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 Single : A 513 THR OG1 : rot -35:sc= 0.272 USER MOD Single : A 518 THR OG1 : rot 3:sc= 0.631 USER MOD Single : A 522 THR OG1 : rot -173:sc= -2.47! USER MOD Single : A 524 THR OG1 : rot 180:sc= 0 USER MOD Single : A 525 THR OG1 : rot 64:sc= 0.355! USER MOD Single : A 530 ASN : amide:sc= -14.8! C(o=-15!,f=-9!) USER MOD Single : A 532 TYR OH : rot 180:sc= -0.028 USER MOD Single : A 536 SER OG : rot 180:sc= 0.196 USER MOD Single : A 538 SER OG : rot 180:sc= 0 USER MOD Single : A 539 GLN : amide:sc= -5.1! C(o=-5.1!,f=-2.9!) 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= -6.23! USER MOD Single : A 555 LYS NZ :NH3+ 157:sc= -1.05 (180deg=-2.19!) USER MOD Single : A 564 TYR OH : rot 120:sc= -0.203 USER MOD Single : A 566 THR OG1 : rot 2:sc= -0.0202! USER MOD Single : A 568 THR OG1 : rot 180:sc= 0.00399 USER MOD Single : A 574 SER OG : rot 180:sc= 0.075 USER MOD Single : A 577 TYR OH : rot 180:sc= 0 USER MOD Single : A 578 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0409) USER MOD Single : A 584 SER OG : rot 75:sc= -2.03! USER MOD Single : A 587 SER OG : rot 180:sc= -0.0758 USER MOD Single : A 592 SER OG : rot -64:sc= -1.98 USER MOD Single : A 595 ASN : amide:sc= -0.949 K(o=-0.95,f=-5!) USER MOD Single : A 598 TYR OH : rot 30:sc= -4.79! USER MOD Single : A 599 THR OG1 : rot 180:sc= 0.0786 USER MOD Single : A 602 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 604 CYS SG : rot 19:sc= 0.93 USER MOD Single : A 606 THR OG1 : rot -54:sc= 1.02 USER MOD Single : A 607 SER OG : rot 180:sc= 0.00496 USER MOD Single : A 608 THR OG1 : rot -6:sc= 0.719! USER MOD Single : A 610 THR OG1 : rot 180:sc= 0.0125 USER MOD Single : A 612 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 614 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 55 N THR A 513 7.884 16.281 8.844 1.00 0.00 N ATOM 56 CA THR A 513 6.681 15.662 9.468 1.00 0.00 C ATOM 57 C THR A 513 5.962 14.791 8.436 1.00 0.00 C ATOM 58 O THR A 513 5.529 13.695 8.731 1.00 0.00 O ATOM 59 CB THR A 513 5.736 16.762 9.956 1.00 0.00 C ATOM 60 OG1 THR A 513 5.505 17.686 8.901 1.00 0.00 O ATOM 61 CG2 THR A 513 6.365 17.489 11.145 1.00 0.00 C ATOM 0 HA THR A 513 6.987 15.045 10.313 1.00 0.00 H new ATOM 0 HB THR A 513 4.790 16.318 10.266 1.00 0.00 H new ATOM 0 HG1 THR A 513 6.322 17.786 8.369 1.00 0.00 H new ATOM 0 HG21 THR A 513 5.690 18.272 11.491 1.00 0.00 H new ATOM 0 HG22 THR A 513 6.542 16.779 11.953 1.00 0.00 H new ATOM 0 HG23 THR A 513 7.312 17.935 10.840 1.00 0.00 H new ATOM 69 N ALA A 514 5.834 15.270 7.227 1.00 0.00 N ATOM 70 CA ALA A 514 5.142 14.472 6.173 1.00 0.00 C ATOM 71 C ALA A 514 6.098 13.411 5.629 1.00 0.00 C ATOM 72 O ALA A 514 7.154 13.723 5.116 1.00 0.00 O ATOM 73 CB ALA A 514 4.712 15.400 5.035 1.00 0.00 C ATOM 0 H ALA A 514 6.179 16.181 6.924 1.00 0.00 H new ATOM 0 HA ALA A 514 4.264 13.987 6.600 1.00 0.00 H new ATOM 0 HB1 ALA A 514 4.206 14.819 4.264 1.00 0.00 H new ATOM 0 HB2 ALA A 514 4.032 16.159 5.422 1.00 0.00 H new ATOM 0 HB3 ALA A 514 5.591 15.883 4.608 1.00 0.00 H new ATOM 79 N VAL A 515 5.742 12.158 5.735 1.00 0.00 N ATOM 80 CA VAL A 515 6.649 11.098 5.218 1.00 0.00 C ATOM 81 C VAL A 515 6.116 10.550 3.898 1.00 0.00 C ATOM 82 O VAL A 515 5.083 9.917 3.844 1.00 0.00 O ATOM 83 CB VAL A 515 6.789 9.972 6.245 1.00 0.00 C ATOM 84 CG1 VAL A 515 7.137 8.641 5.552 1.00 0.00 C ATOM 85 CG2 VAL A 515 7.914 10.349 7.204 1.00 0.00 C ATOM 0 H VAL A 515 4.872 11.827 6.153 1.00 0.00 H new ATOM 0 HA VAL A 515 7.634 11.532 5.044 1.00 0.00 H new ATOM 0 HB VAL A 515 5.846 9.844 6.777 1.00 0.00 H new ATOM 0 HG11 VAL A 515 7.232 7.855 6.301 1.00 0.00 H new ATOM 0 HG12 VAL A 515 6.346 8.379 4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 515 8.080 8.746 5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 515 8.036 9.562 7.949 1.00 0.00 H new ATOM 0 HG22 VAL A 515 8.843 10.468 6.646 1.00 0.00 H new ATOM 0 HG23 VAL A 515 7.668 11.286 7.703 1.00 0.00 H new ATOM 95 N ALA A 516 6.838 10.761 2.840 1.00 0.00 N ATOM 96 CA ALA A 516 6.396 10.228 1.525 1.00 0.00 C ATOM 97 C ALA A 516 7.134 8.923 1.284 1.00 0.00 C ATOM 98 O ALA A 516 8.327 8.917 1.036 1.00 0.00 O ATOM 99 CB ALA A 516 6.735 11.222 0.411 1.00 0.00 C ATOM 0 H ALA A 516 7.716 11.280 2.827 1.00 0.00 H new ATOM 0 HA ALA A 516 5.318 10.069 1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 516 6.406 10.820 -0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 516 6.228 12.168 0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 516 7.812 11.386 0.385 1.00 0.00 H new ATOM 105 N VAL A 517 6.466 7.807 1.376 1.00 0.00 N ATOM 106 CA VAL A 517 7.204 6.545 1.165 1.00 0.00 C ATOM 107 C VAL A 517 6.651 5.891 -0.100 1.00 0.00 C ATOM 108 O VAL A 517 5.454 5.852 -0.312 1.00 0.00 O ATOM 109 CB VAL A 517 6.986 5.582 2.329 1.00 0.00 C ATOM 110 CG1 VAL A 517 8.322 4.974 2.708 1.00 0.00 C ATOM 111 CG2 VAL A 517 6.365 6.252 3.545 1.00 0.00 C ATOM 0 H VAL A 517 5.471 7.719 1.582 1.00 0.00 H new ATOM 0 HA VAL A 517 8.269 6.762 1.083 1.00 0.00 H new ATOM 0 HB VAL A 517 6.283 4.816 2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 517 8.184 4.283 3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 517 8.733 4.437 1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 517 9.011 5.765 3.004 1.00 0.00 H new ATOM 0 HG21 VAL A 517 6.235 5.516 4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 517 7.019 7.051 3.894 1.00 0.00 H new ATOM 0 HG23 VAL A 517 5.395 6.670 3.275 1.00 0.00 H new ATOM 121 N THR A 518 7.496 5.370 -0.938 1.00 0.00 N ATOM 122 CA THR A 518 6.995 4.712 -2.170 1.00 0.00 C ATOM 123 C THR A 518 6.975 3.207 -1.937 1.00 0.00 C ATOM 124 O THR A 518 7.955 2.618 -1.538 1.00 0.00 O ATOM 125 CB THR A 518 7.914 5.045 -3.347 1.00 0.00 C ATOM 126 OG1 THR A 518 9.143 4.348 -3.197 1.00 0.00 O ATOM 127 CG2 THR A 518 8.180 6.551 -3.380 1.00 0.00 C ATOM 0 H THR A 518 8.510 5.371 -0.824 1.00 0.00 H new ATOM 0 HA THR A 518 5.991 5.067 -2.402 1.00 0.00 H new ATOM 0 HB THR A 518 7.436 4.743 -4.279 1.00 0.00 H new ATOM 0 HG1 THR A 518 9.099 3.774 -2.404 1.00 0.00 H new ATOM 0 HG21 THR A 518 8.835 6.787 -4.219 1.00 0.00 H new ATOM 0 HG22 THR A 518 7.237 7.085 -3.495 1.00 0.00 H new ATOM 0 HG23 THR A 518 8.658 6.856 -2.449 1.00 0.00 H new ATOM 135 N PHE A 519 5.866 2.584 -2.188 1.00 0.00 N ATOM 136 CA PHE A 519 5.777 1.113 -1.986 1.00 0.00 C ATOM 137 C PHE A 519 5.602 0.438 -3.335 1.00 0.00 C ATOM 138 O PHE A 519 5.043 0.995 -4.261 1.00 0.00 O ATOM 139 CB PHE A 519 4.580 0.739 -1.086 1.00 0.00 C ATOM 140 CG PHE A 519 4.294 1.851 -0.111 1.00 0.00 C ATOM 141 CD1 PHE A 519 3.791 3.078 -0.554 1.00 0.00 C ATOM 142 CD2 PHE A 519 4.559 1.652 1.242 1.00 0.00 C ATOM 143 CE1 PHE A 519 3.563 4.107 0.360 1.00 0.00 C ATOM 144 CE2 PHE A 519 4.327 2.681 2.158 1.00 0.00 C ATOM 145 CZ PHE A 519 3.834 3.907 1.713 1.00 0.00 C ATOM 0 H PHE A 519 5.012 3.028 -2.526 1.00 0.00 H new ATOM 0 HA PHE A 519 6.694 0.780 -1.499 1.00 0.00 H new ATOM 0 HB2 PHE A 519 3.700 0.549 -1.700 1.00 0.00 H new ATOM 0 HB3 PHE A 519 4.796 -0.182 -0.545 1.00 0.00 H new ATOM 0 HD1 PHE A 519 3.579 3.229 -1.602 1.00 0.00 H new ATOM 0 HD2 PHE A 519 4.944 0.702 1.583 1.00 0.00 H new ATOM 0 HE1 PHE A 519 3.177 5.057 0.020 1.00 0.00 H new ATOM 0 HE2 PHE A 519 4.529 2.527 3.208 1.00 0.00 H new ATOM 0 HZ PHE A 519 3.661 4.705 2.420 1.00 0.00 H new ATOM 155 N ASP A 520 6.062 -0.762 -3.450 1.00 0.00 N ATOM 156 CA ASP A 520 5.905 -1.487 -4.721 1.00 0.00 C ATOM 157 C ASP A 520 5.319 -2.850 -4.395 1.00 0.00 C ATOM 158 O ASP A 520 5.532 -3.378 -3.322 1.00 0.00 O ATOM 159 CB ASP A 520 7.264 -1.646 -5.393 1.00 0.00 C ATOM 160 CG ASP A 520 7.520 -0.461 -6.325 1.00 0.00 C ATOM 161 OD1 ASP A 520 7.437 0.663 -5.858 1.00 0.00 O ATOM 162 OD2 ASP A 520 7.794 -0.698 -7.490 1.00 0.00 O ATOM 0 H ASP A 520 6.544 -1.276 -2.712 1.00 0.00 H new ATOM 0 HA ASP A 520 5.251 -0.943 -5.402 1.00 0.00 H new ATOM 0 HB2 ASP A 520 8.049 -1.704 -4.639 1.00 0.00 H new ATOM 0 HB3 ASP A 520 7.295 -2.578 -5.957 1.00 0.00 H new ATOM 167 N LEU A 521 4.559 -3.419 -5.276 1.00 0.00 N ATOM 168 CA LEU A 521 3.960 -4.734 -4.958 1.00 0.00 C ATOM 169 C LEU A 521 3.488 -5.407 -6.229 1.00 0.00 C ATOM 170 O LEU A 521 2.367 -5.230 -6.643 1.00 0.00 O ATOM 171 CB LEU A 521 2.788 -4.505 -3.996 1.00 0.00 C ATOM 172 CG LEU A 521 1.787 -5.661 -4.057 1.00 0.00 C ATOM 173 CD1 LEU A 521 2.520 -6.983 -4.292 1.00 0.00 C ATOM 174 CD2 LEU A 521 1.023 -5.712 -2.736 1.00 0.00 C ATOM 0 H LEU A 521 4.328 -3.036 -6.193 1.00 0.00 H new ATOM 0 HA LEU A 521 4.697 -5.386 -4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 521 3.165 -4.400 -2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 521 2.285 -3.571 -4.248 1.00 0.00 H new ATOM 0 HG LEU A 521 1.092 -5.505 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 521 1.797 -7.798 -4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 521 3.066 -6.934 -5.234 1.00 0.00 H new ATOM 0 HD13 LEU A 521 3.220 -7.161 -3.476 1.00 0.00 H new ATOM 0 HD21 LEU A 521 0.305 -6.531 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 521 1.724 -5.870 -1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 521 0.495 -4.771 -2.585 1.00 0.00 H new ATOM 186 N THR A 522 4.307 -6.217 -6.828 1.00 0.00 N ATOM 187 CA THR A 522 3.835 -6.911 -8.074 1.00 0.00 C ATOM 188 C THR A 522 2.874 -8.046 -7.708 1.00 0.00 C ATOM 189 O THR A 522 3.228 -8.933 -6.963 1.00 0.00 O ATOM 190 CB THR A 522 5.029 -7.461 -8.858 1.00 0.00 C ATOM 191 OG1 THR A 522 5.788 -6.379 -9.380 1.00 0.00 O ATOM 192 CG2 THR A 522 4.529 -8.337 -10.008 1.00 0.00 C ATOM 0 H THR A 522 5.258 -6.432 -6.528 1.00 0.00 H new ATOM 0 HA THR A 522 3.309 -6.191 -8.701 1.00 0.00 H new ATOM 0 HB THR A 522 5.654 -8.059 -8.195 1.00 0.00 H new ATOM 0 HG1 THR A 522 6.488 -6.726 -9.972 1.00 0.00 H new ATOM 0 HG21 THR A 522 5.381 -8.727 -10.565 1.00 0.00 H new ATOM 0 HG22 THR A 522 3.947 -9.166 -9.607 1.00 0.00 H new ATOM 0 HG23 THR A 522 3.903 -7.742 -10.673 1.00 0.00 H new ATOM 200 N ALA A 523 1.650 -8.038 -8.216 1.00 0.00 N ATOM 201 CA ALA A 523 0.715 -9.151 -7.823 1.00 0.00 C ATOM 202 C ALA A 523 -0.498 -9.295 -8.727 1.00 0.00 C ATOM 203 O ALA A 523 -1.524 -9.728 -8.267 1.00 0.00 O ATOM 204 CB ALA A 523 0.202 -8.901 -6.417 1.00 0.00 C ATOM 0 H ALA A 523 1.274 -7.340 -8.858 1.00 0.00 H new ATOM 0 HA ALA A 523 1.299 -10.068 -7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 523 -0.475 -9.705 -6.129 1.00 0.00 H new ATOM 0 HB2 ALA A 523 1.042 -8.868 -5.724 1.00 0.00 H new ATOM 0 HB3 ALA A 523 -0.330 -7.950 -6.387 1.00 0.00 H new ATOM 210 N THR A 524 -0.381 -8.993 -9.977 1.00 0.00 N ATOM 211 CA THR A 524 -1.533 -9.171 -10.935 1.00 0.00 C ATOM 212 C THR A 524 -2.854 -8.478 -10.490 1.00 0.00 C ATOM 213 O THR A 524 -3.083 -8.158 -9.343 1.00 0.00 O ATOM 214 CB THR A 524 -1.804 -10.675 -11.092 1.00 0.00 C ATOM 215 OG1 THR A 524 -2.339 -10.924 -12.384 1.00 0.00 O ATOM 216 CG2 THR A 524 -2.804 -11.141 -10.026 1.00 0.00 C ATOM 0 H THR A 524 0.470 -8.623 -10.400 1.00 0.00 H new ATOM 0 HA THR A 524 -1.234 -8.696 -11.870 1.00 0.00 H new ATOM 0 HB THR A 524 -0.870 -11.223 -10.969 1.00 0.00 H new ATOM 0 HG1 THR A 524 -2.511 -11.883 -12.487 1.00 0.00 H new ATOM 0 HG21 THR A 524 -2.991 -12.208 -10.144 1.00 0.00 H new ATOM 0 HG22 THR A 524 -2.393 -10.952 -9.034 1.00 0.00 H new ATOM 0 HG23 THR A 524 -3.740 -10.594 -10.141 1.00 0.00 H new ATOM 224 N THR A 525 -3.756 -8.331 -11.414 1.00 0.00 N ATOM 225 CA THR A 525 -5.103 -7.730 -11.094 1.00 0.00 C ATOM 226 C THR A 525 -6.195 -8.501 -11.826 1.00 0.00 C ATOM 227 O THR A 525 -5.927 -9.411 -12.584 1.00 0.00 O ATOM 228 CB THR A 525 -5.187 -6.250 -11.529 1.00 0.00 C ATOM 229 OG1 THR A 525 -6.268 -5.629 -10.855 1.00 0.00 O ATOM 230 CG2 THR A 525 -5.405 -6.127 -13.041 1.00 0.00 C ATOM 0 H THR A 525 -3.629 -8.600 -12.390 1.00 0.00 H new ATOM 0 HA THR A 525 -5.238 -7.790 -10.014 1.00 0.00 H new ATOM 0 HB THR A 525 -4.245 -5.763 -11.275 1.00 0.00 H new ATOM 0 HG1 THR A 525 -6.094 -5.626 -9.891 1.00 0.00 H new ATOM 0 HG21 THR A 525 -5.460 -5.074 -13.316 1.00 0.00 H new ATOM 0 HG22 THR A 525 -4.574 -6.597 -13.568 1.00 0.00 H new ATOM 0 HG23 THR A 525 -6.336 -6.623 -13.316 1.00 0.00 H new ATOM 295 N ASN A 530 -8.323 -1.940 -7.316 1.00 0.00 N ATOM 296 CA ASN A 530 -7.132 -1.174 -6.805 1.00 0.00 C ATOM 297 C ASN A 530 -6.447 -2.013 -5.745 1.00 0.00 C ATOM 298 O ASN A 530 -7.090 -2.684 -4.982 1.00 0.00 O ATOM 299 CB ASN A 530 -7.586 0.155 -6.195 1.00 0.00 C ATOM 300 CG ASN A 530 -6.366 0.987 -5.775 1.00 0.00 C ATOM 301 OD1 ASN A 530 -6.143 2.059 -6.301 1.00 0.00 O ATOM 302 ND2 ASN A 530 -5.559 0.540 -4.845 1.00 0.00 N ATOM 0 HA ASN A 530 -6.445 -0.964 -7.625 1.00 0.00 H new ATOM 0 HB2 ASN A 530 -8.183 0.711 -6.918 1.00 0.00 H new ATOM 0 HB3 ASN A 530 -8.224 -0.032 -5.331 1.00 0.00 H new ATOM 0 HD21 ASN A 530 -4.748 1.091 -4.566 1.00 0.00 H new ATOM 0 HD22 ASN A 530 -5.742 -0.360 -4.400 1.00 0.00 H new ATOM 309 N ILE A 531 -5.148 -1.982 -5.676 1.00 0.00 N ATOM 310 CA ILE A 531 -4.463 -2.788 -4.629 1.00 0.00 C ATOM 311 C ILE A 531 -3.826 -1.803 -3.651 1.00 0.00 C ATOM 312 O ILE A 531 -3.018 -0.982 -4.015 1.00 0.00 O ATOM 313 CB ILE A 531 -3.452 -3.714 -5.318 1.00 0.00 C ATOM 314 CG1 ILE A 531 -3.351 -5.046 -4.610 1.00 0.00 C ATOM 315 CG2 ILE A 531 -2.073 -3.080 -5.368 1.00 0.00 C ATOM 316 CD1 ILE A 531 -2.947 -6.109 -5.622 1.00 0.00 C ATOM 0 H ILE A 531 -4.537 -1.442 -6.289 1.00 0.00 H new ATOM 0 HA ILE A 531 -5.141 -3.429 -4.065 1.00 0.00 H new ATOM 0 HB ILE A 531 -3.815 -3.875 -6.333 1.00 0.00 H new ATOM 0 HG12 ILE A 531 -2.617 -4.992 -3.806 1.00 0.00 H new ATOM 0 HG13 ILE A 531 -4.306 -5.304 -4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 531 -1.378 -3.759 -5.862 1.00 0.00 H new ATOM 0 HG22 ILE A 531 -2.123 -2.144 -5.925 1.00 0.00 H new ATOM 0 HG23 ILE A 531 -1.727 -2.881 -4.354 1.00 0.00 H new ATOM 0 HD11 ILE A 531 -2.871 -7.075 -5.124 1.00 0.00 H new ATOM 0 HD12 ILE A 531 -3.698 -6.165 -6.410 1.00 0.00 H new ATOM 0 HD13 ILE A 531 -1.983 -5.848 -6.058 1.00 0.00 H new ATOM 328 N TYR A 532 -4.299 -1.797 -2.440 1.00 0.00 N ATOM 329 CA TYR A 532 -3.844 -0.775 -1.459 1.00 0.00 C ATOM 330 C TYR A 532 -2.811 -1.194 -0.436 1.00 0.00 C ATOM 331 O TYR A 532 -2.258 -2.266 -0.445 1.00 0.00 O ATOM 332 CB TYR A 532 -5.037 -0.374 -0.675 1.00 0.00 C ATOM 333 CG TYR A 532 -5.542 0.891 -1.214 1.00 0.00 C ATOM 334 CD1 TYR A 532 -6.336 0.878 -2.359 1.00 0.00 C ATOM 335 CD2 TYR A 532 -5.269 2.064 -0.521 1.00 0.00 C ATOM 336 CE1 TYR A 532 -6.891 2.077 -2.816 1.00 0.00 C ATOM 337 CE2 TYR A 532 -5.803 3.272 -0.986 1.00 0.00 C ATOM 338 CZ TYR A 532 -6.626 3.277 -2.128 1.00 0.00 C ATOM 339 OH TYR A 532 -7.173 4.462 -2.576 1.00 0.00 O ATOM 0 H TYR A 532 -4.987 -2.461 -2.084 1.00 0.00 H new ATOM 0 HA TYR A 532 -3.369 -0.004 -2.066 1.00 0.00 H new ATOM 0 HB2 TYR A 532 -5.806 -1.145 -0.734 1.00 0.00 H new ATOM 0 HB3 TYR A 532 -4.778 -0.261 0.378 1.00 0.00 H new ATOM 0 HD1 TYR A 532 -6.520 -0.046 -2.887 1.00 0.00 H new ATOM 0 HD2 TYR A 532 -4.652 2.044 0.365 1.00 0.00 H new ATOM 0 HE1 TYR A 532 -7.521 2.083 -3.693 1.00 0.00 H new ATOM 0 HE2 TYR A 532 -5.584 4.196 -0.471 1.00 0.00 H new ATOM 0 HH TYR A 532 -6.892 5.195 -1.989 1.00 0.00 H new ATOM 349 N LEU A 533 -2.580 -0.273 0.475 1.00 0.00 N ATOM 350 CA LEU A 533 -1.603 -0.488 1.556 1.00 0.00 C ATOM 351 C LEU A 533 -2.168 -0.036 2.913 1.00 0.00 C ATOM 352 O LEU A 533 -1.917 1.063 3.355 1.00 0.00 O ATOM 353 CB LEU A 533 -0.361 0.341 1.251 1.00 0.00 C ATOM 354 CG LEU A 533 0.842 -0.258 1.953 1.00 0.00 C ATOM 355 CD1 LEU A 533 0.576 -0.286 3.460 1.00 0.00 C ATOM 356 CD2 LEU A 533 1.056 -1.671 1.421 1.00 0.00 C ATOM 0 H LEU A 533 -3.047 0.634 0.501 1.00 0.00 H new ATOM 0 HA LEU A 533 -1.370 -1.551 1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 533 -0.188 0.371 0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 533 -0.510 1.370 1.579 1.00 0.00 H new ATOM 0 HG LEU A 533 1.736 0.337 1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 533 1.436 -0.715 3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 533 0.409 0.730 3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 533 -0.307 -0.892 3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 533 1.918 -2.119 1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 533 0.170 -2.273 1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 533 1.233 -1.632 0.346 1.00 0.00 H new ATOM 368 N VAL A 534 -2.915 -0.865 3.585 1.00 0.00 N ATOM 369 CA VAL A 534 -3.464 -0.446 4.918 1.00 0.00 C ATOM 370 C VAL A 534 -2.663 -1.148 6.055 1.00 0.00 C ATOM 371 O VAL A 534 -2.573 -2.355 6.145 1.00 0.00 O ATOM 372 CB VAL A 534 -4.979 -0.764 4.977 1.00 0.00 C ATOM 373 CG1 VAL A 534 -5.269 -2.076 5.610 1.00 0.00 C ATOM 374 CG2 VAL A 534 -5.752 0.208 5.810 1.00 0.00 C ATOM 0 H VAL A 534 -3.171 -1.804 3.280 1.00 0.00 H new ATOM 0 HA VAL A 534 -3.351 0.629 5.056 1.00 0.00 H new ATOM 0 HB VAL A 534 -5.274 -0.733 3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 534 -6.346 -2.244 5.623 1.00 0.00 H new ATOM 0 HG12 VAL A 534 -4.785 -2.870 5.041 1.00 0.00 H new ATOM 0 HG13 VAL A 534 -4.889 -2.079 6.632 1.00 0.00 H new ATOM 0 HG21 VAL A 534 -6.806 -0.071 5.810 1.00 0.00 H new ATOM 0 HG22 VAL A 534 -5.373 0.194 6.832 1.00 0.00 H new ATOM 0 HG23 VAL A 534 -5.642 1.210 5.396 1.00 0.00 H new ATOM 384 N GLY A 535 -2.095 -0.336 6.909 1.00 0.00 N ATOM 385 CA GLY A 535 -1.264 -0.774 8.100 1.00 0.00 C ATOM 386 C GLY A 535 -1.750 -0.052 9.385 1.00 0.00 C ATOM 387 O GLY A 535 -2.834 -0.260 9.799 1.00 0.00 O ATOM 0 H GLY A 535 -2.173 0.678 6.832 1.00 0.00 H new ATOM 0 HA2 GLY A 535 -1.341 -1.854 8.229 1.00 0.00 H new ATOM 0 HA3 GLY A 535 -0.213 -0.548 7.922 1.00 0.00 H new ATOM 391 N SER A 536 -0.997 0.827 10.030 1.00 0.00 N ATOM 392 CA SER A 536 -1.580 1.483 11.275 1.00 0.00 C ATOM 393 C SER A 536 -1.282 2.985 11.385 1.00 0.00 C ATOM 394 O SER A 536 -0.379 3.368 12.104 1.00 0.00 O ATOM 395 CB SER A 536 -1.033 0.811 12.537 1.00 0.00 C ATOM 396 OG SER A 536 -1.797 1.243 13.657 1.00 0.00 O ATOM 0 H SER A 536 -0.052 1.111 9.771 1.00 0.00 H new ATOM 0 HA SER A 536 -2.659 1.357 11.184 1.00 0.00 H new ATOM 0 HB2 SER A 536 -1.086 -0.273 12.440 1.00 0.00 H new ATOM 0 HB3 SER A 536 0.017 1.067 12.676 1.00 0.00 H new ATOM 0 HG SER A 536 -1.455 0.817 14.470 1.00 0.00 H new ATOM 402 N ILE A 537 -2.062 3.845 10.745 1.00 0.00 N ATOM 403 CA ILE A 537 -1.839 5.294 10.891 1.00 0.00 C ATOM 404 C ILE A 537 -3.148 6.076 10.818 1.00 0.00 C ATOM 405 O ILE A 537 -4.073 5.741 10.130 1.00 0.00 O ATOM 406 CB ILE A 537 -0.794 5.761 9.894 1.00 0.00 C ATOM 407 CG1 ILE A 537 0.555 5.258 10.362 1.00 0.00 C ATOM 408 CG2 ILE A 537 -0.709 7.278 9.849 1.00 0.00 C ATOM 409 CD1 ILE A 537 0.867 5.872 11.734 1.00 0.00 C ATOM 0 H ILE A 537 -2.836 3.585 10.134 1.00 0.00 H new ATOM 0 HA ILE A 537 -1.442 5.496 11.886 1.00 0.00 H new ATOM 0 HB ILE A 537 -1.066 5.384 8.908 1.00 0.00 H new ATOM 0 HG12 ILE A 537 0.549 4.170 10.429 1.00 0.00 H new ATOM 0 HG13 ILE A 537 1.328 5.529 9.643 1.00 0.00 H new ATOM 0 HG21 ILE A 537 0.049 7.579 9.125 1.00 0.00 H new ATOM 0 HG22 ILE A 537 -1.675 7.688 9.555 1.00 0.00 H new ATOM 0 HG23 ILE A 537 -0.439 7.657 10.835 1.00 0.00 H new ATOM 0 HD11 ILE A 537 1.837 5.516 12.080 1.00 0.00 H new ATOM 0 HD12 ILE A 537 0.888 6.959 11.650 1.00 0.00 H new ATOM 0 HD13 ILE A 537 0.097 5.578 12.448 1.00 0.00 H new ATOM 421 N SER A 538 -3.249 7.094 11.607 1.00 0.00 N ATOM 422 CA SER A 538 -4.535 7.870 11.645 1.00 0.00 C ATOM 423 C SER A 538 -4.670 8.782 10.422 1.00 0.00 C ATOM 424 O SER A 538 -5.754 8.993 9.915 1.00 0.00 O ATOM 425 CB SER A 538 -4.600 8.703 12.925 1.00 0.00 C ATOM 426 OG SER A 538 -4.505 7.842 14.051 1.00 0.00 O ATOM 0 H SER A 538 -2.513 7.432 12.227 1.00 0.00 H new ATOM 0 HA SER A 538 -5.361 7.159 11.630 1.00 0.00 H new ATOM 0 HB2 SER A 538 -3.789 9.431 12.940 1.00 0.00 H new ATOM 0 HB3 SER A 538 -5.533 9.265 12.960 1.00 0.00 H new ATOM 0 HG SER A 538 -4.545 8.373 14.873 1.00 0.00 H new ATOM 432 N GLN A 539 -3.587 9.274 9.910 1.00 0.00 N ATOM 433 CA GLN A 539 -3.655 10.110 8.685 1.00 0.00 C ATOM 434 C GLN A 539 -3.631 9.124 7.535 1.00 0.00 C ATOM 435 O GLN A 539 -4.105 9.377 6.446 1.00 0.00 O ATOM 436 CB GLN A 539 -2.451 11.048 8.603 1.00 0.00 C ATOM 437 CG GLN A 539 -2.803 12.238 7.709 1.00 0.00 C ATOM 438 CD GLN A 539 -2.946 11.770 6.259 1.00 0.00 C ATOM 439 OE1 GLN A 539 -3.847 12.190 5.560 1.00 0.00 O ATOM 440 NE2 GLN A 539 -2.091 10.911 5.774 1.00 0.00 N ATOM 0 H GLN A 539 -2.650 9.134 10.288 1.00 0.00 H new ATOM 0 HA GLN A 539 -4.545 10.739 8.672 1.00 0.00 H new ATOM 0 HB2 GLN A 539 -2.176 11.395 9.599 1.00 0.00 H new ATOM 0 HB3 GLN A 539 -1.588 10.518 8.200 1.00 0.00 H new ATOM 0 HG2 GLN A 539 -3.733 12.696 8.047 1.00 0.00 H new ATOM 0 HG3 GLN A 539 -2.027 13.001 7.780 1.00 0.00 H new ATOM 0 HE21 GLN A 539 -1.334 10.558 6.360 1.00 0.00 H new ATOM 0 HE22 GLN A 539 -2.179 10.593 4.809 1.00 0.00 H new ATOM 449 N LEU A 540 -3.136 7.957 7.830 1.00 0.00 N ATOM 450 CA LEU A 540 -3.115 6.866 6.861 1.00 0.00 C ATOM 451 C LEU A 540 -3.790 5.755 7.596 1.00 0.00 C ATOM 452 O LEU A 540 -3.124 4.928 8.119 1.00 0.00 O ATOM 453 CB LEU A 540 -1.679 6.475 6.507 1.00 0.00 C ATOM 454 CG LEU A 540 -1.665 5.538 5.301 1.00 0.00 C ATOM 455 CD1 LEU A 540 -0.733 6.117 4.237 1.00 0.00 C ATOM 456 CD2 LEU A 540 -1.167 4.143 5.731 1.00 0.00 C ATOM 0 H LEU A 540 -2.735 7.722 8.738 1.00 0.00 H new ATOM 0 HA LEU A 540 -3.597 7.123 5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 540 -1.095 7.369 6.288 1.00 0.00 H new ATOM 0 HB3 LEU A 540 -1.207 5.987 7.360 1.00 0.00 H new ATOM 0 HG LEU A 540 -2.672 5.442 4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 540 -0.715 5.456 3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 540 -1.092 7.101 3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 540 0.274 6.208 4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 540 -1.159 3.478 4.868 1.00 0.00 H new ATOM 0 HD22 LEU A 540 -0.158 4.226 6.135 1.00 0.00 H new ATOM 0 HD23 LEU A 540 -1.832 3.739 6.494 1.00 0.00 H new ATOM 468 N GLY A 541 -5.111 5.818 7.695 1.00 0.00 N ATOM 469 CA GLY A 541 -5.942 4.829 8.478 1.00 0.00 C ATOM 470 C GLY A 541 -5.141 3.580 8.657 1.00 0.00 C ATOM 471 O GLY A 541 -4.869 3.115 9.746 1.00 0.00 O ATOM 0 H GLY A 541 -5.666 6.546 7.245 1.00 0.00 H new ATOM 0 HA2 GLY A 541 -6.216 5.246 9.447 1.00 0.00 H new ATOM 0 HA3 GLY A 541 -6.871 4.612 7.950 1.00 0.00 H new ATOM 475 N ASP A 542 -4.694 3.107 7.563 1.00 0.00 N ATOM 476 CA ASP A 542 -3.799 1.945 7.538 1.00 0.00 C ATOM 477 C ASP A 542 -4.585 0.702 8.130 1.00 0.00 C ATOM 478 O ASP A 542 -4.189 -0.428 8.003 1.00 0.00 O ATOM 479 CB ASP A 542 -2.585 2.394 8.375 1.00 0.00 C ATOM 480 CG ASP A 542 -1.199 2.113 7.735 1.00 0.00 C ATOM 481 OD1 ASP A 542 -1.136 1.771 6.569 1.00 0.00 O ATOM 482 OD2 ASP A 542 -0.212 2.370 8.398 1.00 0.00 O ATOM 0 H ASP A 542 -4.917 3.488 6.644 1.00 0.00 H new ATOM 0 HA ASP A 542 -3.462 1.628 6.551 1.00 0.00 H new ATOM 0 HB2 ASP A 542 -2.670 3.464 8.563 1.00 0.00 H new ATOM 0 HB3 ASP A 542 -2.628 1.896 9.343 1.00 0.00 H new ATOM 487 N TRP A 543 -5.793 0.891 8.632 1.00 0.00 N ATOM 488 CA TRP A 543 -6.653 -0.265 9.086 1.00 0.00 C ATOM 489 C TRP A 543 -8.052 -0.041 8.543 1.00 0.00 C ATOM 490 O TRP A 543 -9.026 -0.627 8.973 1.00 0.00 O ATOM 491 CB TRP A 543 -6.751 -0.373 10.587 1.00 0.00 C ATOM 492 CG TRP A 543 -5.424 -0.756 11.105 1.00 0.00 C ATOM 493 CD1 TRP A 543 -4.738 -0.073 12.034 1.00 0.00 C ATOM 494 CD2 TRP A 543 -4.595 -1.881 10.711 1.00 0.00 C ATOM 495 NE1 TRP A 543 -3.528 -0.687 12.231 1.00 0.00 N ATOM 496 CE2 TRP A 543 -3.387 -1.812 11.434 1.00 0.00 C ATOM 497 CE3 TRP A 543 -4.764 -2.936 9.797 1.00 0.00 C ATOM 498 CZ2 TRP A 543 -2.377 -2.743 11.245 1.00 0.00 C ATOM 499 CZ3 TRP A 543 -3.749 -3.888 9.615 1.00 0.00 C ATOM 500 CH2 TRP A 543 -2.551 -3.785 10.333 1.00 0.00 C ATOM 0 H TRP A 543 -6.224 1.808 8.748 1.00 0.00 H new ATOM 0 HA TRP A 543 -6.197 -1.184 8.718 1.00 0.00 H new ATOM 0 HB2 TRP A 543 -7.068 0.577 11.017 1.00 0.00 H new ATOM 0 HB3 TRP A 543 -7.498 -1.115 10.868 1.00 0.00 H new ATOM 0 HD1 TRP A 543 -5.082 0.815 12.543 1.00 0.00 H new ATOM 0 HE1 TRP A 543 -2.818 -0.356 12.884 1.00 0.00 H new ATOM 0 HE3 TRP A 543 -5.681 -3.014 9.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 543 -1.456 -2.662 11.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 543 -3.892 -4.702 8.920 1.00 0.00 H new ATOM 0 HH2 TRP A 543 -1.764 -4.509 10.181 1.00 0.00 H new ATOM 511 N GLU A 544 -8.111 0.785 7.560 1.00 0.00 N ATOM 512 CA GLU A 544 -9.346 1.116 6.837 1.00 0.00 C ATOM 513 C GLU A 544 -8.790 1.639 5.549 1.00 0.00 C ATOM 514 O GLU A 544 -8.302 2.743 5.505 1.00 0.00 O ATOM 515 CB GLU A 544 -10.136 2.215 7.540 1.00 0.00 C ATOM 516 CG GLU A 544 -11.334 2.606 6.673 1.00 0.00 C ATOM 517 CD GLU A 544 -12.616 2.530 7.505 1.00 0.00 C ATOM 518 OE1 GLU A 544 -12.538 2.761 8.700 1.00 0.00 O ATOM 519 OE2 GLU A 544 -13.654 2.242 6.932 1.00 0.00 O ATOM 0 H GLU A 544 -7.292 1.278 7.205 1.00 0.00 H new ATOM 0 HA GLU A 544 -10.036 0.277 6.745 1.00 0.00 H new ATOM 0 HB2 GLU A 544 -10.476 1.868 8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 544 -9.499 3.082 7.714 1.00 0.00 H new ATOM 0 HG2 GLU A 544 -11.200 3.615 6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 544 -11.406 1.940 5.813 1.00 0.00 H new ATOM 526 N THR A 545 -8.740 0.838 4.534 1.00 0.00 N ATOM 527 CA THR A 545 -8.079 1.309 3.301 1.00 0.00 C ATOM 528 C THR A 545 -8.642 2.676 2.871 1.00 0.00 C ATOM 529 O THR A 545 -8.098 3.317 1.994 1.00 0.00 O ATOM 530 CB THR A 545 -8.280 0.317 2.137 1.00 0.00 C ATOM 531 OG1 THR A 545 -9.509 0.611 1.488 1.00 0.00 O ATOM 532 CG2 THR A 545 -8.315 -1.130 2.641 1.00 0.00 C ATOM 0 H THR A 545 -9.121 -0.107 4.503 1.00 0.00 H new ATOM 0 HA THR A 545 -7.016 1.393 3.525 1.00 0.00 H new ATOM 0 HB THR A 545 -7.444 0.421 1.445 1.00 0.00 H new ATOM 0 HG1 THR A 545 -9.644 -0.014 0.745 1.00 0.00 H new ATOM 0 HG21 THR A 545 -8.458 -1.806 1.798 1.00 0.00 H new ATOM 0 HG22 THR A 545 -7.374 -1.365 3.139 1.00 0.00 H new ATOM 0 HG23 THR A 545 -9.138 -1.250 3.346 1.00 0.00 H new ATOM 540 N SER A 546 -9.726 3.132 3.456 1.00 0.00 N ATOM 541 CA SER A 546 -10.283 4.454 3.044 1.00 0.00 C ATOM 542 C SER A 546 -9.162 5.493 3.067 1.00 0.00 C ATOM 543 O SER A 546 -9.230 6.517 2.415 1.00 0.00 O ATOM 544 CB SER A 546 -11.385 4.871 4.019 1.00 0.00 C ATOM 545 OG SER A 546 -12.465 5.441 3.290 1.00 0.00 O ATOM 0 H SER A 546 -10.241 2.650 4.192 1.00 0.00 H new ATOM 0 HA SER A 546 -10.700 4.382 2.040 1.00 0.00 H new ATOM 0 HB2 SER A 546 -11.730 4.007 4.587 1.00 0.00 H new ATOM 0 HB3 SER A 546 -10.996 5.591 4.739 1.00 0.00 H new ATOM 0 HG SER A 546 -13.174 5.708 3.911 1.00 0.00 H new ATOM 551 N ASP A 547 -8.128 5.227 3.815 1.00 0.00 N ATOM 552 CA ASP A 547 -6.991 6.175 3.895 1.00 0.00 C ATOM 553 C ASP A 547 -5.679 5.399 4.077 1.00 0.00 C ATOM 554 O ASP A 547 -4.815 5.814 4.818 1.00 0.00 O ATOM 555 CB ASP A 547 -7.195 7.114 5.086 1.00 0.00 C ATOM 556 CG ASP A 547 -8.364 8.058 4.798 1.00 0.00 C ATOM 557 OD1 ASP A 547 -8.410 8.595 3.704 1.00 0.00 O ATOM 558 OD2 ASP A 547 -9.193 8.227 5.677 1.00 0.00 O ATOM 0 H ASP A 547 -8.025 4.383 4.379 1.00 0.00 H new ATOM 0 HA ASP A 547 -6.941 6.756 2.974 1.00 0.00 H new ATOM 0 HB2 ASP A 547 -7.394 6.536 5.988 1.00 0.00 H new ATOM 0 HB3 ASP A 547 -6.287 7.688 5.270 1.00 0.00 H new ATOM 563 N GLY A 548 -5.516 4.285 3.398 1.00 0.00 N ATOM 564 CA GLY A 548 -4.251 3.510 3.513 1.00 0.00 C ATOM 565 C GLY A 548 -3.314 3.988 2.406 1.00 0.00 C ATOM 566 O GLY A 548 -2.946 5.144 2.354 1.00 0.00 O ATOM 0 H GLY A 548 -6.211 3.884 2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 548 -3.796 3.662 4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 548 -4.446 2.442 3.415 1.00 0.00 H new ATOM 570 N ILE A 549 -2.946 3.123 1.498 1.00 0.00 N ATOM 571 CA ILE A 549 -2.058 3.575 0.385 1.00 0.00 C ATOM 572 C ILE A 549 -2.297 2.746 -0.886 1.00 0.00 C ATOM 573 O ILE A 549 -1.686 1.719 -1.106 1.00 0.00 O ATOM 574 CB ILE A 549 -0.569 3.501 0.795 1.00 0.00 C ATOM 575 CG1 ILE A 549 -0.430 3.525 2.317 1.00 0.00 C ATOM 576 CG2 ILE A 549 0.197 4.701 0.237 1.00 0.00 C ATOM 577 CD1 ILE A 549 0.899 2.883 2.719 1.00 0.00 C ATOM 0 H ILE A 549 -3.216 2.140 1.477 1.00 0.00 H new ATOM 0 HA ILE A 549 -2.307 4.615 0.171 1.00 0.00 H new ATOM 0 HB ILE A 549 -0.163 2.572 0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 549 -0.475 4.552 2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 549 -1.259 2.988 2.777 1.00 0.00 H new ATOM 0 HG21 ILE A 549 1.244 4.635 0.534 1.00 0.00 H new ATOM 0 HG22 ILE A 549 0.128 4.703 -0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 549 -0.234 5.622 0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 549 0.998 2.900 3.804 1.00 0.00 H new ATOM 0 HD12 ILE A 549 0.925 1.851 2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 549 1.722 3.439 2.271 1.00 0.00 H new ATOM 589 N ALA A 550 -3.187 3.214 -1.724 1.00 0.00 N ATOM 590 CA ALA A 550 -3.508 2.510 -3.007 1.00 0.00 C ATOM 591 C ALA A 550 -2.243 2.244 -3.830 1.00 0.00 C ATOM 592 O ALA A 550 -1.200 2.825 -3.605 1.00 0.00 O ATOM 593 CB ALA A 550 -4.440 3.386 -3.836 1.00 0.00 C ATOM 0 H ALA A 550 -3.717 4.072 -1.571 1.00 0.00 H new ATOM 0 HA ALA A 550 -3.977 1.557 -2.761 1.00 0.00 H new ATOM 0 HB1 ALA A 550 -4.678 2.880 -4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 550 -5.359 3.569 -3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 550 -3.951 4.336 -4.051 1.00 0.00 H new ATOM 599 N LEU A 551 -2.350 1.371 -4.801 1.00 0.00 N ATOM 600 CA LEU A 551 -1.175 1.052 -5.679 1.00 0.00 C ATOM 601 C LEU A 551 -1.667 0.742 -7.097 1.00 0.00 C ATOM 602 O LEU A 551 -2.741 0.185 -7.278 1.00 0.00 O ATOM 603 CB LEU A 551 -0.435 -0.185 -5.141 1.00 0.00 C ATOM 604 CG LEU A 551 0.155 0.077 -3.751 1.00 0.00 C ATOM 605 CD1 LEU A 551 -0.842 -0.339 -2.670 1.00 0.00 C ATOM 606 CD2 LEU A 551 1.430 -0.753 -3.590 1.00 0.00 C ATOM 0 H LEU A 551 -3.204 0.861 -5.027 1.00 0.00 H new ATOM 0 HA LEU A 551 -0.502 1.909 -5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 551 -1.122 -1.030 -5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 551 0.363 -0.462 -5.830 1.00 0.00 H new ATOM 0 HG LEU A 551 0.375 1.140 -3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 551 -0.413 -0.149 -1.686 1.00 0.00 H new ATOM 0 HD12 LEU A 551 -1.761 0.236 -2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 551 -1.064 -1.401 -2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 551 1.858 -0.574 -2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 551 1.191 -1.811 -3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 551 2.150 -0.466 -4.356 1.00 0.00 H new ATOM 618 N SER A 552 -0.892 1.106 -8.105 1.00 0.00 N ATOM 619 CA SER A 552 -1.333 0.828 -9.522 1.00 0.00 C ATOM 620 C SER A 552 -0.148 0.337 -10.400 1.00 0.00 C ATOM 621 O SER A 552 0.901 -0.020 -9.910 1.00 0.00 O ATOM 622 CB SER A 552 -1.865 2.117 -10.146 1.00 0.00 C ATOM 623 OG SER A 552 -2.940 1.827 -11.023 1.00 0.00 O ATOM 0 H SER A 552 0.009 1.574 -8.011 1.00 0.00 H new ATOM 0 HA SER A 552 -2.100 0.055 -9.484 1.00 0.00 H new ATOM 0 HB2 SER A 552 -2.198 2.798 -9.363 1.00 0.00 H new ATOM 0 HB3 SER A 552 -1.068 2.622 -10.691 1.00 0.00 H new ATOM 0 HG SER A 552 -3.275 2.660 -11.417 1.00 0.00 H new ATOM 629 N ALA A 553 -0.311 0.355 -11.711 1.00 0.00 N ATOM 630 CA ALA A 553 0.797 -0.069 -12.642 1.00 0.00 C ATOM 631 C ALA A 553 0.600 0.623 -13.994 1.00 0.00 C ATOM 632 O ALA A 553 0.074 0.039 -14.921 1.00 0.00 O ATOM 633 CB ALA A 553 0.790 -1.595 -12.871 1.00 0.00 C ATOM 0 H ALA A 553 -1.170 0.647 -12.178 1.00 0.00 H new ATOM 0 HA ALA A 553 1.748 0.211 -12.189 1.00 0.00 H new ATOM 0 HB1 ALA A 553 1.601 -1.865 -13.547 1.00 0.00 H new ATOM 0 HB2 ALA A 553 0.926 -2.107 -11.918 1.00 0.00 H new ATOM 0 HB3 ALA A 553 -0.162 -1.893 -13.310 1.00 0.00 H new ATOM 639 N ASP A 554 1.029 1.853 -14.122 1.00 0.00 N ATOM 640 CA ASP A 554 0.881 2.562 -15.420 1.00 0.00 C ATOM 641 C ASP A 554 1.453 1.652 -16.488 1.00 0.00 C ATOM 642 O ASP A 554 0.997 1.617 -17.614 1.00 0.00 O ATOM 643 CB ASP A 554 1.657 3.881 -15.385 1.00 0.00 C ATOM 644 CG ASP A 554 3.098 3.616 -14.946 1.00 0.00 C ATOM 645 OD1 ASP A 554 3.875 3.167 -15.773 1.00 0.00 O ATOM 646 OD2 ASP A 554 3.400 3.868 -13.792 1.00 0.00 O ATOM 0 H ASP A 554 1.475 2.394 -13.381 1.00 0.00 H new ATOM 0 HA ASP A 554 -0.165 2.791 -15.623 1.00 0.00 H new ATOM 0 HB2 ASP A 554 1.646 4.347 -16.370 1.00 0.00 H new ATOM 0 HB3 ASP A 554 1.179 4.578 -14.697 1.00 0.00 H new ATOM 651 N LYS A 555 2.430 0.875 -16.117 1.00 0.00 N ATOM 652 CA LYS A 555 3.013 -0.080 -17.079 1.00 0.00 C ATOM 653 C LYS A 555 1.866 -0.961 -17.568 1.00 0.00 C ATOM 654 O LYS A 555 1.455 -0.865 -18.707 1.00 0.00 O ATOM 655 CB LYS A 555 4.079 -0.912 -16.376 1.00 0.00 C ATOM 656 CG LYS A 555 4.885 -0.017 -15.431 1.00 0.00 C ATOM 657 CD LYS A 555 4.620 -0.432 -13.983 1.00 0.00 C ATOM 658 CE LYS A 555 5.662 0.214 -13.068 1.00 0.00 C ATOM 659 NZ LYS A 555 6.025 -0.736 -11.979 1.00 0.00 N ATOM 0 H LYS A 555 2.846 0.865 -15.186 1.00 0.00 H new ATOM 0 HA LYS A 555 3.487 0.425 -17.921 1.00 0.00 H new ATOM 0 HB2 LYS A 555 3.612 -1.723 -15.816 1.00 0.00 H new ATOM 0 HB3 LYS A 555 4.740 -1.371 -17.111 1.00 0.00 H new ATOM 0 HG2 LYS A 555 5.949 -0.099 -15.655 1.00 0.00 H new ATOM 0 HG3 LYS A 555 4.608 1.027 -15.578 1.00 0.00 H new ATOM 0 HD2 LYS A 555 3.618 -0.126 -13.683 1.00 0.00 H new ATOM 0 HD3 LYS A 555 4.663 -1.517 -13.891 1.00 0.00 H new ATOM 0 HE2 LYS A 555 6.549 0.482 -13.642 1.00 0.00 H new ATOM 0 HE3 LYS A 555 5.266 1.137 -12.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 555 6.964 -0.492 -11.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 555 5.321 -0.674 -11.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 555 6.043 -1.705 -12.356 1.00 0.00 H new ATOM 730 N ASP A 560 -4.043 -2.111 -13.414 1.00 0.00 N ATOM 731 CA ASP A 560 -2.912 -1.798 -12.493 1.00 0.00 C ATOM 732 C ASP A 560 -2.491 -3.052 -11.701 1.00 0.00 C ATOM 733 O ASP A 560 -2.269 -2.956 -10.524 1.00 0.00 O ATOM 734 CB ASP A 560 -3.381 -0.737 -11.501 1.00 0.00 C ATOM 735 CG ASP A 560 -4.456 0.149 -12.144 1.00 0.00 C ATOM 736 OD1 ASP A 560 -4.356 0.400 -13.334 1.00 0.00 O ATOM 737 OD2 ASP A 560 -5.360 0.559 -11.434 1.00 0.00 O ATOM 0 HA ASP A 560 -2.063 -1.446 -13.079 1.00 0.00 H new ATOM 0 HB2 ASP A 560 -3.780 -1.216 -10.607 1.00 0.00 H new ATOM 0 HB3 ASP A 560 -2.536 -0.125 -11.185 1.00 0.00 H new ATOM 742 N PRO A 561 -2.403 -4.184 -12.364 1.00 0.00 N ATOM 743 CA PRO A 561 -2.032 -5.470 -11.736 1.00 0.00 C ATOM 744 C PRO A 561 -0.560 -5.548 -11.337 1.00 0.00 C ATOM 745 O PRO A 561 -0.107 -6.559 -10.827 1.00 0.00 O ATOM 746 CB PRO A 561 -2.378 -6.499 -12.808 1.00 0.00 C ATOM 747 CG PRO A 561 -2.415 -5.764 -14.137 1.00 0.00 C ATOM 748 CD PRO A 561 -2.650 -4.287 -13.802 1.00 0.00 C ATOM 0 HA PRO A 561 -2.560 -5.627 -10.795 1.00 0.00 H new ATOM 0 HB2 PRO A 561 -1.636 -7.297 -12.830 1.00 0.00 H new ATOM 0 HB3 PRO A 561 -3.341 -6.965 -12.598 1.00 0.00 H new ATOM 0 HG2 PRO A 561 -1.480 -5.896 -14.681 1.00 0.00 H new ATOM 0 HG3 PRO A 561 -3.211 -6.150 -14.774 1.00 0.00 H new ATOM 0 HD2 PRO A 561 -1.976 -3.642 -14.366 1.00 0.00 H new ATOM 0 HD3 PRO A 561 -3.666 -3.982 -14.051 1.00 0.00 H new ATOM 756 N LEU A 562 0.184 -4.498 -11.503 1.00 0.00 N ATOM 757 CA LEU A 562 1.601 -4.550 -11.064 1.00 0.00 C ATOM 758 C LEU A 562 1.636 -3.858 -9.740 1.00 0.00 C ATOM 759 O LEU A 562 2.342 -4.239 -8.846 1.00 0.00 O ATOM 760 CB LEU A 562 2.559 -3.838 -12.037 1.00 0.00 C ATOM 761 CG LEU A 562 3.999 -4.318 -11.811 1.00 0.00 C ATOM 762 CD1 LEU A 562 4.634 -3.488 -10.687 1.00 0.00 C ATOM 763 CD2 LEU A 562 4.004 -5.815 -11.445 1.00 0.00 C ATOM 0 H LEU A 562 -0.120 -3.617 -11.917 1.00 0.00 H new ATOM 0 HA LEU A 562 1.935 -5.587 -11.019 1.00 0.00 H new ATOM 0 HB2 LEU A 562 2.259 -4.038 -13.066 1.00 0.00 H new ATOM 0 HB3 LEU A 562 2.501 -2.759 -11.892 1.00 0.00 H new ATOM 0 HG LEU A 562 4.578 -4.187 -12.725 1.00 0.00 H new ATOM 0 HD11 LEU A 562 5.658 -3.824 -10.521 1.00 0.00 H new ATOM 0 HD12 LEU A 562 4.639 -2.435 -10.970 1.00 0.00 H new ATOM 0 HD13 LEU A 562 4.057 -3.615 -9.771 1.00 0.00 H new ATOM 0 HD21 LEU A 562 5.030 -6.147 -11.286 1.00 0.00 H new ATOM 0 HD22 LEU A 562 3.428 -5.968 -10.533 1.00 0.00 H new ATOM 0 HD23 LEU A 562 3.558 -6.390 -12.257 1.00 0.00 H new ATOM 775 N TRP A 563 0.804 -2.876 -9.612 1.00 0.00 N ATOM 776 CA TRP A 563 0.674 -2.149 -8.346 1.00 0.00 C ATOM 777 C TRP A 563 2.005 -1.585 -7.830 1.00 0.00 C ATOM 778 O TRP A 563 2.952 -2.290 -7.572 1.00 0.00 O ATOM 779 CB TRP A 563 0.130 -3.110 -7.323 1.00 0.00 C ATOM 780 CG TRP A 563 -0.858 -4.076 -7.940 1.00 0.00 C ATOM 781 CD1 TRP A 563 -0.553 -5.322 -8.407 1.00 0.00 C ATOM 782 CD2 TRP A 563 -2.288 -3.905 -8.189 1.00 0.00 C ATOM 783 NE1 TRP A 563 -1.704 -5.956 -8.811 1.00 0.00 N ATOM 784 CE2 TRP A 563 -2.795 -5.119 -8.715 1.00 0.00 C ATOM 785 CE3 TRP A 563 -3.201 -2.845 -7.997 1.00 0.00 C ATOM 786 CZ2 TRP A 563 -4.136 -5.272 -9.023 1.00 0.00 C ATOM 787 CZ3 TRP A 563 -4.552 -3.006 -8.322 1.00 0.00 C ATOM 788 CH2 TRP A 563 -5.020 -4.217 -8.829 1.00 0.00 C ATOM 0 H TRP A 563 0.194 -2.542 -10.358 1.00 0.00 H new ATOM 0 HA TRP A 563 0.014 -1.298 -8.515 1.00 0.00 H new ATOM 0 HB2 TRP A 563 0.952 -3.667 -6.872 1.00 0.00 H new ATOM 0 HB3 TRP A 563 -0.356 -2.553 -6.522 1.00 0.00 H new ATOM 0 HD1 TRP A 563 0.440 -5.745 -8.452 1.00 0.00 H new ATOM 0 HE1 TRP A 563 -1.745 -6.921 -9.139 1.00 0.00 H new ATOM 0 HE3 TRP A 563 -2.854 -1.904 -7.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 563 -4.496 -6.212 -9.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 563 -5.239 -2.185 -8.179 1.00 0.00 H new ATOM 0 HH2 TRP A 563 -6.066 -4.335 -9.070 1.00 0.00 H new ATOM 799 N TYR A 564 2.042 -0.310 -7.613 1.00 0.00 N ATOM 800 CA TYR A 564 3.255 0.340 -7.041 1.00 0.00 C ATOM 801 C TYR A 564 2.705 1.462 -6.175 1.00 0.00 C ATOM 802 O TYR A 564 1.542 1.408 -5.846 1.00 0.00 O ATOM 803 CB TYR A 564 4.135 0.880 -8.172 1.00 0.00 C ATOM 804 CG TYR A 564 3.249 1.512 -9.208 1.00 0.00 C ATOM 805 CD1 TYR A 564 2.053 2.085 -8.806 1.00 0.00 C ATOM 806 CD2 TYR A 564 3.624 1.547 -10.548 1.00 0.00 C ATOM 807 CE1 TYR A 564 1.212 2.684 -9.700 1.00 0.00 C ATOM 808 CE2 TYR A 564 2.782 2.173 -11.480 1.00 0.00 C ATOM 809 CZ TYR A 564 1.560 2.743 -11.050 1.00 0.00 C ATOM 810 OH TYR A 564 0.718 3.375 -11.942 1.00 0.00 O ATOM 0 H TYR A 564 1.271 0.328 -7.810 1.00 0.00 H new ATOM 0 HA TYR A 564 3.881 -0.342 -6.465 1.00 0.00 H new ATOM 0 HB2 TYR A 564 4.844 1.611 -7.784 1.00 0.00 H new ATOM 0 HB3 TYR A 564 4.719 0.073 -8.615 1.00 0.00 H new ATOM 0 HD1 TYR A 564 1.780 2.057 -7.762 1.00 0.00 H new ATOM 0 HD2 TYR A 564 4.553 1.097 -10.867 1.00 0.00 H new ATOM 0 HE1 TYR A 564 0.279 3.111 -9.363 1.00 0.00 H new ATOM 0 HE2 TYR A 564 3.065 2.220 -12.521 1.00 0.00 H new ATOM 0 HH TYR A 564 1.192 4.119 -12.368 1.00 0.00 H new ATOM 820 N VAL A 565 3.442 2.491 -5.839 1.00 0.00 N ATOM 821 CA VAL A 565 2.794 3.585 -5.039 1.00 0.00 C ATOM 822 C VAL A 565 3.800 4.594 -4.499 1.00 0.00 C ATOM 823 O VAL A 565 4.972 4.329 -4.324 1.00 0.00 O ATOM 824 CB VAL A 565 1.982 2.988 -3.872 1.00 0.00 C ATOM 825 CG1 VAL A 565 2.722 1.792 -3.275 1.00 0.00 C ATOM 826 CG2 VAL A 565 1.740 4.036 -2.777 1.00 0.00 C ATOM 0 H VAL A 565 4.426 2.624 -6.071 1.00 0.00 H new ATOM 0 HA VAL A 565 2.130 4.118 -5.719 1.00 0.00 H new ATOM 0 HB VAL A 565 1.018 2.664 -4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 565 2.140 1.378 -2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 565 2.859 1.030 -4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 565 3.695 2.114 -2.905 1.00 0.00 H new ATOM 0 HG21 VAL A 565 1.165 3.589 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 565 2.697 4.388 -2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 565 1.185 4.877 -3.194 1.00 0.00 H new ATOM 836 N THR A 566 3.287 5.755 -4.211 1.00 0.00 N ATOM 837 CA THR A 566 4.109 6.861 -3.635 1.00 0.00 C ATOM 838 C THR A 566 3.162 7.838 -2.928 1.00 0.00 C ATOM 839 O THR A 566 2.666 8.773 -3.523 1.00 0.00 O ATOM 840 CB THR A 566 4.861 7.594 -4.749 1.00 0.00 C ATOM 841 OG1 THR A 566 5.767 6.697 -5.376 1.00 0.00 O ATOM 842 CG2 THR A 566 5.634 8.773 -4.151 1.00 0.00 C ATOM 0 H THR A 566 2.305 5.993 -4.354 1.00 0.00 H new ATOM 0 HA THR A 566 4.838 6.457 -2.933 1.00 0.00 H new ATOM 0 HB THR A 566 4.150 7.965 -5.487 1.00 0.00 H new ATOM 0 HG1 THR A 566 5.682 5.809 -4.970 1.00 0.00 H new ATOM 0 HG21 THR A 566 6.170 9.296 -4.943 1.00 0.00 H new ATOM 0 HG22 THR A 566 4.937 9.459 -3.671 1.00 0.00 H new ATOM 0 HG23 THR A 566 6.346 8.404 -3.413 1.00 0.00 H new ATOM 850 N VAL A 567 2.889 7.617 -1.667 1.00 0.00 N ATOM 851 CA VAL A 567 1.951 8.524 -0.937 1.00 0.00 C ATOM 852 C VAL A 567 2.647 9.126 0.288 1.00 0.00 C ATOM 853 O VAL A 567 3.790 8.830 0.570 1.00 0.00 O ATOM 854 CB VAL A 567 0.728 7.716 -0.495 1.00 0.00 C ATOM 855 CG1 VAL A 567 -0.430 8.660 -0.161 1.00 0.00 C ATOM 856 CG2 VAL A 567 0.306 6.788 -1.633 1.00 0.00 C ATOM 0 H VAL A 567 3.273 6.851 -1.113 1.00 0.00 H new ATOM 0 HA VAL A 567 1.641 9.336 -1.594 1.00 0.00 H new ATOM 0 HB VAL A 567 0.982 7.133 0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 567 -1.296 8.077 0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 567 -0.132 9.330 0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 567 -0.687 9.246 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 567 -0.565 6.209 -1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 567 0.056 7.381 -2.512 1.00 0.00 H new ATOM 0 HG23 VAL A 567 1.126 6.111 -1.873 1.00 0.00 H new ATOM 866 N THR A 568 1.969 9.984 1.011 1.00 0.00 N ATOM 867 CA THR A 568 2.601 10.617 2.204 1.00 0.00 C ATOM 868 C THR A 568 1.883 10.191 3.491 1.00 0.00 C ATOM 869 O THR A 568 0.811 9.621 3.468 1.00 0.00 O ATOM 870 CB THR A 568 2.526 12.139 2.066 1.00 0.00 C ATOM 871 OG1 THR A 568 1.359 12.490 1.336 1.00 0.00 O ATOM 872 CG2 THR A 568 3.764 12.649 1.328 1.00 0.00 C ATOM 0 H THR A 568 1.008 10.271 0.825 1.00 0.00 H new ATOM 0 HA THR A 568 3.640 10.294 2.261 1.00 0.00 H new ATOM 0 HB THR A 568 2.485 12.592 3.057 1.00 0.00 H new ATOM 0 HG1 THR A 568 1.309 13.465 1.248 1.00 0.00 H new ATOM 0 HG21 THR A 568 3.709 13.733 1.231 1.00 0.00 H new ATOM 0 HG22 THR A 568 4.659 12.380 1.889 1.00 0.00 H new ATOM 0 HG23 THR A 568 3.808 12.198 0.337 1.00 0.00 H new ATOM 880 N LEU A 569 2.484 10.485 4.614 1.00 0.00 N ATOM 881 CA LEU A 569 1.883 10.134 5.933 1.00 0.00 C ATOM 882 C LEU A 569 2.559 11.012 6.999 1.00 0.00 C ATOM 883 O LEU A 569 3.630 10.689 7.472 1.00 0.00 O ATOM 884 CB LEU A 569 2.128 8.646 6.233 1.00 0.00 C ATOM 885 CG LEU A 569 1.084 8.158 7.245 1.00 0.00 C ATOM 886 CD1 LEU A 569 1.022 6.620 7.255 1.00 0.00 C ATOM 887 CD2 LEU A 569 1.472 8.656 8.632 1.00 0.00 C ATOM 0 H LEU A 569 3.383 10.963 4.673 1.00 0.00 H new ATOM 0 HA LEU A 569 0.807 10.307 5.929 1.00 0.00 H new ATOM 0 HB2 LEU A 569 2.063 8.062 5.315 1.00 0.00 H new ATOM 0 HB3 LEU A 569 3.133 8.503 6.631 1.00 0.00 H new ATOM 0 HG LEU A 569 0.105 8.546 6.964 1.00 0.00 H new ATOM 0 HD11 LEU A 569 0.276 6.291 7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 569 0.749 6.260 6.263 1.00 0.00 H new ATOM 0 HD13 LEU A 569 1.997 6.218 7.531 1.00 0.00 H new ATOM 0 HD21 LEU A 569 0.736 8.315 9.360 1.00 0.00 H new ATOM 0 HD22 LEU A 569 2.454 8.264 8.898 1.00 0.00 H new ATOM 0 HD23 LEU A 569 1.504 9.746 8.632 1.00 0.00 H new ATOM 899 N PRO A 570 1.931 12.123 7.309 1.00 0.00 N ATOM 900 CA PRO A 570 2.471 13.103 8.276 1.00 0.00 C ATOM 901 C PRO A 570 2.315 12.651 9.730 1.00 0.00 C ATOM 902 O PRO A 570 1.312 12.898 10.370 1.00 0.00 O ATOM 903 CB PRO A 570 1.649 14.365 8.004 1.00 0.00 C ATOM 904 CG PRO A 570 0.342 13.897 7.326 1.00 0.00 C ATOM 905 CD PRO A 570 0.627 12.504 6.731 1.00 0.00 C ATOM 0 HA PRO A 570 3.544 13.246 8.150 1.00 0.00 H new ATOM 0 HB2 PRO A 570 1.436 14.897 8.931 1.00 0.00 H new ATOM 0 HB3 PRO A 570 2.196 15.053 7.360 1.00 0.00 H new ATOM 0 HG2 PRO A 570 -0.473 13.850 8.048 1.00 0.00 H new ATOM 0 HG3 PRO A 570 0.038 14.596 6.547 1.00 0.00 H new ATOM 0 HD2 PRO A 570 -0.151 11.790 6.999 1.00 0.00 H new ATOM 0 HD3 PRO A 570 0.668 12.537 5.642 1.00 0.00 H new ATOM 913 N ALA A 571 3.325 12.019 10.260 1.00 0.00 N ATOM 914 CA ALA A 571 3.284 11.572 11.680 1.00 0.00 C ATOM 915 C ALA A 571 4.724 11.280 12.134 1.00 0.00 C ATOM 916 O ALA A 571 5.669 11.659 11.472 1.00 0.00 O ATOM 917 CB ALA A 571 2.406 10.325 11.803 1.00 0.00 C ATOM 0 H ALA A 571 4.187 11.791 9.764 1.00 0.00 H new ATOM 0 HA ALA A 571 2.855 12.347 12.315 1.00 0.00 H new ATOM 0 HB1 ALA A 571 2.378 10.001 12.843 1.00 0.00 H new ATOM 0 HB2 ALA A 571 1.395 10.557 11.468 1.00 0.00 H new ATOM 0 HB3 ALA A 571 2.818 9.527 11.185 1.00 0.00 H new ATOM 923 N GLY A 572 4.914 10.616 13.246 1.00 0.00 N ATOM 924 CA GLY A 572 6.312 10.326 13.699 1.00 0.00 C ATOM 925 C GLY A 572 6.317 9.157 14.692 1.00 0.00 C ATOM 926 O GLY A 572 6.535 9.337 15.873 1.00 0.00 O ATOM 0 H GLY A 572 4.174 10.265 13.854 1.00 0.00 H new ATOM 0 HA2 GLY A 572 6.938 10.085 12.840 1.00 0.00 H new ATOM 0 HA3 GLY A 572 6.741 11.212 14.167 1.00 0.00 H new ATOM 930 N GLU A 573 6.082 7.959 14.221 1.00 0.00 N ATOM 931 CA GLU A 573 6.076 6.775 15.139 1.00 0.00 C ATOM 932 C GLU A 573 6.207 5.477 14.327 1.00 0.00 C ATOM 933 O GLU A 573 6.689 5.469 13.210 1.00 0.00 O ATOM 934 CB GLU A 573 4.762 6.720 15.938 1.00 0.00 C ATOM 935 CG GLU A 573 4.059 8.082 15.924 1.00 0.00 C ATOM 936 CD GLU A 573 2.603 7.907 16.360 1.00 0.00 C ATOM 937 OE1 GLU A 573 2.082 6.817 16.194 1.00 0.00 O ATOM 938 OE2 GLU A 573 2.034 8.867 16.853 1.00 0.00 O ATOM 0 H GLU A 573 5.894 7.747 13.241 1.00 0.00 H new ATOM 0 HA GLU A 573 6.918 6.874 15.824 1.00 0.00 H new ATOM 0 HB2 GLU A 573 4.104 5.962 15.513 1.00 0.00 H new ATOM 0 HB3 GLU A 573 4.968 6.423 16.966 1.00 0.00 H new ATOM 0 HG2 GLU A 573 4.570 8.774 16.593 1.00 0.00 H new ATOM 0 HG3 GLU A 573 4.101 8.515 14.925 1.00 0.00 H new ATOM 945 N SER A 574 5.752 4.382 14.888 1.00 0.00 N ATOM 946 CA SER A 574 5.808 3.070 14.174 1.00 0.00 C ATOM 947 C SER A 574 4.461 2.826 13.502 1.00 0.00 C ATOM 948 O SER A 574 3.528 2.324 14.097 1.00 0.00 O ATOM 949 CB SER A 574 6.093 1.950 15.176 1.00 0.00 C ATOM 950 OG SER A 574 5.947 2.454 16.497 1.00 0.00 O ATOM 0 H SER A 574 5.340 4.343 15.820 1.00 0.00 H new ATOM 0 HA SER A 574 6.601 3.086 13.427 1.00 0.00 H new ATOM 0 HB2 SER A 574 5.408 1.118 15.014 1.00 0.00 H new ATOM 0 HB3 SER A 574 7.102 1.564 15.031 1.00 0.00 H new ATOM 0 HG SER A 574 6.127 1.738 17.142 1.00 0.00 H new ATOM 956 N PHE A 575 4.365 3.195 12.264 1.00 0.00 N ATOM 957 CA PHE A 575 3.105 3.022 11.506 1.00 0.00 C ATOM 958 C PHE A 575 3.082 1.563 11.049 1.00 0.00 C ATOM 959 O PHE A 575 4.086 1.043 10.585 1.00 0.00 O ATOM 960 CB PHE A 575 3.143 3.973 10.304 1.00 0.00 C ATOM 961 CG PHE A 575 3.396 5.405 10.777 1.00 0.00 C ATOM 962 CD1 PHE A 575 3.645 5.685 12.135 1.00 0.00 C ATOM 963 CD2 PHE A 575 3.438 6.452 9.848 1.00 0.00 C ATOM 964 CE1 PHE A 575 3.944 6.981 12.543 1.00 0.00 C ATOM 965 CE2 PHE A 575 3.725 7.755 10.268 1.00 0.00 C ATOM 966 CZ PHE A 575 3.988 8.014 11.613 1.00 0.00 C ATOM 0 H PHE A 575 5.125 3.620 11.733 1.00 0.00 H new ATOM 0 HA PHE A 575 2.216 3.246 12.096 1.00 0.00 H new ATOM 0 HB2 PHE A 575 3.927 3.666 9.612 1.00 0.00 H new ATOM 0 HB3 PHE A 575 2.200 3.922 9.760 1.00 0.00 H new ATOM 0 HD1 PHE A 575 3.604 4.889 12.864 1.00 0.00 H new ATOM 0 HD2 PHE A 575 3.248 6.253 8.804 1.00 0.00 H new ATOM 0 HE1 PHE A 575 4.142 7.185 13.585 1.00 0.00 H new ATOM 0 HE2 PHE A 575 3.743 8.561 9.550 1.00 0.00 H new ATOM 0 HZ PHE A 575 4.226 9.018 11.933 1.00 0.00 H new ATOM 976 N GLU A 576 1.976 0.888 11.183 1.00 0.00 N ATOM 977 CA GLU A 576 1.947 -0.547 10.766 1.00 0.00 C ATOM 978 C GLU A 576 1.862 -0.606 9.259 1.00 0.00 C ATOM 979 O GLU A 576 1.622 0.391 8.605 1.00 0.00 O ATOM 980 CB GLU A 576 0.756 -1.277 11.383 1.00 0.00 C ATOM 981 CG GLU A 576 0.885 -1.258 12.909 1.00 0.00 C ATOM 982 CD GLU A 576 1.939 -2.278 13.345 1.00 0.00 C ATOM 983 OE1 GLU A 576 3.077 -2.139 12.930 1.00 0.00 O ATOM 984 OE2 GLU A 576 1.589 -3.181 14.088 1.00 0.00 O ATOM 0 H GLU A 576 1.102 1.257 11.557 1.00 0.00 H new ATOM 0 HA GLU A 576 2.855 -1.039 11.116 1.00 0.00 H new ATOM 0 HB2 GLU A 576 -0.175 -0.799 11.079 1.00 0.00 H new ATOM 0 HB3 GLU A 576 0.719 -2.305 11.023 1.00 0.00 H new ATOM 0 HG2 GLU A 576 1.166 -0.261 13.248 1.00 0.00 H new ATOM 0 HG3 GLU A 576 -0.075 -1.492 13.369 1.00 0.00 H new ATOM 991 N TYR A 577 2.086 -1.748 8.687 1.00 0.00 N ATOM 992 CA TYR A 577 2.034 -1.818 7.216 1.00 0.00 C ATOM 993 C TYR A 577 1.485 -3.161 6.761 1.00 0.00 C ATOM 994 O TYR A 577 2.211 -4.099 6.498 1.00 0.00 O ATOM 995 CB TYR A 577 3.431 -1.577 6.651 1.00 0.00 C ATOM 996 CG TYR A 577 3.705 -0.093 6.696 1.00 0.00 C ATOM 997 CD1 TYR A 577 4.181 0.502 7.873 1.00 0.00 C ATOM 998 CD2 TYR A 577 3.461 0.696 5.565 1.00 0.00 C ATOM 999 CE1 TYR A 577 4.411 1.878 7.914 1.00 0.00 C ATOM 1000 CE2 TYR A 577 3.696 2.074 5.608 1.00 0.00 C ATOM 1001 CZ TYR A 577 4.170 2.665 6.784 1.00 0.00 C ATOM 1002 OH TYR A 577 4.398 4.026 6.828 1.00 0.00 O ATOM 0 H TYR A 577 2.299 -2.622 9.168 1.00 0.00 H new ATOM 0 HA TYR A 577 1.362 -1.046 6.841 1.00 0.00 H new ATOM 0 HB2 TYR A 577 4.176 -2.119 7.233 1.00 0.00 H new ATOM 0 HB3 TYR A 577 3.496 -1.945 5.627 1.00 0.00 H new ATOM 0 HD1 TYR A 577 4.369 -0.104 8.747 1.00 0.00 H new ATOM 0 HD2 TYR A 577 3.091 0.240 4.659 1.00 0.00 H new ATOM 0 HE1 TYR A 577 4.776 2.336 8.821 1.00 0.00 H new ATOM 0 HE2 TYR A 577 3.512 2.681 4.734 1.00 0.00 H new ATOM 0 HH TYR A 577 4.181 4.422 5.958 1.00 0.00 H new ATOM 1012 N LYS A 578 0.196 -3.227 6.629 1.00 0.00 N ATOM 1013 CA LYS A 578 -0.458 -4.457 6.148 1.00 0.00 C ATOM 1014 C LYS A 578 -0.817 -4.192 4.698 1.00 0.00 C ATOM 1015 O LYS A 578 -1.015 -3.052 4.302 1.00 0.00 O ATOM 1016 CB LYS A 578 -1.722 -4.739 6.964 1.00 0.00 C ATOM 1017 CG LYS A 578 -1.696 -6.183 7.466 1.00 0.00 C ATOM 1018 CD LYS A 578 -0.583 -6.344 8.503 1.00 0.00 C ATOM 1019 CE LYS A 578 -0.859 -7.580 9.362 1.00 0.00 C ATOM 1020 NZ LYS A 578 -0.732 -8.805 8.523 1.00 0.00 N ATOM 0 H LYS A 578 -0.442 -2.460 6.840 1.00 0.00 H new ATOM 0 HA LYS A 578 0.193 -5.325 6.249 1.00 0.00 H new ATOM 0 HB2 LYS A 578 -1.784 -4.051 7.807 1.00 0.00 H new ATOM 0 HB3 LYS A 578 -2.608 -4.572 6.351 1.00 0.00 H new ATOM 0 HG2 LYS A 578 -2.658 -6.443 7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 578 -1.532 -6.866 6.632 1.00 0.00 H new ATOM 0 HD2 LYS A 578 0.381 -6.443 8.004 1.00 0.00 H new ATOM 0 HD3 LYS A 578 -0.527 -5.456 9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 578 -0.157 -7.622 10.195 1.00 0.00 H new ATOM 0 HE3 LYS A 578 -1.859 -7.522 9.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 578 -0.802 -9.648 9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 578 -1.494 -8.822 7.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 578 0.189 -8.801 8.040 1.00 0.00 H new ATOM 1034 N PHE A 579 -0.903 -5.201 3.895 1.00 0.00 N ATOM 1035 CA PHE A 579 -1.234 -4.937 2.477 1.00 0.00 C ATOM 1036 C PHE A 579 -2.613 -5.456 2.158 1.00 0.00 C ATOM 1037 O PHE A 579 -3.053 -6.473 2.652 1.00 0.00 O ATOM 1038 CB PHE A 579 -0.195 -5.545 1.531 1.00 0.00 C ATOM 1039 CG PHE A 579 -0.539 -5.017 0.191 1.00 0.00 C ATOM 1040 CD1 PHE A 579 -1.655 -5.529 -0.446 1.00 0.00 C ATOM 1041 CD2 PHE A 579 0.188 -3.970 -0.374 1.00 0.00 C ATOM 1042 CE1 PHE A 579 -2.068 -4.999 -1.642 1.00 0.00 C ATOM 1043 CE2 PHE A 579 -0.216 -3.443 -1.597 1.00 0.00 C ATOM 1044 CZ PHE A 579 -1.356 -3.958 -2.222 1.00 0.00 C ATOM 0 H PHE A 579 -0.762 -6.179 4.149 1.00 0.00 H new ATOM 0 HA PHE A 579 -1.219 -3.858 2.326 1.00 0.00 H new ATOM 0 HB2 PHE A 579 0.816 -5.259 1.820 1.00 0.00 H new ATOM 0 HB3 PHE A 579 -0.236 -6.634 1.548 1.00 0.00 H new ATOM 0 HD1 PHE A 579 -2.202 -6.347 -0.001 1.00 0.00 H new ATOM 0 HD2 PHE A 579 1.055 -3.572 0.132 1.00 0.00 H new ATOM 0 HE1 PHE A 579 -2.947 -5.391 -2.132 1.00 0.00 H new ATOM 0 HE2 PHE A 579 0.345 -2.644 -2.059 1.00 0.00 H new ATOM 0 HZ PHE A 579 -1.685 -3.543 -3.163 1.00 0.00 H new ATOM 1054 N ILE A 580 -3.305 -4.718 1.344 1.00 0.00 N ATOM 1055 CA ILE A 580 -4.679 -5.089 0.981 1.00 0.00 C ATOM 1056 C ILE A 580 -4.896 -4.958 -0.525 1.00 0.00 C ATOM 1057 O ILE A 580 -4.431 -4.035 -1.145 1.00 0.00 O ATOM 1058 CB ILE A 580 -5.596 -4.119 1.712 1.00 0.00 C ATOM 1059 CG1 ILE A 580 -5.494 -2.760 1.021 1.00 0.00 C ATOM 1060 CG2 ILE A 580 -5.153 -3.997 3.178 1.00 0.00 C ATOM 1061 CD1 ILE A 580 -5.639 -1.617 2.015 1.00 0.00 C ATOM 0 H ILE A 580 -2.964 -3.860 0.911 1.00 0.00 H new ATOM 0 HA ILE A 580 -4.881 -6.124 1.255 1.00 0.00 H new ATOM 0 HB ILE A 580 -6.626 -4.475 1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 580 -4.534 -2.681 0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 580 -6.268 -2.680 0.257 1.00 0.00 H new ATOM 0 HG21 ILE A 580 -5.811 -3.302 3.700 1.00 0.00 H new ATOM 0 HG22 ILE A 580 -5.205 -4.975 3.656 1.00 0.00 H new ATOM 0 HG23 ILE A 580 -4.128 -3.627 3.219 1.00 0.00 H new ATOM 0 HD11 ILE A 580 -5.561 -0.665 1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 580 -6.610 -1.682 2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 580 -4.849 -1.683 2.763 1.00 0.00 H new ATOM 1073 N ARG A 581 -5.629 -5.859 -1.110 1.00 0.00 N ATOM 1074 CA ARG A 581 -5.903 -5.753 -2.568 1.00 0.00 C ATOM 1075 C ARG A 581 -7.370 -5.381 -2.742 1.00 0.00 C ATOM 1076 O ARG A 581 -8.248 -6.204 -2.587 1.00 0.00 O ATOM 1077 CB ARG A 581 -5.600 -7.090 -3.250 1.00 0.00 C ATOM 1078 CG ARG A 581 -6.058 -7.042 -4.708 1.00 0.00 C ATOM 1079 CD ARG A 581 -5.704 -8.361 -5.401 1.00 0.00 C ATOM 1080 NE ARG A 581 -4.449 -8.914 -4.818 1.00 0.00 N ATOM 1081 CZ ARG A 581 -4.482 -10.024 -4.131 1.00 0.00 C ATOM 1082 NH1 ARG A 581 -5.542 -10.328 -3.433 1.00 0.00 N ATOM 1083 NH2 ARG A 581 -3.456 -10.830 -4.143 1.00 0.00 N ATOM 0 H ARG A 581 -6.050 -6.663 -0.644 1.00 0.00 H new ATOM 0 HA ARG A 581 -5.271 -4.992 -3.025 1.00 0.00 H new ATOM 0 HB2 ARG A 581 -4.531 -7.300 -3.201 1.00 0.00 H new ATOM 0 HB3 ARG A 581 -6.108 -7.900 -2.726 1.00 0.00 H new ATOM 0 HG2 ARG A 581 -7.133 -6.871 -4.757 1.00 0.00 H new ATOM 0 HG3 ARG A 581 -5.579 -6.209 -5.223 1.00 0.00 H new ATOM 0 HD2 ARG A 581 -6.518 -9.076 -5.281 1.00 0.00 H new ATOM 0 HD3 ARG A 581 -5.578 -8.198 -6.471 1.00 0.00 H new ATOM 0 HE ARG A 581 -3.564 -8.425 -4.956 1.00 0.00 H new ATOM 0 HH11 ARG A 581 -6.345 -9.699 -3.424 1.00 0.00 H new ATOM 0 HH12 ARG A 581 -5.568 -11.195 -2.896 1.00 0.00 H new ATOM 0 HH21 ARG A 581 -2.628 -10.593 -4.689 1.00 0.00 H new ATOM 0 HH22 ARG A 581 -3.482 -11.697 -3.606 1.00 0.00 H new ATOM 1097 N ILE A 582 -7.645 -4.128 -3.002 1.00 0.00 N ATOM 1098 CA ILE A 582 -9.072 -3.686 -3.103 1.00 0.00 C ATOM 1099 C ILE A 582 -9.743 -4.025 -4.456 1.00 0.00 C ATOM 1100 O ILE A 582 -9.165 -3.920 -5.511 1.00 0.00 O ATOM 1101 CB ILE A 582 -9.133 -2.166 -2.819 1.00 0.00 C ATOM 1102 CG1 ILE A 582 -10.170 -1.925 -1.736 1.00 0.00 C ATOM 1103 CG2 ILE A 582 -9.553 -1.373 -4.062 1.00 0.00 C ATOM 1104 CD1 ILE A 582 -11.489 -2.484 -2.241 1.00 0.00 C ATOM 0 H ILE A 582 -6.950 -3.396 -3.148 1.00 0.00 H new ATOM 0 HA ILE A 582 -9.644 -4.243 -2.361 1.00 0.00 H new ATOM 0 HB ILE A 582 -8.140 -1.835 -2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 582 -9.876 -2.414 -0.807 1.00 0.00 H new ATOM 0 HG13 ILE A 582 -10.261 -0.860 -1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 582 -9.584 -0.310 -3.822 1.00 0.00 H new ATOM 0 HG22 ILE A 582 -8.833 -1.543 -4.863 1.00 0.00 H new ATOM 0 HG23 ILE A 582 -10.541 -1.701 -4.386 1.00 0.00 H new ATOM 0 HD11 ILE A 582 -12.262 -2.329 -1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 582 -11.772 -1.973 -3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 582 -11.381 -3.551 -2.436 1.00 0.00 H new ATOM 1116 N GLU A 583 -11.008 -4.375 -4.388 1.00 0.00 N ATOM 1117 CA GLU A 583 -11.844 -4.666 -5.601 1.00 0.00 C ATOM 1118 C GLU A 583 -11.307 -5.792 -6.500 1.00 0.00 C ATOM 1119 O GLU A 583 -11.962 -6.154 -7.460 1.00 0.00 O ATOM 1120 CB GLU A 583 -11.955 -3.390 -6.433 1.00 0.00 C ATOM 1121 CG GLU A 583 -12.850 -3.653 -7.646 1.00 0.00 C ATOM 1122 CD GLU A 583 -13.772 -2.454 -7.872 1.00 0.00 C ATOM 1123 OE1 GLU A 583 -13.335 -1.506 -8.503 1.00 0.00 O ATOM 1124 OE2 GLU A 583 -14.900 -2.505 -7.411 1.00 0.00 O ATOM 0 H GLU A 583 -11.514 -4.474 -3.508 1.00 0.00 H new ATOM 0 HA GLU A 583 -12.809 -5.010 -5.229 1.00 0.00 H new ATOM 0 HB2 GLU A 583 -12.370 -2.583 -5.829 1.00 0.00 H new ATOM 0 HB3 GLU A 583 -10.966 -3.068 -6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 583 -12.238 -3.826 -8.531 1.00 0.00 H new ATOM 0 HG3 GLU A 583 -13.441 -4.554 -7.486 1.00 0.00 H new ATOM 1131 N SER A 584 -10.157 -6.352 -6.249 1.00 0.00 N ATOM 1132 CA SER A 584 -9.677 -7.427 -7.172 1.00 0.00 C ATOM 1133 C SER A 584 -10.716 -8.549 -7.247 1.00 0.00 C ATOM 1134 O SER A 584 -10.837 -9.229 -8.245 1.00 0.00 O ATOM 1135 CB SER A 584 -8.341 -7.989 -6.697 1.00 0.00 C ATOM 1136 OG SER A 584 -8.550 -8.772 -5.529 1.00 0.00 O ATOM 0 H SER A 584 -9.541 -6.123 -5.469 1.00 0.00 H new ATOM 0 HA SER A 584 -9.538 -6.996 -8.163 1.00 0.00 H new ATOM 0 HB2 SER A 584 -7.890 -8.597 -7.481 1.00 0.00 H new ATOM 0 HB3 SER A 584 -7.646 -7.176 -6.485 1.00 0.00 H new ATOM 0 HG SER A 584 -8.951 -9.631 -5.778 1.00 0.00 H new ATOM 1142 N ASP A 585 -11.465 -8.753 -6.202 1.00 0.00 N ATOM 1143 CA ASP A 585 -12.486 -9.818 -6.203 1.00 0.00 C ATOM 1144 C ASP A 585 -13.837 -9.206 -5.829 1.00 0.00 C ATOM 1145 O ASP A 585 -14.709 -9.028 -6.657 1.00 0.00 O ATOM 1146 CB ASP A 585 -12.103 -10.866 -5.163 1.00 0.00 C ATOM 1147 CG ASP A 585 -11.069 -10.306 -4.180 1.00 0.00 C ATOM 1148 OD1 ASP A 585 -9.889 -10.383 -4.484 1.00 0.00 O ATOM 1149 OD2 ASP A 585 -11.475 -9.810 -3.142 1.00 0.00 O ATOM 0 H ASP A 585 -11.407 -8.215 -5.337 1.00 0.00 H new ATOM 0 HA ASP A 585 -12.550 -10.280 -7.188 1.00 0.00 H new ATOM 0 HB2 ASP A 585 -12.992 -11.187 -4.619 1.00 0.00 H new ATOM 0 HB3 ASP A 585 -11.698 -11.747 -5.660 1.00 0.00 H new ATOM 1154 N ASP A 586 -13.996 -8.868 -4.583 1.00 0.00 N ATOM 1155 CA ASP A 586 -15.266 -8.243 -4.115 1.00 0.00 C ATOM 1156 C ASP A 586 -14.902 -6.966 -3.362 1.00 0.00 C ATOM 1157 O ASP A 586 -15.232 -5.871 -3.773 1.00 0.00 O ATOM 1158 CB ASP A 586 -16.000 -9.205 -3.178 1.00 0.00 C ATOM 1159 CG ASP A 586 -17.352 -9.580 -3.787 1.00 0.00 C ATOM 1160 OD1 ASP A 586 -17.356 -10.302 -4.771 1.00 0.00 O ATOM 1161 OD2 ASP A 586 -18.360 -9.139 -3.260 1.00 0.00 O ATOM 0 H ASP A 586 -13.292 -8.999 -3.857 1.00 0.00 H new ATOM 0 HA ASP A 586 -15.917 -8.018 -4.959 1.00 0.00 H new ATOM 0 HB2 ASP A 586 -15.401 -10.101 -3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 586 -16.145 -8.740 -2.203 1.00 0.00 H new ATOM 1166 N SER A 587 -14.180 -7.102 -2.285 1.00 0.00 N ATOM 1167 CA SER A 587 -13.738 -5.906 -1.523 1.00 0.00 C ATOM 1168 C SER A 587 -12.219 -5.958 -1.434 1.00 0.00 C ATOM 1169 O SER A 587 -11.560 -6.213 -2.423 1.00 0.00 O ATOM 1170 CB SER A 587 -14.338 -5.890 -0.125 1.00 0.00 C ATOM 1171 OG SER A 587 -13.948 -7.066 0.572 1.00 0.00 O ATOM 0 H SER A 587 -13.877 -7.996 -1.899 1.00 0.00 H new ATOM 0 HA SER A 587 -14.072 -5.001 -2.030 1.00 0.00 H new ATOM 0 HB2 SER A 587 -14.002 -5.005 0.416 1.00 0.00 H new ATOM 0 HB3 SER A 587 -15.425 -5.834 -0.185 1.00 0.00 H new ATOM 0 HG SER A 587 -14.333 -7.055 1.473 1.00 0.00 H new ATOM 1177 N VAL A 588 -11.632 -5.730 -0.284 1.00 0.00 N ATOM 1178 CA VAL A 588 -10.149 -5.780 -0.248 1.00 0.00 C ATOM 1179 C VAL A 588 -9.706 -7.154 0.215 1.00 0.00 C ATOM 1180 O VAL A 588 -10.465 -7.930 0.760 1.00 0.00 O ATOM 1181 CB VAL A 588 -9.543 -4.795 0.752 1.00 0.00 C ATOM 1182 CG1 VAL A 588 -8.298 -4.169 0.138 1.00 0.00 C ATOM 1183 CG2 VAL A 588 -10.512 -3.714 1.178 1.00 0.00 C ATOM 0 H VAL A 588 -12.100 -5.519 0.598 1.00 0.00 H new ATOM 0 HA VAL A 588 -9.814 -5.534 -1.256 1.00 0.00 H new ATOM 0 HB VAL A 588 -9.288 -5.354 1.653 1.00 0.00 H new ATOM 0 HG11 VAL A 588 -7.859 -3.465 0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 588 -7.574 -4.950 -0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 588 -8.569 -3.643 -0.778 1.00 0.00 H new ATOM 0 HG21 VAL A 588 -10.023 -3.046 1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 588 -10.830 -3.145 0.304 1.00 0.00 H new ATOM 0 HG23 VAL A 588 -11.382 -4.171 1.649 1.00 0.00 H new ATOM 1193 N GLU A 589 -8.452 -7.415 0.060 1.00 0.00 N ATOM 1194 CA GLU A 589 -7.873 -8.682 0.541 1.00 0.00 C ATOM 1195 C GLU A 589 -6.667 -8.288 1.376 1.00 0.00 C ATOM 1196 O GLU A 589 -5.577 -8.180 0.863 1.00 0.00 O ATOM 1197 CB GLU A 589 -7.413 -9.547 -0.632 1.00 0.00 C ATOM 1198 CG GLU A 589 -6.501 -10.647 -0.097 1.00 0.00 C ATOM 1199 CD GLU A 589 -7.074 -12.017 -0.464 1.00 0.00 C ATOM 1200 OE1 GLU A 589 -7.897 -12.071 -1.363 1.00 0.00 O ATOM 1201 OE2 GLU A 589 -6.680 -12.988 0.160 1.00 0.00 O ATOM 0 H GLU A 589 -7.787 -6.787 -0.392 1.00 0.00 H new ATOM 0 HA GLU A 589 -8.604 -9.258 1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 589 -8.273 -9.983 -1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 589 -6.883 -8.939 -1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 589 -5.500 -10.537 -0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 589 -6.407 -10.560 0.985 1.00 0.00 H new ATOM 1208 N TRP A 590 -6.854 -8.022 2.640 1.00 0.00 N ATOM 1209 CA TRP A 590 -5.700 -7.588 3.470 1.00 0.00 C ATOM 1210 C TRP A 590 -4.768 -8.771 3.701 1.00 0.00 C ATOM 1211 O TRP A 590 -4.817 -9.440 4.714 1.00 0.00 O ATOM 1212 CB TRP A 590 -6.191 -6.997 4.796 1.00 0.00 C ATOM 1213 CG TRP A 590 -6.970 -5.745 4.507 1.00 0.00 C ATOM 1214 CD1 TRP A 590 -7.520 -5.438 3.309 1.00 0.00 C ATOM 1215 CD2 TRP A 590 -7.281 -4.620 5.384 1.00 0.00 C ATOM 1216 NE1 TRP A 590 -8.158 -4.227 3.394 1.00 0.00 N ATOM 1217 CE2 TRP A 590 -8.063 -3.691 4.654 1.00 0.00 C ATOM 1218 CE3 TRP A 590 -6.985 -4.315 6.726 1.00 0.00 C ATOM 1219 CZ2 TRP A 590 -8.533 -2.523 5.230 1.00 0.00 C ATOM 1220 CZ3 TRP A 590 -7.456 -3.117 7.295 1.00 0.00 C ATOM 1221 CH2 TRP A 590 -8.229 -2.239 6.547 1.00 0.00 C ATOM 0 H TRP A 590 -7.747 -8.086 3.128 1.00 0.00 H new ATOM 0 HA TRP A 590 -5.146 -6.809 2.947 1.00 0.00 H new ATOM 0 HB2 TRP A 590 -6.816 -7.718 5.322 1.00 0.00 H new ATOM 0 HB3 TRP A 590 -5.345 -6.774 5.446 1.00 0.00 H new ATOM 0 HD1 TRP A 590 -7.465 -6.052 2.422 1.00 0.00 H new ATOM 0 HE1 TRP A 590 -8.643 -3.780 2.616 1.00 0.00 H new ATOM 0 HE3 TRP A 590 -6.397 -5.000 7.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 590 -9.135 -1.837 4.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 590 -7.215 -2.879 8.320 1.00 0.00 H new ATOM 0 HH2 TRP A 590 -8.595 -1.328 6.998 1.00 0.00 H new ATOM 1232 N GLU A 591 -3.899 -9.008 2.758 1.00 0.00 N ATOM 1233 CA GLU A 591 -2.926 -10.112 2.877 1.00 0.00 C ATOM 1234 C GLU A 591 -1.614 -9.479 3.314 1.00 0.00 C ATOM 1235 O GLU A 591 -1.601 -8.680 4.239 1.00 0.00 O ATOM 1236 CB GLU A 591 -2.770 -10.803 1.521 1.00 0.00 C ATOM 1237 CG GLU A 591 -2.203 -12.209 1.726 1.00 0.00 C ATOM 1238 CD GLU A 591 -3.287 -13.245 1.426 1.00 0.00 C ATOM 1239 OE1 GLU A 591 -4.365 -13.125 1.985 1.00 0.00 O ATOM 1240 OE2 GLU A 591 -3.022 -14.142 0.642 1.00 0.00 O ATOM 0 H GLU A 591 -3.827 -8.468 1.896 1.00 0.00 H new ATOM 0 HA GLU A 591 -3.249 -10.865 3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 591 -3.735 -10.859 1.016 1.00 0.00 H new ATOM 0 HB3 GLU A 591 -2.107 -10.222 0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 591 -1.345 -12.365 1.072 1.00 0.00 H new ATOM 0 HG3 GLU A 591 -1.849 -12.324 2.750 1.00 0.00 H new ATOM 1247 N SER A 592 -0.525 -9.782 2.643 1.00 0.00 N ATOM 1248 CA SER A 592 0.776 -9.153 2.997 1.00 0.00 C ATOM 1249 C SER A 592 1.432 -9.935 4.135 1.00 0.00 C ATOM 1250 O SER A 592 1.526 -9.466 5.252 1.00 0.00 O ATOM 1251 CB SER A 592 0.518 -7.713 3.430 1.00 0.00 C ATOM 1252 OG SER A 592 1.616 -6.891 3.051 1.00 0.00 O ATOM 0 H SER A 592 -0.488 -10.440 1.865 1.00 0.00 H new ATOM 0 HA SER A 592 1.445 -9.163 2.137 1.00 0.00 H new ATOM 0 HB2 SER A 592 -0.399 -7.344 2.971 1.00 0.00 H new ATOM 0 HB3 SER A 592 0.374 -7.669 4.510 1.00 0.00 H new ATOM 0 HG SER A 592 2.418 -7.172 3.539 1.00 0.00 H new ATOM 1258 N ASP A 593 1.888 -11.126 3.858 1.00 0.00 N ATOM 1259 CA ASP A 593 2.540 -11.942 4.918 1.00 0.00 C ATOM 1260 C ASP A 593 3.664 -11.132 5.572 1.00 0.00 C ATOM 1261 O ASP A 593 3.702 -10.996 6.778 1.00 0.00 O ATOM 1262 CB ASP A 593 3.118 -13.217 4.301 1.00 0.00 C ATOM 1263 CG ASP A 593 2.544 -14.439 5.020 1.00 0.00 C ATOM 1264 OD1 ASP A 593 2.067 -14.279 6.131 1.00 0.00 O ATOM 1265 OD2 ASP A 593 2.592 -15.515 4.447 1.00 0.00 O ATOM 0 H ASP A 593 1.836 -11.569 2.941 1.00 0.00 H new ATOM 0 HA ASP A 593 1.801 -12.209 5.674 1.00 0.00 H new ATOM 0 HB2 ASP A 593 2.877 -13.261 3.239 1.00 0.00 H new ATOM 0 HB3 ASP A 593 4.205 -13.212 4.382 1.00 0.00 H new ATOM 1270 N PRO A 594 4.550 -10.618 4.754 1.00 0.00 N ATOM 1271 CA PRO A 594 5.690 -9.815 5.229 1.00 0.00 C ATOM 1272 C PRO A 594 5.238 -8.390 5.567 1.00 0.00 C ATOM 1273 O PRO A 594 5.475 -7.461 4.821 1.00 0.00 O ATOM 1274 CB PRO A 594 6.651 -9.817 4.038 1.00 0.00 C ATOM 1275 CG PRO A 594 5.795 -10.118 2.785 1.00 0.00 C ATOM 1276 CD PRO A 594 4.501 -10.788 3.285 1.00 0.00 C ATOM 0 HA PRO A 594 6.145 -10.211 6.137 1.00 0.00 H new ATOM 0 HB2 PRO A 594 7.153 -8.854 3.943 1.00 0.00 H new ATOM 0 HB3 PRO A 594 7.428 -10.570 4.167 1.00 0.00 H new ATOM 0 HG2 PRO A 594 5.571 -9.201 2.240 1.00 0.00 H new ATOM 0 HG3 PRO A 594 6.330 -10.774 2.099 1.00 0.00 H new ATOM 0 HD2 PRO A 594 3.617 -10.315 2.858 1.00 0.00 H new ATOM 0 HD3 PRO A 594 4.464 -11.841 3.007 1.00 0.00 H new ATOM 1284 N ASN A 595 4.592 -8.211 6.688 1.00 0.00 N ATOM 1285 CA ASN A 595 4.130 -6.848 7.072 1.00 0.00 C ATOM 1286 C ASN A 595 5.344 -5.973 7.392 1.00 0.00 C ATOM 1287 O ASN A 595 6.475 -6.383 7.225 1.00 0.00 O ATOM 1288 CB ASN A 595 3.231 -6.943 8.307 1.00 0.00 C ATOM 1289 CG ASN A 595 3.926 -7.783 9.380 1.00 0.00 C ATOM 1290 OD1 ASN A 595 5.118 -8.007 9.314 1.00 0.00 O ATOM 1291 ND2 ASN A 595 3.227 -8.260 10.373 1.00 0.00 N ATOM 0 H ASN A 595 4.365 -8.950 7.353 1.00 0.00 H new ATOM 0 HA ASN A 595 3.569 -6.407 6.248 1.00 0.00 H new ATOM 0 HB2 ASN A 595 3.018 -5.946 8.692 1.00 0.00 H new ATOM 0 HB3 ASN A 595 2.275 -7.393 8.040 1.00 0.00 H new ATOM 0 HD21 ASN A 595 3.682 -8.821 11.094 1.00 0.00 H new ATOM 0 HD22 ASN A 595 2.226 -8.072 10.429 1.00 0.00 H new ATOM 1298 N ARG A 596 5.122 -4.771 7.852 1.00 0.00 N ATOM 1299 CA ARG A 596 6.272 -3.881 8.178 1.00 0.00 C ATOM 1300 C ARG A 596 5.823 -2.785 9.148 1.00 0.00 C ATOM 1301 O ARG A 596 4.646 -2.559 9.348 1.00 0.00 O ATOM 1302 CB ARG A 596 6.798 -3.237 6.893 1.00 0.00 C ATOM 1303 CG ARG A 596 8.311 -3.441 6.801 1.00 0.00 C ATOM 1304 CD ARG A 596 8.664 -4.043 5.439 1.00 0.00 C ATOM 1305 NE ARG A 596 10.027 -4.643 5.499 1.00 0.00 N ATOM 1306 CZ ARG A 596 10.177 -5.887 5.863 1.00 0.00 C ATOM 1307 NH1 ARG A 596 9.490 -6.827 5.273 1.00 0.00 N ATOM 1308 NH2 ARG A 596 11.013 -6.192 6.817 1.00 0.00 N ATOM 0 H ARG A 596 4.199 -4.369 8.015 1.00 0.00 H new ATOM 0 HA ARG A 596 7.062 -4.471 8.643 1.00 0.00 H new ATOM 0 HB2 ARG A 596 6.308 -3.679 6.025 1.00 0.00 H new ATOM 0 HB3 ARG A 596 6.563 -2.173 6.885 1.00 0.00 H new ATOM 0 HG2 ARG A 596 8.826 -2.489 6.934 1.00 0.00 H new ATOM 0 HG3 ARG A 596 8.649 -4.100 7.600 1.00 0.00 H new ATOM 0 HD2 ARG A 596 7.932 -4.803 5.165 1.00 0.00 H new ATOM 0 HD3 ARG A 596 8.628 -3.273 4.669 1.00 0.00 H new ATOM 0 HE ARG A 596 10.843 -4.081 5.255 1.00 0.00 H new ATOM 0 HH11 ARG A 596 8.836 -6.589 4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 596 9.607 -7.799 5.558 1.00 0.00 H new ATOM 0 HH21 ARG A 596 11.550 -5.458 7.279 1.00 0.00 H new ATOM 0 HH22 ARG A 596 11.130 -7.165 7.101 1.00 0.00 H new ATOM 1322 N GLU A 597 6.758 -2.102 9.749 1.00 0.00 N ATOM 1323 CA GLU A 597 6.402 -1.016 10.707 1.00 0.00 C ATOM 1324 C GLU A 597 7.308 0.188 10.460 1.00 0.00 C ATOM 1325 O GLU A 597 8.277 0.403 11.161 1.00 0.00 O ATOM 1326 CB GLU A 597 6.594 -1.515 12.140 1.00 0.00 C ATOM 1327 CG GLU A 597 7.887 -2.328 12.229 1.00 0.00 C ATOM 1328 CD GLU A 597 7.616 -3.769 11.794 1.00 0.00 C ATOM 1329 OE1 GLU A 597 6.478 -4.197 11.906 1.00 0.00 O ATOM 1330 OE2 GLU A 597 8.549 -4.421 11.356 1.00 0.00 O ATOM 0 H GLU A 597 7.759 -2.250 9.617 1.00 0.00 H new ATOM 0 HA GLU A 597 5.361 -0.727 10.563 1.00 0.00 H new ATOM 0 HB2 GLU A 597 6.635 -0.670 12.828 1.00 0.00 H new ATOM 0 HB3 GLU A 597 5.745 -2.129 12.439 1.00 0.00 H new ATOM 0 HG2 GLU A 597 8.653 -1.883 11.594 1.00 0.00 H new ATOM 0 HG3 GLU A 597 8.270 -2.311 13.249 1.00 0.00 H new ATOM 1337 N TYR A 598 6.996 0.977 9.469 1.00 0.00 N ATOM 1338 CA TYR A 598 7.819 2.165 9.172 1.00 0.00 C ATOM 1339 C TYR A 598 8.040 2.958 10.447 1.00 0.00 C ATOM 1340 O TYR A 598 7.105 3.372 11.092 1.00 0.00 O ATOM 1341 CB TYR A 598 7.056 3.031 8.179 1.00 0.00 C ATOM 1342 CG TYR A 598 7.994 3.953 7.460 1.00 0.00 C ATOM 1343 CD1 TYR A 598 8.366 5.182 8.027 1.00 0.00 C ATOM 1344 CD2 TYR A 598 8.465 3.583 6.204 1.00 0.00 C ATOM 1345 CE1 TYR A 598 9.214 6.043 7.335 1.00 0.00 C ATOM 1346 CE2 TYR A 598 9.322 4.434 5.506 1.00 0.00 C ATOM 1347 CZ TYR A 598 9.700 5.670 6.070 1.00 0.00 C ATOM 1348 OH TYR A 598 10.537 6.520 5.380 1.00 0.00 O ATOM 0 H TYR A 598 6.196 0.841 8.851 1.00 0.00 H new ATOM 0 HA TYR A 598 8.783 1.863 8.761 1.00 0.00 H new ATOM 0 HB2 TYR A 598 6.536 2.398 7.460 1.00 0.00 H new ATOM 0 HB3 TYR A 598 6.296 3.611 8.702 1.00 0.00 H new ATOM 0 HD1 TYR A 598 7.994 5.460 9.002 1.00 0.00 H new ATOM 0 HD2 TYR A 598 8.168 2.639 5.771 1.00 0.00 H new ATOM 0 HE1 TYR A 598 9.496 6.991 7.768 1.00 0.00 H new ATOM 0 HE2 TYR A 598 9.696 4.146 4.534 1.00 0.00 H new ATOM 0 HH TYR A 598 11.061 7.051 6.016 1.00 0.00 H new ATOM 1358 N THR A 599 9.262 3.196 10.806 1.00 0.00 N ATOM 1359 CA THR A 599 9.514 3.999 12.024 1.00 0.00 C ATOM 1360 C THR A 599 9.569 5.457 11.590 1.00 0.00 C ATOM 1361 O THR A 599 10.578 6.117 11.739 1.00 0.00 O ATOM 1362 CB THR A 599 10.849 3.590 12.652 1.00 0.00 C ATOM 1363 OG1 THR A 599 11.724 3.118 11.637 1.00 0.00 O ATOM 1364 CG2 THR A 599 10.613 2.484 13.681 1.00 0.00 C ATOM 0 H THR A 599 10.094 2.872 10.313 1.00 0.00 H new ATOM 0 HA THR A 599 8.730 3.842 12.765 1.00 0.00 H new ATOM 0 HB THR A 599 11.298 4.452 13.146 1.00 0.00 H new ATOM 0 HG1 THR A 599 12.580 2.858 12.038 1.00 0.00 H new ATOM 0 HG21 THR A 599 11.564 2.193 14.127 1.00 0.00 H new ATOM 0 HG22 THR A 599 9.943 2.848 14.460 1.00 0.00 H new ATOM 0 HG23 THR A 599 10.164 1.621 13.190 1.00 0.00 H new ATOM 1372 N VAL A 600 8.497 5.961 11.019 1.00 0.00 N ATOM 1373 CA VAL A 600 8.516 7.367 10.549 1.00 0.00 C ATOM 1374 C VAL A 600 9.036 8.254 11.689 1.00 0.00 C ATOM 1375 O VAL A 600 8.356 8.430 12.683 1.00 0.00 O ATOM 1376 CB VAL A 600 7.114 7.868 10.155 1.00 0.00 C ATOM 1377 CG1 VAL A 600 7.278 9.309 9.798 1.00 0.00 C ATOM 1378 CG2 VAL A 600 6.552 7.189 8.902 1.00 0.00 C ATOM 0 H VAL A 600 7.623 5.458 10.864 1.00 0.00 H new ATOM 0 HA VAL A 600 9.156 7.417 9.668 1.00 0.00 H new ATOM 0 HB VAL A 600 6.437 7.665 10.985 1.00 0.00 H new ATOM 0 HG11 VAL A 600 6.313 9.724 9.508 1.00 0.00 H new ATOM 0 HG12 VAL A 600 7.664 9.855 10.659 1.00 0.00 H new ATOM 0 HG13 VAL A 600 7.977 9.401 8.967 1.00 0.00 H new ATOM 0 HG21 VAL A 600 5.562 7.590 8.683 1.00 0.00 H new ATOM 0 HG22 VAL A 600 7.215 7.378 8.058 1.00 0.00 H new ATOM 0 HG23 VAL A 600 6.478 6.115 9.072 1.00 0.00 H new ATOM 1388 N PRO A 601 10.223 8.785 11.516 1.00 0.00 N ATOM 1389 CA PRO A 601 10.853 9.657 12.523 1.00 0.00 C ATOM 1390 C PRO A 601 10.254 11.065 12.459 1.00 0.00 C ATOM 1391 O PRO A 601 9.399 11.350 11.644 1.00 0.00 O ATOM 1392 CB PRO A 601 12.328 9.671 12.114 1.00 0.00 C ATOM 1393 CG PRO A 601 12.369 9.292 10.615 1.00 0.00 C ATOM 1394 CD PRO A 601 11.045 8.567 10.308 1.00 0.00 C ATOM 0 HA PRO A 601 10.704 9.310 13.545 1.00 0.00 H new ATOM 0 HB2 PRO A 601 12.767 10.655 12.278 1.00 0.00 H new ATOM 0 HB3 PRO A 601 12.903 8.962 12.710 1.00 0.00 H new ATOM 0 HG2 PRO A 601 12.477 10.181 9.993 1.00 0.00 H new ATOM 0 HG3 PRO A 601 13.222 8.648 10.401 1.00 0.00 H new ATOM 0 HD2 PRO A 601 10.564 8.976 9.420 1.00 0.00 H new ATOM 0 HD3 PRO A 601 11.206 7.505 10.122 1.00 0.00 H new ATOM 1402 N GLN A 602 10.696 11.947 13.314 1.00 0.00 N ATOM 1403 CA GLN A 602 10.152 13.334 13.301 1.00 0.00 C ATOM 1404 C GLN A 602 11.246 14.308 12.861 1.00 0.00 C ATOM 1405 O GLN A 602 10.971 15.387 12.375 1.00 0.00 O ATOM 1406 CB GLN A 602 9.672 13.705 14.706 1.00 0.00 C ATOM 1407 CG GLN A 602 10.829 13.557 15.696 1.00 0.00 C ATOM 1408 CD GLN A 602 10.953 14.832 16.531 1.00 0.00 C ATOM 1409 OE1 GLN A 602 10.031 15.209 17.228 1.00 0.00 O ATOM 1410 NE2 GLN A 602 12.062 15.519 16.490 1.00 0.00 N ATOM 0 H GLN A 602 11.410 11.767 14.020 1.00 0.00 H new ATOM 0 HA GLN A 602 9.316 13.390 12.604 1.00 0.00 H new ATOM 0 HB2 GLN A 602 9.300 14.729 14.716 1.00 0.00 H new ATOM 0 HB3 GLN A 602 8.843 13.062 15.000 1.00 0.00 H new ATOM 0 HG2 GLN A 602 10.658 12.699 16.346 1.00 0.00 H new ATOM 0 HG3 GLN A 602 11.759 13.369 15.159 1.00 0.00 H new ATOM 0 HE21 GLN A 602 12.836 15.203 15.906 1.00 0.00 H new ATOM 0 HE22 GLN A 602 12.155 16.371 17.042 1.00 0.00 H new ATOM 1419 N ALA A 603 12.486 13.938 13.027 1.00 0.00 N ATOM 1420 CA ALA A 603 13.596 14.844 12.619 1.00 0.00 C ATOM 1421 C ALA A 603 13.830 14.717 11.112 1.00 0.00 C ATOM 1422 O ALA A 603 13.710 13.650 10.543 1.00 0.00 O ATOM 1423 CB ALA A 603 14.873 14.457 13.368 1.00 0.00 C ATOM 0 H ALA A 603 12.778 13.047 13.428 1.00 0.00 H new ATOM 0 HA ALA A 603 13.332 15.874 12.860 1.00 0.00 H new ATOM 0 HB1 ALA A 603 15.685 15.120 13.069 1.00 0.00 H new ATOM 0 HB2 ALA A 603 14.707 14.547 14.441 1.00 0.00 H new ATOM 0 HB3 ALA A 603 15.138 13.427 13.127 1.00 0.00 H new ATOM 1429 N CYS A 604 14.165 15.798 10.460 1.00 0.00 N ATOM 1430 CA CYS A 604 14.407 15.736 8.991 1.00 0.00 C ATOM 1431 C CYS A 604 15.621 14.849 8.712 1.00 0.00 C ATOM 1432 O CYS A 604 16.648 14.967 9.350 1.00 0.00 O ATOM 1433 CB CYS A 604 14.673 17.146 8.458 1.00 0.00 C ATOM 1434 SG CYS A 604 16.229 17.768 9.141 1.00 0.00 S ATOM 0 H CYS A 604 14.281 16.720 10.881 1.00 0.00 H new ATOM 0 HA CYS A 604 13.530 15.319 8.495 1.00 0.00 H new ATOM 0 HB2 CYS A 604 14.722 17.131 7.369 1.00 0.00 H new ATOM 0 HB3 CYS A 604 13.853 17.810 8.731 1.00 0.00 H new ATOM 0 HG CYS A 604 16.938 16.772 9.582 1.00 0.00 H new ATOM 1439 N GLY A 605 15.514 13.959 7.763 1.00 0.00 N ATOM 1440 CA GLY A 605 16.665 13.067 7.448 1.00 0.00 C ATOM 1441 C GLY A 605 16.206 11.942 6.519 1.00 0.00 C ATOM 1442 O GLY A 605 16.977 11.416 5.740 1.00 0.00 O ATOM 0 H GLY A 605 14.681 13.812 7.193 1.00 0.00 H new ATOM 0 HA2 GLY A 605 17.463 13.640 6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 605 17.075 12.648 8.367 1.00 0.00 H new ATOM 1446 N THR A 606 14.959 11.565 6.593 1.00 0.00 N ATOM 1447 CA THR A 606 14.462 10.472 5.711 1.00 0.00 C ATOM 1448 C THR A 606 12.933 10.419 5.764 1.00 0.00 C ATOM 1449 O THR A 606 12.338 9.362 5.686 1.00 0.00 O ATOM 1450 CB THR A 606 15.035 9.135 6.188 1.00 0.00 C ATOM 1451 OG1 THR A 606 14.583 8.096 5.331 1.00 0.00 O ATOM 1452 CG2 THR A 606 14.570 8.859 7.618 1.00 0.00 C ATOM 0 H THR A 606 14.265 11.965 7.224 1.00 0.00 H new ATOM 0 HA THR A 606 14.780 10.663 4.686 1.00 0.00 H new ATOM 0 HB THR A 606 16.124 9.177 6.166 1.00 0.00 H new ATOM 0 HG1 THR A 606 13.605 8.123 5.272 1.00 0.00 H new ATOM 0 HG21 THR A 606 14.979 7.907 7.956 1.00 0.00 H new ATOM 0 HG22 THR A 606 14.918 9.657 8.274 1.00 0.00 H new ATOM 0 HG23 THR A 606 13.481 8.816 7.645 1.00 0.00 H new ATOM 1460 N SER A 607 12.290 11.548 5.891 1.00 0.00 N ATOM 1461 CA SER A 607 10.801 11.553 5.943 1.00 0.00 C ATOM 1462 C SER A 607 10.253 10.749 4.762 1.00 0.00 C ATOM 1463 O SER A 607 9.189 10.178 4.821 1.00 0.00 O ATOM 1464 CB SER A 607 10.292 12.993 5.860 1.00 0.00 C ATOM 1465 OG SER A 607 10.980 13.789 6.816 1.00 0.00 O ATOM 0 H SER A 607 12.731 12.465 5.961 1.00 0.00 H new ATOM 0 HA SER A 607 10.466 11.105 6.878 1.00 0.00 H new ATOM 0 HB2 SER A 607 10.451 13.390 4.857 1.00 0.00 H new ATOM 0 HB3 SER A 607 9.219 13.023 6.049 1.00 0.00 H new ATOM 0 HG SER A 607 10.658 14.713 6.765 1.00 0.00 H new ATOM 1471 N THR A 608 10.976 10.692 3.689 1.00 0.00 N ATOM 1472 CA THR A 608 10.495 9.918 2.516 1.00 0.00 C ATOM 1473 C THR A 608 11.426 8.737 2.291 1.00 0.00 C ATOM 1474 O THR A 608 12.608 8.897 2.059 1.00 0.00 O ATOM 1475 CB THR A 608 10.488 10.816 1.275 1.00 0.00 C ATOM 1476 OG1 THR A 608 11.812 10.932 0.772 1.00 0.00 O ATOM 1477 CG2 THR A 608 9.960 12.202 1.647 1.00 0.00 C ATOM 0 H THR A 608 11.881 11.147 3.570 1.00 0.00 H new ATOM 0 HA THR A 608 9.482 9.559 2.699 1.00 0.00 H new ATOM 0 HB THR A 608 9.844 10.378 0.513 1.00 0.00 H new ATOM 0 HG1 THR A 608 12.436 10.499 1.391 1.00 0.00 H new ATOM 0 HG21 THR A 608 9.956 12.839 0.763 1.00 0.00 H new ATOM 0 HG22 THR A 608 8.945 12.113 2.035 1.00 0.00 H new ATOM 0 HG23 THR A 608 10.602 12.643 2.409 1.00 0.00 H new ATOM 1485 N ALA A 609 10.905 7.549 2.367 1.00 0.00 N ATOM 1486 CA ALA A 609 11.780 6.356 2.164 1.00 0.00 C ATOM 1487 C ALA A 609 11.103 5.363 1.225 1.00 0.00 C ATOM 1488 O ALA A 609 10.126 5.673 0.579 1.00 0.00 O ATOM 1489 CB ALA A 609 12.049 5.679 3.508 1.00 0.00 C ATOM 0 H ALA A 609 9.923 7.348 2.558 1.00 0.00 H new ATOM 0 HA ALA A 609 12.722 6.682 1.723 1.00 0.00 H new ATOM 0 HB1 ALA A 609 12.688 4.809 3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 609 12.546 6.382 4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 609 11.105 5.363 3.952 1.00 0.00 H new ATOM 1495 N THR A 610 11.622 4.168 1.146 1.00 0.00 N ATOM 1496 CA THR A 610 11.016 3.147 0.248 1.00 0.00 C ATOM 1497 C THR A 610 10.272 2.121 1.074 1.00 0.00 C ATOM 1498 O THR A 610 10.365 2.074 2.284 1.00 0.00 O ATOM 1499 CB THR A 610 12.109 2.460 -0.573 1.00 0.00 C ATOM 1500 OG1 THR A 610 13.318 2.444 0.172 1.00 0.00 O ATOM 1501 CG2 THR A 610 12.324 3.224 -1.881 1.00 0.00 C ATOM 0 H THR A 610 12.442 3.855 1.666 1.00 0.00 H new ATOM 0 HA THR A 610 10.318 3.636 -0.431 1.00 0.00 H new ATOM 0 HB THR A 610 11.806 1.437 -0.798 1.00 0.00 H new ATOM 0 HG1 THR A 610 14.019 2.003 -0.352 1.00 0.00 H new ATOM 0 HG21 THR A 610 13.103 2.734 -2.465 1.00 0.00 H new ATOM 0 HG22 THR A 610 11.396 3.236 -2.452 1.00 0.00 H new ATOM 0 HG23 THR A 610 12.627 4.247 -1.659 1.00 0.00 H new ATOM 1509 N VAL A 611 9.501 1.323 0.412 1.00 0.00 N ATOM 1510 CA VAL A 611 8.691 0.310 1.113 1.00 0.00 C ATOM 1511 C VAL A 611 8.317 -0.730 0.041 1.00 0.00 C ATOM 1512 O VAL A 611 7.158 -0.955 -0.251 1.00 0.00 O ATOM 1513 CB VAL A 611 7.418 0.999 1.635 1.00 0.00 C ATOM 1514 CG1 VAL A 611 7.016 0.456 2.999 1.00 0.00 C ATOM 1515 CG2 VAL A 611 7.613 2.489 1.810 1.00 0.00 C ATOM 0 H VAL A 611 9.396 1.330 -0.603 1.00 0.00 H new ATOM 0 HA VAL A 611 9.215 -0.152 1.950 1.00 0.00 H new ATOM 0 HB VAL A 611 6.650 0.799 0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 611 6.113 0.963 3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 611 6.825 -0.614 2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 611 7.822 0.630 3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 611 6.690 2.936 2.180 1.00 0.00 H new ATOM 0 HG22 VAL A 611 8.416 2.669 2.525 1.00 0.00 H new ATOM 0 HG23 VAL A 611 7.874 2.937 0.851 1.00 0.00 H new ATOM 1525 N THR A 612 9.305 -1.306 -0.600 1.00 0.00 N ATOM 1526 CA THR A 612 9.040 -2.268 -1.719 1.00 0.00 C ATOM 1527 C THR A 612 8.632 -3.654 -1.269 1.00 0.00 C ATOM 1528 O THR A 612 9.048 -4.155 -0.243 1.00 0.00 O ATOM 1529 CB THR A 612 10.298 -2.429 -2.562 1.00 0.00 C ATOM 1530 OG1 THR A 612 11.446 -2.112 -1.789 1.00 0.00 O ATOM 1531 CG2 THR A 612 10.202 -1.555 -3.795 1.00 0.00 C ATOM 0 H THR A 612 10.292 -1.150 -0.395 1.00 0.00 H new ATOM 0 HA THR A 612 8.208 -1.837 -2.275 1.00 0.00 H new ATOM 0 HB THR A 612 10.391 -3.465 -2.887 1.00 0.00 H new ATOM 0 HG1 THR A 612 12.250 -2.220 -2.338 1.00 0.00 H new ATOM 0 HG21 THR A 612 11.104 -1.673 -4.396 1.00 0.00 H new ATOM 0 HG22 THR A 612 9.333 -1.850 -4.383 1.00 0.00 H new ATOM 0 HG23 THR A 612 10.100 -0.512 -3.495 1.00 0.00 H new ATOM 1539 N ASP A 613 7.848 -4.296 -2.095 1.00 0.00 N ATOM 1540 CA ASP A 613 7.430 -5.676 -1.809 1.00 0.00 C ATOM 1541 C ASP A 613 6.889 -6.322 -3.094 1.00 0.00 C ATOM 1542 O ASP A 613 6.702 -5.673 -4.121 1.00 0.00 O ATOM 1543 CB ASP A 613 6.355 -5.685 -0.720 1.00 0.00 C ATOM 1544 CG ASP A 613 6.997 -6.014 0.629 1.00 0.00 C ATOM 1545 OD1 ASP A 613 8.170 -6.349 0.638 1.00 0.00 O ATOM 1546 OD2 ASP A 613 6.305 -5.926 1.629 1.00 0.00 O ATOM 0 H ASP A 613 7.481 -3.907 -2.964 1.00 0.00 H new ATOM 0 HA ASP A 613 8.288 -6.247 -1.454 1.00 0.00 H new ATOM 0 HB2 ASP A 613 5.862 -4.714 -0.673 1.00 0.00 H new ATOM 0 HB3 ASP A 613 5.587 -6.421 -0.958 1.00 0.00 H new ATOM 1551 N THR A 614 6.618 -7.592 -3.061 1.00 0.00 N ATOM 1552 CA THR A 614 6.078 -8.227 -4.285 1.00 0.00 C ATOM 1553 C THR A 614 5.398 -9.530 -3.973 1.00 0.00 C ATOM 1554 O THR A 614 5.918 -10.436 -3.353 1.00 0.00 O ATOM 1555 CB THR A 614 7.162 -8.401 -5.350 1.00 0.00 C ATOM 1556 OG1 THR A 614 7.183 -9.749 -5.798 1.00 0.00 O ATOM 1557 CG2 THR A 614 8.533 -8.025 -4.785 1.00 0.00 C ATOM 0 H THR A 614 6.744 -8.206 -2.257 1.00 0.00 H new ATOM 0 HA THR A 614 5.324 -7.556 -4.696 1.00 0.00 H new ATOM 0 HB THR A 614 6.936 -7.742 -6.189 1.00 0.00 H new ATOM 0 HG1 THR A 614 7.878 -9.856 -6.481 1.00 0.00 H new ATOM 0 HG21 THR A 614 9.292 -8.155 -5.556 1.00 0.00 H new ATOM 0 HG22 THR A 614 8.520 -6.985 -4.460 1.00 0.00 H new ATOM 0 HG23 THR A 614 8.765 -8.667 -3.936 1.00 0.00 H new ATOM 1565 N TRP A 615 4.202 -9.567 -4.425 1.00 0.00 N ATOM 1566 CA TRP A 615 3.313 -10.712 -4.251 1.00 0.00 C ATOM 1567 C TRP A 615 3.855 -11.930 -5.001 1.00 0.00 C ATOM 1568 O TRP A 615 3.831 -11.987 -6.214 1.00 0.00 O ATOM 1569 CB TRP A 615 1.989 -10.262 -4.834 1.00 0.00 C ATOM 1570 CG TRP A 615 0.955 -10.301 -3.782 1.00 0.00 C ATOM 1571 CD1 TRP A 615 0.760 -11.361 -3.053 1.00 0.00 C ATOM 1572 CD2 TRP A 615 -0.003 -9.302 -3.342 1.00 0.00 C ATOM 1573 NE1 TRP A 615 -0.245 -11.124 -2.130 1.00 0.00 N ATOM 1574 CE2 TRP A 615 -0.757 -9.851 -2.274 1.00 0.00 C ATOM 1575 CE3 TRP A 615 -0.287 -7.993 -3.744 1.00 0.00 C ATOM 1576 CZ2 TRP A 615 -1.757 -9.116 -1.629 1.00 0.00 C ATOM 1577 CZ3 TRP A 615 -1.282 -7.263 -3.110 1.00 0.00 C ATOM 1578 CH2 TRP A 615 -2.013 -7.811 -2.060 1.00 0.00 C ATOM 0 H TRP A 615 3.779 -8.797 -4.942 1.00 0.00 H new ATOM 0 HA TRP A 615 3.219 -11.011 -3.207 1.00 0.00 H new ATOM 0 HB2 TRP A 615 2.079 -9.252 -5.234 1.00 0.00 H new ATOM 0 HB3 TRP A 615 1.705 -10.909 -5.664 1.00 0.00 H new ATOM 0 HD1 TRP A 615 1.302 -12.290 -3.153 1.00 0.00 H new ATOM 0 HE1 TRP A 615 -0.564 -11.800 -1.436 1.00 0.00 H new ATOM 0 HE3 TRP A 615 0.272 -7.547 -4.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 615 -2.320 -9.548 -0.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 615 -1.492 -6.255 -3.436 1.00 0.00 H new ATOM 0 HH2 TRP A 615 -2.781 -7.226 -1.576 1.00 0.00 H new ATOM 1589 N ARG A 616 4.344 -12.907 -4.286 1.00 0.00 N ATOM 1590 CA ARG A 616 4.887 -14.121 -4.957 1.00 0.00 C ATOM 1591 C ARG A 616 4.394 -15.372 -4.227 1.00 0.00 C ATOM 1592 O ARG A 616 5.115 -16.357 -4.225 1.00 0.00 O ATOM 1593 CB ARG A 616 6.416 -14.081 -4.924 1.00 0.00 C ATOM 1594 CG ARG A 616 6.950 -13.798 -6.329 1.00 0.00 C ATOM 1595 CD ARG A 616 7.041 -15.107 -7.114 1.00 0.00 C ATOM 1596 NE ARG A 616 6.258 -14.985 -8.376 1.00 0.00 N ATOM 1597 CZ ARG A 616 6.746 -14.314 -9.384 1.00 0.00 C ATOM 1598 NH1 ARG A 616 6.506 -13.036 -9.493 1.00 0.00 N ATOM 1599 NH2 ARG A 616 7.473 -14.921 -10.281 1.00 0.00 N ATOM 1600 OXT ARG A 616 3.303 -15.325 -3.682 1.00 0.00 O ATOM 0 H ARG A 616 4.391 -12.916 -3.267 1.00 0.00 H new ATOM 0 HA ARG A 616 4.546 -14.147 -5.992 1.00 0.00 H new ATOM 0 HB2 ARG A 616 6.755 -13.310 -4.232 1.00 0.00 H new ATOM 0 HB3 ARG A 616 6.807 -15.031 -4.559 1.00 0.00 H new ATOM 0 HG2 ARG A 616 6.293 -13.097 -6.845 1.00 0.00 H new ATOM 0 HG3 ARG A 616 7.932 -13.329 -6.269 1.00 0.00 H new ATOM 0 HD2 ARG A 616 8.082 -15.336 -7.340 1.00 0.00 H new ATOM 0 HD3 ARG A 616 6.657 -15.931 -6.513 1.00 0.00 H new ATOM 0 HE ARG A 616 5.341 -15.426 -8.452 1.00 0.00 H new ATOM 0 HH11 ARG A 616 5.938 -12.562 -8.791 1.00 0.00 H new ATOM 0 HH12 ARG A 616 6.887 -12.511 -10.280 1.00 0.00 H new ATOM 0 HH21 ARG A 616 7.660 -15.920 -10.195 1.00 0.00 H new ATOM 0 HH22 ARG A 616 7.854 -14.397 -11.069 1.00 0.00 H new