9.105 -8.534 1.00 0.00 H new ATOM 0 HA ALA A 496 -16.123 11.773 -7.531 1.00 0.00 H new ATOM 0 HB1 ALA A 496 -17.526 10.583 -5.858 1.00 0.00 H new ATOM 0 HB2 ALA A 496 -17.902 10.053 -7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 496 -16.907 9.025 -6.457 1.00 0.00 H new ATOM 212 N PHE A 497 -13.919 9.825 -6.174 1.00 0.00 N ATOM 213 CA PHE A 497 -12.865 9.738 -5.169 1.00 0.00 C ATOM 214 C PHE A 497 -12.118 11.066 -5.053 1.00 0.00 C ATOM 215 O PHE A 497 -11.213 11.207 -4.232 1.00 0.00 O ATOM 216 CB PHE A 497 -11.890 8.613 -5.550 1.00 0.00 C ATOM 217 CG PHE A 497 -12.090 7.415 -4.646 1.00 0.00 C ATOM 218 CD1 PHE A 497 -13.383 6.967 -4.345 1.00 0.00 C ATOM 219 CD2 PHE A 497 -10.978 6.752 -4.111 1.00 0.00 C ATOM 220 CE1 PHE A 497 -13.563 5.859 -3.509 1.00 0.00 C ATOM 221 CE2 PHE A 497 -11.159 5.642 -3.276 1.00 0.00 C ATOM 222 CZ PHE A 497 -12.451 5.196 -2.975 1.00 0.00 C ATOM 0 H PHE A 497 -13.878 9.104 -6.894 1.00 0.00 H new ATOM 0 HA PHE A 497 -13.316 9.517 -4.201 1.00 0.00 H new ATOM 0 HB2 PHE A 497 -12.047 8.323 -6.589 1.00 0.00 H new ATOM 0 HB3 PHE A 497 -10.863 8.970 -5.470 1.00 0.00 H new ATOM 0 HD1 PHE A 497 -14.241 7.477 -4.758 1.00 0.00 H new ATOM 0 HD2 PHE A 497 -9.981 7.097 -4.342 1.00 0.00 H new ATOM 0 HE1 PHE A 497 -14.560 5.515 -3.276 1.00 0.00 H new ATOM 0 HE2 PHE A 497 -10.302 5.130 -2.864 1.00 0.00 H new ATOM 0 HZ PHE A 497 -12.590 4.340 -2.331 1.00 0.00 H new ATOM 232 N ALA A 498 -12.502 12.036 -5.876 1.00 0.00 N ATOM 233 CA ALA A 498 -11.858 13.344 -5.848 1.00 0.00 C ATOM 234 C ALA A 498 -11.932 13.948 -4.448 1.00 0.00 C ATOM 235 O ALA A 498 -11.004 14.625 -4.004 1.00 0.00 O ATOM 236 CB ALA A 498 -12.538 14.282 -6.848 1.00 0.00 C ATOM 0 H ALA A 498 -13.249 11.943 -6.565 1.00 0.00 H new ATOM 0 HA ALA A 498 -10.810 13.219 -6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 498 -12.051 15.257 -6.821 1.00 0.00 H new ATOM 0 HB2 ALA A 498 -12.458 13.864 -7.851 1.00 0.00 H new ATOM 0 HB3 ALA A 498 -13.590 14.394 -6.585 1.00 0.00 H new ATOM 242 N GLY A 499 -13.041 13.697 -3.757 1.00 0.00 N ATOM 243 CA GLY A 499 -13.227 14.220 -2.406 1.00 0.00 C ATOM 244 C GLY A 499 -12.550 13.322 -1.376 1.00 0.00 C ATOM 245 O GLY A 499 -12.540 13.626 -0.183 1.00 0.00 O ATOM 0 H GLY A 499 -13.820 13.139 -4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 499 -12.816 15.227 -2.342 1.00 0.00 H new ATOM 0 HA3 GLY A 499 -14.292 14.296 -2.185 1.00 0.00 H new ATOM 249 N SER A 500 -11.988 12.214 -1.847 1.00 0.00 N ATOM 250 CA SER A 500 -11.309 11.270 -0.965 1.00 0.00 C ATOM 251 C SER A 500 -10.399 11.995 0.021 1.00 0.00 C ATOM 252 O SER A 500 -9.920 11.401 0.987 1.00 0.00 O ATOM 253 CB SER A 500 -10.489 10.276 -1.785 1.00 0.00 C ATOM 254 OG SER A 500 -11.361 9.511 -2.607 1.00 0.00 O ATOM 0 H SER A 500 -11.989 11.947 -2.832 1.00 0.00 H new ATOM 0 HA SER A 500 -12.071 10.732 -0.401 1.00 0.00 H new ATOM 0 HB2 SER A 500 -9.763 10.807 -2.401 1.00 0.00 H new ATOM 0 HB3 SER A 500 -9.925 9.619 -1.123 1.00 0.00 H new ATOM 0 HG SER A 500 -10.872 8.750 -2.984 1.00 0.00 H new ATOM 260 N LYS A 501 -10.155 13.278 -0.227 1.00 0.00 N ATOM 261 CA LYS A 501 -9.292 14.060 0.650 1.00 0.00 C ATOM 262 C LYS A 501 -10.020 14.401 1.946 1.00 0.00 C ATOM 263 O LYS A 501 -9.809 15.464 2.529 1.00 0.00 O ATOM 264 CB LYS A 501 -8.866 15.354 -0.048 1.00 0.00 C ATOM 265 CG LYS A 501 -7.907 15.028 -1.195 1.00 0.00 C ATOM 266 CD LYS A 501 -7.329 16.326 -1.759 1.00 0.00 C ATOM 267 CE LYS A 501 -6.351 16.004 -2.891 1.00 0.00 C ATOM 268 NZ LYS A 501 -7.114 15.657 -4.122 1.00 0.00 N ATOM 0 H LYS A 501 -10.538 13.793 -1.019 1.00 0.00 H new ATOM 0 HA LYS A 501 -8.409 13.465 0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 501 -9.742 15.878 -0.431 1.00 0.00 H new ATOM 0 HB3 LYS A 501 -8.382 16.021 0.665 1.00 0.00 H new ATOM 0 HG2 LYS A 501 -7.103 14.384 -0.839 1.00 0.00 H new ATOM 0 HG3 LYS A 501 -8.432 14.480 -1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 501 -8.132 16.963 -2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 501 -6.819 16.881 -0.972 1.00 0.00 H new ATOM 0 HE2 LYS A 501 -5.703 16.860 -3.081 1.00 0.00 H new ATOM 0 HE3 LYS A 501 -5.706 15.174 -2.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 501 -6.687 14.821 -4.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 501 -8.102 15.449 -3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 501 -7.086 16.458 -4.785 1.00 0.00 H new ATOM 282 N ASN A 502 -10.872 13.481 2.393 1.00 0.00 N ATOM 283 CA ASN A 502 -11.629 13.674 3.627 1.00 0.00 C ATOM 284 C ASN A 502 -11.296 12.570 4.626 1.00 0.00 C ATOM 285 O ASN A 502 -11.353 11.386 4.296 1.00 0.00 O ATOM 286 CB ASN A 502 -13.130 13.659 3.329 1.00 0.00 C ATOM 287 CG ASN A 502 -13.539 14.962 2.648 1.00 0.00 C ATOM 288 OD1 ASN A 502 -14.539 15.572 3.024 1.00 0.00 O ATOM 289 ND2 ASN A 502 -12.820 15.426 1.664 1.00 0.00 N ATOM 0 H ASN A 502 -11.055 12.596 1.920 1.00 0.00 H new ATOM 0 HA ASN A 502 -11.357 14.638 4.056 1.00 0.00 H new ATOM 0 HB2 ASN A 502 -13.374 12.812 2.688 1.00 0.00 H new ATOM 0 HB3 ASN A 502 -13.692 13.530 4.254 1.00 0.00 H new ATOM 0 HD21 ASN A 502 -13.086 16.297 1.204 1.00 0.00 H new ATOM 0 HD22 ASN A 502 -11.991 14.918 1.354 1.00 0.00 H new ATOM 296 N ASP A 503 -10.946 12.966 5.844 1.00 0.00 N ATOM 297 CA ASP A 503 -10.601 12.000 6.881 1.00 0.00 C ATOM 298 C ASP A 503 -11.625 10.868 6.931 1.00 0.00 C ATOM 299 O ASP A 503 -11.396 9.839 7.567 1.00 0.00 O ATOM 300 CB ASP A 503 -10.540 12.694 8.243 1.00 0.00 C ATOM 301 CG ASP A 503 -11.914 13.246 8.609 1.00 0.00 C ATOM 302 OD1 ASP A 503 -12.459 13.998 7.817 1.00 0.00 O ATOM 303 OD2 ASP A 503 -12.400 12.909 9.675 1.00 0.00 O ATOM 0 H ASP A 503 -10.894 13.942 6.137 1.00 0.00 H new ATOM 0 HA ASP A 503 -9.625 11.578 6.642 1.00 0.00 H new ATOM 0 HB2 ASP A 503 -10.207 11.989 9.005 1.00 0.00 H new ATOM 0 HB3 ASP A 503 -9.809 13.503 8.216 1.00 0.00 H new ATOM 308 N GLU A 504 -12.751 11.064 6.254 1.00 0.00 N ATOM 309 CA GLU A 504 -13.799 10.050 6.230 1.00 0.00 C ATOM 310 C GLU A 504 -13.417 8.919 5.281 1.00 0.00 C ATOM 311 O GLU A 504 -13.382 7.753 5.672 1.00 0.00 O ATOM 312 CB GLU A 504 -15.124 10.679 5.785 1.00 0.00 C ATOM 313 CG GLU A 504 -16.295 9.833 6.292 1.00 0.00 C ATOM 314 CD GLU A 504 -17.617 10.501 5.926 1.00 0.00 C ATOM 315 OE1 GLU A 504 -17.646 11.719 5.868 1.00 0.00 O ATOM 316 OE2 GLU A 504 -18.580 9.785 5.708 1.00 0.00 O ATOM 0 H GLU A 504 -12.961 11.907 5.719 1.00 0.00 H new ATOM 0 HA GLU A 504 -13.916 9.642 7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 504 -15.203 11.695 6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 504 -15.157 10.748 4.698 1.00 0.00 H new ATOM 0 HG2 GLU A 504 -16.249 8.835 5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 504 -16.226 9.712 7.373 1.00 0.00 H new ATOM 323 N VAL A 505 -13.130 9.273 4.034 1.00 0.00 N ATOM 324 CA VAL A 505 -12.748 8.281 3.036 1.00 0.00 C ATOM 325 C VAL A 505 -11.423 7.624 3.421 1.00 0.00 C ATOM 326 O VAL A 505 -11.234 6.425 3.219 1.00 0.00 O ATOM 327 CB VAL A 505 -12.630 8.952 1.658 1.00 0.00 C ATOM 328 CG1 VAL A 505 -11.631 8.190 0.781 1.00 0.00 C ATOM 329 CG2 VAL A 505 -14.003 8.958 0.976 1.00 0.00 C ATOM 0 H VAL A 505 -13.154 10.233 3.691 1.00 0.00 H new ATOM 0 HA VAL A 505 -13.515 7.508 2.991 1.00 0.00 H new ATOM 0 HB VAL A 505 -12.278 9.975 1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 505 -11.557 8.676 -0.192 1.00 0.00 H new ATOM 0 HG12 VAL A 505 -10.653 8.188 1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 505 -11.972 7.163 0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 505 -13.922 9.433 -0.001 1.00 0.00 H new ATOM 0 HG22 VAL A 505 -14.353 7.933 0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 505 -14.712 9.512 1.591 1.00 0.00 H new ATOM 339 N LEU A 506 -10.511 8.414 3.977 1.00 0.00 N ATOM 340 CA LEU A 506 -9.211 7.893 4.384 1.00 0.00 C ATOM 341 C LEU A 506 -9.371 6.858 5.494 1.00 0.00 C ATOM 342 O LEU A 506 -8.566 5.933 5.614 1.00 0.00 O ATOM 343 CB LEU A 506 -8.321 9.038 4.877 1.00 0.00 C ATOM 344 CG LEU A 506 -6.863 8.561 4.973 1.00 0.00 C ATOM 345 CD1 LEU A 506 -6.170 8.737 3.618 1.00 0.00 C ATOM 346 CD2 LEU A 506 -6.124 9.391 6.027 1.00 0.00 C ATOM 0 H LEU A 506 -10.646 9.409 4.155 1.00 0.00 H new ATOM 0 HA LEU A 506 -8.746 7.415 3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 506 -8.392 9.885 4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 506 -8.665 9.384 5.852 1.00 0.00 H new ATOM 0 HG LEU A 506 -6.848 7.508 5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 506 -5.137 8.398 3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 506 -6.693 8.149 2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 506 -6.187 9.789 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 506 -5.090 9.054 6.096 1.00 0.00 H new ATOM 0 HD22 LEU A 506 -6.144 10.443 5.742 1.00 0.00 H new ATOM 0 HD23 LEU A 506 -6.611 9.268 6.994 1.00 0.00 H new ATOM 358 N GLY A 507 -10.411 7.022 6.306 1.00 0.00 N ATOM 359 CA GLY A 507 -10.660 6.098 7.406 1.00 0.00 C ATOM 360 C GLY A 507 -11.310 4.807 6.913 1.00 0.00 C ATOM 361 O GLY A 507 -11.151 3.753 7.527 1.00 0.00 O ATOM 0 H GLY A 507 -11.089 7.779 6.224 1.00 0.00 H new ATOM 0 HA2 GLY A 507 -9.721 5.866 7.908 1.00 0.00 H new ATOM 0 HA3 GLY A 507 -11.306 6.574 8.144 1.00 0.00 H new ATOM 365 N LEU A 508 -12.045 4.895 5.809 1.00 0.00 N ATOM 366 CA LEU A 508 -12.716 3.721 5.252 1.00 0.00 C ATOM 367 C LEU A 508 -11.791 2.952 4.311 1.00 0.00 C ATOM 368 O LEU A 508 -11.722 1.724 4.359 1.00 0.00 O ATOM 369 CB LEU A 508 -13.972 4.151 4.488 1.00 0.00 C ATOM 370 CG LEU A 508 -14.909 4.920 5.424 1.00 0.00 C ATOM 371 CD1 LEU A 508 -15.999 5.607 4.598 1.00 0.00 C ATOM 372 CD2 LEU A 508 -15.560 3.954 6.421 1.00 0.00 C ATOM 0 H LEU A 508 -12.192 5.758 5.285 1.00 0.00 H new ATOM 0 HA LEU A 508 -12.992 3.067 6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 508 -13.696 4.777 3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 508 -14.482 3.276 4.086 1.00 0.00 H new ATOM 0 HG LEU A 508 -14.335 5.667 5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 508 -16.667 6.155 5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 508 -15.539 6.300 3.893 1.00 0.00 H new ATOM 0 HD13 LEU A 508 -16.568 4.856 4.050 1.00 0.00 H new ATOM 0 HD21 LEU A 508 -16.225 4.508 7.083 1.00 0.00 H new ATOM 0 HD22 LEU A 508 -16.133 3.202 5.878 1.00 0.00 H new ATOM 0 HD23 LEU A 508 -14.786 3.464 7.011 1.00 0.00 H new ATOM 384 N LEU A 509 -11.090 3.682 3.451 1.00 0.00 N ATOM 385 CA LEU A 509 -10.181 3.059 2.496 1.00 0.00 C ATOM 386 C LEU A 509 -9.067 2.303 3.216 1.00 0.00 C ATOM 387 O LEU A 509 -8.794 1.143 2.906 1.00 0.00 O ATOM 388 CB LEU A 509 -9.572 4.133 1.583 1.00 0.00 C ATOM 389 CG LEU A 509 -10.394 4.255 0.291 1.00 0.00 C ATOM 390 CD1 LEU A 509 -10.190 3.004 -0.581 1.00 0.00 C ATOM 391 CD2 LEU A 509 -11.883 4.416 0.637 1.00 0.00 C ATOM 0 H LEU A 509 -11.133 4.700 3.395 1.00 0.00 H new ATOM 0 HA LEU A 509 -10.748 2.347 1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 509 -9.550 5.092 2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 509 -8.540 3.876 1.344 1.00 0.00 H new ATOM 0 HG LEU A 509 -10.059 5.131 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 509 -10.776 3.098 -1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 509 -9.135 2.906 -0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 509 -10.515 2.120 -0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 509 -12.463 4.502 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 509 -12.222 3.546 1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 509 -12.022 5.314 1.239 1.00 0.00 H new ATOM 403 N LEU A 510 -8.421 2.965 4.171 1.00 0.00 N ATOM 404 CA LEU A 510 -7.334 2.339 4.915 1.00 0.00 C ATOM 405 C LEU A 510 -7.717 0.920 5.346 1.00 0.00 C ATOM 406 O LEU A 510 -7.122 -0.053 4.881 1.00 0.00 O ATOM 407 CB LEU A 510 -6.971 3.195 6.140 1.00 0.00 C ATOM 408 CG LEU A 510 -5.739 4.061 5.836 1.00 0.00 C ATOM 409 CD1 LEU A 510 -5.912 4.775 4.489 1.00 0.00 C ATOM 410 CD2 LEU A 510 -5.566 5.098 6.947 1.00 0.00 C ATOM 0 H LEU A 510 -8.629 3.925 4.446 1.00 0.00 H new ATOM 0 HA LEU A 510 -6.463 2.271 4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 510 -7.814 3.831 6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 510 -6.770 2.551 6.996 1.00 0.00 H new ATOM 0 HG LEU A 510 -4.857 3.423 5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 510 -5.032 5.385 4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 510 -6.031 4.035 3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 510 -6.795 5.413 4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 510 -4.693 5.715 6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 510 -6.453 5.729 6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 510 -5.429 4.589 7.901 1.00 0.00 H new ATOM 422 N PRO A 511 -8.687 0.777 6.215 1.00 0.00 N ATOM 423 CA PRO A 511 -9.131 -0.561 6.693 1.00 0.00 C ATOM 424 C PRO A 511 -9.322 -1.540 5.535 1.00 0.00 C ATOM 425 O PRO A 511 -8.946 -2.708 5.628 1.00 0.00 O ATOM 426 CB PRO A 511 -10.463 -0.299 7.420 1.00 0.00 C ATOM 427 CG PRO A 511 -10.736 1.175 7.325 1.00 0.00 C ATOM 428 CD PRO A 511 -9.459 1.859 6.831 1.00 0.00 C ATOM 0 HA PRO A 511 -8.388 -1.021 7.345 1.00 0.00 H new ATOM 0 HB2 PRO A 511 -11.270 -0.870 6.962 1.00 0.00 H new ATOM 0 HB3 PRO A 511 -10.401 -0.613 8.462 1.00 0.00 H new ATOM 0 HG2 PRO A 511 -11.561 1.367 6.639 1.00 0.00 H new ATOM 0 HG3 PRO A 511 -11.030 1.572 8.297 1.00 0.00 H new ATOM 0 HD2 PRO A 511 -9.682 2.648 6.113 1.00 0.00 H new ATOM 0 HD3 PRO A 511 -8.911 2.321 7.652 1.00 0.00 H new ATOM 436 N ILE A 512 -9.904 -1.053 4.443 1.00 0.00 N ATOM 437 CA ILE A 512 -10.136 -1.892 3.272 1.00 0.00 C ATOM 438 C ILE A 512 -8.842 -2.082 2.487 1.00 0.00 C ATOM 439 O ILE A 512 -8.707 -3.030 1.712 1.00 0.00 O ATOM 440 CB ILE A 512 -11.190 -1.250 2.368 1.00 0.00 C ATOM 441 CG1 ILE A 512 -12.500 -1.091 3.144 1.00 0.00 C ATOM 442 CG2 ILE A 512 -11.428 -2.140 1.147 1.00 0.00 C ATOM 443 CD1 ILE A 512 -13.468 -0.225 2.335 1.00 0.00 C ATOM 0 H ILE A 512 -10.222 -0.089 4.345 1.00 0.00 H new ATOM 0 HA ILE A 512 -10.492 -2.865 3.611 1.00 0.00 H new ATOM 0 HB ILE A 512 -10.839 -0.271 2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 512 -12.943 -2.068 3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 512 -12.308 -0.632 4.114 1.00 0.00 H new ATOM 0 HG21 ILE A 512 -12.179 -1.682 0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 512 -10.496 -2.254 0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 512 -11.778 -3.119 1.473 1.00 0.00 H new ATOM 0 HD11 ILE A 512 -14.401 -0.111 2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 512 -13.024 0.756 2.166 1.00 0.00 H new ATOM 0 HD13 ILE A 512 -13.669 -0.703 1.376 1.00 0.00 H new ATOM 455 N ALA A 513 -7.893 -1.172 2.690 1.00 0.00 N ATOM 456 CA ALA A 513 -6.613 -1.245 1.995 1.00 0.00 C ATOM 457 C ALA A 513 -5.647 -2.157 2.744 1.00 0.00 C ATOM 458 O ALA A 513 -4.659 -2.629 2.180 1.00 0.00 O ATOM 459 CB ALA A 513 -6.006 0.155 1.876 1.00 0.00 C ATOM 0 H ALA A 513 -7.986 -0.380 3.326 1.00 0.00 H new ATOM 0 HA ALA A 513 -6.783 -1.655 1.000 1.00 0.00 H new ATOM 0 HB1 ALA A 513 -5.050 0.094 1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 513 -6.684 0.799 1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 513 -5.852 0.570 2.872 1.00 0.00 H new ATOM 465 N ALA A 514 -5.939 -2.402 4.017 1.00 0.00 N ATOM 466 CA ALA A 514 -5.090 -3.259 4.836 1.00 0.00 C ATOM 467 C ALA A 514 -5.419 -4.729 4.595 1.00 0.00 C ATOM 468 O ALA A 514 -4.658 -5.616 4.982 1.00 0.00 O ATOM 469 CB ALA A 514 -5.285 -2.928 6.317 1.00 0.00 C ATOM 0 H ALA A 514 -6.752 -2.022 4.502 1.00 0.00 H new ATOM 0 HA ALA A 514 -4.052 -3.080 4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 514 -4.647 -3.573 6.921 1.00 0.00 H new ATOM 0 HB2 ALA A 514 -5.020 -1.886 6.495 1.00 0.00 H new ATOM 0 HB3 ALA A 514 -6.327 -3.089 6.592 1.00 0.00 H new ATOM 475 N SER A 515 -6.556 -4.980 3.953 1.00 0.00 N ATOM 476 CA SER A 515 -6.973 -6.349 3.666 1.00 0.00 C ATOM 477 C SER A 515 -6.762 -7.239 4.887 1.00 0.00 C ATOM 478 O SER A 515 -5.766 -7.957 4.978 1.00 0.00 O ATOM 479 CB SER A 515 -6.174 -6.901 2.486 1.00 0.00 C ATOM 480 OG SER A 515 -6.436 -8.292 2.350 1.00 0.00 O ATOM 0 H SER A 515 -7.200 -4.261 3.624 1.00 0.00 H new ATOM 0 HA SER A 515 -8.033 -6.342 3.414 1.00 0.00 H new ATOM 0 HB2 SER A 515 -6.447 -6.377 1.570 1.00 0.00 H new ATOM 0 HB3 SER A 515 -5.108 -6.734 2.644 1.00 0.00 H new ATOM 0 HG SER A 515 -7.272 -8.421 1.855 1.00 0.00 H new ATOM 486 N THR A 516 -7.703 -7.185 5.821 1.00 0.00 N ATOM 487 CA THR A 516 -7.610 -7.989 7.034 1.00 0.00 C ATOM 488 C THR A 516 -7.910 -9.455 6.736 1.00 0.00 C ATOM 489 O THR A 516 -7.665 -10.328 7.569 1.00 0.00 O ATOM 490 CB THR A 516 -8.595 -7.467 8.082 1.00 0.00 C ATOM 491 OG1 THR A 516 -9.883 -7.342 7.495 1.00 0.00 O ATOM 492 CG2 THR A 516 -8.128 -6.103 8.591 1.00 0.00 C ATOM 0 H THR A 516 -8.535 -6.597 5.763 1.00 0.00 H new ATOM 0 HA THR A 516 -6.593 -7.912 7.419 1.00 0.00 H new ATOM 0 HB THR A 516 -8.642 -8.165 8.918 1.00 0.00 H new ATOM 0 HG1 THR A 516 -10.212 -8.228 7.237 1.00 0.00 H new ATOM 0 HG21 THR A 516 -8.831 -5.733 9.337 1.00 0.00 H new ATOM 0 HG22 THR A 516 -7.140 -6.201 9.040 1.00 0.00 H new ATOM 0 HG23 THR A 516 -8.080 -5.401 7.759 1.00 0.00 H new ATOM 500 N ASP A 517 -8.441 -9.719 5.547 1.00 0.00 N ATOM 501 CA ASP A 517 -8.768 -11.087 5.157 1.00 0.00 C ATOM 502 C ASP A 517 -9.082 -11.165 3.667 1.00 0.00 C ATOM 503 O ASP A 517 -8.446 -11.916 2.928 1.00 0.00 O ATOM 504 CB ASP A 517 -9.973 -11.583 5.959 1.00 0.00 C ATOM 505 CG ASP A 517 -11.130 -10.598 5.825 1.00 0.00 C ATOM 506 OD1 ASP A 517 -11.136 -9.619 6.554 1.00 0.00 O ATOM 507 OD2 ASP A 517 -11.992 -10.835 4.995 1.00 0.00 O ATOM 0 H ASP A 517 -8.653 -9.012 4.843 1.00 0.00 H new ATOM 0 HA ASP A 517 -7.904 -11.718 5.366 1.00 0.00 H new ATOM 0 HB2 ASP A 517 -10.278 -12.566 5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 517 -9.700 -11.696 7.008 1.00 0.00 H new ATOM 512 N LEU A 518 -10.070 -10.390 3.231 1.00 0.00 N ATOM 513 CA LEU A 518 -10.459 -10.387 1.826 1.00 0.00 C ATOM 514 C LEU A 518 -9.222 -10.314 0.929 1.00 0.00 C ATOM 515 O LEU A 518 -8.204 -9.741 1.317 1.00 0.00 O ATOM 516 CB LEU A 518 -11.377 -9.192 1.537 1.00 0.00 C ATOM 517 CG LEU A 518 -10.839 -7.936 2.247 1.00 0.00 C ATOM 518 CD1 LEU A 518 -10.930 -6.731 1.306 1.00 0.00 C ATOM 519 CD2 LEU A 518 -11.670 -7.656 3.504 1.00 0.00 C ATOM 0 H LEU A 518 -10.611 -9.761 3.824 1.00 0.00 H new ATOM 0 HA LEU A 518 -10.995 -11.312 1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 518 -11.434 -9.017 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 518 -12.389 -9.408 1.879 1.00 0.00 H new ATOM 0 HG LEU A 518 -9.799 -8.104 2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 518 -10.548 -5.844 1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 518 -10.337 -6.922 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 518 -11.970 -6.568 1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 518 -11.286 -6.766 4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 518 -12.711 -7.494 3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 518 -11.605 -8.508 4.180 1.00 0.00 H new ATOM 531 N PRO A 519 -9.288 -10.881 -0.250 1.00 0.00 N ATOM 532 CA PRO A 519 -8.143 -10.873 -1.202 1.00 0.00 C ATOM 533 C PRO A 519 -7.521 -9.483 -1.328 1.00 0.00 C ATOM 534 O PRO A 519 -8.230 -8.478 -1.365 1.00 0.00 O ATOM 535 CB PRO A 519 -8.747 -11.328 -2.545 1.00 0.00 C ATOM 536 CG PRO A 519 -10.211 -11.569 -2.313 1.00 0.00 C ATOM 537 CD PRO A 519 -10.448 -11.588 -0.802 1.00 0.00 C ATOM 0 HA PRO A 519 -7.337 -11.525 -0.866 1.00 0.00 H new ATOM 0 HB2 PRO A 519 -8.599 -10.567 -3.311 1.00 0.00 H new ATOM 0 HB3 PRO A 519 -8.259 -12.236 -2.899 1.00 0.00 H new ATOM 0 HG2 PRO A 519 -10.806 -10.786 -2.783 1.00 0.00 H new ATOM 0 HG3 PRO A 519 -10.518 -12.515 -2.760 1.00 0.00 H new ATOM 0 HD2 PRO A 519 -11.381 -11.090 -0.538 1.00 0.00 H new ATOM 0 HD3 PRO A 519 -10.512 -12.607 -0.421 1.00 0.00 H new ATOM 545 N ILE A 520 -6.195 -9.437 -1.399 1.00 0.00 N ATOM 546 CA ILE A 520 -5.494 -8.165 -1.526 1.00 0.00 C ATOM 547 C ILE A 520 -5.669 -7.603 -2.934 1.00 0.00 C ATOM 548 O ILE A 520 -5.398 -6.429 -3.184 1.00 0.00 O ATOM 549 CB ILE A 520 -4.006 -8.353 -1.230 1.00 0.00 C ATOM 550 CG1 ILE A 520 -3.430 -9.413 -2.172 1.00 0.00 C ATOM 551 CG2 ILE A 520 -3.827 -8.809 0.220 1.00 0.00 C ATOM 552 CD1 ILE A 520 -1.968 -9.680 -1.807 1.00 0.00 C ATOM 0 H ILE A 520 -5.589 -10.257 -1.371 1.00 0.00 H new ATOM 0 HA ILE A 520 -5.917 -7.463 -0.807 1.00 0.00 H new ATOM 0 HB ILE A 520 -3.483 -7.408 -1.381 1.00 0.00 H new ATOM 0 HG12 ILE A 520 -4.008 -10.334 -2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 520 -3.502 -9.074 -3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 520 -2.766 -8.943 0.431 1.00 0.00 H new ATOM 0 HG22 ILE A 520 -4.238 -8.055 0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 520 -4.349 -9.754 0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 520 -1.558 -10.435 -2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 520 -1.395 -8.758 -1.904 1.00 0.00 H new ATOM 0 HD13 ILE A 520 -1.909 -10.037 -0.779 1.00 0.00 H new ATOM 564 N GLU A 521 -6.123 -8.453 -3.849 1.00 0.00 N ATOM 565 CA GLU A 521 -6.334 -8.037 -5.230 1.00 0.00 C ATOM 566 C GLU A 521 -7.229 -6.802 -5.286 1.00 0.00 C ATOM 567 O GLU A 521 -6.859 -5.781 -5.868 1.00 0.00 O ATOM 568 CB GLU A 521 -6.982 -9.175 -6.023 1.00 0.00 C ATOM 569 CG GLU A 521 -6.830 -8.908 -7.523 1.00 0.00 C ATOM 570 CD GLU A 521 -5.417 -9.265 -7.975 1.00 0.00 C ATOM 571 OE1 GLU A 521 -5.029 -10.407 -7.791 1.00 0.00 O ATOM 572 OE2 GLU A 521 -4.745 -8.391 -8.496 1.00 0.00 O ATOM 0 H GLU A 521 -6.351 -9.429 -3.660 1.00 0.00 H new ATOM 0 HA GLU A 521 -5.367 -7.792 -5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 521 -6.514 -10.125 -5.763 1.00 0.00 H new ATOM 0 HB3 GLU A 521 -8.037 -9.258 -5.763 1.00 0.00 H new ATOM 0 HG2 GLU A 521 -7.559 -9.496 -8.081 1.00 0.00 H new ATOM 0 HG3 GLU A 521 -7.035 -7.859 -7.737 1.00 0.00 H new ATOM 579 N THR A 522 -8.407 -6.903 -4.680 1.00 0.00 N ATOM 580 CA THR A 522 -9.348 -5.789 -4.667 1.00 0.00 C ATOM 581 C THR A 522 -8.748 -4.585 -3.949 1.00 0.00 C ATOM 582 O THR A 522 -8.921 -3.444 -4.379 1.00 0.00 O ATOM 583 CB THR A 522 -10.644 -6.208 -3.967 1.00 0.00 C ATOM 584 OG1 THR A 522 -10.331 -6.823 -2.725 1.00 0.00 O ATOM 585 CG2 THR A 522 -11.405 -7.196 -4.850 1.00 0.00 C ATOM 0 H THR A 522 -8.732 -7.739 -4.194 1.00 0.00 H new ATOM 0 HA THR A 522 -9.564 -5.511 -5.699 1.00 0.00 H new ATOM 0 HB THR A 522 -11.264 -5.329 -3.792 1.00 0.00 H new ATOM 0 HG1 THR A 522 -11.159 -7.091 -2.275 1.00 0.00 H new ATOM 0 HG21 THR A 522 -12.327 -7.494 -4.351 1.00 0.00 H new ATOM 0 HG22 THR A 522 -11.644 -6.723 -5.803 1.00 0.00 H new ATOM 0 HG23 THR A 522 -10.787 -8.077 -5.027 1.00 0.00 H new ATOM 593 N ALA A 523 -8.043 -4.847 -2.853 1.00 0.00 N ATOM 594 CA ALA A 523 -7.422 -3.774 -2.083 1.00 0.00 C ATOM 595 C ALA A 523 -6.470 -2.968 -2.961 1.00 0.00 C ATOM 596 O ALA A 523 -6.400 -1.744 -2.855 1.00 0.00 O ATOM 597 CB ALA A 523 -6.653 -4.360 -0.897 1.00 0.00 C ATOM 0 H ALA A 523 -7.888 -5.784 -2.480 1.00 0.00 H new ATOM 0 HA ALA A 523 -8.207 -3.113 -1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 523 -6.192 -3.553 -0.327 1.00 0.00 H new ATOM 0 HB2 ALA A 523 -7.340 -4.911 -0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 523 -5.878 -5.034 -1.263 1.00 0.00 H new ATOM 603 N ALA A 524 -5.741 -3.663 -3.828 1.00 0.00 N ATOM 604 CA ALA A 524 -4.798 -2.999 -4.721 1.00 0.00 C ATOM 605 C ALA A 524 -5.509 -1.943 -5.560 1.00 0.00 C ATOM 606 O ALA A 524 -5.001 -0.836 -5.744 1.00 0.00 O ATOM 607 CB ALA A 524 -4.139 -4.027 -5.643 1.00 0.00 C ATOM 0 H ALA A 524 -5.784 -4.677 -3.931 1.00 0.00 H new ATOM 0 HA ALA A 524 -4.034 -2.512 -4.115 1.00 0.00 H new ATOM 0 HB1 ALA A 524 -3.436 -3.523 -6.307 1.00 0.00 H new ATOM 0 HB2 ALA A 524 -3.606 -4.765 -5.043 1.00 0.00 H new ATOM 0 HB3 ALA A 524 -4.904 -4.527 -6.237 1.00 0.00 H new ATOM 613 N MET A 525 -6.687 -2.292 -6.066 1.00 0.00 N ATOM 614 CA MET A 525 -7.462 -1.365 -6.884 1.00 0.00 C ATOM 615 C MET A 525 -7.856 -0.137 -6.071 1.00 0.00 C ATOM 616 O MET A 525 -7.662 0.998 -6.507 1.00 0.00 O ATOM 617 CB MET A 525 -8.723 -2.057 -7.407 1.00 0.00 C ATOM 618 CG MET A 525 -8.364 -3.452 -7.922 1.00 0.00 C ATOM 619 SD MET A 525 -7.051 -3.320 -9.161 1.00 0.00 S ATOM 620 CE MET A 525 -6.964 -5.075 -9.589 1.00 0.00 C ATOM 0 H MET A 525 -7.124 -3.203 -5.926 1.00 0.00 H new ATOM 0 HA MET A 525 -6.845 -1.050 -7.726 1.00 0.00 H new ATOM 0 HB2 MET A 525 -9.466 -2.131 -6.613 1.00 0.00 H new ATOM 0 HB3 MET A 525 -9.169 -1.466 -8.207 1.00 0.00 H new ATOM 0 HG2 MET A 525 -8.037 -4.083 -7.096 1.00 0.00 H new ATOM 0 HG3 MET A 525 -9.243 -3.928 -8.357 1.00 0.00 H new ATOM 0 HE1 MET A 525 -6.201 -5.226 -10.353 1.00 0.00 H new ATOM 0 HE2 MET A 525 -6.708 -5.654 -8.702 1.00 0.00 H new ATOM 0 HE3 MET A 525 -7.930 -5.405 -9.971 1.00 0.00 H new ATOM 630 N ALA A 526 -8.411 -0.372 -4.886 1.00 0.00 N ATOM 631 CA ALA A 526 -8.829 0.723 -4.019 1.00 0.00 C ATOM 632 C ALA A 526 -7.643 1.619 -3.679 1.00 0.00 C ATOM 633 O ALA A 526 -7.712 2.840 -3.823 1.00 0.00 O ATOM 634 CB ALA A 526 -9.436 0.168 -2.730 1.00 0.00 C ATOM 0 H ALA A 526 -8.581 -1.304 -4.507 1.00 0.00 H new ATOM 0 HA ALA A 526 -9.578 1.313 -4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 526 -9.745 0.993 -2.089 1.00 0.00 H new ATOM 0 HB2 ALA A 526 -10.302 -0.448 -2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 526 -8.694 -0.437 -2.210 1.00 0.00 H new ATOM 640 N SER A 527 -6.554 1.004 -3.228 1.00 0.00 N ATOM 641 CA SER A 527 -5.358 1.756 -2.870 1.00 0.00 C ATOM 642 C SER A 527 -4.877 2.592 -4.053 1.00 0.00 C ATOM 643 O SER A 527 -4.325 3.678 -3.875 1.00 0.00 O ATOM 644 CB SER A 527 -4.248 0.799 -2.436 1.00 0.00 C ATOM 645 OG SER A 527 -4.725 -0.021 -1.376 1.00 0.00 O ATOM 0 H SER A 527 -6.476 -0.005 -3.103 1.00 0.00 H new ATOM 0 HA SER A 527 -5.606 2.423 -2.044 1.00 0.00 H new ATOM 0 HB2 SER A 527 -3.935 0.181 -3.277 1.00 0.00 H new ATOM 0 HB3 SER A 527 -3.373 1.362 -2.111 1.00 0.00 H new ATOM 0 HG SER A 527 -5.291 -0.733 -1.742 1.00 0.00 H new ATOM 651 N LEU A 528 -5.092 2.080 -5.260 1.00 0.00 N ATOM 652 CA LEU A 528 -4.677 2.788 -6.466 1.00 0.00 C ATOM 653 C LEU A 528 -5.404 4.126 -6.574 1.00 0.00 C ATOM 654 O LEU A 528 -4.775 5.183 -6.612 1.00 0.00 O ATOM 655 CB LEU A 528 -4.976 1.929 -7.701 1.00 0.00 C ATOM 656 CG LEU A 528 -3.985 2.262 -8.820 1.00 0.00 C ATOM 657 CD1 LEU A 528 -4.267 1.373 -10.032 1.00 0.00 C ATOM 658 CD2 LEU A 528 -4.138 3.733 -9.219 1.00 0.00 C ATOM 0 H LEU A 528 -5.548 1.183 -5.429 1.00 0.00 H new ATOM 0 HA LEU A 528 -3.605 2.977 -6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 528 -4.907 0.872 -7.445 1.00 0.00 H new ATOM 0 HB3 LEU A 528 -5.996 2.108 -8.041 1.00 0.00 H new ATOM 0 HG LEU A 528 -2.968 2.086 -8.468 1.00 0.00 H new ATOM 0 HD11 LEU A 528 -3.562 1.610 -10.829 1.00 0.00 H new ATOM 0 HD12 LEU A 528 -4.157 0.326 -9.749 1.00 0.00 H new ATOM 0 HD13 LEU A 528 -5.284 1.549 -10.383 1.00 0.00 H new ATOM 0 HD21 LEU A 528 -3.432 3.969 -10.015 1.00 0.00 H new ATOM 0 HD22 LEU A 528 -5.154 3.911 -9.570 1.00 0.00 H new ATOM 0 HD23 LEU A 528 -3.936 4.367 -8.356 1.00 0.00 H new ATOM 670 N ALA A 529 -6.730 4.071 -6.619 1.00 0.00 N ATOM 671 CA ALA A 529 -7.533 5.285 -6.720 1.00 0.00 C ATOM 672 C ALA A 529 -7.178 6.256 -5.598 1.00 0.00 C ATOM 673 O ALA A 529 -7.032 7.456 -5.826 1.00 0.00 O ATOM 674 CB ALA A 529 -9.020 4.935 -6.645 1.00 0.00 C ATOM 0 H ALA A 529 -7.269 3.206 -6.587 1.00 0.00 H new ATOM 0 HA ALA A 529 -7.321 5.761 -7.677 1.00 0.00 H new ATOM 0 HB1 ALA A 529 -9.613 5.847 -6.721 1.00 0.00 H new ATOM 0 HB2 ALA A 529 -9.278 4.265 -7.465 1.00 0.00 H new ATOM 0 HB3 ALA A 529 -9.231 4.444 -5.695 1.00 0.00 H new ATOM 680 N LEU A 530 -7.040 5.726 -4.385 1.00 0.00 N ATOM 681 CA LEU A 530 -6.700 6.556 -3.235 1.00 0.00 C ATOM 682 C LEU A 530 -5.519 7.464 -3.568 1.00 0.00 C ATOM 683 O LEU A 530 -5.548 8.664 -3.290 1.00 0.00 O ATOM 684 CB LEU A 530 -6.351 5.665 -2.034 1.00 0.00 C ATOM 685 CG LEU A 530 -6.795 6.343 -0.733 1.00 0.00 C ATOM 686 CD1 LEU A 530 -6.390 5.474 0.461 1.00 0.00 C ATOM 687 CD2 LEU A 530 -6.127 7.716 -0.615 1.00 0.00 C ATOM 0 H LEU A 530 -7.157 4.735 -4.175 1.00 0.00 H new ATOM 0 HA LEU A 530 -7.560 7.177 -2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 530 -6.841 4.696 -2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 530 -5.277 5.478 -2.009 1.00 0.00 H new ATOM 0 HG LEU A 530 -7.878 6.467 -0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 530 -6.706 5.956 1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 530 -6.868 4.498 0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 530 -5.307 5.348 0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 530 -6.444 8.196 0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 530 -5.044 7.594 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 530 -6.417 8.336 -1.463 1.00 0.00 H new ATOM 699 N ALA A 531 -4.485 6.885 -4.166 1.00 0.00 N ATOM 700 CA ALA A 531 -3.300 7.650 -4.535 1.00 0.00 C ATOM 701 C ALA A 531 -3.655 8.733 -5.548 1.00 0.00 C ATOM 702 O ALA A 531 -3.335 9.905 -5.354 1.00 0.00 O ATOM 703 CB ALA A 531 -2.241 6.720 -5.129 1.00 0.00 C ATOM 0 H ALA A 531 -4.442 5.894 -4.405 1.00 0.00 H new ATOM 0 HA ALA A 531 -2.903 8.124 -3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 531 -1.359 7.300 -5.402 1.00 0.00 H new ATOM 0 HB2 ALA A 531 -1.965 5.965 -4.393 1.00 0.00 H new ATOM 0 HB3 ALA A 531 -2.643 6.231 -6.017 1.00 0.00 H new ATOM 709 N HIS A 532 -4.318 8.334 -6.628 1.00 0.00 N ATOM 710 CA HIS A 532 -4.711 9.283 -7.666 1.00 0.00 C ATOM 711 C HIS A 532 -5.242 10.572 -7.044 1.00 0.00 C ATOM 712 O HIS A 532 -5.183 11.638 -7.655 1.00 0.00 O ATOM 713 CB HIS A 532 -5.789 8.666 -8.558 1.00 0.00 C ATOM 714 CG HIS A 532 -6.142 9.630 -9.656 1.00 0.00 C ATOM 715 ND1 HIS A 532 -7.140 10.580 -9.514 1.00 0.00 N ATOM 716 CD2 HIS A 532 -5.635 9.804 -10.920 1.00 0.00 C ATOM 717 CE1 HIS A 532 -7.202 11.277 -10.662 1.00 0.00 C ATOM 718 NE2 HIS A 532 -6.307 10.845 -11.554 1.00 0.00 N ATOM 0 H HIS A 532 -4.593 7.368 -6.808 1.00 0.00 H new ATOM 0 HA HIS A 532 -3.832 9.517 -8.266 1.00 0.00 H new ATOM 0 HB2 HIS A 532 -5.431 7.728 -8.984 1.00 0.00 H new ATOM 0 HB3 HIS A 532 -6.674 8.431 -7.967 1.00 0.00 H new ATOM 0 HD2 HIS A 532 -4.837 9.222 -11.356 1.00 0.00 H new ATOM 0 HE1 HIS A 532 -7.892 12.088 -10.841 1.00 0.00 H new ATOM 0 HE2 HIS A 532 -6.150 11.201 -12.497 1.00 0.00 H new ATOM 726 N VAL A 533 -5.764 10.463 -5.825 1.00 0.00 N ATOM 727 CA VAL A 533 -6.308 11.624 -5.126 1.00 0.00 C ATOM 728 C VAL A 533 -5.216 12.323 -4.320 1.00 0.00 C ATOM 729 O VAL A 533 -4.933 13.502 -4.535 1.00 0.00 O ATOM 730 CB VAL A 533 -7.438 11.182 -4.190 1.00 0.00 C ATOM 731 CG1 VAL A 533 -8.046 12.406 -3.479 1.00 0.00 C ATOM 732 CG2 VAL A 533 -8.524 10.465 -5.005 1.00 0.00 C ATOM 0 H VAL A 533 -5.822 9.588 -5.303 1.00 0.00 H new ATOM 0 HA VAL A 533 -6.700 12.324 -5.864 1.00 0.00 H new ATOM 0 HB VAL A 533 -7.036 10.502 -3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 533 -8.848 12.081 -2.816 1.00 0.00 H new ATOM 0 HG12 VAL A 533 -7.274 12.908 -2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 533 -8.446 13.096 -4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 533 -9.329 10.150 -4.341 1.00 0.00 H new ATOM 0 HG22 VAL A 533 -8.921 11.144 -5.759 1.00 0.00 H new ATOM 0 HG23 VAL A 533 -8.094 9.591 -5.494 1.00 0.00 H new ATOM 742 N PHE A 534 -4.612 11.592 -3.389 1.00 0.00 N ATOM 743 CA PHE A 534 -3.556 12.154 -2.553 1.00 0.00 C ATOM 744 C PHE A 534 -2.290 12.391 -3.373 1.00 0.00 C ATOM 745 O PHE A 534 -1.277 12.853 -2.848 1.00 0.00 O ATOM 746 CB PHE A 534 -3.250 11.204 -1.389 1.00 0.00 C ATOM 747 CG PHE A 534 -4.237 11.445 -0.269 1.00 0.00 C ATOM 748 CD1 PHE A 534 -5.582 11.090 -0.433 1.00 0.00 C ATOM 749 CD2 PHE A 534 -3.808 12.025 0.932 1.00 0.00 C ATOM 750 CE1 PHE A 534 -6.496 11.314 0.604 1.00 0.00 C ATOM 751 CE2 PHE A 534 -4.723 12.248 1.968 1.00 0.00 C ATOM 752 CZ PHE A 534 -6.067 11.893 1.804 1.00 0.00 C ATOM 0 H PHE A 534 -4.833 10.615 -3.195 1.00 0.00 H new ATOM 0 HA PHE A 534 -3.899 13.110 -2.158 1.00 0.00 H new ATOM 0 HB2 PHE A 534 -3.310 10.169 -1.725 1.00 0.00 H new ATOM 0 HB3 PHE A 534 -2.233 11.365 -1.032 1.00 0.00 H new ATOM 0 HD1 PHE A 534 -5.914 10.644 -1.359 1.00 0.00 H new ATOM 0 HD2 PHE A 534 -2.771 12.300 1.059 1.00 0.00 H new ATOM 0 HE1 PHE A 534 -7.533 11.040 0.478 1.00 0.00 H new ATOM 0 HE2 PHE A 534 -4.392 12.694 2.894 1.00 0.00 H new ATOM 0 HZ PHE A 534 -6.773 12.066 2.603 1.00 0.00 H new ATOM 762 N VAL A 535 -2.355 12.070 -4.660 1.00 0.00 N ATOM 763 CA VAL A 535 -1.207 12.251 -5.542 1.00 0.00 C ATOM 764 C VAL A 535 -0.639 13.658 -5.394 1.00 0.00 C ATOM 765 O VAL A 535 0.470 13.941 -5.850 1.00 0.00 O ATOM 766 CB VAL A 535 -1.626 12.018 -6.994 1.00 0.00 C ATOM 767 CG1 VAL A 535 -2.719 13.017 -7.376 1.00 0.00 C ATOM 768 CG2 VAL A 535 -0.416 12.210 -7.912 1.00 0.00 C ATOM 0 H VAL A 535 -3.184 11.686 -5.114 1.00 0.00 H new ATOM 0 HA VAL A 535 -0.439 11.529 -5.265 1.00 0.00 H new ATOM 0 HB VAL A 535 -2.007 11.003 -7.103 1.00 0.00 H new ATOM 0 HG11 VAL A 535 -3.018 12.851 -8.411 1.00 0.00 H new ATOM 0 HG12 VAL A 535 -3.581 12.880 -6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 535 -2.338 14.032 -7.267 1.00 0.00 H new ATOM 0 HG21 VAL A 535 -0.715 12.044 -8.947 1.00 0.00 H new ATOM 0 HG22 VAL A 535 -0.034 13.225 -7.803 1.00 0.00 H new ATOM 0 HG23 VAL A 535 0.363 11.498 -7.640 1.00 0.00 H new ATOM 778 N GLY A 536 -1.404 14.536 -4.752 1.00 0.00 N ATOM 779 CA GLY A 536 -0.969 15.915 -4.545 1.00 0.00 C ATOM 780 C GLY A 536 -0.592 16.150 -3.086 1.00 0.00 C ATOM 781 O GLY A 536 0.333 16.905 -2.788 1.00 0.00 O ATOM 0 H GLY A 536 -2.324 14.320 -4.368 1.00 0.00 H new ATOM 0 HA2 GLY A 536 -0.114 16.132 -5.186 1.00 0.00 H new ATOM 0 HA3 GLY A 536 -1.766 16.600 -4.834 1.00 0.00 H new ATOM 785 N THR A 537 -1.317 15.498 -2.180 1.00 0.00 N ATOM 786 CA THR A 537 -1.053 15.640 -0.751 1.00 0.00 C ATOM 787 C THR A 537 -0.242 14.454 -0.236 1.00 0.00 C ATOM 788 O THR A 537 0.055 13.523 -0.983 1.00 0.00 O ATOM 789 CB THR A 537 -2.374 15.728 0.016 1.00 0.00 C ATOM 790 OG1 THR A 537 -3.208 14.638 -0.351 1.00 0.00 O ATOM 791 CG2 THR A 537 -3.076 17.045 -0.319 1.00 0.00 C ATOM 0 H THR A 537 -2.087 14.870 -2.408 1.00 0.00 H new ATOM 0 HA THR A 537 -0.479 16.554 -0.594 1.00 0.00 H new ATOM 0 HB THR A 537 -2.174 15.688 1.087 1.00 0.00 H new ATOM 0 HG1 THR A 537 -3.019 13.871 0.229 1.00 0.00 H new ATOM 0 HG21 THR A 537 -4.017 17.105 0.228 1.00 0.00 H new ATOM 0 HG22 THR A 537 -2.436 17.881 -0.035 1.00 0.00 H new ATOM 0 HG23 THR A 537 -3.276 17.089 -1.390 1.00 0.00 H new ATOM 799 N CYS A 538 0.112 14.496 1.046 1.00 0.00 N ATOM 800 CA CYS A 538 0.891 13.420 1.654 1.00 0.00 C ATOM 801 C CYS A 538 0.368 13.102 3.051 1.00 0.00 C ATOM 802 O CYS A 538 -0.158 13.976 3.742 1.00 0.00 O ATOM 803 CB CYS A 538 2.363 13.825 1.740 1.00 0.00 C ATOM 804 SG CYS A 538 2.499 15.429 2.568 1.00 0.00 S ATOM 0 H CYS A 538 -0.126 15.258 1.681 1.00 0.00 H new ATOM 0 HA CYS A 538 0.794 12.531 1.031 1.00 0.00 H new ATOM 0 HB2 CYS A 538 2.927 13.071 2.289 1.00 0.00 H new ATOM 0 HB3 CYS A 538 2.795 13.882 0.741 1.00 0.00 H new ATOM 0 HG CYS A 538 1.534 15.556 3.430 1.00 0.00 H new ATOM 810 N ASN A 539 0.515 11.846 3.461 1.00 0.00 N ATOM 811 CA ASN A 539 0.053 11.422 4.779 1.00 0.00 C ATOM 812 C ASN A 539 0.736 10.122 5.194 1.00 0.00 C ATOM 813 O ASN A 539 0.906 9.212 4.383 1.00 0.00 O ATOM 814 CB ASN A 539 -1.463 11.221 4.760 1.00 0.00 C ATOM 815 CG ASN A 539 -1.984 11.033 6.180 1.00 0.00 C ATOM 816 OD1 ASN A 539 -1.213 10.728 7.089 1.00 0.00 O ATOM 817 ND2 ASN A 539 -3.254 11.198 6.426 1.00 0.00 N ATOM 0 H ASN A 539 0.947 11.108 2.905 1.00 0.00 H new ATOM 0 HA ASN A 539 0.308 12.199 5.500 1.00 0.00 H new ATOM 0 HB2 ASN A 539 -1.946 12.082 4.298 1.00 0.00 H new ATOM 0 HB3 ASN A 539 -1.715 10.351 4.154 1.00 0.00 H new ATOM 0 HD21 ASN A 539 -3.610 11.074 7.374 1.00 0.00 H new ATOM 0 HD22 ASN A 539 -3.891 11.451 5.671 1.00 0.00 H new ATOM 824 N GLY A 540 1.131 10.044 6.460 1.00 0.00 N ATOM 825 CA GLY A 540 1.797 8.851 6.972 1.00 0.00 C ATOM 826 C GLY A 540 0.791 7.744 7.274 1.00 0.00 C ATOM 827 O GLY A 540 1.161 6.579 7.415 1.00 0.00 O ATOM 0 H GLY A 540 1.003 10.787 7.147 1.00 0.00 H new ATOM 0 HA2 GLY A 540 2.524 8.496 6.242 1.00 0.00 H new ATOM 0 HA3 GLY A 540 2.350 9.100 7.878 1.00 0.00 H new ATOM 831 N ASP A 541 -0.480 8.116 7.380 1.00 0.00 N ATOM 832 CA ASP A 541 -1.529 7.145 7.674 1.00 0.00 C ATOM 833 C ASP A 541 -1.635 6.103 6.564 1.00 0.00 C ATOM 834 O ASP A 541 -1.502 4.903 6.813 1.00 0.00 O ATOM 835 CB ASP A 541 -2.871 7.862 7.836 1.00 0.00 C ATOM 836 CG ASP A 541 -2.736 8.994 8.848 1.00 0.00 C ATOM 837 OD1 ASP A 541 -1.621 9.431 9.075 1.00 0.00 O ATOM 838 OD2 ASP A 541 -3.752 9.409 9.382 1.00 0.00 O ATOM 0 H ASP A 541 -0.808 9.075 7.268 1.00 0.00 H new ATOM 0 HA ASP A 541 -1.272 6.636 8.603 1.00 0.00 H new ATOM 0 HB2 ASP A 541 -3.199 8.259 6.875 1.00 0.00 H new ATOM 0 HB3 ASP A 541 -3.633 7.156 8.167 1.00 0.00 H new ATOM 843 N ILE A 542 -1.875 6.563 5.339 1.00 0.00 N ATOM 844 CA ILE A 542 -1.996 5.647 4.205 1.00 0.00 C ATOM 845 C ILE A 542 -0.887 4.600 4.266 1.00 0.00 C ATOM 846 O ILE A 542 -1.135 3.407 4.090 1.00 0.00 O ATOM 847 CB ILE A 542 -1.918 6.407 2.863 1.00 0.00 C ATOM 848 CG1 ILE A 542 -1.903 7.918 3.109 1.00 0.00 C ATOM 849 CG2 ILE A 542 -3.130 6.056 1.996 1.00 0.00 C ATOM 850 CD1 ILE A 542 -1.825 8.649 1.768 1.00 0.00 C ATOM 0 H ILE A 542 -1.988 7.550 5.106 1.00 0.00 H new ATOM 0 HA ILE A 542 -2.968 5.158 4.266 1.00 0.00 H new ATOM 0 HB ILE A 542 -1.001 6.114 2.352 1.00 0.00 H new ATOM 0 HG12 ILE A 542 -2.801 8.219 3.648 1.00 0.00 H new ATOM 0 HG13 ILE A 542 -1.051 8.188 3.733 1.00 0.00 H new ATOM 0 HG21 ILE A 542 -3.069 6.595 1.051 1.00 0.00 H new ATOM 0 HG22 ILE A 542 -3.140 4.983 1.802 1.00 0.00 H new ATOM 0 HG23 ILE A 542 -4.044 6.339 2.517 1.00 0.00 H new ATOM 0 HD11 ILE A 542 -1.814 9.725 1.940 1.00 0.00 H new ATOM 0 HD12 ILE A 542 -0.914 8.356 1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 542 -2.691 8.388 1.160 1.00 0.00 H new ATOM 862 N THR A 543 0.335 5.058 4.521 1.00 0.00 N ATOM 863 CA THR A 543 1.474 4.154 4.610 1.00 0.00 C ATOM 864 C THR A 543 1.221 3.086 5.668 1.00 0.00 C ATOM 865 O THR A 543 1.566 1.921 5.483 1.00 0.00 O ATOM 866 CB THR A 543 2.739 4.939 4.967 1.00 0.00 C ATOM 867 OG1 THR A 543 2.827 6.091 4.141 1.00 0.00 O ATOM 868 CG2 THR A 543 3.969 4.056 4.751 1.00 0.00 C ATOM 0 H THR A 543 0.560 6.042 4.668 1.00 0.00 H new ATOM 0 HA THR A 543 1.610 3.671 3.642 1.00 0.00 H new ATOM 0 HB THR A 543 2.695 5.244 6.013 1.00 0.00 H new ATOM 0 HG1 THR A 543 3.635 6.596 4.369 1.00 0.00 H new ATOM 0 HG21 THR A 543 4.869 4.616 5.006 1.00 0.00 H new ATOM 0 HG22 THR A 543 3.899 3.173 5.387 1.00 0.00 H new ATOM 0 HG23 THR A 543 4.017 3.748 3.707 1.00 0.00 H new ATOM 876 N THR A 544 0.615 3.497 6.776 1.00 0.00 N ATOM 877 CA THR A 544 0.318 2.574 7.866 1.00 0.00 C ATOM 878 C THR A 544 -0.426 1.347 7.350 1.00 0.00 C ATOM 879 O THR A 544 0.011 0.214 7.556 1.00 0.00 O ATOM 880 CB THR A 544 -0.530 3.278 8.929 1.00 0.00 C ATOM 881 OG1 THR A 544 -0.010 4.579 9.164 1.00 0.00 O ATOM 882 CG2 THR A 544 -0.499 2.471 10.227 1.00 0.00 C ATOM 0 H THR A 544 0.321 4.459 6.943 1.00 0.00 H new ATOM 0 HA THR A 544 1.261 2.250 8.306 1.00 0.00 H new ATOM 0 HB THR A 544 -1.559 3.357 8.578 1.00 0.00 H new ATOM 0 HG1 THR A 544 -0.553 5.031 9.843 1.00 0.00 H new ATOM 0 HG21 THR A 544 -1.103 2.974 10.982 1.00 0.00 H new ATOM 0 HG22 THR A 544 -0.901 1.474 10.045 1.00 0.00 H new ATOM 0 HG23 THR A 544 0.529 2.389 10.580 1.00 0.00 H new ATOM 890 N SER A 545 -1.549 1.576 6.678 1.00 0.00 N ATOM 891 CA SER A 545 -2.341 0.475 6.139 1.00 0.00 C ATOM 892 C SER A 545 -1.543 -0.286 5.087 1.00 0.00 C ATOM 893 O SER A 545 -1.543 -1.517 5.058 1.00 0.00 O ATOM 894 CB SER A 545 -3.630 1.009 5.516 1.00 0.00 C ATOM 895 OG SER A 545 -4.560 1.303 6.550 1.00 0.00 O ATOM 0 H SER A 545 -1.929 2.504 6.494 1.00 0.00 H new ATOM 0 HA SER A 545 -2.591 -0.202 6.956 1.00 0.00 H new ATOM 0 HB2 SER A 545 -3.422 1.905 4.932 1.00 0.00 H new ATOM 0 HB3 SER A 545 -4.050 0.272 4.831 1.00 0.00 H new ATOM 0 HG SER A 545 -5.296 0.657 6.521 1.00 0.00 H new ATOM 901 N ILE A 546 -0.868 0.461 4.223 1.00 0.00 N ATOM 902 CA ILE A 546 -0.066 -0.139 3.164 1.00 0.00 C ATOM 903 C ILE A 546 1.100 -0.932 3.759 1.00 0.00 C ATOM 904 O ILE A 546 1.600 -1.871 3.141 1.00 0.00 O ATOM 905 CB ILE A 546 0.449 0.971 2.229 1.00 0.00 C ATOM 906 CG1 ILE A 546 -0.484 1.097 1.020 1.00 0.00 C ATOM 907 CG2 ILE A 546 1.866 0.654 1.741 1.00 0.00 C ATOM 908 CD1 ILE A 546 -0.211 2.421 0.301 1.00 0.00 C ATOM 0 H ILE A 546 -0.860 1.481 4.234 1.00 0.00 H new ATOM 0 HA ILE A 546 -0.682 -0.832 2.591 1.00 0.00 H new ATOM 0 HB ILE A 546 0.469 1.909 2.784 1.00 0.00 H new ATOM 0 HG12 ILE A 546 -0.328 0.261 0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 546 -1.524 1.054 1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 546 2.211 1.451 1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 546 2.536 0.576 2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 546 1.861 -0.290 1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 546 -0.874 2.511 -0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 546 -0.389 3.250 0.986 1.00 0.00 H new ATOM 0 HD13 ILE A 546 0.825 2.445 -0.036 1.00 0.00 H new ATOM 920 N MET A 547 1.527 -0.549 4.959 1.00 0.00 N ATOM 921 CA MET A 547 2.635 -1.237 5.615 1.00 0.00 C ATOM 922 C MET A 547 2.167 -2.566 6.202 1.00 0.00 C ATOM 923 O MET A 547 2.778 -3.608 5.964 1.00 0.00 O ATOM 924 CB MET A 547 3.214 -0.360 6.730 1.00 0.00 C ATOM 925 CG MET A 547 4.627 -0.833 7.076 1.00 0.00 C ATOM 926 SD MET A 547 5.784 -0.253 5.810 1.00 0.00 S ATOM 927 CE MET A 547 7.140 -1.382 6.207 1.00 0.00 C ATOM 0 H MET A 547 1.129 0.224 5.492 1.00 0.00 H new ATOM 0 HA MET A 547 3.407 -1.431 4.871 1.00 0.00 H new ATOM 0 HB2 MET A 547 3.237 0.682 6.412 1.00 0.00 H new ATOM 0 HB3 MET A 547 2.577 -0.410 7.613 1.00 0.00 H new ATOM 0 HG2 MET A 547 4.920 -0.452 8.054 1.00 0.00 H new ATOM 0 HG3 MET A 547 4.653 -1.921 7.137 1.00 0.00 H new ATOM 0 HE1 MET A 547 7.977 -1.196 5.534 1.00 0.00 H new ATOM 0 HE2 MET A 547 7.459 -1.220 7.237 1.00 0.00 H new ATOM 0 HE3 MET A 547 6.802 -2.412 6.090 1.00 0.00 H new ATOM 937 N ASP A 548 1.082 -2.521 6.967 1.00 0.00 N ATOM 938 CA ASP A 548 0.543 -3.728 7.580 1.00 0.00 C ATOM 939 C ASP A 548 0.342 -4.818 6.531 1.00 0.00 C ATOM 940 O ASP A 548 0.551 -6.000 6.802 1.00 0.00 O ATOM 941 CB ASP A 548 -0.792 -3.418 8.259 1.00 0.00 C ATOM 942 CG ASP A 548 -0.622 -2.266 9.243 1.00 0.00 C ATOM 943 OD1 ASP A 548 0.468 -2.120 9.771 1.00 0.00 O ATOM 944 OD2 ASP A 548 -1.584 -1.547 9.455 1.00 0.00 O ATOM 0 H ASP A 548 0.562 -1.669 7.176 1.00 0.00 H new ATOM 0 HA ASP A 548 1.255 -4.083 8.325 1.00 0.00 H new ATOM 0 HB2 ASP A 548 -1.539 -3.159 7.509 1.00 0.00 H new ATOM 0 HB3 ASP A 548 -1.158 -4.302 8.781 1.00 0.00 H new ATOM 949 N ASN A 549 -0.064 -4.411 5.332 1.00 0.00 N ATOM 950 CA ASN A 549 -0.290 -5.360 4.249 1.00 0.00 C ATOM 951 C ASN A 549 1.036 -5.918 3.741 1.00 0.00 C ATOM 952 O ASN A 549 1.128 -7.090 3.380 1.00 0.00 O ATOM 953 CB ASN A 549 -1.032 -4.675 3.100 1.00 0.00 C ATOM 954 CG ASN A 549 -1.312 -5.678 1.987 1.00 0.00 C ATOM 955 OD1 ASN A 549 -1.511 -6.864 2.253 1.00 0.00 O ATOM 956 ND2 ASN A 549 -1.340 -5.272 0.747 1.00 0.00 N ATOM 0 H ASN A 549 -0.242 -3.437 5.087 1.00 0.00 H new ATOM 0 HA ASN A 549 -0.895 -6.182 4.632 1.00 0.00 H new ATOM 0 HB2 ASN A 549 -1.969 -4.251 3.463 1.00 0.00 H new ATOM 0 HB3 ASN A 549 -0.436 -3.848 2.714 1.00 0.00 H new ATOM 0 HD21 ASN A 549 -1.527 -5.937 -0.003 1.00 0.00 H new ATOM 0 HD22 ASN A 549 -1.175 -4.289 0.528 1.00 0.00 H new ATOM 963 N PHE A 550 2.058 -5.069 3.718 1.00 0.00 N ATOM 964 CA PHE A 550 3.376 -5.489 3.253 1.00 0.00 C ATOM 965 C PHE A 550 3.848 -6.718 4.027 1.00 0.00 C ATOM 966 O PHE A 550 4.507 -7.599 3.472 1.00 0.00 O ATOM 967 CB PHE A 550 4.382 -4.339 3.429 1.00 0.00 C ATOM 968 CG PHE A 550 4.917 -3.908 2.081 1.00 0.00 C ATOM 969 CD1 PHE A 550 5.672 -4.801 1.310 1.00 0.00 C ATOM 970 CD2 PHE A 550 4.660 -2.618 1.602 1.00 0.00 C ATOM 971 CE1 PHE A 550 6.169 -4.404 0.063 1.00 0.00 C ATOM 972 CE2 PHE A 550 5.156 -2.220 0.354 1.00 0.00 C ATOM 973 CZ PHE A 550 5.911 -3.115 -0.415 1.00 0.00 C ATOM 0 H PHE A 550 2.001 -4.094 4.013 1.00 0.00 H new ATOM 0 HA PHE A 550 3.309 -5.748 2.196 1.00 0.00 H new ATOM 0 HB2 PHE A 550 3.900 -3.496 3.925 1.00 0.00 H new ATOM 0 HB3 PHE A 550 5.204 -4.659 4.070 1.00 0.00 H new ATOM 0 HD1 PHE A 550 5.871 -5.797 1.678 1.00 0.00 H new ATOM 0 HD2 PHE A 550 4.078 -1.928 2.196 1.00 0.00 H new ATOM 0 HE1 PHE A 550 6.752 -5.093 -0.530 1.00 0.00 H new ATOM 0 HE2 PHE A 550 4.957 -1.225 -0.015 1.00 0.00 H new ATOM 0 HZ PHE A 550 6.294 -2.810 -1.377 1.00 0.00 H new ATOM 983 N LEU A 551 3.508 -6.770 5.312 1.00 0.00 N ATOM 984 CA LEU A 551 3.902 -7.894 6.156 1.00 0.00 C ATOM 985 C LEU A 551 2.854 -9.002 6.100 1.00 0.00 C ATOM 986 O LEU A 551 3.172 -10.179 6.271 1.00 0.00 O ATOM 987 CB LEU A 551 4.070 -7.427 7.604 1.00 0.00 C ATOM 988 CG LEU A 551 5.092 -6.287 7.668 1.00 0.00 C ATOM 989 CD1 LEU A 551 4.949 -5.548 9.001 1.00 0.00 C ATOM 990 CD2 LEU A 551 6.511 -6.854 7.554 1.00 0.00 C ATOM 0 H LEU A 551 2.964 -6.051 5.789 1.00 0.00 H new ATOM 0 HA LEU A 551 4.850 -8.285 5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 551 3.112 -7.091 8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 551 4.399 -8.258 8.228 1.00 0.00 H new ATOM 0 HG LEU A 551 4.911 -5.597 6.844 1.00 0.00 H new ATOM 0 HD11 LEU A 551 5.676 -4.737 9.047 1.00 0.00 H new ATOM 0 HD12 LEU A 551 3.942 -5.138 9.084 1.00 0.00 H new ATOM 0 HD13 LEU A 551 5.127 -6.242 9.823 1.00 0.00 H new ATOM 0 HD21 LEU A 551 7.233 -6.039 7.600 1.00 0.00 H new ATOM 0 HD22 LEU A 551 6.693 -7.547 8.375 1.00 0.00 H new ATOM 0 HD23 LEU A 551 6.618 -7.380 6.605 1.00 0.00 H new ATOM 1002 N GLU A 552 1.604 -8.616 5.867 1.00 0.00 N ATOM 1003 CA GLU A 552 0.515 -9.585 5.798 1.00 0.00 C ATOM 1004 C GLU A 552 0.552 -10.350 4.478 1.00 0.00 C ATOM 1005 O GLU A 552 -0.201 -11.303 4.282 1.00 0.00 O ATOM 1006 CB GLU A 552 -0.830 -8.866 5.942 1.00 0.00 C ATOM 1007 CG GLU A 552 -1.887 -9.848 6.457 1.00 0.00 C ATOM 1008 CD GLU A 552 -1.643 -10.148 7.932 1.00 0.00 C ATOM 1009 OE1 GLU A 552 -0.675 -9.633 8.469 1.00 0.00 O ATOM 1010 OE2 GLU A 552 -2.427 -10.886 8.504 1.00 0.00 O ATOM 0 H GLU A 552 1.321 -7.647 5.724 1.00 0.00 H new ATOM 0 HA GLU A 552 0.636 -10.298 6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 552 -0.733 -8.027 6.631 1.00 0.00 H new ATOM 0 HB3 GLU A 552 -1.139 -8.455 4.981 1.00 0.00 H new ATOM 0 HG2 GLU A 552 -2.883 -9.427 6.323 1.00 0.00 H new ATOM 0 HG3 GLU A 552 -1.851 -10.771 5.878 1.00 0.00 H new ATOM 1017 N ARG A 553 1.431 -9.926 3.574 1.00 0.00 N ATOM 1018 CA ARG A 553 1.555 -10.581 2.274 1.00 0.00 C ATOM 1019 C ARG A 553 1.458 -12.098 2.421 1.00 0.00 C ATOM 1020 O ARG A 553 2.396 -12.747 2.886 1.00 0.00 O ATOM 1021 CB ARG A 553 2.893 -10.212 1.630 1.00 0.00 C ATOM 1022 CG ARG A 553 2.852 -8.754 1.167 1.00 0.00 C ATOM 1023 CD ARG A 553 4.164 -8.405 0.462 1.00 0.00 C ATOM 1024 NE ARG A 553 5.287 -8.566 1.379 1.00 0.00 N ATOM 1025 CZ ARG A 553 6.542 -8.458 0.956 1.00 0.00 C ATOM 1026 NH1 ARG A 553 6.817 -7.733 -0.094 1.00 0.00 N ATOM 1027 NH2 ARG A 553 7.499 -9.077 1.591 1.00 0.00 N ATOM 0 H ARG A 553 2.063 -9.138 3.715 1.00 0.00 H new ATOM 0 HA ARG A 553 0.738 -10.239 1.638 1.00 0.00 H new ATOM 0 HB2 ARG A 553 3.704 -10.355 2.344 1.00 0.00 H new ATOM 0 HB3 ARG A 553 3.094 -10.868 0.783 1.00 0.00 H new ATOM 0 HG2 ARG A 553 2.011 -8.600 0.491 1.00 0.00 H new ATOM 0 HG3 ARG A 553 2.699 -8.094 2.021 1.00 0.00 H new ATOM 0 HD2 ARG A 553 4.300 -9.048 -0.408 1.00 0.00 H new ATOM 0 HD3 ARG A 553 4.127 -7.379 0.097 1.00 0.00 H new ATOM 0 HE ARG A 553 5.106 -8.765 2.363 1.00 0.00 H new ATOM 0 HH11 ARG A 553 6.068 -7.249 -0.590 1.00 0.00 H new ATOM 0 HH12 ARG A 553 7.780 -7.650 -0.418 1.00 0.00 H new ATOM 0 HH21 ARG A 553 7.284 -9.643 2.412 1.00 0.00 H new ATOM 0 HH22 ARG A 553 8.463 -8.995 1.267 1.00 0.00 H new ATOM 1041 N THR A 554 0.319 -12.655 2.023 1.00 0.00 N ATOM 1042 CA THR A 554 0.108 -14.096 2.114 1.00 0.00 C ATOM 1043 C THR A 554 0.792 -14.812 0.957 1.00 0.00 C ATOM 1044 O THR A 554 1.194 -14.183 -0.021 1.00 0.00 O ATOM 1045 CB THR A 554 -1.388 -14.408 2.089 1.00 0.00 C ATOM 1046 OG1 THR A 554 -1.999 -13.712 1.013 1.00 0.00 O ATOM 1047 CG2 THR A 554 -2.018 -13.970 3.408 1.00 0.00 C ATOM 0 H THR A 554 -0.468 -12.134 1.636 1.00 0.00 H new ATOM 0 HA THR A 554 0.539 -14.446 3.052 1.00 0.00 H new ATOM 0 HB THR A 554 -1.536 -15.480 1.955 1.00 0.00 H new ATOM 0 HG1 THR A 554 -2.958 -13.913 0.996 1.00 0.00 H new ATOM 0 HG21 THR A 554 -3.085 -14.191 3.393 1.00 0.00 H new ATOM 0 HG22 THR A 554 -1.548 -14.507 4.232 1.00 0.00 H new ATOM 0 HG23 THR A 554 -1.872 -12.898 3.543 1.00 0.00 H new ATOM 1055 N ALA A 555 0.916 -16.132 1.074 1.00 0.00 N ATOM 1056 CA ALA A 555 1.550 -16.927 0.027 1.00 0.00 C ATOM 1057 C ALA A 555 1.125 -16.426 -1.348 1.00 0.00 C ATOM 1058 O ALA A 555 1.820 -16.637 -2.341 1.00 0.00 O ATOM 1059 CB ALA A 555 1.161 -18.399 0.178 1.00 0.00 C ATOM 0 H ALA A 555 0.589 -16.670 1.877 1.00 0.00 H new ATOM 0 HA ALA A 555 2.631 -16.828 0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 555 1.639 -18.984 -0.608 1.00 0.00 H new ATOM 0 HB2 ALA A 555 1.488 -18.764 1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 555 0.079 -18.499 0.098 1.00 0.00 H new ATOM 1065 N ILE A 556 -0.019 -15.753 -1.389 1.00 0.00 N ATOM 1066 CA ILE A 556 -0.539 -15.210 -2.636 1.00 0.00 C ATOM 1067 C ILE A 556 0.525 -14.334 -3.305 1.00 0.00 C ATOM 1068 O ILE A 556 0.355 -13.885 -4.438 1.00 0.00 O ATOM 1069 CB ILE A 556 -1.826 -14.405 -2.338 1.00 0.00 C ATOM 1070 CG1 ILE A 556 -3.038 -15.105 -2.967 1.00 0.00 C ATOM 1071 CG2 ILE A 556 -1.732 -12.978 -2.893 1.00 0.00 C ATOM 1072 CD1 ILE A 556 -3.355 -16.385 -2.189 1.00 0.00 C ATOM 0 H ILE A 556 -0.603 -15.571 -0.573 1.00 0.00 H new ATOM 0 HA ILE A 556 -0.786 -16.018 -3.324 1.00 0.00 H new ATOM 0 HB ILE A 556 -1.942 -14.353 -1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 556 -3.901 -14.439 -2.957 1.00 0.00 H new ATOM 0 HG13 ILE A 556 -2.831 -15.344 -4.010 1.00 0.00 H new ATOM 0 HG21 ILE A 556 -2.652 -12.438 -2.667 1.00 0.00 H new ATOM 0 HG22 ILE A 556 -0.888 -12.464 -2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 556 -1.590 -13.016 -3.973 1.00 0.00 H new ATOM 0 HD11 ILE A 556 -4.216 -16.880 -2.638 1.00 0.00 H new ATOM 0 HD12 ILE A 556 -2.495 -17.053 -2.222 1.00 0.00 H new ATOM 0 HD13 ILE A 556 -3.580 -16.134 -1.152 1.00 0.00 H new ATOM 1084 N GLU A 557 1.621 -14.098 -2.589 1.00 0.00 N ATOM 1085 CA GLU A 557 2.706 -13.274 -3.112 1.00 0.00 C ATOM 1086 C GLU A 557 3.372 -13.933 -4.319 1.00 0.00 C ATOM 1087 O GLU A 557 4.096 -13.277 -5.069 1.00 0.00 O ATOM 1088 CB GLU A 557 3.751 -13.027 -2.018 1.00 0.00 C ATOM 1089 CG GLU A 557 4.068 -14.340 -1.291 1.00 0.00 C ATOM 1090 CD GLU A 557 5.460 -14.272 -0.670 1.00 0.00 C ATOM 1091 OE1 GLU A 557 6.399 -13.997 -1.399 1.00 0.00 O ATOM 1092 OE2 GLU A 557 5.565 -14.494 0.525 1.00 0.00 O ATOM 0 H GLU A 557 1.781 -14.463 -1.650 1.00 0.00 H new ATOM 0 HA GLU A 557 2.280 -12.323 -3.433 1.00 0.00 H new ATOM 0 HB2 GLU A 557 4.660 -12.616 -2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 557 3.379 -12.289 -1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 557 3.324 -14.524 -0.516 1.00 0.00 H new ATOM 0 HG3 GLU A 557 4.013 -15.174 -1.990 1.00 0.00 H new ATOM 1099 N LEU A 558 3.135 -15.230 -4.503 1.00 0.00 N ATOM 1100 CA LEU A 558 3.735 -15.949 -5.625 1.00 0.00 C ATOM 1101 C LEU A 558 3.436 -15.245 -6.950 1.00 0.00 C ATOM 1102 O LEU A 558 3.873 -15.694 -8.011 1.00 0.00 O ATOM 1103 CB LEU A 558 3.226 -17.400 -5.664 1.00 0.00 C ATOM 1104 CG LEU A 558 1.837 -17.469 -6.310 1.00 0.00 C ATOM 1105 CD1 LEU A 558 1.303 -18.900 -6.211 1.00 0.00 C ATOM 1106 CD2 LEU A 558 0.883 -16.521 -5.579 1.00 0.00 C ATOM 0 H LEU A 558 2.541 -15.798 -3.899 1.00 0.00 H new ATOM 0 HA LEU A 558 4.816 -15.959 -5.482 1.00 0.00 H new ATOM 0 HB2 LEU A 558 3.925 -18.021 -6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 558 3.183 -17.803 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 558 1.909 -17.175 -7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 558 0.315 -18.952 -6.669 1.00 0.00 H new ATOM 0 HD12 LEU A 558 1.981 -19.578 -6.730 1.00 0.00 H new ATOM 0 HD13 LEU A 558 1.232 -19.190 -5.163 1.00 0.00 H new ATOM 0 HD21 LEU A 558 -0.104 -16.571 -6.039 1.00 0.00 H new ATOM 0 HD22 LEU A 558 0.810 -16.814 -4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 558 1.262 -15.501 -5.645 1.00 0.00 H new ATOM 1118 N LYS A 559 2.695 -14.142 -6.884 1.00 0.00 N ATOM 1119 CA LYS A 559 2.353 -13.388 -8.086 1.00 0.00 C ATOM 1120 C LYS A 559 3.516 -12.486 -8.493 1.00 0.00 C ATOM 1121 O LYS A 559 4.623 -12.613 -7.972 1.00 0.00 O ATOM 1122 CB LYS A 559 1.100 -12.539 -7.831 1.00 0.00 C ATOM 1123 CG LYS A 559 -0.159 -13.401 -8.005 1.00 0.00 C ATOM 1124 CD LYS A 559 -0.600 -13.387 -9.472 1.00 0.00 C ATOM 1125 CE LYS A 559 -1.869 -14.225 -9.630 1.00 0.00 C ATOM 1126 NZ LYS A 559 -2.241 -14.295 -11.072 1.00 0.00 N ATOM 0 H LYS A 559 2.322 -13.753 -6.018 1.00 0.00 H new ATOM 0 HA LYS A 559 2.152 -14.090 -8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 559 1.130 -12.123 -6.824 1.00 0.00 H new ATOM 0 HB3 LYS A 559 1.073 -11.697 -8.523 1.00 0.00 H new ATOM 0 HG2 LYS A 559 0.043 -14.424 -7.686 1.00 0.00 H new ATOM 0 HG3 LYS A 559 -0.961 -13.022 -7.371 1.00 0.00 H new ATOM 0 HD2 LYS A 559 -0.784 -12.363 -9.798 1.00 0.00 H new ATOM 0 HD3 LYS A 559 0.193 -13.785 -10.105 1.00 0.00 H new ATOM 0 HE2 LYS A 559 -1.707 -15.228 -9.236 1.00 0.00 H new ATOM 0 HE3 LYS A 559 -2.683 -13.784 -9.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 559 -3.104 -14.865 -11.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 559 -2.412 -13.335 -11.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 559 -1.466 -14.734 -11.609 1.00 0.00 H new ATOM 1140 N THR A 560 3.256 -11.574 -9.425 1.00 0.00 N ATOM 1141 CA THR A 560 4.291 -10.658 -9.891 1.00 0.00 C ATOM 1142 C THR A 560 3.672 -9.499 -10.668 1.00 0.00 C ATOM 1143 O THR A 560 3.744 -9.455 -11.896 1.00 0.00 O ATOM 1144 CB THR A 560 5.283 -11.402 -10.788 1.00 0.00 C ATOM 1145 OG1 THR A 560 5.772 -12.545 -10.102 1.00 0.00 O ATOM 1146 CG2 THR A 560 6.448 -10.476 -11.140 1.00 0.00 C ATOM 0 H THR A 560 2.346 -11.450 -9.869 1.00 0.00 H new ATOM 0 HA THR A 560 4.814 -10.260 -9.022 1.00 0.00 H new ATOM 0 HB THR A 560 4.783 -11.715 -11.704 1.00 0.00 H new ATOM 0 HG1 THR A 560 5.803 -12.361 -9.140 1.00 0.00 H new ATOM 0 HG21 THR A 560 7.154 -11.006 -11.779 1.00 0.00 H new ATOM 0 HG22 THR A 560 6.070 -9.600 -11.666 1.00 0.00 H new ATOM 0 HG23 THR A 560 6.951 -10.161 -10.226 1.00 0.00 H new ATOM 1154 N ASP A 561 3.067 -8.562 -9.944 1.00 0.00 N ATOM 1155 CA ASP A 561 2.440 -7.408 -10.579 1.00 0.00 C ATOM 1156 C ASP A 561 1.963 -6.408 -9.530 1.00 0.00 C ATOM 1157 O ASP A 561 2.267 -5.218 -9.610 1.00 0.00 O ATOM 1158 CB ASP A 561 1.253 -7.860 -11.431 1.00 0.00 C ATOM 1159 CG ASP A 561 0.609 -6.656 -12.110 1.00 0.00 C ATOM 1160 OD1 ASP A 561 1.074 -5.552 -11.880 1.00 0.00 O ATOM 1161 OD2 ASP A 561 -0.340 -6.856 -12.850 1.00 0.00 O ATOM 0 H ASP A 561 2.998 -8.578 -8.926 1.00 0.00 H new ATOM 0 HA ASP A 561 3.181 -6.923 -11.215 1.00 0.00 H new ATOM 0 HB2 ASP A 561 1.586 -8.576 -12.182 1.00 0.00 H new ATOM 0 HB3 ASP A 561 0.520 -8.371 -10.806 1.00 0.00 H new ATOM 1166 N TRP A 562 1.209 -6.898 -8.551 1.00 0.00 N ATOM 1167 CA TRP A 562 0.690 -6.035 -7.495 1.00 0.00 C ATOM 1168 C TRP A 562 1.832 -5.455 -6.660 1.00 0.00 C ATOM 1169 O TRP A 562 1.746 -4.328 -6.174 1.00 0.00 O ATOM 1170 CB TRP A 562 -0.275 -6.827 -6.600 1.00 0.00 C ATOM 1171 CG TRP A 562 0.458 -7.402 -5.426 1.00 0.00 C ATOM 1172 CD1 TRP A 562 0.208 -7.095 -4.132 1.00 0.00 C ATOM 1173 CD2 TRP A 562 1.548 -8.369 -5.415 1.00 0.00 C ATOM 1174 NE1 TRP A 562 1.075 -7.811 -3.328 1.00 0.00 N ATOM 1175 CE2 TRP A 562 1.921 -8.610 -4.071 1.00 0.00 C ATOM 1176 CE3 TRP A 562 2.244 -9.053 -6.428 1.00 0.00 C ATOM 1177 CZ2 TRP A 562 2.947 -9.498 -3.745 1.00 0.00 C ATOM 1178 CZ3 TRP A 562 3.276 -9.947 -6.103 1.00 0.00 C ATOM 1179 CH2 TRP A 562 3.626 -10.170 -4.764 1.00 0.00 C ATOM 0 H TRP A 562 0.945 -7.880 -8.467 1.00 0.00 H new ATOM 0 HA TRP A 562 0.151 -5.207 -7.956 1.00 0.00 H new ATOM 0 HB2 TRP A 562 -1.077 -6.176 -6.253 1.00 0.00 H new ATOM 0 HB3 TRP A 562 -0.740 -7.628 -7.175 1.00 0.00 H new ATOM 0 HD1 TRP A 562 -0.546 -6.404 -3.784 1.00 0.00 H new ATOM 0 HE1 TRP A 562 1.088 -7.756 -2.310 1.00 0.00 H new ATOM 0 HE3 TRP A 562 1.983 -8.889 -7.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 562 3.214 -9.664 -2.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 562 3.804 -10.466 -6.889 1.00 0.00 H new ATOM 0 HH2 TRP A 562 4.420 -10.861 -4.521 1.00 0.00 H new ATOM 1190 N VAL A 563 2.896 -6.235 -6.497 1.00 0.00 N ATOM 1191 CA VAL A 563 4.044 -5.787 -5.716 1.00 0.00 C ATOM 1192 C VAL A 563 4.726 -4.601 -6.390 1.00 0.00 C ATOM 1193 O VAL A 563 5.117 -3.639 -5.728 1.00 0.00 O ATOM 1194 CB VAL A 563 5.046 -6.932 -5.556 1.00 0.00 C ATOM 1195 CG1 VAL A 563 5.485 -7.426 -6.936 1.00 0.00 C ATOM 1196 CG2 VAL A 563 6.269 -6.435 -4.782 1.00 0.00 C ATOM 0 H VAL A 563 2.988 -7.171 -6.891 1.00 0.00 H new ATOM 0 HA VAL A 563 3.689 -5.474 -4.734 1.00 0.00 H new ATOM 0 HB VAL A 563 4.576 -7.750 -5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 563 6.199 -8.242 -6.820 1.00 0.00 H new ATOM 0 HG12 VAL A 563 4.615 -7.781 -7.489 1.00 0.00 H new ATOM 0 HG13 VAL A 563 5.954 -6.608 -7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 563 6.983 -7.250 -4.668 1.00 0.00 H new ATOM 0 HG22 VAL A 563 6.737 -5.616 -5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 563 5.959 -6.084 -3.798 1.00 0.00 H new ATOM 1206 N ARG A 564 4.865 -4.674 -7.710 1.00 0.00 N ATOM 1207 CA ARG A 564 5.504 -3.597 -8.460 1.00 0.00 C ATOM 1208 C ARG A 564 4.730 -2.293 -8.283 1.00 0.00 C ATOM 1209 O ARG A 564 5.319 -1.213 -8.225 1.00 0.00 O ATOM 1210 CB ARG A 564 5.575 -3.965 -9.948 1.00 0.00 C ATOM 1211 CG ARG A 564 6.831 -3.352 -10.576 1.00 0.00 C ATOM 1212 CD ARG A 564 6.926 -3.758 -12.050 1.00 0.00 C ATOM 1213 NE ARG A 564 6.126 -2.859 -12.874 1.00 0.00 N ATOM 1214 CZ ARG A 564 6.434 -2.637 -14.149 1.00 0.00 C ATOM 1215 NH1 ARG A 564 7.659 -2.335 -14.481 1.00 0.00 N ATOM 1216 NH2 ARG A 564 5.510 -2.723 -15.068 1.00 0.00 N ATOM 0 H ARG A 564 4.547 -5.459 -8.278 1.00 0.00 H new ATOM 0 HA ARG A 564 6.515 -3.458 -8.077 1.00 0.00 H new ATOM 0 HB2 ARG A 564 5.592 -5.049 -10.063 1.00 0.00 H new ATOM 0 HB3 ARG A 564 4.686 -3.603 -10.464 1.00 0.00 H new ATOM 0 HG2 ARG A 564 6.799 -2.266 -10.490 1.00 0.00 H new ATOM 0 HG3 ARG A 564 7.718 -3.688 -10.039 1.00 0.00 H new ATOM 0 HD2 ARG A 564 7.966 -3.732 -12.375 1.00 0.00 H new ATOM 0 HD3 ARG A 564 6.578 -4.783 -12.175 1.00 0.00 H new ATOM 0 HE ARG A 564 5.316 -2.392 -12.466 1.00 0.00 H new ATOM 0 HH11 ARG A 564 8.380 -2.269 -13.763 1.00 0.00 H new ATOM 0 HH12 ARG A 564 7.895 -2.165 -15.459 1.00 0.00 H new ATOM 0 HH21 ARG A 564 4.553 -2.960 -14.808 1.00 0.00 H new ATOM 0 HH22 ARG A 564 5.746 -2.553 -16.046 1.00 0.00 H new ATOM 1230 N PHE A 565 3.408 -2.401 -8.192 1.00 0.00 N ATOM 1231 CA PHE A 565 2.564 -1.224 -8.019 1.00 0.00 C ATOM 1232 C PHE A 565 2.547 -0.794 -6.554 1.00 0.00 C ATOM 1233 O PHE A 565 2.575 0.396 -6.246 1.00 0.00 O ATOM 1234 CB PHE A 565 1.135 -1.527 -8.486 1.00 0.00 C ATOM 1235 CG PHE A 565 1.027 -1.293 -9.976 1.00 0.00 C ATOM 1236 CD1 PHE A 565 0.949 0.012 -10.474 1.00 0.00 C ATOM 1237 CD2 PHE A 565 1.005 -2.381 -10.858 1.00 0.00 C ATOM 1238 CE1 PHE A 565 0.849 0.232 -11.853 1.00 0.00 C ATOM 1239 CE2 PHE A 565 0.905 -2.162 -12.237 1.00 0.00 C ATOM 1240 CZ PHE A 565 0.827 -0.856 -12.734 1.00 0.00 C ATOM 0 H PHE A 565 2.901 -3.285 -8.235 1.00 0.00 H new ATOM 0 HA PHE A 565 2.973 -0.413 -8.621 1.00 0.00 H new ATOM 0 HB2 PHE A 565 0.876 -2.559 -8.250 1.00 0.00 H new ATOM 0 HB3 PHE A 565 0.426 -0.891 -7.956 1.00 0.00 H new ATOM 0 HD1 PHE A 565 0.966 0.851 -9.794 1.00 0.00 H new ATOM 0 HD2 PHE A 565 1.065 -3.389 -10.474 1.00 0.00 H new ATOM 0 HE1 PHE A 565 0.789 1.240 -12.237 1.00 0.00 H new ATOM 0 HE2 PHE A 565 0.888 -3.001 -12.917 1.00 0.00 H new ATOM 0 HZ PHE A 565 0.750 -0.687 -13.798 1.00 0.00 H new ATOM 1250 N LEU A 566 2.503 -1.774 -5.655 1.00 0.00 N ATOM 1251 CA LEU A 566 2.485 -1.482 -4.226 1.00 0.00 C ATOM 1252 C LEU A 566 3.755 -0.741 -3.819 1.00 0.00 C ATOM 1253 O LEU A 566 3.708 0.220 -3.052 1.00 0.00 O ATOM 1254 CB LEU A 566 2.369 -2.785 -3.427 1.00 0.00 C ATOM 1255 CG LEU A 566 1.834 -2.489 -2.018 1.00 0.00 C ATOM 1256 CD1 LEU A 566 0.303 -2.476 -2.036 1.00 0.00 C ATOM 1257 CD2 LEU A 566 2.315 -3.572 -1.048 1.00 0.00 C ATOM 0 H LEU A 566 2.479 -2.767 -5.888 1.00 0.00 H new ATOM 0 HA LEU A 566 1.624 -0.850 -4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 566 1.703 -3.478 -3.940 1.00 0.00 H new ATOM 0 HB3 LEU A 566 3.343 -3.269 -3.361 1.00 0.00 H new ATOM 0 HG LEU A 566 2.203 -1.515 -1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -0.071 -2.266 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -0.046 -1.705 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -0.065 -3.448 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 566 1.935 -3.360 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 566 1.949 -4.544 -1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 566 3.405 -3.583 -1.026 1.00 0.00 H new ATOM 1269 N ALA A 567 4.890 -1.194 -4.342 1.00 0.00 N ATOM 1270 CA ALA A 567 6.168 -0.566 -4.029 1.00 0.00 C ATOM 1271 C ALA A 567 6.261 0.808 -4.683 1.00 0.00 C ATOM 1272 O ALA A 567 6.875 1.726 -4.140 1.00 0.00 O ATOM 1273 CB ALA A 567 7.318 -1.446 -4.522 1.00 0.00 C ATOM 0 H ALA A 567 4.951 -1.988 -4.980 1.00 0.00 H new ATOM 0 HA ALA A 567 6.239 -0.449 -2.948 1.00 0.00 H new ATOM 0 HB1 ALA A 567 8.269 -0.969 -4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 567 7.267 -2.419 -4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 567 7.238 -1.578 -5.601 1.00 0.00 H new ATOM 1279 N LEU A 568 5.642 0.943 -5.852 1.00 0.00 N ATOM 1280 CA LEU A 568 5.659 2.212 -6.571 1.00 0.00 C ATOM 1281 C LEU A 568 4.921 3.283 -5.775 1.00 0.00 C ATOM 1282 O LEU A 568 5.363 4.429 -5.699 1.00 0.00 O ATOM 1283 CB LEU A 568 4.996 2.044 -7.941 1.00 0.00 C ATOM 1284 CG LEU A 568 5.325 3.252 -8.831 1.00 0.00 C ATOM 1285 CD1 LEU A 568 6.653 3.017 -9.557 1.00 0.00 C ATOM 1286 CD2 LEU A 568 4.214 3.445 -9.866 1.00 0.00 C ATOM 0 H LEU A 568 5.127 0.196 -6.318 1.00 0.00 H new ATOM 0 HA LEU A 568 6.695 2.522 -6.705 1.00 0.00 H new ATOM 0 HB2 LEU A 568 5.346 1.126 -8.414 1.00 0.00 H new ATOM 0 HB3 LEU A 568 3.916 1.951 -7.824 1.00 0.00 H new ATOM 0 HG LEU A 568 5.405 4.142 -8.207 1.00 0.00 H new ATOM 0 HD11 LEU A 568 6.881 3.877 -10.187 1.00 0.00 H new ATOM 0 HD12 LEU A 568 7.449 2.882 -8.825 1.00 0.00 H new ATOM 0 HD13 LEU A 568 6.576 2.124 -10.177 1.00 0.00 H new ATOM 0 HD21 LEU A 568 4.449 4.302 -10.497 1.00 0.00 H new ATOM 0 HD22 LEU A 568 4.134 2.551 -10.484 1.00 0.00 H new ATOM 0 HD23 LEU A 568 3.267 3.619 -9.355 1.00 0.00 H new ATOM 1298 N ALA A 569 3.796 2.899 -5.180 1.00 0.00 N ATOM 1299 CA ALA A 569 3.005 3.834 -4.389 1.00 0.00 C ATOM 1300 C ALA A 569 3.766 4.256 -3.137 1.00 0.00 C ATOM 1301 O ALA A 569 3.581 5.362 -2.629 1.00 0.00 O ATOM 1302 CB ALA A 569 1.679 3.186 -3.986 1.00 0.00 C ATOM 0 H ALA A 569 3.414 1.954 -5.230 1.00 0.00 H new ATOM 0 HA ALA A 569 2.809 4.717 -4.997 1.00 0.00 H new ATOM 0 HB1 ALA A 569 1.094 3.891 -3.395 1.00 0.00 H new ATOM 0 HB2 ALA A 569 1.121 2.912 -4.881 1.00 0.00 H new ATOM 0 HB3 ALA A 569 1.876 2.292 -3.394 1.00 0.00 H new ATOM 1308 N LEU A 570 4.622 3.367 -2.642 1.00 0.00 N ATOM 1309 CA LEU A 570 5.405 3.659 -1.447 1.00 0.00 C ATOM 1310 C LEU A 570 6.474 4.706 -1.751 1.00 0.00 C ATOM 1311 O LEU A 570 6.896 5.451 -0.868 1.00 0.00 O ATOM 1312 CB LEU A 570 6.068 2.375 -0.930 1.00 0.00 C ATOM 1313 CG LEU A 570 6.287 2.473 0.588 1.00 0.00 C ATOM 1314 CD1 LEU A 570 5.037 1.982 1.324 1.00 0.00 C ATOM 1315 CD2 LEU A 570 7.481 1.604 0.993 1.00 0.00 C ATOM 0 H LEU A 570 4.790 2.446 -3.046 1.00 0.00 H new ATOM 0 HA LEU A 570 4.737 4.053 -0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 570 5.441 1.514 -1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 570 7.022 2.220 -1.434 1.00 0.00 H new ATOM 0 HG LEU A 570 6.482 3.512 0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 570 5.197 2.053 2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 570 4.183 2.598 1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 570 4.840 0.944 1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 570 7.634 1.675 2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 570 7.284 0.567 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 570 8.375 1.951 0.476 1.00 0.00 H new ATOM 1327 N GLY A 571 6.906 4.755 -3.008 1.00 0.00 N ATOM 1328 CA GLY A 571 7.926 5.714 -3.420 1.00 0.00 C ATOM 1329 C GLY A 571 7.306 7.065 -3.763 1.00 0.00 C ATOM 1330 O GLY A 571 7.944 8.106 -3.608 1.00 0.00 O ATOM 0 H GLY A 571 6.569 4.147 -3.754 1.00 0.00 H new ATOM 0 HA2 GLY A 571 8.656 5.838 -2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 571 8.464 5.327 -4.286 1.00 0.00 H new ATOM 1334 N ILE A 572 6.063 7.041 -4.234 1.00 0.00 N ATOM 1335 CA ILE A 572 5.371 8.272 -4.600 1.00 0.00 C ATOM 1336 C ILE A 572 5.001 9.076 -3.356 1.00 0.00 C ATOM 1337 O ILE A 572 4.988 10.306 -3.383 1.00 0.00 O ATOM 1338 CB ILE A 572 4.107 7.943 -5.399 1.00 0.00 C ATOM 1339 CG1 ILE A 572 4.505 7.378 -6.765 1.00 0.00 C ATOM 1340 CG2 ILE A 572 3.277 9.214 -5.598 1.00 0.00 C ATOM 1341 CD1 ILE A 572 3.269 6.812 -7.469 1.00 0.00 C ATOM 0 H ILE A 572 5.518 6.190 -4.370 1.00 0.00 H new ATOM 0 HA ILE A 572 6.041 8.873 -5.214 1.00 0.00 H new ATOM 0 HB ILE A 572 3.515 7.207 -4.854 1.00 0.00 H new ATOM 0 HG12 ILE A 572 4.957 8.160 -7.375 1.00 0.00 H new ATOM 0 HG13 ILE A 572 5.255 6.597 -6.642 1.00 0.00 H new ATOM 0 HG21 ILE A 572 2.378 8.976 -6.167 1.00 0.00 H new ATOM 0 HG22 ILE A 572 2.995 9.620 -4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 572 3.866 9.952 -6.142 1.00 0.00 H new ATOM 0 HD11 ILE A 572 3.556 6.411 -8.441 1.00 0.00 H new ATOM 0 HD12 ILE A 572 2.836 6.017 -6.862 1.00 0.00 H new ATOM 0 HD13 ILE A 572 2.534 7.605 -7.606 1.00 0.00 H new ATOM 1353 N LEU A 573 4.700 8.373 -2.269 1.00 0.00 N ATOM 1354 CA LEU A 573 4.332 9.037 -1.023 1.00 0.00 C ATOM 1355 C LEU A 573 5.485 9.899 -0.517 1.00 0.00 C ATOM 1356 O LEU A 573 5.271 10.893 0.177 1.00 0.00 O ATOM 1357 CB LEU A 573 3.961 7.987 0.039 1.00 0.00 C ATOM 1358 CG LEU A 573 2.440 7.938 0.223 1.00 0.00 C ATOM 1359 CD1 LEU A 573 1.789 7.355 -1.033 1.00 0.00 C ATOM 1360 CD2 LEU A 573 2.104 7.053 1.426 1.00 0.00 C ATOM 0 H LEU A 573 4.703 7.354 -2.225 1.00 0.00 H new ATOM 0 HA LEU A 573 3.472 9.679 -1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 573 4.330 7.007 -0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 573 4.442 8.231 0.986 1.00 0.00 H new ATOM 0 HG LEU A 573 2.062 8.946 0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 573 0.708 7.321 -0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 573 2.030 7.982 -1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 573 2.165 6.346 -1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 573 1.023 7.016 1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 573 2.483 6.046 1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 573 2.567 7.466 2.322 1.00 0.00 H new ATOM 1372 N TYR A 574 6.709 9.509 -0.866 1.00 0.00 N ATOM 1373 CA TYR A 574 7.894 10.250 -0.439 1.00 0.00 C ATOM 1374 C TYR A 574 8.661 10.779 -1.646 1.00 0.00 C ATOM 1375 O TYR A 574 9.891 10.842 -1.633 1.00 0.00 O ATOM 1376 CB TYR A 574 8.804 9.341 0.387 1.00 0.00 C ATOM 1377 CG TYR A 574 8.036 8.807 1.574 1.00 0.00 C ATOM 1378 CD1 TYR A 574 7.068 7.812 1.391 1.00 0.00 C ATOM 1379 CD2 TYR A 574 8.293 9.306 2.857 1.00 0.00 C ATOM 1380 CE1 TYR A 574 6.357 7.317 2.489 1.00 0.00 C ATOM 1381 CE2 TYR A 574 7.581 8.811 3.956 1.00 0.00 C ATOM 1382 CZ TYR A 574 6.614 7.816 3.772 1.00 0.00 C ATOM 1383 OH TYR A 574 5.913 7.327 4.856 1.00 0.00 O ATOM 0 H TYR A 574 6.906 8.689 -1.440 1.00 0.00 H new ATOM 0 HA TYR A 574 7.572 11.095 0.169 1.00 0.00 H new ATOM 0 HB2 TYR A 574 9.166 8.516 -0.227 1.00 0.00 H new ATOM 0 HB3 TYR A 574 9.679 9.895 0.726 1.00 0.00 H new ATOM 0 HD1 TYR A 574 6.870 7.427 0.402 1.00 0.00 H new ATOM 0 HD2 TYR A 574 9.040 10.073 2.999 1.00 0.00 H new ATOM 0 HE1 TYR A 574 5.610 6.550 2.347 1.00 0.00 H new ATOM 0 HE2 TYR A 574 7.778 9.197 4.945 1.00 0.00 H new ATOM 0 HH TYR A 574 6.214 7.779 5.671 1.00 0.00 H new ATOM 1393 N MET A 575 7.930 11.159 -2.688 1.00 0.00 N ATOM 1394 CA MET A 575 8.557 11.684 -3.895 1.00 0.00 C ATOM 1395 C MET A 575 9.539 12.796 -3.543 1.00 0.00 C ATOM 1396 O MET A 575 10.560 12.969 -4.208 1.00 0.00 O ATOM 1397 CB MET A 575 7.488 12.226 -4.847 1.00 0.00 C ATOM 1398 CG MET A 575 8.110 12.470 -6.224 1.00 0.00 C ATOM 1399 SD MET A 575 6.813 12.937 -7.396 1.00 0.00 S ATOM 1400 CE MET A 575 7.853 12.994 -8.876 1.00 0.00 C ATOM 0 H MET A 575 6.912 11.114 -2.722 1.00 0.00 H new ATOM 0 HA MET A 575 9.099 10.875 -4.384 1.00 0.00 H new ATOM 0 HB2 MET A 575 6.664 11.517 -4.928 1.00 0.00 H new ATOM 0 HB3 MET A 575 7.072 13.154 -4.454 1.00 0.00 H new ATOM 0 HG2 MET A 575 8.860 13.258 -6.162 1.00 0.00 H new ATOM 0 HG3 MET A 575 8.621 11.571 -6.569 1.00 0.00 H new ATOM 0 HE1 MET A 575 7.245 13.269 -9.738 1.00 0.00 H new ATOM 0 HE2 MET A 575 8.642 13.733 -8.738 1.00 0.00 H new ATOM 0 HE3 MET A 575 8.300 12.014 -9.045 1.00 0.00 H new ATOM 1410 N GLY A 576 9.222 13.545 -2.491 1.00 0.00 N ATOM 1411 CA GLY A 576 10.081 14.640 -2.054 1.00 0.00 C ATOM 1412 C GLY A 576 11.098 14.156 -1.024 1.00 0.00 C ATOM 1413 O GLY A 576 11.576 14.933 -0.197 1.00 0.00 O ATOM 0 H GLY A 576 8.381 13.415 -1.928 1.00 0.00 H new ATOM 0 HA2 GLY A 576 10.601 15.065 -2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 576 9.473 15.436 -1.624 1.00 0.00 H new ATOM 1417 N GLN A 577 11.421 12.868 -1.079 1.00 0.00 N ATOM 1418 CA GLN A 577 12.379 12.287 -0.144 1.00 0.00 C ATOM 1419 C GLN A 577 11.991 12.613 1.296 1.00 0.00 C ATOM 1420 O GLN A 577 11.039 13.355 1.540 1.00 0.00 O ATOM 1421 CB GLN A 577 13.788 12.819 -0.425 1.00 0.00 C ATOM 1422 CG GLN A 577 14.073 12.778 -1.934 1.00 0.00 C ATOM 1423 CD GLN A 577 13.693 14.106 -2.580 1.00 0.00 C ATOM 1424 OE1 GLN A 577 12.694 14.187 -3.292 1.00 0.00 O ATOM 1425 NE2 GLN A 577 14.438 15.159 -2.375 1.00 0.00 N ATOM 0 H GLN A 577 11.036 12.210 -1.757 1.00 0.00 H new ATOM 0 HA GLN A 577 12.369 11.205 -0.278 1.00 0.00 H new ATOM 0 HB2 GLN A 577 13.880 13.841 -0.057 1.00 0.00 H new ATOM 0 HB3 GLN A 577 14.525 12.220 0.109 1.00 0.00 H new ATOM 0 HG2 GLN A 577 15.129 12.571 -2.106 1.00 0.00 H new ATOM 0 HG3 GLN A 577 13.510 11.967 -2.396 1.00 0.00 H new ATOM 0 HE21 GLN A 577 15.267 15.090 -1.784 1.00 0.00 H new ATOM 0 HE22 GLN A 577 14.191 16.050 -2.806 1.00 0.00 H new ATOM 1434 N GLY A 578 12.736 12.054 2.245 1.00 0.00 N ATOM 1435 CA GLY A 578 12.464 12.290 3.658 1.00 0.00 C ATOM 1436 C GLY A 578 13.219 11.292 4.530 1.00 0.00 C ATOM 1437 O GLY A 578 13.271 10.102 4.223 1.00 0.00 O ATOM 0 H GLY A 578 13.528 11.438 2.062 1.00 0.00 H new ATOM 0 HA2 GLY A 578 12.756 13.306 3.924 1.00 0.00 H new ATOM 0 HA3 GLY A 578 11.394 12.206 3.846 1.00 0.00 H new ATOM 1441 N GLU A 579 13.803 11.785 5.619 1.00 0.00 N ATOM 1442 CA GLU A 579 14.554 10.924 6.525 1.00 0.00 C ATOM 1443 C GLU A 579 13.719 9.712 6.928 1.00 0.00 C ATOM 1444 O GLU A 579 14.260 8.661 7.277 1.00 0.00 O ATOM 1445 CB GLU A 579 14.960 11.708 7.776 1.00 0.00 C ATOM 1446 CG GLU A 579 16.125 11.000 8.472 1.00 0.00 C ATOM 1447 CD GLU A 579 17.428 11.287 7.732 1.00 0.00 C ATOM 1448 OE1 GLU A 579 17.866 12.425 7.766 1.00 0.00 O ATOM 1449 OE2 GLU A 579 17.969 10.364 7.146 1.00 0.00 O ATOM 0 H GLU A 579 13.771 12.767 5.893 1.00 0.00 H new ATOM 0 HA GLU A 579 15.449 10.578 6.009 1.00 0.00 H new ATOM 0 HB2 GLU A 579 15.249 12.723 7.503 1.00 0.00 H new ATOM 0 HB3 GLU A 579 14.113 11.790 8.457 1.00 0.00 H new ATOM 0 HG2 GLU A 579 16.202 11.339 9.505 1.00 0.00 H new ATOM 0 HG3 GLU A 579 15.943 9.926 8.501 1.00 0.00 H new ATOM 1456 N GLN A 580 12.400 9.863 6.877 1.00 0.00 N ATOM 1457 CA GLN A 580 11.503 8.771 7.239 1.00 0.00 C ATOM 1458 C GLN A 580 11.805 7.533 6.402 1.00 0.00 C ATOM 1459 O GLN A 580 11.866 6.420 6.922 1.00 0.00 O ATOM 1460 CB GLN A 580 10.048 9.194 7.022 1.00 0.00 C ATOM 1461 CG GLN A 580 9.680 10.297 8.015 1.00 0.00 C ATOM 1462 CD GLN A 580 8.169 10.500 8.031 1.00 0.00 C ATOM 1463 OE1 GLN A 580 7.605 11.055 7.088 1.00 0.00 O ATOM 1464 NE2 GLN A 580 7.475 10.081 9.054 1.00 0.00 N ATOM 0 H GLN A 580 11.931 10.723 6.591 1.00 0.00 H new ATOM 0 HA GLN A 580 11.657 8.532 8.291 1.00 0.00 H new ATOM 0 HB2 GLN A 580 9.911 9.550 6.001 1.00 0.00 H new ATOM 0 HB3 GLN A 580 9.387 8.338 7.153 1.00 0.00 H new ATOM 0 HG2 GLN A 580 10.030 10.032 9.012 1.00 0.00 H new ATOM 0 HG3 GLN A 580 10.177 11.227 7.739 1.00 0.00 H new ATOM 0 HE21 GLN A 580 7.944 9.621 9.835 1.00 0.00 H new ATOM 0 HE22 GLN A 580 6.464 10.213 9.073 1.00 0.00 H new ATOM 1473 N VAL A 581 11.994 7.736 5.103 1.00 0.00 N ATOM 1474 CA VAL A 581 12.291 6.626 4.205 1.00 0.00 C ATOM 1475 C VAL A 581 13.396 5.751 4.788 1.00 0.00 C ATOM 1476 O VAL A 581 13.326 4.523 4.727 1.00 0.00 O ATOM 1477 CB VAL A 581 12.726 7.159 2.839 1.00 0.00 C ATOM 1478 CG1 VAL A 581 13.113 5.987 1.935 1.00 0.00 C ATOM 1479 CG2 VAL A 581 11.567 7.930 2.202 1.00 0.00 C ATOM 0 H VAL A 581 11.948 8.649 4.651 1.00 0.00 H new ATOM 0 HA VAL A 581 11.389 6.026 4.088 1.00 0.00 H new ATOM 0 HB VAL A 581 13.582 7.822 2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 581 13.423 6.366 0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 581 13.936 5.434 2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 581 12.256 5.325 1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 581 11.875 8.311 1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 581 10.712 7.265 2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 581 11.287 8.764 2.846 1.00 0.00 H new ATOM 1489 N ASP A 582 14.413 6.389 5.356 1.00 0.00 N ATOM 1490 CA ASP A 582 15.525 5.657 5.950 1.00 0.00 C ATOM 1491 C ASP A 582 15.052 4.863 7.164 1.00 0.00 C ATOM 1492 O ASP A 582 15.566 3.781 7.447 1.00 0.00 O ATOM 1493 CB ASP A 582 16.628 6.629 6.370 1.00 0.00 C ATOM 1494 CG ASP A 582 17.875 5.856 6.784 1.00 0.00 C ATOM 1495 OD1 ASP A 582 17.739 4.697 7.139 1.00 0.00 O ATOM 1496 OD2 ASP A 582 18.949 6.435 6.741 1.00 0.00 O ATOM 0 H ASP A 582 14.491 7.404 5.418 1.00 0.00 H new ATOM 0 HA ASP A 582 15.919 4.964 5.206 1.00 0.00 H new ATOM 0 HB2 ASP A 582 16.864 7.302 5.546 1.00 0.00 H new ATOM 0 HB3 ASP A 582 16.282 7.248 7.198 1.00 0.00 H new ATOM 1501 N ASP A 583 14.071 5.408 7.874 1.00 0.00 N ATOM 1502 CA ASP A 583 13.536 4.742 9.057 1.00 0.00 C ATOM 1503 C ASP A 583 12.692 3.535 8.655 1.00 0.00 C ATOM 1504 O ASP A 583 12.817 2.458 9.235 1.00 0.00 O ATOM 1505 CB ASP A 583 12.679 5.720 9.865 1.00 0.00 C ATOM 1506 CG ASP A 583 12.078 5.010 11.073 1.00 0.00 C ATOM 1507 OD1 ASP A 583 12.493 3.895 11.347 1.00 0.00 O ATOM 1508 OD2 ASP A 583 11.212 5.589 11.705 1.00 0.00 O ATOM 0 H ASP A 583 13.632 6.302 7.654 1.00 0.00 H new ATOM 0 HA ASP A 583 14.371 4.401 9.669 1.00 0.00 H new ATOM 0 HB2 ASP A 583 13.286 6.563 10.193 1.00 0.00 H new ATOM 0 HB3 ASP A 583 11.885 6.124 9.238 1.00 0.00 H new ATOM 1513 N VAL A 584 11.833 3.724 7.659 1.00 0.00 N ATOM 1514 CA VAL A 584 10.973 2.643 7.188 1.00 0.00 C ATOM 1515 C VAL A 584 11.811 1.453 6.729 1.00 0.00 C ATOM 1516 O VAL A 584 11.702 0.357 7.279 1.00 0.00 O ATOM 1517 CB VAL A 584 10.102 3.135 6.030 1.00 0.00 C ATOM 1518 CG1 VAL A 584 9.194 2.000 5.555 1.00 0.00 C ATOM 1519 CG2 VAL A 584 9.243 4.309 6.503 1.00 0.00 C ATOM 0 H VAL A 584 11.714 4.608 7.165 1.00 0.00 H new ATOM 0 HA VAL A 584 10.334 2.326 8.012 1.00 0.00 H new ATOM 0 HB VAL A 584 10.740 3.458 5.207 1.00 0.00 H new ATOM 0 HG11 VAL A 584 8.574 2.351 4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 584 9.805 1.162 5.219 1.00 0.00 H new ATOM 0 HG13 VAL A 584 8.555 1.677 6.377 1.00 0.00 H new ATOM 0 HG21 VAL A 584 8.622 4.661 5.679 1.00 0.00 H new ATOM 0 HG22 VAL A 584 8.605 3.985 7.326 1.00 0.00 H new ATOM 0 HG23 VAL A 584 9.889 5.119 6.842 1.00 0.00 H new ATOM 1529 N LEU A 585 12.647 1.677 5.721 1.00 0.00 N ATOM 1530 CA LEU A 585 13.499 0.614 5.199 1.00 0.00 C ATOM 1531 C LEU A 585 14.242 -0.079 6.337 1.00 0.00 C ATOM 1532 O LEU A 585 14.338 -1.305 6.373 1.00 0.00 O ATOM 1533 CB LEU A 585 14.507 1.196 4.197 1.00 0.00 C ATOM 1534 CG LEU A 585 13.930 1.129 2.780 1.00 0.00 C ATOM 1535 CD1 LEU A 585 12.658 1.973 2.703 1.00 0.00 C ATOM 1536 CD2 LEU A 585 14.961 1.670 1.787 1.00 0.00 C ATOM 0 H LEU A 585 12.753 2.577 5.252 1.00 0.00 H new ATOM 0 HA LEU A 585 12.871 -0.119 4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 585 14.737 2.229 4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 585 15.443 0.640 4.245 1.00 0.00 H new ATOM 0 HG LEU A 585 13.692 0.094 2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 585 12.249 1.924 1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 585 11.923 1.589 3.411 1.00 0.00 H new ATOM 0 HD13 LEU A 585 12.893 3.009 2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 585 14.553 1.624 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 585 15.198 2.705 2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 585 15.868 1.068 1.840 1.00 0.00 H new ATOM 1548 N GLU A 586 14.767 0.714 7.265 1.00 0.00 N ATOM 1549 CA GLU A 586 15.500 0.164 8.399 1.00 0.00 C ATOM 1550 C GLU A 586 14.669 -0.897 9.111 1.00 0.00 C ATOM 1551 O GLU A 586 15.209 -1.857 9.661 1.00 0.00 O ATOM 1552 CB GLU A 586 15.862 1.284 9.380 1.00 0.00 C ATOM 1553 CG GLU A 586 16.717 0.720 10.519 1.00 0.00 C ATOM 1554 CD GLU A 586 15.831 0.021 11.548 1.00 0.00 C ATOM 1555 OE1 GLU A 586 14.717 0.475 11.748 1.00 0.00 O ATOM 1556 OE2 GLU A 586 16.283 -0.955 12.122 1.00 0.00 O ATOM 0 H GLU A 586 14.700 1.732 7.255 1.00 0.00 H new ATOM 0 HA GLU A 586 16.414 -0.300 8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 586 16.406 2.073 8.861 1.00 0.00 H new ATOM 0 HB3 GLU A 586 14.955 1.734 9.783 1.00 0.00 H new ATOM 0 HG2 GLU A 586 17.448 0.017 10.121 1.00 0.00 H new ATOM 0 HG3 GLU A 586 17.276 1.525 10.997 1.00 0.00 H new ATOM 1563 N THR A 587 13.351 -0.721 9.097 1.00 0.00 N ATOM 1564 CA THR A 587 12.456 -1.674 9.744 1.00 0.00 C ATOM 1565 C THR A 587 12.407 -2.977 8.955 1.00 0.00 C ATOM 1566 O THR A 587 12.392 -4.065 9.534 1.00 0.00 O ATOM 1567 CB THR A 587 11.046 -1.084 9.844 1.00 0.00 C ATOM 1568 OG1 THR A 587 11.122 0.229 10.380 1.00 0.00 O ATOM 1569 CG2 THR A 587 10.189 -1.962 10.757 1.00 0.00 C ATOM 0 H THR A 587 12.882 0.066 8.649 1.00 0.00 H new ATOM 0 HA THR A 587 12.835 -1.879 10.745 1.00 0.00 H new ATOM 0 HB THR A 587 10.595 -1.046 8.852 1.00 0.00 H new ATOM 0 HG1 THR A 587 11.446 0.846 9.690 1.00 0.00 H new ATOM 0 HG21 THR A 587 9.186 -1.542 10.828 1.00 0.00 H new ATOM 0 HG22 THR A 587 10.132 -2.969 10.345 1.00 0.00 H new ATOM 0 HG23 THR A 587 10.637 -2.001 11.750 1.00 0.00 H new ATOM 1577 N ILE A 588 12.384 -2.860 7.632 1.00 0.00 N ATOM 1578 CA ILE A 588 12.338 -4.037 6.770 1.00 0.00 C ATOM 1579 C ILE A 588 13.568 -4.911 6.992 1.00 0.00 C ATOM 1580 O ILE A 588 13.467 -6.134 7.069 1.00 0.00 O ATOM 1581 CB ILE A 588 12.271 -3.605 5.304 1.00 0.00 C ATOM 1582 CG1 ILE A 588 11.143 -2.587 5.125 1.00 0.00 C ATOM 1583 CG2 ILE A 588 12.000 -4.826 4.423 1.00 0.00 C ATOM 1584 CD1 ILE A 588 11.111 -2.109 3.672 1.00 0.00 C ATOM 0 H ILE A 588 12.396 -1.969 7.135 1.00 0.00 H new ATOM 0 HA ILE A 588 11.448 -4.615 7.019 1.00 0.00 H new ATOM 0 HB ILE A 588 13.220 -3.153 5.015 1.00 0.00 H new ATOM 0 HG12 ILE A 588 10.187 -3.037 5.392 1.00 0.00 H new ATOM 0 HG13 ILE A 588 11.294 -1.740 5.794 1.00 0.00 H new ATOM 0 HG21 ILE A 588 11.952 -4.518 3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 588 12.803 -5.552 4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 588 11.052 -5.279 4.711 1.00 0.00 H new ATOM 0 HD11 ILE A 588 10.307 -1.384 3.545 1.00 0.00 H new ATOM 0 HD12 ILE A 588 12.064 -1.642 3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 588 10.939 -2.960 3.013 1.00 0.00 H new ATOM 1596 N SER A 589 14.729 -4.272 7.093 1.00 0.00 N ATOM 1597 CA SER A 589 15.975 -5.002 7.307 1.00 0.00 C ATOM 1598 C SER A 589 15.952 -5.716 8.654 1.00 0.00 C ATOM 1599 O SER A 589 16.566 -6.770 8.819 1.00 0.00 O ATOM 1600 CB SER A 589 17.159 -4.037 7.258 1.00 0.00 C ATOM 1601 OG SER A 589 18.369 -4.772 7.379 1.00 0.00 O ATOM 0 H SER A 589 14.834 -3.259 7.031 1.00 0.00 H new ATOM 0 HA SER A 589 16.080 -5.745 6.517 1.00 0.00 H new ATOM 0 HB2 SER A 589 17.150 -3.480 6.321 1.00 0.00 H new ATOM 0 HB3 SER A 589 17.081 -3.307 8.064 1.00 0.00 H new ATOM 0 HG SER A 589 19.131 -4.156 7.346 1.00 0.00 H new ATOM 1607 N ALA A 590 15.239 -5.135 9.614 1.00 0.00 N ATOM 1608 CA ALA A 590 15.142 -5.726 10.944 1.00 0.00 C ATOM 1609 C ALA A 590 14.459 -7.087 10.875 1.00 0.00 C ATOM 1610 O ALA A 590 14.904 -8.050 11.501 1.00 0.00 O ATOM 1611 CB ALA A 590 14.349 -4.802 11.869 1.00 0.00 C ATOM 0 H ALA A 590 14.724 -4.262 9.497 1.00 0.00 H new ATOM 0 HA ALA A 590 16.150 -5.857 11.338 1.00 0.00 H new ATOM 0 HB1 ALA A 590 14.281 -5.250 12.860 1.00 0.00 H new ATOM 0 HB2 ALA A 590 14.854 -3.838 11.940 1.00 0.00 H new ATOM 0 HB3 ALA A 590 13.346 -4.658 11.467 1.00 0.00 H new ATOM 1617 N ILE A 591 13.375 -7.161 10.109 1.00 0.00 N ATOM 1618 CA ILE A 591 12.632 -8.409 9.960 1.00 0.00 C ATOM 1619 C ILE A 591 13.023 -9.116 8.666 1.00 0.00 C ATOM 1620 O ILE A 591 12.919 -8.545 7.581 1.00 0.00 O ATOM 1621 CB ILE A 591 11.129 -8.119 9.950 1.00 0.00 C ATOM 1622 CG1 ILE A 591 10.732 -7.432 11.260 1.00 0.00 C ATOM 1623 CG2 ILE A 591 10.356 -9.431 9.808 1.00 0.00 C ATOM 1624 CD1 ILE A 591 9.365 -6.766 11.094 1.00 0.00 C ATOM 0 H ILE A 591 12.992 -6.375 9.583 1.00 0.00 H new ATOM 0 HA ILE A 591 12.874 -9.058 10.801 1.00 0.00 H new ATOM 0 HB ILE A 591 10.892 -7.465 9.111 1.00 0.00 H new ATOM 0 HG12 ILE A 591 10.697 -8.161 12.069 1.00 0.00 H new ATOM 0 HG13 ILE A 591 11.480 -6.688 11.534 1.00 0.00 H new ATOM 0 HG21 ILE A 591 9.286 -9.224 9.801 1.00 0.00 H new ATOM 0 HG22 ILE A 591 10.637 -9.920 8.875 1.00 0.00 H new ATOM 0 HG23 ILE A 591 10.593 -10.086 10.647 1.00 0.00 H new ATOM 0 HD11 ILE A 591 9.083 -6.277 12.026 1.00 0.00 H new ATOM 0 HD12 ILE A 591 9.416 -6.025 10.297 1.00 0.00 H new ATOM 0 HD13 ILE A 591 8.621 -7.521 10.840 1.00 0.00 H new ATOM 1636 N GLU A 592 13.473 -10.360 8.789 1.00 0.00 N ATOM 1637 CA GLU A 592 13.876 -11.135 7.620 1.00 0.00 C ATOM 1638 C GLU A 592 12.688 -11.350 6.687 1.00 0.00 C ATOM 1639 O GLU A 592 11.620 -11.785 7.119 1.00 0.00 O ATOM 1640 CB GLU A 592 14.440 -12.490 8.062 1.00 0.00 C ATOM 1641 CG GLU A 592 15.300 -13.083 6.943 1.00 0.00 C ATOM 1642 CD GLU A 592 14.433 -13.407 5.731 1.00 0.00 C ATOM 1643 OE1 GLU A 592 13.546 -14.234 5.866 1.00 0.00 O ATOM 1644 OE2 GLU A 592 14.668 -12.822 4.687 1.00 0.00 O ATOM 0 H GLU A 592 13.568 -10.851 9.678 1.00 0.00 H new ATOM 0 HA GLU A 592 14.647 -10.581 7.084 1.00 0.00 H new ATOM 0 HB2 GLU A 592 15.036 -12.369 8.966 1.00 0.00 H new ATOM 0 HB3 GLU A 592 13.625 -13.171 8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 592 16.082 -12.378 6.662 1.00 0.00 H new ATOM 0 HG3 GLU A 592 15.797 -13.986 7.296 1.00 0.00 H new ATOM 1651 N HIS A 593 12.880 -11.043 5.407 1.00 0.00 N ATOM 1652 CA HIS A 593 11.816 -11.205 4.419 1.00 0.00 C ATOM 1653 C HIS A 593 12.371 -11.825 3.136 1.00 0.00 C ATOM 1654 O HIS A 593 13.571 -11.754 2.874 1.00 0.00 O ATOM 1655 CB HIS A 593 11.189 -9.838 4.108 1.00 0.00 C ATOM 1656 CG HIS A 593 9.917 -9.667 4.894 1.00 0.00 C ATOM 1657 ND1 HIS A 593 9.724 -10.268 6.128 1.00 0.00 N ATOM 1658 CD2 HIS A 593 8.765 -8.966 4.635 1.00 0.00 C ATOM 1659 CE1 HIS A 593 8.497 -9.922 6.560 1.00 0.00 C ATOM 1660 NE2 HIS A 593 7.870 -9.129 5.687 1.00 0.00 N ATOM 0 H HIS A 593 13.757 -10.683 5.031 1.00 0.00 H new ATOM 0 HA HIS A 593 11.054 -11.869 4.826 1.00 0.00 H new ATOM 0 HB2 HIS A 593 11.890 -9.041 4.357 1.00 0.00 H new ATOM 0 HB3 HIS A 593 10.981 -9.758 3.041 1.00 0.00 H new ATOM 0 HD1 HIS A 593 10.390 -10.864 6.619 1.00 0.00 H new ATOM 0 HD2 HIS A 593 8.582 -8.377 3.748 1.00 0.00 H new ATOM 0 HE1 HIS A 593 8.071 -10.246 7.498 1.00 0.00 H new ATOM 1668 N PRO A 594 11.520 -12.428 2.342 1.00 0.00 N ATOM 1669 CA PRO A 594 11.924 -13.072 1.060 1.00 0.00 C ATOM 1670 C PRO A 594 12.819 -12.166 0.212 1.00 0.00 C ATOM 1671 O PRO A 594 13.415 -11.215 0.713 1.00 0.00 O ATOM 1672 CB PRO A 594 10.596 -13.358 0.330 1.00 0.00 C ATOM 1673 CG PRO A 594 9.488 -12.855 1.212 1.00 0.00 C ATOM 1674 CD PRO A 594 10.082 -12.568 2.591 1.00 0.00 C ATOM 0 HA PRO A 594 12.511 -13.972 1.240 1.00 0.00 H new ATOM 0 HB2 PRO A 594 10.574 -12.858 -0.639 1.00 0.00 H new ATOM 0 HB3 PRO A 594 10.483 -14.425 0.141 1.00 0.00 H new ATOM 0 HG2 PRO A 594 9.045 -11.952 0.791 1.00 0.00 H new ATOM 0 HG3 PRO A 594 8.692 -13.596 1.286 1.00 0.00 H new ATOM 0 HD2 PRO A 594 9.663 -11.660 3.024 1.00 0.00 H new ATOM 0 HD3 PRO A 594 9.876 -13.379 3.290 1.00 0.00 H new ATOM 1682 N MET A 595 12.900 -12.470 -1.079 1.00 0.00 N ATOM 1683 CA MET A 595 13.720 -11.681 -1.994 1.00 0.00 C ATOM 1684 C MET A 595 13.318 -10.211 -1.951 1.00 0.00 C ATOM 1685 O MET A 595 13.893 -9.380 -2.653 1.00 0.00 O ATOM 1686 CB MET A 595 13.569 -12.213 -3.421 1.00 0.00 C ATOM 1687 CG MET A 595 12.107 -12.101 -3.858 1.00 0.00 C ATOM 1688 SD MET A 595 11.870 -13.009 -5.406 1.00 0.00 S ATOM 1689 CE MET A 595 10.452 -12.061 -6.012 1.00 0.00 C ATOM 0 H MET A 595 12.411 -13.252 -1.514 1.00 0.00 H new ATOM 0 HA MET A 595 14.761 -11.767 -1.681 1.00 0.00 H new ATOM 0 HB2 MET A 595 14.207 -11.647 -4.100 1.00 0.00 H new ATOM 0 HB3 MET A 595 13.895 -13.252 -3.469 1.00 0.00 H new ATOM 0 HG2 MET A 595 11.453 -12.503 -3.084 1.00 0.00 H new ATOM 0 HG3 MET A 595 11.836 -11.054 -3.993 1.00 0.00 H new ATOM 0 HE1 MET A 595 10.134 -12.458 -6.976 1.00 0.00 H new ATOM 0 HE2 MET A 595 9.631 -12.138 -5.299 1.00 0.00 H new ATOM 0 HE3 MET A 595 10.736 -11.015 -6.127 1.00 0.00 H new ATOM 1699 N THR A 596 12.327 -9.893 -1.123 1.00 0.00 N ATOM 1700 CA THR A 596 11.857 -8.519 -0.996 1.00 0.00 C ATOM 1701 C THR A 596 13.035 -7.550 -0.954 1.00 0.00 C ATOM 1702 O THR A 596 12.897 -6.373 -1.286 1.00 0.00 O ATOM 1703 CB THR A 596 11.025 -8.369 0.280 1.00 0.00 C ATOM 1704 OG1 THR A 596 10.110 -9.452 0.374 1.00 0.00 O ATOM 1705 CG2 THR A 596 10.254 -7.050 0.239 1.00 0.00 C ATOM 0 H THR A 596 11.837 -10.565 -0.533 1.00 0.00 H new ATOM 0 HA THR A 596 11.240 -8.284 -1.863 1.00 0.00 H new ATOM 0 HB THR A 596 11.685 -8.372 1.147 1.00 0.00 H new ATOM 0 HG1 THR A 596 9.428 -9.365 -0.324 1.00 0.00 H new ATOM 0 HG21 THR A 596 9.663 -6.946 1.149 1.00 0.00 H new ATOM 0 HG22 THR A 596 10.957 -6.220 0.166 1.00 0.00 H new ATOM 0 HG23 THR A 596 9.592 -7.042 -0.627 1.00 0.00 H new ATOM 1713 N SER A 597 14.195 -8.054 -0.544 1.00 0.00 N ATOM 1714 CA SER A 597 15.392 -7.227 -0.463 1.00 0.00 C ATOM 1715 C SER A 597 15.560 -6.405 -1.736 1.00 0.00 C ATOM 1716 O SER A 597 16.101 -5.298 -1.706 1.00 0.00 O ATOM 1717 CB SER A 597 16.622 -8.109 -0.256 1.00 0.00 C ATOM 1718 OG SER A 597 16.419 -8.939 0.880 1.00 0.00 O ATOM 0 H SER A 597 14.330 -9.026 -0.264 1.00 0.00 H new ATOM 0 HA SER A 597 15.287 -6.548 0.383 1.00 0.00 H new ATOM 0 HB2 SER A 597 16.798 -8.721 -1.141 1.00 0.00 H new ATOM 0 HB3 SER A 597 17.508 -7.490 -0.115 1.00 0.00 H new ATOM 0 HG SER A 597 17.206 -9.508 1.015 1.00 0.00 H new ATOM 1724 N ALA A 598 15.091 -6.950 -2.853 1.00 0.00 N ATOM 1725 CA ALA A 598 15.194 -6.258 -4.132 1.00 0.00 C ATOM 1726 C ALA A 598 14.526 -4.890 -4.054 1.00 0.00 C ATOM 1727 O ALA A 598 15.087 -3.887 -4.495 1.00 0.00 O ATOM 1728 CB ALA A 598 14.529 -7.088 -5.232 1.00 0.00 C ATOM 0 H ALA A 598 14.639 -7.863 -2.899 1.00 0.00 H new ATOM 0 HA ALA A 598 16.250 -6.124 -4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 598 14.611 -6.563 -6.184 1.00 0.00 H new ATOM 0 HB2 ALA A 598 15.025 -8.056 -5.308 1.00 0.00 H new ATOM 0 HB3 ALA A 598 13.477 -7.237 -4.989 1.00 0.00 H new ATOM 1734 N ILE A 599 13.323 -4.856 -3.489 1.00 0.00 N ATOM 1735 CA ILE A 599 12.587 -3.605 -3.358 1.00 0.00 C ATOM 1736 C ILE A 599 13.318 -2.652 -2.417 1.00 0.00 C ATOM 1737 O ILE A 599 13.397 -1.451 -2.675 1.00 0.00 O ATOM 1738 CB ILE A 599 11.182 -3.879 -2.819 1.00 0.00 C ATOM 1739 CG1 ILE A 599 10.565 -5.055 -3.580 1.00 0.00 C ATOM 1740 CG2 ILE A 599 10.311 -2.635 -3.010 1.00 0.00 C ATOM 1741 CD1 ILE A 599 9.140 -5.295 -3.080 1.00 0.00 C ATOM 0 H ILE A 599 12.841 -5.674 -3.117 1.00 0.00 H new ATOM 0 HA ILE A 599 12.514 -3.143 -4.342 1.00 0.00 H new ATOM 0 HB ILE A 599 11.240 -4.122 -1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 599 10.556 -4.845 -4.650 1.00 0.00 H new ATOM 0 HG13 ILE A 599 11.168 -5.952 -3.436 1.00 0.00 H new ATOM 0 HG21 ILE A 599 9.310 -2.830 -2.626 1.00 0.00 H new ATOM 0 HG22 ILE A 599 10.750 -1.797 -2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 599 10.252 -2.392 -4.071 1.00 0.00 H new ATOM 0 HD11 ILE A 599 8.700 -6.132 -3.622 1.00 0.00 H new ATOM 0 HD12 ILE A 599 9.162 -5.524 -2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 599 8.540 -4.400 -3.247 1.00 0.00 H new ATOM 1753 N GLU A 600 13.850 -3.197 -1.328 1.00 0.00 N ATOM 1754 CA GLU A 600 14.572 -2.384 -0.356 1.00 0.00 C ATOM 1755 C GLU A 600 15.649 -1.555 -1.046 1.00 0.00 C ATOM 1756 O GLU A 600 15.849 -0.385 -0.721 1.00 0.00 O ATOM 1757 CB GLU A 600 15.217 -3.283 0.701 1.00 0.00 C ATOM 1758 CG GLU A 600 15.962 -2.417 1.721 1.00 0.00 C ATOM 1759 CD GLU A 600 16.409 -3.270 2.902 1.00 0.00 C ATOM 1760 OE1 GLU A 600 17.494 -3.824 2.831 1.00 0.00 O ATOM 1761 OE2 GLU A 600 15.662 -3.356 3.863 1.00 0.00 O ATOM 0 H GLU A 600 13.796 -4.189 -1.097 1.00 0.00 H new ATOM 0 HA GLU A 600 13.862 -1.710 0.124 1.00 0.00 H new ATOM 0 HB2 GLU A 600 14.454 -3.879 1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 600 15.907 -3.982 0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 600 16.828 -1.950 1.251 1.00 0.00 H new ATOM 0 HG3 GLU A 600 15.315 -1.611 2.068 1.00 0.00 H new ATOM 1768 N VAL A 601 16.339 -2.168 -2.002 1.00 0.00 N ATOM 1769 CA VAL A 601 17.394 -1.475 -2.732 1.00 0.00 C ATOM 1770 C VAL A 601 16.798 -0.422 -3.661 1.00 0.00 C ATOM 1771 O VAL A 601 17.393 0.631 -3.884 1.00 0.00 O ATOM 1772 CB VAL A 601 18.211 -2.477 -3.548 1.00 0.00 C ATOM 1773 CG1 VAL A 601 19.311 -1.737 -4.311 1.00 0.00 C ATOM 1774 CG2 VAL A 601 18.847 -3.503 -2.607 1.00 0.00 C ATOM 0 H VAL A 601 16.188 -3.136 -2.288 1.00 0.00 H new ATOM 0 HA VAL A 601 18.045 -0.981 -2.011 1.00 0.00 H new ATOM 0 HB VAL A 601 17.557 -2.987 -4.255 1.00 0.00 H new ATOM 0 HG11 VAL A 601 19.894 -2.451 -4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 601 18.860 -1.005 -4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 601 19.964 -1.227 -3.603 1.00 0.00 H new ATOM 0 HG21 VAL A 601 19.430 -4.218 -3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 601 19.500 -2.992 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 601 18.065 -4.031 -2.062 1.00 0.00 H new ATOM 1784 N LEU A 602 15.618 -0.715 -4.200 1.00 0.00 N ATOM 1785 CA LEU A 602 14.950 0.214 -5.104 1.00 0.00 C ATOM 1786 C LEU A 602 14.613 1.513 -4.376 1.00 0.00 C ATOM 1787 O LEU A 602 15.181 2.565 -4.671 1.00 0.00 O ATOM 1788 CB LEU A 602 13.667 -0.423 -5.651 1.00 0.00 C ATOM 1789 CG LEU A 602 13.312 0.202 -7.005 1.00 0.00 C ATOM 1790 CD1 LEU A 602 12.031 -0.440 -7.542 1.00 0.00 C ATOM 1791 CD2 LEU A 602 13.093 1.709 -6.836 1.00 0.00 C ATOM 0 H LEU A 602 15.108 -1.582 -4.028 1.00 0.00 H new ATOM 0 HA LEU A 602 15.621 0.440 -5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 602 13.803 -1.499 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 602 12.848 -0.276 -4.947 1.00 0.00 H new ATOM 0 HG LEU A 602 14.129 0.031 -7.706 1.00 0.00 H new ATOM 0 HD11 LEU A 602 11.778 0.004 -8.505 1.00 0.00 H new ATOM 0 HD12 LEU A 602 12.185 -1.512 -7.666 1.00 0.00 H new ATOM 0 HD13 LEU A 602 11.216 -0.270 -6.838 1.00 0.00 H new ATOM 0 HD21 LEU A 602 12.841 2.150 -7.800 1.00 0.00 H new ATOM 0 HD22 LEU A 602 12.278 1.882 -6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 602 14.005 2.169 -6.454 1.00 0.00 H new ATOM 1803 N VAL A 603 13.686 1.431 -3.428 1.00 0.00 N ATOM 1804 CA VAL A 603 13.282 2.606 -2.666 1.00 0.00 C ATOM 1805 C VAL A 603 14.480 3.212 -1.941 1.00 0.00 C ATOM 1806 O VAL A 603 14.490 4.402 -1.628 1.00 0.00 O ATOM 1807 CB VAL A 603 12.208 2.224 -1.646 1.00 0.00 C ATOM 1808 CG1 VAL A 603 11.766 3.470 -0.878 1.00 0.00 C ATOM 1809 CG2 VAL A 603 11.004 1.621 -2.375 1.00 0.00 C ATOM 0 H VAL A 603 13.204 0.570 -3.170 1.00 0.00 H new ATOM 0 HA VAL A 603 12.879 3.344 -3.360 1.00 0.00 H new ATOM 0 HB VAL A 603 12.615 1.493 -0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 603 11.001 3.197 -0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 603 12.622 3.900 -0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 603 11.359 4.202 -1.576 1.00 0.00 H new ATOM 0 HG21 VAL A 603 10.238 1.348 -1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 603 10.598 2.353 -3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 603 11.318 0.732 -2.922 1.00 0.00 H new ATOM 1819 N GLY A 604 15.486 2.386 -1.678 1.00 0.00 N ATOM 1820 CA GLY A 604 16.683 2.853 -0.988 1.00 0.00 C ATOM 1821 C GLY A 604 17.491 3.795 -1.874 1.00 0.00 C ATOM 1822 O GLY A 604 18.175 4.691 -1.380 1.00 0.00 O ATOM 0 H GLY A 604 15.498 1.398 -1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 604 16.401 3.366 -0.068 1.00 0.00 H new ATOM 0 HA3 GLY A 604 17.298 2.000 -0.701 1.00 0.00 H new ATOM 1826 N SER A 605 17.408 3.586 -3.184 1.00 0.00 N ATOM 1827 CA SER A 605 18.137 4.424 -4.128 1.00 0.00 C ATOM 1828 C SER A 605 17.430 5.762 -4.318 1.00 0.00 C ATOM 1829 O SER A 605 18.073 6.807 -4.416 1.00 0.00 O ATOM 1830 CB SER A 605 18.255 3.712 -5.475 1.00 0.00 C ATOM 1831 OG SER A 605 16.953 3.470 -5.995 1.00 0.00 O ATOM 0 H SER A 605 16.848 2.850 -3.613 1.00 0.00 H new ATOM 0 HA SER A 605 19.133 4.608 -3.725 1.00 0.00 H new ATOM 0 HB2 SER A 605 18.830 4.321 -6.172 1.00 0.00 H new ATOM 0 HB3 SER A 605 18.792 2.771 -5.356 1.00 0.00 H new ATOM 0 HG SER A 605 16.522 2.756 -5.480 1.00 0.00 H new ATOM 1837 N CYS A 606 16.102 5.723 -4.367 1.00 0.00 N ATOM 1838 CA CYS A 606 15.318 6.940 -4.547 1.00 0.00 C ATOM 1839 C CYS A 606 15.200 7.702 -3.230 1.00 0.00 C ATOM 1840 O CYS A 606 14.225 7.541 -2.494 1.00 0.00 O ATOM 1841 CB CYS A 606 13.920 6.589 -5.062 1.00 0.00 C ATOM 1842 SG CYS A 606 13.036 8.107 -5.494 1.00 0.00 S ATOM 0 H CYS A 606 15.550 4.869 -4.285 1.00 0.00 H new ATOM 0 HA CYS A 606 15.826 7.572 -5.275 1.00 0.00 H new ATOM 0 HB2 CYS A 606 13.995 5.939 -5.934 1.00 0.00 H new ATOM 0 HB3 CYS A 606 13.368 6.039 -4.300 1.00 0.00 H new ATOM 0 HG CYS A 606 11.850 7.808 -5.933 1.00 0.00 H new ATOM 1848 N ALA A 607 16.196 8.533 -2.940 1.00 0.00 N ATOM 1849 CA ALA A 607 16.191 9.316 -1.708 1.00 0.00 C ATOM 1850 C ALA A 607 17.323 10.339 -1.717 1.00 0.00 C ATOM 1851 O ALA A 607 17.704 10.848 -2.772 1.00 0.00 O ATOM 1852 CB ALA A 607 16.348 8.390 -0.501 1.00 0.00 C ATOM 0 H ALA A 607 17.011 8.682 -3.535 1.00 0.00 H new ATOM 0 HA ALA A 607 15.240 9.845 -1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 607 16.343 8.982 0.414 1.00 0.00 H new ATOM 0 HB2 ALA A 607 15.522 7.679 -0.478 1.00 0.00 H new ATOM 0 HB3 ALA A 607 17.291 7.848 -0.578 1.00 0.00 H new