USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 697 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 578 LYS NZ :NH3+ 167:sc= 0.31 (180deg=0) USER MOD Set 1.2: A 592 SER OG : rot 180:sc= -3.7! USER MOD Set 1.3: A 595 ASN : amide:sc= -0.282 K(o=-3.7,f=-8.3!) USER MOD Single : A 513 THR OG1 : rot 62:sc= 0.354! USER MOD Single : A 518 THR OG1 : rot 46:sc= 0.203 USER MOD Single : A 522 THR OG1 : rot 180:sc= 0 USER MOD Single : A 524 THR OG1 : rot 180:sc= 0 USER MOD Single : A 525 THR OG1 : rot 180:sc= 0 USER MOD Single : A 530 ASN : amide:sc= -6.84! C(o=-6.8!,f=-2.6!) USER MOD Single : A 532 TYR OH : rot 180:sc= 0 USER MOD Single : A 536 SER OG : rot -150:sc= 0.361 USER MOD Single : A 538 SER OG : rot 180:sc= 0 USER MOD Single : A 539 GLN : amide:sc= -2.2 X(o=-2.2,f=-1.8) USER MOD Single : A 545 THR OG1 : rot 180:sc= 0 USER MOD Single : A 546 SER OG : rot 180:sc= 0 USER MOD Single : A 552 SER OG : rot 180:sc= -0.33 USER MOD Single : A 555 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00177) USER MOD Single : A 564 TYR OH : rot 180:sc= -0.725 USER MOD Single : A 566 THR OG1 : rot 6:sc= 0.643 USER MOD Single : A 568 THR OG1 : rot 180:sc= 0 USER MOD Single : A 574 SER OG : rot 110:sc= -0.0926 USER MOD Single : A 577 TYR OH : rot 180:sc= 0 USER MOD Single : A 584 SER OG : rot 180:sc= 0 USER MOD Single : A 587 SER OG : rot -50:sc= 0.186 USER MOD Single : A 598 TYR OH : rot 30:sc= -6.3! USER MOD Single : A 599 THR OG1 : rot 180:sc= 0.0371 USER MOD Single : A 602 GLN : amide:sc= -0.0819 K(o=-0.082,f=-1.2) USER MOD Single : A 604 CYS SG : rot 180:sc= 0 USER MOD Single : A 606 THR OG1 : rot 180:sc= 0.0314 USER MOD Single : A 607 SER OG : rot -172:sc= -2.07! USER MOD Single : A 608 THR OG1 : rot -30:sc= 0.7! USER MOD Single : A 610 THR OG1 : rot 180:sc= 0 USER MOD Single : A 612 THR OG1 : rot -83:sc= 0.13 USER MOD Single : A 614 THR OG1 : rot 62:sc= 0.103 USER MOD ----------------------------------------------------------------- ATOM 55 N THR A 513 -4.684 16.046 11.739 1.00 0.00 N ATOM 56 CA THR A 513 -3.636 15.004 11.931 1.00 0.00 C ATOM 57 C THR A 513 -3.722 13.976 10.800 1.00 0.00 C ATOM 58 O THR A 513 -3.344 12.832 10.962 1.00 0.00 O ATOM 59 CB THR A 513 -3.853 14.304 13.274 1.00 0.00 C ATOM 60 OG1 THR A 513 -4.785 13.245 13.110 1.00 0.00 O ATOM 61 CG2 THR A 513 -4.392 15.309 14.294 1.00 0.00 C ATOM 0 HA THR A 513 -2.652 15.473 11.920 1.00 0.00 H new ATOM 0 HB THR A 513 -2.905 13.901 13.631 1.00 0.00 H new ATOM 0 HG1 THR A 513 -4.427 12.590 12.476 1.00 0.00 H new ATOM 0 HG21 THR A 513 -4.546 14.809 15.250 1.00 0.00 H new ATOM 0 HG22 THR A 513 -3.675 16.120 14.420 1.00 0.00 H new ATOM 0 HG23 THR A 513 -5.340 15.715 13.939 1.00 0.00 H new ATOM 69 N ALA A 514 -4.212 14.377 9.656 1.00 0.00 N ATOM 70 CA ALA A 514 -4.323 13.428 8.511 1.00 0.00 C ATOM 71 C ALA A 514 -2.955 13.276 7.846 1.00 0.00 C ATOM 72 O ALA A 514 -2.277 14.248 7.579 1.00 0.00 O ATOM 73 CB ALA A 514 -5.324 13.976 7.492 1.00 0.00 C ATOM 0 H ALA A 514 -4.541 15.324 9.466 1.00 0.00 H new ATOM 0 HA ALA A 514 -4.664 12.458 8.872 1.00 0.00 H new ATOM 0 HB1 ALA A 514 -5.406 13.284 6.654 1.00 0.00 H new ATOM 0 HB2 ALA A 514 -6.299 14.091 7.965 1.00 0.00 H new ATOM 0 HB3 ALA A 514 -4.981 14.945 7.129 1.00 0.00 H new ATOM 79 N VAL A 515 -2.533 12.067 7.577 1.00 0.00 N ATOM 80 CA VAL A 515 -1.203 11.888 6.934 1.00 0.00 C ATOM 81 C VAL A 515 -1.351 11.413 5.496 1.00 0.00 C ATOM 82 O VAL A 515 -1.428 10.229 5.231 1.00 0.00 O ATOM 83 CB VAL A 515 -0.371 10.874 7.692 1.00 0.00 C ATOM 84 CG1 VAL A 515 1.056 10.893 7.119 1.00 0.00 C ATOM 85 CG2 VAL A 515 -0.374 11.252 9.172 1.00 0.00 C ATOM 0 H VAL A 515 -3.047 11.208 7.773 1.00 0.00 H new ATOM 0 HA VAL A 515 -0.705 12.858 6.948 1.00 0.00 H new ATOM 0 HB VAL A 515 -0.779 9.868 7.588 1.00 0.00 H new ATOM 0 HG11 VAL A 515 1.672 10.169 7.652 1.00 0.00 H new ATOM 0 HG12 VAL A 515 1.026 10.635 6.060 1.00 0.00 H new ATOM 0 HG13 VAL A 515 1.483 11.889 7.238 1.00 0.00 H new ATOM 0 HG21 VAL A 515 0.221 10.531 9.733 1.00 0.00 H new ATOM 0 HG22 VAL A 515 0.052 12.248 9.294 1.00 0.00 H new ATOM 0 HG23 VAL A 515 -1.398 11.247 9.547 1.00 0.00 H new ATOM 95 N ALA A 516 -1.349 12.315 4.559 1.00 0.00 N ATOM 96 CA ALA A 516 -1.442 11.887 3.143 1.00 0.00 C ATOM 97 C ALA A 516 -0.053 11.423 2.728 1.00 0.00 C ATOM 98 O ALA A 516 0.903 12.179 2.791 1.00 0.00 O ATOM 99 CB ALA A 516 -1.877 13.058 2.259 1.00 0.00 C ATOM 0 H ALA A 516 -1.287 13.322 4.712 1.00 0.00 H new ATOM 0 HA ALA A 516 -2.177 11.090 3.031 1.00 0.00 H new ATOM 0 HB1 ALA A 516 -1.941 12.727 1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 516 -2.853 13.418 2.586 1.00 0.00 H new ATOM 0 HB3 ALA A 516 -1.148 13.864 2.339 1.00 0.00 H new ATOM 105 N VAL A 517 0.096 10.190 2.331 1.00 0.00 N ATOM 106 CA VAL A 517 1.455 9.747 1.950 1.00 0.00 C ATOM 107 C VAL A 517 1.369 9.156 0.544 1.00 0.00 C ATOM 108 O VAL A 517 0.460 8.409 0.231 1.00 0.00 O ATOM 109 CB VAL A 517 1.963 8.659 2.897 1.00 0.00 C ATOM 110 CG1 VAL A 517 3.411 8.955 3.255 1.00 0.00 C ATOM 111 CG2 VAL A 517 1.136 8.553 4.168 1.00 0.00 C ATOM 0 H VAL A 517 -0.644 9.492 2.257 1.00 0.00 H new ATOM 0 HA VAL A 517 2.138 10.595 1.996 1.00 0.00 H new ATOM 0 HB VAL A 517 1.876 7.703 2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 517 3.784 8.185 3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 517 4.015 8.965 2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 517 3.474 9.927 3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 517 1.543 7.765 4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 517 1.168 9.502 4.703 1.00 0.00 H new ATOM 0 HG23 VAL A 517 0.103 8.316 3.912 1.00 0.00 H new ATOM 121 N THR A 518 2.302 9.467 -0.304 1.00 0.00 N ATOM 122 CA THR A 518 2.268 8.900 -1.673 1.00 0.00 C ATOM 123 C THR A 518 3.195 7.693 -1.707 1.00 0.00 C ATOM 124 O THR A 518 4.353 7.780 -1.356 1.00 0.00 O ATOM 125 CB THR A 518 2.742 9.949 -2.682 1.00 0.00 C ATOM 126 OG1 THR A 518 3.109 9.304 -3.894 1.00 0.00 O ATOM 127 CG2 THR A 518 3.949 10.697 -2.114 1.00 0.00 C ATOM 0 H THR A 518 3.086 10.089 -0.108 1.00 0.00 H new ATOM 0 HA THR A 518 1.252 8.603 -1.934 1.00 0.00 H new ATOM 0 HB THR A 518 1.937 10.658 -2.876 1.00 0.00 H new ATOM 0 HG1 THR A 518 2.423 8.647 -4.136 1.00 0.00 H new ATOM 0 HG21 THR A 518 4.286 11.444 -2.833 1.00 0.00 H new ATOM 0 HG22 THR A 518 3.667 11.190 -1.184 1.00 0.00 H new ATOM 0 HG23 THR A 518 4.756 9.991 -1.919 1.00 0.00 H new ATOM 135 N PHE A 519 2.702 6.570 -2.132 1.00 0.00 N ATOM 136 CA PHE A 519 3.571 5.366 -2.190 1.00 0.00 C ATOM 137 C PHE A 519 3.657 4.885 -3.628 1.00 0.00 C ATOM 138 O PHE A 519 2.830 5.207 -4.469 1.00 0.00 O ATOM 139 CB PHE A 519 3.025 4.194 -1.347 1.00 0.00 C ATOM 140 CG PHE A 519 2.198 4.668 -0.177 1.00 0.00 C ATOM 141 CD1 PHE A 519 1.017 5.393 -0.376 1.00 0.00 C ATOM 142 CD2 PHE A 519 2.617 4.367 1.119 1.00 0.00 C ATOM 143 CE1 PHE A 519 0.267 5.815 0.722 1.00 0.00 C ATOM 144 CE2 PHE A 519 1.869 4.791 2.213 1.00 0.00 C ATOM 145 CZ PHE A 519 0.698 5.514 2.013 1.00 0.00 C ATOM 0 H PHE A 519 1.740 6.432 -2.441 1.00 0.00 H new ATOM 0 HA PHE A 519 4.542 5.659 -1.792 1.00 0.00 H new ATOM 0 HB2 PHE A 519 2.418 3.546 -1.979 1.00 0.00 H new ATOM 0 HB3 PHE A 519 3.858 3.593 -0.981 1.00 0.00 H new ATOM 0 HD1 PHE A 519 0.687 5.625 -1.378 1.00 0.00 H new ATOM 0 HD2 PHE A 519 3.525 3.803 1.274 1.00 0.00 H new ATOM 0 HE1 PHE A 519 -0.645 6.373 0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 519 2.197 4.559 3.215 1.00 0.00 H new ATOM 0 HZ PHE A 519 0.119 5.844 2.863 1.00 0.00 H new ATOM 155 N ASP A 520 4.641 4.092 -3.904 1.00 0.00 N ATOM 156 CA ASP A 520 4.802 3.542 -5.257 1.00 0.00 C ATOM 157 C ASP A 520 5.110 2.056 -5.119 1.00 0.00 C ATOM 158 O ASP A 520 5.707 1.630 -4.153 1.00 0.00 O ATOM 159 CB ASP A 520 5.960 4.248 -5.956 1.00 0.00 C ATOM 160 CG ASP A 520 5.435 5.464 -6.721 1.00 0.00 C ATOM 161 OD1 ASP A 520 4.670 6.218 -6.143 1.00 0.00 O ATOM 162 OD2 ASP A 520 5.806 5.620 -7.873 1.00 0.00 O ATOM 0 H ASP A 520 5.352 3.799 -3.234 1.00 0.00 H new ATOM 0 HA ASP A 520 3.896 3.689 -5.845 1.00 0.00 H new ATOM 0 HB2 ASP A 520 6.704 4.561 -5.223 1.00 0.00 H new ATOM 0 HB3 ASP A 520 6.457 3.561 -6.642 1.00 0.00 H new ATOM 167 N LEU A 521 4.705 1.265 -6.062 1.00 0.00 N ATOM 168 CA LEU A 521 4.980 -0.194 -5.977 1.00 0.00 C ATOM 169 C LEU A 521 5.211 -0.687 -7.390 1.00 0.00 C ATOM 170 O LEU A 521 4.296 -1.098 -8.067 1.00 0.00 O ATOM 171 CB LEU A 521 3.767 -0.906 -5.351 1.00 0.00 C ATOM 172 CG LEU A 521 4.103 -2.360 -4.973 1.00 0.00 C ATOM 173 CD1 LEU A 521 5.013 -2.987 -6.033 1.00 0.00 C ATOM 174 CD2 LEU A 521 4.799 -2.390 -3.605 1.00 0.00 C ATOM 0 H LEU A 521 4.193 1.563 -6.892 1.00 0.00 H new ATOM 0 HA LEU A 521 5.852 -0.399 -5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 521 3.443 -0.363 -4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 521 2.934 -0.894 -6.054 1.00 0.00 H new ATOM 0 HG LEU A 521 3.178 -2.935 -4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 521 5.243 -4.015 -5.753 1.00 0.00 H new ATOM 0 HD12 LEU A 521 4.507 -2.978 -6.998 1.00 0.00 H new ATOM 0 HD13 LEU A 521 5.938 -2.415 -6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 521 5.036 -3.420 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 521 5.719 -1.807 -3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 521 4.137 -1.964 -2.851 1.00 0.00 H new ATOM 186 N THR A 522 6.425 -0.644 -7.848 1.00 0.00 N ATOM 187 CA THR A 522 6.679 -1.102 -9.234 1.00 0.00 C ATOM 188 C THR A 522 6.588 -2.618 -9.318 1.00 0.00 C ATOM 189 O THR A 522 7.437 -3.333 -8.832 1.00 0.00 O ATOM 190 CB THR A 522 8.057 -0.629 -9.701 1.00 0.00 C ATOM 191 OG1 THR A 522 8.103 0.791 -9.674 1.00 0.00 O ATOM 192 CG2 THR A 522 8.313 -1.124 -11.125 1.00 0.00 C ATOM 0 H THR A 522 7.241 -0.317 -7.332 1.00 0.00 H new ATOM 0 HA THR A 522 5.919 -0.672 -9.887 1.00 0.00 H new ATOM 0 HB THR A 522 8.823 -1.030 -9.037 1.00 0.00 H new ATOM 0 HG1 THR A 522 8.986 1.095 -9.971 1.00 0.00 H new ATOM 0 HG21 THR A 522 9.295 -0.786 -11.457 1.00 0.00 H new ATOM 0 HG22 THR A 522 8.279 -2.213 -11.143 1.00 0.00 H new ATOM 0 HG23 THR A 522 7.548 -0.726 -11.792 1.00 0.00 H new ATOM 200 N ALA A 523 5.567 -3.114 -9.961 1.00 0.00 N ATOM 201 CA ALA A 523 5.418 -4.573 -10.097 1.00 0.00 C ATOM 202 C ALA A 523 4.821 -4.825 -11.458 1.00 0.00 C ATOM 203 O ALA A 523 5.229 -4.226 -12.435 1.00 0.00 O ATOM 204 CB ALA A 523 4.519 -5.110 -8.976 1.00 0.00 C ATOM 0 H ALA A 523 4.830 -2.560 -10.397 1.00 0.00 H new ATOM 0 HA ALA A 523 6.375 -5.087 -10.010 1.00 0.00 H new ATOM 0 HB1 ALA A 523 4.412 -6.190 -9.081 1.00 0.00 H new ATOM 0 HB2 ALA A 523 4.968 -4.882 -8.009 1.00 0.00 H new ATOM 0 HB3 ALA A 523 3.538 -4.640 -9.040 1.00 0.00 H new ATOM 210 N THR A 524 3.887 -5.712 -11.551 1.00 0.00 N ATOM 211 CA THR A 524 3.273 -6.026 -12.878 1.00 0.00 C ATOM 212 C THR A 524 2.513 -7.325 -12.761 1.00 0.00 C ATOM 213 O THR A 524 3.092 -8.366 -12.515 1.00 0.00 O ATOM 214 CB THR A 524 4.376 -6.219 -13.910 1.00 0.00 C ATOM 215 OG1 THR A 524 3.947 -7.145 -14.899 1.00 0.00 O ATOM 216 CG2 THR A 524 5.589 -6.765 -13.182 1.00 0.00 C ATOM 0 H THR A 524 3.512 -6.243 -10.765 1.00 0.00 H new ATOM 0 HA THR A 524 2.612 -5.213 -13.178 1.00 0.00 H new ATOM 0 HB THR A 524 4.617 -5.277 -14.402 1.00 0.00 H new ATOM 0 HG1 THR A 524 4.657 -7.267 -15.563 1.00 0.00 H new ATOM 0 HG21 THR A 524 6.402 -6.916 -13.892 1.00 0.00 H new ATOM 0 HG22 THR A 524 5.903 -6.056 -12.416 1.00 0.00 H new ATOM 0 HG23 THR A 524 5.335 -7.716 -12.714 1.00 0.00 H new ATOM 224 N THR A 525 1.230 -7.294 -12.933 1.00 0.00 N ATOM 225 CA THR A 525 0.483 -8.587 -12.822 1.00 0.00 C ATOM 226 C THR A 525 -0.889 -8.479 -13.464 1.00 0.00 C ATOM 227 O THR A 525 -1.148 -7.576 -14.234 1.00 0.00 O ATOM 228 CB THR A 525 0.343 -8.972 -11.340 1.00 0.00 C ATOM 229 OG1 THR A 525 0.190 -10.380 -11.235 1.00 0.00 O ATOM 230 CG2 THR A 525 -0.876 -8.280 -10.720 1.00 0.00 C ATOM 0 H THR A 525 0.672 -6.465 -13.139 1.00 0.00 H new ATOM 0 HA THR A 525 1.043 -9.360 -13.349 1.00 0.00 H new ATOM 0 HB THR A 525 1.238 -8.653 -10.805 1.00 0.00 H new ATOM 0 HG1 THR A 525 0.102 -10.630 -10.292 1.00 0.00 H new ATOM 0 HG21 THR A 525 -0.961 -8.563 -9.671 1.00 0.00 H new ATOM 0 HG22 THR A 525 -0.758 -7.199 -10.796 1.00 0.00 H new ATOM 0 HG23 THR A 525 -1.777 -8.585 -11.252 1.00 0.00 H new ATOM 295 N ASN A 530 -5.169 -5.649 -7.304 1.00 0.00 N ATOM 296 CA ASN A 530 -4.639 -4.386 -6.687 1.00 0.00 C ATOM 297 C ASN A 530 -3.433 -4.684 -5.789 1.00 0.00 C ATOM 298 O ASN A 530 -3.422 -5.643 -5.083 1.00 0.00 O ATOM 299 CB ASN A 530 -5.754 -3.734 -5.865 1.00 0.00 C ATOM 300 CG ASN A 530 -5.608 -2.214 -5.906 1.00 0.00 C ATOM 301 OD1 ASN A 530 -6.314 -1.547 -6.637 1.00 0.00 O ATOM 302 ND2 ASN A 530 -4.722 -1.630 -5.154 1.00 0.00 N ATOM 0 HA ASN A 530 -4.312 -3.710 -7.477 1.00 0.00 H new ATOM 0 HB2 ASN A 530 -6.727 -4.026 -6.260 1.00 0.00 H new ATOM 0 HB3 ASN A 530 -5.710 -4.085 -4.834 1.00 0.00 H new ATOM 0 HD21 ASN A 530 -4.621 -0.615 -5.179 1.00 0.00 H new ATOM 0 HD22 ASN A 530 -4.128 -2.187 -4.539 1.00 0.00 H new ATOM 309 N ILE A 531 -2.420 -3.846 -5.810 1.00 0.00 N ATOM 310 CA ILE A 531 -1.223 -4.074 -4.923 1.00 0.00 C ATOM 311 C ILE A 531 -1.362 -3.064 -3.780 1.00 0.00 C ATOM 312 O ILE A 531 -1.366 -1.878 -3.989 1.00 0.00 O ATOM 313 CB ILE A 531 0.080 -3.875 -5.730 1.00 0.00 C ATOM 314 CG1 ILE A 531 1.264 -4.555 -5.068 1.00 0.00 C ATOM 315 CG2 ILE A 531 0.413 -2.399 -5.865 1.00 0.00 C ATOM 316 CD1 ILE A 531 2.334 -4.830 -6.124 1.00 0.00 C ATOM 0 H ILE A 531 -2.367 -3.016 -6.400 1.00 0.00 H new ATOM 0 HA ILE A 531 -1.178 -5.089 -4.529 1.00 0.00 H new ATOM 0 HB ILE A 531 -0.096 -4.320 -6.709 1.00 0.00 H new ATOM 0 HG12 ILE A 531 1.668 -3.922 -4.278 1.00 0.00 H new ATOM 0 HG13 ILE A 531 0.949 -5.487 -4.599 1.00 0.00 H new ATOM 0 HG21 ILE A 531 1.334 -2.285 -6.437 1.00 0.00 H new ATOM 0 HG22 ILE A 531 -0.400 -1.888 -6.381 1.00 0.00 H new ATOM 0 HG23 ILE A 531 0.544 -1.964 -4.874 1.00 0.00 H new ATOM 0 HD11 ILE A 531 3.189 -5.319 -5.657 1.00 0.00 H new ATOM 0 HD12 ILE A 531 1.923 -5.479 -6.898 1.00 0.00 H new ATOM 0 HD13 ILE A 531 2.654 -3.889 -6.571 1.00 0.00 H new ATOM 328 N TYR A 532 -1.625 -3.533 -2.596 1.00 0.00 N ATOM 329 CA TYR A 532 -1.925 -2.600 -1.463 1.00 0.00 C ATOM 330 C TYR A 532 -0.795 -2.272 -0.509 1.00 0.00 C ATOM 331 O TYR A 532 0.344 -2.618 -0.684 1.00 0.00 O ATOM 332 CB TYR A 532 -2.962 -3.264 -0.628 1.00 0.00 C ATOM 333 CG TYR A 532 -4.285 -2.712 -0.960 1.00 0.00 C ATOM 334 CD1 TYR A 532 -4.946 -3.173 -2.100 1.00 0.00 C ATOM 335 CD2 TYR A 532 -4.881 -1.810 -0.080 1.00 0.00 C ATOM 336 CE1 TYR A 532 -6.241 -2.721 -2.368 1.00 0.00 C ATOM 337 CE2 TYR A 532 -6.186 -1.371 -0.333 1.00 0.00 C ATOM 338 CZ TYR A 532 -6.869 -1.831 -1.476 1.00 0.00 C ATOM 339 OH TYR A 532 -8.156 -1.399 -1.728 1.00 0.00 O ATOM 0 H TYR A 532 -1.647 -4.524 -2.357 1.00 0.00 H new ATOM 0 HA TYR A 532 -2.200 -1.660 -1.942 1.00 0.00 H new ATOM 0 HB2 TYR A 532 -2.951 -4.340 -0.802 1.00 0.00 H new ATOM 0 HB3 TYR A 532 -2.747 -3.110 0.429 1.00 0.00 H new ATOM 0 HD1 TYR A 532 -4.462 -3.871 -2.767 1.00 0.00 H new ATOM 0 HD2 TYR A 532 -4.343 -1.454 0.786 1.00 0.00 H new ATOM 0 HE1 TYR A 532 -6.758 -3.053 -3.256 1.00 0.00 H new ATOM 0 HE2 TYR A 532 -6.667 -0.682 0.346 1.00 0.00 H new ATOM 0 HH TYR A 532 -8.442 -0.790 -1.015 1.00 0.00 H new ATOM 349 N LEU A 533 -1.173 -1.591 0.552 1.00 0.00 N ATOM 350 CA LEU A 533 -0.198 -1.203 1.588 1.00 0.00 C ATOM 351 C LEU A 533 -0.838 -1.240 2.985 1.00 0.00 C ATOM 352 O LEU A 533 -1.302 -0.240 3.495 1.00 0.00 O ATOM 353 CB LEU A 533 0.305 0.204 1.293 1.00 0.00 C ATOM 354 CG LEU A 533 1.828 0.217 1.291 1.00 0.00 C ATOM 355 CD1 LEU A 533 2.312 0.906 0.014 1.00 0.00 C ATOM 356 CD2 LEU A 533 2.326 0.984 2.519 1.00 0.00 C ATOM 0 H LEU A 533 -2.131 -1.291 0.732 1.00 0.00 H new ATOM 0 HA LEU A 533 0.632 -1.910 1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 533 -0.072 0.540 0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 533 -0.073 0.900 2.042 1.00 0.00 H new ATOM 0 HG LEU A 533 2.215 -0.801 1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 533 3.402 0.922 -0.000 1.00 0.00 H new ATOM 0 HD12 LEU A 533 1.946 0.360 -0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 533 1.934 1.928 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 533 3.416 0.997 2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 533 1.951 2.007 2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 533 1.966 0.495 3.424 1.00 0.00 H new ATOM 368 N VAL A 534 -0.857 -2.390 3.601 1.00 0.00 N ATOM 369 CA VAL A 534 -1.453 -2.521 4.969 1.00 0.00 C ATOM 370 C VAL A 534 -0.351 -2.200 6.025 1.00 0.00 C ATOM 371 O VAL A 534 0.481 -3.011 6.363 1.00 0.00 O ATOM 372 CB VAL A 534 -2.045 -3.964 5.083 1.00 0.00 C ATOM 373 CG1 VAL A 534 -1.111 -4.967 5.667 1.00 0.00 C ATOM 374 CG2 VAL A 534 -3.271 -4.075 5.953 1.00 0.00 C ATOM 0 H VAL A 534 -0.482 -3.256 3.214 1.00 0.00 H new ATOM 0 HA VAL A 534 -2.265 -1.817 5.152 1.00 0.00 H new ATOM 0 HB VAL A 534 -2.269 -4.169 4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 534 -1.602 -5.939 5.710 1.00 0.00 H new ATOM 0 HG12 VAL A 534 -0.218 -5.038 5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 534 -0.829 -4.659 6.674 1.00 0.00 H new ATOM 0 HG21 VAL A 534 -3.611 -5.111 5.973 1.00 0.00 H new ATOM 0 HG22 VAL A 534 -3.029 -3.753 6.966 1.00 0.00 H new ATOM 0 HG23 VAL A 534 -4.061 -3.442 5.550 1.00 0.00 H new ATOM 384 N GLY A 535 -0.370 -0.991 6.543 1.00 0.00 N ATOM 385 CA GLY A 535 0.635 -0.547 7.599 1.00 0.00 C ATOM 386 C GLY A 535 -0.118 -0.510 8.931 1.00 0.00 C ATOM 387 O GLY A 535 -1.289 -0.353 8.905 1.00 0.00 O ATOM 0 H GLY A 535 -1.046 -0.274 6.282 1.00 0.00 H new ATOM 0 HA2 GLY A 535 1.476 -1.239 7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 535 1.043 0.434 7.357 1.00 0.00 H new ATOM 391 N SER A 536 0.508 -0.719 10.087 1.00 0.00 N ATOM 392 CA SER A 536 -0.278 -0.816 11.400 1.00 0.00 C ATOM 393 C SER A 536 -0.843 0.517 11.806 1.00 0.00 C ATOM 394 O SER A 536 -0.260 1.264 12.568 1.00 0.00 O ATOM 395 CB SER A 536 0.627 -1.306 12.535 1.00 0.00 C ATOM 396 OG SER A 536 -0.129 -1.361 13.738 1.00 0.00 O ATOM 0 H SER A 536 1.518 -0.826 10.184 1.00 0.00 H new ATOM 0 HA SER A 536 -1.092 -1.520 11.227 1.00 0.00 H new ATOM 0 HB2 SER A 536 1.029 -2.291 12.298 1.00 0.00 H new ATOM 0 HB3 SER A 536 1.477 -0.635 12.655 1.00 0.00 H new ATOM 0 HG SER A 536 0.462 -1.200 14.503 1.00 0.00 H new ATOM 402 N ILE A 537 -2.008 0.791 11.303 1.00 0.00 N ATOM 403 CA ILE A 537 -2.697 2.026 11.627 1.00 0.00 C ATOM 404 C ILE A 537 -4.184 1.768 11.584 1.00 0.00 C ATOM 405 O ILE A 537 -4.647 0.884 10.923 1.00 0.00 O ATOM 406 CB ILE A 537 -2.289 3.106 10.641 1.00 0.00 C ATOM 407 CG1 ILE A 537 -0.934 2.715 10.030 1.00 0.00 C ATOM 408 CG2 ILE A 537 -2.164 4.443 11.370 1.00 0.00 C ATOM 409 CD1 ILE A 537 -0.425 3.795 9.078 1.00 0.00 C ATOM 0 H ILE A 537 -2.513 0.179 10.662 1.00 0.00 H new ATOM 0 HA ILE A 537 -2.430 2.370 12.626 1.00 0.00 H new ATOM 0 HB ILE A 537 -3.038 3.204 9.855 1.00 0.00 H new ATOM 0 HG12 ILE A 537 -0.206 2.555 10.825 1.00 0.00 H new ATOM 0 HG13 ILE A 537 -1.033 1.771 9.494 1.00 0.00 H new ATOM 0 HG21 ILE A 537 -1.871 5.218 10.661 1.00 0.00 H new ATOM 0 HG22 ILE A 537 -3.123 4.704 11.818 1.00 0.00 H new ATOM 0 HG23 ILE A 537 -1.409 4.362 12.152 1.00 0.00 H new ATOM 0 HD11 ILE A 537 0.535 3.490 8.662 1.00 0.00 H new ATOM 0 HD12 ILE A 537 -1.143 3.935 8.270 1.00 0.00 H new ATOM 0 HD13 ILE A 537 -0.303 4.732 9.622 1.00 0.00 H new ATOM 421 N SER A 538 -4.937 2.493 12.325 1.00 0.00 N ATOM 422 CA SER A 538 -6.409 2.213 12.324 1.00 0.00 C ATOM 423 C SER A 538 -7.020 2.629 10.984 1.00 0.00 C ATOM 424 O SER A 538 -7.893 1.965 10.461 1.00 0.00 O ATOM 425 CB SER A 538 -7.093 2.951 13.475 1.00 0.00 C ATOM 426 OG SER A 538 -8.377 2.385 13.699 1.00 0.00 O ATOM 0 H SER A 538 -4.626 3.256 12.926 1.00 0.00 H new ATOM 0 HA SER A 538 -6.563 1.143 12.463 1.00 0.00 H new ATOM 0 HB2 SER A 538 -6.488 2.879 14.379 1.00 0.00 H new ATOM 0 HB3 SER A 538 -7.186 4.011 13.238 1.00 0.00 H new ATOM 0 HG SER A 538 -8.817 2.855 14.438 1.00 0.00 H new ATOM 432 N GLN A 539 -6.535 3.679 10.394 1.00 0.00 N ATOM 433 CA GLN A 539 -7.050 4.082 9.060 1.00 0.00 C ATOM 434 C GLN A 539 -6.306 3.215 8.057 1.00 0.00 C ATOM 435 O GLN A 539 -6.765 2.933 6.967 1.00 0.00 O ATOM 436 CB GLN A 539 -6.751 5.559 8.803 1.00 0.00 C ATOM 437 CG GLN A 539 -7.823 6.146 7.883 1.00 0.00 C ATOM 438 CD GLN A 539 -7.499 5.791 6.431 1.00 0.00 C ATOM 439 OE1 GLN A 539 -8.099 4.900 5.862 1.00 0.00 O ATOM 440 NE2 GLN A 539 -6.569 6.457 5.801 1.00 0.00 N ATOM 0 H GLN A 539 -5.803 4.277 10.777 1.00 0.00 H new ATOM 0 HA GLN A 539 -8.130 3.952 8.987 1.00 0.00 H new ATOM 0 HB2 GLN A 539 -6.728 6.105 9.746 1.00 0.00 H new ATOM 0 HB3 GLN A 539 -5.767 5.667 8.347 1.00 0.00 H new ATOM 0 HG2 GLN A 539 -8.804 5.755 8.154 1.00 0.00 H new ATOM 0 HG3 GLN A 539 -7.867 7.229 8.003 1.00 0.00 H new ATOM 0 HE21 GLN A 539 -6.065 7.205 6.278 1.00 0.00 H new ATOM 0 HE22 GLN A 539 -6.346 6.229 4.832 1.00 0.00 H new ATOM 449 N LEU A 540 -5.161 2.755 8.476 1.00 0.00 N ATOM 450 CA LEU A 540 -4.330 1.856 7.660 1.00 0.00 C ATOM 451 C LEU A 540 -4.225 0.587 8.480 1.00 0.00 C ATOM 452 O LEU A 540 -3.210 0.276 8.966 1.00 0.00 O ATOM 453 CB LEU A 540 -2.956 2.503 7.469 1.00 0.00 C ATOM 454 CG LEU A 540 -2.179 1.831 6.342 1.00 0.00 C ATOM 455 CD1 LEU A 540 -2.419 2.595 5.041 1.00 0.00 C ATOM 456 CD2 LEU A 540 -0.685 1.872 6.684 1.00 0.00 C ATOM 0 H LEU A 540 -4.761 2.980 9.387 1.00 0.00 H new ATOM 0 HA LEU A 540 -4.740 1.656 6.670 1.00 0.00 H new ATOM 0 HB2 LEU A 540 -3.079 3.563 7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 540 -2.387 2.435 8.397 1.00 0.00 H new ATOM 0 HG LEU A 540 -2.508 0.798 6.224 1.00 0.00 H new ATOM 0 HD11 LEU A 540 -1.866 2.119 4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 540 -3.483 2.588 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 540 -2.080 3.624 5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 540 -0.116 1.395 5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 540 -0.364 2.908 6.789 1.00 0.00 H new ATOM 0 HD23 LEU A 540 -0.511 1.342 7.621 1.00 0.00 H new ATOM 468 N GLY A 541 -5.325 -0.078 8.706 1.00 0.00 N ATOM 469 CA GLY A 541 -5.375 -1.296 9.596 1.00 0.00 C ATOM 470 C GLY A 541 -4.052 -2.061 9.648 1.00 0.00 C ATOM 471 O GLY A 541 -3.537 -2.384 10.702 1.00 0.00 O ATOM 0 H GLY A 541 -6.226 0.174 8.301 1.00 0.00 H new ATOM 0 HA2 GLY A 541 -5.649 -0.989 10.605 1.00 0.00 H new ATOM 0 HA3 GLY A 541 -6.160 -1.964 9.242 1.00 0.00 H new ATOM 475 N ASP A 542 -3.553 -2.380 8.507 1.00 0.00 N ATOM 476 CA ASP A 542 -2.269 -3.196 8.369 1.00 0.00 C ATOM 477 C ASP A 542 -2.540 -4.653 8.579 1.00 0.00 C ATOM 478 O ASP A 542 -1.810 -5.508 8.166 1.00 0.00 O ATOM 479 CB ASP A 542 -1.276 -2.917 9.448 1.00 0.00 C ATOM 480 CG ASP A 542 0.126 -3.361 8.971 1.00 0.00 C ATOM 481 OD1 ASP A 542 0.211 -4.373 8.311 1.00 0.00 O ATOM 482 OD2 ASP A 542 1.096 -2.720 9.305 1.00 0.00 O ATOM 0 H ASP A 542 -3.973 -2.115 7.616 1.00 0.00 H new ATOM 0 HA ASP A 542 -1.899 -2.934 7.378 1.00 0.00 H new ATOM 0 HB2 ASP A 542 -1.272 -1.854 9.690 1.00 0.00 H new ATOM 0 HB3 ASP A 542 -1.550 -3.450 10.358 1.00 0.00 H new ATOM 487 N TRP A 543 -3.519 -4.923 9.302 1.00 0.00 N ATOM 488 CA TRP A 543 -3.796 -6.294 9.667 1.00 0.00 C ATOM 489 C TRP A 543 -5.228 -6.599 9.261 1.00 0.00 C ATOM 490 O TRP A 543 -5.981 -7.300 9.908 1.00 0.00 O ATOM 491 CB TRP A 543 -3.512 -6.340 11.157 1.00 0.00 C ATOM 492 CG TRP A 543 -2.252 -5.494 11.437 1.00 0.00 C ATOM 493 CD1 TRP A 543 -2.161 -4.372 12.235 1.00 0.00 C ATOM 494 CD2 TRP A 543 -0.909 -5.643 10.852 1.00 0.00 C ATOM 495 NE1 TRP A 543 -0.857 -3.937 12.255 1.00 0.00 N ATOM 496 CE2 TRP A 543 -0.048 -4.666 11.417 1.00 0.00 C ATOM 497 CE3 TRP A 543 -0.352 -6.539 9.927 1.00 0.00 C ATOM 498 CZ2 TRP A 543 1.305 -4.584 11.074 1.00 0.00 C ATOM 499 CZ3 TRP A 543 1.006 -6.456 9.572 1.00 0.00 C ATOM 500 CH2 TRP A 543 1.833 -5.484 10.149 1.00 0.00 C ATOM 0 H TRP A 543 -4.172 -4.235 9.677 1.00 0.00 H new ATOM 0 HA TRP A 543 -3.195 -7.059 9.174 1.00 0.00 H new ATOM 0 HB2 TRP A 543 -4.362 -5.952 11.718 1.00 0.00 H new ATOM 0 HB3 TRP A 543 -3.359 -7.369 11.483 1.00 0.00 H new ATOM 0 HD1 TRP A 543 -2.983 -3.909 12.760 1.00 0.00 H new ATOM 0 HE1 TRP A 543 -0.527 -3.160 12.828 1.00 0.00 H new ATOM 0 HE3 TRP A 543 -0.974 -7.302 9.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 543 1.936 -3.830 11.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 543 1.414 -7.147 8.849 1.00 0.00 H new ATOM 0 HH2 TRP A 543 2.877 -5.432 9.878 1.00 0.00 H new ATOM 511 N GLU A 544 -5.546 -6.045 8.134 1.00 0.00 N ATOM 512 CA GLU A 544 -6.856 -6.181 7.475 1.00 0.00 C ATOM 513 C GLU A 544 -6.746 -5.292 6.261 1.00 0.00 C ATOM 514 O GLU A 544 -6.924 -4.098 6.353 1.00 0.00 O ATOM 515 CB GLU A 544 -7.986 -5.677 8.366 1.00 0.00 C ATOM 516 CG GLU A 544 -9.330 -6.031 7.726 1.00 0.00 C ATOM 517 CD GLU A 544 -10.466 -5.432 8.558 1.00 0.00 C ATOM 518 OE1 GLU A 544 -10.174 -4.652 9.450 1.00 0.00 O ATOM 519 OE2 GLU A 544 -11.609 -5.764 8.289 1.00 0.00 O ATOM 0 H GLU A 544 -4.895 -5.460 7.610 1.00 0.00 H new ATOM 0 HA GLU A 544 -7.083 -7.221 7.242 1.00 0.00 H new ATOM 0 HB2 GLU A 544 -7.912 -6.127 9.356 1.00 0.00 H new ATOM 0 HB3 GLU A 544 -7.906 -4.598 8.499 1.00 0.00 H new ATOM 0 HG2 GLU A 544 -9.371 -5.648 6.706 1.00 0.00 H new ATOM 0 HG3 GLU A 544 -9.442 -7.114 7.665 1.00 0.00 H new ATOM 526 N THR A 545 -6.399 -5.838 5.134 1.00 0.00 N ATOM 527 CA THR A 545 -6.231 -4.971 3.945 1.00 0.00 C ATOM 528 C THR A 545 -7.527 -4.177 3.718 1.00 0.00 C ATOM 529 O THR A 545 -7.567 -3.253 2.933 1.00 0.00 O ATOM 530 CB THR A 545 -5.980 -5.812 2.685 1.00 0.00 C ATOM 531 OG1 THR A 545 -7.016 -6.774 2.552 1.00 0.00 O ATOM 532 CG2 THR A 545 -4.638 -6.527 2.770 1.00 0.00 C ATOM 0 H THR A 545 -6.227 -6.832 4.986 1.00 0.00 H new ATOM 0 HA THR A 545 -5.382 -4.311 4.122 1.00 0.00 H new ATOM 0 HB THR A 545 -5.967 -5.149 1.820 1.00 0.00 H new ATOM 0 HG1 THR A 545 -6.861 -7.312 1.748 1.00 0.00 H new ATOM 0 HG21 THR A 545 -4.482 -7.116 1.867 1.00 0.00 H new ATOM 0 HG22 THR A 545 -3.839 -5.791 2.866 1.00 0.00 H new ATOM 0 HG23 THR A 545 -4.631 -7.186 3.639 1.00 0.00 H new ATOM 540 N SER A 546 -8.601 -4.555 4.373 1.00 0.00 N ATOM 541 CA SER A 546 -9.892 -3.839 4.166 1.00 0.00 C ATOM 542 C SER A 546 -9.685 -2.335 4.326 1.00 0.00 C ATOM 543 O SER A 546 -10.477 -1.537 3.866 1.00 0.00 O ATOM 544 CB SER A 546 -10.913 -4.324 5.195 1.00 0.00 C ATOM 545 OG SER A 546 -12.128 -3.605 5.027 1.00 0.00 O ATOM 0 H SER A 546 -8.635 -5.327 5.039 1.00 0.00 H new ATOM 0 HA SER A 546 -10.258 -4.045 3.160 1.00 0.00 H new ATOM 0 HB2 SER A 546 -11.090 -5.393 5.073 1.00 0.00 H new ATOM 0 HB3 SER A 546 -10.527 -4.178 6.204 1.00 0.00 H new ATOM 0 HG SER A 546 -12.785 -3.915 5.685 1.00 0.00 H new ATOM 551 N ASP A 547 -8.633 -1.940 4.981 1.00 0.00 N ATOM 552 CA ASP A 547 -8.387 -0.490 5.175 1.00 0.00 C ATOM 553 C ASP A 547 -6.885 -0.197 5.138 1.00 0.00 C ATOM 554 O ASP A 547 -6.412 0.667 5.840 1.00 0.00 O ATOM 555 CB ASP A 547 -8.950 -0.061 6.531 1.00 0.00 C ATOM 556 CG ASP A 547 -10.447 0.223 6.396 1.00 0.00 C ATOM 557 OD1 ASP A 547 -10.877 0.519 5.294 1.00 0.00 O ATOM 558 OD2 ASP A 547 -11.139 0.138 7.398 1.00 0.00 O ATOM 0 H ASP A 547 -7.933 -2.559 5.390 1.00 0.00 H new ATOM 0 HA ASP A 547 -8.877 0.064 4.374 1.00 0.00 H new ATOM 0 HB2 ASP A 547 -8.783 -0.844 7.270 1.00 0.00 H new ATOM 0 HB3 ASP A 547 -8.431 0.829 6.887 1.00 0.00 H new ATOM 563 N GLY A 548 -6.131 -0.883 4.315 1.00 0.00 N ATOM 564 CA GLY A 548 -4.677 -0.601 4.237 1.00 0.00 C ATOM 565 C GLY A 548 -4.489 0.544 3.256 1.00 0.00 C ATOM 566 O GLY A 548 -5.033 1.613 3.436 1.00 0.00 O ATOM 0 H GLY A 548 -6.465 -1.623 3.698 1.00 0.00 H new ATOM 0 HA2 GLY A 548 -4.284 -0.334 5.218 1.00 0.00 H new ATOM 0 HA3 GLY A 548 -4.132 -1.485 3.905 1.00 0.00 H new ATOM 570 N ILE A 549 -3.757 0.328 2.202 1.00 0.00 N ATOM 571 CA ILE A 549 -3.583 1.426 1.209 1.00 0.00 C ATOM 572 C ILE A 549 -3.275 0.858 -0.187 1.00 0.00 C ATOM 573 O ILE A 549 -2.152 0.564 -0.541 1.00 0.00 O ATOM 574 CB ILE A 549 -2.506 2.420 1.719 1.00 0.00 C ATOM 575 CG1 ILE A 549 -3.202 3.643 2.326 1.00 0.00 C ATOM 576 CG2 ILE A 549 -1.586 2.908 0.595 1.00 0.00 C ATOM 577 CD1 ILE A 549 -2.151 4.664 2.763 1.00 0.00 C ATOM 0 H ILE A 549 -3.278 -0.546 1.985 1.00 0.00 H new ATOM 0 HA ILE A 549 -4.514 1.983 1.104 1.00 0.00 H new ATOM 0 HB ILE A 549 -1.900 1.893 2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -3.877 4.090 1.596 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -3.809 3.342 3.180 1.00 0.00 H new ATOM 0 HG21 ILE A 549 -0.850 3.601 1.002 1.00 0.00 H new ATOM 0 HG22 ILE A 549 -1.074 2.056 0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -2.179 3.415 -0.166 1.00 0.00 H new ATOM 0 HD11 ILE A 549 -2.646 5.534 3.195 1.00 0.00 H new ATOM 0 HD12 ILE A 549 -1.494 4.214 3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 549 -1.563 4.973 1.899 1.00 0.00 H new ATOM 589 N ALA A 550 -4.320 0.697 -0.960 1.00 0.00 N ATOM 590 CA ALA A 550 -4.223 0.140 -2.346 1.00 0.00 C ATOM 591 C ALA A 550 -3.341 0.985 -3.265 1.00 0.00 C ATOM 592 O ALA A 550 -3.154 2.169 -3.070 1.00 0.00 O ATOM 593 CB ALA A 550 -5.614 0.122 -2.961 1.00 0.00 C ATOM 0 H ALA A 550 -5.270 0.937 -0.677 1.00 0.00 H new ATOM 0 HA ALA A 550 -3.785 -0.854 -2.259 1.00 0.00 H new ATOM 0 HB1 ALA A 550 -5.560 -0.282 -3.972 1.00 0.00 H new ATOM 0 HB2 ALA A 550 -6.271 -0.502 -2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 550 -6.009 1.137 -2.996 1.00 0.00 H new ATOM 599 N LEU A 551 -2.834 0.362 -4.298 1.00 0.00 N ATOM 600 CA LEU A 551 -1.990 1.089 -5.298 1.00 0.00 C ATOM 601 C LEU A 551 -2.437 0.693 -6.723 1.00 0.00 C ATOM 602 O LEU A 551 -2.628 -0.483 -7.006 1.00 0.00 O ATOM 603 CB LEU A 551 -0.517 0.702 -5.104 1.00 0.00 C ATOM 604 CG LEU A 551 -0.016 1.181 -3.737 1.00 0.00 C ATOM 605 CD1 LEU A 551 -0.340 0.145 -2.660 1.00 0.00 C ATOM 606 CD2 LEU A 551 1.500 1.376 -3.800 1.00 0.00 C ATOM 0 H LEU A 551 -2.969 -0.630 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 551 -2.105 2.164 -5.160 1.00 0.00 H new ATOM 0 HB2 LEU A 551 -0.405 -0.379 -5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 551 0.089 1.143 -5.896 1.00 0.00 H new ATOM 0 HG LEU A 551 -0.509 2.121 -3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 551 0.022 0.499 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 551 -1.419 -0.004 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 551 0.146 -0.799 -2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 551 1.864 1.717 -2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 551 1.978 0.430 -4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 551 1.740 2.120 -4.560 1.00 0.00 H new ATOM 618 N SER A 552 -2.604 1.654 -7.628 1.00 0.00 N ATOM 619 CA SER A 552 -3.040 1.281 -9.028 1.00 0.00 C ATOM 620 C SER A 552 -1.923 1.611 -10.036 1.00 0.00 C ATOM 621 O SER A 552 -0.901 2.097 -9.667 1.00 0.00 O ATOM 622 CB SER A 552 -4.299 2.029 -9.446 1.00 0.00 C ATOM 623 OG SER A 552 -5.104 1.181 -10.249 1.00 0.00 O ATOM 0 H SER A 552 -2.461 2.650 -7.462 1.00 0.00 H new ATOM 0 HA SER A 552 -3.250 0.211 -9.024 1.00 0.00 H new ATOM 0 HB2 SER A 552 -4.855 2.349 -8.565 1.00 0.00 H new ATOM 0 HB3 SER A 552 -4.034 2.929 -10.000 1.00 0.00 H new ATOM 0 HG SER A 552 -5.916 1.659 -10.518 1.00 0.00 H new ATOM 629 N ALA A 553 -2.072 1.358 -11.315 1.00 0.00 N ATOM 630 CA ALA A 553 -0.921 1.675 -12.215 1.00 0.00 C ATOM 631 C ALA A 553 -0.993 3.076 -12.821 1.00 0.00 C ATOM 632 O ALA A 553 -1.983 3.486 -13.385 1.00 0.00 O ATOM 633 CB ALA A 553 -0.789 0.659 -13.347 1.00 0.00 C ATOM 0 H ALA A 553 -2.901 0.964 -11.759 1.00 0.00 H new ATOM 0 HA ALA A 553 -0.043 1.628 -11.571 1.00 0.00 H new ATOM 0 HB1 ALA A 553 0.059 0.925 -13.978 1.00 0.00 H new ATOM 0 HB2 ALA A 553 -0.631 -0.335 -12.928 1.00 0.00 H new ATOM 0 HB3 ALA A 553 -1.700 0.660 -13.945 1.00 0.00 H new ATOM 639 N ASP A 554 0.106 3.775 -12.699 1.00 0.00 N ATOM 640 CA ASP A 554 0.272 5.163 -13.250 1.00 0.00 C ATOM 641 C ASP A 554 -0.371 5.322 -14.628 1.00 0.00 C ATOM 642 O ASP A 554 0.292 5.284 -15.644 1.00 0.00 O ATOM 643 CB ASP A 554 1.768 5.475 -13.365 1.00 0.00 C ATOM 644 CG ASP A 554 2.480 4.375 -14.160 1.00 0.00 C ATOM 645 OD1 ASP A 554 1.802 3.619 -14.834 1.00 0.00 O ATOM 646 OD2 ASP A 554 3.696 4.313 -14.084 1.00 0.00 O ATOM 0 H ASP A 554 0.935 3.426 -12.218 1.00 0.00 H new ATOM 0 HA ASP A 554 -0.226 5.852 -12.568 1.00 0.00 H new ATOM 0 HB2 ASP A 554 1.909 6.438 -13.856 1.00 0.00 H new ATOM 0 HB3 ASP A 554 2.207 5.557 -12.371 1.00 0.00 H new ATOM 651 N LYS A 555 -1.649 5.560 -14.666 1.00 0.00 N ATOM 652 CA LYS A 555 -2.325 5.788 -15.970 1.00 0.00 C ATOM 653 C LYS A 555 -2.287 4.532 -16.860 1.00 0.00 C ATOM 654 O LYS A 555 -2.751 4.555 -17.983 1.00 0.00 O ATOM 655 CB LYS A 555 -1.619 6.954 -16.654 1.00 0.00 C ATOM 656 CG LYS A 555 -1.342 8.041 -15.608 1.00 0.00 C ATOM 657 CD LYS A 555 0.165 8.252 -15.463 1.00 0.00 C ATOM 658 CE LYS A 555 0.518 8.338 -13.976 1.00 0.00 C ATOM 659 NZ LYS A 555 0.063 9.650 -13.434 1.00 0.00 N ATOM 0 H LYS A 555 -2.257 5.607 -13.848 1.00 0.00 H new ATOM 0 HA LYS A 555 -3.378 6.016 -15.803 1.00 0.00 H new ATOM 0 HB2 LYS A 555 -0.686 6.618 -17.107 1.00 0.00 H new ATOM 0 HB3 LYS A 555 -2.238 7.352 -17.458 1.00 0.00 H new ATOM 0 HG2 LYS A 555 -1.822 8.974 -15.904 1.00 0.00 H new ATOM 0 HG3 LYS A 555 -1.772 7.753 -14.649 1.00 0.00 H new ATOM 0 HD2 LYS A 555 0.707 7.430 -15.931 1.00 0.00 H new ATOM 0 HD3 LYS A 555 0.468 9.166 -15.975 1.00 0.00 H new ATOM 0 HE2 LYS A 555 0.043 7.522 -13.431 1.00 0.00 H new ATOM 0 HE3 LYS A 555 1.594 8.229 -13.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 555 0.317 9.717 -12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 555 0.523 10.421 -13.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 555 -0.969 9.729 -13.536 1.00 0.00 H new ATOM 730 N ASP A 560 -3.766 -2.344 -12.407 1.00 0.00 N ATOM 731 CA ASP A 560 -2.480 -1.619 -12.076 1.00 0.00 C ATOM 732 C ASP A 560 -1.153 -2.454 -12.142 1.00 0.00 C ATOM 733 O ASP A 560 -0.692 -2.840 -11.123 1.00 0.00 O ATOM 734 CB ASP A 560 -2.620 -1.166 -10.636 1.00 0.00 C ATOM 735 CG ASP A 560 -3.134 -2.328 -9.785 1.00 0.00 C ATOM 736 OD1 ASP A 560 -3.174 -3.436 -10.295 1.00 0.00 O ATOM 737 OD2 ASP A 560 -3.478 -2.091 -8.639 1.00 0.00 O ATOM 0 HA ASP A 560 -2.374 -0.839 -12.830 1.00 0.00 H new ATOM 0 HB2 ASP A 560 -1.658 -0.821 -10.257 1.00 0.00 H new ATOM 0 HB3 ASP A 560 -3.308 -0.323 -10.574 1.00 0.00 H new ATOM 742 N PRO A 561 -0.526 -2.682 -13.283 1.00 0.00 N ATOM 743 CA PRO A 561 0.759 -3.455 -13.333 1.00 0.00 C ATOM 744 C PRO A 561 2.006 -2.721 -12.743 1.00 0.00 C ATOM 745 O PRO A 561 2.906 -3.355 -12.255 1.00 0.00 O ATOM 746 CB PRO A 561 0.936 -3.771 -14.810 1.00 0.00 C ATOM 747 CG PRO A 561 0.079 -2.751 -15.576 1.00 0.00 C ATOM 748 CD PRO A 561 -0.998 -2.243 -14.597 1.00 0.00 C ATOM 0 HA PRO A 561 0.693 -4.338 -12.697 1.00 0.00 H new ATOM 0 HB2 PRO A 561 1.984 -3.695 -15.101 1.00 0.00 H new ATOM 0 HB3 PRO A 561 0.617 -4.790 -15.030 1.00 0.00 H new ATOM 0 HG2 PRO A 561 0.692 -1.925 -15.937 1.00 0.00 H new ATOM 0 HG3 PRO A 561 -0.381 -3.212 -16.450 1.00 0.00 H new ATOM 0 HD2 PRO A 561 -1.097 -1.158 -14.642 1.00 0.00 H new ATOM 0 HD3 PRO A 561 -1.977 -2.663 -14.829 1.00 0.00 H new ATOM 756 N LEU A 562 2.084 -1.425 -12.723 1.00 0.00 N ATOM 757 CA LEU A 562 3.297 -0.791 -12.057 1.00 0.00 C ATOM 758 C LEU A 562 2.851 -0.146 -10.767 1.00 0.00 C ATOM 759 O LEU A 562 3.664 0.257 -9.977 1.00 0.00 O ATOM 760 CB LEU A 562 4.093 0.211 -12.906 1.00 0.00 C ATOM 761 CG LEU A 562 3.361 1.539 -13.128 1.00 0.00 C ATOM 762 CD1 LEU A 562 1.867 1.411 -12.890 1.00 0.00 C ATOM 763 CD2 LEU A 562 3.913 2.605 -12.179 1.00 0.00 C ATOM 0 H LEU A 562 1.399 -0.780 -13.117 1.00 0.00 H new ATOM 0 HA LEU A 562 4.002 -1.605 -11.890 1.00 0.00 H new ATOM 0 HB2 LEU A 562 5.049 0.408 -12.420 1.00 0.00 H new ATOM 0 HB3 LEU A 562 4.314 -0.239 -13.874 1.00 0.00 H new ATOM 0 HG LEU A 562 3.525 1.825 -14.167 1.00 0.00 H new ATOM 0 HD11 LEU A 562 1.388 2.375 -13.058 1.00 0.00 H new ATOM 0 HD12 LEU A 562 1.451 0.674 -13.577 1.00 0.00 H new ATOM 0 HD13 LEU A 562 1.688 1.091 -11.863 1.00 0.00 H new ATOM 0 HD21 LEU A 562 3.387 3.546 -12.343 1.00 0.00 H new ATOM 0 HD22 LEU A 562 3.768 2.284 -11.147 1.00 0.00 H new ATOM 0 HD23 LEU A 562 4.977 2.746 -12.369 1.00 0.00 H new ATOM 775 N TRP A 563 1.563 -0.175 -10.516 1.00 0.00 N ATOM 776 CA TRP A 563 0.995 0.303 -9.219 1.00 0.00 C ATOM 777 C TRP A 563 1.581 1.661 -8.674 1.00 0.00 C ATOM 778 O TRP A 563 2.725 2.003 -8.872 1.00 0.00 O ATOM 779 CB TRP A 563 1.252 -0.814 -8.222 1.00 0.00 C ATOM 780 CG TRP A 563 1.249 -2.177 -8.913 1.00 0.00 C ATOM 781 CD1 TRP A 563 2.219 -2.666 -9.741 1.00 0.00 C ATOM 782 CD2 TRP A 563 0.234 -3.214 -8.870 1.00 0.00 C ATOM 783 NE1 TRP A 563 1.903 -3.953 -10.127 1.00 0.00 N ATOM 784 CE2 TRP A 563 0.685 -4.335 -9.625 1.00 0.00 C ATOM 785 CE3 TRP A 563 -1.013 -3.306 -8.248 1.00 0.00 C ATOM 786 CZ2 TRP A 563 -0.077 -5.486 -9.739 1.00 0.00 C ATOM 787 CZ3 TRP A 563 -1.778 -4.472 -8.376 1.00 0.00 C ATOM 788 CH2 TRP A 563 -1.308 -5.555 -9.113 1.00 0.00 C ATOM 0 H TRP A 563 0.866 -0.520 -11.176 1.00 0.00 H new ATOM 0 HA TRP A 563 -0.061 0.525 -9.373 1.00 0.00 H new ATOM 0 HB2 TRP A 563 2.212 -0.654 -7.730 1.00 0.00 H new ATOM 0 HB3 TRP A 563 0.488 -0.795 -7.444 1.00 0.00 H new ATOM 0 HD1 TRP A 563 3.102 -2.126 -10.048 1.00 0.00 H new ATOM 0 HE1 TRP A 563 2.497 -4.543 -10.709 1.00 0.00 H new ATOM 0 HE3 TRP A 563 -1.388 -2.476 -7.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 563 0.288 -6.325 -10.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 563 -2.744 -4.532 -7.897 1.00 0.00 H new ATOM 0 HH2 TRP A 563 -1.906 -6.451 -9.196 1.00 0.00 H new ATOM 799 N TYR A 564 0.783 2.438 -7.953 1.00 0.00 N ATOM 800 CA TYR A 564 1.275 3.741 -7.381 1.00 0.00 C ATOM 801 C TYR A 564 0.320 4.102 -6.232 1.00 0.00 C ATOM 802 O TYR A 564 -0.450 3.257 -5.834 1.00 0.00 O ATOM 803 CB TYR A 564 1.254 4.831 -8.484 1.00 0.00 C ATOM 804 CG TYR A 564 -0.116 4.890 -9.140 1.00 0.00 C ATOM 805 CD1 TYR A 564 -1.190 4.283 -8.515 1.00 0.00 C ATOM 806 CD2 TYR A 564 -0.320 5.554 -10.357 1.00 0.00 C ATOM 807 CE1 TYR A 564 -2.447 4.316 -9.052 1.00 0.00 C ATOM 808 CE2 TYR A 564 -1.612 5.592 -10.919 1.00 0.00 C ATOM 809 CZ TYR A 564 -2.678 4.972 -10.260 1.00 0.00 C ATOM 810 OH TYR A 564 -3.947 5.006 -10.803 1.00 0.00 O ATOM 0 H TYR A 564 -0.190 2.220 -7.739 1.00 0.00 H new ATOM 0 HA TYR A 564 2.299 3.664 -7.015 1.00 0.00 H new ATOM 0 HB2 TYR A 564 1.500 5.801 -8.051 1.00 0.00 H new ATOM 0 HB3 TYR A 564 2.015 4.614 -9.234 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -1.032 3.769 -7.578 1.00 0.00 H new ATOM 0 HD2 TYR A 564 0.507 6.033 -10.861 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -3.264 3.832 -8.538 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -1.778 6.099 -11.858 1.00 0.00 H new ATOM 0 HH TYR A 564 -3.929 5.505 -11.646 1.00 0.00 H new ATOM 820 N VAL A 565 0.293 5.316 -5.725 1.00 0.00 N ATOM 821 CA VAL A 565 -0.725 5.620 -4.654 1.00 0.00 C ATOM 822 C VAL A 565 -0.488 6.968 -3.967 1.00 0.00 C ATOM 823 O VAL A 565 0.594 7.518 -3.950 1.00 0.00 O ATOM 824 CB VAL A 565 -0.745 4.506 -3.592 1.00 0.00 C ATOM 825 CG1 VAL A 565 0.680 4.078 -3.272 1.00 0.00 C ATOM 826 CG2 VAL A 565 -1.435 4.987 -2.307 1.00 0.00 C ATOM 0 H VAL A 565 0.906 6.086 -5.992 1.00 0.00 H new ATOM 0 HA VAL A 565 -1.689 5.673 -5.160 1.00 0.00 H new ATOM 0 HB VAL A 565 -1.305 3.660 -3.992 1.00 0.00 H new ATOM 0 HG11 VAL A 565 0.663 3.289 -2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 565 1.160 3.706 -4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 565 1.239 4.932 -2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 565 -1.437 4.182 -1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 565 -0.897 5.845 -1.904 1.00 0.00 H new ATOM 0 HG23 VAL A 565 -2.462 5.275 -2.532 1.00 0.00 H new ATOM 836 N THR A 566 -1.542 7.457 -3.369 1.00 0.00 N ATOM 837 CA THR A 566 -1.513 8.736 -2.605 1.00 0.00 C ATOM 838 C THR A 566 -2.733 8.718 -1.679 1.00 0.00 C ATOM 839 O THR A 566 -3.739 9.344 -1.950 1.00 0.00 O ATOM 840 CB THR A 566 -1.604 9.932 -3.556 1.00 0.00 C ATOM 841 OG1 THR A 566 -0.430 9.991 -4.353 1.00 0.00 O ATOM 842 CG2 THR A 566 -1.737 11.223 -2.741 1.00 0.00 C ATOM 0 H THR A 566 -2.455 7.003 -3.381 1.00 0.00 H new ATOM 0 HA THR A 566 -0.584 8.830 -2.043 1.00 0.00 H new ATOM 0 HB THR A 566 -2.475 9.820 -4.201 1.00 0.00 H new ATOM 0 HG1 THR A 566 0.121 9.198 -4.184 1.00 0.00 H new ATOM 0 HG21 THR A 566 -1.802 12.075 -3.417 1.00 0.00 H new ATOM 0 HG22 THR A 566 -2.638 11.176 -2.129 1.00 0.00 H new ATOM 0 HG23 THR A 566 -0.866 11.337 -2.096 1.00 0.00 H new ATOM 850 N VAL A 567 -2.668 7.966 -0.611 1.00 0.00 N ATOM 851 CA VAL A 567 -3.848 7.865 0.303 1.00 0.00 C ATOM 852 C VAL A 567 -3.636 8.719 1.554 1.00 0.00 C ATOM 853 O VAL A 567 -2.831 9.628 1.568 1.00 0.00 O ATOM 854 CB VAL A 567 -4.049 6.401 0.713 1.00 0.00 C ATOM 855 CG1 VAL A 567 -5.535 6.135 0.962 1.00 0.00 C ATOM 856 CG2 VAL A 567 -3.556 5.481 -0.406 1.00 0.00 C ATOM 0 H VAL A 567 -1.853 7.419 -0.332 1.00 0.00 H new ATOM 0 HA VAL A 567 -4.731 8.229 -0.223 1.00 0.00 H new ATOM 0 HB VAL A 567 -3.484 6.205 1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 567 -5.674 5.094 1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 567 -5.892 6.786 1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 567 -6.098 6.335 0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 567 -3.700 4.441 -0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 567 -4.120 5.682 -1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 567 -2.497 5.664 -0.587 1.00 0.00 H new ATOM 866 N THR A 568 -4.367 8.439 2.605 1.00 0.00 N ATOM 867 CA THR A 568 -4.224 9.238 3.852 1.00 0.00 C ATOM 868 C THR A 568 -4.039 8.313 5.058 1.00 0.00 C ATOM 869 O THR A 568 -4.231 7.116 4.981 1.00 0.00 O ATOM 870 CB THR A 568 -5.480 10.090 4.054 1.00 0.00 C ATOM 871 OG1 THR A 568 -6.607 9.398 3.534 1.00 0.00 O ATOM 872 CG2 THR A 568 -5.317 11.425 3.326 1.00 0.00 C ATOM 0 H THR A 568 -5.057 7.689 2.649 1.00 0.00 H new ATOM 0 HA THR A 568 -3.349 9.881 3.762 1.00 0.00 H new ATOM 0 HB THR A 568 -5.626 10.276 5.118 1.00 0.00 H new ATOM 0 HG1 THR A 568 -7.413 9.941 3.664 1.00 0.00 H new ATOM 0 HG21 THR A 568 -6.212 12.030 3.471 1.00 0.00 H new ATOM 0 HG22 THR A 568 -4.452 11.954 3.726 1.00 0.00 H new ATOM 0 HG23 THR A 568 -5.170 11.243 2.261 1.00 0.00 H new ATOM 880 N LEU A 569 -3.664 8.877 6.171 1.00 0.00 N ATOM 881 CA LEU A 569 -3.451 8.076 7.409 1.00 0.00 C ATOM 882 C LEU A 569 -3.512 9.046 8.600 1.00 0.00 C ATOM 883 O LEU A 569 -2.498 9.511 9.080 1.00 0.00 O ATOM 884 CB LEU A 569 -2.077 7.391 7.318 1.00 0.00 C ATOM 885 CG LEU A 569 -1.854 6.401 8.472 1.00 0.00 C ATOM 886 CD1 LEU A 569 -1.662 7.160 9.787 1.00 0.00 C ATOM 887 CD2 LEU A 569 -3.044 5.429 8.600 1.00 0.00 C ATOM 0 H LEU A 569 -3.493 9.877 6.277 1.00 0.00 H new ATOM 0 HA LEU A 569 -4.210 7.304 7.532 1.00 0.00 H new ATOM 0 HB2 LEU A 569 -1.996 6.865 6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 569 -1.292 8.147 7.332 1.00 0.00 H new ATOM 0 HG LEU A 569 -0.956 5.823 8.255 1.00 0.00 H new ATOM 0 HD11 LEU A 569 -1.505 6.449 10.598 1.00 0.00 H new ATOM 0 HD12 LEU A 569 -0.795 7.815 9.706 1.00 0.00 H new ATOM 0 HD13 LEU A 569 -2.550 7.757 9.995 1.00 0.00 H new ATOM 0 HD21 LEU A 569 -2.863 4.738 9.423 1.00 0.00 H new ATOM 0 HD22 LEU A 569 -3.956 5.994 8.794 1.00 0.00 H new ATOM 0 HD23 LEU A 569 -3.156 4.867 7.673 1.00 0.00 H new ATOM 899 N PRO A 570 -4.719 9.355 9.010 1.00 0.00 N ATOM 900 CA PRO A 570 -4.973 10.295 10.119 1.00 0.00 C ATOM 901 C PRO A 570 -4.805 9.618 11.481 1.00 0.00 C ATOM 902 O PRO A 570 -5.676 8.907 11.943 1.00 0.00 O ATOM 903 CB PRO A 570 -6.429 10.712 9.904 1.00 0.00 C ATOM 904 CG PRO A 570 -7.088 9.587 9.069 1.00 0.00 C ATOM 905 CD PRO A 570 -5.944 8.807 8.395 1.00 0.00 C ATOM 0 HA PRO A 570 -4.277 11.134 10.121 1.00 0.00 H new ATOM 0 HB2 PRO A 570 -6.941 10.839 10.858 1.00 0.00 H new ATOM 0 HB3 PRO A 570 -6.486 11.667 9.382 1.00 0.00 H new ATOM 0 HG2 PRO A 570 -7.682 8.930 9.705 1.00 0.00 H new ATOM 0 HG3 PRO A 570 -7.764 10.004 8.323 1.00 0.00 H new ATOM 0 HD2 PRO A 570 -6.034 7.735 8.573 1.00 0.00 H new ATOM 0 HD3 PRO A 570 -5.946 8.952 7.315 1.00 0.00 H new ATOM 913 N ALA A 571 -3.699 9.846 12.135 1.00 0.00 N ATOM 914 CA ALA A 571 -3.490 9.228 13.474 1.00 0.00 C ATOM 915 C ALA A 571 -2.371 9.972 14.219 1.00 0.00 C ATOM 916 O ALA A 571 -2.611 10.642 15.204 1.00 0.00 O ATOM 917 CB ALA A 571 -3.131 7.753 13.301 1.00 0.00 C ATOM 0 H ALA A 571 -2.934 10.432 11.801 1.00 0.00 H new ATOM 0 HA ALA A 571 -4.406 9.302 14.061 1.00 0.00 H new ATOM 0 HB1 ALA A 571 -2.978 7.299 14.280 1.00 0.00 H new ATOM 0 HB2 ALA A 571 -3.942 7.239 12.786 1.00 0.00 H new ATOM 0 HB3 ALA A 571 -2.217 7.668 12.714 1.00 0.00 H new ATOM 923 N GLY A 572 -1.151 9.871 13.753 1.00 0.00 N ATOM 924 CA GLY A 572 -0.024 10.585 14.433 1.00 0.00 C ATOM 925 C GLY A 572 0.669 9.654 15.438 1.00 0.00 C ATOM 926 O GLY A 572 0.681 9.910 16.625 1.00 0.00 O ATOM 0 H GLY A 572 -0.886 9.326 12.932 1.00 0.00 H new ATOM 0 HA2 GLY A 572 0.696 10.931 13.691 1.00 0.00 H new ATOM 0 HA3 GLY A 572 -0.402 11.469 14.947 1.00 0.00 H new ATOM 930 N GLU A 573 1.252 8.581 14.971 1.00 0.00 N ATOM 931 CA GLU A 573 1.953 7.643 15.901 1.00 0.00 C ATOM 932 C GLU A 573 2.865 6.700 15.105 1.00 0.00 C ATOM 933 O GLU A 573 3.051 6.857 13.915 1.00 0.00 O ATOM 934 CB GLU A 573 0.916 6.818 16.667 1.00 0.00 C ATOM 935 CG GLU A 573 1.298 6.765 18.148 1.00 0.00 C ATOM 936 CD GLU A 573 0.072 6.381 18.978 1.00 0.00 C ATOM 937 OE1 GLU A 573 -0.981 6.191 18.392 1.00 0.00 O ATOM 938 OE2 GLU A 573 0.207 6.284 20.187 1.00 0.00 O ATOM 0 H GLU A 573 1.274 8.313 13.987 1.00 0.00 H new ATOM 0 HA GLU A 573 2.557 8.219 16.602 1.00 0.00 H new ATOM 0 HB2 GLU A 573 -0.073 7.260 16.551 1.00 0.00 H new ATOM 0 HB3 GLU A 573 0.864 5.809 16.258 1.00 0.00 H new ATOM 0 HG2 GLU A 573 2.097 6.040 18.303 1.00 0.00 H new ATOM 0 HG3 GLU A 573 1.680 7.733 18.471 1.00 0.00 H new ATOM 945 N SER A 574 3.408 5.698 15.753 1.00 0.00 N ATOM 946 CA SER A 574 4.278 4.715 15.037 1.00 0.00 C ATOM 947 C SER A 574 3.381 3.737 14.308 1.00 0.00 C ATOM 948 O SER A 574 2.735 2.887 14.887 1.00 0.00 O ATOM 949 CB SER A 574 5.161 3.969 16.038 1.00 0.00 C ATOM 950 OG SER A 574 6.341 3.523 15.382 1.00 0.00 O ATOM 0 H SER A 574 3.285 5.519 16.750 1.00 0.00 H new ATOM 0 HA SER A 574 4.926 5.232 14.329 1.00 0.00 H new ATOM 0 HB2 SER A 574 5.419 4.623 16.871 1.00 0.00 H new ATOM 0 HB3 SER A 574 4.620 3.120 16.455 1.00 0.00 H new ATOM 0 HG SER A 574 7.110 4.038 15.706 1.00 0.00 H new ATOM 956 N PHE A 575 3.338 3.888 13.031 1.00 0.00 N ATOM 957 CA PHE A 575 2.495 3.031 12.181 1.00 0.00 C ATOM 958 C PHE A 575 3.385 1.995 11.498 1.00 0.00 C ATOM 959 O PHE A 575 4.416 2.327 10.931 1.00 0.00 O ATOM 960 CB PHE A 575 1.875 3.943 11.146 1.00 0.00 C ATOM 961 CG PHE A 575 1.068 4.988 11.871 1.00 0.00 C ATOM 962 CD1 PHE A 575 0.330 4.636 13.010 1.00 0.00 C ATOM 963 CD2 PHE A 575 1.089 6.315 11.433 1.00 0.00 C ATOM 964 CE1 PHE A 575 -0.389 5.611 13.704 1.00 0.00 C ATOM 965 CE2 PHE A 575 0.375 7.291 12.135 1.00 0.00 C ATOM 966 CZ PHE A 575 -0.364 6.938 13.269 1.00 0.00 C ATOM 0 H PHE A 575 3.870 4.594 12.522 1.00 0.00 H new ATOM 0 HA PHE A 575 1.727 2.509 12.752 1.00 0.00 H new ATOM 0 HB2 PHE A 575 2.649 4.412 10.539 1.00 0.00 H new ATOM 0 HB3 PHE A 575 1.240 3.373 10.468 1.00 0.00 H new ATOM 0 HD1 PHE A 575 0.318 3.611 13.350 1.00 0.00 H new ATOM 0 HD2 PHE A 575 1.655 6.586 10.554 1.00 0.00 H new ATOM 0 HE1 PHE A 575 -0.964 5.339 14.577 1.00 0.00 H new ATOM 0 HE2 PHE A 575 0.394 8.318 11.801 1.00 0.00 H new ATOM 0 HZ PHE A 575 -0.916 7.693 13.809 1.00 0.00 H new ATOM 976 N GLU A 576 2.991 0.756 11.518 1.00 0.00 N ATOM 977 CA GLU A 576 3.816 -0.283 10.843 1.00 0.00 C ATOM 978 C GLU A 576 3.540 -0.141 9.366 1.00 0.00 C ATOM 979 O GLU A 576 2.612 0.544 8.980 1.00 0.00 O ATOM 980 CB GLU A 576 3.452 -1.699 11.305 1.00 0.00 C ATOM 981 CG GLU A 576 3.952 -1.931 12.737 1.00 0.00 C ATOM 982 CD GLU A 576 3.587 -0.737 13.622 1.00 0.00 C ATOM 983 OE1 GLU A 576 4.265 0.273 13.529 1.00 0.00 O ATOM 984 OE2 GLU A 576 2.638 -0.855 14.379 1.00 0.00 O ATOM 0 H GLU A 576 2.141 0.418 11.968 1.00 0.00 H new ATOM 0 HA GLU A 576 4.869 -0.141 11.085 1.00 0.00 H new ATOM 0 HB2 GLU A 576 2.372 -1.838 11.262 1.00 0.00 H new ATOM 0 HB3 GLU A 576 3.895 -2.434 10.633 1.00 0.00 H new ATOM 0 HG2 GLU A 576 3.510 -2.842 13.142 1.00 0.00 H new ATOM 0 HG3 GLU A 576 5.032 -2.075 12.734 1.00 0.00 H new ATOM 991 N TYR A 577 4.323 -0.735 8.528 1.00 0.00 N ATOM 992 CA TYR A 577 4.055 -0.563 7.089 1.00 0.00 C ATOM 993 C TYR A 577 4.334 -1.841 6.315 1.00 0.00 C ATOM 994 O TYR A 577 5.223 -1.911 5.489 1.00 0.00 O ATOM 995 CB TYR A 577 4.866 0.620 6.565 1.00 0.00 C ATOM 996 CG TYR A 577 3.995 1.854 6.668 1.00 0.00 C ATOM 997 CD1 TYR A 577 3.885 2.575 7.877 1.00 0.00 C ATOM 998 CD2 TYR A 577 3.261 2.261 5.549 1.00 0.00 C ATOM 999 CE1 TYR A 577 3.048 3.693 7.940 1.00 0.00 C ATOM 1000 CE2 TYR A 577 2.425 3.378 5.624 1.00 0.00 C ATOM 1001 CZ TYR A 577 2.318 4.093 6.817 1.00 0.00 C ATOM 1002 OH TYR A 577 1.492 5.196 6.890 1.00 0.00 O ATOM 0 H TYR A 577 5.122 -1.321 8.770 1.00 0.00 H new ATOM 0 HA TYR A 577 2.997 -0.347 6.943 1.00 0.00 H new ATOM 0 HB2 TYR A 577 5.779 0.746 7.147 1.00 0.00 H new ATOM 0 HB3 TYR A 577 5.168 0.450 5.532 1.00 0.00 H new ATOM 0 HD1 TYR A 577 4.444 2.265 8.748 1.00 0.00 H new ATOM 0 HD2 TYR A 577 3.341 1.710 4.624 1.00 0.00 H new ATOM 0 HE1 TYR A 577 2.965 4.251 8.861 1.00 0.00 H new ATOM 0 HE2 TYR A 577 1.861 3.688 4.757 1.00 0.00 H new ATOM 0 HH TYR A 577 1.059 5.338 6.023 1.00 0.00 H new ATOM 1012 N LYS A 578 3.530 -2.841 6.554 1.00 0.00 N ATOM 1013 CA LYS A 578 3.678 -4.114 5.813 1.00 0.00 C ATOM 1014 C LYS A 578 3.001 -3.918 4.461 1.00 0.00 C ATOM 1015 O LYS A 578 1.836 -3.568 4.379 1.00 0.00 O ATOM 1016 CB LYS A 578 2.991 -5.246 6.580 1.00 0.00 C ATOM 1017 CG LYS A 578 4.019 -6.321 6.935 1.00 0.00 C ATOM 1018 CD LYS A 578 5.245 -5.665 7.574 1.00 0.00 C ATOM 1019 CE LYS A 578 5.450 -6.228 8.981 1.00 0.00 C ATOM 1020 NZ LYS A 578 6.788 -6.879 9.066 1.00 0.00 N ATOM 0 H LYS A 578 2.773 -2.825 7.237 1.00 0.00 H new ATOM 0 HA LYS A 578 4.729 -4.377 5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 578 2.529 -4.856 7.487 1.00 0.00 H new ATOM 0 HB3 LYS A 578 2.193 -5.677 5.975 1.00 0.00 H new ATOM 0 HG2 LYS A 578 3.581 -7.045 7.622 1.00 0.00 H new ATOM 0 HG3 LYS A 578 4.312 -6.869 6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 578 6.129 -5.851 6.964 1.00 0.00 H new ATOM 0 HD3 LYS A 578 5.110 -4.584 7.619 1.00 0.00 H new ATOM 0 HE2 LYS A 578 5.375 -5.429 9.718 1.00 0.00 H new ATOM 0 HE3 LYS A 578 4.667 -6.950 9.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 578 7.021 -7.065 10.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 578 6.771 -7.777 8.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 578 7.507 -6.250 8.654 1.00 0.00 H new ATOM 1034 N PHE A 579 3.706 -4.117 3.395 1.00 0.00 N ATOM 1035 CA PHE A 579 3.075 -3.908 2.076 1.00 0.00 C ATOM 1036 C PHE A 579 2.455 -5.198 1.615 1.00 0.00 C ATOM 1037 O PHE A 579 2.962 -6.277 1.849 1.00 0.00 O ATOM 1038 CB PHE A 579 4.123 -3.427 1.078 1.00 0.00 C ATOM 1039 CG PHE A 579 3.433 -3.086 -0.207 1.00 0.00 C ATOM 1040 CD1 PHE A 579 2.815 -4.097 -0.937 1.00 0.00 C ATOM 1041 CD2 PHE A 579 3.396 -1.768 -0.664 1.00 0.00 C ATOM 1042 CE1 PHE A 579 2.168 -3.811 -2.111 1.00 0.00 C ATOM 1043 CE2 PHE A 579 2.738 -1.478 -1.859 1.00 0.00 C ATOM 1044 CZ PHE A 579 2.125 -2.510 -2.577 1.00 0.00 C ATOM 0 H PHE A 579 4.682 -4.412 3.378 1.00 0.00 H new ATOM 0 HA PHE A 579 2.296 -3.149 2.151 1.00 0.00 H new ATOM 0 HB2 PHE A 579 4.647 -2.555 1.470 1.00 0.00 H new ATOM 0 HB3 PHE A 579 4.872 -4.201 0.912 1.00 0.00 H new ATOM 0 HD1 PHE A 579 2.845 -5.114 -0.576 1.00 0.00 H new ATOM 0 HD2 PHE A 579 3.872 -0.981 -0.098 1.00 0.00 H new ATOM 0 HE1 PHE A 579 1.692 -4.602 -2.672 1.00 0.00 H new ATOM 0 HE2 PHE A 579 2.702 -0.463 -2.227 1.00 0.00 H new ATOM 0 HZ PHE A 579 1.614 -2.289 -3.503 1.00 0.00 H new ATOM 1054 N ILE A 580 1.343 -5.087 0.966 1.00 0.00 N ATOM 1055 CA ILE A 580 0.661 -6.293 0.491 1.00 0.00 C ATOM 1056 C ILE A 580 0.302 -6.157 -0.978 1.00 0.00 C ATOM 1057 O ILE A 580 -0.032 -5.098 -1.446 1.00 0.00 O ATOM 1058 CB ILE A 580 -0.607 -6.478 1.322 1.00 0.00 C ATOM 1059 CG1 ILE A 580 -1.620 -5.429 0.854 1.00 0.00 C ATOM 1060 CG2 ILE A 580 -0.282 -6.293 2.812 1.00 0.00 C ATOM 1061 CD1 ILE A 580 -2.467 -4.888 2.000 1.00 0.00 C ATOM 0 H ILE A 580 0.879 -4.206 0.746 1.00 0.00 H new ATOM 0 HA ILE A 580 1.317 -7.157 0.599 1.00 0.00 H new ATOM 0 HB ILE A 580 -1.018 -7.479 1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 580 -1.091 -4.605 0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 580 -2.272 -5.869 0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 580 -1.189 -6.426 3.401 1.00 0.00 H new ATOM 0 HG22 ILE A 580 0.460 -7.031 3.117 1.00 0.00 H new ATOM 0 HG23 ILE A 580 0.114 -5.291 2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 580 -3.169 -4.148 1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 580 -3.019 -5.706 2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 580 -1.819 -4.422 2.743 1.00 0.00 H new ATOM 1073 N ARG A 581 0.349 -7.239 -1.697 1.00 0.00 N ATOM 1074 CA ARG A 581 -0.015 -7.190 -3.131 1.00 0.00 C ATOM 1075 C ARG A 581 -1.335 -7.926 -3.308 1.00 0.00 C ATOM 1076 O ARG A 581 -1.393 -9.138 -3.272 1.00 0.00 O ATOM 1077 CB ARG A 581 1.074 -7.861 -3.972 1.00 0.00 C ATOM 1078 CG ARG A 581 0.547 -8.107 -5.387 1.00 0.00 C ATOM 1079 CD ARG A 581 1.721 -8.352 -6.336 1.00 0.00 C ATOM 1080 NE ARG A 581 2.289 -9.706 -6.083 1.00 0.00 N ATOM 1081 CZ ARG A 581 1.529 -10.762 -6.186 1.00 0.00 C ATOM 1082 NH1 ARG A 581 0.450 -10.720 -6.919 1.00 0.00 N ATOM 1083 NH2 ARG A 581 1.847 -11.859 -5.555 1.00 0.00 N ATOM 0 H ARG A 581 0.625 -8.157 -1.350 1.00 0.00 H new ATOM 0 HA ARG A 581 -0.112 -6.155 -3.459 1.00 0.00 H new ATOM 0 HB2 ARG A 581 1.962 -7.229 -4.008 1.00 0.00 H new ATOM 0 HB3 ARG A 581 1.372 -8.804 -3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 581 -0.123 -8.967 -5.392 1.00 0.00 H new ATOM 0 HG3 ARG A 581 -0.033 -7.248 -5.724 1.00 0.00 H new ATOM 0 HD2 ARG A 581 1.389 -8.273 -7.371 1.00 0.00 H new ATOM 0 HD3 ARG A 581 2.487 -7.591 -6.188 1.00 0.00 H new ATOM 0 HE ARG A 581 3.272 -9.808 -5.829 1.00 0.00 H new ATOM 0 HH11 ARG A 581 0.201 -9.862 -7.411 1.00 0.00 H new ATOM 0 HH12 ARG A 581 -0.144 -11.545 -7.000 1.00 0.00 H new ATOM 0 HH21 ARG A 581 2.690 -11.891 -4.981 1.00 0.00 H new ATOM 0 HH22 ARG A 581 1.253 -12.684 -5.636 1.00 0.00 H new ATOM 1097 N ILE A 582 -2.399 -7.204 -3.487 1.00 0.00 N ATOM 1098 CA ILE A 582 -3.722 -7.886 -3.642 1.00 0.00 C ATOM 1099 C ILE A 582 -3.834 -8.493 -5.046 1.00 0.00 C ATOM 1100 O ILE A 582 -3.309 -7.975 -6.011 1.00 0.00 O ATOM 1101 CB ILE A 582 -4.885 -6.909 -3.320 1.00 0.00 C ATOM 1102 CG1 ILE A 582 -5.686 -7.515 -2.182 1.00 0.00 C ATOM 1103 CG2 ILE A 582 -5.844 -6.711 -4.511 1.00 0.00 C ATOM 1104 CD1 ILE A 582 -6.167 -8.885 -2.645 1.00 0.00 C ATOM 0 H ILE A 582 -2.419 -6.185 -3.533 1.00 0.00 H new ATOM 0 HA ILE A 582 -3.796 -8.704 -2.925 1.00 0.00 H new ATOM 0 HB ILE A 582 -4.453 -5.939 -3.072 1.00 0.00 H new ATOM 0 HG12 ILE A 582 -5.072 -7.606 -1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 582 -6.532 -6.877 -1.925 1.00 0.00 H new ATOM 0 HG21 ILE A 582 -6.637 -6.019 -4.228 1.00 0.00 H new ATOM 0 HG22 ILE A 582 -5.292 -6.305 -5.359 1.00 0.00 H new ATOM 0 HG23 ILE A 582 -6.282 -7.670 -4.789 1.00 0.00 H new ATOM 0 HD11 ILE A 582 -6.749 -9.354 -1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 582 -6.790 -8.771 -3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 582 -5.307 -9.511 -2.883 1.00 0.00 H new ATOM 1116 N GLU A 583 -4.494 -9.620 -5.145 1.00 0.00 N ATOM 1117 CA GLU A 583 -4.623 -10.311 -6.459 1.00 0.00 C ATOM 1118 C GLU A 583 -6.058 -10.223 -6.978 1.00 0.00 C ATOM 1119 O GLU A 583 -6.966 -9.818 -6.281 1.00 0.00 O ATOM 1120 CB GLU A 583 -4.241 -11.782 -6.296 1.00 0.00 C ATOM 1121 CG GLU A 583 -3.728 -12.330 -7.629 1.00 0.00 C ATOM 1122 CD GLU A 583 -3.025 -13.668 -7.395 1.00 0.00 C ATOM 1123 OE1 GLU A 583 -3.077 -14.155 -6.277 1.00 0.00 O ATOM 1124 OE2 GLU A 583 -2.446 -14.184 -8.337 1.00 0.00 O ATOM 0 H GLU A 583 -4.951 -10.092 -4.365 1.00 0.00 H new ATOM 0 HA GLU A 583 -3.959 -9.825 -7.174 1.00 0.00 H new ATOM 0 HB2 GLU A 583 -3.473 -11.886 -5.529 1.00 0.00 H new ATOM 0 HB3 GLU A 583 -5.105 -12.358 -5.963 1.00 0.00 H new ATOM 0 HG2 GLU A 583 -4.557 -12.460 -8.324 1.00 0.00 H new ATOM 0 HG3 GLU A 583 -3.038 -11.620 -8.085 1.00 0.00 H new ATOM 1131 N SER A 584 -6.253 -10.596 -8.212 1.00 0.00 N ATOM 1132 CA SER A 584 -7.612 -10.539 -8.817 1.00 0.00 C ATOM 1133 C SER A 584 -8.332 -11.877 -8.622 1.00 0.00 C ATOM 1134 O SER A 584 -9.544 -11.950 -8.668 1.00 0.00 O ATOM 1135 CB SER A 584 -7.484 -10.240 -10.315 1.00 0.00 C ATOM 1136 OG SER A 584 -8.749 -10.416 -10.938 1.00 0.00 O ATOM 0 H SER A 584 -5.521 -10.941 -8.833 1.00 0.00 H new ATOM 0 HA SER A 584 -8.189 -9.753 -8.330 1.00 0.00 H new ATOM 0 HB2 SER A 584 -7.130 -9.220 -10.465 1.00 0.00 H new ATOM 0 HB3 SER A 584 -6.747 -10.903 -10.768 1.00 0.00 H new ATOM 0 HG SER A 584 -8.671 -10.224 -11.896 1.00 0.00 H new ATOM 1142 N ASP A 585 -7.600 -12.943 -8.426 1.00 0.00 N ATOM 1143 CA ASP A 585 -8.237 -14.265 -8.256 1.00 0.00 C ATOM 1144 C ASP A 585 -8.076 -14.762 -6.815 1.00 0.00 C ATOM 1145 O ASP A 585 -9.011 -14.755 -6.040 1.00 0.00 O ATOM 1146 CB ASP A 585 -7.577 -15.263 -9.208 1.00 0.00 C ATOM 1147 CG ASP A 585 -6.225 -14.739 -9.705 1.00 0.00 C ATOM 1148 OD1 ASP A 585 -6.224 -13.780 -10.460 1.00 0.00 O ATOM 1149 OD2 ASP A 585 -5.215 -15.305 -9.321 1.00 0.00 O ATOM 0 H ASP A 585 -6.581 -12.945 -8.377 1.00 0.00 H new ATOM 0 HA ASP A 585 -9.300 -14.175 -8.478 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -7.436 -16.217 -8.700 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -8.234 -15.448 -10.058 1.00 0.00 H new ATOM 1154 N ASP A 586 -6.903 -15.210 -6.456 1.00 0.00 N ATOM 1155 CA ASP A 586 -6.692 -15.725 -5.074 1.00 0.00 C ATOM 1156 C ASP A 586 -6.958 -14.611 -4.058 1.00 0.00 C ATOM 1157 O ASP A 586 -8.088 -14.347 -3.698 1.00 0.00 O ATOM 1158 CB ASP A 586 -5.253 -16.226 -4.931 1.00 0.00 C ATOM 1159 CG ASP A 586 -4.977 -16.577 -3.468 1.00 0.00 C ATOM 1160 OD1 ASP A 586 -5.933 -16.734 -2.727 1.00 0.00 O ATOM 1161 OD2 ASP A 586 -3.815 -16.682 -3.113 1.00 0.00 O ATOM 0 H ASP A 586 -6.082 -15.241 -7.061 1.00 0.00 H new ATOM 0 HA ASP A 586 -7.381 -16.548 -4.886 1.00 0.00 H new ATOM 0 HB2 ASP A 586 -5.097 -17.101 -5.562 1.00 0.00 H new ATOM 0 HB3 ASP A 586 -4.555 -15.461 -5.270 1.00 0.00 H new ATOM 1166 N SER A 587 -5.929 -13.951 -3.597 1.00 0.00 N ATOM 1167 CA SER A 587 -6.130 -12.853 -2.610 1.00 0.00 C ATOM 1168 C SER A 587 -4.851 -12.028 -2.491 1.00 0.00 C ATOM 1169 O SER A 587 -4.145 -11.829 -3.458 1.00 0.00 O ATOM 1170 CB SER A 587 -6.488 -13.425 -1.241 1.00 0.00 C ATOM 1171 OG SER A 587 -7.363 -14.533 -1.400 1.00 0.00 O ATOM 0 H SER A 587 -4.959 -14.125 -3.861 1.00 0.00 H new ATOM 0 HA SER A 587 -6.947 -12.220 -2.956 1.00 0.00 H new ATOM 0 HB2 SER A 587 -5.584 -13.735 -0.718 1.00 0.00 H new ATOM 0 HB3 SER A 587 -6.963 -12.659 -0.629 1.00 0.00 H new ATOM 0 HG SER A 587 -8.105 -14.282 -1.989 1.00 0.00 H new ATOM 1177 N VAL A 588 -4.553 -11.521 -1.323 1.00 0.00 N ATOM 1178 CA VAL A 588 -3.334 -10.680 -1.188 1.00 0.00 C ATOM 1179 C VAL A 588 -2.092 -11.529 -1.007 1.00 0.00 C ATOM 1180 O VAL A 588 -2.132 -12.707 -0.710 1.00 0.00 O ATOM 1181 CB VAL A 588 -3.409 -9.782 0.050 1.00 0.00 C ATOM 1182 CG1 VAL A 588 -2.728 -8.447 -0.242 1.00 0.00 C ATOM 1183 CG2 VAL A 588 -4.842 -9.535 0.475 1.00 0.00 C ATOM 0 H VAL A 588 -5.095 -11.652 -0.469 1.00 0.00 H new ATOM 0 HA VAL A 588 -3.280 -10.090 -2.103 1.00 0.00 H new ATOM 0 HB VAL A 588 -2.898 -10.293 0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 588 -2.783 -7.810 0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 588 -1.683 -8.620 -0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 588 -3.231 -7.957 -1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 588 -4.855 -8.894 1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 588 -5.383 -9.048 -0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 588 -5.321 -10.486 0.711 1.00 0.00 H new ATOM 1193 N GLU A 589 -0.988 -10.869 -1.113 1.00 0.00 N ATOM 1194 CA GLU A 589 0.325 -11.486 -0.885 1.00 0.00 C ATOM 1195 C GLU A 589 1.050 -10.484 0.004 1.00 0.00 C ATOM 1196 O GLU A 589 1.845 -9.690 -0.453 1.00 0.00 O ATOM 1197 CB GLU A 589 1.077 -11.663 -2.206 1.00 0.00 C ATOM 1198 CG GLU A 589 2.572 -11.718 -1.910 1.00 0.00 C ATOM 1199 CD GLU A 589 3.214 -12.878 -2.673 1.00 0.00 C ATOM 1200 OE1 GLU A 589 2.504 -13.818 -2.992 1.00 0.00 O ATOM 1201 OE2 GLU A 589 4.406 -12.807 -2.926 1.00 0.00 O ATOM 0 H GLU A 589 -0.945 -9.880 -1.360 1.00 0.00 H new ATOM 0 HA GLU A 589 0.250 -12.477 -0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 589 0.756 -12.578 -2.705 1.00 0.00 H new ATOM 0 HB3 GLU A 589 0.855 -10.837 -2.882 1.00 0.00 H new ATOM 0 HG2 GLU A 589 3.043 -10.778 -2.198 1.00 0.00 H new ATOM 0 HG3 GLU A 589 2.735 -11.842 -0.839 1.00 0.00 H new ATOM 1208 N TRP A 590 0.720 -10.463 1.256 1.00 0.00 N ATOM 1209 CA TRP A 590 1.330 -9.462 2.159 1.00 0.00 C ATOM 1210 C TRP A 590 2.844 -9.521 2.094 1.00 0.00 C ATOM 1211 O TRP A 590 3.479 -10.237 2.838 1.00 0.00 O ATOM 1212 CB TRP A 590 0.830 -9.695 3.584 1.00 0.00 C ATOM 1213 CG TRP A 590 -0.564 -9.167 3.649 1.00 0.00 C ATOM 1214 CD1 TRP A 590 -1.395 -9.117 2.593 1.00 0.00 C ATOM 1215 CD2 TRP A 590 -1.295 -8.608 4.774 1.00 0.00 C ATOM 1216 NE1 TRP A 590 -2.584 -8.538 2.975 1.00 0.00 N ATOM 1217 CE2 TRP A 590 -2.587 -8.227 4.330 1.00 0.00 C ATOM 1218 CE3 TRP A 590 -0.973 -8.396 6.121 1.00 0.00 C ATOM 1219 CZ2 TRP A 590 -3.520 -7.656 5.213 1.00 0.00 C ATOM 1220 CZ3 TRP A 590 -1.912 -7.823 6.988 1.00 0.00 C ATOM 1221 CH2 TRP A 590 -3.168 -7.460 6.547 1.00 0.00 C ATOM 0 H TRP A 590 0.052 -11.097 1.695 1.00 0.00 H new ATOM 0 HA TRP A 590 1.032 -8.464 1.838 1.00 0.00 H new ATOM 0 HB2 TRP A 590 0.852 -10.756 3.832 1.00 0.00 H new ATOM 0 HB3 TRP A 590 1.469 -9.186 4.305 1.00 0.00 H new ATOM 0 HD1 TRP A 590 -1.165 -9.475 1.600 1.00 0.00 H new ATOM 0 HE1 TRP A 590 -3.365 -8.360 2.343 1.00 0.00 H new ATOM 0 HE3 TRP A 590 0.002 -8.675 6.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 590 -4.501 -7.372 4.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 590 -1.648 -7.662 8.023 1.00 0.00 H new ATOM 0 HH2 TRP A 590 -3.878 -7.024 7.235 1.00 0.00 H new ATOM 1232 N GLU A 591 3.427 -8.737 1.223 1.00 0.00 N ATOM 1233 CA GLU A 591 4.901 -8.706 1.133 1.00 0.00 C ATOM 1234 C GLU A 591 5.361 -8.010 2.399 1.00 0.00 C ATOM 1235 O GLU A 591 5.435 -6.790 2.478 1.00 0.00 O ATOM 1236 CB GLU A 591 5.330 -7.916 -0.087 1.00 0.00 C ATOM 1237 CG GLU A 591 6.500 -8.617 -0.784 1.00 0.00 C ATOM 1238 CD GLU A 591 7.628 -8.879 0.214 1.00 0.00 C ATOM 1239 OE1 GLU A 591 7.353 -9.442 1.260 1.00 0.00 O ATOM 1240 OE2 GLU A 591 8.752 -8.520 -0.091 1.00 0.00 O ATOM 0 H GLU A 591 2.938 -8.120 0.574 1.00 0.00 H new ATOM 0 HA GLU A 591 5.329 -9.704 1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 591 4.493 -7.816 -0.778 1.00 0.00 H new ATOM 0 HB3 GLU A 591 5.623 -6.908 0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 591 6.163 -9.558 -1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 591 6.866 -8.000 -1.605 1.00 0.00 H new ATOM 1247 N SER A 592 5.600 -8.768 3.413 1.00 0.00 N ATOM 1248 CA SER A 592 5.981 -8.171 4.699 1.00 0.00 C ATOM 1249 C SER A 592 7.502 -8.205 4.843 1.00 0.00 C ATOM 1250 O SER A 592 8.039 -8.210 5.934 1.00 0.00 O ATOM 1251 CB SER A 592 5.277 -8.966 5.799 1.00 0.00 C ATOM 1252 OG SER A 592 5.553 -8.378 7.063 1.00 0.00 O ATOM 0 H SER A 592 5.547 -9.787 3.405 1.00 0.00 H new ATOM 0 HA SER A 592 5.678 -7.126 4.768 1.00 0.00 H new ATOM 0 HB2 SER A 592 4.202 -8.980 5.620 1.00 0.00 H new ATOM 0 HB3 SER A 592 5.616 -10.002 5.787 1.00 0.00 H new ATOM 0 HG SER A 592 5.100 -8.888 7.767 1.00 0.00 H new ATOM 1258 N ASP A 593 8.201 -8.195 3.734 1.00 0.00 N ATOM 1259 CA ASP A 593 9.688 -8.190 3.785 1.00 0.00 C ATOM 1260 C ASP A 593 10.162 -6.729 3.798 1.00 0.00 C ATOM 1261 O ASP A 593 10.642 -6.264 4.812 1.00 0.00 O ATOM 1262 CB ASP A 593 10.263 -8.941 2.582 1.00 0.00 C ATOM 1263 CG ASP A 593 10.676 -10.351 3.010 1.00 0.00 C ATOM 1264 OD1 ASP A 593 11.062 -10.512 4.156 1.00 0.00 O ATOM 1265 OD2 ASP A 593 10.599 -11.246 2.185 1.00 0.00 O ATOM 0 H ASP A 593 7.801 -8.190 2.796 1.00 0.00 H new ATOM 0 HA ASP A 593 10.037 -8.697 4.685 1.00 0.00 H new ATOM 0 HB2 ASP A 593 9.522 -8.994 1.785 1.00 0.00 H new ATOM 0 HB3 ASP A 593 11.123 -8.404 2.182 1.00 0.00 H new ATOM 1270 N PRO A 594 9.985 -6.021 2.695 1.00 0.00 N ATOM 1271 CA PRO A 594 10.364 -4.595 2.627 1.00 0.00 C ATOM 1272 C PRO A 594 9.310 -3.752 3.357 1.00 0.00 C ATOM 1273 O PRO A 594 8.439 -3.169 2.743 1.00 0.00 O ATOM 1274 CB PRO A 594 10.351 -4.283 1.130 1.00 0.00 C ATOM 1275 CG PRO A 594 9.429 -5.337 0.477 1.00 0.00 C ATOM 1276 CD PRO A 594 9.412 -6.548 1.427 1.00 0.00 C ATOM 0 HA PRO A 594 11.327 -4.380 3.090 1.00 0.00 H new ATOM 0 HB2 PRO A 594 9.981 -3.275 0.946 1.00 0.00 H new ATOM 0 HB3 PRO A 594 11.357 -4.334 0.713 1.00 0.00 H new ATOM 0 HG2 PRO A 594 8.424 -4.940 0.336 1.00 0.00 H new ATOM 0 HG3 PRO A 594 9.800 -5.621 -0.508 1.00 0.00 H new ATOM 0 HD2 PRO A 594 8.400 -6.926 1.573 1.00 0.00 H new ATOM 0 HD3 PRO A 594 10.006 -7.372 1.033 1.00 0.00 H new ATOM 1284 N ASN A 595 9.368 -3.695 4.661 1.00 0.00 N ATOM 1285 CA ASN A 595 8.353 -2.903 5.415 1.00 0.00 C ATOM 1286 C ASN A 595 8.988 -1.630 5.978 1.00 0.00 C ATOM 1287 O ASN A 595 10.178 -1.412 5.864 1.00 0.00 O ATOM 1288 CB ASN A 595 7.806 -3.749 6.567 1.00 0.00 C ATOM 1289 CG ASN A 595 8.884 -3.905 7.641 1.00 0.00 C ATOM 1290 OD1 ASN A 595 10.061 -3.884 7.344 1.00 0.00 O ATOM 1291 ND2 ASN A 595 8.528 -4.062 8.887 1.00 0.00 N ATOM 0 H ASN A 595 10.071 -4.161 5.235 1.00 0.00 H new ATOM 0 HA ASN A 595 7.543 -2.627 4.740 1.00 0.00 H new ATOM 0 HB2 ASN A 595 6.920 -3.276 6.991 1.00 0.00 H new ATOM 0 HB3 ASN A 595 7.499 -4.728 6.200 1.00 0.00 H new ATOM 0 HD21 ASN A 595 9.239 -4.167 9.611 1.00 0.00 H new ATOM 0 HD22 ASN A 595 7.539 -4.080 9.137 1.00 0.00 H new ATOM 1298 N ARG A 596 8.196 -0.789 6.587 1.00 0.00 N ATOM 1299 CA ARG A 596 8.740 0.474 7.163 1.00 0.00 C ATOM 1300 C ARG A 596 7.964 0.830 8.435 1.00 0.00 C ATOM 1301 O ARG A 596 7.206 0.034 8.954 1.00 0.00 O ATOM 1302 CB ARG A 596 8.590 1.604 6.141 1.00 0.00 C ATOM 1303 CG ARG A 596 9.825 1.646 5.239 1.00 0.00 C ATOM 1304 CD ARG A 596 10.921 2.476 5.910 1.00 0.00 C ATOM 1305 NE ARG A 596 10.808 3.895 5.472 1.00 0.00 N ATOM 1306 CZ ARG A 596 11.747 4.749 5.776 1.00 0.00 C ATOM 1307 NH1 ARG A 596 12.600 4.470 6.724 1.00 0.00 N ATOM 1308 NH2 ARG A 596 11.834 5.881 5.133 1.00 0.00 N ATOM 0 H ARG A 596 7.192 -0.923 6.711 1.00 0.00 H new ATOM 0 HA ARG A 596 9.794 0.340 7.406 1.00 0.00 H new ATOM 0 HB2 ARG A 596 7.694 1.449 5.541 1.00 0.00 H new ATOM 0 HB3 ARG A 596 8.469 2.558 6.654 1.00 0.00 H new ATOM 0 HG2 ARG A 596 10.185 0.635 5.050 1.00 0.00 H new ATOM 0 HG3 ARG A 596 9.567 2.078 4.272 1.00 0.00 H new ATOM 0 HD2 ARG A 596 10.829 2.411 6.994 1.00 0.00 H new ATOM 0 HD3 ARG A 596 11.903 2.081 5.649 1.00 0.00 H new ATOM 0 HE ARG A 596 9.997 4.200 4.934 1.00 0.00 H new ATOM 0 HH11 ARG A 596 12.532 3.585 7.227 1.00 0.00 H new ATOM 0 HH12 ARG A 596 13.334 5.137 6.962 1.00 0.00 H new ATOM 0 HH21 ARG A 596 11.168 6.099 4.392 1.00 0.00 H new ATOM 0 HH22 ARG A 596 12.568 6.548 5.371 1.00 0.00 H new ATOM 1322 N GLU A 597 8.146 2.020 8.939 1.00 0.00 N ATOM 1323 CA GLU A 597 7.419 2.430 10.176 1.00 0.00 C ATOM 1324 C GLU A 597 7.150 3.934 10.129 1.00 0.00 C ATOM 1325 O GLU A 597 7.852 4.720 10.735 1.00 0.00 O ATOM 1326 CB GLU A 597 8.273 2.102 11.402 1.00 0.00 C ATOM 1327 CG GLU A 597 9.750 2.318 11.069 1.00 0.00 C ATOM 1328 CD GLU A 597 10.596 2.087 12.322 1.00 0.00 C ATOM 1329 OE1 GLU A 597 10.945 0.946 12.575 1.00 0.00 O ATOM 1330 OE2 GLU A 597 10.882 3.056 13.007 1.00 0.00 O ATOM 0 H GLU A 597 8.768 2.728 8.548 1.00 0.00 H new ATOM 0 HA GLU A 597 6.473 1.892 10.239 1.00 0.00 H new ATOM 0 HB2 GLU A 597 7.982 2.735 12.241 1.00 0.00 H new ATOM 0 HB3 GLU A 597 8.106 1.070 11.709 1.00 0.00 H new ATOM 0 HG2 GLU A 597 10.059 1.635 10.278 1.00 0.00 H new ATOM 0 HG3 GLU A 597 9.905 3.330 10.694 1.00 0.00 H new ATOM 1337 N TYR A 598 6.141 4.342 9.411 1.00 0.00 N ATOM 1338 CA TYR A 598 5.823 5.779 9.315 1.00 0.00 C ATOM 1339 C TYR A 598 5.378 6.304 10.672 1.00 0.00 C ATOM 1340 O TYR A 598 4.210 6.284 11.002 1.00 0.00 O ATOM 1341 CB TYR A 598 4.688 5.955 8.319 1.00 0.00 C ATOM 1342 CG TYR A 598 4.776 7.314 7.703 1.00 0.00 C ATOM 1343 CD1 TYR A 598 4.574 8.448 8.494 1.00 0.00 C ATOM 1344 CD2 TYR A 598 5.053 7.438 6.343 1.00 0.00 C ATOM 1345 CE1 TYR A 598 4.646 9.716 7.923 1.00 0.00 C ATOM 1346 CE2 TYR A 598 5.125 8.707 5.764 1.00 0.00 C ATOM 1347 CZ TYR A 598 4.918 9.850 6.557 1.00 0.00 C ATOM 1348 OH TYR A 598 4.981 11.104 5.995 1.00 0.00 O ATOM 0 H TYR A 598 5.521 3.728 8.883 1.00 0.00 H new ATOM 0 HA TYR A 598 6.706 6.330 8.991 1.00 0.00 H new ATOM 0 HB2 TYR A 598 4.745 5.189 7.546 1.00 0.00 H new ATOM 0 HB3 TYR A 598 3.728 5.832 8.819 1.00 0.00 H new ATOM 0 HD1 TYR A 598 4.362 8.341 9.548 1.00 0.00 H new ATOM 0 HD2 TYR A 598 5.211 6.557 5.739 1.00 0.00 H new ATOM 0 HE1 TYR A 598 4.492 10.594 8.533 1.00 0.00 H new ATOM 0 HE2 TYR A 598 5.339 8.810 4.710 1.00 0.00 H new ATOM 0 HH TYR A 598 5.289 11.748 6.666 1.00 0.00 H new ATOM 1358 N THR A 599 6.291 6.799 11.451 1.00 0.00 N ATOM 1359 CA THR A 599 5.907 7.356 12.770 1.00 0.00 C ATOM 1360 C THR A 599 5.388 8.766 12.525 1.00 0.00 C ATOM 1361 O THR A 599 6.108 9.734 12.665 1.00 0.00 O ATOM 1362 CB THR A 599 7.128 7.403 13.692 1.00 0.00 C ATOM 1363 OG1 THR A 599 8.137 6.541 13.183 1.00 0.00 O ATOM 1364 CG2 THR A 599 6.727 6.951 15.096 1.00 0.00 C ATOM 0 H THR A 599 7.286 6.842 11.232 1.00 0.00 H new ATOM 0 HA THR A 599 5.146 6.738 13.247 1.00 0.00 H new ATOM 0 HB THR A 599 7.511 8.423 13.738 1.00 0.00 H new ATOM 0 HG1 THR A 599 8.920 6.571 13.771 1.00 0.00 H new ATOM 0 HG21 THR A 599 7.597 6.985 15.752 1.00 0.00 H new ATOM 0 HG22 THR A 599 5.954 7.614 15.485 1.00 0.00 H new ATOM 0 HG23 THR A 599 6.344 5.932 15.054 1.00 0.00 H new ATOM 1372 N VAL A 600 4.149 8.894 12.134 1.00 0.00 N ATOM 1373 CA VAL A 600 3.620 10.252 11.858 1.00 0.00 C ATOM 1374 C VAL A 600 3.434 10.984 13.192 1.00 0.00 C ATOM 1375 O VAL A 600 2.799 10.464 14.087 1.00 0.00 O ATOM 1376 CB VAL A 600 2.268 10.207 11.125 1.00 0.00 C ATOM 1377 CG1 VAL A 600 2.177 11.427 10.240 1.00 0.00 C ATOM 1378 CG2 VAL A 600 2.117 8.988 10.211 1.00 0.00 C ATOM 0 H VAL A 600 3.491 8.127 11.996 1.00 0.00 H new ATOM 0 HA VAL A 600 4.333 10.770 11.216 1.00 0.00 H new ATOM 0 HB VAL A 600 1.491 10.163 11.888 1.00 0.00 H new ATOM 0 HG11 VAL A 600 1.226 11.420 9.707 1.00 0.00 H new ATOM 0 HG12 VAL A 600 2.244 12.326 10.852 1.00 0.00 H new ATOM 0 HG13 VAL A 600 2.996 11.416 9.521 1.00 0.00 H new ATOM 0 HG21 VAL A 600 1.142 9.017 9.724 1.00 0.00 H new ATOM 0 HG22 VAL A 600 2.901 9.002 9.454 1.00 0.00 H new ATOM 0 HG23 VAL A 600 2.200 8.077 10.803 1.00 0.00 H new ATOM 1388 N PRO A 601 3.996 12.166 13.288 1.00 0.00 N ATOM 1389 CA PRO A 601 3.906 12.988 14.508 1.00 0.00 C ATOM 1390 C PRO A 601 2.552 13.699 14.574 1.00 0.00 C ATOM 1391 O PRO A 601 1.647 13.406 13.818 1.00 0.00 O ATOM 1392 CB PRO A 601 5.041 14.001 14.341 1.00 0.00 C ATOM 1393 CG PRO A 601 5.339 14.078 12.825 1.00 0.00 C ATOM 1394 CD PRO A 601 4.773 12.790 12.198 1.00 0.00 C ATOM 0 HA PRO A 601 3.990 12.405 15.425 1.00 0.00 H new ATOM 0 HB2 PRO A 601 4.751 14.977 14.730 1.00 0.00 H new ATOM 0 HB3 PRO A 601 5.926 13.688 14.895 1.00 0.00 H new ATOM 0 HG2 PRO A 601 4.875 14.960 12.383 1.00 0.00 H new ATOM 0 HG3 PRO A 601 6.411 14.158 12.645 1.00 0.00 H new ATOM 0 HD2 PRO A 601 4.143 13.010 11.336 1.00 0.00 H new ATOM 0 HD3 PRO A 601 5.570 12.133 11.851 1.00 0.00 H new ATOM 1402 N GLN A 602 2.409 14.635 15.471 1.00 0.00 N ATOM 1403 CA GLN A 602 1.117 15.368 15.585 1.00 0.00 C ATOM 1404 C GLN A 602 0.776 16.010 14.239 1.00 0.00 C ATOM 1405 O GLN A 602 -0.352 16.387 13.988 1.00 0.00 O ATOM 1406 CB GLN A 602 1.241 16.457 16.653 1.00 0.00 C ATOM 1407 CG GLN A 602 2.228 17.525 16.180 1.00 0.00 C ATOM 1408 CD GLN A 602 2.345 18.620 17.242 1.00 0.00 C ATOM 1409 OE1 GLN A 602 2.197 19.789 16.945 1.00 0.00 O ATOM 1410 NE2 GLN A 602 2.605 18.289 18.477 1.00 0.00 N ATOM 0 H GLN A 602 3.131 14.924 16.130 1.00 0.00 H new ATOM 0 HA GLN A 602 0.327 14.672 15.867 1.00 0.00 H new ATOM 0 HB2 GLN A 602 0.267 16.906 16.844 1.00 0.00 H new ATOM 0 HB3 GLN A 602 1.582 16.022 17.593 1.00 0.00 H new ATOM 0 HG2 GLN A 602 3.204 17.077 15.996 1.00 0.00 H new ATOM 0 HG3 GLN A 602 1.891 17.954 15.236 1.00 0.00 H new ATOM 0 HE21 GLN A 602 2.729 17.308 18.727 1.00 0.00 H new ATOM 0 HE22 GLN A 602 2.684 19.011 19.193 1.00 0.00 H new ATOM 1419 N ALA A 603 1.742 16.136 13.371 1.00 0.00 N ATOM 1420 CA ALA A 603 1.476 16.753 12.040 1.00 0.00 C ATOM 1421 C ALA A 603 1.213 18.250 12.213 1.00 0.00 C ATOM 1422 O ALA A 603 0.120 18.664 12.546 1.00 0.00 O ATOM 1423 CB ALA A 603 0.252 16.089 11.406 1.00 0.00 C ATOM 0 H ALA A 603 2.705 15.838 13.526 1.00 0.00 H new ATOM 0 HA ALA A 603 2.342 16.610 11.394 1.00 0.00 H new ATOM 0 HB1 ALA A 603 0.057 16.540 10.433 1.00 0.00 H new ATOM 0 HB2 ALA A 603 0.440 15.023 11.281 1.00 0.00 H new ATOM 0 HB3 ALA A 603 -0.614 16.231 12.052 1.00 0.00 H new ATOM 1429 N CYS A 604 2.206 19.066 11.986 1.00 0.00 N ATOM 1430 CA CYS A 604 2.014 20.536 12.135 1.00 0.00 C ATOM 1431 C CYS A 604 2.769 21.262 11.021 1.00 0.00 C ATOM 1432 O CYS A 604 3.897 21.681 11.193 1.00 0.00 O ATOM 1433 CB CYS A 604 2.551 20.987 13.495 1.00 0.00 C ATOM 1434 SG CYS A 604 1.794 22.567 13.950 1.00 0.00 S ATOM 0 H CYS A 604 3.143 18.778 11.704 1.00 0.00 H new ATOM 0 HA CYS A 604 0.952 20.773 12.069 1.00 0.00 H new ATOM 0 HB2 CYS A 604 2.331 20.235 14.252 1.00 0.00 H new ATOM 0 HB3 CYS A 604 3.635 21.090 13.454 1.00 0.00 H new ATOM 0 HG CYS A 604 2.249 22.949 15.106 1.00 0.00 H new ATOM 1439 N GLY A 605 2.158 21.412 9.878 1.00 0.00 N ATOM 1440 CA GLY A 605 2.841 22.109 8.751 1.00 0.00 C ATOM 1441 C GLY A 605 2.768 21.236 7.497 1.00 0.00 C ATOM 1442 O GLY A 605 2.230 21.633 6.483 1.00 0.00 O ATOM 0 H GLY A 605 1.214 21.082 9.675 1.00 0.00 H new ATOM 0 HA2 GLY A 605 2.368 23.073 8.565 1.00 0.00 H new ATOM 0 HA3 GLY A 605 3.881 22.309 9.009 1.00 0.00 H new ATOM 1446 N THR A 606 3.304 20.048 7.560 1.00 0.00 N ATOM 1447 CA THR A 606 3.264 19.148 6.374 1.00 0.00 C ATOM 1448 C THR A 606 2.234 18.042 6.613 1.00 0.00 C ATOM 1449 O THR A 606 1.116 18.111 6.142 1.00 0.00 O ATOM 1450 CB THR A 606 4.644 18.523 6.159 1.00 0.00 C ATOM 1451 OG1 THR A 606 5.358 18.524 7.387 1.00 0.00 O ATOM 1452 CG2 THR A 606 5.416 19.332 5.116 1.00 0.00 C ATOM 0 H THR A 606 3.768 19.662 8.382 1.00 0.00 H new ATOM 0 HA THR A 606 2.986 19.722 5.490 1.00 0.00 H new ATOM 0 HB THR A 606 4.529 17.498 5.806 1.00 0.00 H new ATOM 0 HG1 THR A 606 6.242 18.122 7.252 1.00 0.00 H new ATOM 0 HG21 THR A 606 6.399 18.886 4.964 1.00 0.00 H new ATOM 0 HG22 THR A 606 4.867 19.330 4.174 1.00 0.00 H new ATOM 0 HG23 THR A 606 5.533 20.358 5.465 1.00 0.00 H new ATOM 1460 N SER A 607 2.603 17.026 7.346 1.00 0.00 N ATOM 1461 CA SER A 607 1.651 15.912 7.625 1.00 0.00 C ATOM 1462 C SER A 607 1.448 15.076 6.359 1.00 0.00 C ATOM 1463 O SER A 607 0.419 14.467 6.169 1.00 0.00 O ATOM 1464 CB SER A 607 0.308 16.486 8.079 1.00 0.00 C ATOM 1465 OG SER A 607 0.531 17.699 8.787 1.00 0.00 O ATOM 0 H SER A 607 3.527 16.919 7.765 1.00 0.00 H new ATOM 0 HA SER A 607 2.060 15.279 8.413 1.00 0.00 H new ATOM 0 HB2 SER A 607 -0.333 16.667 7.216 1.00 0.00 H new ATOM 0 HB3 SER A 607 -0.210 15.769 8.716 1.00 0.00 H new ATOM 0 HG SER A 607 -0.310 18.004 9.187 1.00 0.00 H new ATOM 1471 N THR A 608 2.422 15.041 5.494 1.00 0.00 N ATOM 1472 CA THR A 608 2.291 14.240 4.239 1.00 0.00 C ATOM 1473 C THR A 608 3.685 13.972 3.686 1.00 0.00 C ATOM 1474 O THR A 608 4.445 14.886 3.430 1.00 0.00 O ATOM 1475 CB THR A 608 1.485 15.023 3.190 1.00 0.00 C ATOM 1476 OG1 THR A 608 2.377 15.800 2.403 1.00 0.00 O ATOM 1477 CG2 THR A 608 0.477 15.950 3.872 1.00 0.00 C ATOM 0 H THR A 608 3.309 15.534 5.600 1.00 0.00 H new ATOM 0 HA THR A 608 1.776 13.305 4.460 1.00 0.00 H new ATOM 0 HB THR A 608 0.944 14.317 2.560 1.00 0.00 H new ATOM 0 HG1 THR A 608 3.159 16.045 2.941 1.00 0.00 H new ATOM 0 HG21 THR A 608 -0.085 16.497 3.115 1.00 0.00 H new ATOM 0 HG22 THR A 608 -0.210 15.358 4.477 1.00 0.00 H new ATOM 0 HG23 THR A 608 1.007 16.656 4.511 1.00 0.00 H new ATOM 1485 N ALA A 609 4.035 12.733 3.495 1.00 0.00 N ATOM 1486 CA ALA A 609 5.400 12.443 2.951 1.00 0.00 C ATOM 1487 C ALA A 609 5.333 11.337 1.900 1.00 0.00 C ATOM 1488 O ALA A 609 4.277 10.994 1.417 1.00 0.00 O ATOM 1489 CB ALA A 609 6.335 12.013 4.080 1.00 0.00 C ATOM 0 H ALA A 609 3.452 11.918 3.686 1.00 0.00 H new ATOM 0 HA ALA A 609 5.784 13.352 2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 609 7.325 11.805 3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 609 6.407 12.812 4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 609 5.942 11.115 4.556 1.00 0.00 H new ATOM 1495 N THR A 610 6.462 10.786 1.537 1.00 0.00 N ATOM 1496 CA THR A 610 6.479 9.708 0.506 1.00 0.00 C ATOM 1497 C THR A 610 6.634 8.353 1.166 1.00 0.00 C ATOM 1498 O THR A 610 6.806 8.234 2.363 1.00 0.00 O ATOM 1499 CB THR A 610 7.636 9.943 -0.468 1.00 0.00 C ATOM 1500 OG1 THR A 610 8.857 9.997 0.255 1.00 0.00 O ATOM 1501 CG2 THR A 610 7.421 11.263 -1.210 1.00 0.00 C ATOM 0 H THR A 610 7.376 11.038 1.912 1.00 0.00 H new ATOM 0 HA THR A 610 5.536 9.728 -0.040 1.00 0.00 H new ATOM 0 HB THR A 610 7.676 9.127 -1.189 1.00 0.00 H new ATOM 0 HG1 THR A 610 9.599 10.146 -0.367 1.00 0.00 H new ATOM 0 HG21 THR A 610 8.246 11.429 -1.903 1.00 0.00 H new ATOM 0 HG22 THR A 610 6.484 11.220 -1.765 1.00 0.00 H new ATOM 0 HG23 THR A 610 7.380 12.082 -0.492 1.00 0.00 H new ATOM 1509 N VAL A 611 6.526 7.328 0.379 1.00 0.00 N ATOM 1510 CA VAL A 611 6.608 5.951 0.913 1.00 0.00 C ATOM 1511 C VAL A 611 6.951 5.041 -0.284 1.00 0.00 C ATOM 1512 O VAL A 611 6.086 4.419 -0.869 1.00 0.00 O ATOM 1513 CB VAL A 611 5.221 5.580 1.461 1.00 0.00 C ATOM 1514 CG1 VAL A 611 5.331 4.694 2.695 1.00 0.00 C ATOM 1515 CG2 VAL A 611 4.440 6.811 1.882 1.00 0.00 C ATOM 0 H VAL A 611 6.382 7.388 -0.629 1.00 0.00 H new ATOM 0 HA VAL A 611 7.352 5.850 1.703 1.00 0.00 H new ATOM 0 HB VAL A 611 4.711 5.058 0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 611 4.333 4.450 3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 611 5.858 3.775 2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 611 5.881 5.222 3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 611 3.465 6.510 2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 611 4.988 7.340 2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 611 4.306 7.468 1.023 1.00 0.00 H new ATOM 1525 N THR A 612 8.194 5.008 -0.693 1.00 0.00 N ATOM 1526 CA THR A 612 8.570 4.199 -1.900 1.00 0.00 C ATOM 1527 C THR A 612 8.705 2.710 -1.646 1.00 0.00 C ATOM 1528 O THR A 612 9.206 2.264 -0.633 1.00 0.00 O ATOM 1529 CB THR A 612 9.898 4.688 -2.459 1.00 0.00 C ATOM 1530 OG1 THR A 612 10.647 5.338 -1.443 1.00 0.00 O ATOM 1531 CG2 THR A 612 9.639 5.605 -3.637 1.00 0.00 C ATOM 0 H THR A 612 8.966 5.504 -0.247 1.00 0.00 H new ATOM 0 HA THR A 612 7.746 4.340 -2.600 1.00 0.00 H new ATOM 0 HB THR A 612 10.488 3.840 -2.808 1.00 0.00 H new ATOM 0 HG1 THR A 612 10.349 6.268 -1.361 1.00 0.00 H new ATOM 0 HG21 THR A 612 10.589 5.957 -4.040 1.00 0.00 H new ATOM 0 HG22 THR A 612 9.097 5.060 -4.410 1.00 0.00 H new ATOM 0 HG23 THR A 612 9.045 6.458 -3.310 1.00 0.00 H new ATOM 1539 N ASP A 613 8.300 1.943 -2.626 1.00 0.00 N ATOM 1540 CA ASP A 613 8.435 0.474 -2.540 1.00 0.00 C ATOM 1541 C ASP A 613 8.290 -0.139 -3.945 1.00 0.00 C ATOM 1542 O ASP A 613 7.796 0.489 -4.862 1.00 0.00 O ATOM 1543 CB ASP A 613 7.368 -0.098 -1.604 1.00 0.00 C ATOM 1544 CG ASP A 613 7.920 -0.161 -0.178 1.00 0.00 C ATOM 1545 OD1 ASP A 613 8.933 -0.812 0.015 1.00 0.00 O ATOM 1546 OD2 ASP A 613 7.319 0.443 0.695 1.00 0.00 O ATOM 0 H ASP A 613 7.877 2.285 -3.489 1.00 0.00 H new ATOM 0 HA ASP A 613 9.418 0.226 -2.140 1.00 0.00 H new ATOM 0 HB2 ASP A 613 6.473 0.524 -1.632 1.00 0.00 H new ATOM 0 HB3 ASP A 613 7.074 -1.094 -1.936 1.00 0.00 H new ATOM 1551 N THR A 614 8.709 -1.362 -4.130 1.00 0.00 N ATOM 1552 CA THR A 614 8.565 -1.989 -5.478 1.00 0.00 C ATOM 1553 C THR A 614 8.697 -3.502 -5.374 1.00 0.00 C ATOM 1554 O THR A 614 9.443 -4.029 -4.573 1.00 0.00 O ATOM 1555 CB THR A 614 9.596 -1.417 -6.450 1.00 0.00 C ATOM 1556 OG1 THR A 614 10.087 -2.456 -7.285 1.00 0.00 O ATOM 1557 CG2 THR A 614 10.756 -0.784 -5.680 1.00 0.00 C ATOM 0 H THR A 614 9.140 -1.949 -3.416 1.00 0.00 H new ATOM 0 HA THR A 614 7.573 -1.758 -5.865 1.00 0.00 H new ATOM 0 HB THR A 614 9.120 -0.650 -7.061 1.00 0.00 H new ATOM 0 HG1 THR A 614 9.349 -2.829 -7.811 1.00 0.00 H new ATOM 0 HG21 THR A 614 11.483 -0.380 -6.385 1.00 0.00 H new ATOM 0 HG22 THR A 614 10.378 0.020 -5.048 1.00 0.00 H new ATOM 0 HG23 THR A 614 11.235 -1.540 -5.057 1.00 0.00 H new ATOM 1565 N TRP A 615 7.925 -4.197 -6.158 1.00 0.00 N ATOM 1566 CA TRP A 615 7.923 -5.679 -6.109 1.00 0.00 C ATOM 1567 C TRP A 615 9.188 -6.274 -6.706 1.00 0.00 C ATOM 1568 O TRP A 615 9.787 -5.735 -7.615 1.00 0.00 O ATOM 1569 CB TRP A 615 6.693 -6.195 -6.852 1.00 0.00 C ATOM 1570 CG TRP A 615 5.725 -6.643 -5.823 1.00 0.00 C ATOM 1571 CD1 TRP A 615 4.835 -7.637 -5.952 1.00 0.00 C ATOM 1572 CD2 TRP A 615 5.566 -6.125 -4.490 1.00 0.00 C ATOM 1573 NE1 TRP A 615 4.157 -7.788 -4.753 1.00 0.00 N ATOM 1574 CE2 TRP A 615 4.573 -6.866 -3.829 1.00 0.00 C ATOM 1575 CE3 TRP A 615 6.195 -5.094 -3.799 1.00 0.00 C ATOM 1576 CZ2 TRP A 615 4.223 -6.592 -2.524 1.00 0.00 C ATOM 1577 CZ3 TRP A 615 5.853 -4.811 -2.488 1.00 0.00 C ATOM 1578 CH2 TRP A 615 4.873 -5.557 -1.847 1.00 0.00 C ATOM 0 H TRP A 615 7.285 -3.792 -6.841 1.00 0.00 H new ATOM 0 HA TRP A 615 7.891 -5.988 -5.064 1.00 0.00 H new ATOM 0 HB2 TRP A 615 6.260 -5.411 -7.474 1.00 0.00 H new ATOM 0 HB3 TRP A 615 6.960 -7.018 -7.516 1.00 0.00 H new ATOM 0 HD1 TRP A 615 4.673 -8.224 -6.844 1.00 0.00 H new ATOM 0 HE1 TRP A 615 3.441 -8.494 -4.581 1.00 0.00 H new ATOM 0 HE3 TRP A 615 6.958 -4.509 -4.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 615 3.456 -7.170 -2.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 615 6.349 -4.008 -1.963 1.00 0.00 H new ATOM 0 HH2 TRP A 615 4.612 -5.337 -0.822 1.00 0.00 H new ATOM 1589 N ARG A 616 9.590 -7.399 -6.181 1.00 0.00 N ATOM 1590 CA ARG A 616 10.819 -8.068 -6.691 1.00 0.00 C ATOM 1591 C ARG A 616 10.428 -9.176 -7.671 1.00 0.00 C ATOM 1592 O ARG A 616 9.250 -9.291 -7.964 1.00 0.00 O ATOM 1593 CB ARG A 616 11.595 -8.673 -5.519 1.00 0.00 C ATOM 1594 CG ARG A 616 10.813 -9.857 -4.947 1.00 0.00 C ATOM 1595 CD ARG A 616 11.482 -10.336 -3.657 1.00 0.00 C ATOM 1596 NE ARG A 616 11.089 -9.443 -2.531 1.00 0.00 N ATOM 1597 CZ ARG A 616 11.936 -8.566 -2.067 1.00 0.00 C ATOM 1598 NH1 ARG A 616 13.107 -8.953 -1.640 1.00 0.00 N ATOM 1599 NH2 ARG A 616 11.613 -7.303 -2.030 1.00 0.00 N ATOM 1600 OXT ARG A 616 11.314 -9.890 -8.111 1.00 0.00 O ATOM 0 H ARG A 616 9.118 -7.885 -5.418 1.00 0.00 H new ATOM 0 HA ARG A 616 11.445 -7.336 -7.202 1.00 0.00 H new ATOM 0 HB2 ARG A 616 12.580 -9.000 -5.851 1.00 0.00 H new ATOM 0 HB3 ARG A 616 11.753 -7.921 -4.746 1.00 0.00 H new ATOM 0 HG2 ARG A 616 9.783 -9.563 -4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 616 10.778 -10.668 -5.674 1.00 0.00 H new ATOM 0 HD2 ARG A 616 11.186 -11.363 -3.441 1.00 0.00 H new ATOM 0 HD3 ARG A 616 12.566 -10.335 -3.775 1.00 0.00 H new ATOM 0 HE ARG A 616 10.157 -9.517 -2.123 1.00 0.00 H new ATOM 0 HH11 ARG A 616 13.360 -9.941 -1.669 1.00 0.00 H new ATOM 0 HH12 ARG A 616 13.770 -8.268 -1.277 1.00 0.00 H new ATOM 0 HH21 ARG A 616 10.698 -7.001 -2.364 1.00 0.00 H new ATOM 0 HH22 ARG A 616 12.276 -6.618 -1.667 1.00 0.00 H new