USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=29 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 Single : A 513 THR OG1 : rot -32:sc= 0.524 USER MOD Single : A 518 THR OG1 : rot 180:sc= 0 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= -4.3 K(o=-4.3,f=-0.54) USER MOD Single : A 532 TYR OH : rot 30:sc= -1.98! USER MOD Single : A 536 SER OG : rot -62:sc= 0.679 USER MOD Single : A 538 SER OG : rot 180:sc= 0 USER MOD Single : A 539 GLN : amide:sc= -2.17 K(o=-2.2,f=-3.4!) USER MOD Single : A 545 THR OG1 : rot 180:sc= 0 USER MOD Single : A 546 SER OG : rot 180:sc= -1.14! USER MOD Single : A 552 SER OG : rot -62:sc= 1.16 USER MOD Single : A 555 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 564 TYR OH : rot -112:sc= 0.0155 USER MOD Single : A 566 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 568 THR OG1 : rot 180:sc= 0 USER MOD Single : A 574 SER OG : rot 5:sc= 1.07 USER MOD Single : A 577 TYR OH : rot 110:sc= -0.948! USER MOD Single : A 578 LYS NZ :NH3+ -118:sc= -2.23 (180deg=-7.33!) USER MOD Single : A 584 SER OG : rot 180:sc= 0 USER MOD Single : A 587 SER OG : rot 180:sc= 0 USER MOD Single : A 592 SER OG : rot -41:sc= -0.751! USER MOD Single : A 595 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.5!) USER MOD Single : A 598 TYR OH : rot 30:sc= -4.53! USER MOD Single : A 599 THR OG1 : rot -174:sc= -8.83! USER MOD Single : A 602 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 604 CYS SG : rot -51:sc= 0.0243 USER MOD Single : A 606 THR OG1 : rot 180:sc= 0.0816 USER MOD Single : A 607 SER OG : rot 180:sc= 0 USER MOD Single : A 608 THR OG1 : rot 180:sc= 0 USER MOD Single : A 610 THR OG1 : rot 180:sc= 0 USER MOD Single : A 612 THR OG1 : rot 180:sc= 0.0245 USER MOD Single : A 614 THR OG1 : rot 180:sc= -0.397 USER MOD ----------------------------------------------------------------- ATOM 55 N THR A 513 13.561 15.477 -0.058 1.00 0.00 N ATOM 56 CA THR A 513 12.371 15.634 0.824 1.00 0.00 C ATOM 57 C THR A 513 11.331 14.569 0.474 1.00 0.00 C ATOM 58 O THR A 513 10.860 13.846 1.330 1.00 0.00 O ATOM 59 CB THR A 513 11.765 17.025 0.621 1.00 0.00 C ATOM 60 OG1 THR A 513 11.834 17.373 -0.754 1.00 0.00 O ATOM 61 CG2 THR A 513 12.543 18.050 1.449 1.00 0.00 C ATOM 0 HA THR A 513 12.673 15.517 1.865 1.00 0.00 H new ATOM 0 HB THR A 513 10.724 17.018 0.943 1.00 0.00 H new ATOM 0 HG1 THR A 513 12.632 16.969 -1.154 1.00 0.00 H new ATOM 0 HG21 THR A 513 12.110 19.040 1.303 1.00 0.00 H new ATOM 0 HG22 THR A 513 12.489 17.782 2.504 1.00 0.00 H new ATOM 0 HG23 THR A 513 13.585 18.059 1.130 1.00 0.00 H new ATOM 69 N ALA A 514 10.968 14.468 -0.777 1.00 0.00 N ATOM 70 CA ALA A 514 9.955 13.453 -1.184 1.00 0.00 C ATOM 71 C ALA A 514 10.621 12.081 -1.299 1.00 0.00 C ATOM 72 O ALA A 514 11.690 11.945 -1.860 1.00 0.00 O ATOM 73 CB ALA A 514 9.359 13.844 -2.539 1.00 0.00 C ATOM 0 H ALA A 514 11.330 15.046 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 514 9.164 13.410 -0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 514 8.618 13.103 -2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 514 8.883 14.821 -2.459 1.00 0.00 H new ATOM 0 HB3 ALA A 514 10.151 13.887 -3.286 1.00 0.00 H new ATOM 79 N VAL A 515 9.998 11.060 -0.773 1.00 0.00 N ATOM 80 CA VAL A 515 10.601 9.702 -0.857 1.00 0.00 C ATOM 81 C VAL A 515 9.676 8.767 -1.628 1.00 0.00 C ATOM 82 O VAL A 515 8.697 8.273 -1.105 1.00 0.00 O ATOM 83 CB VAL A 515 10.838 9.147 0.543 1.00 0.00 C ATOM 84 CG1 VAL A 515 11.184 7.652 0.460 1.00 0.00 C ATOM 85 CG2 VAL A 515 11.999 9.914 1.174 1.00 0.00 C ATOM 0 H VAL A 515 9.101 11.109 -0.291 1.00 0.00 H new ATOM 0 HA VAL A 515 11.555 9.774 -1.379 1.00 0.00 H new ATOM 0 HB VAL A 515 9.939 9.263 1.149 1.00 0.00 H new ATOM 0 HG11 VAL A 515 11.352 7.261 1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 515 10.359 7.113 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 515 12.087 7.520 -0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 515 12.185 9.532 2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 515 12.894 9.785 0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 515 11.748 10.973 1.230 1.00 0.00 H new ATOM 95 N ALA A 516 9.999 8.493 -2.859 1.00 0.00 N ATOM 96 CA ALA A 516 9.161 7.560 -3.647 1.00 0.00 C ATOM 97 C ALA A 516 9.526 6.152 -3.209 1.00 0.00 C ATOM 98 O ALA A 516 10.657 5.723 -3.359 1.00 0.00 O ATOM 99 CB ALA A 516 9.461 7.724 -5.137 1.00 0.00 C ATOM 0 H ALA A 516 10.807 8.876 -3.350 1.00 0.00 H new ATOM 0 HA ALA A 516 8.102 7.760 -3.484 1.00 0.00 H new ATOM 0 HB1 ALA A 516 8.841 7.035 -5.711 1.00 0.00 H new ATOM 0 HB2 ALA A 516 9.243 8.748 -5.442 1.00 0.00 H new ATOM 0 HB3 ALA A 516 10.513 7.506 -5.322 1.00 0.00 H new ATOM 105 N VAL A 517 8.607 5.428 -2.637 1.00 0.00 N ATOM 106 CA VAL A 517 8.978 4.072 -2.184 1.00 0.00 C ATOM 107 C VAL A 517 8.244 3.065 -3.066 1.00 0.00 C ATOM 108 O VAL A 517 7.138 3.308 -3.510 1.00 0.00 O ATOM 109 CB VAL A 517 8.554 3.851 -0.733 1.00 0.00 C ATOM 110 CG1 VAL A 517 9.673 3.121 -0.010 1.00 0.00 C ATOM 111 CG2 VAL A 517 8.252 5.159 -0.014 1.00 0.00 C ATOM 0 H VAL A 517 7.641 5.711 -2.469 1.00 0.00 H new ATOM 0 HA VAL A 517 10.059 3.950 -2.254 1.00 0.00 H new ATOM 0 HB VAL A 517 7.636 3.263 -0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 517 9.387 2.955 1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 517 9.854 2.162 -0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 517 10.581 3.722 -0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 517 7.955 4.949 1.014 1.00 0.00 H new ATOM 0 HG22 VAL A 517 9.142 5.788 -0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 517 7.442 5.678 -0.527 1.00 0.00 H new ATOM 121 N THR A 518 8.837 1.939 -3.321 1.00 0.00 N ATOM 122 CA THR A 518 8.160 0.924 -4.165 1.00 0.00 C ATOM 123 C THR A 518 7.602 -0.166 -3.257 1.00 0.00 C ATOM 124 O THR A 518 8.297 -0.702 -2.419 1.00 0.00 O ATOM 125 CB THR A 518 9.166 0.315 -5.146 1.00 0.00 C ATOM 126 OG1 THR A 518 9.474 1.265 -6.156 1.00 0.00 O ATOM 127 CG2 THR A 518 8.564 -0.937 -5.787 1.00 0.00 C ATOM 0 H THR A 518 9.762 1.677 -2.981 1.00 0.00 H new ATOM 0 HA THR A 518 7.352 1.387 -4.731 1.00 0.00 H new ATOM 0 HB THR A 518 10.076 0.044 -4.611 1.00 0.00 H new ATOM 0 HG1 THR A 518 10.119 0.878 -6.784 1.00 0.00 H new ATOM 0 HG21 THR A 518 9.281 -1.369 -6.485 1.00 0.00 H new ATOM 0 HG22 THR A 518 8.328 -1.666 -5.011 1.00 0.00 H new ATOM 0 HG23 THR A 518 7.653 -0.670 -6.322 1.00 0.00 H new ATOM 135 N PHE A 519 6.357 -0.503 -3.416 1.00 0.00 N ATOM 136 CA PHE A 519 5.773 -1.567 -2.556 1.00 0.00 C ATOM 137 C PHE A 519 5.214 -2.686 -3.425 1.00 0.00 C ATOM 138 O PHE A 519 4.877 -2.504 -4.591 1.00 0.00 O ATOM 139 CB PHE A 519 4.627 -1.034 -1.675 1.00 0.00 C ATOM 140 CG PHE A 519 4.824 0.426 -1.346 1.00 0.00 C ATOM 141 CD1 PHE A 519 4.804 1.396 -2.354 1.00 0.00 C ATOM 142 CD2 PHE A 519 5.038 0.801 -0.019 1.00 0.00 C ATOM 143 CE1 PHE A 519 5.003 2.743 -2.027 1.00 0.00 C ATOM 144 CE2 PHE A 519 5.243 2.144 0.307 1.00 0.00 C ATOM 145 CZ PHE A 519 5.227 3.112 -0.696 1.00 0.00 C ATOM 0 H PHE A 519 5.721 -0.092 -4.099 1.00 0.00 H new ATOM 0 HA PHE A 519 6.574 -1.931 -1.913 1.00 0.00 H new ATOM 0 HB2 PHE A 519 3.676 -1.168 -2.191 1.00 0.00 H new ATOM 0 HB3 PHE A 519 4.574 -1.613 -0.753 1.00 0.00 H new ATOM 0 HD1 PHE A 519 4.636 1.107 -3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 519 5.045 0.051 0.758 1.00 0.00 H new ATOM 0 HE1 PHE A 519 4.984 3.496 -2.801 1.00 0.00 H new ATOM 0 HE2 PHE A 519 5.414 2.432 1.334 1.00 0.00 H new ATOM 0 HZ PHE A 519 5.388 4.150 -0.445 1.00 0.00 H new ATOM 155 N ASP A 520 5.104 -3.839 -2.839 1.00 0.00 N ATOM 156 CA ASP A 520 4.556 -5.007 -3.546 1.00 0.00 C ATOM 157 C ASP A 520 3.864 -5.886 -2.504 1.00 0.00 C ATOM 158 O ASP A 520 4.160 -5.803 -1.328 1.00 0.00 O ATOM 159 CB ASP A 520 5.696 -5.778 -4.201 1.00 0.00 C ATOM 160 CG ASP A 520 5.910 -5.271 -5.628 1.00 0.00 C ATOM 161 OD1 ASP A 520 4.953 -5.273 -6.386 1.00 0.00 O ATOM 162 OD2 ASP A 520 7.026 -4.891 -5.940 1.00 0.00 O ATOM 0 H ASP A 520 5.380 -4.019 -1.874 1.00 0.00 H new ATOM 0 HA ASP A 520 3.851 -4.704 -4.320 1.00 0.00 H new ATOM 0 HB2 ASP A 520 6.611 -5.656 -3.621 1.00 0.00 H new ATOM 0 HB3 ASP A 520 5.467 -6.843 -4.214 1.00 0.00 H new ATOM 167 N LEU A 521 2.939 -6.709 -2.900 1.00 0.00 N ATOM 168 CA LEU A 521 2.241 -7.557 -1.894 1.00 0.00 C ATOM 169 C LEU A 521 1.572 -8.751 -2.576 1.00 0.00 C ATOM 170 O LEU A 521 0.836 -8.601 -3.530 1.00 0.00 O ATOM 171 CB LEU A 521 1.194 -6.696 -1.180 1.00 0.00 C ATOM 172 CG LEU A 521 0.722 -7.404 0.084 1.00 0.00 C ATOM 173 CD1 LEU A 521 0.082 -6.378 1.043 1.00 0.00 C ATOM 174 CD2 LEU A 521 -0.291 -8.479 -0.322 1.00 0.00 C ATOM 0 H LEU A 521 2.636 -6.833 -3.866 1.00 0.00 H new ATOM 0 HA LEU A 521 2.960 -7.943 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 521 1.619 -5.725 -0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 521 0.348 -6.511 -1.842 1.00 0.00 H new ATOM 0 HG LEU A 521 1.560 -7.872 0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 521 -0.255 -6.886 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 521 0.818 -5.618 1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 521 -0.769 -5.904 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 521 -0.644 -9.001 0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 521 -1.136 -8.011 -0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 521 0.185 -9.192 -0.996 1.00 0.00 H new ATOM 186 N THR A 522 1.827 -9.945 -2.094 1.00 0.00 N ATOM 187 CA THR A 522 1.197 -11.145 -2.734 1.00 0.00 C ATOM 188 C THR A 522 -0.279 -11.247 -2.346 1.00 0.00 C ATOM 189 O THR A 522 -0.633 -11.199 -1.204 1.00 0.00 O ATOM 190 CB THR A 522 1.940 -12.416 -2.315 1.00 0.00 C ATOM 191 OG1 THR A 522 3.328 -12.258 -2.573 1.00 0.00 O ATOM 192 CG2 THR A 522 1.403 -13.607 -3.110 1.00 0.00 C ATOM 0 H THR A 522 2.434 -10.140 -1.298 1.00 0.00 H new ATOM 0 HA THR A 522 1.264 -11.036 -3.816 1.00 0.00 H new ATOM 0 HB THR A 522 1.787 -12.594 -1.251 1.00 0.00 H new ATOM 0 HG1 THR A 522 3.805 -13.070 -2.304 1.00 0.00 H new ATOM 0 HG21 THR A 522 1.932 -14.512 -2.812 1.00 0.00 H new ATOM 0 HG22 THR A 522 0.338 -13.727 -2.911 1.00 0.00 H new ATOM 0 HG23 THR A 522 1.556 -13.432 -4.175 1.00 0.00 H new ATOM 200 N ALA A 523 -1.144 -11.390 -3.305 1.00 0.00 N ATOM 201 CA ALA A 523 -2.602 -11.483 -2.998 1.00 0.00 C ATOM 202 C ALA A 523 -3.322 -11.917 -4.274 1.00 0.00 C ATOM 203 O ALA A 523 -2.808 -12.728 -5.018 1.00 0.00 O ATOM 204 CB ALA A 523 -3.104 -10.135 -2.425 1.00 0.00 C ATOM 0 H ALA A 523 -0.907 -11.447 -4.295 1.00 0.00 H new ATOM 0 HA ALA A 523 -2.810 -12.227 -2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 523 -4.169 -10.208 -2.203 1.00 0.00 H new ATOM 0 HB2 ALA A 523 -2.558 -9.902 -1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 523 -2.940 -9.345 -3.157 1.00 0.00 H new ATOM 210 N THR A 524 -4.516 -11.443 -4.529 1.00 0.00 N ATOM 211 CA THR A 524 -5.238 -11.917 -5.758 1.00 0.00 C ATOM 212 C THR A 524 -6.659 -11.388 -5.825 1.00 0.00 C ATOM 213 O THR A 524 -7.497 -11.746 -5.020 1.00 0.00 O ATOM 214 CB THR A 524 -5.289 -13.440 -5.698 1.00 0.00 C ATOM 215 OG1 THR A 524 -6.467 -13.906 -6.343 1.00 0.00 O ATOM 216 CG2 THR A 524 -5.296 -13.853 -4.227 1.00 0.00 C ATOM 0 H THR A 524 -5.016 -10.763 -3.956 1.00 0.00 H new ATOM 0 HA THR A 524 -4.708 -11.555 -6.639 1.00 0.00 H new ATOM 0 HB THR A 524 -4.426 -13.872 -6.205 1.00 0.00 H new ATOM 0 HG1 THR A 524 -6.496 -14.885 -6.304 1.00 0.00 H new ATOM 0 HG21 THR A 524 -5.332 -14.940 -4.154 1.00 0.00 H new ATOM 0 HG22 THR A 524 -4.391 -13.487 -3.742 1.00 0.00 H new ATOM 0 HG23 THR A 524 -6.170 -13.427 -3.734 1.00 0.00 H new ATOM 224 N THR A 525 -6.959 -10.559 -6.798 1.00 0.00 N ATOM 225 CA THR A 525 -8.382 -10.069 -6.880 1.00 0.00 C ATOM 226 C THR A 525 -8.967 -10.189 -8.297 1.00 0.00 C ATOM 227 O THR A 525 -8.642 -11.091 -9.042 1.00 0.00 O ATOM 228 CB THR A 525 -8.489 -8.627 -6.401 1.00 0.00 C ATOM 229 OG1 THR A 525 -9.837 -8.381 -6.036 1.00 0.00 O ATOM 230 CG2 THR A 525 -8.076 -7.665 -7.515 1.00 0.00 C ATOM 0 H THR A 525 -6.317 -10.211 -7.510 1.00 0.00 H new ATOM 0 HA THR A 525 -8.967 -10.714 -6.224 1.00 0.00 H new ATOM 0 HB THR A 525 -7.827 -8.471 -5.549 1.00 0.00 H new ATOM 0 HG1 THR A 525 -9.928 -7.457 -5.722 1.00 0.00 H new ATOM 0 HG21 THR A 525 -8.158 -6.638 -7.158 1.00 0.00 H new ATOM 0 HG22 THR A 525 -7.045 -7.867 -7.807 1.00 0.00 H new ATOM 0 HG23 THR A 525 -8.730 -7.803 -8.376 1.00 0.00 H new ATOM 295 N ASN A 530 -8.664 -3.083 -5.003 1.00 0.00 N ATOM 296 CA ASN A 530 -7.304 -2.524 -4.791 1.00 0.00 C ATOM 297 C ASN A 530 -6.741 -3.007 -3.469 1.00 0.00 C ATOM 298 O ASN A 530 -7.415 -3.056 -2.479 1.00 0.00 O ATOM 299 CB ASN A 530 -7.376 -0.996 -4.788 1.00 0.00 C ATOM 300 CG ASN A 530 -6.067 -0.421 -5.322 1.00 0.00 C ATOM 301 OD1 ASN A 530 -5.863 -0.352 -6.518 1.00 0.00 O ATOM 302 ND2 ASN A 530 -5.165 -0.003 -4.482 1.00 0.00 N ATOM 0 HA ASN A 530 -6.652 -2.859 -5.598 1.00 0.00 H new ATOM 0 HB2 ASN A 530 -8.210 -0.660 -5.403 1.00 0.00 H new ATOM 0 HB3 ASN A 530 -7.559 -0.632 -3.777 1.00 0.00 H new ATOM 0 HD21 ASN A 530 -4.286 0.383 -4.827 1.00 0.00 H new ATOM 0 HD22 ASN A 530 -5.337 -0.061 -3.478 1.00 0.00 H new ATOM 309 N ILE A 531 -5.488 -3.327 -3.456 1.00 0.00 N ATOM 310 CA ILE A 531 -4.830 -3.759 -2.198 1.00 0.00 C ATOM 311 C ILE A 531 -3.705 -2.753 -1.987 1.00 0.00 C ATOM 312 O ILE A 531 -2.865 -2.583 -2.843 1.00 0.00 O ATOM 313 CB ILE A 531 -4.276 -5.191 -2.338 1.00 0.00 C ATOM 314 CG1 ILE A 531 -4.386 -5.920 -1.000 1.00 0.00 C ATOM 315 CG2 ILE A 531 -2.808 -5.168 -2.778 1.00 0.00 C ATOM 316 CD1 ILE A 531 -3.585 -7.222 -1.063 1.00 0.00 C ATOM 0 H ILE A 531 -4.879 -3.309 -4.274 1.00 0.00 H new ATOM 0 HA ILE A 531 -5.520 -3.783 -1.354 1.00 0.00 H new ATOM 0 HB ILE A 531 -4.863 -5.711 -3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 531 -4.009 -5.287 -0.196 1.00 0.00 H new ATOM 0 HG13 ILE A 531 -5.431 -6.134 -0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 531 -2.440 -6.190 -2.870 1.00 0.00 H new ATOM 0 HG22 ILE A 531 -2.725 -4.664 -3.741 1.00 0.00 H new ATOM 0 HG23 ILE A 531 -2.214 -4.634 -2.036 1.00 0.00 H new ATOM 0 HD11 ILE A 531 -3.662 -7.743 -0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 531 -3.982 -7.856 -1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 531 -2.539 -6.996 -1.269 1.00 0.00 H new ATOM 328 N TYR A 532 -3.681 -2.053 -0.905 1.00 0.00 N ATOM 329 CA TYR A 532 -2.593 -1.065 -0.740 1.00 0.00 C ATOM 330 C TYR A 532 -2.366 -0.767 0.706 1.00 0.00 C ATOM 331 O TYR A 532 -2.768 -1.527 1.539 1.00 0.00 O ATOM 332 CB TYR A 532 -2.917 0.204 -1.486 1.00 0.00 C ATOM 333 CG TYR A 532 -4.243 0.818 -1.120 1.00 0.00 C ATOM 334 CD1 TYR A 532 -5.455 0.099 -1.185 1.00 0.00 C ATOM 335 CD2 TYR A 532 -4.241 2.166 -0.726 1.00 0.00 C ATOM 336 CE1 TYR A 532 -6.653 0.741 -0.844 1.00 0.00 C ATOM 337 CE2 TYR A 532 -5.442 2.797 -0.387 1.00 0.00 C ATOM 338 CZ TYR A 532 -6.646 2.084 -0.444 1.00 0.00 C ATOM 339 OH TYR A 532 -7.831 2.707 -0.111 1.00 0.00 O ATOM 0 H TYR A 532 -4.351 -2.116 -0.139 1.00 0.00 H new ATOM 0 HA TYR A 532 -1.679 -1.492 -1.154 1.00 0.00 H new ATOM 0 HB2 TYR A 532 -2.128 0.933 -1.299 1.00 0.00 H new ATOM 0 HB3 TYR A 532 -2.910 -0.005 -2.556 1.00 0.00 H new ATOM 0 HD1 TYR A 532 -5.460 -0.936 -1.494 1.00 0.00 H new ATOM 0 HD2 TYR A 532 -3.312 2.715 -0.685 1.00 0.00 H new ATOM 0 HE1 TYR A 532 -7.586 0.198 -0.890 1.00 0.00 H new ATOM 0 HE2 TYR A 532 -5.441 3.833 -0.082 1.00 0.00 H new ATOM 0 HH TYR A 532 -8.456 2.047 0.254 1.00 0.00 H new ATOM 349 N LEU A 533 -1.710 0.315 1.036 1.00 0.00 N ATOM 350 CA LEU A 533 -1.498 0.552 2.473 1.00 0.00 C ATOM 351 C LEU A 533 -1.664 2.005 2.871 1.00 0.00 C ATOM 352 O LEU A 533 -0.983 2.908 2.432 1.00 0.00 O ATOM 353 CB LEU A 533 -0.123 0.017 2.926 1.00 0.00 C ATOM 354 CG LEU A 533 1.026 0.896 2.423 1.00 0.00 C ATOM 355 CD1 LEU A 533 2.109 0.987 3.498 1.00 0.00 C ATOM 356 CD2 LEU A 533 1.614 0.280 1.151 1.00 0.00 C ATOM 0 H LEU A 533 -1.330 1.012 0.396 1.00 0.00 H new ATOM 0 HA LEU A 533 -2.281 -0.002 2.990 1.00 0.00 H new ATOM 0 HB2 LEU A 533 -0.093 -0.032 4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 533 0.010 -1.000 2.558 1.00 0.00 H new ATOM 0 HG LEU A 533 0.652 1.896 2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 533 2.926 1.613 3.139 1.00 0.00 H new ATOM 0 HD12 LEU A 533 1.687 1.424 4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 533 2.487 -0.011 3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 533 2.432 0.903 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 533 1.989 -0.720 1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 533 0.840 0.218 0.386 1.00 0.00 H new ATOM 368 N VAL A 534 -2.552 2.200 3.775 1.00 0.00 N ATOM 369 CA VAL A 534 -2.764 3.536 4.339 1.00 0.00 C ATOM 370 C VAL A 534 -1.595 3.685 5.316 1.00 0.00 C ATOM 371 O VAL A 534 -1.609 3.156 6.397 1.00 0.00 O ATOM 372 CB VAL A 534 -4.156 3.560 5.028 1.00 0.00 C ATOM 373 CG1 VAL A 534 -4.182 2.732 6.279 1.00 0.00 C ATOM 374 CG2 VAL A 534 -4.581 4.926 5.494 1.00 0.00 C ATOM 0 H VAL A 534 -3.156 1.472 4.157 1.00 0.00 H new ATOM 0 HA VAL A 534 -2.777 4.357 3.622 1.00 0.00 H new ATOM 0 HB VAL A 534 -4.819 3.181 4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 534 -5.175 2.779 6.726 1.00 0.00 H new ATOM 0 HG12 VAL A 534 -3.942 1.697 6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 534 -3.447 3.118 6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 534 -5.562 4.861 5.964 1.00 0.00 H new ATOM 0 HG22 VAL A 534 -3.857 5.306 6.215 1.00 0.00 H new ATOM 0 HG23 VAL A 534 -4.632 5.602 4.641 1.00 0.00 H new ATOM 384 N GLY A 535 -0.546 4.346 4.905 1.00 0.00 N ATOM 385 CA GLY A 535 0.654 4.488 5.802 1.00 0.00 C ATOM 386 C GLY A 535 0.454 5.728 6.649 1.00 0.00 C ATOM 387 O GLY A 535 -0.295 6.566 6.273 1.00 0.00 O ATOM 0 H GLY A 535 -0.461 4.794 3.993 1.00 0.00 H new ATOM 0 HA2 GLY A 535 0.765 3.607 6.434 1.00 0.00 H new ATOM 0 HA3 GLY A 535 1.566 4.572 5.210 1.00 0.00 H new ATOM 391 N SER A 536 1.026 5.762 7.844 1.00 0.00 N ATOM 392 CA SER A 536 0.788 6.884 8.868 1.00 0.00 C ATOM 393 C SER A 536 1.622 8.143 8.678 1.00 0.00 C ATOM 394 O SER A 536 2.147 8.668 9.644 1.00 0.00 O ATOM 395 CB SER A 536 1.084 6.295 10.242 1.00 0.00 C ATOM 396 OG SER A 536 1.195 7.328 11.216 1.00 0.00 O ATOM 0 H SER A 536 1.669 5.042 8.172 1.00 0.00 H new ATOM 0 HA SER A 536 -0.242 7.216 8.741 1.00 0.00 H new ATOM 0 HB2 SER A 536 0.291 5.604 10.526 1.00 0.00 H new ATOM 0 HB3 SER A 536 2.010 5.721 10.206 1.00 0.00 H new ATOM 0 HG SER A 536 1.946 7.915 10.987 1.00 0.00 H new ATOM 402 N ILE A 537 1.718 8.676 7.490 1.00 0.00 N ATOM 403 CA ILE A 537 2.445 9.942 7.352 1.00 0.00 C ATOM 404 C ILE A 537 1.484 11.095 7.122 1.00 0.00 C ATOM 405 O ILE A 537 0.451 10.956 6.533 1.00 0.00 O ATOM 406 CB ILE A 537 3.483 9.875 6.238 1.00 0.00 C ATOM 407 CG1 ILE A 537 4.214 8.522 6.371 1.00 0.00 C ATOM 408 CG2 ILE A 537 4.412 11.097 6.329 1.00 0.00 C ATOM 409 CD1 ILE A 537 5.707 8.624 6.052 1.00 0.00 C ATOM 0 H ILE A 537 1.328 8.288 6.631 1.00 0.00 H new ATOM 0 HA ILE A 537 2.976 10.118 8.287 1.00 0.00 H new ATOM 0 HB ILE A 537 3.034 9.918 5.246 1.00 0.00 H new ATOM 0 HG12 ILE A 537 4.088 8.144 7.386 1.00 0.00 H new ATOM 0 HG13 ILE A 537 3.752 7.797 5.701 1.00 0.00 H new ATOM 0 HG21 ILE A 537 5.155 11.050 5.533 1.00 0.00 H new ATOM 0 HG22 ILE A 537 3.825 12.009 6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 537 4.916 11.100 7.295 1.00 0.00 H new ATOM 0 HD11 ILE A 537 6.170 7.643 6.162 1.00 0.00 H new ATOM 0 HD12 ILE A 537 5.837 8.974 5.028 1.00 0.00 H new ATOM 0 HD13 ILE A 537 6.179 9.327 6.739 1.00 0.00 H new ATOM 421 N SER A 538 1.816 12.241 7.627 1.00 0.00 N ATOM 422 CA SER A 538 0.899 13.416 7.452 1.00 0.00 C ATOM 423 C SER A 538 0.353 13.452 6.007 1.00 0.00 C ATOM 424 O SER A 538 -0.740 13.921 5.759 1.00 0.00 O ATOM 425 CB SER A 538 1.654 14.711 7.752 1.00 0.00 C ATOM 426 OG SER A 538 1.411 15.095 9.099 1.00 0.00 O ATOM 0 H SER A 538 2.672 12.426 8.150 1.00 0.00 H new ATOM 0 HA SER A 538 0.063 13.319 8.144 1.00 0.00 H new ATOM 0 HB2 SER A 538 2.722 14.569 7.589 1.00 0.00 H new ATOM 0 HB3 SER A 538 1.331 15.500 7.073 1.00 0.00 H new ATOM 0 HG SER A 538 1.895 15.924 9.295 1.00 0.00 H new ATOM 432 N GLN A 539 1.077 12.885 5.075 1.00 0.00 N ATOM 433 CA GLN A 539 0.600 12.789 3.679 1.00 0.00 C ATOM 434 C GLN A 539 0.001 11.406 3.594 1.00 0.00 C ATOM 435 O GLN A 539 -1.101 11.196 3.131 1.00 0.00 O ATOM 436 CB GLN A 539 1.772 12.924 2.703 1.00 0.00 C ATOM 437 CG GLN A 539 1.269 13.506 1.380 1.00 0.00 C ATOM 438 CD GLN A 539 2.384 13.436 0.334 1.00 0.00 C ATOM 439 OE1 GLN A 539 2.924 14.449 -0.063 1.00 0.00 O ATOM 440 NE2 GLN A 539 2.753 12.274 -0.131 1.00 0.00 N ATOM 0 H GLN A 539 1.998 12.478 5.236 1.00 0.00 H new ATOM 0 HA GLN A 539 -0.111 13.574 3.421 1.00 0.00 H new ATOM 0 HB2 GLN A 539 2.541 13.570 3.128 1.00 0.00 H new ATOM 0 HB3 GLN A 539 2.232 11.950 2.533 1.00 0.00 H new ATOM 0 HG2 GLN A 539 0.397 12.951 1.035 1.00 0.00 H new ATOM 0 HG3 GLN A 539 0.953 14.540 1.522 1.00 0.00 H new ATOM 0 HE21 GLN A 539 2.299 11.424 0.203 1.00 0.00 H new ATOM 0 HE22 GLN A 539 3.495 12.216 -0.828 1.00 0.00 H new ATOM 449 N LEU A 540 0.739 10.465 4.125 1.00 0.00 N ATOM 450 CA LEU A 540 0.256 9.076 4.187 1.00 0.00 C ATOM 451 C LEU A 540 -0.758 9.017 5.340 1.00 0.00 C ATOM 452 O LEU A 540 -0.467 8.792 6.469 1.00 0.00 O ATOM 453 CB LEU A 540 1.428 8.095 4.400 1.00 0.00 C ATOM 454 CG LEU A 540 1.680 7.277 3.132 1.00 0.00 C ATOM 455 CD1 LEU A 540 2.647 6.133 3.457 1.00 0.00 C ATOM 456 CD2 LEU A 540 0.363 6.693 2.623 1.00 0.00 C ATOM 0 H LEU A 540 1.667 10.614 4.521 1.00 0.00 H new ATOM 0 HA LEU A 540 -0.217 8.778 3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 540 2.328 8.648 4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 540 1.204 7.427 5.232 1.00 0.00 H new ATOM 0 HG LEU A 540 2.109 7.921 2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 540 2.831 5.546 2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 540 3.588 6.545 3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 540 2.210 5.494 4.224 1.00 0.00 H new ATOM 0 HD21 LEU A 540 0.548 6.111 1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 540 -0.069 6.048 3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 540 -0.331 7.503 2.397 1.00 0.00 H new ATOM 468 N GLY A 541 -1.941 9.310 5.032 1.00 0.00 N ATOM 469 CA GLY A 541 -3.043 9.335 6.030 1.00 0.00 C ATOM 470 C GLY A 541 -3.428 7.896 6.355 1.00 0.00 C ATOM 471 O GLY A 541 -4.510 7.453 6.061 1.00 0.00 O ATOM 0 H GLY A 541 -2.233 9.550 4.085 1.00 0.00 H new ATOM 0 HA2 GLY A 541 -2.725 9.856 6.933 1.00 0.00 H new ATOM 0 HA3 GLY A 541 -3.902 9.877 5.634 1.00 0.00 H new ATOM 475 N ASP A 542 -2.521 7.208 6.992 1.00 0.00 N ATOM 476 CA ASP A 542 -2.693 5.755 7.434 1.00 0.00 C ATOM 477 C ASP A 542 -3.981 5.568 8.142 1.00 0.00 C ATOM 478 O ASP A 542 -4.378 4.495 8.479 1.00 0.00 O ATOM 479 CB ASP A 542 -1.651 5.433 8.469 1.00 0.00 C ATOM 480 CG ASP A 542 -1.546 3.940 8.801 1.00 0.00 C ATOM 481 OD1 ASP A 542 -2.511 3.227 8.633 1.00 0.00 O ATOM 482 OD2 ASP A 542 -0.472 3.530 9.210 1.00 0.00 O ATOM 0 H ASP A 542 -1.614 7.599 7.246 1.00 0.00 H new ATOM 0 HA ASP A 542 -2.628 5.134 6.541 1.00 0.00 H new ATOM 0 HB2 ASP A 542 -0.682 5.786 8.117 1.00 0.00 H new ATOM 0 HB3 ASP A 542 -1.878 5.983 9.382 1.00 0.00 H new ATOM 487 N TRP A 543 -4.577 6.603 8.449 1.00 0.00 N ATOM 488 CA TRP A 543 -5.771 6.533 9.230 1.00 0.00 C ATOM 489 C TRP A 543 -6.863 7.246 8.447 1.00 0.00 C ATOM 490 O TRP A 543 -7.680 7.994 8.944 1.00 0.00 O ATOM 491 CB TRP A 543 -5.334 7.167 10.522 1.00 0.00 C ATOM 492 CG TRP A 543 -3.889 6.687 10.839 1.00 0.00 C ATOM 493 CD1 TRP A 543 -2.771 7.480 10.969 1.00 0.00 C ATOM 494 CD2 TRP A 543 -3.368 5.309 10.961 1.00 0.00 C ATOM 495 NE1 TRP A 543 -1.696 6.705 11.320 1.00 0.00 N ATOM 496 CE2 TRP A 543 -1.994 5.372 11.309 1.00 0.00 C ATOM 497 CE3 TRP A 543 -3.940 4.033 10.855 1.00 0.00 C ATOM 498 CZ2 TRP A 543 -1.235 4.235 11.538 1.00 0.00 C ATOM 499 CZ3 TRP A 543 -3.162 2.878 11.068 1.00 0.00 C ATOM 500 CH2 TRP A 543 -1.815 2.983 11.417 1.00 0.00 C ATOM 0 H TRP A 543 -4.284 7.544 8.186 1.00 0.00 H new ATOM 0 HA TRP A 543 -6.198 5.552 9.441 1.00 0.00 H new ATOM 0 HB2 TRP A 543 -5.364 8.254 10.441 1.00 0.00 H new ATOM 0 HB3 TRP A 543 -6.012 6.889 11.329 1.00 0.00 H new ATOM 0 HD1 TRP A 543 -2.745 8.549 10.818 1.00 0.00 H new ATOM 0 HE1 TRP A 543 -0.779 7.081 11.562 1.00 0.00 H new ATOM 0 HE3 TRP A 543 -4.987 3.935 10.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 543 -0.194 4.325 11.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 543 -3.612 1.902 10.960 1.00 0.00 H new ATOM 0 HH2 TRP A 543 -1.228 2.093 11.592 1.00 0.00 H new ATOM 511 N GLU A 544 -6.820 6.949 7.182 1.00 0.00 N ATOM 512 CA GLU A 544 -7.748 7.468 6.160 1.00 0.00 C ATOM 513 C GLU A 544 -7.174 6.990 4.844 1.00 0.00 C ATOM 514 O GLU A 544 -6.291 7.609 4.295 1.00 0.00 O ATOM 515 CB GLU A 544 -7.779 8.990 6.162 1.00 0.00 C ATOM 516 CG GLU A 544 -8.850 9.476 5.185 1.00 0.00 C ATOM 517 CD GLU A 544 -9.200 10.933 5.492 1.00 0.00 C ATOM 518 OE1 GLU A 544 -8.296 11.682 5.823 1.00 0.00 O ATOM 519 OE2 GLU A 544 -10.367 11.275 5.391 1.00 0.00 O ATOM 0 H GLU A 544 -6.119 6.316 6.795 1.00 0.00 H new ATOM 0 HA GLU A 544 -8.767 7.126 6.341 1.00 0.00 H new ATOM 0 HB2 GLU A 544 -7.991 9.359 7.165 1.00 0.00 H new ATOM 0 HB3 GLU A 544 -6.804 9.385 5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 544 -8.490 9.386 4.160 1.00 0.00 H new ATOM 0 HG3 GLU A 544 -9.740 8.853 5.266 1.00 0.00 H new ATOM 526 N THR A 545 -7.628 5.875 4.350 1.00 0.00 N ATOM 527 CA THR A 545 -7.057 5.349 3.082 1.00 0.00 C ATOM 528 C THR A 545 -7.014 6.466 2.025 1.00 0.00 C ATOM 529 O THR A 545 -6.345 6.352 1.019 1.00 0.00 O ATOM 530 CB THR A 545 -7.939 4.218 2.539 1.00 0.00 C ATOM 531 OG1 THR A 545 -9.297 4.635 2.555 1.00 0.00 O ATOM 532 CG2 THR A 545 -7.784 2.966 3.397 1.00 0.00 C ATOM 0 H THR A 545 -8.366 5.307 4.767 1.00 0.00 H new ATOM 0 HA THR A 545 -6.052 4.979 3.285 1.00 0.00 H new ATOM 0 HB THR A 545 -7.632 3.987 1.519 1.00 0.00 H new ATOM 0 HG1 THR A 545 -9.864 3.916 2.207 1.00 0.00 H new ATOM 0 HG21 THR A 545 -8.416 2.172 2.999 1.00 0.00 H new ATOM 0 HG22 THR A 545 -6.743 2.642 3.384 1.00 0.00 H new ATOM 0 HG23 THR A 545 -8.082 3.188 4.422 1.00 0.00 H new ATOM 540 N SER A 546 -7.746 7.536 2.234 1.00 0.00 N ATOM 541 CA SER A 546 -7.770 8.643 1.233 1.00 0.00 C ATOM 542 C SER A 546 -6.349 9.019 0.802 1.00 0.00 C ATOM 543 O SER A 546 -6.152 9.626 -0.232 1.00 0.00 O ATOM 544 CB SER A 546 -8.449 9.865 1.851 1.00 0.00 C ATOM 545 OG SER A 546 -9.696 9.477 2.411 1.00 0.00 O ATOM 0 H SER A 546 -8.328 7.687 3.058 1.00 0.00 H new ATOM 0 HA SER A 546 -8.322 8.308 0.355 1.00 0.00 H new ATOM 0 HB2 SER A 546 -7.811 10.299 2.621 1.00 0.00 H new ATOM 0 HB3 SER A 546 -8.601 10.633 1.093 1.00 0.00 H new ATOM 0 HG SER A 546 -10.133 10.258 2.810 1.00 0.00 H new ATOM 551 N ASP A 547 -5.359 8.686 1.581 1.00 0.00 N ATOM 552 CA ASP A 547 -3.969 9.055 1.196 1.00 0.00 C ATOM 553 C ASP A 547 -2.989 7.931 1.547 1.00 0.00 C ATOM 554 O ASP A 547 -1.920 8.180 2.062 1.00 0.00 O ATOM 555 CB ASP A 547 -3.563 10.328 1.940 1.00 0.00 C ATOM 556 CG ASP A 547 -4.583 11.433 1.657 1.00 0.00 C ATOM 557 OD1 ASP A 547 -5.719 11.285 2.078 1.00 0.00 O ATOM 558 OD2 ASP A 547 -4.211 12.408 1.025 1.00 0.00 O ATOM 0 H ASP A 547 -5.450 8.178 2.461 1.00 0.00 H new ATOM 0 HA ASP A 547 -3.938 9.220 0.119 1.00 0.00 H new ATOM 0 HB2 ASP A 547 -3.509 10.134 3.011 1.00 0.00 H new ATOM 0 HB3 ASP A 547 -2.570 10.646 1.623 1.00 0.00 H new ATOM 563 N GLY A 548 -3.318 6.701 1.253 1.00 0.00 N ATOM 564 CA GLY A 548 -2.375 5.598 1.552 1.00 0.00 C ATOM 565 C GLY A 548 -1.480 5.413 0.339 1.00 0.00 C ATOM 566 O GLY A 548 -0.837 6.334 -0.124 1.00 0.00 O ATOM 0 H GLY A 548 -4.197 6.419 0.820 1.00 0.00 H new ATOM 0 HA2 GLY A 548 -1.779 5.833 2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 548 -2.919 4.679 1.770 1.00 0.00 H new ATOM 570 N ILE A 549 -1.466 4.238 -0.200 1.00 0.00 N ATOM 571 CA ILE A 549 -0.646 3.998 -1.418 1.00 0.00 C ATOM 572 C ILE A 549 -1.192 2.810 -2.190 1.00 0.00 C ATOM 573 O ILE A 549 -0.718 1.715 -2.054 1.00 0.00 O ATOM 574 CB ILE A 549 0.825 3.760 -1.049 1.00 0.00 C ATOM 575 CG1 ILE A 549 0.913 3.206 0.368 1.00 0.00 C ATOM 576 CG2 ILE A 549 1.607 5.073 -1.118 1.00 0.00 C ATOM 577 CD1 ILE A 549 2.381 3.068 0.773 1.00 0.00 C ATOM 0 H ILE A 549 -1.984 3.430 0.145 1.00 0.00 H new ATOM 0 HA ILE A 549 -0.700 4.886 -2.048 1.00 0.00 H new ATOM 0 HB ILE A 549 1.252 3.048 -1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 549 0.394 3.868 1.061 1.00 0.00 H new ATOM 0 HG13 ILE A 549 0.417 2.237 0.422 1.00 0.00 H new ATOM 0 HG21 ILE A 549 2.649 4.890 -0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 549 1.554 5.475 -2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 549 1.176 5.790 -0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 549 2.443 2.672 1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 549 2.886 2.388 0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 549 2.862 4.045 0.735 1.00 0.00 H new ATOM 589 N ALA A 550 -2.203 3.068 -2.982 1.00 0.00 N ATOM 590 CA ALA A 550 -2.912 2.033 -3.812 1.00 0.00 C ATOM 591 C ALA A 550 -1.991 1.197 -4.744 1.00 0.00 C ATOM 592 O ALA A 550 -1.146 1.724 -5.441 1.00 0.00 O ATOM 593 CB ALA A 550 -3.945 2.788 -4.625 1.00 0.00 C ATOM 0 H ALA A 550 -2.588 4.006 -3.094 1.00 0.00 H new ATOM 0 HA ALA A 550 -3.350 1.291 -3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 550 -4.497 2.088 -5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 550 -4.637 3.296 -3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 550 -3.445 3.524 -5.255 1.00 0.00 H new ATOM 599 N LEU A 551 -2.198 -0.121 -4.771 1.00 0.00 N ATOM 600 CA LEU A 551 -1.398 -1.047 -5.667 1.00 0.00 C ATOM 601 C LEU A 551 -2.370 -1.785 -6.578 1.00 0.00 C ATOM 602 O LEU A 551 -3.393 -2.272 -6.117 1.00 0.00 O ATOM 603 CB LEU A 551 -0.710 -2.190 -4.872 1.00 0.00 C ATOM 604 CG LEU A 551 0.295 -1.722 -3.821 1.00 0.00 C ATOM 605 CD1 LEU A 551 0.023 -0.293 -3.394 1.00 0.00 C ATOM 606 CD2 LEU A 551 0.206 -2.638 -2.598 1.00 0.00 C ATOM 0 H LEU A 551 -2.898 -0.595 -4.200 1.00 0.00 H new ATOM 0 HA LEU A 551 -0.663 -0.427 -6.180 1.00 0.00 H new ATOM 0 HB2 LEU A 551 -1.479 -2.786 -4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 551 -0.199 -2.847 -5.576 1.00 0.00 H new ATOM 0 HG LEU A 551 1.292 -1.764 -4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 551 0.756 0.009 -2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 551 0.096 0.366 -4.260 1.00 0.00 H new ATOM 0 HD13 LEU A 551 -0.979 -0.225 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 551 0.921 -2.309 -1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 551 -0.802 -2.596 -2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 551 0.435 -3.662 -2.893 1.00 0.00 H new ATOM 618 N SER A 552 -2.041 -1.963 -7.835 1.00 0.00 N ATOM 619 CA SER A 552 -2.968 -2.784 -8.677 1.00 0.00 C ATOM 620 C SER A 552 -2.169 -3.838 -9.403 1.00 0.00 C ATOM 621 O SER A 552 -1.935 -4.860 -8.833 1.00 0.00 O ATOM 622 CB SER A 552 -3.773 -2.003 -9.699 1.00 0.00 C ATOM 623 OG SER A 552 -5.092 -2.537 -9.742 1.00 0.00 O ATOM 0 H SER A 552 -1.210 -1.595 -8.299 1.00 0.00 H new ATOM 0 HA SER A 552 -3.692 -3.211 -7.983 1.00 0.00 H new ATOM 0 HB2 SER A 552 -3.801 -0.947 -9.431 1.00 0.00 H new ATOM 0 HB3 SER A 552 -3.305 -2.071 -10.681 1.00 0.00 H new ATOM 0 HG SER A 552 -5.057 -3.473 -10.032 1.00 0.00 H new ATOM 629 N ALA A 553 -1.761 -3.651 -10.648 1.00 0.00 N ATOM 630 CA ALA A 553 -1.035 -4.766 -11.298 1.00 0.00 C ATOM 631 C ALA A 553 0.167 -4.397 -12.170 1.00 0.00 C ATOM 632 O ALA A 553 0.067 -3.726 -13.178 1.00 0.00 O ATOM 633 CB ALA A 553 -2.022 -5.548 -12.174 1.00 0.00 C ATOM 0 H ALA A 553 -1.898 -2.809 -11.207 1.00 0.00 H new ATOM 0 HA ALA A 553 -0.623 -5.339 -10.467 1.00 0.00 H new ATOM 0 HB1 ALA A 553 -1.502 -6.373 -12.660 1.00 0.00 H new ATOM 0 HB2 ALA A 553 -2.827 -5.942 -11.553 1.00 0.00 H new ATOM 0 HB3 ALA A 553 -2.440 -4.885 -12.932 1.00 0.00 H new ATOM 639 N ASP A 554 1.284 -4.999 -11.820 1.00 0.00 N ATOM 640 CA ASP A 554 2.531 -4.888 -12.640 1.00 0.00 C ATOM 641 C ASP A 554 2.467 -5.920 -13.760 1.00 0.00 C ATOM 642 O ASP A 554 3.482 -6.322 -14.293 1.00 0.00 O ATOM 643 CB ASP A 554 3.778 -5.187 -11.794 1.00 0.00 C ATOM 644 CG ASP A 554 3.837 -6.678 -11.457 1.00 0.00 C ATOM 645 OD1 ASP A 554 2.806 -7.322 -11.530 1.00 0.00 O ATOM 646 OD2 ASP A 554 4.914 -7.149 -11.130 1.00 0.00 O ATOM 0 H ASP A 554 1.382 -5.573 -10.983 1.00 0.00 H new ATOM 0 HA ASP A 554 2.599 -3.873 -13.031 1.00 0.00 H new ATOM 0 HB2 ASP A 554 4.676 -4.893 -12.338 1.00 0.00 H new ATOM 0 HB3 ASP A 554 3.755 -4.599 -10.876 1.00 0.00 H new ATOM 651 N LYS A 555 1.284 -6.342 -14.141 1.00 0.00 N ATOM 652 CA LYS A 555 1.178 -7.327 -15.249 1.00 0.00 C ATOM 653 C LYS A 555 1.718 -8.689 -14.759 1.00 0.00 C ATOM 654 O LYS A 555 2.901 -8.953 -14.846 1.00 0.00 O ATOM 655 CB LYS A 555 2.019 -6.796 -16.424 1.00 0.00 C ATOM 656 CG LYS A 555 2.063 -5.240 -16.430 1.00 0.00 C ATOM 657 CD LYS A 555 3.519 -4.781 -16.527 1.00 0.00 C ATOM 658 CE LYS A 555 3.785 -3.697 -15.478 1.00 0.00 C ATOM 659 NZ LYS A 555 5.100 -3.051 -15.754 1.00 0.00 N ATOM 0 H LYS A 555 0.397 -6.046 -13.732 1.00 0.00 H new ATOM 0 HA LYS A 555 0.145 -7.462 -15.569 1.00 0.00 H new ATOM 0 HB2 LYS A 555 3.033 -7.190 -16.356 1.00 0.00 H new ATOM 0 HB3 LYS A 555 1.600 -7.154 -17.365 1.00 0.00 H new ATOM 0 HG2 LYS A 555 1.489 -4.851 -17.271 1.00 0.00 H new ATOM 0 HG3 LYS A 555 1.605 -4.847 -15.522 1.00 0.00 H new ATOM 0 HD2 LYS A 555 4.189 -5.626 -16.370 1.00 0.00 H new ATOM 0 HD3 LYS A 555 3.723 -4.394 -17.525 1.00 0.00 H new ATOM 0 HE2 LYS A 555 2.990 -2.952 -15.500 1.00 0.00 H new ATOM 0 HE3 LYS A 555 3.785 -4.134 -14.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 555 5.281 -2.315 -15.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 555 5.854 -3.766 -15.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 555 5.083 -2.621 -16.701 1.00 0.00 H new ATOM 730 N ASP A 560 -5.349 -8.899 -10.121 1.00 0.00 N ATOM 731 CA ASP A 560 -4.585 -7.876 -9.263 1.00 0.00 C ATOM 732 C ASP A 560 -3.730 -8.525 -8.092 1.00 0.00 C ATOM 733 O ASP A 560 -3.326 -7.809 -7.224 1.00 0.00 O ATOM 734 CB ASP A 560 -5.607 -6.956 -8.608 1.00 0.00 C ATOM 735 CG ASP A 560 -5.072 -5.523 -8.603 1.00 0.00 C ATOM 736 OD1 ASP A 560 -4.487 -5.126 -9.597 1.00 0.00 O ATOM 737 OD2 ASP A 560 -5.257 -4.846 -7.605 1.00 0.00 O ATOM 0 HA ASP A 560 -3.895 -7.361 -9.931 1.00 0.00 H new ATOM 0 HB2 ASP A 560 -6.552 -7.001 -9.149 1.00 0.00 H new ATOM 0 HB3 ASP A 560 -5.807 -7.285 -7.588 1.00 0.00 H new ATOM 742 N PRO A 561 -3.480 -9.842 -8.097 1.00 0.00 N ATOM 743 CA PRO A 561 -2.717 -10.616 -7.031 1.00 0.00 C ATOM 744 C PRO A 561 -1.335 -10.157 -6.538 1.00 0.00 C ATOM 745 O PRO A 561 -1.173 -10.087 -5.371 1.00 0.00 O ATOM 746 CB PRO A 561 -2.650 -12.026 -7.585 1.00 0.00 C ATOM 747 CG PRO A 561 -2.964 -11.871 -9.061 1.00 0.00 C ATOM 748 CD PRO A 561 -3.883 -10.707 -9.184 1.00 0.00 C ATOM 0 HA PRO A 561 -3.268 -10.463 -6.103 1.00 0.00 H new ATOM 0 HB2 PRO A 561 -1.664 -12.465 -7.433 1.00 0.00 H new ATOM 0 HB3 PRO A 561 -3.370 -12.680 -7.093 1.00 0.00 H new ATOM 0 HG2 PRO A 561 -2.052 -11.706 -9.635 1.00 0.00 H new ATOM 0 HG3 PRO A 561 -3.430 -12.775 -9.454 1.00 0.00 H new ATOM 0 HD2 PRO A 561 -3.778 -10.213 -10.150 1.00 0.00 H new ATOM 0 HD3 PRO A 561 -4.927 -11.008 -9.092 1.00 0.00 H new ATOM 756 N LEU A 562 -0.315 -9.940 -7.308 1.00 0.00 N ATOM 757 CA LEU A 562 0.973 -9.532 -6.652 1.00 0.00 C ATOM 758 C LEU A 562 0.873 -8.056 -6.258 1.00 0.00 C ATOM 759 O LEU A 562 1.751 -7.524 -5.623 1.00 0.00 O ATOM 760 CB LEU A 562 2.195 -9.747 -7.573 1.00 0.00 C ATOM 761 CG LEU A 562 2.031 -9.072 -8.950 1.00 0.00 C ATOM 762 CD1 LEU A 562 1.386 -7.683 -8.828 1.00 0.00 C ATOM 763 CD2 LEU A 562 3.408 -8.908 -9.586 1.00 0.00 C ATOM 0 H LEU A 562 -0.301 -10.020 -8.325 1.00 0.00 H new ATOM 0 HA LEU A 562 1.123 -10.159 -5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 562 3.086 -9.354 -7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 562 2.354 -10.816 -7.714 1.00 0.00 H new ATOM 0 HG LEU A 562 1.384 -9.702 -9.560 1.00 0.00 H new ATOM 0 HD11 LEU A 562 1.287 -7.239 -9.819 1.00 0.00 H new ATOM 0 HD12 LEU A 562 0.400 -7.778 -8.373 1.00 0.00 H new ATOM 0 HD13 LEU A 562 2.013 -7.044 -8.205 1.00 0.00 H new ATOM 0 HD21 LEU A 562 3.304 -8.431 -10.561 1.00 0.00 H new ATOM 0 HD22 LEU A 562 4.034 -8.288 -8.944 1.00 0.00 H new ATOM 0 HD23 LEU A 562 3.871 -9.887 -9.708 1.00 0.00 H new ATOM 775 N TRP A 563 -0.189 -7.403 -6.686 1.00 0.00 N ATOM 776 CA TRP A 563 -0.398 -5.931 -6.418 1.00 0.00 C ATOM 777 C TRP A 563 0.918 -5.135 -6.385 1.00 0.00 C ATOM 778 O TRP A 563 1.627 -5.110 -5.398 1.00 0.00 O ATOM 779 CB TRP A 563 -1.142 -5.723 -5.116 1.00 0.00 C ATOM 780 CG TRP A 563 -2.255 -6.707 -5.025 1.00 0.00 C ATOM 781 CD1 TRP A 563 -2.080 -8.020 -4.897 1.00 0.00 C ATOM 782 CD2 TRP A 563 -3.686 -6.488 -5.053 1.00 0.00 C ATOM 783 NE1 TRP A 563 -3.315 -8.657 -4.815 1.00 0.00 N ATOM 784 CE2 TRP A 563 -4.337 -7.739 -4.900 1.00 0.00 C ATOM 785 CE3 TRP A 563 -4.476 -5.343 -5.185 1.00 0.00 C ATOM 786 CZ2 TRP A 563 -5.711 -7.837 -4.880 1.00 0.00 C ATOM 787 CZ3 TRP A 563 -5.869 -5.454 -5.163 1.00 0.00 C ATOM 788 CH2 TRP A 563 -6.478 -6.694 -5.009 1.00 0.00 C ATOM 0 H TRP A 563 -0.939 -7.838 -7.223 1.00 0.00 H new ATOM 0 HA TRP A 563 -0.992 -5.553 -7.250 1.00 0.00 H new ATOM 0 HB2 TRP A 563 -0.463 -5.845 -4.272 1.00 0.00 H new ATOM 0 HB3 TRP A 563 -1.534 -4.707 -5.066 1.00 0.00 H new ATOM 0 HD1 TRP A 563 -1.122 -8.517 -4.862 1.00 0.00 H new ATOM 0 HE1 TRP A 563 -3.444 -9.663 -4.707 1.00 0.00 H new ATOM 0 HE3 TRP A 563 -4.012 -4.375 -5.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 563 -6.186 -8.800 -4.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 563 -6.478 -4.568 -5.267 1.00 0.00 H new ATOM 0 HH2 TRP A 563 -7.556 -6.765 -4.990 1.00 0.00 H new ATOM 799 N TYR A 564 1.224 -4.449 -7.454 1.00 0.00 N ATOM 800 CA TYR A 564 2.491 -3.622 -7.487 1.00 0.00 C ATOM 801 C TYR A 564 2.200 -2.155 -7.114 1.00 0.00 C ATOM 802 O TYR A 564 1.058 -1.761 -6.960 1.00 0.00 O ATOM 803 CB TYR A 564 3.090 -3.669 -8.908 1.00 0.00 C ATOM 804 CG TYR A 564 2.173 -2.947 -9.890 1.00 0.00 C ATOM 805 CD1 TYR A 564 0.907 -2.572 -9.481 1.00 0.00 C ATOM 806 CD2 TYR A 564 2.587 -2.643 -11.196 1.00 0.00 C ATOM 807 CE1 TYR A 564 0.055 -1.907 -10.316 1.00 0.00 C ATOM 808 CE2 TYR A 564 1.715 -1.976 -12.069 1.00 0.00 C ATOM 809 CZ TYR A 564 0.441 -1.602 -11.624 1.00 0.00 C ATOM 810 OH TYR A 564 -0.421 -0.930 -12.467 1.00 0.00 O ATOM 0 H TYR A 564 0.663 -4.418 -8.306 1.00 0.00 H new ATOM 0 HA TYR A 564 3.193 -4.035 -6.763 1.00 0.00 H new ATOM 0 HB2 TYR A 564 4.076 -3.204 -8.911 1.00 0.00 H new ATOM 0 HB3 TYR A 564 3.225 -4.705 -9.220 1.00 0.00 H new ATOM 0 HD1 TYR A 564 0.584 -2.810 -8.478 1.00 0.00 H new ATOM 0 HD2 TYR A 564 3.576 -2.922 -11.528 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -0.923 -1.615 -9.963 1.00 0.00 H new ATOM 0 HE2 TYR A 564 2.025 -1.752 -13.079 1.00 0.00 H new ATOM 0 HH TYR A 564 -0.710 -1.530 -13.186 1.00 0.00 H new ATOM 820 N VAL A 565 3.204 -1.323 -6.980 1.00 0.00 N ATOM 821 CA VAL A 565 2.893 0.100 -6.657 1.00 0.00 C ATOM 822 C VAL A 565 4.137 0.976 -6.605 1.00 0.00 C ATOM 823 O VAL A 565 5.243 0.528 -6.376 1.00 0.00 O ATOM 824 CB VAL A 565 2.205 0.172 -5.313 1.00 0.00 C ATOM 825 CG1 VAL A 565 3.122 -0.443 -4.267 1.00 0.00 C ATOM 826 CG2 VAL A 565 1.932 1.635 -4.954 1.00 0.00 C ATOM 0 H VAL A 565 4.192 -1.557 -7.077 1.00 0.00 H new ATOM 0 HA VAL A 565 2.250 0.473 -7.454 1.00 0.00 H new ATOM 0 HB VAL A 565 1.260 -0.369 -5.349 1.00 0.00 H new ATOM 0 HG11 VAL A 565 2.640 -0.399 -3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 565 3.324 -1.482 -4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 565 4.060 0.111 -4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 565 1.436 1.685 -3.985 1.00 0.00 H new ATOM 0 HG22 VAL A 565 2.875 2.180 -4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 565 1.291 2.082 -5.713 1.00 0.00 H new ATOM 836 N THR A 566 3.920 2.245 -6.792 1.00 0.00 N ATOM 837 CA THR A 566 5.031 3.239 -6.736 1.00 0.00 C ATOM 838 C THR A 566 4.437 4.594 -6.339 1.00 0.00 C ATOM 839 O THR A 566 3.836 5.276 -7.146 1.00 0.00 O ATOM 840 CB THR A 566 5.700 3.353 -8.108 1.00 0.00 C ATOM 841 OG1 THR A 566 6.029 2.054 -8.581 1.00 0.00 O ATOM 842 CG2 THR A 566 6.974 4.192 -7.985 1.00 0.00 C ATOM 0 H THR A 566 3.002 2.646 -6.985 1.00 0.00 H new ATOM 0 HA THR A 566 5.780 2.924 -6.009 1.00 0.00 H new ATOM 0 HB THR A 566 5.017 3.833 -8.809 1.00 0.00 H new ATOM 0 HG1 THR A 566 6.456 2.124 -9.460 1.00 0.00 H new ATOM 0 HG21 THR A 566 7.451 4.274 -8.961 1.00 0.00 H new ATOM 0 HG22 THR A 566 6.720 5.187 -7.620 1.00 0.00 H new ATOM 0 HG23 THR A 566 7.659 3.713 -7.285 1.00 0.00 H new ATOM 850 N VAL A 567 4.574 4.983 -5.098 1.00 0.00 N ATOM 851 CA VAL A 567 3.985 6.285 -4.661 1.00 0.00 C ATOM 852 C VAL A 567 5.067 7.184 -4.056 1.00 0.00 C ATOM 853 O VAL A 567 6.245 6.925 -4.189 1.00 0.00 O ATOM 854 CB VAL A 567 2.897 6.024 -3.617 1.00 0.00 C ATOM 855 CG1 VAL A 567 1.830 7.118 -3.707 1.00 0.00 C ATOM 856 CG2 VAL A 567 2.247 4.662 -3.878 1.00 0.00 C ATOM 0 H VAL A 567 5.064 4.460 -4.372 1.00 0.00 H new ATOM 0 HA VAL A 567 3.555 6.787 -5.528 1.00 0.00 H new ATOM 0 HB VAL A 567 3.345 6.028 -2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 567 1.055 6.932 -2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 567 2.288 8.089 -3.519 1.00 0.00 H new ATOM 0 HG13 VAL A 567 1.386 7.113 -4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 567 1.473 4.480 -3.133 1.00 0.00 H new ATOM 0 HG22 VAL A 567 1.802 4.656 -4.873 1.00 0.00 H new ATOM 0 HG23 VAL A 567 3.003 3.880 -3.814 1.00 0.00 H new ATOM 866 N THR A 568 4.671 8.247 -3.399 1.00 0.00 N ATOM 867 CA THR A 568 5.673 9.173 -2.793 1.00 0.00 C ATOM 868 C THR A 568 5.427 9.313 -1.287 1.00 0.00 C ATOM 869 O THR A 568 4.381 8.962 -0.779 1.00 0.00 O ATOM 870 CB THR A 568 5.558 10.549 -3.454 1.00 0.00 C ATOM 871 OG1 THR A 568 4.215 10.767 -3.861 1.00 0.00 O ATOM 872 CG2 THR A 568 6.480 10.612 -4.673 1.00 0.00 C ATOM 0 H THR A 568 3.696 8.512 -3.257 1.00 0.00 H new ATOM 0 HA THR A 568 6.671 8.766 -2.953 1.00 0.00 H new ATOM 0 HB THR A 568 5.851 11.320 -2.741 1.00 0.00 H new ATOM 0 HG1 THR A 568 4.140 11.648 -4.283 1.00 0.00 H new ATOM 0 HG21 THR A 568 6.397 11.592 -5.142 1.00 0.00 H new ATOM 0 HG22 THR A 568 7.511 10.447 -4.359 1.00 0.00 H new ATOM 0 HG23 THR A 568 6.191 9.842 -5.388 1.00 0.00 H new ATOM 880 N LEU A 569 6.394 9.828 -0.574 1.00 0.00 N ATOM 881 CA LEU A 569 6.246 10.003 0.900 1.00 0.00 C ATOM 882 C LEU A 569 7.287 11.041 1.370 1.00 0.00 C ATOM 883 O LEU A 569 8.404 10.700 1.694 1.00 0.00 O ATOM 884 CB LEU A 569 6.470 8.637 1.579 1.00 0.00 C ATOM 885 CG LEU A 569 6.238 8.723 3.091 1.00 0.00 C ATOM 886 CD1 LEU A 569 7.477 9.339 3.746 1.00 0.00 C ATOM 887 CD2 LEU A 569 4.984 9.570 3.385 1.00 0.00 C ATOM 0 H LEU A 569 7.288 10.138 -0.954 1.00 0.00 H new ATOM 0 HA LEU A 569 5.251 10.361 1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 569 5.795 7.898 1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 569 7.486 8.293 1.384 1.00 0.00 H new ATOM 0 HG LEU A 569 6.074 7.726 3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 569 7.324 9.406 4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 569 8.346 8.714 3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 569 7.645 10.337 3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 569 4.827 9.626 4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 569 5.122 10.575 2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 569 4.115 9.109 2.915 1.00 0.00 H new ATOM 899 N PRO A 570 6.893 12.293 1.340 1.00 0.00 N ATOM 900 CA PRO A 570 7.770 13.425 1.715 1.00 0.00 C ATOM 901 C PRO A 570 7.801 13.678 3.232 1.00 0.00 C ATOM 902 O PRO A 570 6.848 14.167 3.806 1.00 0.00 O ATOM 903 CB PRO A 570 7.117 14.616 1.008 1.00 0.00 C ATOM 904 CG PRO A 570 5.633 14.231 0.776 1.00 0.00 C ATOM 905 CD PRO A 570 5.541 12.699 0.909 1.00 0.00 C ATOM 0 HA PRO A 570 8.807 13.241 1.434 1.00 0.00 H new ATOM 0 HB2 PRO A 570 7.193 15.517 1.616 1.00 0.00 H new ATOM 0 HB3 PRO A 570 7.616 14.826 0.062 1.00 0.00 H new ATOM 0 HG2 PRO A 570 4.988 14.721 1.506 1.00 0.00 H new ATOM 0 HG3 PRO A 570 5.300 14.553 -0.211 1.00 0.00 H new ATOM 0 HD2 PRO A 570 4.786 12.407 1.639 1.00 0.00 H new ATOM 0 HD3 PRO A 570 5.267 12.232 -0.037 1.00 0.00 H new ATOM 913 N ALA A 571 8.902 13.383 3.880 1.00 0.00 N ATOM 914 CA ALA A 571 8.998 13.649 5.350 1.00 0.00 C ATOM 915 C ALA A 571 10.477 13.637 5.789 1.00 0.00 C ATOM 916 O ALA A 571 11.370 13.735 4.971 1.00 0.00 O ATOM 917 CB ALA A 571 8.195 12.602 6.119 1.00 0.00 C ATOM 0 H ALA A 571 9.734 12.972 3.457 1.00 0.00 H new ATOM 0 HA ALA A 571 8.582 14.632 5.569 1.00 0.00 H new ATOM 0 HB1 ALA A 571 8.268 12.800 7.188 1.00 0.00 H new ATOM 0 HB2 ALA A 571 7.150 12.648 5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 571 8.593 11.610 5.906 1.00 0.00 H new ATOM 923 N GLY A 572 10.747 13.532 7.073 1.00 0.00 N ATOM 924 CA GLY A 572 12.175 13.531 7.545 1.00 0.00 C ATOM 925 C GLY A 572 12.306 12.745 8.863 1.00 0.00 C ATOM 926 O GLY A 572 13.036 13.128 9.755 1.00 0.00 O ATOM 0 H GLY A 572 10.047 13.448 7.810 1.00 0.00 H new ATOM 0 HA2 GLY A 572 12.816 13.086 6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 572 12.517 14.556 7.690 1.00 0.00 H new ATOM 930 N GLU A 573 11.599 11.655 8.988 1.00 0.00 N ATOM 931 CA GLU A 573 11.663 10.831 10.242 1.00 0.00 C ATOM 932 C GLU A 573 11.071 9.441 9.960 1.00 0.00 C ATOM 933 O GLU A 573 11.282 8.874 8.907 1.00 0.00 O ATOM 934 CB GLU A 573 10.854 11.527 11.341 1.00 0.00 C ATOM 935 CG GLU A 573 11.385 11.104 12.712 1.00 0.00 C ATOM 936 CD GLU A 573 12.333 12.179 13.246 1.00 0.00 C ATOM 937 OE1 GLU A 573 12.302 13.281 12.724 1.00 0.00 O ATOM 938 OE2 GLU A 573 13.074 11.882 14.169 1.00 0.00 O ATOM 0 H GLU A 573 10.972 11.292 8.271 1.00 0.00 H new ATOM 0 HA GLU A 573 12.698 10.724 10.568 1.00 0.00 H new ATOM 0 HB2 GLU A 573 10.925 12.609 11.230 1.00 0.00 H new ATOM 0 HB3 GLU A 573 9.799 11.266 11.251 1.00 0.00 H new ATOM 0 HG2 GLU A 573 10.557 10.958 13.405 1.00 0.00 H new ATOM 0 HG3 GLU A 573 11.907 10.150 12.633 1.00 0.00 H new ATOM 945 N SER A 574 10.300 8.899 10.877 1.00 0.00 N ATOM 946 CA SER A 574 9.664 7.558 10.626 1.00 0.00 C ATOM 947 C SER A 574 8.187 7.583 11.064 1.00 0.00 C ATOM 948 O SER A 574 7.890 7.701 12.236 1.00 0.00 O ATOM 949 CB SER A 574 10.417 6.472 11.396 1.00 0.00 C ATOM 950 OG SER A 574 10.152 6.613 12.785 1.00 0.00 O ATOM 0 H SER A 574 10.084 9.321 11.780 1.00 0.00 H new ATOM 0 HA SER A 574 9.713 7.338 9.560 1.00 0.00 H new ATOM 0 HB2 SER A 574 10.107 5.485 11.053 1.00 0.00 H new ATOM 0 HB3 SER A 574 11.488 6.553 11.208 1.00 0.00 H new ATOM 0 HG SER A 574 9.488 7.321 12.921 1.00 0.00 H new ATOM 956 N PHE A 575 7.247 7.453 10.136 1.00 0.00 N ATOM 957 CA PHE A 575 5.800 7.454 10.559 1.00 0.00 C ATOM 958 C PHE A 575 5.326 6.024 10.802 1.00 0.00 C ATOM 959 O PHE A 575 6.116 5.101 10.837 1.00 0.00 O ATOM 960 CB PHE A 575 4.914 8.125 9.520 1.00 0.00 C ATOM 961 CG PHE A 575 4.636 9.551 9.962 1.00 0.00 C ATOM 962 CD1 PHE A 575 4.006 9.781 11.192 1.00 0.00 C ATOM 963 CD2 PHE A 575 4.992 10.631 9.154 1.00 0.00 C ATOM 964 CE1 PHE A 575 3.735 11.089 11.609 1.00 0.00 C ATOM 965 CE2 PHE A 575 4.724 11.941 9.569 1.00 0.00 C ATOM 966 CZ PHE A 575 4.094 12.170 10.797 1.00 0.00 C ATOM 0 H PHE A 575 7.416 7.350 9.135 1.00 0.00 H new ATOM 0 HA PHE A 575 5.723 8.025 11.484 1.00 0.00 H new ATOM 0 HB2 PHE A 575 5.404 8.120 8.546 1.00 0.00 H new ATOM 0 HB3 PHE A 575 3.979 7.575 9.409 1.00 0.00 H new ATOM 0 HD1 PHE A 575 3.729 8.947 11.820 1.00 0.00 H new ATOM 0 HD2 PHE A 575 5.476 10.456 8.205 1.00 0.00 H new ATOM 0 HE1 PHE A 575 3.249 11.264 12.557 1.00 0.00 H new ATOM 0 HE2 PHE A 575 5.003 12.774 8.941 1.00 0.00 H new ATOM 0 HZ PHE A 575 3.885 13.180 11.118 1.00 0.00 H new ATOM 976 N GLU A 576 4.046 5.821 10.969 1.00 0.00 N ATOM 977 CA GLU A 576 3.558 4.420 11.207 1.00 0.00 C ATOM 978 C GLU A 576 3.209 3.774 9.873 1.00 0.00 C ATOM 979 O GLU A 576 3.299 4.400 8.846 1.00 0.00 O ATOM 980 CB GLU A 576 2.337 4.429 12.131 1.00 0.00 C ATOM 981 CG GLU A 576 2.768 4.037 13.545 1.00 0.00 C ATOM 982 CD GLU A 576 2.078 2.733 13.947 1.00 0.00 C ATOM 983 OE1 GLU A 576 2.543 1.686 13.527 1.00 0.00 O ATOM 984 OE2 GLU A 576 1.096 2.802 14.667 1.00 0.00 O ATOM 0 H GLU A 576 3.326 6.544 10.953 1.00 0.00 H new ATOM 0 HA GLU A 576 4.346 3.843 11.691 1.00 0.00 H new ATOM 0 HB2 GLU A 576 1.881 5.419 12.139 1.00 0.00 H new ATOM 0 HB3 GLU A 576 1.583 3.733 11.763 1.00 0.00 H new ATOM 0 HG2 GLU A 576 3.850 3.915 13.586 1.00 0.00 H new ATOM 0 HG3 GLU A 576 2.510 4.829 14.248 1.00 0.00 H new ATOM 991 N TYR A 577 2.836 2.521 9.878 1.00 0.00 N ATOM 992 CA TYR A 577 2.495 1.838 8.595 1.00 0.00 C ATOM 993 C TYR A 577 1.392 0.798 8.789 1.00 0.00 C ATOM 994 O TYR A 577 1.563 -0.194 9.471 1.00 0.00 O ATOM 995 CB TYR A 577 3.736 1.159 8.013 1.00 0.00 C ATOM 996 CG TYR A 577 4.368 2.089 7.013 1.00 0.00 C ATOM 997 CD1 TYR A 577 5.114 3.195 7.434 1.00 0.00 C ATOM 998 CD2 TYR A 577 4.172 1.854 5.649 1.00 0.00 C ATOM 999 CE1 TYR A 577 5.660 4.058 6.489 1.00 0.00 C ATOM 1000 CE2 TYR A 577 4.718 2.723 4.702 1.00 0.00 C ATOM 1001 CZ TYR A 577 5.462 3.826 5.122 1.00 0.00 C ATOM 1002 OH TYR A 577 6.005 4.687 4.190 1.00 0.00 O ATOM 0 H TYR A 577 2.753 1.942 10.714 1.00 0.00 H new ATOM 0 HA TYR A 577 2.132 2.599 7.904 1.00 0.00 H new ATOM 0 HB2 TYR A 577 4.444 0.920 8.807 1.00 0.00 H new ATOM 0 HB3 TYR A 577 3.463 0.218 7.535 1.00 0.00 H new ATOM 0 HD1 TYR A 577 5.265 3.378 8.488 1.00 0.00 H new ATOM 0 HD2 TYR A 577 3.597 0.998 5.327 1.00 0.00 H new ATOM 0 HE1 TYR A 577 6.239 4.911 6.811 1.00 0.00 H new ATOM 0 HE2 TYR A 577 4.565 2.542 3.648 1.00 0.00 H new ATOM 0 HH TYR A 577 6.734 4.237 3.714 1.00 0.00 H new ATOM 1012 N LYS A 578 0.269 1.014 8.157 1.00 0.00 N ATOM 1013 CA LYS A 578 -0.856 0.044 8.250 1.00 0.00 C ATOM 1014 C LYS A 578 -1.330 -0.263 6.830 1.00 0.00 C ATOM 1015 O LYS A 578 -1.603 0.632 6.051 1.00 0.00 O ATOM 1016 CB LYS A 578 -2.009 0.648 9.052 1.00 0.00 C ATOM 1017 CG LYS A 578 -2.774 -0.468 9.766 1.00 0.00 C ATOM 1018 CD LYS A 578 -2.357 -0.514 11.237 1.00 0.00 C ATOM 1019 CE LYS A 578 -1.107 -1.383 11.388 1.00 0.00 C ATOM 1020 NZ LYS A 578 -0.038 -0.601 12.070 1.00 0.00 N ATOM 0 H LYS A 578 0.083 1.831 7.575 1.00 0.00 H new ATOM 0 HA LYS A 578 -0.525 -0.865 8.752 1.00 0.00 H new ATOM 0 HB2 LYS A 578 -1.625 1.363 9.780 1.00 0.00 H new ATOM 0 HB3 LYS A 578 -2.679 1.196 8.390 1.00 0.00 H new ATOM 0 HG2 LYS A 578 -3.847 -0.296 9.687 1.00 0.00 H new ATOM 0 HG3 LYS A 578 -2.569 -1.426 9.289 1.00 0.00 H new ATOM 0 HD2 LYS A 578 -2.158 0.494 11.601 1.00 0.00 H new ATOM 0 HD3 LYS A 578 -3.168 -0.917 11.843 1.00 0.00 H new ATOM 0 HE2 LYS A 578 -1.341 -2.278 11.964 1.00 0.00 H new ATOM 0 HE3 LYS A 578 -0.761 -1.715 10.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 578 0.779 -0.503 11.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 578 -0.401 0.342 12.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 578 0.255 -1.096 12.937 1.00 0.00 H new ATOM 1034 N PHE A 579 -1.418 -1.511 6.475 1.00 0.00 N ATOM 1035 CA PHE A 579 -1.858 -1.848 5.095 1.00 0.00 C ATOM 1036 C PHE A 579 -3.343 -2.140 5.079 1.00 0.00 C ATOM 1037 O PHE A 579 -3.917 -2.617 6.032 1.00 0.00 O ATOM 1038 CB PHE A 579 -1.080 -3.062 4.586 1.00 0.00 C ATOM 1039 CG PHE A 579 -1.504 -3.361 3.171 1.00 0.00 C ATOM 1040 CD1 PHE A 579 -2.792 -3.837 2.921 1.00 0.00 C ATOM 1041 CD2 PHE A 579 -0.619 -3.156 2.108 1.00 0.00 C ATOM 1042 CE1 PHE A 579 -3.198 -4.109 1.629 1.00 0.00 C ATOM 1043 CE2 PHE A 579 -1.031 -3.431 0.802 1.00 0.00 C ATOM 1044 CZ PHE A 579 -2.325 -3.908 0.570 1.00 0.00 C ATOM 0 H PHE A 579 -1.206 -2.308 7.075 1.00 0.00 H new ATOM 0 HA PHE A 579 -1.661 -0.998 4.442 1.00 0.00 H new ATOM 0 HB2 PHE A 579 -0.009 -2.865 4.624 1.00 0.00 H new ATOM 0 HB3 PHE A 579 -1.268 -3.925 5.225 1.00 0.00 H new ATOM 0 HD1 PHE A 579 -3.475 -3.994 3.743 1.00 0.00 H new ATOM 0 HD2 PHE A 579 0.378 -2.787 2.296 1.00 0.00 H new ATOM 0 HE1 PHE A 579 -4.196 -4.478 1.443 1.00 0.00 H new ATOM 0 HE2 PHE A 579 -0.354 -3.276 -0.025 1.00 0.00 H new ATOM 0 HZ PHE A 579 -2.646 -4.121 -0.439 1.00 0.00 H new ATOM 1054 N ILE A 580 -3.958 -1.815 3.987 1.00 0.00 N ATOM 1055 CA ILE A 580 -5.406 -2.015 3.836 1.00 0.00 C ATOM 1056 C ILE A 580 -5.733 -2.786 2.530 1.00 0.00 C ATOM 1057 O ILE A 580 -5.670 -2.263 1.440 1.00 0.00 O ATOM 1058 CB ILE A 580 -6.030 -0.612 3.840 1.00 0.00 C ATOM 1059 CG1 ILE A 580 -5.697 0.053 2.497 1.00 0.00 C ATOM 1060 CG2 ILE A 580 -5.443 0.200 5.004 1.00 0.00 C ATOM 1061 CD1 ILE A 580 -5.361 1.535 2.613 1.00 0.00 C ATOM 0 H ILE A 580 -3.499 -1.408 3.172 1.00 0.00 H new ATOM 0 HA ILE A 580 -5.811 -2.623 4.645 1.00 0.00 H new ATOM 0 HB ILE A 580 -7.111 -0.664 3.969 1.00 0.00 H new ATOM 0 HG12 ILE A 580 -4.853 -0.467 2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 580 -6.545 -0.066 1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 580 -5.883 1.197 5.011 1.00 0.00 H new ATOM 0 HG22 ILE A 580 -5.666 -0.301 5.946 1.00 0.00 H new ATOM 0 HG23 ILE A 580 -4.363 0.281 4.883 1.00 0.00 H new ATOM 0 HD11 ILE A 580 -5.137 1.936 1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 580 -6.212 2.069 3.037 1.00 0.00 H new ATOM 0 HD13 ILE A 580 -4.494 1.662 3.261 1.00 0.00 H new ATOM 1073 N ARG A 581 -6.104 -4.041 2.628 1.00 0.00 N ATOM 1074 CA ARG A 581 -6.441 -4.801 1.380 1.00 0.00 C ATOM 1075 C ARG A 581 -7.857 -4.435 0.951 1.00 0.00 C ATOM 1076 O ARG A 581 -8.825 -4.863 1.534 1.00 0.00 O ATOM 1077 CB ARG A 581 -6.333 -6.312 1.625 1.00 0.00 C ATOM 1078 CG ARG A 581 -7.221 -7.070 0.625 1.00 0.00 C ATOM 1079 CD ARG A 581 -6.643 -8.461 0.364 1.00 0.00 C ATOM 1080 NE ARG A 581 -7.195 -8.998 -0.911 1.00 0.00 N ATOM 1081 CZ ARG A 581 -7.292 -10.287 -1.088 1.00 0.00 C ATOM 1082 NH1 ARG A 581 -6.276 -10.959 -1.556 1.00 0.00 N ATOM 1083 NH2 ARG A 581 -8.405 -10.904 -0.798 1.00 0.00 N ATOM 0 H ARG A 581 -6.187 -4.564 3.500 1.00 0.00 H new ATOM 0 HA ARG A 581 -5.737 -4.537 0.591 1.00 0.00 H new ATOM 0 HB2 ARG A 581 -5.297 -6.633 1.520 1.00 0.00 H new ATOM 0 HB3 ARG A 581 -6.637 -6.546 2.645 1.00 0.00 H new ATOM 0 HG2 ARG A 581 -8.234 -7.156 1.018 1.00 0.00 H new ATOM 0 HG3 ARG A 581 -7.288 -6.513 -0.310 1.00 0.00 H new ATOM 0 HD2 ARG A 581 -5.556 -8.410 0.309 1.00 0.00 H new ATOM 0 HD3 ARG A 581 -6.889 -9.129 1.189 1.00 0.00 H new ATOM 0 HE ARG A 581 -7.497 -8.358 -1.646 1.00 0.00 H new ATOM 0 HH11 ARG A 581 -5.407 -10.477 -1.783 1.00 0.00 H new ATOM 0 HH12 ARG A 581 -6.351 -11.967 -1.695 1.00 0.00 H new ATOM 0 HH21 ARG A 581 -9.199 -10.378 -0.433 1.00 0.00 H new ATOM 0 HH22 ARG A 581 -8.481 -11.912 -0.937 1.00 0.00 H new ATOM 1097 N ILE A 582 -7.982 -3.645 -0.065 1.00 0.00 N ATOM 1098 CA ILE A 582 -9.358 -3.254 -0.512 1.00 0.00 C ATOM 1099 C ILE A 582 -9.948 -4.346 -1.418 1.00 0.00 C ATOM 1100 O ILE A 582 -9.269 -4.915 -2.243 1.00 0.00 O ATOM 1101 CB ILE A 582 -9.344 -1.848 -1.170 1.00 0.00 C ATOM 1102 CG1 ILE A 582 -10.340 -0.988 -0.412 1.00 0.00 C ATOM 1103 CG2 ILE A 582 -9.788 -1.860 -2.642 1.00 0.00 C ATOM 1104 CD1 ILE A 582 -11.677 -1.733 -0.418 1.00 0.00 C ATOM 0 H ILE A 582 -7.212 -3.252 -0.606 1.00 0.00 H new ATOM 0 HA ILE A 582 -10.016 -3.174 0.354 1.00 0.00 H new ATOM 0 HB ILE A 582 -8.320 -1.475 -1.133 1.00 0.00 H new ATOM 0 HG12 ILE A 582 -10.000 -0.815 0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 582 -10.442 -0.011 -0.884 1.00 0.00 H new ATOM 0 HG21 ILE A 582 -9.755 -0.846 -3.040 1.00 0.00 H new ATOM 0 HG22 ILE A 582 -9.119 -2.498 -3.219 1.00 0.00 H new ATOM 0 HG23 ILE A 582 -10.806 -2.244 -2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 582 -12.423 -1.146 0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 582 -12.005 -1.883 -1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 582 -11.557 -2.700 0.070 1.00 0.00 H new ATOM 1116 N GLU A 583 -11.213 -4.659 -1.227 1.00 0.00 N ATOM 1117 CA GLU A 583 -11.869 -5.746 -2.024 1.00 0.00 C ATOM 1118 C GLU A 583 -12.614 -5.194 -3.247 1.00 0.00 C ATOM 1119 O GLU A 583 -12.753 -3.999 -3.423 1.00 0.00 O ATOM 1120 CB GLU A 583 -12.876 -6.468 -1.136 1.00 0.00 C ATOM 1121 CG GLU A 583 -12.990 -7.930 -1.572 1.00 0.00 C ATOM 1122 CD GLU A 583 -13.574 -8.760 -0.427 1.00 0.00 C ATOM 1123 OE1 GLU A 583 -14.196 -8.175 0.445 1.00 0.00 O ATOM 1124 OE2 GLU A 583 -13.391 -9.966 -0.442 1.00 0.00 O ATOM 0 H GLU A 583 -11.821 -4.203 -0.547 1.00 0.00 H new ATOM 0 HA GLU A 583 -11.087 -6.420 -2.374 1.00 0.00 H new ATOM 0 HB2 GLU A 583 -12.562 -6.412 -0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 583 -13.849 -5.981 -1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 583 -13.626 -8.009 -2.454 1.00 0.00 H new ATOM 0 HG3 GLU A 583 -12.009 -8.315 -1.851 1.00 0.00 H new ATOM 1131 N SER A 584 -13.095 -6.077 -4.094 1.00 0.00 N ATOM 1132 CA SER A 584 -13.835 -5.641 -5.319 1.00 0.00 C ATOM 1133 C SER A 584 -15.256 -5.237 -4.945 1.00 0.00 C ATOM 1134 O SER A 584 -15.936 -4.560 -5.690 1.00 0.00 O ATOM 1135 CB SER A 584 -13.872 -6.792 -6.327 1.00 0.00 C ATOM 1136 OG SER A 584 -14.550 -7.901 -5.750 1.00 0.00 O ATOM 0 H SER A 584 -13.005 -7.087 -3.986 1.00 0.00 H new ATOM 0 HA SER A 584 -13.327 -4.786 -5.765 1.00 0.00 H new ATOM 0 HB2 SER A 584 -14.379 -6.476 -7.239 1.00 0.00 H new ATOM 0 HB3 SER A 584 -12.858 -7.077 -6.608 1.00 0.00 H new ATOM 0 HG SER A 584 -14.577 -8.639 -6.394 1.00 0.00 H new ATOM 1142 N ASP A 585 -15.701 -5.621 -3.785 1.00 0.00 N ATOM 1143 CA ASP A 585 -17.054 -5.236 -3.349 1.00 0.00 C ATOM 1144 C ASP A 585 -16.941 -3.942 -2.550 1.00 0.00 C ATOM 1145 O ASP A 585 -17.801 -3.604 -1.761 1.00 0.00 O ATOM 1146 CB ASP A 585 -17.659 -6.339 -2.474 1.00 0.00 C ATOM 1147 CG ASP A 585 -16.580 -7.287 -1.942 1.00 0.00 C ATOM 1148 OD1 ASP A 585 -15.849 -6.881 -1.052 1.00 0.00 O ATOM 1149 OD2 ASP A 585 -16.504 -8.401 -2.432 1.00 0.00 O ATOM 0 H ASP A 585 -15.176 -6.189 -3.120 1.00 0.00 H new ATOM 0 HA ASP A 585 -17.701 -5.092 -4.214 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -18.194 -5.889 -1.638 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -18.389 -6.905 -3.053 1.00 0.00 H new ATOM 1154 N ASP A 586 -15.871 -3.217 -2.747 1.00 0.00 N ATOM 1155 CA ASP A 586 -15.687 -1.940 -1.992 1.00 0.00 C ATOM 1156 C ASP A 586 -15.731 -2.236 -0.489 1.00 0.00 C ATOM 1157 O ASP A 586 -16.760 -2.126 0.148 1.00 0.00 O ATOM 1158 CB ASP A 586 -16.809 -0.964 -2.354 1.00 0.00 C ATOM 1159 CG ASP A 586 -16.301 0.473 -2.217 1.00 0.00 C ATOM 1160 OD1 ASP A 586 -15.616 0.747 -1.245 1.00 0.00 O ATOM 1161 OD2 ASP A 586 -16.605 1.273 -3.085 1.00 0.00 O ATOM 0 H ASP A 586 -15.119 -3.452 -3.395 1.00 0.00 H new ATOM 0 HA ASP A 586 -14.726 -1.495 -2.252 1.00 0.00 H new ATOM 0 HB2 ASP A 586 -17.148 -1.145 -3.374 1.00 0.00 H new ATOM 0 HB3 ASP A 586 -17.667 -1.121 -1.700 1.00 0.00 H new ATOM 1166 N SER A 587 -14.622 -2.632 0.073 1.00 0.00 N ATOM 1167 CA SER A 587 -14.586 -2.964 1.527 1.00 0.00 C ATOM 1168 C SER A 587 -13.139 -3.178 1.941 1.00 0.00 C ATOM 1169 O SER A 587 -12.511 -4.119 1.494 1.00 0.00 O ATOM 1170 CB SER A 587 -15.323 -4.267 1.732 1.00 0.00 C ATOM 1171 OG SER A 587 -15.972 -4.260 2.996 1.00 0.00 O ATOM 0 H SER A 587 -13.733 -2.741 -0.415 1.00 0.00 H new ATOM 0 HA SER A 587 -15.038 -2.161 2.110 1.00 0.00 H new ATOM 0 HB2 SER A 587 -16.056 -4.410 0.938 1.00 0.00 H new ATOM 0 HB3 SER A 587 -14.625 -5.103 1.676 1.00 0.00 H new ATOM 0 HG SER A 587 -16.450 -5.106 3.123 1.00 0.00 H new ATOM 1177 N VAL A 588 -12.576 -2.330 2.756 1.00 0.00 N ATOM 1178 CA VAL A 588 -11.148 -2.545 3.104 1.00 0.00 C ATOM 1179 C VAL A 588 -11.003 -3.452 4.318 1.00 0.00 C ATOM 1180 O VAL A 588 -11.729 -3.359 5.288 1.00 0.00 O ATOM 1181 CB VAL A 588 -10.448 -1.238 3.453 1.00 0.00 C ATOM 1182 CG1 VAL A 588 -9.018 -1.304 2.931 1.00 0.00 C ATOM 1183 CG2 VAL A 588 -11.159 -0.042 2.850 1.00 0.00 C ATOM 0 H VAL A 588 -13.027 -1.522 3.184 1.00 0.00 H new ATOM 0 HA VAL A 588 -10.695 -2.998 2.222 1.00 0.00 H new ATOM 0 HB VAL A 588 -10.459 -1.112 4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 588 -8.500 -0.376 3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 588 -8.499 -2.141 3.398 1.00 0.00 H new ATOM 0 HG13 VAL A 588 -9.031 -1.442 1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 588 -10.629 0.871 3.122 1.00 0.00 H new ATOM 0 HG22 VAL A 588 -11.180 -0.140 1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 588 -12.180 0.004 3.230 1.00 0.00 H new ATOM 1193 N GLU A 589 -9.998 -4.267 4.285 1.00 0.00 N ATOM 1194 CA GLU A 589 -9.672 -5.141 5.433 1.00 0.00 C ATOM 1195 C GLU A 589 -8.358 -4.601 5.942 1.00 0.00 C ATOM 1196 O GLU A 589 -7.319 -5.182 5.710 1.00 0.00 O ATOM 1197 CB GLU A 589 -9.461 -6.581 4.977 1.00 0.00 C ATOM 1198 CG GLU A 589 -8.906 -6.568 3.563 1.00 0.00 C ATOM 1199 CD GLU A 589 -8.371 -7.959 3.217 1.00 0.00 C ATOM 1200 OE1 GLU A 589 -7.385 -8.358 3.813 1.00 0.00 O ATOM 1201 OE2 GLU A 589 -8.959 -8.604 2.364 1.00 0.00 O ATOM 0 H GLU A 589 -9.371 -4.367 3.487 1.00 0.00 H new ATOM 0 HA GLU A 589 -10.468 -5.146 6.178 1.00 0.00 H new ATOM 0 HB2 GLU A 589 -8.772 -7.093 5.649 1.00 0.00 H new ATOM 0 HB3 GLU A 589 -10.403 -7.129 5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 589 -9.685 -6.279 2.857 1.00 0.00 H new ATOM 0 HG3 GLU A 589 -8.110 -5.828 3.479 1.00 0.00 H new ATOM 1208 N TRP A 590 -8.393 -3.452 6.555 1.00 0.00 N ATOM 1209 CA TRP A 590 -7.141 -2.810 7.019 1.00 0.00 C ATOM 1210 C TRP A 590 -6.227 -3.817 7.691 1.00 0.00 C ATOM 1211 O TRP A 590 -6.281 -4.008 8.885 1.00 0.00 O ATOM 1212 CB TRP A 590 -7.466 -1.666 7.972 1.00 0.00 C ATOM 1213 CG TRP A 590 -7.652 -0.432 7.152 1.00 0.00 C ATOM 1214 CD1 TRP A 590 -8.215 -0.408 5.927 1.00 0.00 C ATOM 1215 CD2 TRP A 590 -7.276 0.941 7.455 1.00 0.00 C ATOM 1216 NE1 TRP A 590 -8.210 0.888 5.455 1.00 0.00 N ATOM 1217 CE2 TRP A 590 -7.658 1.768 6.371 1.00 0.00 C ATOM 1218 CE3 TRP A 590 -6.657 1.546 8.553 1.00 0.00 C ATOM 1219 CZ2 TRP A 590 -7.431 3.155 6.393 1.00 0.00 C ATOM 1220 CZ3 TRP A 590 -6.431 2.928 8.563 1.00 0.00 C ATOM 1221 CH2 TRP A 590 -6.813 3.728 7.504 1.00 0.00 C ATOM 0 H TRP A 590 -9.245 -2.928 6.755 1.00 0.00 H new ATOM 0 HA TRP A 590 -6.617 -2.411 6.150 1.00 0.00 H new ATOM 0 HB2 TRP A 590 -8.369 -1.887 8.541 1.00 0.00 H new ATOM 0 HB3 TRP A 590 -6.660 -1.528 8.693 1.00 0.00 H new ATOM 0 HD1 TRP A 590 -8.607 -1.266 5.400 1.00 0.00 H new ATOM 0 HE1 TRP A 590 -8.569 1.165 4.541 1.00 0.00 H new ATOM 0 HE3 TRP A 590 -6.352 0.945 9.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 590 -7.732 3.770 5.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 590 -5.947 3.378 9.417 1.00 0.00 H new ATOM 0 HH2 TRP A 590 -6.634 4.793 7.536 1.00 0.00 H new ATOM 1232 N GLU A 591 -5.369 -4.447 6.921 1.00 0.00 N ATOM 1233 CA GLU A 591 -4.419 -5.420 7.505 1.00 0.00 C ATOM 1234 C GLU A 591 -3.646 -4.665 8.567 1.00 0.00 C ATOM 1235 O GLU A 591 -2.679 -3.978 8.288 1.00 0.00 O ATOM 1236 CB GLU A 591 -3.465 -5.925 6.430 1.00 0.00 C ATOM 1237 CG GLU A 591 -2.277 -6.627 7.089 1.00 0.00 C ATOM 1238 CD GLU A 591 -1.794 -7.768 6.192 1.00 0.00 C ATOM 1239 OE1 GLU A 591 -2.617 -8.585 5.812 1.00 0.00 O ATOM 1240 OE2 GLU A 591 -0.610 -7.805 5.900 1.00 0.00 O ATOM 0 H GLU A 591 -5.294 -4.322 5.912 1.00 0.00 H new ATOM 0 HA GLU A 591 -4.937 -6.283 7.923 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -3.984 -6.614 5.763 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -3.116 -5.093 5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -1.468 -5.916 7.257 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -2.567 -7.016 8.065 1.00 0.00 H new ATOM 1247 N SER A 592 -4.103 -4.738 9.772 1.00 0.00 N ATOM 1248 CA SER A 592 -3.452 -3.983 10.851 1.00 0.00 C ATOM 1249 C SER A 592 -2.650 -4.947 11.724 1.00 0.00 C ATOM 1250 O SER A 592 -2.366 -4.680 12.875 1.00 0.00 O ATOM 1251 CB SER A 592 -4.555 -3.269 11.638 1.00 0.00 C ATOM 1252 OG SER A 592 -3.994 -2.606 12.767 1.00 0.00 O ATOM 0 H SER A 592 -4.909 -5.295 10.056 1.00 0.00 H new ATOM 0 HA SER A 592 -2.753 -3.240 10.467 1.00 0.00 H new ATOM 0 HB2 SER A 592 -5.062 -2.548 10.997 1.00 0.00 H new ATOM 0 HB3 SER A 592 -5.305 -3.989 11.964 1.00 0.00 H new ATOM 0 HG SER A 592 -3.315 -3.180 13.179 1.00 0.00 H new ATOM 1258 N ASP A 593 -2.260 -6.063 11.160 1.00 0.00 N ATOM 1259 CA ASP A 593 -1.447 -7.047 11.925 1.00 0.00 C ATOM 1260 C ASP A 593 0.037 -6.715 11.718 1.00 0.00 C ATOM 1261 O ASP A 593 0.700 -6.308 12.651 1.00 0.00 O ATOM 1262 CB ASP A 593 -1.752 -8.468 11.444 1.00 0.00 C ATOM 1263 CG ASP A 593 -2.611 -9.187 12.486 1.00 0.00 C ATOM 1264 OD1 ASP A 593 -3.764 -8.816 12.631 1.00 0.00 O ATOM 1265 OD2 ASP A 593 -2.101 -10.095 13.120 1.00 0.00 O ATOM 0 H ASP A 593 -2.472 -6.332 10.199 1.00 0.00 H new ATOM 0 HA ASP A 593 -1.691 -6.991 12.986 1.00 0.00 H new ATOM 0 HB2 ASP A 593 -2.274 -8.435 10.487 1.00 0.00 H new ATOM 0 HB3 ASP A 593 -0.824 -9.016 11.282 1.00 0.00 H new ATOM 1270 N PRO A 594 0.521 -6.859 10.499 1.00 0.00 N ATOM 1271 CA PRO A 594 1.925 -6.528 10.180 1.00 0.00 C ATOM 1272 C PRO A 594 2.087 -5.004 10.084 1.00 0.00 C ATOM 1273 O PRO A 594 1.661 -4.389 9.127 1.00 0.00 O ATOM 1274 CB PRO A 594 2.154 -7.184 8.816 1.00 0.00 C ATOM 1275 CG PRO A 594 0.757 -7.351 8.175 1.00 0.00 C ATOM 1276 CD PRO A 594 -0.258 -7.359 9.334 1.00 0.00 C ATOM 0 HA PRO A 594 2.634 -6.874 10.932 1.00 0.00 H new ATOM 0 HB2 PRO A 594 2.798 -6.566 8.190 1.00 0.00 H new ATOM 0 HB3 PRO A 594 2.649 -8.149 8.927 1.00 0.00 H new ATOM 0 HG2 PRO A 594 0.548 -6.536 7.482 1.00 0.00 H new ATOM 0 HG3 PRO A 594 0.701 -8.277 7.604 1.00 0.00 H new ATOM 0 HD2 PRO A 594 -1.113 -6.717 9.120 1.00 0.00 H new ATOM 0 HD3 PRO A 594 -0.649 -8.360 9.515 1.00 0.00 H new ATOM 1284 N ASN A 595 2.686 -4.388 11.069 1.00 0.00 N ATOM 1285 CA ASN A 595 2.854 -2.904 11.026 1.00 0.00 C ATOM 1286 C ASN A 595 4.329 -2.546 10.829 1.00 0.00 C ATOM 1287 O ASN A 595 5.207 -3.368 10.998 1.00 0.00 O ATOM 1288 CB ASN A 595 2.361 -2.300 12.343 1.00 0.00 C ATOM 1289 CG ASN A 595 3.235 -2.803 13.493 1.00 0.00 C ATOM 1290 OD1 ASN A 595 4.418 -2.526 13.540 1.00 0.00 O ATOM 1291 ND2 ASN A 595 2.699 -3.535 14.431 1.00 0.00 N ATOM 0 H ASN A 595 3.065 -4.845 11.898 1.00 0.00 H new ATOM 0 HA ASN A 595 2.275 -2.505 10.193 1.00 0.00 H new ATOM 0 HB2 ASN A 595 2.398 -1.212 12.293 1.00 0.00 H new ATOM 0 HB3 ASN A 595 1.321 -2.576 12.515 1.00 0.00 H new ATOM 0 HD21 ASN A 595 3.272 -3.875 15.203 1.00 0.00 H new ATOM 0 HD22 ASN A 595 1.707 -3.768 14.392 1.00 0.00 H new ATOM 1298 N ARG A 596 4.608 -1.318 10.472 1.00 0.00 N ATOM 1299 CA ARG A 596 6.027 -0.904 10.264 1.00 0.00 C ATOM 1300 C ARG A 596 6.140 0.624 10.345 1.00 0.00 C ATOM 1301 O ARG A 596 5.239 1.300 10.810 1.00 0.00 O ATOM 1302 CB ARG A 596 6.497 -1.380 8.889 1.00 0.00 C ATOM 1303 CG ARG A 596 7.367 -2.627 9.053 1.00 0.00 C ATOM 1304 CD ARG A 596 7.964 -3.016 7.700 1.00 0.00 C ATOM 1305 NE ARG A 596 7.376 -4.309 7.251 1.00 0.00 N ATOM 1306 CZ ARG A 596 7.687 -5.416 7.869 1.00 0.00 C ATOM 1307 NH1 ARG A 596 8.917 -5.850 7.851 1.00 0.00 N ATOM 1308 NH2 ARG A 596 6.767 -6.088 8.505 1.00 0.00 N ATOM 0 H ARG A 596 3.915 -0.586 10.316 1.00 0.00 H new ATOM 0 HA ARG A 596 6.651 -1.350 11.039 1.00 0.00 H new ATOM 0 HB2 ARG A 596 5.638 -1.603 8.256 1.00 0.00 H new ATOM 0 HB3 ARG A 596 7.062 -0.591 8.393 1.00 0.00 H new ATOM 0 HG2 ARG A 596 8.164 -2.435 9.772 1.00 0.00 H new ATOM 0 HG3 ARG A 596 6.771 -3.449 9.449 1.00 0.00 H new ATOM 0 HD2 ARG A 596 7.762 -2.238 6.964 1.00 0.00 H new ATOM 0 HD3 ARG A 596 9.047 -3.105 7.781 1.00 0.00 H new ATOM 0 HE ARG A 596 6.731 -4.329 6.461 1.00 0.00 H new ATOM 0 HH11 ARG A 596 9.636 -5.324 7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 596 9.160 -6.715 8.334 1.00 0.00 H new ATOM 0 HH21 ARG A 596 5.805 -5.748 8.519 1.00 0.00 H new ATOM 0 HH22 ARG A 596 7.009 -6.953 8.988 1.00 0.00 H new ATOM 1322 N GLU A 597 7.239 1.174 9.894 1.00 0.00 N ATOM 1323 CA GLU A 597 7.411 2.657 9.943 1.00 0.00 C ATOM 1324 C GLU A 597 8.241 3.122 8.739 1.00 0.00 C ATOM 1325 O GLU A 597 8.999 2.365 8.167 1.00 0.00 O ATOM 1326 CB GLU A 597 8.130 3.044 11.237 1.00 0.00 C ATOM 1327 CG GLU A 597 9.214 2.011 11.551 1.00 0.00 C ATOM 1328 CD GLU A 597 9.759 2.257 12.960 1.00 0.00 C ATOM 1329 OE1 GLU A 597 8.966 2.562 13.835 1.00 0.00 O ATOM 1330 OE2 GLU A 597 10.960 2.137 13.139 1.00 0.00 O ATOM 0 H GLU A 597 8.024 0.660 9.494 1.00 0.00 H new ATOM 0 HA GLU A 597 6.432 3.135 9.912 1.00 0.00 H new ATOM 0 HB2 GLU A 597 8.575 4.034 11.135 1.00 0.00 H new ATOM 0 HB3 GLU A 597 7.416 3.098 12.059 1.00 0.00 H new ATOM 0 HG2 GLU A 597 8.804 1.004 11.479 1.00 0.00 H new ATOM 0 HG3 GLU A 597 10.020 2.080 10.820 1.00 0.00 H new ATOM 1337 N TYR A 598 8.106 4.368 8.357 1.00 0.00 N ATOM 1338 CA TYR A 598 8.858 4.905 7.222 1.00 0.00 C ATOM 1339 C TYR A 598 8.431 6.354 7.016 1.00 0.00 C ATOM 1340 O TYR A 598 7.423 6.642 6.433 1.00 0.00 O ATOM 1341 CB TYR A 598 8.541 4.115 5.948 1.00 0.00 C ATOM 1342 CG TYR A 598 9.628 4.298 4.914 1.00 0.00 C ATOM 1343 CD1 TYR A 598 10.483 5.414 4.962 1.00 0.00 C ATOM 1344 CD2 TYR A 598 9.760 3.356 3.880 1.00 0.00 C ATOM 1345 CE1 TYR A 598 11.468 5.573 3.974 1.00 0.00 C ATOM 1346 CE2 TYR A 598 10.744 3.519 2.907 1.00 0.00 C ATOM 1347 CZ TYR A 598 11.600 4.625 2.953 1.00 0.00 C ATOM 1348 OH TYR A 598 12.568 4.788 1.985 1.00 0.00 O ATOM 0 H TYR A 598 7.485 5.039 8.808 1.00 0.00 H new ATOM 0 HA TYR A 598 9.926 4.832 7.426 1.00 0.00 H new ATOM 0 HB2 TYR A 598 8.437 3.057 6.188 1.00 0.00 H new ATOM 0 HB3 TYR A 598 7.586 4.445 5.539 1.00 0.00 H new ATOM 0 HD1 TYR A 598 10.383 6.143 5.753 1.00 0.00 H new ATOM 0 HD2 TYR A 598 9.098 2.504 3.839 1.00 0.00 H new ATOM 0 HE1 TYR A 598 12.126 6.429 4.002 1.00 0.00 H new ATOM 0 HE2 TYR A 598 10.846 2.791 2.116 1.00 0.00 H new ATOM 0 HH TYR A 598 13.333 5.269 2.365 1.00 0.00 H new ATOM 1358 N THR A 599 9.203 7.265 7.469 1.00 0.00 N ATOM 1359 CA THR A 599 8.888 8.696 7.220 1.00 0.00 C ATOM 1360 C THR A 599 10.137 9.260 6.522 1.00 0.00 C ATOM 1361 O THR A 599 10.160 10.344 5.980 1.00 0.00 O ATOM 1362 CB THR A 599 8.489 9.416 8.516 1.00 0.00 C ATOM 1363 OG1 THR A 599 7.102 9.321 8.684 1.00 0.00 O ATOM 1364 CG2 THR A 599 8.859 10.882 8.522 1.00 0.00 C ATOM 0 H THR A 599 10.052 7.094 8.009 1.00 0.00 H new ATOM 0 HA THR A 599 8.015 8.841 6.583 1.00 0.00 H new ATOM 0 HB THR A 599 9.035 8.930 9.325 1.00 0.00 H new ATOM 0 HG1 THR A 599 6.828 9.861 9.454 1.00 0.00 H new ATOM 0 HG21 THR A 599 8.549 11.332 9.466 1.00 0.00 H new ATOM 0 HG22 THR A 599 9.938 10.985 8.407 1.00 0.00 H new ATOM 0 HG23 THR A 599 8.357 11.387 7.697 1.00 0.00 H new ATOM 1372 N VAL A 600 11.153 8.432 6.434 1.00 0.00 N ATOM 1373 CA VAL A 600 12.376 8.765 5.706 1.00 0.00 C ATOM 1374 C VAL A 600 13.101 9.926 6.398 1.00 0.00 C ATOM 1375 O VAL A 600 12.517 10.965 6.617 1.00 0.00 O ATOM 1376 CB VAL A 600 12.004 9.152 4.281 1.00 0.00 C ATOM 1377 CG1 VAL A 600 13.043 8.564 3.366 1.00 0.00 C ATOM 1378 CG2 VAL A 600 10.629 8.600 3.889 1.00 0.00 C ATOM 0 H VAL A 600 11.164 7.506 6.862 1.00 0.00 H new ATOM 0 HA VAL A 600 13.044 7.904 5.691 1.00 0.00 H new ATOM 0 HB VAL A 600 11.963 10.238 4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 600 12.807 8.822 2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 600 14.024 8.963 3.625 1.00 0.00 H new ATOM 0 HG13 VAL A 600 13.052 7.480 3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 600 10.396 8.896 2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 600 10.640 7.512 3.959 1.00 0.00 H new ATOM 0 HG23 VAL A 600 9.871 8.999 4.563 1.00 0.00 H new ATOM 1388 N PRO A 601 14.354 9.715 6.724 1.00 0.00 N ATOM 1389 CA PRO A 601 15.181 10.734 7.392 1.00 0.00 C ATOM 1390 C PRO A 601 15.687 11.762 6.375 1.00 0.00 C ATOM 1391 O PRO A 601 15.250 11.795 5.242 1.00 0.00 O ATOM 1392 CB PRO A 601 16.345 9.928 7.973 1.00 0.00 C ATOM 1393 CG PRO A 601 16.431 8.625 7.143 1.00 0.00 C ATOM 1394 CD PRO A 601 15.061 8.444 6.462 1.00 0.00 C ATOM 0 HA PRO A 601 14.637 11.297 8.150 1.00 0.00 H new ATOM 0 HB2 PRO A 601 17.276 10.491 7.910 1.00 0.00 H new ATOM 0 HB3 PRO A 601 16.176 9.707 9.027 1.00 0.00 H new ATOM 0 HG2 PRO A 601 17.227 8.690 6.401 1.00 0.00 H new ATOM 0 HG3 PRO A 601 16.661 7.773 7.783 1.00 0.00 H new ATOM 0 HD2 PRO A 601 15.169 8.262 5.393 1.00 0.00 H new ATOM 0 HD3 PRO A 601 14.519 7.594 6.877 1.00 0.00 H new ATOM 1402 N GLN A 602 16.606 12.598 6.773 1.00 0.00 N ATOM 1403 CA GLN A 602 17.141 13.621 5.830 1.00 0.00 C ATOM 1404 C GLN A 602 18.142 12.961 4.878 1.00 0.00 C ATOM 1405 O GLN A 602 17.808 12.591 3.770 1.00 0.00 O ATOM 1406 CB GLN A 602 17.843 14.727 6.621 1.00 0.00 C ATOM 1407 CG GLN A 602 16.828 15.808 7.000 1.00 0.00 C ATOM 1408 CD GLN A 602 17.537 16.926 7.766 1.00 0.00 C ATOM 1409 OE1 GLN A 602 18.701 16.811 8.093 1.00 0.00 O ATOM 1410 NE2 GLN A 602 16.879 18.012 8.069 1.00 0.00 N ATOM 0 H GLN A 602 17.010 12.617 7.710 1.00 0.00 H new ATOM 0 HA GLN A 602 16.320 14.051 5.255 1.00 0.00 H new ATOM 0 HB2 GLN A 602 18.300 14.312 7.519 1.00 0.00 H new ATOM 0 HB3 GLN A 602 18.646 15.161 6.025 1.00 0.00 H new ATOM 0 HG2 GLN A 602 16.356 16.209 6.103 1.00 0.00 H new ATOM 0 HG3 GLN A 602 16.035 15.379 7.613 1.00 0.00 H new ATOM 0 HE21 GLN A 602 15.901 18.109 7.795 1.00 0.00 H new ATOM 0 HE22 GLN A 602 17.342 18.763 8.580 1.00 0.00 H new ATOM 1419 N ALA A 603 19.367 12.811 5.302 1.00 0.00 N ATOM 1420 CA ALA A 603 20.388 12.174 4.422 1.00 0.00 C ATOM 1421 C ALA A 603 20.549 12.999 3.142 1.00 0.00 C ATOM 1422 O ALA A 603 19.814 13.935 2.899 1.00 0.00 O ATOM 1423 CB ALA A 603 19.937 10.757 4.060 1.00 0.00 C ATOM 0 H ALA A 603 19.705 13.102 6.219 1.00 0.00 H new ATOM 0 HA ALA A 603 21.342 12.130 4.948 1.00 0.00 H new ATOM 0 HB1 ALA A 603 20.683 10.291 3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 603 19.823 10.168 4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 603 18.983 10.802 3.535 1.00 0.00 H new ATOM 1429 N CYS A 604 21.506 12.658 2.322 1.00 0.00 N ATOM 1430 CA CYS A 604 21.714 13.420 1.058 1.00 0.00 C ATOM 1431 C CYS A 604 22.190 12.467 -0.040 1.00 0.00 C ATOM 1432 O CYS A 604 23.349 12.453 -0.403 1.00 0.00 O ATOM 1433 CB CYS A 604 22.769 14.506 1.283 1.00 0.00 C ATOM 1434 SG CYS A 604 23.173 15.291 -0.297 1.00 0.00 S ATOM 0 H CYS A 604 22.153 11.884 2.473 1.00 0.00 H new ATOM 0 HA CYS A 604 20.775 13.883 0.755 1.00 0.00 H new ATOM 0 HB2 CYS A 604 22.396 15.250 1.986 1.00 0.00 H new ATOM 0 HB3 CYS A 604 23.665 14.071 1.725 1.00 0.00 H new ATOM 0 HG CYS A 604 23.468 14.377 -1.173 1.00 0.00 H new ATOM 1439 N GLY A 605 21.304 11.668 -0.571 1.00 0.00 N ATOM 1440 CA GLY A 605 21.709 10.716 -1.644 1.00 0.00 C ATOM 1441 C GLY A 605 20.476 10.294 -2.446 1.00 0.00 C ATOM 1442 O GLY A 605 19.976 11.036 -3.269 1.00 0.00 O ATOM 0 H GLY A 605 20.319 11.634 -0.308 1.00 0.00 H new ATOM 0 HA2 GLY A 605 22.441 11.184 -2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 605 22.188 9.840 -1.206 1.00 0.00 H new ATOM 1446 N THR A 606 19.983 9.108 -2.214 1.00 0.00 N ATOM 1447 CA THR A 606 18.783 8.641 -2.965 1.00 0.00 C ATOM 1448 C THR A 606 17.516 9.066 -2.218 1.00 0.00 C ATOM 1449 O THR A 606 17.555 9.399 -1.050 1.00 0.00 O ATOM 1450 CB THR A 606 18.818 7.115 -3.083 1.00 0.00 C ATOM 1451 OG1 THR A 606 19.584 6.577 -2.015 1.00 0.00 O ATOM 1452 CG2 THR A 606 19.453 6.720 -4.418 1.00 0.00 C ATOM 0 H THR A 606 20.359 8.443 -1.538 1.00 0.00 H new ATOM 0 HA THR A 606 18.783 9.083 -3.961 1.00 0.00 H new ATOM 0 HB THR A 606 17.802 6.723 -3.036 1.00 0.00 H new ATOM 0 HG1 THR A 606 19.606 5.600 -2.088 1.00 0.00 H new ATOM 0 HG21 THR A 606 19.478 5.634 -4.502 1.00 0.00 H new ATOM 0 HG22 THR A 606 18.865 7.134 -5.237 1.00 0.00 H new ATOM 0 HG23 THR A 606 20.469 7.111 -4.467 1.00 0.00 H new ATOM 1460 N SER A 607 16.393 9.058 -2.883 1.00 0.00 N ATOM 1461 CA SER A 607 15.128 9.464 -2.209 1.00 0.00 C ATOM 1462 C SER A 607 14.040 8.425 -2.490 1.00 0.00 C ATOM 1463 O SER A 607 12.901 8.759 -2.721 1.00 0.00 O ATOM 1464 CB SER A 607 14.680 10.825 -2.743 1.00 0.00 C ATOM 1465 OG SER A 607 14.496 10.740 -4.150 1.00 0.00 O ATOM 0 H SER A 607 16.297 8.788 -3.862 1.00 0.00 H new ATOM 0 HA SER A 607 15.297 9.531 -1.134 1.00 0.00 H new ATOM 0 HB2 SER A 607 13.751 11.130 -2.261 1.00 0.00 H new ATOM 0 HB3 SER A 607 15.426 11.584 -2.507 1.00 0.00 H new ATOM 0 HG SER A 607 14.207 11.610 -4.495 1.00 0.00 H new ATOM 1471 N THR A 608 14.387 7.168 -2.468 1.00 0.00 N ATOM 1472 CA THR A 608 13.378 6.098 -2.732 1.00 0.00 C ATOM 1473 C THR A 608 13.877 4.796 -2.121 1.00 0.00 C ATOM 1474 O THR A 608 15.059 4.515 -2.112 1.00 0.00 O ATOM 1475 CB THR A 608 13.206 5.911 -4.243 1.00 0.00 C ATOM 1476 OG1 THR A 608 14.452 5.540 -4.815 1.00 0.00 O ATOM 1477 CG2 THR A 608 12.720 7.216 -4.875 1.00 0.00 C ATOM 0 H THR A 608 15.331 6.832 -2.278 1.00 0.00 H new ATOM 0 HA THR A 608 12.420 6.379 -2.293 1.00 0.00 H new ATOM 0 HB THR A 608 12.470 5.129 -4.429 1.00 0.00 H new ATOM 0 HG1 THR A 608 14.345 5.418 -5.781 1.00 0.00 H new ATOM 0 HG21 THR A 608 12.599 7.077 -5.949 1.00 0.00 H new ATOM 0 HG22 THR A 608 11.763 7.499 -4.436 1.00 0.00 H new ATOM 0 HG23 THR A 608 13.451 8.004 -4.691 1.00 0.00 H new ATOM 1485 N ALA A 609 12.991 4.001 -1.602 1.00 0.00 N ATOM 1486 CA ALA A 609 13.435 2.717 -0.985 1.00 0.00 C ATOM 1487 C ALA A 609 12.482 1.588 -1.377 1.00 0.00 C ATOM 1488 O ALA A 609 11.800 1.658 -2.377 1.00 0.00 O ATOM 1489 CB ALA A 609 13.454 2.864 0.538 1.00 0.00 C ATOM 0 H ALA A 609 11.987 4.178 -1.576 1.00 0.00 H new ATOM 0 HA ALA A 609 14.436 2.477 -1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 609 13.778 1.927 0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 609 14.144 3.660 0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 609 12.453 3.111 0.892 1.00 0.00 H new ATOM 1495 N THR A 610 12.433 0.546 -0.592 1.00 0.00 N ATOM 1496 CA THR A 610 11.525 -0.591 -0.907 1.00 0.00 C ATOM 1497 C THR A 610 10.534 -0.760 0.222 1.00 0.00 C ATOM 1498 O THR A 610 10.691 -0.219 1.299 1.00 0.00 O ATOM 1499 CB THR A 610 12.336 -1.876 -1.090 1.00 0.00 C ATOM 1500 OG1 THR A 610 12.955 -2.222 0.141 1.00 0.00 O ATOM 1501 CG2 THR A 610 13.408 -1.658 -2.159 1.00 0.00 C ATOM 0 H THR A 610 12.986 0.434 0.258 1.00 0.00 H new ATOM 0 HA THR A 610 10.990 -0.384 -1.834 1.00 0.00 H new ATOM 0 HB THR A 610 11.673 -2.683 -1.404 1.00 0.00 H new ATOM 0 HG1 THR A 610 13.473 -3.046 0.026 1.00 0.00 H new ATOM 0 HG21 THR A 610 13.985 -2.574 -2.288 1.00 0.00 H new ATOM 0 HG22 THR A 610 12.932 -1.393 -3.103 1.00 0.00 H new ATOM 0 HG23 THR A 610 14.073 -0.852 -1.849 1.00 0.00 H new ATOM 1509 N VAL A 611 9.486 -1.473 -0.037 1.00 0.00 N ATOM 1510 CA VAL A 611 8.439 -1.647 0.989 1.00 0.00 C ATOM 1511 C VAL A 611 7.631 -2.898 0.592 1.00 0.00 C ATOM 1512 O VAL A 611 6.514 -2.805 0.117 1.00 0.00 O ATOM 1513 CB VAL A 611 7.527 -0.411 0.941 1.00 0.00 C ATOM 1514 CG1 VAL A 611 7.047 -0.023 2.333 1.00 0.00 C ATOM 1515 CG2 VAL A 611 8.245 0.798 0.376 1.00 0.00 C ATOM 0 H VAL A 611 9.309 -1.946 -0.923 1.00 0.00 H new ATOM 0 HA VAL A 611 8.855 -1.759 1.990 1.00 0.00 H new ATOM 0 HB VAL A 611 6.688 -0.688 0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 611 6.404 0.855 2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 611 6.487 -0.850 2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 611 7.906 0.205 2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 611 7.565 1.650 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 611 9.107 1.034 1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 611 8.580 0.581 -0.638 1.00 0.00 H new ATOM 1525 N THR A 612 8.206 -4.065 0.726 1.00 0.00 N ATOM 1526 CA THR A 612 7.484 -5.304 0.296 1.00 0.00 C ATOM 1527 C THR A 612 6.843 -6.073 1.434 1.00 0.00 C ATOM 1528 O THR A 612 7.318 -6.103 2.552 1.00 0.00 O ATOM 1529 CB THR A 612 8.447 -6.250 -0.405 1.00 0.00 C ATOM 1530 OG1 THR A 612 9.780 -5.984 0.008 1.00 0.00 O ATOM 1531 CG2 THR A 612 8.288 -6.109 -1.904 1.00 0.00 C ATOM 0 H THR A 612 9.138 -4.216 1.112 1.00 0.00 H new ATOM 0 HA THR A 612 6.690 -4.958 -0.366 1.00 0.00 H new ATOM 0 HB THR A 612 8.218 -7.280 -0.133 1.00 0.00 H new ATOM 0 HG1 THR A 612 10.392 -6.599 -0.447 1.00 0.00 H new ATOM 0 HG21 THR A 612 8.977 -6.786 -2.408 1.00 0.00 H new ATOM 0 HG22 THR A 612 7.265 -6.356 -2.186 1.00 0.00 H new ATOM 0 HG23 THR A 612 8.507 -5.083 -2.198 1.00 0.00 H new ATOM 1539 N ASP A 613 5.775 -6.749 1.108 1.00 0.00 N ATOM 1540 CA ASP A 613 5.083 -7.594 2.100 1.00 0.00 C ATOM 1541 C ASP A 613 4.161 -8.577 1.362 1.00 0.00 C ATOM 1542 O ASP A 613 4.273 -8.773 0.167 1.00 0.00 O ATOM 1543 CB ASP A 613 4.270 -6.722 3.058 1.00 0.00 C ATOM 1544 CG ASP A 613 5.045 -6.538 4.364 1.00 0.00 C ATOM 1545 OD1 ASP A 613 6.033 -7.232 4.547 1.00 0.00 O ATOM 1546 OD2 ASP A 613 4.639 -5.708 5.160 1.00 0.00 O ATOM 0 H ASP A 613 5.353 -6.746 0.180 1.00 0.00 H new ATOM 0 HA ASP A 613 5.817 -8.151 2.683 1.00 0.00 H new ATOM 0 HB2 ASP A 613 4.069 -5.752 2.602 1.00 0.00 H new ATOM 0 HB3 ASP A 613 3.304 -7.186 3.258 1.00 0.00 H new ATOM 1551 N THR A 614 3.247 -9.200 2.053 1.00 0.00 N ATOM 1552 CA THR A 614 2.328 -10.145 1.356 1.00 0.00 C ATOM 1553 C THR A 614 1.112 -10.429 2.215 1.00 0.00 C ATOM 1554 O THR A 614 1.052 -10.093 3.381 1.00 0.00 O ATOM 1555 CB THR A 614 3.055 -11.436 0.985 1.00 0.00 C ATOM 1556 OG1 THR A 614 2.197 -12.546 1.210 1.00 0.00 O ATOM 1557 CG2 THR A 614 4.324 -11.588 1.822 1.00 0.00 C ATOM 0 H THR A 614 3.097 -9.099 3.057 1.00 0.00 H new ATOM 0 HA THR A 614 1.989 -9.679 0.431 1.00 0.00 H new ATOM 0 HB THR A 614 3.332 -11.397 -0.069 1.00 0.00 H new ATOM 0 HG1 THR A 614 2.663 -13.374 0.970 1.00 0.00 H new ATOM 0 HG21 THR A 614 4.832 -12.512 1.547 1.00 0.00 H new ATOM 0 HG22 THR A 614 4.985 -10.741 1.637 1.00 0.00 H new ATOM 0 HG23 THR A 614 4.061 -11.619 2.879 1.00 0.00 H new ATOM 1565 N TRP A 615 0.121 -11.004 1.609 1.00 0.00 N ATOM 1566 CA TRP A 615 -1.147 -11.277 2.317 1.00 0.00 C ATOM 1567 C TRP A 615 -1.178 -12.689 2.887 1.00 0.00 C ATOM 1568 O TRP A 615 -0.657 -13.624 2.312 1.00 0.00 O ATOM 1569 CB TRP A 615 -2.303 -11.073 1.333 1.00 0.00 C ATOM 1570 CG TRP A 615 -3.104 -9.934 1.822 1.00 0.00 C ATOM 1571 CD1 TRP A 615 -4.426 -9.825 1.728 1.00 0.00 C ATOM 1572 CD2 TRP A 615 -2.635 -8.743 2.470 1.00 0.00 C ATOM 1573 NE1 TRP A 615 -4.827 -8.667 2.376 1.00 0.00 N ATOM 1574 CE2 TRP A 615 -3.743 -7.956 2.836 1.00 0.00 C ATOM 1575 CE3 TRP A 615 -1.361 -8.296 2.790 1.00 0.00 C ATOM 1576 CZ2 TRP A 615 -3.580 -6.755 3.513 1.00 0.00 C ATOM 1577 CZ3 TRP A 615 -1.179 -7.096 3.453 1.00 0.00 C ATOM 1578 CH2 TRP A 615 -2.275 -6.329 3.822 1.00 0.00 C ATOM 0 H TRP A 615 0.138 -11.302 0.634 1.00 0.00 H new ATOM 0 HA TRP A 615 -1.241 -10.591 3.159 1.00 0.00 H new ATOM 0 HB2 TRP A 615 -1.923 -10.873 0.331 1.00 0.00 H new ATOM 0 HB3 TRP A 615 -2.915 -11.973 1.268 1.00 0.00 H new ATOM 0 HD1 TRP A 615 -5.080 -10.524 1.229 1.00 0.00 H new ATOM 0 HE1 TRP A 615 -5.798 -8.380 2.496 1.00 0.00 H new ATOM 0 HE3 TRP A 615 -0.502 -8.892 2.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 615 -4.436 -6.161 3.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 615 -0.181 -6.755 3.684 1.00 0.00 H new ATOM 0 HH2 TRP A 615 -2.125 -5.399 4.350 1.00 0.00 H new ATOM 1589 N ARG A 616 -1.795 -12.840 4.029 1.00 0.00 N ATOM 1590 CA ARG A 616 -1.876 -14.186 4.663 1.00 0.00 C ATOM 1591 C ARG A 616 -3.342 -14.546 4.910 1.00 0.00 C ATOM 1592 O ARG A 616 -3.796 -15.523 4.337 1.00 0.00 O ATOM 1593 CB ARG A 616 -1.123 -14.168 5.995 1.00 0.00 C ATOM 1594 CG ARG A 616 -0.527 -15.552 6.263 1.00 0.00 C ATOM 1595 CD ARG A 616 0.415 -15.932 5.120 1.00 0.00 C ATOM 1596 NE ARG A 616 1.387 -16.956 5.597 1.00 0.00 N ATOM 1597 CZ ARG A 616 1.002 -18.191 5.784 1.00 0.00 C ATOM 1598 NH1 ARG A 616 -0.233 -18.537 5.539 1.00 0.00 N ATOM 1599 NH2 ARG A 616 1.854 -19.080 6.216 1.00 0.00 N ATOM 1600 OXT ARG A 616 -3.986 -13.839 5.667 1.00 0.00 O ATOM 0 H ARG A 616 -2.246 -12.088 4.550 1.00 0.00 H new ATOM 0 HA ARG A 616 -1.427 -14.927 4.002 1.00 0.00 H new ATOM 0 HB2 ARG A 616 -0.332 -13.419 5.968 1.00 0.00 H new ATOM 0 HB3 ARG A 616 -1.799 -13.889 6.803 1.00 0.00 H new ATOM 0 HG2 ARG A 616 0.014 -15.549 7.209 1.00 0.00 H new ATOM 0 HG3 ARG A 616 -1.323 -16.291 6.353 1.00 0.00 H new ATOM 0 HD2 ARG A 616 -0.157 -16.322 4.278 1.00 0.00 H new ATOM 0 HD3 ARG A 616 0.946 -15.049 4.763 1.00 0.00 H new ATOM 0 HE ARG A 616 2.356 -16.692 5.778 1.00 0.00 H new ATOM 0 HH11 ARG A 616 -0.900 -17.843 5.201 1.00 0.00 H new ATOM 0 HH12 ARG A 616 -0.531 -19.501 5.686 1.00 0.00 H new ATOM 0 HH21 ARG A 616 2.819 -18.811 6.407 1.00 0.00 H new ATOM 0 HH22 ARG A 616 1.555 -20.044 6.362 1.00 0.00 H new