USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=9 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= -0.335 X(o=-0.5,f=-0.39) USER MOD Set 1.2: A 558 GLN : amide:sc= -0.163 K(o=-0.5,f=-1) USER MOD Set 2.1: A 535 MET CE :methyl -179:sc= -5.16! (180deg=-4.72!) USER MOD Set 2.2: A 544 MET CE :methyl 166:sc= -0.682 (180deg=-0.309) USER MOD Single : A 530 THR OG1 : rot 180:sc= 0.00788 USER MOD Single : A 531 TYR OH : rot 180:sc= 0 USER MOD Single : A 532 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 536 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 545 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.62) USER MOD Single : A 549 MET CE :methyl 160:sc= -7.35! (180deg=-9.04!) USER MOD Single : A 550 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 551 SER OG : rot 79:sc= 0.0436 USER MOD Single : A 554 GLN : amide:sc= -0.22 K(o=-0.22,f=-1.1) USER MOD Single : A 557 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 559 ASN : amide:sc= -0.593 K(o=-0.59,f=-2.4) USER MOD Single : A 564 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 566 HIS : no HD1:sc= -7.04! C(o=-7!,f=-5.8!) 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= -1.48 X(o=-1.5,f=-1.2) USER MOD Single : A 574 LYS NZ :NH3+ -134:sc= 1.23 (180deg=-0.776) USER MOD Single : A 575 LYS NZ :NH3+ -170:sc= -0.755 (180deg=-0.765) USER MOD Single : A 577 GLN : amide:sc= -3.6 X(o=-3.6,f=-3.3!) USER MOD Single : A 578 THR OG1 : rot 81:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 527 70.171 0.552 5.011 1.00 0.00 N ATOM 108 CA PRO A 527 69.846 -0.072 3.682 1.00 0.00 C ATOM 109 C PRO A 527 70.851 -1.138 3.242 1.00 0.00 C ATOM 110 O PRO A 527 70.525 -2.004 2.429 1.00 0.00 O ATOM 111 CB PRO A 527 69.854 1.109 2.713 1.00 0.00 C ATOM 112 CG PRO A 527 69.489 2.288 3.543 1.00 0.00 C ATOM 113 CD PRO A 527 70.073 2.030 4.929 1.00 0.00 C ATOM 0 HA PRO A 527 68.895 -0.604 3.723 1.00 0.00 H new ATOM 0 HB2 PRO A 527 70.835 1.237 2.254 1.00 0.00 H new ATOM 0 HB3 PRO A 527 69.140 0.960 1.903 1.00 0.00 H new ATOM 0 HG2 PRO A 527 69.893 3.205 3.115 1.00 0.00 H new ATOM 0 HG3 PRO A 527 68.407 2.409 3.593 1.00 0.00 H new ATOM 0 HD2 PRO A 527 71.049 2.501 5.044 1.00 0.00 H new ATOM 0 HD3 PRO A 527 69.431 2.431 5.713 1.00 0.00 H new ATOM 121 N GLU A 528 72.066 -1.088 3.793 1.00 0.00 N ATOM 122 CA GLU A 528 73.060 -2.137 3.534 1.00 0.00 C ATOM 123 C GLU A 528 72.494 -3.515 3.904 1.00 0.00 C ATOM 124 O GLU A 528 72.806 -4.520 3.262 1.00 0.00 O ATOM 125 CB GLU A 528 74.333 -1.866 4.343 1.00 0.00 C ATOM 126 CG GLU A 528 75.456 -2.788 3.861 1.00 0.00 C ATOM 127 CD GLU A 528 76.691 -2.606 4.736 1.00 0.00 C ATOM 128 OE1 GLU A 528 77.508 -1.763 4.405 1.00 0.00 O ATOM 129 OE2 GLU A 528 76.802 -3.313 5.724 1.00 0.00 O ATOM 0 H GLU A 528 72.384 -0.344 4.414 1.00 0.00 H new ATOM 0 HA GLU A 528 73.302 -2.130 2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 528 74.632 -0.824 4.231 1.00 0.00 H new ATOM 0 HB3 GLU A 528 74.144 -2.031 5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 528 75.125 -3.826 3.895 1.00 0.00 H new ATOM 0 HG3 GLU A 528 75.700 -2.565 2.822 1.00 0.00 H new ATOM 136 N GLU A 529 71.599 -3.533 4.896 1.00 0.00 N ATOM 137 CA GLU A 529 70.931 -4.762 5.302 1.00 0.00 C ATOM 138 C GLU A 529 70.033 -5.277 4.179 1.00 0.00 C ATOM 139 O GLU A 529 70.051 -6.463 3.851 1.00 0.00 O ATOM 140 CB GLU A 529 70.078 -4.497 6.545 1.00 0.00 C ATOM 141 CG GLU A 529 69.786 -5.819 7.258 1.00 0.00 C ATOM 142 CD GLU A 529 68.740 -5.607 8.348 1.00 0.00 C ATOM 143 OE1 GLU A 529 67.770 -4.914 8.086 1.00 0.00 O ATOM 144 OE2 GLU A 529 68.924 -6.140 9.430 1.00 0.00 O ATOM 0 H GLU A 529 71.324 -2.708 5.429 1.00 0.00 H new ATOM 0 HA GLU A 529 71.689 -5.513 5.525 1.00 0.00 H new ATOM 0 HB2 GLU A 529 70.600 -3.817 7.218 1.00 0.00 H new ATOM 0 HB3 GLU A 529 69.144 -4.011 6.261 1.00 0.00 H new ATOM 0 HG2 GLU A 529 69.430 -6.557 6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 529 70.702 -6.216 7.695 1.00 0.00 H new ATOM 151 N THR A 530 69.273 -4.364 3.570 1.00 0.00 N ATOM 152 CA THR A 530 68.324 -4.738 2.521 1.00 0.00 C ATOM 153 C THR A 530 69.035 -5.399 1.342 1.00 0.00 C ATOM 154 O THR A 530 68.594 -6.437 0.846 1.00 0.00 O ATOM 155 CB THR A 530 67.571 -3.496 2.032 1.00 0.00 C ATOM 156 OG1 THR A 530 67.141 -2.736 3.153 1.00 0.00 O ATOM 157 CG2 THR A 530 66.352 -3.920 1.207 1.00 0.00 C ATOM 0 H THR A 530 69.296 -3.367 3.784 1.00 0.00 H new ATOM 0 HA THR A 530 67.620 -5.454 2.944 1.00 0.00 H new ATOM 0 HB THR A 530 68.233 -2.893 1.411 1.00 0.00 H new ATOM 0 HG1 THR A 530 66.660 -1.940 2.844 1.00 0.00 H new ATOM 0 HG21 THR A 530 65.820 -3.033 0.862 1.00 0.00 H new ATOM 0 HG22 THR A 530 66.680 -4.504 0.347 1.00 0.00 H new ATOM 0 HG23 THR A 530 65.687 -4.524 1.824 1.00 0.00 H new ATOM 165 N TYR A 531 70.152 -4.808 0.911 1.00 0.00 N ATOM 166 CA TYR A 531 70.905 -5.343 -0.223 1.00 0.00 C ATOM 167 C TYR A 531 71.378 -6.772 0.047 1.00 0.00 C ATOM 168 O TYR A 531 71.203 -7.654 -0.792 1.00 0.00 O ATOM 169 CB TYR A 531 72.115 -4.455 -0.523 1.00 0.00 C ATOM 170 CG TYR A 531 71.748 -3.088 -1.052 1.00 0.00 C ATOM 171 CD1 TYR A 531 71.327 -2.938 -2.395 1.00 0.00 C ATOM 172 CD2 TYR A 531 71.827 -1.957 -0.204 1.00 0.00 C ATOM 173 CE1 TYR A 531 70.986 -1.656 -2.892 1.00 0.00 C ATOM 174 CE2 TYR A 531 71.486 -0.675 -0.700 1.00 0.00 C ATOM 175 CZ TYR A 531 71.065 -0.524 -2.044 1.00 0.00 C ATOM 176 OH TYR A 531 70.732 0.724 -2.528 1.00 0.00 O ATOM 0 H TYR A 531 70.551 -3.966 1.327 1.00 0.00 H new ATOM 0 HA TYR A 531 70.238 -5.356 -1.085 1.00 0.00 H new ATOM 0 HB2 TYR A 531 72.703 -4.337 0.387 1.00 0.00 H new ATOM 0 HB3 TYR A 531 72.752 -4.958 -1.251 1.00 0.00 H new ATOM 0 HD1 TYR A 531 71.266 -3.801 -3.041 1.00 0.00 H new ATOM 0 HD2 TYR A 531 72.147 -2.072 0.821 1.00 0.00 H new ATOM 0 HE1 TYR A 531 70.666 -1.542 -3.917 1.00 0.00 H new ATOM 0 HE2 TYR A 531 71.547 0.188 -0.053 1.00 0.00 H new ATOM 0 HH TYR A 531 70.840 1.390 -1.817 1.00 0.00 H new ATOM 186 N GLN A 532 71.949 -7.005 1.231 1.00 0.00 N ATOM 187 CA GLN A 532 72.447 -8.340 1.586 1.00 0.00 C ATOM 188 C GLN A 532 71.331 -9.387 1.512 1.00 0.00 C ATOM 189 O GLN A 532 71.507 -10.456 0.917 1.00 0.00 O ATOM 190 CB GLN A 532 73.037 -8.324 2.999 1.00 0.00 C ATOM 191 CG GLN A 532 74.301 -7.461 3.014 1.00 0.00 C ATOM 192 CD GLN A 532 74.946 -7.507 4.395 1.00 0.00 C ATOM 193 OE1 GLN A 532 75.626 -8.477 4.732 1.00 0.00 O ATOM 194 NE2 GLN A 532 74.773 -6.511 5.221 1.00 0.00 N ATOM 0 H GLN A 532 72.078 -6.297 1.954 1.00 0.00 H new ATOM 0 HA GLN A 532 73.222 -8.608 0.868 1.00 0.00 H new ATOM 0 HB2 GLN A 532 72.306 -7.930 3.705 1.00 0.00 H new ATOM 0 HB3 GLN A 532 73.273 -9.339 3.318 1.00 0.00 H new ATOM 0 HG2 GLN A 532 75.005 -7.819 2.263 1.00 0.00 H new ATOM 0 HG3 GLN A 532 74.052 -6.432 2.754 1.00 0.00 H new ATOM 0 HE21 GLN A 532 74.210 -5.708 4.941 1.00 0.00 H new ATOM 0 HE22 GLN A 532 75.201 -6.536 6.146 1.00 0.00 H new ATOM 203 N ARG A 533 70.157 -9.047 2.047 1.00 0.00 N ATOM 204 CA ARG A 533 69.023 -9.973 2.032 1.00 0.00 C ATOM 205 C ARG A 533 68.666 -10.354 0.598 1.00 0.00 C ATOM 206 O ARG A 533 68.621 -11.536 0.254 1.00 0.00 O ATOM 207 CB ARG A 533 67.810 -9.334 2.712 1.00 0.00 C ATOM 208 CG ARG A 533 68.112 -9.113 4.195 1.00 0.00 C ATOM 209 CD ARG A 533 66.877 -8.531 4.886 1.00 0.00 C ATOM 210 NE ARG A 533 65.815 -9.536 4.959 1.00 0.00 N ATOM 211 CZ ARG A 533 65.858 -10.563 5.820 1.00 0.00 C ATOM 212 NH1 ARG A 533 66.865 -10.719 6.648 1.00 0.00 N ATOM 213 NH2 ARG A 533 64.879 -11.425 5.835 1.00 0.00 N ATOM 0 H ARG A 533 69.967 -8.149 2.491 1.00 0.00 H new ATOM 0 HA ARG A 533 69.306 -10.873 2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 533 67.570 -8.384 2.234 1.00 0.00 H new ATOM 0 HB3 ARG A 533 66.937 -9.977 2.600 1.00 0.00 H new ATOM 0 HG2 ARG A 533 68.394 -10.056 4.664 1.00 0.00 H new ATOM 0 HG3 ARG A 533 68.958 -8.435 4.308 1.00 0.00 H new ATOM 0 HD2 ARG A 533 67.138 -8.194 5.889 1.00 0.00 H new ATOM 0 HD3 ARG A 533 66.523 -7.657 4.339 1.00 0.00 H new ATOM 0 HE ARG A 533 65.014 -9.452 4.333 1.00 0.00 H new ATOM 0 HH11 ARG A 533 67.636 -10.051 6.645 1.00 0.00 H new ATOM 0 HH12 ARG A 533 66.876 -11.508 7.294 1.00 0.00 H new ATOM 0 HH21 ARG A 533 64.092 -11.314 5.196 1.00 0.00 H new ATOM 0 HH22 ARG A 533 64.901 -12.210 6.486 1.00 0.00 H new ATOM 227 N ALA A 534 68.554 -9.344 -0.262 1.00 0.00 N ATOM 228 CA ALA A 534 68.229 -9.569 -1.673 1.00 0.00 C ATOM 229 C ALA A 534 69.306 -10.416 -2.357 1.00 0.00 C ATOM 230 O ALA A 534 69.003 -11.244 -3.216 1.00 0.00 O ATOM 231 CB ALA A 534 68.108 -8.226 -2.396 1.00 0.00 C ATOM 0 H ALA A 534 68.683 -8.364 -0.010 1.00 0.00 H new ATOM 0 HA ALA A 534 67.281 -10.105 -1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 534 67.866 -8.398 -3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 534 67.318 -7.634 -1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 534 69.053 -7.688 -2.325 1.00 0.00 H new ATOM 237 N MET A 535 70.560 -10.215 -1.947 1.00 0.00 N ATOM 238 CA MET A 535 71.692 -10.916 -2.557 1.00 0.00 C ATOM 239 C MET A 535 71.579 -12.430 -2.351 1.00 0.00 C ATOM 240 O MET A 535 72.074 -13.208 -3.168 1.00 0.00 O ATOM 241 CB MET A 535 73.013 -10.400 -1.961 1.00 0.00 C ATOM 242 CG MET A 535 73.779 -9.586 -3.010 1.00 0.00 C ATOM 243 SD MET A 535 73.077 -7.921 -3.117 1.00 0.00 S ATOM 244 CE MET A 535 71.796 -8.293 -4.339 1.00 0.00 C ATOM 0 H MET A 535 70.817 -9.574 -1.197 1.00 0.00 H new ATOM 0 HA MET A 535 71.678 -10.717 -3.629 1.00 0.00 H new ATOM 0 HB2 MET A 535 72.810 -9.782 -1.086 1.00 0.00 H new ATOM 0 HB3 MET A 535 73.622 -11.239 -1.624 1.00 0.00 H new ATOM 0 HG2 MET A 535 74.834 -9.530 -2.742 1.00 0.00 H new ATOM 0 HG3 MET A 535 73.722 -10.079 -3.981 1.00 0.00 H new ATOM 0 HE1 MET A 535 71.240 -7.385 -4.572 1.00 0.00 H new ATOM 0 HE2 MET A 535 72.260 -8.677 -5.247 1.00 0.00 H new ATOM 0 HE3 MET A 535 71.115 -9.042 -3.935 1.00 0.00 H new ATOM 254 N LYS A 536 70.931 -12.842 -1.259 1.00 0.00 N ATOM 255 CA LYS A 536 70.664 -14.260 -1.035 1.00 0.00 C ATOM 256 C LYS A 536 69.606 -14.774 -2.016 1.00 0.00 C ATOM 257 O LYS A 536 69.541 -15.973 -2.293 1.00 0.00 O ATOM 258 CB LYS A 536 70.197 -14.492 0.404 1.00 0.00 C ATOM 259 CG LYS A 536 71.325 -14.132 1.372 1.00 0.00 C ATOM 260 CD LYS A 536 70.901 -14.474 2.801 1.00 0.00 C ATOM 261 CE LYS A 536 71.979 -14.006 3.780 1.00 0.00 C ATOM 262 NZ LYS A 536 71.746 -14.633 5.112 1.00 0.00 N ATOM 0 H LYS A 536 70.586 -12.222 -0.526 1.00 0.00 H new ATOM 0 HA LYS A 536 71.590 -14.811 -1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 536 69.316 -13.885 0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 536 69.906 -15.534 0.539 1.00 0.00 H new ATOM 0 HG2 LYS A 536 72.231 -14.678 1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 536 71.559 -13.070 1.295 1.00 0.00 H new ATOM 0 HD2 LYS A 536 69.950 -13.994 3.034 1.00 0.00 H new ATOM 0 HD3 LYS A 536 70.748 -15.549 2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 536 72.967 -14.276 3.407 1.00 0.00 H new ATOM 0 HE3 LYS A 536 71.958 -12.920 3.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 536 72.479 -14.315 5.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 536 70.810 -14.354 5.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 536 71.787 -15.668 5.020 1.00 0.00 H new ATOM 276 N ASP A 537 68.782 -13.863 -2.535 1.00 0.00 N ATOM 277 CA ASP A 537 67.811 -14.214 -3.567 1.00 0.00 C ATOM 278 C ASP A 537 68.486 -14.235 -4.946 1.00 0.00 C ATOM 279 O ASP A 537 68.849 -13.180 -5.469 1.00 0.00 O ATOM 280 CB ASP A 537 66.668 -13.192 -3.571 1.00 0.00 C ATOM 281 CG ASP A 537 65.508 -13.674 -4.449 1.00 0.00 C ATOM 282 OD1 ASP A 537 65.680 -14.654 -5.159 1.00 0.00 O ATOM 283 OD2 ASP A 537 64.461 -13.051 -4.397 1.00 0.00 O ATOM 0 H ASP A 537 68.769 -12.881 -2.258 1.00 0.00 H new ATOM 0 HA ASP A 537 67.412 -15.205 -3.352 1.00 0.00 H new ATOM 0 HB2 ASP A 537 66.316 -13.030 -2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 537 67.033 -12.233 -3.938 1.00 0.00 H new ATOM 288 N PRO A 538 68.656 -15.399 -5.549 1.00 0.00 N ATOM 289 CA PRO A 538 69.469 -15.529 -6.804 1.00 0.00 C ATOM 290 C PRO A 538 68.965 -14.622 -7.929 1.00 0.00 C ATOM 291 O PRO A 538 69.752 -14.151 -8.751 1.00 0.00 O ATOM 292 CB PRO A 538 69.337 -17.007 -7.197 1.00 0.00 C ATOM 293 CG PRO A 538 68.893 -17.714 -5.963 1.00 0.00 C ATOM 294 CD PRO A 538 68.090 -16.703 -5.153 1.00 0.00 C ATOM 0 HA PRO A 538 70.502 -15.223 -6.637 1.00 0.00 H new ATOM 0 HB2 PRO A 538 68.614 -17.135 -8.003 1.00 0.00 H new ATOM 0 HB3 PRO A 538 70.287 -17.403 -7.555 1.00 0.00 H new ATOM 0 HG2 PRO A 538 68.285 -18.584 -6.211 1.00 0.00 H new ATOM 0 HG3 PRO A 538 69.749 -18.076 -5.393 1.00 0.00 H new ATOM 0 HD2 PRO A 538 67.026 -16.763 -5.382 1.00 0.00 H new ATOM 0 HD3 PRO A 538 68.196 -16.875 -4.082 1.00 0.00 H new ATOM 302 N GLU A 539 67.662 -14.340 -7.931 1.00 0.00 N ATOM 303 CA GLU A 539 67.074 -13.513 -8.985 1.00 0.00 C ATOM 304 C GLU A 539 67.587 -12.079 -8.880 1.00 0.00 C ATOM 305 O GLU A 539 67.868 -11.435 -9.893 1.00 0.00 O ATOM 306 CB GLU A 539 65.547 -13.525 -8.879 1.00 0.00 C ATOM 307 CG GLU A 539 65.035 -14.956 -9.053 1.00 0.00 C ATOM 308 CD GLU A 539 63.508 -14.977 -9.019 1.00 0.00 C ATOM 309 OE1 GLU A 539 62.908 -14.077 -9.583 1.00 0.00 O ATOM 310 OE2 GLU A 539 62.963 -15.894 -8.426 1.00 0.00 O ATOM 0 H GLU A 539 67.002 -14.666 -7.226 1.00 0.00 H new ATOM 0 HA GLU A 539 67.366 -13.925 -9.951 1.00 0.00 H new ATOM 0 HB2 GLU A 539 65.236 -13.131 -7.911 1.00 0.00 H new ATOM 0 HB3 GLU A 539 65.114 -12.877 -9.641 1.00 0.00 H new ATOM 0 HG2 GLU A 539 65.391 -15.365 -9.999 1.00 0.00 H new ATOM 0 HG3 GLU A 539 65.433 -15.591 -8.261 1.00 0.00 H new ATOM 317 N VAL A 540 67.790 -11.612 -7.649 1.00 0.00 N ATOM 318 CA VAL A 540 68.287 -10.256 -7.421 1.00 0.00 C ATOM 319 C VAL A 540 69.715 -10.127 -7.952 1.00 0.00 C ATOM 320 O VAL A 540 70.037 -9.178 -8.668 1.00 0.00 O ATOM 321 CB VAL A 540 68.256 -9.938 -5.916 1.00 0.00 C ATOM 322 CG1 VAL A 540 68.698 -8.489 -5.664 1.00 0.00 C ATOM 323 CG2 VAL A 540 66.835 -10.138 -5.378 1.00 0.00 C ATOM 0 H VAL A 540 67.619 -12.149 -6.799 1.00 0.00 H new ATOM 0 HA VAL A 540 67.649 -9.548 -7.949 1.00 0.00 H new ATOM 0 HB VAL A 540 68.943 -10.611 -5.402 1.00 0.00 H new ATOM 0 HG11 VAL A 540 68.670 -8.281 -4.594 1.00 0.00 H new ATOM 0 HG12 VAL A 540 69.713 -8.349 -6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 540 68.025 -7.808 -6.184 1.00 0.00 H new ATOM 0 HG21 VAL A 540 66.815 -9.912 -4.312 1.00 0.00 H new ATOM 0 HG22 VAL A 540 66.150 -9.472 -5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 540 66.528 -11.172 -5.536 1.00 0.00 H new ATOM 333 N ALA A 541 70.557 -11.104 -7.619 1.00 0.00 N ATOM 334 CA ALA A 541 71.962 -11.071 -8.026 1.00 0.00 C ATOM 335 C ALA A 541 72.082 -11.005 -9.549 1.00 0.00 C ATOM 336 O ALA A 541 72.876 -10.234 -10.090 1.00 0.00 O ATOM 337 CB ALA A 541 72.678 -12.321 -7.506 1.00 0.00 C ATOM 0 H ALA A 541 70.294 -11.924 -7.072 1.00 0.00 H new ATOM 0 HA ALA A 541 72.426 -10.180 -7.602 1.00 0.00 H new ATOM 0 HB1 ALA A 541 73.724 -12.294 -7.810 1.00 0.00 H new ATOM 0 HB2 ALA A 541 72.617 -12.349 -6.418 1.00 0.00 H new ATOM 0 HB3 ALA A 541 72.203 -13.211 -7.919 1.00 0.00 H new ATOM 343 N ALA A 542 71.246 -11.786 -10.231 1.00 0.00 N ATOM 344 CA ALA A 542 71.285 -11.853 -11.693 1.00 0.00 C ATOM 345 C ALA A 542 70.980 -10.494 -12.325 1.00 0.00 C ATOM 346 O ALA A 542 71.664 -10.073 -13.258 1.00 0.00 O ATOM 347 CB ALA A 542 70.274 -12.887 -12.198 1.00 0.00 C ATOM 0 H ALA A 542 70.537 -12.378 -9.799 1.00 0.00 H new ATOM 0 HA ALA A 542 72.293 -12.148 -11.984 1.00 0.00 H new ATOM 0 HB1 ALA A 542 70.310 -12.930 -13.287 1.00 0.00 H new ATOM 0 HB2 ALA A 542 70.520 -13.867 -11.788 1.00 0.00 H new ATOM 0 HB3 ALA A 542 69.272 -12.601 -11.879 1.00 0.00 H new ATOM 353 N ILE A 543 69.961 -9.808 -11.805 1.00 0.00 N ATOM 354 CA ILE A 543 69.550 -8.517 -12.367 1.00 0.00 C ATOM 355 C ILE A 543 70.647 -7.465 -12.181 1.00 0.00 C ATOM 356 O ILE A 543 70.892 -6.661 -13.082 1.00 0.00 O ATOM 357 CB ILE A 543 68.240 -8.049 -11.708 1.00 0.00 C ATOM 358 CG1 ILE A 543 67.157 -9.112 -11.934 1.00 0.00 C ATOM 359 CG2 ILE A 543 67.775 -6.712 -12.319 1.00 0.00 C ATOM 360 CD1 ILE A 543 65.928 -8.789 -11.081 1.00 0.00 C ATOM 0 H ILE A 543 69.410 -10.119 -11.005 1.00 0.00 H new ATOM 0 HA ILE A 543 69.383 -8.644 -13.437 1.00 0.00 H new ATOM 0 HB ILE A 543 68.412 -7.907 -10.641 1.00 0.00 H new ATOM 0 HG12 ILE A 543 66.881 -9.145 -12.988 1.00 0.00 H new ATOM 0 HG13 ILE A 543 67.542 -10.098 -11.674 1.00 0.00 H new ATOM 0 HG21 ILE A 543 66.848 -6.397 -11.841 1.00 0.00 H new ATOM 0 HG22 ILE A 543 68.541 -5.953 -12.160 1.00 0.00 H new ATOM 0 HG23 ILE A 543 67.607 -6.840 -13.388 1.00 0.00 H new ATOM 0 HD11 ILE A 543 65.162 -9.547 -11.245 1.00 0.00 H new ATOM 0 HD12 ILE A 543 66.209 -8.779 -10.028 1.00 0.00 H new ATOM 0 HD13 ILE A 543 65.537 -7.811 -11.362 1.00 0.00 H new ATOM 372 N MET A 544 71.303 -7.469 -11.020 1.00 0.00 N ATOM 373 CA MET A 544 72.376 -6.506 -10.755 1.00 0.00 C ATOM 374 C MET A 544 73.534 -6.691 -11.737 1.00 0.00 C ATOM 375 O MET A 544 74.178 -5.721 -12.138 1.00 0.00 O ATOM 376 CB MET A 544 72.887 -6.657 -9.322 1.00 0.00 C ATOM 377 CG MET A 544 71.894 -6.004 -8.359 1.00 0.00 C ATOM 378 SD MET A 544 72.626 -5.916 -6.707 1.00 0.00 S ATOM 379 CE MET A 544 71.238 -5.090 -5.890 1.00 0.00 C ATOM 0 H MET A 544 71.115 -8.118 -10.256 1.00 0.00 H new ATOM 0 HA MET A 544 71.966 -5.505 -10.886 1.00 0.00 H new ATOM 0 HB2 MET A 544 73.009 -7.712 -9.077 1.00 0.00 H new ATOM 0 HB3 MET A 544 73.867 -6.191 -9.222 1.00 0.00 H new ATOM 0 HG2 MET A 544 71.636 -5.004 -8.708 1.00 0.00 H new ATOM 0 HG3 MET A 544 70.969 -6.579 -8.328 1.00 0.00 H new ATOM 0 HE1 MET A 544 71.362 -5.153 -4.809 1.00 0.00 H new ATOM 0 HE2 MET A 544 71.209 -4.043 -6.191 1.00 0.00 H new ATOM 0 HE3 MET A 544 70.305 -5.576 -6.177 1.00 0.00 H new ATOM 389 N GLN A 545 73.794 -7.942 -12.113 1.00 0.00 N ATOM 390 CA GLN A 545 74.813 -8.237 -13.121 1.00 0.00 C ATOM 391 C GLN A 545 74.270 -8.104 -14.550 1.00 0.00 C ATOM 392 O GLN A 545 75.003 -8.313 -15.517 1.00 0.00 O ATOM 393 CB GLN A 545 75.342 -9.653 -12.917 1.00 0.00 C ATOM 394 CG GLN A 545 76.365 -9.661 -11.782 1.00 0.00 C ATOM 395 CD GLN A 545 77.654 -8.983 -12.234 1.00 0.00 C ATOM 396 OE1 GLN A 545 78.171 -9.286 -13.310 1.00 0.00 O ATOM 397 NE2 GLN A 545 78.207 -8.078 -11.474 1.00 0.00 N ATOM 0 H GLN A 545 73.318 -8.763 -11.739 1.00 0.00 H new ATOM 0 HA GLN A 545 75.614 -7.508 -12.997 1.00 0.00 H new ATOM 0 HB2 GLN A 545 74.519 -10.329 -12.683 1.00 0.00 H new ATOM 0 HB3 GLN A 545 75.801 -10.016 -13.836 1.00 0.00 H new ATOM 0 HG2 GLN A 545 75.959 -9.145 -10.912 1.00 0.00 H new ATOM 0 HG3 GLN A 545 76.572 -10.686 -11.476 1.00 0.00 H new ATOM 0 HE21 GLN A 545 77.777 -7.828 -10.583 1.00 0.00 H new ATOM 0 HE22 GLN A 545 79.069 -7.620 -11.771 1.00 0.00 H new ATOM 406 N ASP A 546 72.992 -7.755 -14.677 1.00 0.00 N ATOM 407 CA ASP A 546 72.354 -7.615 -15.984 1.00 0.00 C ATOM 408 C ASP A 546 72.011 -6.138 -16.236 1.00 0.00 C ATOM 409 O ASP A 546 71.323 -5.515 -15.425 1.00 0.00 O ATOM 410 CB ASP A 546 71.069 -8.459 -16.014 1.00 0.00 C ATOM 411 CG ASP A 546 70.761 -8.969 -17.424 1.00 0.00 C ATOM 412 OD1 ASP A 546 71.606 -8.836 -18.294 1.00 0.00 O ATOM 413 OD2 ASP A 546 69.673 -9.489 -17.614 1.00 0.00 O ATOM 0 H ASP A 546 72.376 -7.563 -13.887 1.00 0.00 H new ATOM 0 HA ASP A 546 73.035 -7.961 -16.762 1.00 0.00 H new ATOM 0 HB2 ASP A 546 71.173 -9.306 -15.335 1.00 0.00 H new ATOM 0 HB3 ASP A 546 70.232 -7.861 -15.652 1.00 0.00 H new ATOM 418 N PRO A 547 72.463 -5.572 -17.334 1.00 0.00 N ATOM 419 CA PRO A 547 72.505 -4.085 -17.501 1.00 0.00 C ATOM 420 C PRO A 547 71.120 -3.455 -17.694 1.00 0.00 C ATOM 421 O PRO A 547 70.969 -2.237 -17.573 1.00 0.00 O ATOM 422 CB PRO A 547 73.376 -3.892 -18.738 1.00 0.00 C ATOM 423 CG PRO A 547 73.131 -5.100 -19.572 1.00 0.00 C ATOM 424 CD PRO A 547 72.802 -6.243 -18.608 1.00 0.00 C ATOM 0 HA PRO A 547 72.894 -3.592 -16.610 1.00 0.00 H new ATOM 0 HB2 PRO A 547 73.106 -2.981 -19.273 1.00 0.00 H new ATOM 0 HB3 PRO A 547 74.429 -3.804 -18.470 1.00 0.00 H new ATOM 0 HG2 PRO A 547 72.308 -4.930 -20.266 1.00 0.00 H new ATOM 0 HG3 PRO A 547 74.009 -5.340 -20.172 1.00 0.00 H new ATOM 0 HD2 PRO A 547 71.969 -6.843 -18.974 1.00 0.00 H new ATOM 0 HD3 PRO A 547 73.651 -6.916 -18.488 1.00 0.00 H new ATOM 432 N VAL A 548 70.107 -4.281 -17.972 1.00 0.00 N ATOM 433 CA VAL A 548 68.811 -3.769 -18.428 1.00 0.00 C ATOM 434 C VAL A 548 68.215 -2.799 -17.406 1.00 0.00 C ATOM 435 O VAL A 548 67.961 -1.637 -17.721 1.00 0.00 O ATOM 436 CB VAL A 548 67.839 -4.938 -18.667 1.00 0.00 C ATOM 437 CG1 VAL A 548 66.477 -4.414 -19.147 1.00 0.00 C ATOM 438 CG2 VAL A 548 68.422 -5.871 -19.732 1.00 0.00 C ATOM 0 H VAL A 548 70.157 -5.296 -17.891 1.00 0.00 H new ATOM 0 HA VAL A 548 68.967 -3.230 -19.363 1.00 0.00 H new ATOM 0 HB VAL A 548 67.701 -5.478 -17.730 1.00 0.00 H new ATOM 0 HG11 VAL A 548 65.802 -5.254 -19.311 1.00 0.00 H new ATOM 0 HG12 VAL A 548 66.055 -3.751 -18.391 1.00 0.00 H new ATOM 0 HG13 VAL A 548 66.607 -3.865 -20.080 1.00 0.00 H new ATOM 0 HG21 VAL A 548 67.736 -6.700 -19.904 1.00 0.00 H new ATOM 0 HG22 VAL A 548 68.564 -5.319 -20.661 1.00 0.00 H new ATOM 0 HG23 VAL A 548 69.382 -6.259 -19.390 1.00 0.00 H new ATOM 448 N MET A 549 68.059 -3.260 -16.170 1.00 0.00 N ATOM 449 CA MET A 549 67.317 -2.484 -15.179 1.00 0.00 C ATOM 450 C MET A 549 68.051 -1.198 -14.816 1.00 0.00 C ATOM 451 O MET A 549 67.418 -0.187 -14.509 1.00 0.00 O ATOM 452 CB MET A 549 67.048 -3.314 -13.919 1.00 0.00 C ATOM 453 CG MET A 549 65.710 -4.046 -14.078 1.00 0.00 C ATOM 454 SD MET A 549 65.219 -4.793 -12.506 1.00 0.00 S ATOM 455 CE MET A 549 65.082 -3.266 -11.551 1.00 0.00 C ATOM 0 H MET A 549 68.428 -4.149 -15.833 1.00 0.00 H new ATOM 0 HA MET A 549 66.361 -2.215 -15.628 1.00 0.00 H new ATOM 0 HB2 MET A 549 67.853 -4.032 -13.762 1.00 0.00 H new ATOM 0 HB3 MET A 549 67.022 -2.668 -13.041 1.00 0.00 H new ATOM 0 HG2 MET A 549 64.943 -3.348 -14.413 1.00 0.00 H new ATOM 0 HG3 MET A 549 65.797 -4.816 -14.844 1.00 0.00 H new ATOM 0 HE1 MET A 549 64.462 -3.441 -10.672 1.00 0.00 H new ATOM 0 HE2 MET A 549 66.074 -2.943 -11.236 1.00 0.00 H new ATOM 0 HE3 MET A 549 64.627 -2.491 -12.168 1.00 0.00 H new ATOM 465 N GLN A 550 69.383 -1.224 -14.879 1.00 0.00 N ATOM 466 CA GLN A 550 70.174 -0.012 -14.647 1.00 0.00 C ATOM 467 C GLN A 550 69.791 1.074 -15.655 1.00 0.00 C ATOM 468 O GLN A 550 69.543 2.222 -15.284 1.00 0.00 O ATOM 469 CB GLN A 550 71.666 -0.330 -14.778 1.00 0.00 C ATOM 470 CG GLN A 550 72.490 0.839 -14.229 1.00 0.00 C ATOM 471 CD GLN A 550 73.980 0.526 -14.332 1.00 0.00 C ATOM 472 OE1 GLN A 550 74.384 -0.634 -14.242 1.00 0.00 O ATOM 473 NE2 GLN A 550 74.829 1.500 -14.517 1.00 0.00 N ATOM 0 H GLN A 550 69.932 -2.058 -15.086 1.00 0.00 H new ATOM 0 HA GLN A 550 69.968 0.351 -13.640 1.00 0.00 H new ATOM 0 HB2 GLN A 550 71.903 -1.243 -14.232 1.00 0.00 H new ATOM 0 HB3 GLN A 550 71.920 -0.508 -15.823 1.00 0.00 H new ATOM 0 HG2 GLN A 550 72.262 1.748 -14.786 1.00 0.00 H new ATOM 0 HG3 GLN A 550 72.221 1.027 -13.189 1.00 0.00 H new ATOM 0 HE21 GLN A 550 74.495 2.461 -14.592 1.00 0.00 H new ATOM 0 HE22 GLN A 550 75.827 1.300 -14.587 1.00 0.00 H new ATOM 482 N SER A 551 69.699 0.684 -16.927 1.00 0.00 N ATOM 483 CA SER A 551 69.330 1.619 -17.989 1.00 0.00 C ATOM 484 C SER A 551 67.919 2.172 -17.784 1.00 0.00 C ATOM 485 O SER A 551 67.682 3.361 -17.987 1.00 0.00 O ATOM 486 CB SER A 551 69.415 0.928 -19.350 1.00 0.00 C ATOM 487 OG SER A 551 70.712 0.371 -19.515 1.00 0.00 O ATOM 0 H SER A 551 69.874 -0.269 -17.245 1.00 0.00 H new ATOM 0 HA SER A 551 70.032 2.452 -17.955 1.00 0.00 H new ATOM 0 HB2 SER A 551 68.659 0.146 -19.421 1.00 0.00 H new ATOM 0 HB3 SER A 551 69.210 1.643 -20.147 1.00 0.00 H new ATOM 0 HG SER A 551 70.775 -0.467 -19.011 1.00 0.00 H new ATOM 493 N ILE A 552 66.987 1.313 -17.363 1.00 0.00 N ATOM 494 CA ILE A 552 65.588 1.727 -17.199 1.00 0.00 C ATOM 495 C ILE A 552 65.466 2.808 -16.123 1.00 0.00 C ATOM 496 O ILE A 552 64.795 3.818 -16.326 1.00 0.00 O ATOM 497 CB ILE A 552 64.713 0.512 -16.832 1.00 0.00 C ATOM 498 CG1 ILE A 552 64.901 -0.581 -17.894 1.00 0.00 C ATOM 499 CG2 ILE A 552 63.230 0.925 -16.786 1.00 0.00 C ATOM 500 CD1 ILE A 552 64.224 -1.883 -17.449 1.00 0.00 C ATOM 0 H ILE A 552 67.171 0.337 -17.131 1.00 0.00 H new ATOM 0 HA ILE A 552 65.240 2.142 -18.145 1.00 0.00 H new ATOM 0 HB ILE A 552 65.010 0.137 -15.853 1.00 0.00 H new ATOM 0 HG12 ILE A 552 64.479 -0.251 -18.843 1.00 0.00 H new ATOM 0 HG13 ILE A 552 65.964 -0.755 -18.061 1.00 0.00 H new ATOM 0 HG21 ILE A 552 62.619 0.060 -16.526 1.00 0.00 H new ATOM 0 HG22 ILE A 552 63.093 1.705 -16.037 1.00 0.00 H new ATOM 0 HG23 ILE A 552 62.927 1.303 -17.763 1.00 0.00 H new ATOM 0 HD11 ILE A 552 64.367 -2.647 -18.213 1.00 0.00 H new ATOM 0 HD12 ILE A 552 64.665 -2.221 -16.511 1.00 0.00 H new ATOM 0 HD13 ILE A 552 63.158 -1.708 -17.306 1.00 0.00 H new ATOM 512 N LEU A 553 66.136 2.600 -14.989 1.00 0.00 N ATOM 513 CA LEU A 553 66.107 3.578 -13.896 1.00 0.00 C ATOM 514 C LEU A 553 66.637 4.935 -14.361 1.00 0.00 C ATOM 515 O LEU A 553 66.013 5.974 -14.123 1.00 0.00 O ATOM 516 CB LEU A 553 66.949 3.076 -12.719 1.00 0.00 C ATOM 517 CG LEU A 553 66.358 1.769 -12.181 1.00 0.00 C ATOM 518 CD1 LEU A 553 67.332 1.144 -11.181 1.00 0.00 C ATOM 519 CD2 LEU A 553 65.028 2.059 -11.479 1.00 0.00 C ATOM 0 H LEU A 553 66.701 1.772 -14.802 1.00 0.00 H new ATOM 0 HA LEU A 553 65.071 3.699 -13.579 1.00 0.00 H new ATOM 0 HB2 LEU A 553 67.979 2.916 -13.038 1.00 0.00 H new ATOM 0 HB3 LEU A 553 66.973 3.828 -11.930 1.00 0.00 H new ATOM 0 HG LEU A 553 66.190 1.080 -13.009 1.00 0.00 H new ATOM 0 HD11 LEU A 553 66.913 0.214 -10.797 1.00 0.00 H new ATOM 0 HD12 LEU A 553 68.280 0.937 -11.677 1.00 0.00 H new ATOM 0 HD13 LEU A 553 67.498 1.835 -10.355 1.00 0.00 H new ATOM 0 HD21 LEU A 553 64.608 1.129 -11.096 1.00 0.00 H new ATOM 0 HD22 LEU A 553 65.196 2.748 -10.652 1.00 0.00 H new ATOM 0 HD23 LEU A 553 64.332 2.506 -12.189 1.00 0.00 H new ATOM 531 N GLN A 554 67.760 4.916 -15.082 1.00 0.00 N ATOM 532 CA GLN A 554 68.343 6.151 -15.610 1.00 0.00 C ATOM 533 C GLN A 554 67.339 6.883 -16.503 1.00 0.00 C ATOM 534 O GLN A 554 67.008 8.045 -16.258 1.00 0.00 O ATOM 535 CB GLN A 554 69.607 5.835 -16.412 1.00 0.00 C ATOM 536 CG GLN A 554 70.692 5.307 -15.470 1.00 0.00 C ATOM 537 CD GLN A 554 71.985 5.041 -16.242 1.00 0.00 C ATOM 538 OE1 GLN A 554 72.212 5.623 -17.303 1.00 0.00 O ATOM 539 NE2 GLN A 554 72.851 4.189 -15.766 1.00 0.00 N ATOM 0 H GLN A 554 68.279 4.069 -15.312 1.00 0.00 H new ATOM 0 HA GLN A 554 68.600 6.795 -14.769 1.00 0.00 H new ATOM 0 HB2 GLN A 554 69.387 5.095 -17.181 1.00 0.00 H new ATOM 0 HB3 GLN A 554 69.959 6.731 -16.923 1.00 0.00 H new ATOM 0 HG2 GLN A 554 70.877 6.031 -14.676 1.00 0.00 H new ATOM 0 HG3 GLN A 554 70.351 4.389 -14.991 1.00 0.00 H new ATOM 0 HE21 GLN A 554 72.662 3.707 -14.887 1.00 0.00 H new ATOM 0 HE22 GLN A 554 73.717 4.005 -16.273 1.00 0.00 H new ATOM 548 N GLN A 555 66.748 6.151 -17.446 1.00 0.00 N ATOM 549 CA GLN A 555 65.816 6.746 -18.404 1.00 0.00 C ATOM 550 C GLN A 555 64.611 7.361 -17.689 1.00 0.00 C ATOM 551 O GLN A 555 64.111 8.411 -18.095 1.00 0.00 O ATOM 552 CB GLN A 555 65.335 5.681 -19.393 1.00 0.00 C ATOM 553 CG GLN A 555 64.655 6.359 -20.586 1.00 0.00 C ATOM 554 CD GLN A 555 65.700 7.038 -21.464 1.00 0.00 C ATOM 555 OE1 GLN A 555 66.679 6.408 -21.867 1.00 0.00 O ATOM 556 NE2 GLN A 555 65.550 8.293 -21.788 1.00 0.00 N ATOM 0 H GLN A 555 66.897 5.149 -17.568 1.00 0.00 H new ATOM 0 HA GLN A 555 66.340 7.536 -18.941 1.00 0.00 H new ATOM 0 HB2 GLN A 555 66.178 5.080 -19.735 1.00 0.00 H new ATOM 0 HB3 GLN A 555 64.638 5.002 -18.902 1.00 0.00 H new ATOM 0 HG2 GLN A 555 64.103 5.621 -21.168 1.00 0.00 H new ATOM 0 HG3 GLN A 555 63.931 7.094 -20.233 1.00 0.00 H new ATOM 0 HE21 GLN A 555 64.739 8.813 -21.453 1.00 0.00 H new ATOM 0 HE22 GLN A 555 66.244 8.754 -22.376 1.00 0.00 H new ATOM 565 N ALA A 556 64.152 6.701 -16.624 1.00 0.00 N ATOM 566 CA ALA A 556 63.000 7.182 -15.860 1.00 0.00 C ATOM 567 C ALA A 556 63.277 8.550 -15.243 1.00 0.00 C ATOM 568 O ALA A 556 62.373 9.379 -15.129 1.00 0.00 O ATOM 569 CB ALA A 556 62.651 6.187 -14.751 1.00 0.00 C ATOM 0 H ALA A 556 64.559 5.835 -16.272 1.00 0.00 H new ATOM 0 HA ALA A 556 62.160 7.275 -16.548 1.00 0.00 H new ATOM 0 HB1 ALA A 556 61.793 6.555 -14.189 1.00 0.00 H new ATOM 0 HB2 ALA A 556 62.408 5.220 -15.193 1.00 0.00 H new ATOM 0 HB3 ALA A 556 63.503 6.076 -14.080 1.00 0.00 H new ATOM 575 N GLN A 557 64.530 8.784 -14.847 1.00 0.00 N ATOM 576 CA GLN A 557 64.922 10.085 -14.307 1.00 0.00 C ATOM 577 C GLN A 557 64.826 11.152 -15.393 1.00 0.00 C ATOM 578 O GLN A 557 64.378 12.272 -15.144 1.00 0.00 O ATOM 579 CB GLN A 557 66.356 10.022 -13.777 1.00 0.00 C ATOM 580 CG GLN A 557 66.425 9.045 -12.601 1.00 0.00 C ATOM 581 CD GLN A 557 67.859 8.941 -12.089 1.00 0.00 C ATOM 582 OE1 GLN A 557 68.807 9.021 -12.870 1.00 0.00 O ATOM 583 NE2 GLN A 557 68.074 8.767 -10.813 1.00 0.00 N ATOM 0 H GLN A 557 65.283 8.097 -14.890 1.00 0.00 H new ATOM 0 HA GLN A 557 64.248 10.342 -13.490 1.00 0.00 H new ATOM 0 HB2 GLN A 557 67.034 9.703 -14.569 1.00 0.00 H new ATOM 0 HB3 GLN A 557 66.681 11.013 -13.460 1.00 0.00 H new ATOM 0 HG2 GLN A 557 65.768 9.382 -11.799 1.00 0.00 H new ATOM 0 HG3 GLN A 557 66.070 8.063 -12.913 1.00 0.00 H new ATOM 0 HE21 GLN A 557 67.287 8.701 -10.168 1.00 0.00 H new ATOM 0 HE22 GLN A 557 69.029 8.697 -10.462 1.00 0.00 H new ATOM 592 N GLN A 558 65.256 10.785 -16.600 1.00 0.00 N ATOM 593 CA GLN A 558 65.154 11.679 -17.752 1.00 0.00 C ATOM 594 C GLN A 558 63.694 11.889 -18.152 1.00 0.00 C ATOM 595 O GLN A 558 63.315 12.979 -18.583 1.00 0.00 O ATOM 596 CB GLN A 558 65.930 11.097 -18.936 1.00 0.00 C ATOM 597 CG GLN A 558 67.419 11.035 -18.591 1.00 0.00 C ATOM 598 CD GLN A 558 68.202 10.430 -19.752 1.00 0.00 C ATOM 599 OE1 GLN A 558 67.703 9.543 -20.446 1.00 0.00 O ATOM 600 NE2 GLN A 558 69.408 10.859 -20.007 1.00 0.00 N ATOM 0 H GLN A 558 65.677 9.879 -16.805 1.00 0.00 H new ATOM 0 HA GLN A 558 65.581 12.642 -17.473 1.00 0.00 H new ATOM 0 HB2 GLN A 558 65.559 10.100 -19.172 1.00 0.00 H new ATOM 0 HB3 GLN A 558 65.777 11.712 -19.822 1.00 0.00 H new ATOM 0 HG2 GLN A 558 67.792 12.036 -18.373 1.00 0.00 H new ATOM 0 HG3 GLN A 558 67.567 10.437 -17.692 1.00 0.00 H new ATOM 0 HE21 GLN A 558 69.820 11.594 -19.432 1.00 0.00 H new ATOM 0 HE22 GLN A 558 69.938 10.460 -20.782 1.00 0.00 H new ATOM 609 N ASN A 559 62.879 10.841 -18.007 1.00 0.00 N ATOM 610 CA ASN A 559 61.475 10.910 -18.406 1.00 0.00 C ATOM 611 C ASN A 559 60.678 9.762 -17.771 1.00 0.00 C ATOM 612 O ASN A 559 61.018 8.595 -17.961 1.00 0.00 O ATOM 613 CB ASN A 559 61.369 10.822 -19.930 1.00 0.00 C ATOM 614 CG ASN A 559 60.076 11.479 -20.403 1.00 0.00 C ATOM 615 OD1 ASN A 559 59.001 10.891 -20.286 1.00 0.00 O ATOM 616 ND2 ASN A 559 60.117 12.670 -20.933 1.00 0.00 N ATOM 0 H ASN A 559 63.166 9.942 -17.619 1.00 0.00 H new ATOM 0 HA ASN A 559 61.061 11.858 -18.062 1.00 0.00 H new ATOM 0 HB2 ASN A 559 62.226 11.313 -20.391 1.00 0.00 H new ATOM 0 HB3 ASN A 559 61.392 9.779 -20.245 1.00 0.00 H new ATOM 0 HD21 ASN A 559 59.257 13.116 -21.252 1.00 0.00 H new ATOM 0 HD22 ASN A 559 61.009 13.155 -21.029 1.00 0.00 H new ATOM 623 N PRO A 560 59.596 10.062 -17.076 1.00 0.00 N ATOM 624 CA PRO A 560 58.906 9.045 -16.217 1.00 0.00 C ATOM 625 C PRO A 560 58.240 7.928 -17.030 1.00 0.00 C ATOM 626 O PRO A 560 57.978 6.847 -16.503 1.00 0.00 O ATOM 627 CB PRO A 560 57.860 9.860 -15.453 1.00 0.00 C ATOM 628 CG PRO A 560 57.564 11.031 -16.324 1.00 0.00 C ATOM 629 CD PRO A 560 58.849 11.337 -17.091 1.00 0.00 C ATOM 0 HA PRO A 560 59.612 8.527 -15.568 1.00 0.00 H new ATOM 0 HB2 PRO A 560 56.962 9.271 -15.266 1.00 0.00 H new ATOM 0 HB3 PRO A 560 58.241 10.178 -14.482 1.00 0.00 H new ATOM 0 HG2 PRO A 560 56.747 10.808 -17.010 1.00 0.00 H new ATOM 0 HG3 PRO A 560 57.254 11.889 -15.728 1.00 0.00 H new ATOM 0 HD2 PRO A 560 58.636 11.661 -18.110 1.00 0.00 H new ATOM 0 HD3 PRO A 560 59.416 12.136 -16.614 1.00 0.00 H new ATOM 637 N ALA A 561 57.973 8.195 -18.309 1.00 0.00 N ATOM 638 CA ALA A 561 57.294 7.220 -19.166 1.00 0.00 C ATOM 639 C ALA A 561 58.172 5.992 -19.434 1.00 0.00 C ATOM 640 O ALA A 561 57.660 4.913 -19.744 1.00 0.00 O ATOM 641 CB ALA A 561 56.913 7.872 -20.497 1.00 0.00 C ATOM 0 H ALA A 561 58.214 9.071 -18.772 1.00 0.00 H new ATOM 0 HA ALA A 561 56.397 6.889 -18.642 1.00 0.00 H new ATOM 0 HB1 ALA A 561 56.409 7.141 -21.129 1.00 0.00 H new ATOM 0 HB2 ALA A 561 56.246 8.714 -20.312 1.00 0.00 H new ATOM 0 HB3 ALA A 561 57.813 8.226 -20.999 1.00 0.00 H new ATOM 647 N ALA A 562 59.490 6.146 -19.278 1.00 0.00 N ATOM 648 CA ALA A 562 60.429 5.120 -19.730 1.00 0.00 C ATOM 649 C ALA A 562 60.232 3.817 -18.956 1.00 0.00 C ATOM 650 O ALA A 562 60.012 2.757 -19.550 1.00 0.00 O ATOM 651 CB ALA A 562 61.867 5.610 -19.545 1.00 0.00 C ATOM 0 H ALA A 562 59.925 6.962 -18.847 1.00 0.00 H new ATOM 0 HA ALA A 562 60.239 4.929 -20.786 1.00 0.00 H new ATOM 0 HB1 ALA A 562 62.560 4.840 -19.884 1.00 0.00 H new ATOM 0 HB2 ALA A 562 62.020 6.518 -20.128 1.00 0.00 H new ATOM 0 HB3 ALA A 562 62.047 5.821 -18.491 1.00 0.00 H new ATOM 657 N LEU A 563 60.241 3.906 -17.628 1.00 0.00 N ATOM 658 CA LEU A 563 60.135 2.704 -16.807 1.00 0.00 C ATOM 659 C LEU A 563 58.741 2.084 -16.921 1.00 0.00 C ATOM 660 O LEU A 563 58.586 0.872 -16.773 1.00 0.00 O ATOM 661 CB LEU A 563 60.507 2.979 -15.333 1.00 0.00 C ATOM 662 CG LEU A 563 59.803 4.219 -14.756 1.00 0.00 C ATOM 663 CD1 LEU A 563 58.302 3.955 -14.573 1.00 0.00 C ATOM 664 CD2 LEU A 563 60.436 4.549 -13.400 1.00 0.00 C ATOM 0 H LEU A 563 60.319 4.779 -17.106 1.00 0.00 H new ATOM 0 HA LEU A 563 60.857 1.983 -17.190 1.00 0.00 H new ATOM 0 HB2 LEU A 563 60.249 2.108 -14.730 1.00 0.00 H new ATOM 0 HB3 LEU A 563 61.586 3.112 -15.255 1.00 0.00 H new ATOM 0 HG LEU A 563 59.920 5.055 -15.445 1.00 0.00 H new ATOM 0 HD11 LEU A 563 57.823 4.845 -14.164 1.00 0.00 H new ATOM 0 HD12 LEU A 563 57.855 3.713 -15.537 1.00 0.00 H new ATOM 0 HD13 LEU A 563 58.160 3.119 -13.888 1.00 0.00 H new ATOM 0 HD21 LEU A 563 59.949 5.427 -12.975 1.00 0.00 H new ATOM 0 HD22 LEU A 563 60.312 3.702 -12.725 1.00 0.00 H new ATOM 0 HD23 LEU A 563 61.498 4.753 -13.534 1.00 0.00 H new ATOM 676 N GLN A 564 57.724 2.914 -17.188 1.00 0.00 N ATOM 677 CA GLN A 564 56.350 2.415 -17.297 1.00 0.00 C ATOM 678 C GLN A 564 56.239 1.371 -18.406 1.00 0.00 C ATOM 679 O GLN A 564 55.909 0.213 -18.142 1.00 0.00 O ATOM 680 CB GLN A 564 55.391 3.571 -17.602 1.00 0.00 C ATOM 681 CG GLN A 564 55.462 4.613 -16.485 1.00 0.00 C ATOM 682 CD GLN A 564 54.254 5.541 -16.560 1.00 0.00 C ATOM 683 OE1 GLN A 564 54.000 6.147 -17.601 1.00 0.00 O ATOM 684 NE2 GLN A 564 53.490 5.689 -15.513 1.00 0.00 N ATOM 0 H GLN A 564 57.825 3.919 -17.330 1.00 0.00 H new ATOM 0 HA GLN A 564 56.083 1.955 -16.345 1.00 0.00 H new ATOM 0 HB2 GLN A 564 55.651 4.029 -18.556 1.00 0.00 H new ATOM 0 HB3 GLN A 564 54.372 3.195 -17.697 1.00 0.00 H new ATOM 0 HG2 GLN A 564 55.490 4.117 -15.515 1.00 0.00 H new ATOM 0 HG3 GLN A 564 56.382 5.192 -16.574 1.00 0.00 H new ATOM 0 HE21 GLN A 564 53.702 5.186 -14.652 1.00 0.00 H new ATOM 0 HE22 GLN A 564 52.680 6.308 -15.556 1.00 0.00 H new ATOM 693 N GLU A 565 56.691 1.731 -19.609 1.00 0.00 N ATOM 694 CA GLU A 565 56.624 0.812 -20.751 1.00 0.00 C ATOM 695 C GLU A 565 57.464 -0.442 -20.496 1.00 0.00 C ATOM 696 O GLU A 565 57.173 -1.512 -21.031 1.00 0.00 O ATOM 697 CB GLU A 565 57.107 1.514 -22.026 1.00 0.00 C ATOM 698 CG GLU A 565 58.524 2.061 -21.826 1.00 0.00 C ATOM 699 CD GLU A 565 59.142 2.411 -23.176 1.00 0.00 C ATOM 700 OE1 GLU A 565 59.435 1.495 -23.927 1.00 0.00 O ATOM 701 OE2 GLU A 565 59.314 3.590 -23.439 1.00 0.00 O ATOM 0 H GLU A 565 57.103 2.640 -19.818 1.00 0.00 H new ATOM 0 HA GLU A 565 55.585 0.509 -20.881 1.00 0.00 H new ATOM 0 HB2 GLU A 565 57.094 0.814 -22.862 1.00 0.00 H new ATOM 0 HB3 GLU A 565 56.428 2.328 -22.281 1.00 0.00 H new ATOM 0 HG2 GLU A 565 58.495 2.945 -21.189 1.00 0.00 H new ATOM 0 HG3 GLU A 565 59.140 1.321 -21.315 1.00 0.00 H new ATOM 708 N HIS A 566 58.505 -0.295 -19.678 1.00 0.00 N ATOM 709 CA HIS A 566 59.333 -1.434 -19.291 1.00 0.00 C ATOM 710 C HIS A 566 58.544 -2.415 -18.421 1.00 0.00 C ATOM 711 O HIS A 566 58.564 -3.621 -18.665 1.00 0.00 O ATOM 712 CB HIS A 566 60.571 -0.947 -18.535 1.00 0.00 C ATOM 713 CG HIS A 566 61.680 -0.512 -19.453 1.00 0.00 C ATOM 714 ND1 HIS A 566 62.327 -1.398 -20.302 1.00 0.00 N ATOM 715 CD2 HIS A 566 62.251 0.714 -19.688 1.00 0.00 C ATOM 716 CE1 HIS A 566 63.237 -0.697 -21.002 1.00 0.00 C ATOM 717 NE2 HIS A 566 63.234 0.595 -20.667 1.00 0.00 N ATOM 0 H HIS A 566 58.793 0.596 -19.273 1.00 0.00 H new ATOM 0 HA HIS A 566 59.644 -1.954 -20.197 1.00 0.00 H new ATOM 0 HB2 HIS A 566 60.293 -0.114 -17.889 1.00 0.00 H new ATOM 0 HB3 HIS A 566 60.933 -1.746 -17.888 1.00 0.00 H new ATOM 0 HD2 HIS A 566 61.979 1.632 -19.189 1.00 0.00 H new ATOM 0 HE1 HIS A 566 63.891 -1.128 -21.746 1.00 0.00 H new ATOM 0 HE2 HIS A 566 63.824 1.335 -21.046 1.00 0.00 H new ATOM 725 N MET A 567 57.812 -1.887 -17.439 1.00 0.00 N ATOM 726 CA MET A 567 57.082 -2.731 -16.491 1.00 0.00 C ATOM 727 C MET A 567 56.015 -3.559 -17.205 1.00 0.00 C ATOM 728 O MET A 567 55.748 -4.700 -16.823 1.00 0.00 O ATOM 729 CB MET A 567 56.421 -1.860 -15.419 1.00 0.00 C ATOM 730 CG MET A 567 55.970 -2.740 -14.251 1.00 0.00 C ATOM 731 SD MET A 567 55.104 -1.723 -13.030 1.00 0.00 S ATOM 732 CE MET A 567 55.005 -2.972 -11.723 1.00 0.00 C ATOM 0 H MET A 567 57.709 -0.885 -17.279 1.00 0.00 H new ATOM 0 HA MET A 567 57.794 -3.411 -16.023 1.00 0.00 H new ATOM 0 HB2 MET A 567 57.122 -1.103 -15.068 1.00 0.00 H new ATOM 0 HB3 MET A 567 55.566 -1.332 -15.841 1.00 0.00 H new ATOM 0 HG2 MET A 567 55.314 -3.533 -14.611 1.00 0.00 H new ATOM 0 HG3 MET A 567 56.832 -3.224 -13.792 1.00 0.00 H new ATOM 0 HE1 MET A 567 54.497 -2.551 -10.855 1.00 0.00 H new ATOM 0 HE2 MET A 567 54.448 -3.836 -12.086 1.00 0.00 H new ATOM 0 HE3 MET A 567 56.011 -3.282 -11.439 1.00 0.00 H new ATOM 742 N LYS A 568 55.418 -2.987 -18.252 1.00 0.00 N ATOM 743 CA LYS A 568 54.375 -3.685 -19.003 1.00 0.00 C ATOM 744 C LYS A 568 54.964 -4.876 -19.761 1.00 0.00 C ATOM 745 O LYS A 568 54.305 -5.905 -19.923 1.00 0.00 O ATOM 746 CB LYS A 568 53.704 -2.727 -19.988 1.00 0.00 C ATOM 747 CG LYS A 568 52.974 -1.628 -19.215 1.00 0.00 C ATOM 748 CD LYS A 568 52.320 -0.656 -20.200 1.00 0.00 C ATOM 749 CE LYS A 568 51.110 -1.326 -20.852 1.00 0.00 C ATOM 750 NZ LYS A 568 50.247 -0.288 -21.483 1.00 0.00 N ATOM 0 H LYS A 568 55.636 -2.052 -18.596 1.00 0.00 H new ATOM 0 HA LYS A 568 53.631 -4.052 -18.296 1.00 0.00 H new ATOM 0 HB2 LYS A 568 54.451 -2.287 -20.649 1.00 0.00 H new ATOM 0 HB3 LYS A 568 53.001 -3.271 -20.619 1.00 0.00 H new ATOM 0 HG2 LYS A 568 52.217 -2.068 -18.565 1.00 0.00 H new ATOM 0 HG3 LYS A 568 53.675 -1.094 -18.573 1.00 0.00 H new ATOM 0 HD2 LYS A 568 52.011 0.251 -19.681 1.00 0.00 H new ATOM 0 HD3 LYS A 568 53.038 -0.357 -20.963 1.00 0.00 H new ATOM 0 HE2 LYS A 568 51.439 -2.045 -21.602 1.00 0.00 H new ATOM 0 HE3 LYS A 568 50.542 -1.881 -20.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 49.424 -0.744 -21.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 49.922 0.382 -20.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 50.792 0.223 -22.207 1.00 0.00 H new ATOM 764 N ASN A 569 56.206 -4.725 -20.225 1.00 0.00 N ATOM 765 CA ASN A 569 56.905 -5.812 -20.915 1.00 0.00 C ATOM 766 C ASN A 569 57.132 -6.997 -19.965 1.00 0.00 C ATOM 767 O ASN A 569 57.542 -6.800 -18.820 1.00 0.00 O ATOM 768 CB ASN A 569 58.255 -5.305 -21.440 1.00 0.00 C ATOM 769 CG ASN A 569 58.651 -6.059 -22.706 1.00 0.00 C ATOM 770 OD1 ASN A 569 59.713 -6.678 -22.754 1.00 0.00 O ATOM 771 ND2 ASN A 569 57.854 -6.043 -23.740 1.00 0.00 N ATOM 0 H ASN A 569 56.747 -3.865 -20.136 1.00 0.00 H new ATOM 0 HA ASN A 569 56.290 -6.148 -21.750 1.00 0.00 H new ATOM 0 HB2 ASN A 569 58.193 -4.237 -21.650 1.00 0.00 H new ATOM 0 HB3 ASN A 569 59.022 -5.436 -20.676 1.00 0.00 H new ATOM 0 HD21 ASN A 569 58.111 -6.545 -24.590 1.00 0.00 H new ATOM 0 HD22 ASN A 569 56.974 -5.529 -23.698 1.00 0.00 H new ATOM 778 N PRO A 570 56.885 -8.215 -20.411 1.00 0.00 N ATOM 779 CA PRO A 570 56.857 -9.398 -19.492 1.00 0.00 C ATOM 780 C PRO A 570 58.233 -9.722 -18.910 1.00 0.00 C ATOM 781 O PRO A 570 58.361 -9.981 -17.712 1.00 0.00 O ATOM 782 CB PRO A 570 56.348 -10.544 -20.372 1.00 0.00 C ATOM 783 CG PRO A 570 56.690 -10.154 -21.768 1.00 0.00 C ATOM 784 CD PRO A 570 56.656 -8.627 -21.813 1.00 0.00 C ATOM 0 HA PRO A 570 56.225 -9.214 -18.623 1.00 0.00 H new ATOM 0 HB2 PRO A 570 56.822 -11.488 -20.101 1.00 0.00 H new ATOM 0 HB3 PRO A 570 55.273 -10.681 -20.255 1.00 0.00 H new ATOM 0 HG2 PRO A 570 57.676 -10.528 -22.045 1.00 0.00 H new ATOM 0 HG3 PRO A 570 55.977 -10.579 -22.475 1.00 0.00 H new ATOM 0 HD2 PRO A 570 57.426 -8.231 -22.475 1.00 0.00 H new ATOM 0 HD3 PRO A 570 55.699 -8.261 -22.184 1.00 0.00 H new ATOM 792 N GLU A 571 59.268 -9.650 -19.750 1.00 0.00 N ATOM 793 CA GLU A 571 60.615 -10.021 -19.317 1.00 0.00 C ATOM 794 C GLU A 571 61.130 -9.006 -18.302 1.00 0.00 C ATOM 795 O GLU A 571 61.659 -9.370 -17.246 1.00 0.00 O ATOM 796 CB GLU A 571 61.559 -10.078 -20.522 1.00 0.00 C ATOM 797 CG GLU A 571 62.882 -10.729 -20.110 1.00 0.00 C ATOM 798 CD GLU A 571 63.877 -10.672 -21.265 1.00 0.00 C ATOM 799 OE1 GLU A 571 63.950 -9.639 -21.910 1.00 0.00 O ATOM 800 OE2 GLU A 571 64.551 -11.665 -21.489 1.00 0.00 O ATOM 0 H GLU A 571 59.201 -9.343 -20.720 1.00 0.00 H new ATOM 0 HA GLU A 571 60.578 -11.006 -18.851 1.00 0.00 H new ATOM 0 HB2 GLU A 571 61.099 -10.647 -21.330 1.00 0.00 H new ATOM 0 HB3 GLU A 571 61.740 -9.073 -20.902 1.00 0.00 H new ATOM 0 HG2 GLU A 571 63.293 -10.216 -19.240 1.00 0.00 H new ATOM 0 HG3 GLU A 571 62.711 -11.765 -19.818 1.00 0.00 H new ATOM 807 N VAL A 572 60.879 -7.732 -18.583 1.00 0.00 N ATOM 808 CA VAL A 572 61.277 -6.674 -17.668 1.00 0.00 C ATOM 809 C VAL A 572 60.368 -6.687 -16.439 1.00 0.00 C ATOM 810 O VAL A 572 60.819 -6.414 -15.335 1.00 0.00 O ATOM 811 CB VAL A 572 61.216 -5.311 -18.369 1.00 0.00 C ATOM 812 CG1 VAL A 572 61.672 -4.204 -17.412 1.00 0.00 C ATOM 813 CG2 VAL A 572 62.137 -5.326 -19.591 1.00 0.00 C ATOM 0 H VAL A 572 60.407 -7.411 -19.428 1.00 0.00 H new ATOM 0 HA VAL A 572 62.305 -6.847 -17.349 1.00 0.00 H new ATOM 0 HB VAL A 572 60.189 -5.118 -18.678 1.00 0.00 H new ATOM 0 HG11 VAL A 572 61.625 -3.241 -17.921 1.00 0.00 H new ATOM 0 HG12 VAL A 572 61.019 -4.186 -16.539 1.00 0.00 H new ATOM 0 HG13 VAL A 572 62.697 -4.397 -17.095 1.00 0.00 H new ATOM 0 HG21 VAL A 572 62.095 -4.358 -20.090 1.00 0.00 H new ATOM 0 HG22 VAL A 572 63.160 -5.526 -19.273 1.00 0.00 H new ATOM 0 HG23 VAL A 572 61.813 -6.105 -20.281 1.00 0.00 H new ATOM 823 N PHE A 573 59.098 -7.060 -16.628 1.00 0.00 N ATOM 824 CA PHE A 573 58.141 -7.104 -15.516 1.00 0.00 C ATOM 825 C PHE A 573 58.684 -7.954 -14.363 1.00 0.00 C ATOM 826 O PHE A 573 58.680 -7.521 -13.211 1.00 0.00 O ATOM 827 CB PHE A 573 56.808 -7.684 -16.009 1.00 0.00 C ATOM 828 CG PHE A 573 55.738 -7.780 -14.941 1.00 0.00 C ATOM 829 CD1 PHE A 573 55.139 -6.604 -14.424 1.00 0.00 C ATOM 830 CD2 PHE A 573 55.331 -9.050 -14.462 1.00 0.00 C ATOM 831 CE1 PHE A 573 54.134 -6.699 -13.431 1.00 0.00 C ATOM 832 CE2 PHE A 573 54.326 -9.144 -13.468 1.00 0.00 C ATOM 833 CZ PHE A 573 53.728 -7.969 -12.953 1.00 0.00 C ATOM 0 H PHE A 573 58.711 -7.334 -17.531 1.00 0.00 H new ATOM 0 HA PHE A 573 57.986 -6.089 -15.149 1.00 0.00 H new ATOM 0 HB2 PHE A 573 56.436 -7.065 -16.826 1.00 0.00 H new ATOM 0 HB3 PHE A 573 56.987 -8.678 -16.418 1.00 0.00 H new ATOM 0 HD1 PHE A 573 55.449 -5.635 -14.787 1.00 0.00 H new ATOM 0 HD2 PHE A 573 55.787 -9.947 -14.855 1.00 0.00 H new ATOM 0 HE1 PHE A 573 53.677 -5.803 -13.038 1.00 0.00 H new ATOM 0 HE2 PHE A 573 54.016 -10.112 -13.103 1.00 0.00 H new ATOM 0 HZ PHE A 573 52.962 -8.041 -12.195 1.00 0.00 H new ATOM 843 N LYS A 574 59.208 -9.136 -14.694 1.00 0.00 N ATOM 844 CA LYS A 574 59.813 -10.010 -13.686 1.00 0.00 C ATOM 845 C LYS A 574 60.994 -9.315 -12.999 1.00 0.00 C ATOM 846 O LYS A 574 61.065 -9.261 -11.771 1.00 0.00 O ATOM 847 CB LYS A 574 60.299 -11.304 -14.346 1.00 0.00 C ATOM 848 CG LYS A 574 60.643 -12.335 -13.270 1.00 0.00 C ATOM 849 CD LYS A 574 61.170 -13.610 -13.932 1.00 0.00 C ATOM 850 CE LYS A 574 61.365 -14.695 -12.872 1.00 0.00 C ATOM 851 NZ LYS A 574 62.682 -14.504 -12.201 1.00 0.00 N ATOM 0 H LYS A 574 59.226 -9.508 -15.644 1.00 0.00 H new ATOM 0 HA LYS A 574 59.057 -10.240 -12.935 1.00 0.00 H new ATOM 0 HB2 LYS A 574 59.527 -11.698 -15.007 1.00 0.00 H new ATOM 0 HB3 LYS A 574 61.175 -11.102 -14.963 1.00 0.00 H new ATOM 0 HG2 LYS A 574 61.392 -11.930 -12.590 1.00 0.00 H new ATOM 0 HG3 LYS A 574 59.760 -12.561 -12.673 1.00 0.00 H new ATOM 0 HD2 LYS A 574 60.469 -13.953 -14.693 1.00 0.00 H new ATOM 0 HD3 LYS A 574 62.114 -13.406 -14.437 1.00 0.00 H new ATOM 0 HE2 LYS A 574 60.561 -14.649 -12.138 1.00 0.00 H new ATOM 0 HE3 LYS A 574 61.320 -15.681 -13.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 574 63.173 -15.418 -12.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 574 63.260 -13.840 -12.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 574 62.533 -14.120 -11.246 1.00 0.00 H new ATOM 865 N LYS A 575 61.880 -8.727 -13.802 1.00 0.00 N ATOM 866 CA LYS A 575 63.104 -8.117 -13.274 1.00 0.00 C ATOM 867 C LYS A 575 62.791 -6.924 -12.366 1.00 0.00 C ATOM 868 O LYS A 575 63.247 -6.862 -11.218 1.00 0.00 O ATOM 869 CB LYS A 575 63.991 -7.656 -14.430 1.00 0.00 C ATOM 870 CG LYS A 575 64.681 -8.867 -15.061 1.00 0.00 C ATOM 871 CD LYS A 575 65.645 -8.395 -16.152 1.00 0.00 C ATOM 872 CE LYS A 575 66.257 -9.608 -16.854 1.00 0.00 C ATOM 873 NZ LYS A 575 65.304 -10.122 -17.879 1.00 0.00 N ATOM 0 H LYS A 575 61.776 -8.659 -14.814 1.00 0.00 H new ATOM 0 HA LYS A 575 63.624 -8.869 -12.681 1.00 0.00 H new ATOM 0 HB2 LYS A 575 63.391 -7.136 -15.177 1.00 0.00 H new ATOM 0 HB3 LYS A 575 64.736 -6.947 -14.070 1.00 0.00 H new ATOM 0 HG2 LYS A 575 65.223 -9.427 -14.299 1.00 0.00 H new ATOM 0 HG3 LYS A 575 63.938 -9.542 -15.485 1.00 0.00 H new ATOM 0 HD2 LYS A 575 65.117 -7.772 -16.874 1.00 0.00 H new ATOM 0 HD3 LYS A 575 66.431 -7.779 -15.715 1.00 0.00 H new ATOM 0 HE2 LYS A 575 67.200 -9.331 -17.325 1.00 0.00 H new ATOM 0 HE3 LYS A 575 66.481 -10.388 -16.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 575 65.640 -11.039 -18.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 575 64.364 -10.241 -17.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 575 65.242 -9.445 -18.666 1.00 0.00 H new ATOM 887 N ILE A 576 61.986 -5.990 -12.876 1.00 0.00 N ATOM 888 CA ILE A 576 61.651 -4.769 -12.133 1.00 0.00 C ATOM 889 C ILE A 576 61.030 -5.129 -10.771 1.00 0.00 C ATOM 890 O ILE A 576 61.465 -4.636 -9.726 1.00 0.00 O ATOM 891 CB ILE A 576 60.668 -3.904 -12.955 1.00 0.00 C ATOM 892 CG1 ILE A 576 61.279 -3.562 -14.334 1.00 0.00 C ATOM 893 CG2 ILE A 576 60.326 -2.611 -12.194 1.00 0.00 C ATOM 894 CD1 ILE A 576 62.414 -2.539 -14.210 1.00 0.00 C ATOM 0 H ILE A 576 61.554 -6.053 -13.798 1.00 0.00 H new ATOM 0 HA ILE A 576 62.564 -4.199 -11.961 1.00 0.00 H new ATOM 0 HB ILE A 576 59.751 -4.473 -13.108 1.00 0.00 H new ATOM 0 HG12 ILE A 576 61.657 -4.471 -14.801 1.00 0.00 H new ATOM 0 HG13 ILE A 576 60.502 -3.167 -14.989 1.00 0.00 H new ATOM 0 HG21 ILE A 576 59.633 -2.013 -12.786 1.00 0.00 H new ATOM 0 HG22 ILE A 576 59.864 -2.862 -11.239 1.00 0.00 H new ATOM 0 HG23 ILE A 576 61.238 -2.041 -12.017 1.00 0.00 H new ATOM 0 HD11 ILE A 576 62.819 -2.323 -15.199 1.00 0.00 H new ATOM 0 HD12 ILE A 576 62.029 -1.620 -13.767 1.00 0.00 H new ATOM 0 HD13 ILE A 576 63.202 -2.945 -13.576 1.00 0.00 H new ATOM 906 N GLN A 577 60.059 -6.043 -10.789 1.00 0.00 N ATOM 907 CA GLN A 577 59.377 -6.462 -9.561 1.00 0.00 C ATOM 908 C GLN A 577 60.361 -7.043 -8.542 1.00 0.00 C ATOM 909 O GLN A 577 60.238 -6.796 -7.344 1.00 0.00 O ATOM 910 CB GLN A 577 58.310 -7.510 -9.884 1.00 0.00 C ATOM 911 CG GLN A 577 57.136 -6.839 -10.599 1.00 0.00 C ATOM 912 CD GLN A 577 55.997 -7.838 -10.775 1.00 0.00 C ATOM 913 OE1 GLN A 577 56.187 -8.897 -11.375 1.00 0.00 O ATOM 914 NE2 GLN A 577 54.820 -7.565 -10.282 1.00 0.00 N ATOM 0 H GLN A 577 59.727 -6.506 -11.635 1.00 0.00 H new ATOM 0 HA GLN A 577 58.911 -5.578 -9.126 1.00 0.00 H new ATOM 0 HB2 GLN A 577 58.733 -8.293 -10.513 1.00 0.00 H new ATOM 0 HB3 GLN A 577 57.966 -7.989 -8.967 1.00 0.00 H new ATOM 0 HG2 GLN A 577 56.792 -5.979 -10.024 1.00 0.00 H new ATOM 0 HG3 GLN A 577 57.457 -6.465 -11.571 1.00 0.00 H new ATOM 0 HE21 GLN A 577 54.666 -6.687 -9.786 1.00 0.00 H new ATOM 0 HE22 GLN A 577 54.054 -8.229 -10.393 1.00 0.00 H new ATOM 923 N THR A 578 61.340 -7.812 -9.028 1.00 0.00 N ATOM 924 CA THR A 578 62.282 -8.501 -8.143 1.00 0.00 C ATOM 925 C THR A 578 62.990 -7.521 -7.202 1.00 0.00 C ATOM 926 O THR A 578 62.964 -7.700 -5.983 1.00 0.00 O ATOM 927 CB THR A 578 63.324 -9.261 -8.975 1.00 0.00 C ATOM 928 OG1 THR A 578 62.660 -10.043 -9.957 1.00 0.00 O ATOM 929 CG2 THR A 578 64.153 -10.181 -8.071 1.00 0.00 C ATOM 0 H THR A 578 61.500 -7.972 -10.023 1.00 0.00 H new ATOM 0 HA THR A 578 61.713 -9.204 -7.535 1.00 0.00 H new ATOM 0 HB THR A 578 63.987 -8.543 -9.457 1.00 0.00 H new ATOM 0 HG1 THR A 578 62.417 -9.475 -10.718 1.00 0.00 H new ATOM 0 HG21 THR A 578 64.889 -10.715 -8.672 1.00 0.00 H new ATOM 0 HG22 THR A 578 64.665 -9.584 -7.316 1.00 0.00 H new ATOM 0 HG23 THR A 578 63.495 -10.899 -7.581 1.00 0.00 H new ATOM 937 N LEU A 579 63.562 -6.454 -7.759 1.00 0.00 N ATOM 938 CA LEU A 579 64.327 -5.513 -6.934 1.00 0.00 C ATOM 939 C LEU A 579 63.415 -4.756 -5.969 1.00 0.00 C ATOM 940 O LEU A 579 63.830 -4.419 -4.858 1.00 0.00 O ATOM 941 CB LEU A 579 65.102 -4.508 -7.799 1.00 0.00 C ATOM 942 CG LEU A 579 66.111 -5.217 -8.728 1.00 0.00 C ATOM 943 CD1 LEU A 579 67.024 -4.166 -9.375 1.00 0.00 C ATOM 944 CD2 LEU A 579 66.984 -6.211 -7.945 1.00 0.00 C ATOM 0 H LEU A 579 63.515 -6.221 -8.751 1.00 0.00 H new ATOM 0 HA LEU A 579 65.040 -6.104 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 579 64.401 -3.927 -8.398 1.00 0.00 H new ATOM 0 HB3 LEU A 579 65.631 -3.805 -7.155 1.00 0.00 H new ATOM 0 HG LEU A 579 65.551 -5.764 -9.487 1.00 0.00 H new ATOM 0 HD11 LEU A 579 67.739 -4.660 -10.032 1.00 0.00 H new ATOM 0 HD12 LEU A 579 66.421 -3.467 -9.955 1.00 0.00 H new ATOM 0 HD13 LEU A 579 67.561 -3.623 -8.598 1.00 0.00 H new ATOM 0 HD21 LEU A 579 67.685 -6.695 -8.626 1.00 0.00 H new ATOM 0 HD22 LEU A 579 67.538 -5.678 -7.172 1.00 0.00 H new ATOM 0 HD23 LEU A 579 66.349 -6.966 -7.481 1.00 0.00 H new ATOM 956 N ILE A 580 62.177 -4.487 -6.390 1.00 0.00 N ATOM 957 CA ILE A 580 61.228 -3.765 -5.537 1.00 0.00 C ATOM 958 C ILE A 580 60.874 -4.601 -4.301 1.00 0.00 C ATOM 959 O ILE A 580 60.949 -4.115 -3.171 1.00 0.00 O ATOM 960 CB ILE A 580 59.953 -3.430 -6.332 1.00 0.00 C ATOM 961 CG1 ILE A 580 60.328 -2.600 -7.566 1.00 0.00 C ATOM 962 CG2 ILE A 580 58.990 -2.618 -5.458 1.00 0.00 C ATOM 963 CD1 ILE A 580 59.115 -2.474 -8.493 1.00 0.00 C ATOM 0 H ILE A 580 61.811 -4.754 -7.304 1.00 0.00 H new ATOM 0 HA ILE A 580 61.694 -2.837 -5.206 1.00 0.00 H new ATOM 0 HB ILE A 580 59.470 -4.358 -6.638 1.00 0.00 H new ATOM 0 HG12 ILE A 580 60.669 -1.611 -7.261 1.00 0.00 H new ATOM 0 HG13 ILE A 580 61.155 -3.072 -8.096 1.00 0.00 H new ATOM 0 HG21 ILE A 580 58.090 -2.385 -6.028 1.00 0.00 H new ATOM 0 HG22 ILE A 580 58.721 -3.199 -4.576 1.00 0.00 H new ATOM 0 HG23 ILE A 580 59.473 -1.692 -5.148 1.00 0.00 H new ATOM 0 HD11 ILE A 580 59.386 -1.884 -9.368 1.00 0.00 H new ATOM 0 HD12 ILE A 580 58.794 -3.466 -8.810 1.00 0.00 H new ATOM 0 HD13 ILE A 580 58.300 -1.982 -7.961 1.00 0.00 H new ATOM 975 N ALA A 581 60.493 -5.858 -4.530 1.00 0.00 N ATOM 976 CA ALA A 581 60.147 -6.769 -3.437 1.00 0.00 C ATOM 977 C ALA A 581 61.330 -6.977 -2.488 1.00 0.00 C ATOM 978 O ALA A 581 61.143 -7.234 -1.297 1.00 0.00 O ATOM 979 CB ALA A 581 59.712 -8.123 -4.005 1.00 0.00 C ATOM 0 H ALA A 581 60.416 -6.269 -5.461 1.00 0.00 H new ATOM 0 HA ALA A 581 59.328 -6.320 -2.875 1.00 0.00 H new ATOM 0 HB1 ALA A 581 59.456 -8.796 -3.186 1.00 0.00 H new ATOM 0 HB2 ALA A 581 58.842 -7.986 -4.647 1.00 0.00 H new ATOM 0 HB3 ALA A 581 60.528 -8.553 -4.586 1.00 0.00 H new ATOM 985 N ALA A 582 62.546 -6.865 -3.026 1.00 0.00 N ATOM 986 CA ALA A 582 63.757 -7.030 -2.224 1.00 0.00 C ATOM 987 C ALA A 582 64.060 -5.790 -1.366 1.00 0.00 C ATOM 988 O ALA A 582 65.037 -5.788 -0.616 1.00 0.00 O ATOM 989 CB ALA A 582 64.948 -7.314 -3.143 1.00 0.00 C ATOM 0 H ALA A 582 62.717 -6.661 -4.011 1.00 0.00 H new ATOM 0 HA ALA A 582 63.589 -7.869 -1.548 1.00 0.00 H new ATOM 0 HB1 ALA A 582 65.850 -7.437 -2.543 1.00 0.00 H new ATOM 0 HB2 ALA A 582 64.762 -8.227 -3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 582 65.082 -6.481 -3.833 1.00 0.00 H new ATOM 995 N GLY A 583 63.232 -4.743 -1.471 1.00 0.00 N ATOM 996 CA GLY A 583 63.462 -3.517 -0.706 1.00 0.00 C ATOM 997 C GLY A 583 64.654 -2.724 -1.246 1.00 0.00 C ATOM 998 O GLY A 583 65.244 -1.916 -0.527 1.00 0.00 O ATOM 0 H GLY A 583 62.407 -4.722 -2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 583 62.567 -2.895 -0.739 1.00 0.00 H new ATOM 0 HA3 GLY A 583 63.637 -3.769 0.340 1.00 0.00 H new ATOM 1002 N ILE A 584 64.998 -2.951 -2.514 1.00 0.00 N ATOM 1003 CA ILE A 584 66.132 -2.261 -3.132 1.00 0.00 C ATOM 1004 C ILE A 584 65.676 -0.970 -3.818 1.00 0.00 C ATOM 1005 O ILE A 584 66.467 -0.042 -3.996 1.00 0.00 O ATOM 1006 CB ILE A 584 66.817 -3.169 -4.164 1.00 0.00 C ATOM 1007 CG1 ILE A 584 67.001 -4.575 -3.572 1.00 0.00 C ATOM 1008 CG2 ILE A 584 68.186 -2.582 -4.517 1.00 0.00 C ATOM 1009 CD1 ILE A 584 67.544 -5.533 -4.636 1.00 0.00 C ATOM 0 H ILE A 584 64.512 -3.603 -3.130 1.00 0.00 H new ATOM 0 HA ILE A 584 66.841 -2.013 -2.342 1.00 0.00 H new ATOM 0 HB ILE A 584 66.201 -3.234 -5.061 1.00 0.00 H new ATOM 0 HG12 ILE A 584 67.687 -4.534 -2.726 1.00 0.00 H new ATOM 0 HG13 ILE A 584 66.048 -4.945 -3.192 1.00 0.00 H new ATOM 0 HG21 ILE A 584 68.678 -3.222 -5.249 1.00 0.00 H new ATOM 0 HG22 ILE A 584 68.057 -1.584 -4.935 1.00 0.00 H new ATOM 0 HG23 ILE A 584 68.799 -2.522 -3.618 1.00 0.00 H new ATOM 0 HD11 ILE A 584 67.669 -6.525 -4.202 1.00 0.00 H new ATOM 0 HD12 ILE A 584 66.843 -5.587 -5.469 1.00 0.00 H new ATOM 0 HD13 ILE A 584 68.507 -5.170 -4.995 1.00 0.00 H new ATOM 1021 N ILE A 585 64.395 -0.912 -4.187 1.00 0.00 N ATOM 1022 CA ILE A 585 63.855 0.243 -4.901 1.00 0.00 C ATOM 1023 C ILE A 585 62.627 0.775 -4.159 1.00 0.00 C ATOM 1024 O ILE A 585 61.995 0.044 -3.394 1.00 0.00 O ATOM 1025 CB ILE A 585 63.471 -0.159 -6.333 1.00 0.00 C ATOM 1026 CG1 ILE A 585 64.682 -0.786 -7.034 1.00 0.00 C ATOM 1027 CG2 ILE A 585 63.023 1.077 -7.120 1.00 0.00 C ATOM 1028 CD1 ILE A 585 64.241 -1.410 -8.361 1.00 0.00 C ATOM 0 H ILE A 585 63.715 -1.650 -4.003 1.00 0.00 H new ATOM 0 HA ILE A 585 64.613 1.025 -4.947 1.00 0.00 H new ATOM 0 HB ILE A 585 62.654 -0.880 -6.291 1.00 0.00 H new ATOM 0 HG12 ILE A 585 65.444 -0.028 -7.213 1.00 0.00 H new ATOM 0 HG13 ILE A 585 65.132 -1.546 -6.395 1.00 0.00 H new ATOM 0 HG21 ILE A 585 62.752 0.784 -8.134 1.00 0.00 H new ATOM 0 HG22 ILE A 585 62.160 1.527 -6.630 1.00 0.00 H new ATOM 0 HG23 ILE A 585 63.838 1.800 -7.156 1.00 0.00 H new ATOM 0 HD11 ILE A 585 65.103 -1.855 -8.858 1.00 0.00 H new ATOM 0 HD12 ILE A 585 63.494 -2.181 -8.170 1.00 0.00 H new ATOM 0 HD13 ILE A 585 63.812 -0.639 -9.001 1.00 0.00 H new ATOM 1040 N ARG A 586 62.296 2.046 -4.391 1.00 0.00 N ATOM 1041 CA ARG A 586 61.163 2.669 -3.708 1.00 0.00 C ATOM 1042 C ARG A 586 60.300 3.452 -4.696 1.00 0.00 C ATOM 1043 O ARG A 586 60.813 4.219 -5.511 1.00 0.00 O ATOM 1044 CB ARG A 586 61.667 3.608 -2.611 1.00 0.00 C ATOM 1045 CG ARG A 586 62.375 2.792 -1.527 1.00 0.00 C ATOM 1046 CD ARG A 586 62.768 3.712 -0.368 1.00 0.00 C ATOM 1047 NE ARG A 586 63.665 4.772 -0.837 1.00 0.00 N ATOM 1048 CZ ARG A 586 64.162 5.705 -0.013 1.00 0.00 C ATOM 1049 NH1 ARG A 586 63.868 5.715 1.266 1.00 0.00 N ATOM 1050 NH2 ARG A 586 64.957 6.622 -0.493 1.00 0.00 N ATOM 0 H ARG A 586 62.791 2.658 -5.040 1.00 0.00 H new ATOM 0 HA ARG A 586 60.556 1.881 -3.262 1.00 0.00 H new ATOM 0 HB2 ARG A 586 62.352 4.343 -3.033 1.00 0.00 H new ATOM 0 HB3 ARG A 586 60.833 4.161 -2.179 1.00 0.00 H new ATOM 0 HG2 ARG A 586 61.720 1.998 -1.169 1.00 0.00 H new ATOM 0 HG3 ARG A 586 63.262 2.311 -1.940 1.00 0.00 H new ATOM 0 HD2 ARG A 586 61.874 4.153 0.074 1.00 0.00 H new ATOM 0 HD3 ARG A 586 63.258 3.132 0.414 1.00 0.00 H new ATOM 0 HE ARG A 586 63.920 4.801 -1.824 1.00 0.00 H new ATOM 0 HH11 ARG A 586 63.249 5.002 1.653 1.00 0.00 H new ATOM 0 HH12 ARG A 586 64.259 6.435 1.873 1.00 0.00 H new ATOM 0 HH21 ARG A 586 65.194 6.623 -1.485 1.00 0.00 H new ATOM 0 HH22 ARG A 586 65.342 7.337 0.124 1.00 0.00 H new