USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 484 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 555 GLN : amide:sc= -0.0964 K(o=-3.9,f=-6.5) USER MOD Set 1.2: A 566 HIS : no HE2:sc= -3.79! C(o=-3.9!,f=-7.8!) USER MOD Single : A 530 THR OG1 : rot 180:sc= 0.00209 USER MOD Single : A 531 TYR OH : rot 180:sc= 0 USER MOD Single : A 532 GLN : amide:sc= -0.226 K(o=-0.23,f=-1.2) USER MOD Single : A 535 MET CE :methyl -160:sc= -2.01 (180deg=-2.59) USER MOD Single : A 536 LYS NZ :NH3+ 156:sc= -0.0716 (180deg=-0.575) USER MOD Single : A 544 MET CE :methyl 153:sc= -7.33! (180deg=-8.48!) USER MOD Single : A 545 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 549 MET CE :methyl 178:sc= -7.07! (180deg=-7.22!) USER MOD Single : A 550 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 551 SER OG : rot 180:sc= 0 USER MOD Single : A 554 GLN : amide:sc=-0.00381 K(o=-0.0038,f=-0.84) USER MOD Single : A 557 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.14) USER MOD Single : A 558 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 559 ASN : amide:sc= -0.603 K(o=-0.6,f=-3.5!) USER MOD Single : A 564 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 567 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.6) USER MOD Single : A 574 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 575 LYS NZ :NH3+ -108:sc= 0.102 (180deg=0) USER MOD Single : A 577 GLN : amide:sc= -3.54 X(o=-3.5,f=-3.7!) USER MOD Single : A 578 THR OG1 : rot 80:sc= 0.712 USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 527 69.505 0.912 5.081 1.00 0.00 N ATOM 108 CA PRO A 527 69.361 0.464 3.658 1.00 0.00 C ATOM 109 C PRO A 527 70.361 -0.635 3.294 1.00 0.00 C ATOM 110 O PRO A 527 70.077 -1.498 2.459 1.00 0.00 O ATOM 111 CB PRO A 527 69.621 1.730 2.834 1.00 0.00 C ATOM 112 CG PRO A 527 69.352 2.868 3.758 1.00 0.00 C ATOM 113 CD PRO A 527 69.696 2.375 5.160 1.00 0.00 C ATOM 0 HA PRO A 527 68.379 0.030 3.472 1.00 0.00 H new ATOM 0 HB2 PRO A 527 70.647 1.756 2.468 1.00 0.00 H new ATOM 0 HB3 PRO A 527 68.970 1.771 1.961 1.00 0.00 H new ATOM 0 HG2 PRO A 527 69.956 3.735 3.492 1.00 0.00 H new ATOM 0 HG3 PRO A 527 68.308 3.177 3.700 1.00 0.00 H new ATOM 0 HD2 PRO A 527 70.720 2.630 5.433 1.00 0.00 H new ATOM 0 HD3 PRO A 527 69.045 2.823 5.911 1.00 0.00 H new ATOM 121 N GLU A 528 71.523 -0.615 3.949 1.00 0.00 N ATOM 122 CA GLU A 528 72.554 -1.625 3.708 1.00 0.00 C ATOM 123 C GLU A 528 72.028 -3.026 4.028 1.00 0.00 C ATOM 124 O GLU A 528 72.363 -3.994 3.341 1.00 0.00 O ATOM 125 CB GLU A 528 73.788 -1.330 4.565 1.00 0.00 C ATOM 126 CG GLU A 528 74.963 -2.188 4.090 1.00 0.00 C ATOM 127 CD GLU A 528 76.159 -2.004 5.020 1.00 0.00 C ATOM 128 OE1 GLU A 528 76.412 -0.876 5.414 1.00 0.00 O ATOM 129 OE2 GLU A 528 76.805 -2.992 5.326 1.00 0.00 O ATOM 0 H GLU A 528 71.773 0.086 4.647 1.00 0.00 H new ATOM 0 HA GLU A 528 72.828 -1.588 2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 528 74.046 -0.273 4.497 1.00 0.00 H new ATOM 0 HB3 GLU A 528 73.573 -1.539 5.613 1.00 0.00 H new ATOM 0 HG2 GLU A 528 74.670 -3.238 4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 528 75.238 -1.910 3.073 1.00 0.00 H new ATOM 136 N GLU A 529 71.166 -3.120 5.043 1.00 0.00 N ATOM 137 CA GLU A 529 70.616 -4.412 5.447 1.00 0.00 C ATOM 138 C GLU A 529 69.706 -4.966 4.353 1.00 0.00 C ATOM 139 O GLU A 529 69.739 -6.159 4.053 1.00 0.00 O ATOM 140 CB GLU A 529 69.822 -4.263 6.745 1.00 0.00 C ATOM 141 CG GLU A 529 69.619 -5.640 7.382 1.00 0.00 C ATOM 142 CD GLU A 529 68.713 -5.524 8.604 1.00 0.00 C ATOM 143 OE1 GLU A 529 67.729 -4.805 8.523 1.00 0.00 O ATOM 144 OE2 GLU A 529 69.016 -6.155 9.603 1.00 0.00 O ATOM 0 H GLU A 529 70.838 -2.326 5.593 1.00 0.00 H new ATOM 0 HA GLU A 529 71.442 -5.104 5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 529 70.353 -3.606 7.435 1.00 0.00 H new ATOM 0 HB3 GLU A 529 68.857 -3.799 6.542 1.00 0.00 H new ATOM 0 HG2 GLU A 529 69.178 -6.324 6.656 1.00 0.00 H new ATOM 0 HG3 GLU A 529 70.582 -6.061 7.672 1.00 0.00 H new ATOM 151 N THR A 530 68.918 -4.082 3.737 1.00 0.00 N ATOM 152 CA THR A 530 68.004 -4.490 2.667 1.00 0.00 C ATOM 153 C THR A 530 68.769 -5.121 1.505 1.00 0.00 C ATOM 154 O THR A 530 68.391 -6.182 1.007 1.00 0.00 O ATOM 155 CB THR A 530 67.217 -3.278 2.160 1.00 0.00 C ATOM 156 OG1 THR A 530 66.724 -2.539 3.268 1.00 0.00 O ATOM 157 CG2 THR A 530 66.044 -3.749 1.298 1.00 0.00 C ATOM 0 H THR A 530 68.894 -3.087 3.958 1.00 0.00 H new ATOM 0 HA THR A 530 67.316 -5.230 3.074 1.00 0.00 H new ATOM 0 HB THR A 530 67.873 -2.645 1.561 1.00 0.00 H new ATOM 0 HG1 THR A 530 66.221 -1.762 2.945 1.00 0.00 H new ATOM 0 HG21 THR A 530 65.486 -2.884 0.939 1.00 0.00 H new ATOM 0 HG22 THR A 530 66.422 -4.316 0.447 1.00 0.00 H new ATOM 0 HG23 THR A 530 65.387 -4.383 1.893 1.00 0.00 H new ATOM 165 N TYR A 531 69.862 -4.476 1.093 1.00 0.00 N ATOM 166 CA TYR A 531 70.668 -4.978 -0.018 1.00 0.00 C ATOM 167 C TYR A 531 71.211 -6.378 0.278 1.00 0.00 C ATOM 168 O TYR A 531 71.114 -7.274 -0.559 1.00 0.00 O ATOM 169 CB TYR A 531 71.832 -4.022 -0.300 1.00 0.00 C ATOM 170 CG TYR A 531 71.449 -2.845 -1.167 1.00 0.00 C ATOM 171 CD1 TYR A 531 70.425 -1.959 -0.752 1.00 0.00 C ATOM 172 CD2 TYR A 531 72.116 -2.627 -2.398 1.00 0.00 C ATOM 173 CE1 TYR A 531 70.068 -0.857 -1.567 1.00 0.00 C ATOM 174 CE2 TYR A 531 71.760 -1.526 -3.212 1.00 0.00 C ATOM 175 CZ TYR A 531 70.736 -0.640 -2.797 1.00 0.00 C ATOM 176 OH TYR A 531 70.388 0.434 -3.591 1.00 0.00 O ATOM 0 H TYR A 531 70.207 -3.611 1.509 1.00 0.00 H new ATOM 0 HA TYR A 531 70.025 -5.038 -0.896 1.00 0.00 H new ATOM 0 HB2 TYR A 531 72.226 -3.653 0.647 1.00 0.00 H new ATOM 0 HB3 TYR A 531 72.636 -4.575 -0.786 1.00 0.00 H new ATOM 0 HD1 TYR A 531 69.916 -2.124 0.186 1.00 0.00 H new ATOM 0 HD2 TYR A 531 72.897 -3.302 -2.715 1.00 0.00 H new ATOM 0 HE1 TYR A 531 69.286 -0.182 -1.251 1.00 0.00 H new ATOM 0 HE2 TYR A 531 72.269 -1.361 -4.150 1.00 0.00 H new ATOM 0 HH TYR A 531 70.944 0.438 -4.398 1.00 0.00 H new ATOM 186 N GLN A 532 71.757 -6.569 1.481 1.00 0.00 N ATOM 187 CA GLN A 532 72.315 -7.871 1.866 1.00 0.00 C ATOM 188 C GLN A 532 71.259 -8.976 1.779 1.00 0.00 C ATOM 189 O GLN A 532 71.518 -10.053 1.235 1.00 0.00 O ATOM 190 CB GLN A 532 72.871 -7.807 3.291 1.00 0.00 C ATOM 191 CG GLN A 532 74.097 -6.890 3.321 1.00 0.00 C ATOM 192 CD GLN A 532 74.721 -6.887 4.715 1.00 0.00 C ATOM 193 OE1 GLN A 532 74.613 -7.869 5.450 1.00 0.00 O ATOM 194 NE2 GLN A 532 75.375 -5.834 5.123 1.00 0.00 N ATOM 0 H GLN A 532 71.825 -5.848 2.200 1.00 0.00 H new ATOM 0 HA GLN A 532 73.120 -8.107 1.170 1.00 0.00 H new ATOM 0 HB2 GLN A 532 72.108 -7.434 3.974 1.00 0.00 H new ATOM 0 HB3 GLN A 532 73.143 -8.806 3.632 1.00 0.00 H new ATOM 0 HG2 GLN A 532 74.830 -7.227 2.588 1.00 0.00 H new ATOM 0 HG3 GLN A 532 73.809 -5.877 3.042 1.00 0.00 H new ATOM 0 HE21 GLN A 532 75.464 -5.021 4.513 1.00 0.00 H new ATOM 0 HE22 GLN A 532 75.797 -5.824 6.051 1.00 0.00 H new ATOM 203 N ARG A 533 70.046 -8.683 2.253 1.00 0.00 N ATOM 204 CA ARG A 533 68.960 -9.663 2.207 1.00 0.00 C ATOM 205 C ARG A 533 68.696 -10.089 0.765 1.00 0.00 C ATOM 206 O ARG A 533 68.738 -11.276 0.442 1.00 0.00 O ATOM 207 CB ARG A 533 67.685 -9.066 2.814 1.00 0.00 C ATOM 208 CG ARG A 533 66.650 -10.174 3.028 1.00 0.00 C ATOM 209 CD ARG A 533 65.333 -9.557 3.501 1.00 0.00 C ATOM 210 NE ARG A 533 65.527 -8.850 4.769 1.00 0.00 N ATOM 211 CZ ARG A 533 64.576 -8.072 5.309 1.00 0.00 C ATOM 212 NH1 ARG A 533 63.415 -7.905 4.722 1.00 0.00 N ATOM 213 NH2 ARG A 533 64.812 -7.468 6.441 1.00 0.00 N ATOM 0 H ARG A 533 69.793 -7.786 2.668 1.00 0.00 H new ATOM 0 HA ARG A 533 69.254 -10.538 2.787 1.00 0.00 H new ATOM 0 HB2 ARG A 533 67.915 -8.581 3.763 1.00 0.00 H new ATOM 0 HB3 ARG A 533 67.280 -8.299 2.154 1.00 0.00 H new ATOM 0 HG2 ARG A 533 66.494 -10.724 2.100 1.00 0.00 H new ATOM 0 HG3 ARG A 533 67.014 -10.889 3.765 1.00 0.00 H new ATOM 0 HD2 ARG A 533 64.956 -8.867 2.746 1.00 0.00 H new ATOM 0 HD3 ARG A 533 64.582 -10.337 3.623 1.00 0.00 H new ATOM 0 HE ARG A 533 66.416 -8.952 5.259 1.00 0.00 H new ATOM 0 HH11 ARG A 533 63.220 -8.371 3.836 1.00 0.00 H new ATOM 0 HH12 ARG A 533 62.707 -7.309 5.151 1.00 0.00 H new ATOM 0 HH21 ARG A 533 65.712 -7.590 6.906 1.00 0.00 H new ATOM 0 HH22 ARG A 533 64.097 -6.874 6.861 1.00 0.00 H new ATOM 227 N ALA A 534 68.565 -9.101 -0.119 1.00 0.00 N ATOM 228 CA ALA A 534 68.318 -9.369 -1.538 1.00 0.00 C ATOM 229 C ALA A 534 69.470 -10.167 -2.155 1.00 0.00 C ATOM 230 O ALA A 534 69.253 -11.024 -3.012 1.00 0.00 O ATOM 231 CB ALA A 534 68.158 -8.048 -2.293 1.00 0.00 C ATOM 0 H ALA A 534 68.625 -8.111 0.119 1.00 0.00 H new ATOM 0 HA ALA A 534 67.404 -9.957 -1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 534 67.974 -8.252 -3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 534 67.317 -7.492 -1.879 1.00 0.00 H new ATOM 0 HB3 ALA A 534 69.069 -7.458 -2.191 1.00 0.00 H new ATOM 237 N MET A 535 70.691 -9.890 -1.694 1.00 0.00 N ATOM 238 CA MET A 535 71.884 -10.547 -2.231 1.00 0.00 C ATOM 239 C MET A 535 71.837 -12.059 -2.000 1.00 0.00 C ATOM 240 O MET A 535 72.369 -12.829 -2.801 1.00 0.00 O ATOM 241 CB MET A 535 73.143 -9.971 -1.579 1.00 0.00 C ATOM 242 CG MET A 535 73.431 -8.586 -2.159 1.00 0.00 C ATOM 243 SD MET A 535 74.144 -8.763 -3.813 1.00 0.00 S ATOM 244 CE MET A 535 72.697 -8.211 -4.750 1.00 0.00 C ATOM 0 H MET A 535 70.880 -9.217 -0.951 1.00 0.00 H new ATOM 0 HA MET A 535 71.910 -10.362 -3.305 1.00 0.00 H new ATOM 0 HB2 MET A 535 73.008 -9.904 -0.500 1.00 0.00 H new ATOM 0 HB3 MET A 535 73.991 -10.633 -1.753 1.00 0.00 H new ATOM 0 HG2 MET A 535 72.512 -8.002 -2.208 1.00 0.00 H new ATOM 0 HG3 MET A 535 74.119 -8.044 -1.510 1.00 0.00 H new ATOM 0 HE1 MET A 535 72.773 -8.565 -5.778 1.00 0.00 H new ATOM 0 HE2 MET A 535 71.793 -8.614 -4.294 1.00 0.00 H new ATOM 0 HE3 MET A 535 72.653 -7.122 -4.743 1.00 0.00 H new ATOM 254 N LYS A 536 71.201 -12.476 -0.905 1.00 0.00 N ATOM 255 CA LYS A 536 71.042 -13.901 -0.622 1.00 0.00 C ATOM 256 C LYS A 536 70.019 -14.533 -1.568 1.00 0.00 C ATOM 257 O LYS A 536 70.058 -15.741 -1.814 1.00 0.00 O ATOM 258 CB LYS A 536 70.605 -14.106 0.830 1.00 0.00 C ATOM 259 CG LYS A 536 71.687 -13.575 1.770 1.00 0.00 C ATOM 260 CD LYS A 536 71.295 -13.869 3.220 1.00 0.00 C ATOM 261 CE LYS A 536 72.300 -13.206 4.164 1.00 0.00 C ATOM 262 NZ LYS A 536 72.177 -11.725 4.060 1.00 0.00 N ATOM 0 H LYS A 536 70.792 -11.855 -0.207 1.00 0.00 H new ATOM 0 HA LYS A 536 72.004 -14.388 -0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 536 69.663 -13.589 1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 536 70.430 -15.165 1.022 1.00 0.00 H new ATOM 0 HG2 LYS A 536 72.645 -14.042 1.540 1.00 0.00 H new ATOM 0 HG3 LYS A 536 71.813 -12.502 1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 536 70.291 -13.495 3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 536 71.274 -14.945 3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 536 72.117 -13.526 5.190 1.00 0.00 H new ATOM 0 HE3 LYS A 536 73.313 -13.516 3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 536 72.526 -11.285 4.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 536 72.740 -11.386 3.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 536 71.179 -11.469 3.918 1.00 0.00 H new ATOM 276 N ASP A 537 69.106 -13.716 -2.092 1.00 0.00 N ATOM 277 CA ASP A 537 68.128 -14.192 -3.064 1.00 0.00 C ATOM 278 C ASP A 537 68.759 -14.265 -4.463 1.00 0.00 C ATOM 279 O ASP A 537 69.084 -13.229 -5.047 1.00 0.00 O ATOM 280 CB ASP A 537 66.922 -13.245 -3.094 1.00 0.00 C ATOM 281 CG ASP A 537 65.771 -13.850 -3.904 1.00 0.00 C ATOM 282 OD1 ASP A 537 65.850 -15.021 -4.250 1.00 0.00 O ATOM 283 OD2 ASP A 537 64.822 -13.131 -4.168 1.00 0.00 O ATOM 0 H ASP A 537 69.025 -12.726 -1.860 1.00 0.00 H new ATOM 0 HA ASP A 537 67.800 -15.189 -2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 537 66.588 -13.042 -2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 537 67.215 -12.290 -3.529 1.00 0.00 H new ATOM 288 N PRO A 538 68.934 -15.454 -5.015 1.00 0.00 N ATOM 289 CA PRO A 538 69.672 -15.623 -6.311 1.00 0.00 C ATOM 290 C PRO A 538 69.036 -14.836 -7.457 1.00 0.00 C ATOM 291 O PRO A 538 69.729 -14.416 -8.385 1.00 0.00 O ATOM 292 CB PRO A 538 69.621 -17.132 -6.593 1.00 0.00 C ATOM 293 CG PRO A 538 69.263 -17.776 -5.297 1.00 0.00 C ATOM 294 CD PRO A 538 68.444 -16.753 -4.519 1.00 0.00 C ATOM 0 HA PRO A 538 70.689 -15.239 -6.236 1.00 0.00 H new ATOM 0 HB2 PRO A 538 68.882 -17.361 -7.361 1.00 0.00 H new ATOM 0 HB3 PRO A 538 70.582 -17.494 -6.957 1.00 0.00 H new ATOM 0 HG2 PRO A 538 68.689 -18.688 -5.462 1.00 0.00 H new ATOM 0 HG3 PRO A 538 70.158 -18.058 -4.743 1.00 0.00 H new ATOM 0 HD2 PRO A 538 67.376 -16.873 -4.702 1.00 0.00 H new ATOM 0 HD3 PRO A 538 68.596 -16.853 -3.444 1.00 0.00 H new ATOM 302 N GLU A 539 67.724 -14.602 -7.370 1.00 0.00 N ATOM 303 CA GLU A 539 67.021 -13.870 -8.423 1.00 0.00 C ATOM 304 C GLU A 539 67.497 -12.421 -8.464 1.00 0.00 C ATOM 305 O GLU A 539 67.647 -11.840 -9.535 1.00 0.00 O ATOM 306 CB GLU A 539 65.506 -13.901 -8.192 1.00 0.00 C ATOM 307 CG GLU A 539 65.029 -15.351 -8.078 1.00 0.00 C ATOM 308 CD GLU A 539 63.510 -15.390 -7.942 1.00 0.00 C ATOM 309 OE1 GLU A 539 63.035 -15.352 -6.819 1.00 0.00 O ATOM 310 OE2 GLU A 539 62.846 -15.459 -8.963 1.00 0.00 O ATOM 0 H GLU A 539 67.136 -14.904 -6.593 1.00 0.00 H new ATOM 0 HA GLU A 539 67.242 -14.354 -9.375 1.00 0.00 H new ATOM 0 HB2 GLU A 539 65.256 -13.354 -7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 539 64.993 -13.403 -9.015 1.00 0.00 H new ATOM 0 HG2 GLU A 539 65.338 -15.915 -8.958 1.00 0.00 H new ATOM 0 HG3 GLU A 539 65.492 -15.828 -7.215 1.00 0.00 H new ATOM 317 N VAL A 540 67.817 -11.872 -7.292 1.00 0.00 N ATOM 318 CA VAL A 540 68.308 -10.500 -7.208 1.00 0.00 C ATOM 319 C VAL A 540 69.655 -10.381 -7.915 1.00 0.00 C ATOM 320 O VAL A 540 69.846 -9.514 -8.765 1.00 0.00 O ATOM 321 CB VAL A 540 68.458 -10.091 -5.737 1.00 0.00 C ATOM 322 CG1 VAL A 540 68.933 -8.638 -5.639 1.00 0.00 C ATOM 323 CG2 VAL A 540 67.112 -10.238 -5.024 1.00 0.00 C ATOM 0 H VAL A 540 67.745 -12.353 -6.395 1.00 0.00 H new ATOM 0 HA VAL A 540 67.592 -9.838 -7.695 1.00 0.00 H new ATOM 0 HB VAL A 540 69.196 -10.739 -5.263 1.00 0.00 H new ATOM 0 HG11 VAL A 540 69.036 -8.359 -4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 540 69.897 -8.536 -6.138 1.00 0.00 H new ATOM 0 HG13 VAL A 540 68.205 -7.984 -6.119 1.00 0.00 H new ATOM 0 HG21 VAL A 540 67.220 -9.947 -3.979 1.00 0.00 H new ATOM 0 HG22 VAL A 540 66.374 -9.596 -5.505 1.00 0.00 H new ATOM 0 HG23 VAL A 540 66.782 -11.275 -5.080 1.00 0.00 H new ATOM 333 N ALA A 541 70.573 -11.284 -7.582 1.00 0.00 N ATOM 334 CA ALA A 541 71.939 -11.213 -8.102 1.00 0.00 C ATOM 335 C ALA A 541 71.939 -11.257 -9.630 1.00 0.00 C ATOM 336 O ALA A 541 72.523 -10.399 -10.296 1.00 0.00 O ATOM 337 CB ALA A 541 72.757 -12.388 -7.553 1.00 0.00 C ATOM 0 H ALA A 541 70.399 -12.071 -6.957 1.00 0.00 H new ATOM 0 HA ALA A 541 72.385 -10.271 -7.783 1.00 0.00 H new ATOM 0 HB1 ALA A 541 73.775 -12.335 -7.940 1.00 0.00 H new ATOM 0 HB2 ALA A 541 72.780 -12.338 -6.464 1.00 0.00 H new ATOM 0 HB3 ALA A 541 72.299 -13.327 -7.864 1.00 0.00 H new ATOM 343 N ALA A 542 71.209 -12.227 -10.172 1.00 0.00 N ATOM 344 CA ALA A 542 71.207 -12.462 -11.617 1.00 0.00 C ATOM 345 C ALA A 542 70.627 -11.265 -12.370 1.00 0.00 C ATOM 346 O ALA A 542 71.176 -10.839 -13.388 1.00 0.00 O ATOM 347 CB ALA A 542 70.386 -13.712 -11.942 1.00 0.00 C ATOM 0 H ALA A 542 70.614 -12.861 -9.639 1.00 0.00 H new ATOM 0 HA ALA A 542 72.240 -12.605 -11.935 1.00 0.00 H new ATOM 0 HB1 ALA A 542 70.390 -13.880 -13.019 1.00 0.00 H new ATOM 0 HB2 ALA A 542 70.822 -14.575 -11.439 1.00 0.00 H new ATOM 0 HB3 ALA A 542 69.360 -13.573 -11.600 1.00 0.00 H new ATOM 353 N ILE A 543 69.522 -10.731 -11.860 1.00 0.00 N ATOM 354 CA ILE A 543 68.824 -9.633 -12.526 1.00 0.00 C ATOM 355 C ILE A 543 69.639 -8.336 -12.443 1.00 0.00 C ATOM 356 O ILE A 543 69.606 -7.521 -13.366 1.00 0.00 O ATOM 357 CB ILE A 543 67.442 -9.449 -11.874 1.00 0.00 C ATOM 358 CG1 ILE A 543 66.652 -10.761 -12.005 1.00 0.00 C ATOM 359 CG2 ILE A 543 66.661 -8.318 -12.566 1.00 0.00 C ATOM 360 CD1 ILE A 543 65.384 -10.691 -11.149 1.00 0.00 C ATOM 0 H ILE A 543 69.090 -11.039 -10.989 1.00 0.00 H new ATOM 0 HA ILE A 543 68.699 -9.875 -13.581 1.00 0.00 H new ATOM 0 HB ILE A 543 67.577 -9.188 -10.824 1.00 0.00 H new ATOM 0 HG12 ILE A 543 66.388 -10.935 -13.048 1.00 0.00 H new ATOM 0 HG13 ILE A 543 67.270 -11.601 -11.688 1.00 0.00 H new ATOM 0 HG21 ILE A 543 65.687 -8.204 -12.090 1.00 0.00 H new ATOM 0 HG22 ILE A 543 67.218 -7.385 -12.479 1.00 0.00 H new ATOM 0 HG23 ILE A 543 66.524 -8.562 -13.619 1.00 0.00 H new ATOM 0 HD11 ILE A 543 64.828 -11.623 -11.246 1.00 0.00 H new ATOM 0 HD12 ILE A 543 65.658 -10.538 -10.105 1.00 0.00 H new ATOM 0 HD13 ILE A 543 64.763 -9.861 -11.486 1.00 0.00 H new ATOM 372 N MET A 544 70.364 -8.148 -11.337 1.00 0.00 N ATOM 373 CA MET A 544 71.201 -6.953 -11.167 1.00 0.00 C ATOM 374 C MET A 544 72.263 -6.872 -12.261 1.00 0.00 C ATOM 375 O MET A 544 72.626 -5.781 -12.705 1.00 0.00 O ATOM 376 CB MET A 544 71.880 -6.970 -9.797 1.00 0.00 C ATOM 377 CG MET A 544 70.892 -6.498 -8.731 1.00 0.00 C ATOM 378 SD MET A 544 71.772 -6.236 -7.173 1.00 0.00 S ATOM 379 CE MET A 544 70.367 -5.602 -6.228 1.00 0.00 C ATOM 0 H MET A 544 70.390 -8.799 -10.552 1.00 0.00 H new ATOM 0 HA MET A 544 70.555 -6.078 -11.239 1.00 0.00 H new ATOM 0 HB2 MET A 544 72.228 -7.976 -9.565 1.00 0.00 H new ATOM 0 HB3 MET A 544 72.757 -6.323 -9.806 1.00 0.00 H new ATOM 0 HG2 MET A 544 70.410 -5.574 -9.049 1.00 0.00 H new ATOM 0 HG3 MET A 544 70.104 -7.239 -8.596 1.00 0.00 H new ATOM 0 HE1 MET A 544 70.515 -5.815 -5.169 1.00 0.00 H new ATOM 0 HE2 MET A 544 70.287 -4.525 -6.374 1.00 0.00 H new ATOM 0 HE3 MET A 544 69.451 -6.084 -6.570 1.00 0.00 H new ATOM 389 N GLN A 545 72.757 -8.032 -12.685 1.00 0.00 N ATOM 390 CA GLN A 545 73.603 -8.096 -13.871 1.00 0.00 C ATOM 391 C GLN A 545 72.741 -7.930 -15.120 1.00 0.00 C ATOM 392 O GLN A 545 71.520 -7.805 -15.021 1.00 0.00 O ATOM 393 CB GLN A 545 74.352 -9.429 -13.922 1.00 0.00 C ATOM 394 CG GLN A 545 75.237 -9.565 -12.681 1.00 0.00 C ATOM 395 CD GLN A 545 75.962 -10.907 -12.699 1.00 0.00 C ATOM 396 OE1 GLN A 545 75.407 -11.909 -13.152 1.00 0.00 O ATOM 397 NE2 GLN A 545 77.176 -10.988 -12.229 1.00 0.00 N ATOM 0 H GLN A 545 72.589 -8.930 -12.231 1.00 0.00 H new ATOM 0 HA GLN A 545 74.337 -7.291 -13.828 1.00 0.00 H new ATOM 0 HB2 GLN A 545 73.643 -10.255 -13.968 1.00 0.00 H new ATOM 0 HB3 GLN A 545 74.962 -9.481 -14.824 1.00 0.00 H new ATOM 0 HG2 GLN A 545 75.962 -8.752 -12.651 1.00 0.00 H new ATOM 0 HG3 GLN A 545 74.629 -9.483 -11.780 1.00 0.00 H new ATOM 0 HE21 GLN A 545 77.634 -10.157 -11.854 1.00 0.00 H new ATOM 0 HE22 GLN A 545 77.667 -11.882 -12.236 1.00 0.00 H new ATOM 406 N ASP A 546 73.382 -7.911 -16.292 1.00 0.00 N ATOM 407 CA ASP A 546 72.673 -7.673 -17.558 1.00 0.00 C ATOM 408 C ASP A 546 72.216 -6.205 -17.616 1.00 0.00 C ATOM 409 O ASP A 546 71.552 -5.723 -16.698 1.00 0.00 O ATOM 410 CB ASP A 546 71.451 -8.611 -17.673 1.00 0.00 C ATOM 411 CG ASP A 546 71.139 -8.961 -19.132 1.00 0.00 C ATOM 412 OD1 ASP A 546 71.945 -8.654 -19.994 1.00 0.00 O ATOM 413 OD2 ASP A 546 70.090 -9.537 -19.363 1.00 0.00 O ATOM 0 H ASP A 546 74.386 -8.057 -16.393 1.00 0.00 H new ATOM 0 HA ASP A 546 73.346 -7.879 -18.390 1.00 0.00 H new ATOM 0 HB2 ASP A 546 71.641 -9.526 -17.112 1.00 0.00 H new ATOM 0 HB3 ASP A 546 70.582 -8.134 -17.220 1.00 0.00 H new ATOM 418 N PRO A 547 72.552 -5.495 -18.672 1.00 0.00 N ATOM 419 CA PRO A 547 72.597 -3.998 -18.648 1.00 0.00 C ATOM 420 C PRO A 547 71.211 -3.345 -18.605 1.00 0.00 C ATOM 421 O PRO A 547 71.096 -2.144 -18.340 1.00 0.00 O ATOM 422 CB PRO A 547 73.330 -3.648 -19.939 1.00 0.00 C ATOM 423 CG PRO A 547 72.972 -4.736 -20.889 1.00 0.00 C ATOM 424 CD PRO A 547 72.731 -5.994 -20.051 1.00 0.00 C ATOM 0 HA PRO A 547 73.087 -3.627 -17.748 1.00 0.00 H new ATOM 0 HB2 PRO A 547 73.020 -2.674 -20.318 1.00 0.00 H new ATOM 0 HB3 PRO A 547 74.407 -3.600 -19.781 1.00 0.00 H new ATOM 0 HG2 PRO A 547 72.080 -4.474 -21.458 1.00 0.00 H new ATOM 0 HG3 PRO A 547 73.773 -4.899 -21.609 1.00 0.00 H new ATOM 0 HD2 PRO A 547 71.850 -6.536 -20.394 1.00 0.00 H new ATOM 0 HD3 PRO A 547 73.574 -6.682 -20.117 1.00 0.00 H new ATOM 432 N VAL A 548 70.160 -4.128 -18.869 1.00 0.00 N ATOM 433 CA VAL A 548 68.828 -3.566 -19.121 1.00 0.00 C ATOM 434 C VAL A 548 68.386 -2.663 -17.968 1.00 0.00 C ATOM 435 O VAL A 548 68.054 -1.499 -18.180 1.00 0.00 O ATOM 436 CB VAL A 548 67.810 -4.704 -19.320 1.00 0.00 C ATOM 437 CG1 VAL A 548 66.395 -4.136 -19.511 1.00 0.00 C ATOM 438 CG2 VAL A 548 68.198 -5.517 -20.557 1.00 0.00 C ATOM 0 H VAL A 548 70.204 -5.146 -18.914 1.00 0.00 H new ATOM 0 HA VAL A 548 68.876 -2.961 -20.027 1.00 0.00 H new ATOM 0 HB VAL A 548 67.817 -5.340 -18.435 1.00 0.00 H new ATOM 0 HG11 VAL A 548 65.690 -4.955 -19.650 1.00 0.00 H new ATOM 0 HG12 VAL A 548 66.112 -3.560 -18.630 1.00 0.00 H new ATOM 0 HG13 VAL A 548 66.378 -3.490 -20.388 1.00 0.00 H new ATOM 0 HG21 VAL A 548 67.480 -6.324 -20.702 1.00 0.00 H new ATOM 0 HG22 VAL A 548 68.197 -4.869 -21.433 1.00 0.00 H new ATOM 0 HG23 VAL A 548 69.194 -5.938 -20.418 1.00 0.00 H new ATOM 448 N MET A 549 68.455 -3.179 -16.747 1.00 0.00 N ATOM 449 CA MET A 549 67.862 -2.479 -15.609 1.00 0.00 C ATOM 450 C MET A 549 68.559 -1.149 -15.346 1.00 0.00 C ATOM 451 O MET A 549 67.911 -0.171 -14.973 1.00 0.00 O ATOM 452 CB MET A 549 67.908 -3.346 -14.354 1.00 0.00 C ATOM 453 CG MET A 549 66.739 -4.326 -14.378 1.00 0.00 C ATOM 454 SD MET A 549 66.620 -5.137 -12.771 1.00 0.00 S ATOM 455 CE MET A 549 65.196 -4.211 -12.154 1.00 0.00 C ATOM 0 H MET A 549 68.907 -4.064 -16.519 1.00 0.00 H new ATOM 0 HA MET A 549 66.821 -2.276 -15.861 1.00 0.00 H new ATOM 0 HB2 MET A 549 68.852 -3.889 -14.307 1.00 0.00 H new ATOM 0 HB3 MET A 549 67.855 -2.720 -13.463 1.00 0.00 H new ATOM 0 HG2 MET A 549 65.811 -3.800 -14.604 1.00 0.00 H new ATOM 0 HG3 MET A 549 66.885 -5.067 -15.164 1.00 0.00 H new ATOM 0 HE1 MET A 549 64.922 -4.581 -11.166 1.00 0.00 H new ATOM 0 HE2 MET A 549 65.451 -3.153 -12.087 1.00 0.00 H new ATOM 0 HE3 MET A 549 64.355 -4.339 -12.836 1.00 0.00 H new ATOM 465 N GLN A 550 69.874 -1.103 -15.565 1.00 0.00 N ATOM 466 CA GLN A 550 70.622 0.145 -15.400 1.00 0.00 C ATOM 467 C GLN A 550 70.067 1.229 -16.326 1.00 0.00 C ATOM 468 O GLN A 550 69.805 2.354 -15.897 1.00 0.00 O ATOM 469 CB GLN A 550 72.103 -0.087 -15.717 1.00 0.00 C ATOM 470 CG GLN A 550 72.925 1.114 -15.242 1.00 0.00 C ATOM 471 CD GLN A 550 74.375 0.960 -15.688 1.00 0.00 C ATOM 472 OE1 GLN A 550 74.647 0.802 -16.878 1.00 0.00 O ATOM 473 NE2 GLN A 550 75.329 0.999 -14.798 1.00 0.00 N ATOM 0 H GLN A 550 70.437 -1.903 -15.853 1.00 0.00 H new ATOM 0 HA GLN A 550 70.518 0.475 -14.366 1.00 0.00 H new ATOM 0 HB2 GLN A 550 72.452 -0.996 -15.227 1.00 0.00 H new ATOM 0 HB3 GLN A 550 72.237 -0.231 -16.789 1.00 0.00 H new ATOM 0 HG2 GLN A 550 72.507 2.035 -15.648 1.00 0.00 H new ATOM 0 HG3 GLN A 550 72.876 1.193 -14.156 1.00 0.00 H new ATOM 0 HE21 GLN A 550 75.102 1.130 -13.812 1.00 0.00 H new ATOM 0 HE22 GLN A 550 76.302 0.898 -15.088 1.00 0.00 H new ATOM 482 N SER A 551 69.846 0.862 -17.590 1.00 0.00 N ATOM 483 CA SER A 551 69.314 1.803 -18.576 1.00 0.00 C ATOM 484 C SER A 551 67.926 2.312 -18.181 1.00 0.00 C ATOM 485 O SER A 551 67.646 3.505 -18.299 1.00 0.00 O ATOM 486 CB SER A 551 69.242 1.137 -19.952 1.00 0.00 C ATOM 487 OG SER A 551 70.524 0.624 -20.293 1.00 0.00 O ATOM 0 H SER A 551 70.026 -0.074 -17.953 1.00 0.00 H new ATOM 0 HA SER A 551 69.990 2.657 -18.614 1.00 0.00 H new ATOM 0 HB2 SER A 551 68.507 0.333 -19.941 1.00 0.00 H new ATOM 0 HB3 SER A 551 68.915 1.858 -20.701 1.00 0.00 H new ATOM 0 HG SER A 551 70.481 0.195 -21.173 1.00 0.00 H new ATOM 493 N ILE A 552 67.066 1.417 -17.688 1.00 0.00 N ATOM 494 CA ILE A 552 65.687 1.792 -17.350 1.00 0.00 C ATOM 495 C ILE A 552 65.670 2.830 -16.227 1.00 0.00 C ATOM 496 O ILE A 552 64.986 3.847 -16.326 1.00 0.00 O ATOM 497 CB ILE A 552 64.884 0.547 -16.924 1.00 0.00 C ATOM 498 CG1 ILE A 552 64.991 -0.526 -18.017 1.00 0.00 C ATOM 499 CG2 ILE A 552 63.404 0.924 -16.727 1.00 0.00 C ATOM 500 CD1 ILE A 552 64.416 -1.854 -17.515 1.00 0.00 C ATOM 0 H ILE A 552 67.295 0.438 -17.515 1.00 0.00 H new ATOM 0 HA ILE A 552 65.225 2.228 -18.236 1.00 0.00 H new ATOM 0 HB ILE A 552 65.287 0.162 -15.987 1.00 0.00 H new ATOM 0 HG12 ILE A 552 64.453 -0.202 -18.908 1.00 0.00 H new ATOM 0 HG13 ILE A 552 66.034 -0.659 -18.305 1.00 0.00 H new ATOM 0 HG21 ILE A 552 62.841 0.041 -16.426 1.00 0.00 H new ATOM 0 HG22 ILE A 552 63.323 1.687 -15.953 1.00 0.00 H new ATOM 0 HG23 ILE A 552 63.000 1.311 -17.662 1.00 0.00 H new ATOM 0 HD11 ILE A 552 64.498 -2.606 -18.300 1.00 0.00 H new ATOM 0 HD12 ILE A 552 64.973 -2.183 -16.638 1.00 0.00 H new ATOM 0 HD13 ILE A 552 63.367 -1.719 -17.250 1.00 0.00 H new ATOM 512 N LEU A 553 66.442 2.575 -15.171 1.00 0.00 N ATOM 513 CA LEU A 553 66.498 3.491 -14.026 1.00 0.00 C ATOM 514 C LEU A 553 66.950 4.887 -14.457 1.00 0.00 C ATOM 515 O LEU A 553 66.320 5.890 -14.112 1.00 0.00 O ATOM 516 CB LEU A 553 67.457 2.947 -12.964 1.00 0.00 C ATOM 517 CG LEU A 553 66.945 1.601 -12.444 1.00 0.00 C ATOM 518 CD1 LEU A 553 68.020 0.945 -11.578 1.00 0.00 C ATOM 519 CD2 LEU A 553 65.683 1.822 -11.605 1.00 0.00 C ATOM 0 H LEU A 553 67.034 1.749 -15.082 1.00 0.00 H new ATOM 0 HA LEU A 553 65.494 3.567 -13.608 1.00 0.00 H new ATOM 0 HB2 LEU A 553 68.454 2.828 -13.388 1.00 0.00 H new ATOM 0 HB3 LEU A 553 67.543 3.656 -12.141 1.00 0.00 H new ATOM 0 HG LEU A 553 66.712 0.953 -13.289 1.00 0.00 H new ATOM 0 HD11 LEU A 553 67.655 -0.013 -11.208 1.00 0.00 H new ATOM 0 HD12 LEU A 553 68.919 0.785 -12.173 1.00 0.00 H new ATOM 0 HD13 LEU A 553 68.254 1.594 -10.734 1.00 0.00 H new ATOM 0 HD21 LEU A 553 65.319 0.863 -11.235 1.00 0.00 H new ATOM 0 HD22 LEU A 553 65.916 2.471 -10.761 1.00 0.00 H new ATOM 0 HD23 LEU A 553 64.914 2.289 -12.220 1.00 0.00 H new ATOM 531 N GLN A 554 68.011 4.942 -15.266 1.00 0.00 N ATOM 532 CA GLN A 554 68.518 6.223 -15.761 1.00 0.00 C ATOM 533 C GLN A 554 67.427 6.976 -16.525 1.00 0.00 C ATOM 534 O GLN A 554 67.095 8.113 -16.189 1.00 0.00 O ATOM 535 CB GLN A 554 69.719 5.991 -16.682 1.00 0.00 C ATOM 536 CG GLN A 554 70.874 5.394 -15.875 1.00 0.00 C ATOM 537 CD GLN A 554 72.058 5.102 -16.792 1.00 0.00 C ATOM 538 OE1 GLN A 554 71.873 4.728 -17.950 1.00 0.00 O ATOM 539 NE2 GLN A 554 73.274 5.252 -16.339 1.00 0.00 N ATOM 0 H GLN A 554 68.530 4.125 -15.589 1.00 0.00 H new ATOM 0 HA GLN A 554 68.827 6.823 -14.905 1.00 0.00 H new ATOM 0 HB2 GLN A 554 69.443 5.318 -17.494 1.00 0.00 H new ATOM 0 HB3 GLN A 554 70.028 6.932 -17.138 1.00 0.00 H new ATOM 0 HG2 GLN A 554 71.175 6.087 -15.089 1.00 0.00 H new ATOM 0 HG3 GLN A 554 70.549 4.477 -15.384 1.00 0.00 H new ATOM 0 HE21 GLN A 554 73.426 5.562 -15.379 1.00 0.00 H new ATOM 0 HE22 GLN A 554 74.071 5.059 -16.945 1.00 0.00 H new ATOM 548 N GLN A 555 66.775 6.279 -17.453 1.00 0.00 N ATOM 549 CA GLN A 555 65.749 6.897 -18.294 1.00 0.00 C ATOM 550 C GLN A 555 64.600 7.451 -17.451 1.00 0.00 C ATOM 551 O GLN A 555 64.057 8.515 -17.753 1.00 0.00 O ATOM 552 CB GLN A 555 65.205 5.869 -19.289 1.00 0.00 C ATOM 553 CG GLN A 555 66.285 5.537 -20.320 1.00 0.00 C ATOM 554 CD GLN A 555 65.776 4.474 -21.289 1.00 0.00 C ATOM 555 OE1 GLN A 555 65.027 3.580 -20.895 1.00 0.00 O ATOM 556 NE2 GLN A 555 66.141 4.516 -22.541 1.00 0.00 N ATOM 0 H GLN A 555 66.937 5.290 -17.642 1.00 0.00 H new ATOM 0 HA GLN A 555 66.209 7.725 -18.833 1.00 0.00 H new ATOM 0 HB2 GLN A 555 64.899 4.965 -18.763 1.00 0.00 H new ATOM 0 HB3 GLN A 555 64.320 6.263 -19.788 1.00 0.00 H new ATOM 0 HG2 GLN A 555 66.564 6.437 -20.869 1.00 0.00 H new ATOM 0 HG3 GLN A 555 67.183 5.180 -19.815 1.00 0.00 H new ATOM 0 HE21 GLN A 555 66.762 5.257 -22.867 1.00 0.00 H new ATOM 0 HE22 GLN A 555 65.806 3.808 -23.194 1.00 0.00 H new ATOM 565 N ALA A 556 64.233 6.721 -16.394 1.00 0.00 N ATOM 566 CA ALA A 556 63.141 7.143 -15.515 1.00 0.00 C ATOM 567 C ALA A 556 63.454 8.477 -14.841 1.00 0.00 C ATOM 568 O ALA A 556 62.552 9.280 -14.600 1.00 0.00 O ATOM 569 CB ALA A 556 62.888 6.079 -14.444 1.00 0.00 C ATOM 0 H ALA A 556 64.673 5.840 -16.128 1.00 0.00 H new ATOM 0 HA ALA A 556 62.249 7.268 -16.129 1.00 0.00 H new ATOM 0 HB1 ALA A 556 62.074 6.402 -13.795 1.00 0.00 H new ATOM 0 HB2 ALA A 556 62.618 5.138 -14.923 1.00 0.00 H new ATOM 0 HB3 ALA A 556 63.791 5.938 -13.850 1.00 0.00 H new ATOM 575 N GLN A 557 64.732 8.707 -14.538 1.00 0.00 N ATOM 576 CA GLN A 557 65.151 9.980 -13.953 1.00 0.00 C ATOM 577 C GLN A 557 64.959 11.107 -14.966 1.00 0.00 C ATOM 578 O GLN A 557 64.487 12.192 -14.624 1.00 0.00 O ATOM 579 CB GLN A 557 66.625 9.906 -13.541 1.00 0.00 C ATOM 580 CG GLN A 557 66.977 11.114 -12.669 1.00 0.00 C ATOM 581 CD GLN A 557 66.348 10.961 -11.288 1.00 0.00 C ATOM 582 OE1 GLN A 557 66.630 9.994 -10.581 1.00 0.00 O ATOM 583 NE2 GLN A 557 65.508 11.863 -10.860 1.00 0.00 N ATOM 0 H GLN A 557 65.487 8.037 -14.686 1.00 0.00 H new ATOM 0 HA GLN A 557 64.541 10.181 -13.072 1.00 0.00 H new ATOM 0 HB2 GLN A 557 66.814 8.983 -12.994 1.00 0.00 H new ATOM 0 HB3 GLN A 557 67.260 9.887 -14.427 1.00 0.00 H new ATOM 0 HG2 GLN A 557 68.059 11.203 -12.577 1.00 0.00 H new ATOM 0 HG3 GLN A 557 66.621 12.030 -13.141 1.00 0.00 H new ATOM 0 HE21 GLN A 557 65.276 12.664 -11.448 1.00 0.00 H new ATOM 0 HE22 GLN A 557 65.083 11.768 -9.937 1.00 0.00 H new ATOM 592 N GLN A 558 65.335 10.831 -16.214 1.00 0.00 N ATOM 593 CA GLN A 558 65.147 11.791 -17.298 1.00 0.00 C ATOM 594 C GLN A 558 63.662 11.984 -17.608 1.00 0.00 C ATOM 595 O GLN A 558 63.235 13.085 -17.956 1.00 0.00 O ATOM 596 CB GLN A 558 65.871 11.308 -18.557 1.00 0.00 C ATOM 597 CG GLN A 558 67.379 11.272 -18.297 1.00 0.00 C ATOM 598 CD GLN A 558 68.112 10.758 -19.532 1.00 0.00 C ATOM 599 OE1 GLN A 558 67.599 9.898 -20.249 1.00 0.00 O ATOM 600 NE2 GLN A 558 69.290 11.237 -19.825 1.00 0.00 N ATOM 0 H GLN A 558 65.770 9.953 -16.498 1.00 0.00 H new ATOM 0 HA GLN A 558 65.564 12.746 -16.979 1.00 0.00 H new ATOM 0 HB2 GLN A 558 65.516 10.316 -18.836 1.00 0.00 H new ATOM 0 HB3 GLN A 558 65.651 11.972 -19.393 1.00 0.00 H new ATOM 0 HG2 GLN A 558 67.736 12.270 -18.042 1.00 0.00 H new ATOM 0 HG3 GLN A 558 67.593 10.629 -17.443 1.00 0.00 H new ATOM 0 HE21 GLN A 558 69.713 11.949 -19.230 1.00 0.00 H new ATOM 0 HE22 GLN A 558 69.787 10.899 -20.649 1.00 0.00 H new ATOM 609 N ASN A 559 62.882 10.909 -17.478 1.00 0.00 N ATOM 610 CA ASN A 559 61.459 10.961 -17.806 1.00 0.00 C ATOM 611 C ASN A 559 60.719 9.775 -17.172 1.00 0.00 C ATOM 612 O ASN A 559 61.037 8.622 -17.465 1.00 0.00 O ATOM 613 CB ASN A 559 61.278 10.925 -19.324 1.00 0.00 C ATOM 614 CG ASN A 559 59.948 11.565 -19.709 1.00 0.00 C ATOM 615 OD1 ASN A 559 58.886 11.040 -19.377 1.00 0.00 O ATOM 616 ND2 ASN A 559 59.944 12.676 -20.395 1.00 0.00 N ATOM 0 H ASN A 559 63.209 10.000 -17.151 1.00 0.00 H new ATOM 0 HA ASN A 559 61.043 11.888 -17.410 1.00 0.00 H new ATOM 0 HB2 ASN A 559 62.099 11.454 -19.808 1.00 0.00 H new ATOM 0 HB3 ASN A 559 61.310 9.894 -19.677 1.00 0.00 H new ATOM 0 HD21 ASN A 559 59.059 13.111 -20.657 1.00 0.00 H new ATOM 0 HD22 ASN A 559 60.826 13.109 -20.669 1.00 0.00 H new ATOM 623 N PRO A 560 59.713 10.028 -16.356 1.00 0.00 N ATOM 624 CA PRO A 560 59.101 8.955 -15.504 1.00 0.00 C ATOM 625 C PRO A 560 58.392 7.870 -16.325 1.00 0.00 C ATOM 626 O PRO A 560 58.160 6.767 -15.828 1.00 0.00 O ATOM 627 CB PRO A 560 58.103 9.707 -14.620 1.00 0.00 C ATOM 628 CG PRO A 560 57.746 10.932 -15.387 1.00 0.00 C ATOM 629 CD PRO A 560 58.978 11.302 -16.209 1.00 0.00 C ATOM 0 HA PRO A 560 59.862 8.417 -14.938 1.00 0.00 H new ATOM 0 HB2 PRO A 560 57.221 9.099 -14.417 1.00 0.00 H new ATOM 0 HB3 PRO A 560 58.544 9.961 -13.656 1.00 0.00 H new ATOM 0 HG2 PRO A 560 56.888 10.748 -16.034 1.00 0.00 H new ATOM 0 HG3 PRO A 560 57.470 11.744 -14.715 1.00 0.00 H new ATOM 0 HD2 PRO A 560 58.700 11.715 -17.179 1.00 0.00 H new ATOM 0 HD3 PRO A 560 59.583 12.054 -15.703 1.00 0.00 H new ATOM 637 N ALA A 561 58.055 8.188 -17.575 1.00 0.00 N ATOM 638 CA ALA A 561 57.324 7.250 -18.430 1.00 0.00 C ATOM 639 C ALA A 561 58.186 6.040 -18.811 1.00 0.00 C ATOM 640 O ALA A 561 57.656 4.974 -19.138 1.00 0.00 O ATOM 641 CB ALA A 561 56.856 7.959 -19.702 1.00 0.00 C ATOM 0 H ALA A 561 58.274 9.081 -18.016 1.00 0.00 H new ATOM 0 HA ALA A 561 56.464 6.891 -17.865 1.00 0.00 H new ATOM 0 HB1 ALA A 561 56.313 7.255 -20.332 1.00 0.00 H new ATOM 0 HB2 ALA A 561 56.200 8.788 -19.436 1.00 0.00 H new ATOM 0 HB3 ALA A 561 57.721 8.340 -20.245 1.00 0.00 H new ATOM 647 N ALA A 562 59.511 6.193 -18.735 1.00 0.00 N ATOM 648 CA ALA A 562 60.420 5.193 -19.295 1.00 0.00 C ATOM 649 C ALA A 562 60.276 3.854 -18.575 1.00 0.00 C ATOM 650 O ALA A 562 60.030 2.821 -19.207 1.00 0.00 O ATOM 651 CB ALA A 562 61.867 5.681 -19.179 1.00 0.00 C ATOM 0 H ALA A 562 59.972 6.990 -18.297 1.00 0.00 H new ATOM 0 HA ALA A 562 60.161 5.051 -20.344 1.00 0.00 H new ATOM 0 HB1 ALA A 562 62.538 4.931 -19.598 1.00 0.00 H new ATOM 0 HB2 ALA A 562 61.980 6.617 -19.727 1.00 0.00 H new ATOM 0 HB3 ALA A 562 62.113 5.843 -18.130 1.00 0.00 H new ATOM 657 N LEU A 563 60.367 3.877 -17.248 1.00 0.00 N ATOM 658 CA LEU A 563 60.338 2.634 -16.482 1.00 0.00 C ATOM 659 C LEU A 563 58.957 1.980 -16.547 1.00 0.00 C ATOM 660 O LEU A 563 58.841 0.757 -16.468 1.00 0.00 O ATOM 661 CB LEU A 563 60.781 2.853 -15.018 1.00 0.00 C ATOM 662 CG LEU A 563 60.082 4.052 -14.351 1.00 0.00 C ATOM 663 CD1 LEU A 563 58.597 3.750 -14.102 1.00 0.00 C ATOM 664 CD2 LEU A 563 60.779 4.339 -13.017 1.00 0.00 C ATOM 0 H LEU A 563 60.460 4.725 -16.689 1.00 0.00 H new ATOM 0 HA LEU A 563 61.056 1.954 -16.940 1.00 0.00 H new ATOM 0 HB2 LEU A 563 60.572 1.951 -14.442 1.00 0.00 H new ATOM 0 HB3 LEU A 563 61.860 3.007 -14.990 1.00 0.00 H new ATOM 0 HG LEU A 563 60.146 4.918 -15.010 1.00 0.00 H new ATOM 0 HD11 LEU A 563 58.125 4.612 -13.630 1.00 0.00 H new ATOM 0 HD12 LEU A 563 58.104 3.541 -15.051 1.00 0.00 H new ATOM 0 HD13 LEU A 563 58.507 2.883 -13.447 1.00 0.00 H new ATOM 0 HD21 LEU A 563 60.297 5.186 -12.530 1.00 0.00 H new ATOM 0 HD22 LEU A 563 60.709 3.462 -12.374 1.00 0.00 H new ATOM 0 HD23 LEU A 563 61.828 4.573 -13.198 1.00 0.00 H new ATOM 676 N GLN A 564 57.909 2.796 -16.711 1.00 0.00 N ATOM 677 CA GLN A 564 56.541 2.272 -16.760 1.00 0.00 C ATOM 678 C GLN A 564 56.368 1.323 -17.944 1.00 0.00 C ATOM 679 O GLN A 564 56.074 0.139 -17.757 1.00 0.00 O ATOM 680 CB GLN A 564 55.544 3.428 -16.885 1.00 0.00 C ATOM 681 CG GLN A 564 54.128 2.918 -16.602 1.00 0.00 C ATOM 682 CD GLN A 564 53.125 4.066 -16.695 1.00 0.00 C ATOM 683 OE1 GLN A 564 53.466 5.219 -16.426 1.00 0.00 O ATOM 684 NE2 GLN A 564 51.898 3.817 -17.062 1.00 0.00 N ATOM 0 H GLN A 564 57.981 3.809 -16.811 1.00 0.00 H new ATOM 0 HA GLN A 564 56.352 1.722 -15.838 1.00 0.00 H new ATOM 0 HB2 GLN A 564 55.802 4.222 -16.184 1.00 0.00 H new ATOM 0 HB3 GLN A 564 55.593 3.858 -17.886 1.00 0.00 H new ATOM 0 HG2 GLN A 564 53.865 2.137 -17.316 1.00 0.00 H new ATOM 0 HG3 GLN A 564 54.087 2.469 -15.610 1.00 0.00 H new ATOM 0 HE21 GLN A 564 51.616 2.862 -17.285 1.00 0.00 H new ATOM 0 HE22 GLN A 564 51.221 4.577 -17.126 1.00 0.00 H new ATOM 693 N GLU A 565 56.720 1.795 -19.141 1.00 0.00 N ATOM 694 CA GLU A 565 56.584 0.976 -20.349 1.00 0.00 C ATOM 695 C GLU A 565 57.449 -0.285 -20.253 1.00 0.00 C ATOM 696 O GLU A 565 57.133 -1.313 -20.855 1.00 0.00 O ATOM 697 CB GLU A 565 56.977 1.786 -21.589 1.00 0.00 C ATOM 698 CG GLU A 565 58.402 2.330 -21.440 1.00 0.00 C ATOM 699 CD GLU A 565 58.923 2.806 -22.791 1.00 0.00 C ATOM 700 OE1 GLU A 565 58.302 3.684 -23.368 1.00 0.00 O ATOM 701 OE2 GLU A 565 59.934 2.284 -23.232 1.00 0.00 O ATOM 0 H GLU A 565 57.097 2.729 -19.301 1.00 0.00 H new ATOM 0 HA GLU A 565 55.540 0.674 -20.438 1.00 0.00 H new ATOM 0 HB2 GLU A 565 56.911 1.158 -22.478 1.00 0.00 H new ATOM 0 HB3 GLU A 565 56.278 2.611 -21.729 1.00 0.00 H new ATOM 0 HG2 GLU A 565 58.413 3.154 -20.726 1.00 0.00 H new ATOM 0 HG3 GLU A 565 59.056 1.555 -21.042 1.00 0.00 H new ATOM 708 N HIS A 566 58.540 -0.190 -19.494 1.00 0.00 N ATOM 709 CA HIS A 566 59.404 -1.343 -19.254 1.00 0.00 C ATOM 710 C HIS A 566 58.683 -2.404 -18.422 1.00 0.00 C ATOM 711 O HIS A 566 58.686 -3.582 -18.775 1.00 0.00 O ATOM 712 CB HIS A 566 60.679 -0.897 -18.538 1.00 0.00 C ATOM 713 CG HIS A 566 61.746 -0.431 -19.490 1.00 0.00 C ATOM 714 ND1 HIS A 566 62.042 0.912 -19.668 1.00 0.00 N ATOM 715 CD2 HIS A 566 62.580 -1.114 -20.341 1.00 0.00 C ATOM 716 CE1 HIS A 566 63.013 0.995 -20.595 1.00 0.00 C ATOM 717 NE2 HIS A 566 63.378 -0.212 -21.038 1.00 0.00 N ATOM 0 H HIS A 566 58.845 0.669 -19.037 1.00 0.00 H new ATOM 0 HA HIS A 566 59.664 -1.783 -20.217 1.00 0.00 H new ATOM 0 HB2 HIS A 566 60.439 -0.091 -17.845 1.00 0.00 H new ATOM 0 HB3 HIS A 566 61.065 -1.724 -17.943 1.00 0.00 H new ATOM 0 HD1 HIS A 566 61.603 1.695 -19.184 1.00 0.00 H new ATOM 0 HD2 HIS A 566 62.612 -2.188 -20.452 1.00 0.00 H new ATOM 0 HE1 HIS A 566 63.445 1.923 -20.939 1.00 0.00 H new ATOM 725 N MET A 567 58.018 -1.973 -17.350 1.00 0.00 N ATOM 726 CA MET A 567 57.368 -2.905 -16.427 1.00 0.00 C ATOM 727 C MET A 567 56.260 -3.691 -17.131 1.00 0.00 C ATOM 728 O MET A 567 56.017 -4.854 -16.807 1.00 0.00 O ATOM 729 CB MET A 567 56.774 -2.135 -15.243 1.00 0.00 C ATOM 730 CG MET A 567 56.399 -3.114 -14.129 1.00 0.00 C ATOM 731 SD MET A 567 55.625 -2.209 -12.765 1.00 0.00 S ATOM 732 CE MET A 567 55.464 -3.607 -11.627 1.00 0.00 C ATOM 0 H MET A 567 57.915 -0.990 -17.100 1.00 0.00 H new ATOM 0 HA MET A 567 58.119 -3.609 -16.069 1.00 0.00 H new ATOM 0 HB2 MET A 567 57.494 -1.406 -14.872 1.00 0.00 H new ATOM 0 HB3 MET A 567 55.893 -1.579 -15.563 1.00 0.00 H new ATOM 0 HG2 MET A 567 55.715 -3.872 -14.511 1.00 0.00 H new ATOM 0 HG3 MET A 567 57.288 -3.636 -13.775 1.00 0.00 H new ATOM 0 HE1 MET A 567 55.000 -3.270 -10.700 1.00 0.00 H new ATOM 0 HE2 MET A 567 54.843 -4.378 -12.083 1.00 0.00 H new ATOM 0 HE3 MET A 567 56.451 -4.016 -11.411 1.00 0.00 H new ATOM 742 N LYS A 568 55.608 -3.059 -18.109 1.00 0.00 N ATOM 743 CA LYS A 568 54.533 -3.720 -18.850 1.00 0.00 C ATOM 744 C LYS A 568 55.089 -4.864 -19.699 1.00 0.00 C ATOM 745 O LYS A 568 54.421 -5.880 -19.899 1.00 0.00 O ATOM 746 CB LYS A 568 53.816 -2.711 -19.751 1.00 0.00 C ATOM 747 CG LYS A 568 53.115 -1.661 -18.886 1.00 0.00 C ATOM 748 CD LYS A 568 52.308 -0.719 -19.781 1.00 0.00 C ATOM 749 CE LYS A 568 51.691 0.392 -18.929 1.00 0.00 C ATOM 750 NZ LYS A 568 51.083 1.421 -19.818 1.00 0.00 N ATOM 0 H LYS A 568 55.802 -2.102 -18.403 1.00 0.00 H new ATOM 0 HA LYS A 568 53.823 -4.129 -18.131 1.00 0.00 H new ATOM 0 HB2 LYS A 568 54.532 -2.230 -20.417 1.00 0.00 H new ATOM 0 HB3 LYS A 568 53.089 -3.223 -20.381 1.00 0.00 H new ATOM 0 HG2 LYS A 568 52.457 -2.148 -18.166 1.00 0.00 H new ATOM 0 HG3 LYS A 568 53.851 -1.095 -18.314 1.00 0.00 H new ATOM 0 HD2 LYS A 568 52.952 -0.288 -20.548 1.00 0.00 H new ATOM 0 HD3 LYS A 568 51.524 -1.273 -20.297 1.00 0.00 H new ATOM 0 HE2 LYS A 568 50.933 -0.023 -18.264 1.00 0.00 H new ATOM 0 HE3 LYS A 568 52.454 0.847 -18.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 50.664 2.176 -19.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 51.817 1.825 -20.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 50.343 0.982 -20.402 1.00 0.00 H new ATOM 764 N ASN A 569 56.315 -4.689 -20.197 1.00 0.00 N ATOM 765 CA ASN A 569 56.988 -5.737 -20.970 1.00 0.00 C ATOM 766 C ASN A 569 57.270 -6.961 -20.084 1.00 0.00 C ATOM 767 O ASN A 569 57.724 -6.808 -18.949 1.00 0.00 O ATOM 768 CB ASN A 569 58.307 -5.190 -21.532 1.00 0.00 C ATOM 769 CG ASN A 569 58.651 -5.879 -22.850 1.00 0.00 C ATOM 770 OD1 ASN A 569 57.867 -5.832 -23.799 1.00 0.00 O ATOM 771 ND2 ASN A 569 59.782 -6.519 -22.965 1.00 0.00 N ATOM 0 H ASN A 569 56.861 -3.835 -20.080 1.00 0.00 H new ATOM 0 HA ASN A 569 56.339 -6.043 -21.790 1.00 0.00 H new ATOM 0 HB2 ASN A 569 58.225 -4.114 -21.687 1.00 0.00 H new ATOM 0 HB3 ASN A 569 59.110 -5.348 -20.812 1.00 0.00 H new ATOM 0 HD21 ASN A 569 60.019 -6.982 -23.842 1.00 0.00 H new ATOM 0 HD22 ASN A 569 60.429 -6.556 -22.178 1.00 0.00 H new ATOM 778 N PRO A 570 57.022 -8.161 -20.574 1.00 0.00 N ATOM 779 CA PRO A 570 57.045 -9.385 -19.709 1.00 0.00 C ATOM 780 C PRO A 570 58.439 -9.695 -19.164 1.00 0.00 C ATOM 781 O PRO A 570 58.594 -10.008 -17.981 1.00 0.00 O ATOM 782 CB PRO A 570 56.551 -10.507 -20.627 1.00 0.00 C ATOM 783 CG PRO A 570 56.825 -10.036 -22.014 1.00 0.00 C ATOM 784 CD PRO A 570 56.733 -8.513 -21.981 1.00 0.00 C ATOM 0 HA PRO A 570 56.424 -9.256 -18.822 1.00 0.00 H new ATOM 0 HB2 PRO A 570 57.072 -11.442 -20.420 1.00 0.00 H new ATOM 0 HB3 PRO A 570 55.488 -10.695 -20.479 1.00 0.00 H new ATOM 0 HG2 PRO A 570 57.812 -10.358 -22.345 1.00 0.00 H new ATOM 0 HG3 PRO A 570 56.102 -10.453 -22.715 1.00 0.00 H new ATOM 0 HD2 PRO A 570 57.452 -8.056 -22.661 1.00 0.00 H new ATOM 0 HD3 PRO A 570 55.744 -8.167 -22.283 1.00 0.00 H new ATOM 792 N GLU A 571 59.459 -9.560 -20.013 1.00 0.00 N ATOM 793 CA GLU A 571 60.821 -9.916 -19.617 1.00 0.00 C ATOM 794 C GLU A 571 61.327 -8.936 -18.564 1.00 0.00 C ATOM 795 O GLU A 571 61.861 -9.336 -17.523 1.00 0.00 O ATOM 796 CB GLU A 571 61.748 -9.897 -20.837 1.00 0.00 C ATOM 797 CG GLU A 571 63.089 -10.537 -20.475 1.00 0.00 C ATOM 798 CD GLU A 571 64.057 -10.420 -21.647 1.00 0.00 C ATOM 799 OE1 GLU A 571 63.775 -11.000 -22.683 1.00 0.00 O ATOM 800 OE2 GLU A 571 65.065 -9.750 -21.493 1.00 0.00 O ATOM 0 H GLU A 571 59.370 -9.211 -20.967 1.00 0.00 H new ATOM 0 HA GLU A 571 60.815 -10.921 -19.196 1.00 0.00 H new ATOM 0 HB2 GLU A 571 61.288 -10.437 -21.664 1.00 0.00 H new ATOM 0 HB3 GLU A 571 61.902 -8.872 -21.173 1.00 0.00 H new ATOM 0 HG2 GLU A 571 63.509 -10.048 -19.596 1.00 0.00 H new ATOM 0 HG3 GLU A 571 62.943 -11.586 -20.217 1.00 0.00 H new ATOM 807 N VAL A 572 61.066 -7.654 -18.794 1.00 0.00 N ATOM 808 CA VAL A 572 61.452 -6.630 -17.836 1.00 0.00 C ATOM 809 C VAL A 572 60.546 -6.706 -16.607 1.00 0.00 C ATOM 810 O VAL A 572 60.993 -6.465 -15.493 1.00 0.00 O ATOM 811 CB VAL A 572 61.376 -5.238 -18.477 1.00 0.00 C ATOM 812 CG1 VAL A 572 61.846 -4.173 -17.476 1.00 0.00 C ATOM 813 CG2 VAL A 572 62.280 -5.197 -19.712 1.00 0.00 C ATOM 0 H VAL A 572 60.594 -7.303 -19.627 1.00 0.00 H new ATOM 0 HA VAL A 572 62.483 -6.804 -17.527 1.00 0.00 H new ATOM 0 HB VAL A 572 60.344 -5.034 -18.764 1.00 0.00 H new ATOM 0 HG11 VAL A 572 61.789 -3.188 -17.939 1.00 0.00 H new ATOM 0 HG12 VAL A 572 61.207 -4.196 -16.593 1.00 0.00 H new ATOM 0 HG13 VAL A 572 62.876 -4.377 -17.184 1.00 0.00 H new ATOM 0 HG21 VAL A 572 62.227 -4.209 -20.169 1.00 0.00 H new ATOM 0 HG22 VAL A 572 63.308 -5.406 -19.417 1.00 0.00 H new ATOM 0 HG23 VAL A 572 61.949 -5.947 -20.430 1.00 0.00 H new ATOM 823 N PHE A 573 59.281 -7.089 -16.810 1.00 0.00 N ATOM 824 CA PHE A 573 58.326 -7.195 -15.700 1.00 0.00 C ATOM 825 C PHE A 573 58.884 -8.085 -14.585 1.00 0.00 C ATOM 826 O PHE A 573 58.870 -7.703 -13.415 1.00 0.00 O ATOM 827 CB PHE A 573 57.000 -7.773 -16.217 1.00 0.00 C ATOM 828 CG PHE A 573 55.945 -7.978 -15.149 1.00 0.00 C ATOM 829 CD1 PHE A 573 55.322 -6.861 -14.540 1.00 0.00 C ATOM 830 CD2 PHE A 573 55.576 -9.290 -14.766 1.00 0.00 C ATOM 831 CE1 PHE A 573 54.331 -7.058 -13.547 1.00 0.00 C ATOM 832 CE2 PHE A 573 54.586 -9.486 -13.773 1.00 0.00 C ATOM 833 CZ PHE A 573 53.963 -8.370 -13.164 1.00 0.00 C ATOM 0 H PHE A 573 58.896 -7.329 -17.724 1.00 0.00 H new ATOM 0 HA PHE A 573 58.156 -6.200 -15.290 1.00 0.00 H new ATOM 0 HB2 PHE A 573 56.601 -7.106 -16.981 1.00 0.00 H new ATOM 0 HB3 PHE A 573 57.199 -8.729 -16.701 1.00 0.00 H new ATOM 0 HD1 PHE A 573 55.602 -5.860 -14.833 1.00 0.00 H new ATOM 0 HD2 PHE A 573 56.050 -10.142 -15.231 1.00 0.00 H new ATOM 0 HE1 PHE A 573 53.856 -6.207 -13.082 1.00 0.00 H new ATOM 0 HE2 PHE A 573 54.306 -10.487 -13.480 1.00 0.00 H new ATOM 0 HZ PHE A 573 53.207 -8.520 -12.407 1.00 0.00 H new ATOM 843 N LYS A 574 59.434 -9.240 -14.963 1.00 0.00 N ATOM 844 CA LYS A 574 60.063 -10.138 -13.991 1.00 0.00 C ATOM 845 C LYS A 574 61.237 -9.451 -13.289 1.00 0.00 C ATOM 846 O LYS A 574 61.344 -9.480 -12.062 1.00 0.00 O ATOM 847 CB LYS A 574 60.567 -11.399 -14.697 1.00 0.00 C ATOM 848 CG LYS A 574 59.378 -12.168 -15.281 1.00 0.00 C ATOM 849 CD LYS A 574 59.844 -13.545 -15.761 1.00 0.00 C ATOM 850 CE LYS A 574 60.698 -13.389 -17.020 1.00 0.00 C ATOM 851 NZ LYS A 574 61.086 -14.736 -17.528 1.00 0.00 N ATOM 0 H LYS A 574 59.457 -9.574 -15.926 1.00 0.00 H new ATOM 0 HA LYS A 574 59.315 -10.405 -13.244 1.00 0.00 H new ATOM 0 HB2 LYS A 574 61.265 -11.130 -15.490 1.00 0.00 H new ATOM 0 HB3 LYS A 574 61.111 -12.029 -13.994 1.00 0.00 H new ATOM 0 HG2 LYS A 574 58.598 -12.279 -14.528 1.00 0.00 H new ATOM 0 HG3 LYS A 574 58.943 -11.610 -16.110 1.00 0.00 H new ATOM 0 HD2 LYS A 574 60.420 -14.038 -14.978 1.00 0.00 H new ATOM 0 HD3 LYS A 574 58.982 -14.179 -15.970 1.00 0.00 H new ATOM 0 HE2 LYS A 574 60.142 -12.847 -17.785 1.00 0.00 H new ATOM 0 HE3 LYS A 574 61.589 -12.802 -16.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 574 61.667 -14.630 -18.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 574 61.632 -15.238 -16.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 574 60.230 -15.281 -17.756 1.00 0.00 H new ATOM 865 N LYS A 575 62.081 -8.781 -14.076 1.00 0.00 N ATOM 866 CA LYS A 575 63.296 -8.161 -13.541 1.00 0.00 C ATOM 867 C LYS A 575 62.963 -7.028 -12.566 1.00 0.00 C ATOM 868 O LYS A 575 63.404 -7.029 -11.410 1.00 0.00 O ATOM 869 CB LYS A 575 64.136 -7.603 -14.688 1.00 0.00 C ATOM 870 CG LYS A 575 64.698 -8.756 -15.524 1.00 0.00 C ATOM 871 CD LYS A 575 65.730 -8.215 -16.515 1.00 0.00 C ATOM 872 CE LYS A 575 66.284 -9.366 -17.355 1.00 0.00 C ATOM 873 NZ LYS A 575 67.261 -8.833 -18.345 1.00 0.00 N ATOM 0 H LYS A 575 61.948 -8.654 -15.079 1.00 0.00 H new ATOM 0 HA LYS A 575 63.854 -8.927 -13.002 1.00 0.00 H new ATOM 0 HB2 LYS A 575 63.527 -6.950 -15.314 1.00 0.00 H new ATOM 0 HB3 LYS A 575 64.951 -6.996 -14.293 1.00 0.00 H new ATOM 0 HG2 LYS A 575 65.158 -9.500 -14.874 1.00 0.00 H new ATOM 0 HG3 LYS A 575 63.892 -9.257 -16.060 1.00 0.00 H new ATOM 0 HD2 LYS A 575 65.271 -7.467 -17.162 1.00 0.00 H new ATOM 0 HD3 LYS A 575 66.540 -7.720 -15.979 1.00 0.00 H new ATOM 0 HE2 LYS A 575 66.767 -10.101 -16.711 1.00 0.00 H new ATOM 0 HE3 LYS A 575 65.471 -9.879 -17.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 575 66.846 -8.871 -19.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 575 67.493 -7.848 -18.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 575 68.127 -9.408 -18.322 1.00 0.00 H new ATOM 887 N ILE A 576 62.152 -6.082 -13.032 1.00 0.00 N ATOM 888 CA ILE A 576 61.790 -4.907 -12.232 1.00 0.00 C ATOM 889 C ILE A 576 61.134 -5.344 -10.911 1.00 0.00 C ATOM 890 O ILE A 576 61.503 -4.866 -9.836 1.00 0.00 O ATOM 891 CB ILE A 576 60.832 -3.996 -13.032 1.00 0.00 C ATOM 892 CG1 ILE A 576 61.473 -3.600 -14.385 1.00 0.00 C ATOM 893 CG2 ILE A 576 60.499 -2.734 -12.222 1.00 0.00 C ATOM 894 CD1 ILE A 576 62.677 -2.669 -14.189 1.00 0.00 C ATOM 0 H ILE A 576 61.731 -6.103 -13.961 1.00 0.00 H new ATOM 0 HA ILE A 576 62.695 -4.346 -12.001 1.00 0.00 H new ATOM 0 HB ILE A 576 59.911 -4.546 -13.225 1.00 0.00 H new ATOM 0 HG12 ILE A 576 61.790 -4.498 -14.915 1.00 0.00 H new ATOM 0 HG13 ILE A 576 60.729 -3.107 -15.010 1.00 0.00 H new ATOM 0 HG21 ILE A 576 59.823 -2.101 -12.797 1.00 0.00 H new ATOM 0 HG22 ILE A 576 60.020 -3.019 -11.285 1.00 0.00 H new ATOM 0 HG23 ILE A 576 61.417 -2.186 -12.009 1.00 0.00 H new ATOM 0 HD11 ILE A 576 63.101 -2.413 -15.160 1.00 0.00 H new ATOM 0 HD12 ILE A 576 62.355 -1.759 -13.682 1.00 0.00 H new ATOM 0 HD13 ILE A 576 63.432 -3.173 -13.585 1.00 0.00 H new ATOM 906 N GLN A 577 60.217 -6.310 -10.995 1.00 0.00 N ATOM 907 CA GLN A 577 59.504 -6.793 -9.808 1.00 0.00 C ATOM 908 C GLN A 577 60.466 -7.332 -8.746 1.00 0.00 C ATOM 909 O GLN A 577 60.335 -7.011 -7.566 1.00 0.00 O ATOM 910 CB GLN A 577 58.523 -7.901 -10.199 1.00 0.00 C ATOM 911 CG GLN A 577 57.266 -7.282 -10.816 1.00 0.00 C ATOM 912 CD GLN A 577 56.189 -8.349 -10.979 1.00 0.00 C ATOM 913 OE1 GLN A 577 55.043 -8.141 -10.581 1.00 0.00 O ATOM 914 NE2 GLN A 577 56.490 -9.489 -11.541 1.00 0.00 N ATOM 0 H GLN A 577 59.951 -6.771 -11.865 1.00 0.00 H new ATOM 0 HA GLN A 577 58.966 -5.944 -9.386 1.00 0.00 H new ATOM 0 HB2 GLN A 577 58.992 -8.581 -10.910 1.00 0.00 H new ATOM 0 HB3 GLN A 577 58.257 -8.491 -9.322 1.00 0.00 H new ATOM 0 HG2 GLN A 577 56.898 -6.476 -10.182 1.00 0.00 H new ATOM 0 HG3 GLN A 577 57.504 -6.842 -11.785 1.00 0.00 H new ATOM 0 HE21 GLN A 577 57.440 -9.660 -11.870 1.00 0.00 H new ATOM 0 HE22 GLN A 577 55.775 -10.208 -11.651 1.00 0.00 H new ATOM 923 N THR A 578 61.439 -8.143 -9.174 1.00 0.00 N ATOM 924 CA THR A 578 62.332 -8.825 -8.234 1.00 0.00 C ATOM 925 C THR A 578 63.032 -7.831 -7.304 1.00 0.00 C ATOM 926 O THR A 578 62.965 -7.971 -6.082 1.00 0.00 O ATOM 927 CB THR A 578 63.381 -9.646 -8.998 1.00 0.00 C ATOM 928 OG1 THR A 578 62.730 -10.445 -9.975 1.00 0.00 O ATOM 929 CG2 THR A 578 64.153 -10.553 -8.029 1.00 0.00 C ATOM 0 H THR A 578 61.627 -8.342 -10.157 1.00 0.00 H new ATOM 0 HA THR A 578 61.722 -9.491 -7.624 1.00 0.00 H new ATOM 0 HB THR A 578 64.083 -8.966 -9.482 1.00 0.00 H new ATOM 0 HG1 THR A 578 62.515 -9.895 -10.757 1.00 0.00 H new ATOM 0 HG21 THR A 578 64.894 -11.130 -8.583 1.00 0.00 H new ATOM 0 HG22 THR A 578 64.656 -9.941 -7.280 1.00 0.00 H new ATOM 0 HG23 THR A 578 63.458 -11.233 -7.535 1.00 0.00 H new ATOM 937 N LEU A 579 63.651 -6.800 -7.875 1.00 0.00 N ATOM 938 CA LEU A 579 64.449 -5.880 -7.058 1.00 0.00 C ATOM 939 C LEU A 579 63.566 -5.045 -6.132 1.00 0.00 C ATOM 940 O LEU A 579 63.968 -4.724 -5.013 1.00 0.00 O ATOM 941 CB LEU A 579 65.302 -4.951 -7.933 1.00 0.00 C ATOM 942 CG LEU A 579 66.163 -5.760 -8.923 1.00 0.00 C ATOM 943 CD1 LEU A 579 67.168 -4.819 -9.587 1.00 0.00 C ATOM 944 CD2 LEU A 579 66.930 -6.878 -8.197 1.00 0.00 C ATOM 0 H LEU A 579 63.620 -6.581 -8.871 1.00 0.00 H new ATOM 0 HA LEU A 579 65.112 -6.494 -6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 579 64.655 -4.268 -8.483 1.00 0.00 H new ATOM 0 HB3 LEU A 579 65.946 -4.340 -7.300 1.00 0.00 H new ATOM 0 HG LEU A 579 65.508 -6.213 -9.668 1.00 0.00 H new ATOM 0 HD11 LEU A 579 67.783 -5.381 -10.290 1.00 0.00 H new ATOM 0 HD12 LEU A 579 66.633 -4.033 -10.120 1.00 0.00 H new ATOM 0 HD13 LEU A 579 67.806 -4.371 -8.825 1.00 0.00 H new ATOM 0 HD21 LEU A 579 67.530 -7.434 -8.917 1.00 0.00 H new ATOM 0 HD22 LEU A 579 67.583 -6.440 -7.442 1.00 0.00 H new ATOM 0 HD23 LEU A 579 66.221 -7.553 -7.717 1.00 0.00 H new ATOM 956 N ILE A 580 62.363 -4.692 -6.596 1.00 0.00 N ATOM 957 CA ILE A 580 61.443 -3.890 -5.782 1.00 0.00 C ATOM 958 C ILE A 580 60.988 -4.681 -4.549 1.00 0.00 C ATOM 959 O ILE A 580 61.025 -4.173 -3.428 1.00 0.00 O ATOM 960 CB ILE A 580 60.227 -3.470 -6.624 1.00 0.00 C ATOM 961 CG1 ILE A 580 60.708 -2.659 -7.833 1.00 0.00 C ATOM 962 CG2 ILE A 580 59.281 -2.600 -5.785 1.00 0.00 C ATOM 963 CD1 ILE A 580 59.549 -2.448 -8.810 1.00 0.00 C ATOM 0 H ILE A 580 62.007 -4.944 -7.518 1.00 0.00 H new ATOM 0 HA ILE A 580 61.965 -2.995 -5.443 1.00 0.00 H new ATOM 0 HB ILE A 580 59.697 -4.363 -6.956 1.00 0.00 H new ATOM 0 HG12 ILE A 580 61.099 -1.696 -7.504 1.00 0.00 H new ATOM 0 HG13 ILE A 580 61.525 -3.181 -8.331 1.00 0.00 H new ATOM 0 HG21 ILE A 580 58.423 -2.308 -6.390 1.00 0.00 H new ATOM 0 HG22 ILE A 580 58.938 -3.166 -4.919 1.00 0.00 H new ATOM 0 HG23 ILE A 580 59.809 -1.708 -5.449 1.00 0.00 H new ATOM 0 HD11 ILE A 580 59.896 -1.871 -9.667 1.00 0.00 H new ATOM 0 HD12 ILE A 580 59.179 -3.415 -9.149 1.00 0.00 H new ATOM 0 HD13 ILE A 580 58.746 -1.907 -8.310 1.00 0.00 H new ATOM 975 N ALA A 581 60.561 -5.926 -4.770 1.00 0.00 N ATOM 976 CA ALA A 581 60.157 -6.807 -3.671 1.00 0.00 C ATOM 977 C ALA A 581 61.311 -7.026 -2.689 1.00 0.00 C ATOM 978 O ALA A 581 61.093 -7.223 -1.492 1.00 0.00 O ATOM 979 CB ALA A 581 59.700 -8.158 -4.226 1.00 0.00 C ATOM 0 H ALA A 581 60.486 -6.346 -5.696 1.00 0.00 H new ATOM 0 HA ALA A 581 59.334 -6.329 -3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 581 59.401 -8.807 -3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 581 58.853 -8.009 -4.896 1.00 0.00 H new ATOM 0 HB3 ALA A 581 60.519 -8.622 -4.775 1.00 0.00 H new ATOM 985 N ALA A 582 62.538 -6.992 -3.211 1.00 0.00 N ATOM 986 CA ALA A 582 63.729 -7.115 -2.375 1.00 0.00 C ATOM 987 C ALA A 582 64.003 -5.830 -1.577 1.00 0.00 C ATOM 988 O ALA A 582 64.898 -5.812 -0.729 1.00 0.00 O ATOM 989 CB ALA A 582 64.941 -7.442 -3.250 1.00 0.00 C ATOM 0 H ALA A 582 62.731 -6.881 -4.206 1.00 0.00 H new ATOM 0 HA ALA A 582 63.553 -7.920 -1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 582 65.828 -7.533 -2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 582 64.769 -8.382 -3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 582 65.091 -6.644 -3.977 1.00 0.00 H new ATOM 995 N GLY A 583 63.240 -4.761 -1.842 1.00 0.00 N ATOM 996 CA GLY A 583 63.432 -3.499 -1.130 1.00 0.00 C ATOM 997 C GLY A 583 64.725 -2.802 -1.552 1.00 0.00 C ATOM 998 O GLY A 583 65.291 -2.021 -0.786 1.00 0.00 O ATOM 0 H GLY A 583 62.493 -4.748 -2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 583 62.585 -2.841 -1.322 1.00 0.00 H new ATOM 0 HA3 GLY A 583 63.454 -3.687 -0.056 1.00 0.00 H new ATOM 1002 N ILE A 584 65.186 -3.082 -2.773 1.00 0.00 N ATOM 1003 CA ILE A 584 66.437 -2.502 -3.260 1.00 0.00 C ATOM 1004 C ILE A 584 66.178 -1.185 -3.992 1.00 0.00 C ATOM 1005 O ILE A 584 67.011 -0.277 -3.959 1.00 0.00 O ATOM 1006 CB ILE A 584 67.154 -3.472 -4.209 1.00 0.00 C ATOM 1007 CG1 ILE A 584 67.155 -4.889 -3.612 1.00 0.00 C ATOM 1008 CG2 ILE A 584 68.600 -3.001 -4.403 1.00 0.00 C ATOM 1009 CD1 ILE A 584 67.763 -5.889 -4.603 1.00 0.00 C ATOM 0 H ILE A 584 64.717 -3.700 -3.435 1.00 0.00 H new ATOM 0 HA ILE A 584 67.070 -2.312 -2.393 1.00 0.00 H new ATOM 0 HB ILE A 584 66.635 -3.491 -5.167 1.00 0.00 H new ATOM 0 HG12 ILE A 584 67.724 -4.898 -2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 584 66.136 -5.187 -3.365 1.00 0.00 H new ATOM 0 HG21 ILE A 584 69.118 -3.684 -5.076 1.00 0.00 H new ATOM 0 HG22 ILE A 584 68.602 -1.999 -4.831 1.00 0.00 H new ATOM 0 HG23 ILE A 584 69.110 -2.985 -3.440 1.00 0.00 H new ATOM 0 HD11 ILE A 584 67.756 -6.887 -4.164 1.00 0.00 H new ATOM 0 HD12 ILE A 584 67.177 -5.893 -5.522 1.00 0.00 H new ATOM 0 HD13 ILE A 584 68.789 -5.599 -4.829 1.00 0.00 H new ATOM 1021 N ILE A 585 65.022 -1.087 -4.651 1.00 0.00 N ATOM 1022 CA ILE A 585 64.710 0.078 -5.476 1.00 0.00 C ATOM 1023 C ILE A 585 63.349 0.647 -5.081 1.00 0.00 C ATOM 1024 O ILE A 585 62.395 -0.102 -4.857 1.00 0.00 O ATOM 1025 CB ILE A 585 64.698 -0.323 -6.958 1.00 0.00 C ATOM 1026 CG1 ILE A 585 66.029 -0.995 -7.322 1.00 0.00 C ATOM 1027 CG2 ILE A 585 64.507 0.922 -7.834 1.00 0.00 C ATOM 1028 CD1 ILE A 585 65.931 -1.616 -8.718 1.00 0.00 C ATOM 0 H ILE A 585 64.290 -1.797 -4.629 1.00 0.00 H new ATOM 0 HA ILE A 585 65.472 0.841 -5.318 1.00 0.00 H new ATOM 0 HB ILE A 585 63.876 -1.018 -7.130 1.00 0.00 H new ATOM 0 HG12 ILE A 585 66.836 -0.263 -7.295 1.00 0.00 H new ATOM 0 HG13 ILE A 585 66.272 -1.764 -6.588 1.00 0.00 H new ATOM 0 HG21 ILE A 585 64.499 0.630 -8.884 1.00 0.00 H new ATOM 0 HG22 ILE A 585 63.561 1.401 -7.584 1.00 0.00 H new ATOM 0 HG23 ILE A 585 65.325 1.620 -7.657 1.00 0.00 H new ATOM 0 HD11 ILE A 585 66.878 -2.092 -8.972 1.00 0.00 H new ATOM 0 HD12 ILE A 585 65.136 -2.361 -8.730 1.00 0.00 H new ATOM 0 HD13 ILE A 585 65.709 -0.837 -9.448 1.00 0.00 H new ATOM 1040 N ARG A 586 63.268 1.973 -4.997 1.00 0.00 N ATOM 1041 CA ARG A 586 62.021 2.640 -4.630 1.00 0.00 C ATOM 1042 C ARG A 586 61.319 3.183 -5.871 1.00 0.00 C ATOM 1043 O ARG A 586 61.881 3.998 -6.604 1.00 0.00 O ATOM 1044 CB ARG A 586 62.309 3.792 -3.664 1.00 0.00 C ATOM 1045 CG ARG A 586 62.940 3.242 -2.383 1.00 0.00 C ATOM 1046 CD ARG A 586 61.881 2.495 -1.569 1.00 0.00 C ATOM 1047 NE ARG A 586 62.424 2.107 -0.266 1.00 0.00 N ATOM 1048 CZ ARG A 586 63.309 1.109 -0.126 1.00 0.00 C ATOM 1049 NH1 ARG A 586 63.731 0.420 -1.160 1.00 0.00 N ATOM 1050 NH2 ARG A 586 63.758 0.816 1.064 1.00 0.00 N ATOM 0 H ARG A 586 64.048 2.605 -5.177 1.00 0.00 H new ATOM 0 HA ARG A 586 61.371 1.911 -4.145 1.00 0.00 H new ATOM 0 HB2 ARG A 586 62.980 4.513 -4.131 1.00 0.00 H new ATOM 0 HB3 ARG A 586 61.386 4.322 -3.428 1.00 0.00 H new ATOM 0 HG2 ARG A 586 63.763 2.572 -2.630 1.00 0.00 H new ATOM 0 HG3 ARG A 586 63.359 4.057 -1.793 1.00 0.00 H new ATOM 0 HD2 ARG A 586 61.004 3.128 -1.432 1.00 0.00 H new ATOM 0 HD3 ARG A 586 61.552 1.609 -2.112 1.00 0.00 H new ATOM 0 HE ARG A 586 62.118 2.614 0.565 1.00 0.00 H new ATOM 0 HH11 ARG A 586 63.386 0.639 -2.094 1.00 0.00 H new ATOM 0 HH12 ARG A 586 64.405 -0.335 -1.029 1.00 0.00 H new ATOM 0 HH21 ARG A 586 63.436 1.344 1.875 1.00 0.00 H new ATOM 0 HH22 ARG A 586 64.431 0.059 1.183 1.00 0.00 H new