USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=12 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 Single : A 530 THR OG1 : rot 180:sc= 0.00964 USER MOD Single : A 531 TYR OH : rot 180:sc= 0 USER MOD Single : A 532 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 535 MET CE :methyl 139:sc= -2.09 (180deg=-3.29!) USER MOD Single : A 536 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.1) USER MOD Single : A 544 MET CE :methyl 173:sc= -0.0074 (180deg=-0.0394) USER MOD Single : A 545 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 549 MET CE :methyl -171:sc= -6.87! (180deg=-7.64!) USER MOD Single : A 550 GLN : amide:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 551 SER OG : rot 180:sc= 0 USER MOD Single : A 554 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 555 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.62) USER MOD Single : A 557 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 558 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 559 ASN : amide:sc= -0.0128 K(o=-0.013,f=-2) USER MOD Single : A 564 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 566 HIS :FLIP no HD1:sc= -5.02! C(o=-6.1!,f=-5!) USER MOD Single : A 567 MET CE :methyl 142:sc= -2.98! (180deg=-3.89!) USER MOD Single : A 568 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 569 ASN : amide:sc= -1.97 K(o=-2,f=-3.5!) USER MOD Single : A 574 LYS NZ :NH3+ -161:sc=-0.00532 (180deg=-0.21) USER MOD Single : A 575 LYS NZ :NH3+ -109:sc= 0.603 (180deg=-0.227) USER MOD Single : A 577 GLN : amide:sc= -4.83 X(o=-4.8,f=-4.6!) USER MOD Single : A 578 THR OG1 : rot 86:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 527 69.907 0.810 5.169 1.00 0.00 N ATOM 108 CA PRO A 527 69.852 0.388 3.732 1.00 0.00 C ATOM 109 C PRO A 527 70.772 -0.800 3.440 1.00 0.00 C ATOM 110 O PRO A 527 70.472 -1.635 2.583 1.00 0.00 O ATOM 111 CB PRO A 527 70.319 1.629 2.970 1.00 0.00 C ATOM 112 CG PRO A 527 69.969 2.782 3.844 1.00 0.00 C ATOM 113 CD PRO A 527 70.038 2.277 5.286 1.00 0.00 C ATOM 0 HA PRO A 527 68.855 0.053 3.447 1.00 0.00 H new ATOM 0 HB2 PRO A 527 71.391 1.592 2.778 1.00 0.00 H new ATOM 0 HB3 PRO A 527 69.824 1.705 2.002 1.00 0.00 H new ATOM 0 HG2 PRO A 527 70.662 3.609 3.690 1.00 0.00 H new ATOM 0 HG3 PRO A 527 68.971 3.155 3.612 1.00 0.00 H new ATOM 0 HD2 PRO A 527 70.979 2.555 5.760 1.00 0.00 H new ATOM 0 HD3 PRO A 527 69.238 2.700 5.894 1.00 0.00 H new ATOM 121 N GLU A 528 71.881 -0.880 4.178 1.00 0.00 N ATOM 122 CA GLU A 528 72.852 -1.958 3.986 1.00 0.00 C ATOM 123 C GLU A 528 72.205 -3.324 4.213 1.00 0.00 C ATOM 124 O GLU A 528 72.513 -4.287 3.507 1.00 0.00 O ATOM 125 CB GLU A 528 74.030 -1.779 4.950 1.00 0.00 C ATOM 126 CG GLU A 528 75.169 -2.724 4.557 1.00 0.00 C ATOM 127 CD GLU A 528 76.292 -2.650 5.589 1.00 0.00 C ATOM 128 OE1 GLU A 528 75.985 -2.613 6.770 1.00 0.00 O ATOM 129 OE2 GLU A 528 77.442 -2.630 5.182 1.00 0.00 O ATOM 0 H GLU A 528 72.128 -0.215 4.911 1.00 0.00 H new ATOM 0 HA GLU A 528 73.212 -1.912 2.958 1.00 0.00 H new ATOM 0 HB2 GLU A 528 74.377 -0.746 4.927 1.00 0.00 H new ATOM 0 HB3 GLU A 528 73.710 -1.985 5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 528 74.796 -3.746 4.486 1.00 0.00 H new ATOM 0 HG3 GLU A 528 75.551 -2.455 3.572 1.00 0.00 H new ATOM 136 N GLU A 529 71.271 -3.392 5.163 1.00 0.00 N ATOM 137 CA GLU A 529 70.617 -4.657 5.487 1.00 0.00 C ATOM 138 C GLU A 529 69.754 -5.127 4.318 1.00 0.00 C ATOM 139 O GLU A 529 69.767 -6.304 3.960 1.00 0.00 O ATOM 140 CB GLU A 529 69.742 -4.496 6.731 1.00 0.00 C ATOM 141 CG GLU A 529 69.384 -5.876 7.286 1.00 0.00 C ATOM 142 CD GLU A 529 68.411 -5.732 8.452 1.00 0.00 C ATOM 143 OE1 GLU A 529 68.795 -5.142 9.449 1.00 0.00 O ATOM 144 OE2 GLU A 529 67.298 -6.215 8.331 1.00 0.00 O ATOM 0 H GLU A 529 70.954 -2.595 5.715 1.00 0.00 H new ATOM 0 HA GLU A 529 71.390 -5.401 5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 529 70.270 -3.914 7.487 1.00 0.00 H new ATOM 0 HB3 GLU A 529 68.835 -3.946 6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 529 68.937 -6.488 6.502 1.00 0.00 H new ATOM 0 HG3 GLU A 529 70.287 -6.390 7.616 1.00 0.00 H new ATOM 151 N THR A 530 69.028 -4.189 3.705 1.00 0.00 N ATOM 152 CA THR A 530 68.144 -4.516 2.586 1.00 0.00 C ATOM 153 C THR A 530 68.924 -5.148 1.434 1.00 0.00 C ATOM 154 O THR A 530 68.536 -6.194 0.914 1.00 0.00 O ATOM 155 CB THR A 530 67.438 -3.250 2.091 1.00 0.00 C ATOM 156 OG1 THR A 530 66.942 -2.521 3.204 1.00 0.00 O ATOM 157 CG2 THR A 530 66.276 -3.633 1.171 1.00 0.00 C ATOM 0 H THR A 530 69.035 -3.202 3.964 1.00 0.00 H new ATOM 0 HA THR A 530 67.405 -5.235 2.939 1.00 0.00 H new ATOM 0 HB THR A 530 68.146 -2.634 1.537 1.00 0.00 H new ATOM 0 HG1 THR A 530 66.491 -1.710 2.889 1.00 0.00 H new ATOM 0 HG21 THR A 530 65.776 -2.730 0.821 1.00 0.00 H new ATOM 0 HG22 THR A 530 66.658 -4.191 0.316 1.00 0.00 H new ATOM 0 HG23 THR A 530 65.566 -4.251 1.720 1.00 0.00 H new ATOM 165 N TYR A 531 70.042 -4.523 1.058 1.00 0.00 N ATOM 166 CA TYR A 531 70.854 -5.019 -0.052 1.00 0.00 C ATOM 167 C TYR A 531 71.357 -6.439 0.212 1.00 0.00 C ATOM 168 O TYR A 531 71.229 -7.314 -0.642 1.00 0.00 O ATOM 169 CB TYR A 531 72.048 -4.092 -0.287 1.00 0.00 C ATOM 170 CG TYR A 531 71.655 -2.662 -0.579 1.00 0.00 C ATOM 171 CD1 TYR A 531 70.716 -2.379 -1.602 1.00 0.00 C ATOM 172 CD2 TYR A 531 72.226 -1.604 0.170 1.00 0.00 C ATOM 173 CE1 TYR A 531 70.350 -1.039 -1.875 1.00 0.00 C ATOM 174 CE2 TYR A 531 71.859 -0.264 -0.103 1.00 0.00 C ATOM 175 CZ TYR A 531 70.920 0.019 -1.126 1.00 0.00 C ATOM 176 OH TYR A 531 70.563 1.325 -1.393 1.00 0.00 O ATOM 0 H TYR A 531 70.403 -3.679 1.503 1.00 0.00 H new ATOM 0 HA TYR A 531 70.222 -5.038 -0.940 1.00 0.00 H new ATOM 0 HB2 TYR A 531 72.691 -4.111 0.593 1.00 0.00 H new ATOM 0 HB3 TYR A 531 72.637 -4.476 -1.120 1.00 0.00 H new ATOM 0 HD1 TYR A 531 70.280 -3.185 -2.173 1.00 0.00 H new ATOM 0 HD2 TYR A 531 72.942 -1.820 0.950 1.00 0.00 H new ATOM 0 HE1 TYR A 531 69.635 -0.823 -2.655 1.00 0.00 H new ATOM 0 HE2 TYR A 531 72.295 0.542 0.468 1.00 0.00 H new ATOM 0 HH TYR A 531 71.045 1.926 -0.788 1.00 0.00 H new ATOM 186 N GLN A 532 71.907 -6.672 1.407 1.00 0.00 N ATOM 187 CA GLN A 532 72.453 -7.990 1.749 1.00 0.00 C ATOM 188 C GLN A 532 71.388 -9.083 1.632 1.00 0.00 C ATOM 189 O GLN A 532 71.624 -10.131 1.021 1.00 0.00 O ATOM 190 CB GLN A 532 73.015 -7.974 3.173 1.00 0.00 C ATOM 191 CG GLN A 532 74.236 -7.053 3.231 1.00 0.00 C ATOM 192 CD GLN A 532 74.805 -7.026 4.646 1.00 0.00 C ATOM 193 OE1 GLN A 532 74.058 -7.097 5.621 1.00 0.00 O ATOM 194 NE2 GLN A 532 76.096 -6.927 4.816 1.00 0.00 N ATOM 0 H GLN A 532 71.986 -5.974 2.147 1.00 0.00 H new ATOM 0 HA GLN A 532 73.252 -8.212 1.042 1.00 0.00 H new ATOM 0 HB2 GLN A 532 72.253 -7.629 3.872 1.00 0.00 H new ATOM 0 HB3 GLN A 532 73.293 -8.983 3.477 1.00 0.00 H new ATOM 0 HG2 GLN A 532 74.996 -7.400 2.531 1.00 0.00 H new ATOM 0 HG3 GLN A 532 73.956 -6.045 2.924 1.00 0.00 H new ATOM 0 HE21 GLN A 532 76.714 -6.868 4.007 1.00 0.00 H new ATOM 0 HE22 GLN A 532 76.486 -6.908 5.758 1.00 0.00 H new ATOM 203 N ARG A 533 70.189 -8.809 2.151 1.00 0.00 N ATOM 204 CA ARG A 533 69.102 -9.787 2.100 1.00 0.00 C ATOM 205 C ARG A 533 68.788 -10.154 0.652 1.00 0.00 C ATOM 206 O ARG A 533 68.819 -11.327 0.281 1.00 0.00 O ATOM 207 CB ARG A 533 67.849 -9.217 2.773 1.00 0.00 C ATOM 208 CG ARG A 533 66.834 -10.340 3.004 1.00 0.00 C ATOM 209 CD ARG A 533 65.613 -9.780 3.735 1.00 0.00 C ATOM 210 NE ARG A 533 64.828 -8.933 2.835 1.00 0.00 N ATOM 211 CZ ARG A 533 64.044 -9.440 1.872 1.00 0.00 C ATOM 212 NH1 ARG A 533 63.945 -10.735 1.684 1.00 0.00 N ATOM 213 NH2 ARG A 533 63.368 -8.630 1.105 1.00 0.00 N ATOM 0 H ARG A 533 69.948 -7.928 2.606 1.00 0.00 H new ATOM 0 HA ARG A 533 69.417 -10.685 2.632 1.00 0.00 H new ATOM 0 HB2 ARG A 533 68.114 -8.751 3.722 1.00 0.00 H new ATOM 0 HB3 ARG A 533 67.410 -8.439 2.148 1.00 0.00 H new ATOM 0 HG2 ARG A 533 66.533 -10.775 2.051 1.00 0.00 H new ATOM 0 HG3 ARG A 533 67.287 -11.140 3.590 1.00 0.00 H new ATOM 0 HD2 ARG A 533 64.996 -10.598 4.106 1.00 0.00 H new ATOM 0 HD3 ARG A 533 65.933 -9.203 4.602 1.00 0.00 H new ATOM 0 HE ARG A 533 64.879 -7.920 2.944 1.00 0.00 H new ATOM 0 HH11 ARG A 533 64.470 -11.378 2.276 1.00 0.00 H new ATOM 0 HH12 ARG A 533 63.343 -11.099 0.946 1.00 0.00 H new ATOM 0 HH21 ARG A 533 63.439 -7.622 1.241 1.00 0.00 H new ATOM 0 HH22 ARG A 533 62.769 -9.005 0.370 1.00 0.00 H new ATOM 227 N ALA A 534 68.630 -9.130 -0.188 1.00 0.00 N ATOM 228 CA ALA A 534 68.331 -9.342 -1.605 1.00 0.00 C ATOM 229 C ALA A 534 69.448 -10.133 -2.289 1.00 0.00 C ATOM 230 O ALA A 534 69.187 -10.983 -3.140 1.00 0.00 O ATOM 231 CB ALA A 534 68.168 -7.992 -2.308 1.00 0.00 C ATOM 0 H ALA A 534 68.704 -8.150 0.086 1.00 0.00 H new ATOM 0 HA ALA A 534 67.405 -9.912 -1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 534 67.946 -8.155 -3.362 1.00 0.00 H new ATOM 0 HB2 ALA A 534 67.351 -7.438 -1.846 1.00 0.00 H new ATOM 0 HB3 ALA A 534 69.091 -7.420 -2.216 1.00 0.00 H new ATOM 237 N MET A 535 70.690 -9.864 -1.883 1.00 0.00 N ATOM 238 CA MET A 535 71.855 -10.495 -2.503 1.00 0.00 C ATOM 239 C MET A 535 71.833 -12.013 -2.317 1.00 0.00 C ATOM 240 O MET A 535 72.333 -12.753 -3.167 1.00 0.00 O ATOM 241 CB MET A 535 73.141 -9.925 -1.902 1.00 0.00 C ATOM 242 CG MET A 535 73.369 -8.507 -2.432 1.00 0.00 C ATOM 243 SD MET A 535 74.119 -8.587 -4.078 1.00 0.00 S ATOM 244 CE MET A 535 72.616 -8.260 -5.033 1.00 0.00 C ATOM 0 H MET A 535 70.914 -9.215 -1.129 1.00 0.00 H new ATOM 0 HA MET A 535 71.821 -10.280 -3.571 1.00 0.00 H new ATOM 0 HB2 MET A 535 73.071 -9.911 -0.814 1.00 0.00 H new ATOM 0 HB3 MET A 535 73.988 -10.561 -2.159 1.00 0.00 H new ATOM 0 HG2 MET A 535 72.422 -7.969 -2.478 1.00 0.00 H new ATOM 0 HG3 MET A 535 74.017 -7.954 -1.752 1.00 0.00 H new ATOM 0 HE1 MET A 535 72.848 -7.585 -5.857 1.00 0.00 H new ATOM 0 HE2 MET A 535 72.226 -9.197 -5.430 1.00 0.00 H new ATOM 0 HE3 MET A 535 71.868 -7.800 -4.388 1.00 0.00 H new ATOM 254 N LYS A 536 71.253 -12.472 -1.206 1.00 0.00 N ATOM 255 CA LYS A 536 71.162 -13.906 -0.941 1.00 0.00 C ATOM 256 C LYS A 536 70.097 -14.567 -1.822 1.00 0.00 C ATOM 257 O LYS A 536 70.146 -15.775 -2.057 1.00 0.00 O ATOM 258 CB LYS A 536 70.839 -14.150 0.534 1.00 0.00 C ATOM 259 CG LYS A 536 71.996 -13.650 1.401 1.00 0.00 C ATOM 260 CD LYS A 536 71.739 -14.023 2.862 1.00 0.00 C ATOM 261 CE LYS A 536 72.845 -13.437 3.741 1.00 0.00 C ATOM 262 NZ LYS A 536 74.111 -14.193 3.516 1.00 0.00 N ATOM 0 H LYS A 536 70.844 -11.878 -0.484 1.00 0.00 H new ATOM 0 HA LYS A 536 72.127 -14.353 -1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 536 69.918 -13.634 0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 536 70.672 -15.213 0.709 1.00 0.00 H new ATOM 0 HG2 LYS A 536 72.934 -14.090 1.062 1.00 0.00 H new ATOM 0 HG3 LYS A 536 72.097 -12.569 1.303 1.00 0.00 H new ATOM 0 HD2 LYS A 536 70.768 -13.643 3.180 1.00 0.00 H new ATOM 0 HD3 LYS A 536 71.709 -15.107 2.972 1.00 0.00 H new ATOM 0 HE2 LYS A 536 72.991 -12.383 3.505 1.00 0.00 H new ATOM 0 HE3 LYS A 536 72.558 -13.492 4.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 536 74.809 -13.924 4.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 536 73.922 -15.214 3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 536 74.486 -13.969 2.572 1.00 0.00 H new ATOM 276 N ASP A 537 69.138 -13.774 -2.302 1.00 0.00 N ATOM 277 CA ASP A 537 68.101 -14.291 -3.193 1.00 0.00 C ATOM 278 C ASP A 537 68.650 -14.446 -4.619 1.00 0.00 C ATOM 279 O ASP A 537 69.027 -13.454 -5.244 1.00 0.00 O ATOM 280 CB ASP A 537 66.903 -13.335 -3.205 1.00 0.00 C ATOM 281 CG ASP A 537 65.699 -13.974 -3.904 1.00 0.00 C ATOM 282 OD1 ASP A 537 65.863 -15.023 -4.511 1.00 0.00 O ATOM 283 OD2 ASP A 537 64.624 -13.401 -3.823 1.00 0.00 O ATOM 0 H ASP A 537 69.058 -12.779 -2.090 1.00 0.00 H new ATOM 0 HA ASP A 537 67.783 -15.268 -2.829 1.00 0.00 H new ATOM 0 HB2 ASP A 537 66.635 -13.069 -2.183 1.00 0.00 H new ATOM 0 HB3 ASP A 537 67.176 -12.411 -3.714 1.00 0.00 H new ATOM 288 N PRO A 538 68.697 -15.657 -5.152 1.00 0.00 N ATOM 289 CA PRO A 538 69.357 -15.912 -6.475 1.00 0.00 C ATOM 290 C PRO A 538 68.754 -15.075 -7.605 1.00 0.00 C ATOM 291 O PRO A 538 69.469 -14.644 -8.511 1.00 0.00 O ATOM 292 CB PRO A 538 69.137 -17.408 -6.734 1.00 0.00 C ATOM 293 CG PRO A 538 68.830 -18.006 -5.404 1.00 0.00 C ATOM 294 CD PRO A 538 68.156 -16.909 -4.585 1.00 0.00 C ATOM 0 HA PRO A 538 70.411 -15.634 -6.447 1.00 0.00 H new ATOM 0 HB2 PRO A 538 68.317 -17.568 -7.434 1.00 0.00 H new ATOM 0 HB3 PRO A 538 70.024 -17.864 -7.173 1.00 0.00 H new ATOM 0 HG2 PRO A 538 68.175 -18.871 -5.509 1.00 0.00 H new ATOM 0 HG3 PRO A 538 69.740 -18.353 -4.914 1.00 0.00 H new ATOM 0 HD2 PRO A 538 67.071 -16.952 -4.676 1.00 0.00 H new ATOM 0 HD3 PRO A 538 68.391 -17.001 -3.525 1.00 0.00 H new ATOM 302 N GLU A 539 67.451 -14.802 -7.519 1.00 0.00 N ATOM 303 CA GLU A 539 66.767 -14.062 -8.581 1.00 0.00 C ATOM 304 C GLU A 539 67.272 -12.624 -8.623 1.00 0.00 C ATOM 305 O GLU A 539 67.515 -12.073 -9.696 1.00 0.00 O ATOM 306 CB GLU A 539 65.253 -14.063 -8.355 1.00 0.00 C ATOM 307 CG GLU A 539 64.745 -15.505 -8.262 1.00 0.00 C ATOM 308 CD GLU A 539 63.226 -15.514 -8.125 1.00 0.00 C ATOM 309 OE1 GLU A 539 62.747 -15.222 -7.042 1.00 0.00 O ATOM 310 OE2 GLU A 539 62.564 -15.815 -9.105 1.00 0.00 O ATOM 0 H GLU A 539 66.856 -15.077 -6.738 1.00 0.00 H new ATOM 0 HA GLU A 539 66.981 -14.553 -9.530 1.00 0.00 H new ATOM 0 HB2 GLU A 539 65.012 -13.523 -7.439 1.00 0.00 H new ATOM 0 HB3 GLU A 539 64.753 -13.543 -9.173 1.00 0.00 H new ATOM 0 HG2 GLU A 539 65.042 -16.062 -9.151 1.00 0.00 H new ATOM 0 HG3 GLU A 539 65.199 -16.005 -7.406 1.00 0.00 H new ATOM 317 N VAL A 540 67.517 -12.054 -7.445 1.00 0.00 N ATOM 318 CA VAL A 540 68.009 -10.681 -7.351 1.00 0.00 C ATOM 319 C VAL A 540 69.401 -10.582 -7.969 1.00 0.00 C ATOM 320 O VAL A 540 69.664 -9.698 -8.783 1.00 0.00 O ATOM 321 CB VAL A 540 68.063 -10.246 -5.879 1.00 0.00 C ATOM 322 CG1 VAL A 540 68.503 -8.782 -5.770 1.00 0.00 C ATOM 323 CG2 VAL A 540 66.678 -10.408 -5.243 1.00 0.00 C ATOM 0 H VAL A 540 67.384 -12.518 -6.547 1.00 0.00 H new ATOM 0 HA VAL A 540 67.330 -10.024 -7.895 1.00 0.00 H new ATOM 0 HB VAL A 540 68.785 -10.873 -5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 540 68.536 -8.489 -4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 540 69.493 -8.666 -6.211 1.00 0.00 H new ATOM 0 HG13 VAL A 540 67.793 -8.148 -6.301 1.00 0.00 H new ATOM 0 HG21 VAL A 540 66.719 -10.099 -4.199 1.00 0.00 H new ATOM 0 HG22 VAL A 540 65.958 -9.788 -5.777 1.00 0.00 H new ATOM 0 HG23 VAL A 540 66.371 -11.452 -5.300 1.00 0.00 H new ATOM 333 N ALA A 541 70.277 -11.514 -7.601 1.00 0.00 N ATOM 334 CA ALA A 541 71.669 -11.474 -8.053 1.00 0.00 C ATOM 335 C ALA A 541 71.739 -11.469 -9.578 1.00 0.00 C ATOM 336 O ALA A 541 72.408 -10.629 -10.184 1.00 0.00 O ATOM 337 CB ALA A 541 72.422 -12.694 -7.511 1.00 0.00 C ATOM 0 H ALA A 541 70.051 -12.303 -6.995 1.00 0.00 H new ATOM 0 HA ALA A 541 72.130 -10.560 -7.678 1.00 0.00 H new ATOM 0 HB1 ALA A 541 73.458 -12.662 -7.849 1.00 0.00 H new ATOM 0 HB2 ALA A 541 72.395 -12.684 -6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 541 71.949 -13.605 -7.877 1.00 0.00 H new ATOM 343 N ALA A 542 70.973 -12.367 -10.189 1.00 0.00 N ATOM 344 CA ALA A 542 71.018 -12.549 -11.641 1.00 0.00 C ATOM 345 C ALA A 542 70.584 -11.281 -12.375 1.00 0.00 C ATOM 346 O ALA A 542 71.225 -10.870 -13.344 1.00 0.00 O ATOM 347 CB ALA A 542 70.110 -13.711 -12.051 1.00 0.00 C ATOM 0 H ALA A 542 70.315 -12.979 -9.706 1.00 0.00 H new ATOM 0 HA ALA A 542 72.049 -12.770 -11.918 1.00 0.00 H new ATOM 0 HB1 ALA A 542 70.149 -13.839 -13.133 1.00 0.00 H new ATOM 0 HB2 ALA A 542 70.448 -14.626 -11.564 1.00 0.00 H new ATOM 0 HB3 ALA A 542 69.085 -13.496 -11.748 1.00 0.00 H new ATOM 353 N ILE A 543 69.499 -10.668 -11.911 1.00 0.00 N ATOM 354 CA ILE A 543 68.948 -9.487 -12.578 1.00 0.00 C ATOM 355 C ILE A 543 69.891 -8.287 -12.425 1.00 0.00 C ATOM 356 O ILE A 543 70.163 -7.580 -13.397 1.00 0.00 O ATOM 357 CB ILE A 543 67.565 -9.156 -11.990 1.00 0.00 C ATOM 358 CG1 ILE A 543 66.650 -10.382 -12.111 1.00 0.00 C ATOM 359 CG2 ILE A 543 66.934 -7.991 -12.765 1.00 0.00 C ATOM 360 CD1 ILE A 543 65.367 -10.150 -11.309 1.00 0.00 C ATOM 0 H ILE A 543 68.985 -10.965 -11.082 1.00 0.00 H new ATOM 0 HA ILE A 543 68.843 -9.703 -13.641 1.00 0.00 H new ATOM 0 HB ILE A 543 67.683 -8.879 -10.942 1.00 0.00 H new ATOM 0 HG12 ILE A 543 66.408 -10.565 -13.158 1.00 0.00 H new ATOM 0 HG13 ILE A 543 67.165 -11.270 -11.743 1.00 0.00 H new ATOM 0 HG21 ILE A 543 65.955 -7.762 -12.344 1.00 0.00 H new ATOM 0 HG22 ILE A 543 67.576 -7.114 -12.689 1.00 0.00 H new ATOM 0 HG23 ILE A 543 66.822 -8.269 -13.813 1.00 0.00 H new ATOM 0 HD11 ILE A 543 64.720 -11.023 -11.397 1.00 0.00 H new ATOM 0 HD12 ILE A 543 65.617 -9.989 -10.261 1.00 0.00 H new ATOM 0 HD13 ILE A 543 64.849 -9.273 -11.697 1.00 0.00 H new ATOM 372 N MET A 544 70.379 -8.059 -11.206 1.00 0.00 N ATOM 373 CA MET A 544 71.243 -6.905 -10.930 1.00 0.00 C ATOM 374 C MET A 544 72.522 -6.949 -11.772 1.00 0.00 C ATOM 375 O MET A 544 73.117 -5.910 -12.063 1.00 0.00 O ATOM 376 CB MET A 544 71.605 -6.860 -9.444 1.00 0.00 C ATOM 377 CG MET A 544 70.345 -6.568 -8.624 1.00 0.00 C ATOM 378 SD MET A 544 70.803 -6.237 -6.906 1.00 0.00 S ATOM 379 CE MET A 544 71.185 -4.480 -7.111 1.00 0.00 C ATOM 0 H MET A 544 70.194 -8.652 -10.397 1.00 0.00 H new ATOM 0 HA MET A 544 70.690 -6.005 -11.198 1.00 0.00 H new ATOM 0 HB2 MET A 544 72.041 -7.810 -9.135 1.00 0.00 H new ATOM 0 HB3 MET A 544 72.356 -6.091 -9.264 1.00 0.00 H new ATOM 0 HG2 MET A 544 69.817 -5.711 -9.042 1.00 0.00 H new ATOM 0 HG3 MET A 544 69.663 -7.417 -8.672 1.00 0.00 H new ATOM 0 HE1 MET A 544 71.376 -4.033 -6.135 1.00 0.00 H new ATOM 0 HE2 MET A 544 72.069 -4.371 -7.740 1.00 0.00 H new ATOM 0 HE3 MET A 544 70.340 -3.977 -7.581 1.00 0.00 H new ATOM 389 N GLN A 545 72.939 -8.156 -12.158 1.00 0.00 N ATOM 390 CA GLN A 545 74.076 -8.315 -13.064 1.00 0.00 C ATOM 391 C GLN A 545 73.686 -8.091 -14.533 1.00 0.00 C ATOM 392 O GLN A 545 74.522 -8.242 -15.426 1.00 0.00 O ATOM 393 CB GLN A 545 74.667 -9.714 -12.904 1.00 0.00 C ATOM 394 CG GLN A 545 75.626 -9.737 -11.712 1.00 0.00 C ATOM 395 CD GLN A 545 76.061 -11.169 -11.423 1.00 0.00 C ATOM 396 OE1 GLN A 545 75.614 -11.769 -10.446 1.00 0.00 O ATOM 397 NE2 GLN A 545 76.909 -11.756 -12.221 1.00 0.00 N ATOM 0 H GLN A 545 72.509 -9.032 -11.860 1.00 0.00 H new ATOM 0 HA GLN A 545 74.814 -7.558 -12.798 1.00 0.00 H new ATOM 0 HB2 GLN A 545 73.869 -10.441 -12.755 1.00 0.00 H new ATOM 0 HB3 GLN A 545 75.195 -10.002 -13.813 1.00 0.00 H new ATOM 0 HG2 GLN A 545 76.498 -9.119 -11.924 1.00 0.00 H new ATOM 0 HG3 GLN A 545 75.139 -9.312 -10.834 1.00 0.00 H new ATOM 0 HE21 GLN A 545 77.278 -11.256 -13.030 1.00 0.00 H new ATOM 0 HE22 GLN A 545 77.203 -12.715 -12.036 1.00 0.00 H new ATOM 406 N ASP A 546 72.426 -7.736 -14.780 1.00 0.00 N ATOM 407 CA ASP A 546 71.966 -7.424 -16.133 1.00 0.00 C ATOM 408 C ASP A 546 71.935 -5.896 -16.344 1.00 0.00 C ATOM 409 O ASP A 546 71.268 -5.183 -15.594 1.00 0.00 O ATOM 410 CB ASP A 546 70.563 -8.025 -16.339 1.00 0.00 C ATOM 411 CG ASP A 546 70.054 -7.811 -17.771 1.00 0.00 C ATOM 412 OD1 ASP A 546 70.675 -7.067 -18.512 1.00 0.00 O ATOM 413 OD2 ASP A 546 69.041 -8.404 -18.105 1.00 0.00 O ATOM 0 H ASP A 546 71.706 -7.657 -14.062 1.00 0.00 H new ATOM 0 HA ASP A 546 72.653 -7.855 -16.862 1.00 0.00 H new ATOM 0 HB2 ASP A 546 70.589 -9.092 -16.119 1.00 0.00 H new ATOM 0 HB3 ASP A 546 69.866 -7.571 -15.634 1.00 0.00 H new ATOM 418 N PRO A 547 72.639 -5.384 -17.344 1.00 0.00 N ATOM 419 CA PRO A 547 72.732 -3.901 -17.582 1.00 0.00 C ATOM 420 C PRO A 547 71.397 -3.260 -17.989 1.00 0.00 C ATOM 421 O PRO A 547 71.259 -2.033 -17.959 1.00 0.00 O ATOM 422 CB PRO A 547 73.766 -3.761 -18.705 1.00 0.00 C ATOM 423 CG PRO A 547 73.778 -5.078 -19.398 1.00 0.00 C ATOM 424 CD PRO A 547 73.451 -6.122 -18.335 1.00 0.00 C ATOM 0 HA PRO A 547 73.012 -3.381 -16.666 1.00 0.00 H new ATOM 0 HB2 PRO A 547 73.495 -2.959 -19.391 1.00 0.00 H new ATOM 0 HB3 PRO A 547 74.750 -3.519 -18.305 1.00 0.00 H new ATOM 0 HG2 PRO A 547 73.044 -5.100 -20.204 1.00 0.00 H new ATOM 0 HG3 PRO A 547 74.752 -5.272 -19.848 1.00 0.00 H new ATOM 0 HD2 PRO A 547 72.899 -6.962 -18.757 1.00 0.00 H new ATOM 0 HD3 PRO A 547 74.356 -6.530 -17.885 1.00 0.00 H new ATOM 432 N VAL A 548 70.409 -4.085 -18.357 1.00 0.00 N ATOM 433 CA VAL A 548 69.118 -3.570 -18.830 1.00 0.00 C ATOM 434 C VAL A 548 68.519 -2.600 -17.806 1.00 0.00 C ATOM 435 O VAL A 548 68.058 -1.516 -18.162 1.00 0.00 O ATOM 436 CB VAL A 548 68.153 -4.744 -19.081 1.00 0.00 C ATOM 437 CG1 VAL A 548 66.727 -4.236 -19.344 1.00 0.00 C ATOM 438 CG2 VAL A 548 68.634 -5.541 -20.295 1.00 0.00 C ATOM 0 H VAL A 548 70.477 -5.103 -18.337 1.00 0.00 H new ATOM 0 HA VAL A 548 69.274 -3.029 -19.763 1.00 0.00 H new ATOM 0 HB VAL A 548 68.139 -5.377 -18.194 1.00 0.00 H new ATOM 0 HG11 VAL A 548 66.065 -5.084 -19.518 1.00 0.00 H new ATOM 0 HG12 VAL A 548 66.376 -3.673 -18.479 1.00 0.00 H new ATOM 0 HG13 VAL A 548 66.727 -3.590 -20.222 1.00 0.00 H new ATOM 0 HG21 VAL A 548 67.954 -6.373 -20.477 1.00 0.00 H new ATOM 0 HG22 VAL A 548 68.656 -4.892 -21.171 1.00 0.00 H new ATOM 0 HG23 VAL A 548 69.636 -5.926 -20.104 1.00 0.00 H new ATOM 448 N MET A 549 68.594 -2.969 -16.534 1.00 0.00 N ATOM 449 CA MET A 549 67.930 -2.198 -15.489 1.00 0.00 C ATOM 450 C MET A 549 68.565 -0.825 -15.324 1.00 0.00 C ATOM 451 O MET A 549 67.870 0.151 -15.046 1.00 0.00 O ATOM 452 CB MET A 549 67.978 -2.949 -14.165 1.00 0.00 C ATOM 453 CG MET A 549 66.982 -4.101 -14.213 1.00 0.00 C ATOM 454 SD MET A 549 66.820 -4.805 -12.562 1.00 0.00 S ATOM 455 CE MET A 549 65.252 -4.020 -12.129 1.00 0.00 C ATOM 0 H MET A 549 69.102 -3.789 -16.202 1.00 0.00 H new ATOM 0 HA MET A 549 66.891 -2.061 -15.789 1.00 0.00 H new ATOM 0 HB2 MET A 549 68.984 -3.328 -13.983 1.00 0.00 H new ATOM 0 HB3 MET A 549 67.737 -2.277 -13.342 1.00 0.00 H new ATOM 0 HG2 MET A 549 66.014 -3.747 -14.568 1.00 0.00 H new ATOM 0 HG3 MET A 549 67.321 -4.863 -14.916 1.00 0.00 H new ATOM 0 HE1 MET A 549 65.038 -4.193 -11.074 1.00 0.00 H new ATOM 0 HE2 MET A 549 65.318 -2.948 -12.315 1.00 0.00 H new ATOM 0 HE3 MET A 549 64.453 -4.445 -12.736 1.00 0.00 H new ATOM 465 N GLN A 550 69.883 -0.745 -15.511 1.00 0.00 N ATOM 466 CA GLN A 550 70.578 0.542 -15.441 1.00 0.00 C ATOM 467 C GLN A 550 70.006 1.514 -16.472 1.00 0.00 C ATOM 468 O GLN A 550 69.736 2.675 -16.164 1.00 0.00 O ATOM 469 CB GLN A 550 72.076 0.343 -15.701 1.00 0.00 C ATOM 470 CG GLN A 550 72.835 1.617 -15.320 1.00 0.00 C ATOM 471 CD GLN A 550 74.307 1.479 -15.695 1.00 0.00 C ATOM 472 OE1 GLN A 550 74.635 1.297 -16.867 1.00 0.00 O ATOM 473 NE2 GLN A 550 75.217 1.554 -14.764 1.00 0.00 N ATOM 0 H GLN A 550 70.485 -1.544 -15.710 1.00 0.00 H new ATOM 0 HA GLN A 550 70.435 0.958 -14.444 1.00 0.00 H new ATOM 0 HB2 GLN A 550 72.447 -0.501 -15.121 1.00 0.00 H new ATOM 0 HB3 GLN A 550 72.245 0.107 -16.752 1.00 0.00 H new ATOM 0 HG2 GLN A 550 72.400 2.476 -15.831 1.00 0.00 H new ATOM 0 HG3 GLN A 550 72.739 1.801 -14.250 1.00 0.00 H new ATOM 0 HE21 GLN A 550 74.942 1.705 -13.793 1.00 0.00 H new ATOM 0 HE22 GLN A 550 76.203 1.462 -15.006 1.00 0.00 H new ATOM 482 N SER A 551 69.787 1.012 -17.688 1.00 0.00 N ATOM 483 CA SER A 551 69.201 1.826 -18.756 1.00 0.00 C ATOM 484 C SER A 551 67.801 2.320 -18.382 1.00 0.00 C ATOM 485 O SER A 551 67.482 3.491 -18.587 1.00 0.00 O ATOM 486 CB SER A 551 69.130 1.020 -20.054 1.00 0.00 C ATOM 487 OG SER A 551 70.430 0.547 -20.383 1.00 0.00 O ATOM 0 H SER A 551 70.004 0.053 -17.958 1.00 0.00 H new ATOM 0 HA SER A 551 69.843 2.695 -18.899 1.00 0.00 H new ATOM 0 HB2 SER A 551 68.444 0.181 -19.938 1.00 0.00 H new ATOM 0 HB3 SER A 551 68.741 1.641 -20.861 1.00 0.00 H new ATOM 0 HG SER A 551 70.389 0.028 -21.213 1.00 0.00 H new ATOM 493 N ILE A 552 66.981 1.442 -17.799 1.00 0.00 N ATOM 494 CA ILE A 552 65.602 1.805 -17.447 1.00 0.00 C ATOM 495 C ILE A 552 65.592 2.938 -16.417 1.00 0.00 C ATOM 496 O ILE A 552 64.898 3.939 -16.591 1.00 0.00 O ATOM 497 CB ILE A 552 64.853 0.584 -16.878 1.00 0.00 C ATOM 498 CG1 ILE A 552 64.955 -0.590 -17.862 1.00 0.00 C ATOM 499 CG2 ILE A 552 63.370 0.934 -16.665 1.00 0.00 C ATOM 500 CD1 ILE A 552 64.434 -1.869 -17.200 1.00 0.00 C ATOM 0 H ILE A 552 67.242 0.485 -17.562 1.00 0.00 H new ATOM 0 HA ILE A 552 65.098 2.143 -18.353 1.00 0.00 H new ATOM 0 HB ILE A 552 65.303 0.305 -15.925 1.00 0.00 H new ATOM 0 HG12 ILE A 552 64.378 -0.374 -18.761 1.00 0.00 H new ATOM 0 HG13 ILE A 552 65.991 -0.727 -18.173 1.00 0.00 H new ATOM 0 HG21 ILE A 552 62.846 0.067 -16.263 1.00 0.00 H new ATOM 0 HG22 ILE A 552 63.289 1.765 -15.964 1.00 0.00 H new ATOM 0 HG23 ILE A 552 62.923 1.219 -17.617 1.00 0.00 H new ATOM 0 HD11 ILE A 552 64.509 -2.699 -17.903 1.00 0.00 H new ATOM 0 HD12 ILE A 552 65.030 -2.089 -16.314 1.00 0.00 H new ATOM 0 HD13 ILE A 552 63.392 -1.731 -16.911 1.00 0.00 H new ATOM 512 N LEU A 553 66.386 2.781 -15.358 1.00 0.00 N ATOM 513 CA LEU A 553 66.433 3.772 -14.279 1.00 0.00 C ATOM 514 C LEU A 553 66.852 5.145 -14.807 1.00 0.00 C ATOM 515 O LEU A 553 66.204 6.155 -14.520 1.00 0.00 O ATOM 516 CB LEU A 553 67.417 3.321 -13.195 1.00 0.00 C ATOM 517 CG LEU A 553 66.939 2.003 -12.581 1.00 0.00 C ATOM 518 CD1 LEU A 553 68.039 1.430 -11.685 1.00 0.00 C ATOM 519 CD2 LEU A 553 65.682 2.252 -11.743 1.00 0.00 C ATOM 0 H LEU A 553 67.004 1.981 -15.223 1.00 0.00 H new ATOM 0 HA LEU A 553 65.432 3.854 -13.856 1.00 0.00 H new ATOM 0 HB2 LEU A 553 68.412 3.195 -13.623 1.00 0.00 H new ATOM 0 HB3 LEU A 553 67.497 4.085 -12.422 1.00 0.00 H new ATOM 0 HG LEU A 553 66.710 1.296 -13.378 1.00 0.00 H new ATOM 0 HD11 LEU A 553 67.700 0.491 -11.247 1.00 0.00 H new ATOM 0 HD12 LEU A 553 68.935 1.250 -12.279 1.00 0.00 H new ATOM 0 HD13 LEU A 553 68.267 2.140 -10.890 1.00 0.00 H new ATOM 0 HD21 LEU A 553 65.343 1.312 -11.307 1.00 0.00 H new ATOM 0 HD22 LEU A 553 65.910 2.960 -10.947 1.00 0.00 H new ATOM 0 HD23 LEU A 553 64.896 2.661 -12.378 1.00 0.00 H new ATOM 531 N GLN A 554 67.907 5.172 -15.624 1.00 0.00 N ATOM 532 CA GLN A 554 68.383 6.427 -16.209 1.00 0.00 C ATOM 533 C GLN A 554 67.261 7.115 -16.990 1.00 0.00 C ATOM 534 O GLN A 554 66.919 8.266 -16.717 1.00 0.00 O ATOM 535 CB GLN A 554 69.566 6.155 -17.143 1.00 0.00 C ATOM 536 CG GLN A 554 70.258 7.474 -17.494 1.00 0.00 C ATOM 537 CD GLN A 554 71.362 7.227 -18.515 1.00 0.00 C ATOM 538 OE1 GLN A 554 72.443 6.754 -18.160 1.00 0.00 O ATOM 539 NE2 GLN A 554 71.155 7.518 -19.771 1.00 0.00 N ATOM 0 H GLN A 554 68.444 4.348 -15.894 1.00 0.00 H new ATOM 0 HA GLN A 554 68.704 7.084 -15.400 1.00 0.00 H new ATOM 0 HB2 GLN A 554 70.273 5.478 -16.663 1.00 0.00 H new ATOM 0 HB3 GLN A 554 69.219 5.662 -18.051 1.00 0.00 H new ATOM 0 HG2 GLN A 554 69.531 8.180 -17.896 1.00 0.00 H new ATOM 0 HG3 GLN A 554 70.677 7.925 -16.595 1.00 0.00 H new ATOM 0 HE21 GLN A 554 70.259 7.909 -20.063 1.00 0.00 H new ATOM 0 HE22 GLN A 554 71.889 7.354 -20.460 1.00 0.00 H new ATOM 548 N GLN A 555 66.600 6.352 -17.860 1.00 0.00 N ATOM 549 CA GLN A 555 65.535 6.898 -18.703 1.00 0.00 C ATOM 550 C GLN A 555 64.412 7.495 -17.855 1.00 0.00 C ATOM 551 O GLN A 555 63.848 8.534 -18.202 1.00 0.00 O ATOM 552 CB GLN A 555 64.966 5.793 -19.597 1.00 0.00 C ATOM 553 CG GLN A 555 66.029 5.347 -20.603 1.00 0.00 C ATOM 554 CD GLN A 555 66.263 6.440 -21.641 1.00 0.00 C ATOM 555 OE1 GLN A 555 65.307 7.011 -22.168 1.00 0.00 O ATOM 556 NE2 GLN A 555 67.483 6.768 -21.967 1.00 0.00 N ATOM 0 H GLN A 555 66.782 5.358 -18.000 1.00 0.00 H new ATOM 0 HA GLN A 555 65.961 7.690 -19.318 1.00 0.00 H new ATOM 0 HB2 GLN A 555 64.649 4.946 -18.988 1.00 0.00 H new ATOM 0 HB3 GLN A 555 64.083 6.156 -20.123 1.00 0.00 H new ATOM 0 HG2 GLN A 555 66.961 5.123 -20.083 1.00 0.00 H new ATOM 0 HG3 GLN A 555 65.711 4.429 -21.096 1.00 0.00 H new ATOM 0 HE21 GLN A 555 68.273 6.294 -21.529 1.00 0.00 H new ATOM 0 HE22 GLN A 555 67.647 7.499 -22.660 1.00 0.00 H new ATOM 565 N ALA A 556 64.092 6.830 -16.743 1.00 0.00 N ATOM 566 CA ALA A 556 63.025 7.292 -15.854 1.00 0.00 C ATOM 567 C ALA A 556 63.354 8.656 -15.252 1.00 0.00 C ATOM 568 O ALA A 556 62.457 9.474 -15.038 1.00 0.00 O ATOM 569 CB ALA A 556 62.806 6.279 -14.727 1.00 0.00 C ATOM 0 H ALA A 556 64.554 5.974 -16.438 1.00 0.00 H new ATOM 0 HA ALA A 556 62.116 7.387 -16.447 1.00 0.00 H new ATOM 0 HB1 ALA A 556 62.010 6.631 -14.071 1.00 0.00 H new ATOM 0 HB2 ALA A 556 62.525 5.316 -15.153 1.00 0.00 H new ATOM 0 HB3 ALA A 556 63.726 6.168 -14.154 1.00 0.00 H new ATOM 575 N GLN A 557 64.637 8.900 -14.982 1.00 0.00 N ATOM 576 CA GLN A 557 65.063 10.185 -14.430 1.00 0.00 C ATOM 577 C GLN A 557 64.839 11.294 -15.454 1.00 0.00 C ATOM 578 O GLN A 557 64.354 12.376 -15.120 1.00 0.00 O ATOM 579 CB GLN A 557 66.547 10.130 -14.056 1.00 0.00 C ATOM 580 CG GLN A 557 66.757 9.093 -12.951 1.00 0.00 C ATOM 581 CD GLN A 557 68.239 8.988 -12.604 1.00 0.00 C ATOM 582 OE1 GLN A 557 69.095 9.130 -13.479 1.00 0.00 O ATOM 583 NE2 GLN A 557 68.595 8.747 -11.373 1.00 0.00 N ATOM 0 H GLN A 557 65.392 8.232 -15.135 1.00 0.00 H new ATOM 0 HA GLN A 557 64.474 10.394 -13.537 1.00 0.00 H new ATOM 0 HB2 GLN A 557 67.144 9.871 -14.930 1.00 0.00 H new ATOM 0 HB3 GLN A 557 66.884 11.110 -13.719 1.00 0.00 H new ATOM 0 HG2 GLN A 557 66.187 9.374 -12.065 1.00 0.00 H new ATOM 0 HG3 GLN A 557 66.382 8.123 -13.277 1.00 0.00 H new ATOM 0 HE21 GLN A 557 67.885 8.630 -10.650 1.00 0.00 H new ATOM 0 HE22 GLN A 557 69.584 8.676 -11.133 1.00 0.00 H new ATOM 592 N GLN A 558 65.202 11.007 -16.702 1.00 0.00 N ATOM 593 CA GLN A 558 64.950 11.932 -17.803 1.00 0.00 C ATOM 594 C GLN A 558 63.454 12.025 -18.106 1.00 0.00 C ATOM 595 O GLN A 558 62.967 13.073 -18.534 1.00 0.00 O ATOM 596 CB GLN A 558 65.698 11.473 -19.057 1.00 0.00 C ATOM 597 CG GLN A 558 67.206 11.539 -18.805 1.00 0.00 C ATOM 598 CD GLN A 558 67.963 11.117 -20.059 1.00 0.00 C ATOM 599 OE1 GLN A 558 67.859 9.969 -20.492 1.00 0.00 O ATOM 600 NE2 GLN A 558 68.721 11.984 -20.674 1.00 0.00 N ATOM 0 H GLN A 558 65.671 10.143 -16.975 1.00 0.00 H new ATOM 0 HA GLN A 558 65.308 12.918 -17.506 1.00 0.00 H new ATOM 0 HB2 GLN A 558 65.406 10.455 -19.315 1.00 0.00 H new ATOM 0 HB3 GLN A 558 65.432 12.106 -19.904 1.00 0.00 H new ATOM 0 HG2 GLN A 558 67.492 12.552 -18.521 1.00 0.00 H new ATOM 0 HG3 GLN A 558 67.473 10.888 -17.973 1.00 0.00 H new ATOM 0 HE21 GLN A 558 68.805 12.934 -20.313 1.00 0.00 H new ATOM 0 HE22 GLN A 558 69.229 11.711 -21.515 1.00 0.00 H new ATOM 609 N ASN A 559 62.729 10.925 -17.882 1.00 0.00 N ATOM 610 CA ASN A 559 61.301 10.880 -18.184 1.00 0.00 C ATOM 611 C ASN A 559 60.630 9.733 -17.413 1.00 0.00 C ATOM 612 O ASN A 559 60.747 8.573 -17.811 1.00 0.00 O ATOM 613 CB ASN A 559 61.097 10.672 -19.686 1.00 0.00 C ATOM 614 CG ASN A 559 59.728 11.197 -20.104 1.00 0.00 C ATOM 615 OD1 ASN A 559 58.707 10.771 -19.562 1.00 0.00 O ATOM 616 ND2 ASN A 559 59.644 12.100 -21.042 1.00 0.00 N ATOM 0 H ASN A 559 63.107 10.060 -17.495 1.00 0.00 H new ATOM 0 HA ASN A 559 60.849 11.824 -17.881 1.00 0.00 H new ATOM 0 HB2 ASN A 559 61.879 11.188 -20.243 1.00 0.00 H new ATOM 0 HB3 ASN A 559 61.179 9.613 -19.929 1.00 0.00 H new ATOM 0 HD21 ASN A 559 58.732 12.455 -21.328 1.00 0.00 H new ATOM 0 HD22 ASN A 559 60.491 12.451 -21.489 1.00 0.00 H new ATOM 623 N PRO A 560 59.907 10.030 -16.350 1.00 0.00 N ATOM 624 CA PRO A 560 59.443 8.973 -15.390 1.00 0.00 C ATOM 625 C PRO A 560 58.590 7.890 -16.061 1.00 0.00 C ATOM 626 O PRO A 560 58.462 6.783 -15.535 1.00 0.00 O ATOM 627 CB PRO A 560 58.627 9.742 -14.342 1.00 0.00 C ATOM 628 CG PRO A 560 58.252 11.030 -14.991 1.00 0.00 C ATOM 629 CD PRO A 560 59.369 11.353 -15.977 1.00 0.00 C ATOM 0 HA PRO A 560 60.287 8.432 -14.963 1.00 0.00 H new ATOM 0 HB2 PRO A 560 57.741 9.180 -14.046 1.00 0.00 H new ATOM 0 HB3 PRO A 560 59.212 9.914 -13.439 1.00 0.00 H new ATOM 0 HG2 PRO A 560 57.294 10.943 -15.504 1.00 0.00 H new ATOM 0 HG3 PRO A 560 58.146 11.822 -14.250 1.00 0.00 H new ATOM 0 HD2 PRO A 560 58.991 11.890 -16.847 1.00 0.00 H new ATOM 0 HD3 PRO A 560 60.134 11.982 -15.522 1.00 0.00 H new ATOM 637 N ALA A 561 58.013 8.212 -17.218 1.00 0.00 N ATOM 638 CA ALA A 561 57.177 7.255 -17.946 1.00 0.00 C ATOM 639 C ALA A 561 58.002 6.076 -18.474 1.00 0.00 C ATOM 640 O ALA A 561 57.457 4.999 -18.734 1.00 0.00 O ATOM 641 CB ALA A 561 56.479 7.953 -19.116 1.00 0.00 C ATOM 0 H ALA A 561 58.107 9.122 -17.670 1.00 0.00 H new ATOM 0 HA ALA A 561 56.433 6.868 -17.250 1.00 0.00 H new ATOM 0 HB1 ALA A 561 55.860 7.234 -19.652 1.00 0.00 H new ATOM 0 HB2 ALA A 561 55.852 8.760 -18.737 1.00 0.00 H new ATOM 0 HB3 ALA A 561 57.228 8.363 -19.794 1.00 0.00 H new ATOM 647 N ALA A 562 59.318 6.270 -18.616 1.00 0.00 N ATOM 648 CA ALA A 562 60.162 5.285 -19.293 1.00 0.00 C ATOM 649 C ALA A 562 60.143 3.946 -18.558 1.00 0.00 C ATOM 650 O ALA A 562 59.950 2.892 -19.172 1.00 0.00 O ATOM 651 CB ALA A 562 61.601 5.799 -19.378 1.00 0.00 C ATOM 0 H ALA A 562 59.816 7.092 -18.274 1.00 0.00 H new ATOM 0 HA ALA A 562 59.765 5.135 -20.297 1.00 0.00 H new ATOM 0 HB1 ALA A 562 62.222 5.060 -19.883 1.00 0.00 H new ATOM 0 HB2 ALA A 562 61.621 6.734 -19.938 1.00 0.00 H new ATOM 0 HB3 ALA A 562 61.986 5.970 -18.373 1.00 0.00 H new ATOM 657 N LEU A 563 60.295 3.986 -17.236 1.00 0.00 N ATOM 658 CA LEU A 563 60.361 2.748 -16.462 1.00 0.00 C ATOM 659 C LEU A 563 59.014 2.022 -16.476 1.00 0.00 C ATOM 660 O LEU A 563 58.965 0.794 -16.396 1.00 0.00 O ATOM 661 CB LEU A 563 60.845 3.005 -15.017 1.00 0.00 C ATOM 662 CG LEU A 563 60.092 4.160 -14.327 1.00 0.00 C ATOM 663 CD1 LEU A 563 58.641 3.761 -14.016 1.00 0.00 C ATOM 664 CD2 LEU A 563 60.821 4.501 -13.022 1.00 0.00 C ATOM 0 H LEU A 563 60.373 4.842 -16.688 1.00 0.00 H new ATOM 0 HA LEU A 563 61.097 2.100 -16.938 1.00 0.00 H new ATOM 0 HB2 LEU A 563 60.720 2.095 -14.430 1.00 0.00 H new ATOM 0 HB3 LEU A 563 61.911 3.231 -15.031 1.00 0.00 H new ATOM 0 HG LEU A 563 60.070 5.023 -14.992 1.00 0.00 H new ATOM 0 HD11 LEU A 563 58.131 4.593 -13.530 1.00 0.00 H new ATOM 0 HD12 LEU A 563 58.125 3.512 -14.943 1.00 0.00 H new ATOM 0 HD13 LEU A 563 58.636 2.895 -13.354 1.00 0.00 H new ATOM 0 HD21 LEU A 563 60.303 5.317 -12.518 1.00 0.00 H new ATOM 0 HD22 LEU A 563 60.835 3.625 -12.373 1.00 0.00 H new ATOM 0 HD23 LEU A 563 61.844 4.804 -13.245 1.00 0.00 H new ATOM 676 N GLN A 564 57.920 2.782 -16.606 1.00 0.00 N ATOM 677 CA GLN A 564 56.582 2.189 -16.628 1.00 0.00 C ATOM 678 C GLN A 564 56.422 1.261 -17.830 1.00 0.00 C ATOM 679 O GLN A 564 56.195 0.061 -17.668 1.00 0.00 O ATOM 680 CB GLN A 564 55.524 3.294 -16.692 1.00 0.00 C ATOM 681 CG GLN A 564 54.144 2.704 -16.383 1.00 0.00 C ATOM 682 CD GLN A 564 53.074 3.796 -16.426 1.00 0.00 C ATOM 683 OE1 GLN A 564 53.382 4.981 -16.283 1.00 0.00 O ATOM 684 NE2 GLN A 564 51.827 3.464 -16.614 1.00 0.00 N ATOM 0 H GLN A 564 57.936 3.798 -16.697 1.00 0.00 H new ATOM 0 HA GLN A 564 56.449 1.607 -15.716 1.00 0.00 H new ATOM 0 HB2 GLN A 564 55.762 4.081 -15.977 1.00 0.00 H new ATOM 0 HB3 GLN A 564 55.522 3.752 -17.681 1.00 0.00 H new ATOM 0 HG2 GLN A 564 53.905 1.924 -17.106 1.00 0.00 H new ATOM 0 HG3 GLN A 564 54.154 2.235 -15.399 1.00 0.00 H new ATOM 0 HE21 GLN A 564 51.573 2.483 -16.732 1.00 0.00 H new ATOM 0 HE22 GLN A 564 51.106 4.185 -16.643 1.00 0.00 H new ATOM 693 N GLU A 565 56.711 1.784 -19.024 1.00 0.00 N ATOM 694 CA GLU A 565 56.570 0.994 -20.251 1.00 0.00 C ATOM 695 C GLU A 565 57.483 -0.235 -20.217 1.00 0.00 C ATOM 696 O GLU A 565 57.187 -1.256 -20.840 1.00 0.00 O ATOM 697 CB GLU A 565 56.889 1.852 -21.480 1.00 0.00 C ATOM 698 CG GLU A 565 58.297 2.442 -21.367 1.00 0.00 C ATOM 699 CD GLU A 565 58.766 2.939 -22.730 1.00 0.00 C ATOM 700 OE1 GLU A 565 58.128 3.832 -23.264 1.00 0.00 O ATOM 701 OE2 GLU A 565 59.755 2.421 -23.221 1.00 0.00 O ATOM 0 H GLU A 565 57.040 2.739 -19.168 1.00 0.00 H new ATOM 0 HA GLU A 565 55.536 0.654 -20.317 1.00 0.00 H new ATOM 0 HB2 GLU A 565 56.813 1.247 -22.384 1.00 0.00 H new ATOM 0 HB3 GLU A 565 56.157 2.655 -21.571 1.00 0.00 H new ATOM 0 HG2 GLU A 565 58.299 3.264 -20.651 1.00 0.00 H new ATOM 0 HG3 GLU A 565 58.987 1.688 -20.989 1.00 0.00 H new ATOM 708 N HIS A 566 58.591 -0.122 -19.485 1.00 0.00 N ATOM 709 CA HIS A 566 59.492 -1.256 -19.286 1.00 0.00 C ATOM 710 C HIS A 566 58.806 -2.361 -18.481 1.00 0.00 C ATOM 711 O HIS A 566 58.782 -3.517 -18.903 1.00 0.00 O ATOM 712 CB HIS A 566 60.759 -0.796 -18.559 1.00 0.00 C ATOM 713 CG HIS A 566 61.845 -0.350 -19.500 1.00 0.00 C ATOM 714 ND1 HIS A 566 62.400 0.883 -19.743 1.00 0.00 N flip ATOM 715 CD2 HIS A 566 62.486 -1.229 -20.359 1.00 0.00 C flip ATOM 716 CE1 HIS A 566 63.369 0.773 -20.736 1.00 0.00 C flip ATOM 717 NE2 HIS A 566 63.380 -0.519 -21.073 1.00 0.00 N flip ATOM 0 H HIS A 566 58.885 0.738 -19.022 1.00 0.00 H new ATOM 0 HA HIS A 566 59.760 -1.656 -20.264 1.00 0.00 H new ATOM 0 HB2 HIS A 566 60.508 0.024 -17.887 1.00 0.00 H new ATOM 0 HB3 HIS A 566 61.133 -1.612 -17.941 1.00 0.00 H new ATOM 0 HD2 HIS A 566 62.302 -2.290 -20.441 1.00 0.00 H new ATOM 0 HE1 HIS A 566 63.981 1.563 -21.146 1.00 0.00 H new ATOM 0 HE2 HIS A 566 63.991 -0.919 -21.785 1.00 0.00 H new ATOM 725 N MET A 567 58.193 -1.988 -17.357 1.00 0.00 N ATOM 726 CA MET A 567 57.605 -2.969 -16.445 1.00 0.00 C ATOM 727 C MET A 567 56.472 -3.746 -17.118 1.00 0.00 C ATOM 728 O MET A 567 56.247 -4.915 -16.806 1.00 0.00 O ATOM 729 CB MET A 567 57.067 -2.260 -15.198 1.00 0.00 C ATOM 730 CG MET A 567 56.776 -3.289 -14.104 1.00 0.00 C ATOM 731 SD MET A 567 56.006 -2.467 -12.689 1.00 0.00 S ATOM 732 CE MET A 567 57.395 -1.387 -12.267 1.00 0.00 C ATOM 0 H MET A 567 58.091 -1.018 -17.057 1.00 0.00 H new ATOM 0 HA MET A 567 58.385 -3.676 -16.163 1.00 0.00 H new ATOM 0 HB2 MET A 567 57.794 -1.531 -14.841 1.00 0.00 H new ATOM 0 HB3 MET A 567 56.159 -1.710 -15.444 1.00 0.00 H new ATOM 0 HG2 MET A 567 56.117 -4.067 -14.489 1.00 0.00 H new ATOM 0 HG3 MET A 567 57.700 -3.778 -13.795 1.00 0.00 H new ATOM 0 HE1 MET A 567 57.017 -0.414 -11.952 1.00 0.00 H new ATOM 0 HE2 MET A 567 57.969 -1.833 -11.455 1.00 0.00 H new ATOM 0 HE3 MET A 567 58.037 -1.262 -13.139 1.00 0.00 H new ATOM 742 N LYS A 568 55.778 -3.102 -18.060 1.00 0.00 N ATOM 743 CA LYS A 568 54.666 -3.753 -18.756 1.00 0.00 C ATOM 744 C LYS A 568 55.178 -4.892 -19.640 1.00 0.00 C ATOM 745 O LYS A 568 54.509 -5.914 -19.799 1.00 0.00 O ATOM 746 CB LYS A 568 53.912 -2.733 -19.611 1.00 0.00 C ATOM 747 CG LYS A 568 53.268 -1.682 -18.706 1.00 0.00 C ATOM 748 CD LYS A 568 52.515 -0.662 -19.561 1.00 0.00 C ATOM 749 CE LYS A 568 51.239 -1.300 -20.112 1.00 0.00 C ATOM 750 NZ LYS A 568 50.454 -0.276 -20.859 1.00 0.00 N ATOM 0 H LYS A 568 55.963 -2.143 -18.355 1.00 0.00 H new ATOM 0 HA LYS A 568 53.988 -4.167 -18.010 1.00 0.00 H new ATOM 0 HB2 LYS A 568 54.596 -2.254 -20.312 1.00 0.00 H new ATOM 0 HB3 LYS A 568 53.147 -3.235 -20.204 1.00 0.00 H new ATOM 0 HG2 LYS A 568 52.584 -2.161 -18.006 1.00 0.00 H new ATOM 0 HG3 LYS A 568 54.033 -1.181 -18.112 1.00 0.00 H new ATOM 0 HD2 LYS A 568 52.267 0.216 -18.964 1.00 0.00 H new ATOM 0 HD3 LYS A 568 53.147 -0.322 -20.381 1.00 0.00 H new ATOM 0 HE2 LYS A 568 51.490 -2.132 -20.770 1.00 0.00 H new ATOM 0 HE3 LYS A 568 50.642 -1.708 -19.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 49.586 -0.709 -21.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 50.203 0.504 -20.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 51.025 0.093 -21.646 1.00 0.00 H new ATOM 764 N ASN A 569 56.367 -4.701 -20.212 1.00 0.00 N ATOM 765 CA ASN A 569 57.017 -5.748 -21.007 1.00 0.00 C ATOM 766 C ASN A 569 57.371 -6.951 -20.118 1.00 0.00 C ATOM 767 O ASN A 569 57.874 -6.771 -19.010 1.00 0.00 O ATOM 768 CB ASN A 569 58.293 -5.181 -21.648 1.00 0.00 C ATOM 769 CG ASN A 569 58.581 -5.877 -22.974 1.00 0.00 C ATOM 770 OD1 ASN A 569 57.660 -6.163 -23.739 1.00 0.00 O ATOM 771 ND2 ASN A 569 59.812 -6.166 -23.293 1.00 0.00 N ATOM 0 H ASN A 569 56.900 -3.834 -20.141 1.00 0.00 H new ATOM 0 HA ASN A 569 56.332 -6.081 -21.787 1.00 0.00 H new ATOM 0 HB2 ASN A 569 58.180 -4.109 -21.811 1.00 0.00 H new ATOM 0 HB3 ASN A 569 59.137 -5.313 -20.971 1.00 0.00 H new ATOM 0 HD21 ASN A 569 60.014 -6.630 -24.179 1.00 0.00 H new ATOM 0 HD22 ASN A 569 60.573 -5.928 -22.657 1.00 0.00 H new ATOM 778 N PRO A 570 57.127 -8.164 -20.578 1.00 0.00 N ATOM 779 CA PRO A 570 57.140 -9.364 -19.680 1.00 0.00 C ATOM 780 C PRO A 570 58.534 -9.691 -19.139 1.00 0.00 C ATOM 781 O PRO A 570 58.684 -10.024 -17.961 1.00 0.00 O ATOM 782 CB PRO A 570 56.612 -10.497 -20.563 1.00 0.00 C ATOM 783 CG PRO A 570 56.906 -10.080 -21.963 1.00 0.00 C ATOM 784 CD PRO A 570 56.862 -8.553 -21.980 1.00 0.00 C ATOM 0 HA PRO A 570 56.536 -9.198 -18.788 1.00 0.00 H new ATOM 0 HB2 PRO A 570 57.101 -11.441 -20.324 1.00 0.00 H new ATOM 0 HB3 PRO A 570 55.542 -10.645 -20.414 1.00 0.00 H new ATOM 0 HG2 PRO A 570 57.884 -10.443 -22.279 1.00 0.00 H new ATOM 0 HG3 PRO A 570 56.173 -10.497 -22.654 1.00 0.00 H new ATOM 0 HD2 PRO A 570 57.612 -8.141 -22.656 1.00 0.00 H new ATOM 0 HD3 PRO A 570 55.893 -8.187 -22.318 1.00 0.00 H new ATOM 792 N GLU A 571 59.556 -9.558 -19.987 1.00 0.00 N ATOM 793 CA GLU A 571 60.918 -9.910 -19.584 1.00 0.00 C ATOM 794 C GLU A 571 61.421 -8.918 -18.538 1.00 0.00 C ATOM 795 O GLU A 571 61.984 -9.302 -17.508 1.00 0.00 O ATOM 796 CB GLU A 571 61.847 -9.900 -20.801 1.00 0.00 C ATOM 797 CG GLU A 571 63.192 -10.532 -20.429 1.00 0.00 C ATOM 798 CD GLU A 571 64.160 -10.437 -21.605 1.00 0.00 C ATOM 799 OE1 GLU A 571 63.727 -10.656 -22.725 1.00 0.00 O ATOM 800 OE2 GLU A 571 65.321 -10.146 -21.368 1.00 0.00 O ATOM 0 H GLU A 571 59.469 -9.214 -20.943 1.00 0.00 H new ATOM 0 HA GLU A 571 60.912 -10.912 -19.154 1.00 0.00 H new ATOM 0 HB2 GLU A 571 61.391 -10.451 -21.624 1.00 0.00 H new ATOM 0 HB3 GLU A 571 61.998 -8.877 -21.147 1.00 0.00 H new ATOM 0 HG2 GLU A 571 63.613 -10.026 -19.560 1.00 0.00 H new ATOM 0 HG3 GLU A 571 63.047 -11.576 -20.151 1.00 0.00 H new ATOM 807 N VAL A 572 61.128 -7.644 -18.767 1.00 0.00 N ATOM 808 CA VAL A 572 61.478 -6.613 -17.804 1.00 0.00 C ATOM 809 C VAL A 572 60.548 -6.701 -16.593 1.00 0.00 C ATOM 810 O VAL A 572 60.966 -6.443 -15.472 1.00 0.00 O ATOM 811 CB VAL A 572 61.397 -5.225 -18.453 1.00 0.00 C ATOM 812 CG1 VAL A 572 61.841 -4.152 -17.452 1.00 0.00 C ATOM 813 CG2 VAL A 572 62.318 -5.180 -19.675 1.00 0.00 C ATOM 0 H VAL A 572 60.653 -7.304 -19.603 1.00 0.00 H new ATOM 0 HA VAL A 572 62.504 -6.770 -17.470 1.00 0.00 H new ATOM 0 HB VAL A 572 60.368 -5.034 -18.756 1.00 0.00 H new ATOM 0 HG11 VAL A 572 61.781 -3.170 -17.921 1.00 0.00 H new ATOM 0 HG12 VAL A 572 61.190 -4.178 -16.578 1.00 0.00 H new ATOM 0 HG13 VAL A 572 62.869 -4.344 -17.144 1.00 0.00 H new ATOM 0 HG21 VAL A 572 62.261 -4.194 -20.137 1.00 0.00 H new ATOM 0 HG22 VAL A 572 63.344 -5.377 -19.365 1.00 0.00 H new ATOM 0 HG23 VAL A 572 62.005 -5.937 -20.395 1.00 0.00 H new ATOM 823 N PHE A 573 59.294 -7.110 -16.820 1.00 0.00 N ATOM 824 CA PHE A 573 58.305 -7.195 -15.737 1.00 0.00 C ATOM 825 C PHE A 573 58.836 -8.038 -14.573 1.00 0.00 C ATOM 826 O PHE A 573 58.860 -7.578 -13.432 1.00 0.00 O ATOM 827 CB PHE A 573 57.004 -7.813 -16.277 1.00 0.00 C ATOM 828 CG PHE A 573 55.930 -8.038 -15.231 1.00 0.00 C ATOM 829 CD1 PHE A 573 55.261 -6.936 -14.645 1.00 0.00 C ATOM 830 CD2 PHE A 573 55.590 -9.358 -14.845 1.00 0.00 C ATOM 831 CE1 PHE A 573 54.253 -7.155 -13.673 1.00 0.00 C ATOM 832 CE2 PHE A 573 54.584 -9.576 -13.873 1.00 0.00 C ATOM 833 CZ PHE A 573 53.916 -8.474 -13.287 1.00 0.00 C ATOM 0 H PHE A 573 58.941 -7.386 -17.736 1.00 0.00 H new ATOM 0 HA PHE A 573 58.109 -6.189 -15.367 1.00 0.00 H new ATOM 0 HB2 PHE A 573 56.604 -7.163 -17.055 1.00 0.00 H new ATOM 0 HB3 PHE A 573 57.239 -8.767 -16.749 1.00 0.00 H new ATOM 0 HD1 PHE A 573 55.519 -5.929 -14.939 1.00 0.00 H new ATOM 0 HD2 PHE A 573 56.099 -10.199 -15.293 1.00 0.00 H new ATOM 0 HE1 PHE A 573 53.742 -6.315 -13.227 1.00 0.00 H new ATOM 0 HE2 PHE A 573 54.326 -10.583 -13.579 1.00 0.00 H new ATOM 0 HZ PHE A 573 53.149 -8.640 -12.545 1.00 0.00 H new ATOM 843 N LYS A 574 59.307 -9.250 -14.874 1.00 0.00 N ATOM 844 CA LYS A 574 59.849 -10.127 -13.834 1.00 0.00 C ATOM 845 C LYS A 574 61.075 -9.497 -13.165 1.00 0.00 C ATOM 846 O LYS A 574 61.200 -9.517 -11.940 1.00 0.00 O ATOM 847 CB LYS A 574 60.220 -11.500 -14.419 1.00 0.00 C ATOM 848 CG LYS A 574 61.186 -11.341 -15.599 1.00 0.00 C ATOM 849 CD LYS A 574 61.541 -12.722 -16.154 1.00 0.00 C ATOM 850 CE LYS A 574 62.566 -13.394 -15.238 1.00 0.00 C ATOM 851 NZ LYS A 574 63.907 -12.780 -15.456 1.00 0.00 N ATOM 0 H LYS A 574 59.325 -9.643 -15.815 1.00 0.00 H new ATOM 0 HA LYS A 574 59.074 -10.262 -13.079 1.00 0.00 H new ATOM 0 HB2 LYS A 574 60.679 -12.118 -13.647 1.00 0.00 H new ATOM 0 HB3 LYS A 574 59.318 -12.017 -14.747 1.00 0.00 H new ATOM 0 HG2 LYS A 574 60.729 -10.730 -16.378 1.00 0.00 H new ATOM 0 HG3 LYS A 574 62.089 -10.823 -15.277 1.00 0.00 H new ATOM 0 HD2 LYS A 574 60.644 -13.338 -16.227 1.00 0.00 H new ATOM 0 HD3 LYS A 574 61.945 -12.627 -17.162 1.00 0.00 H new ATOM 0 HE2 LYS A 574 62.268 -13.280 -14.196 1.00 0.00 H new ATOM 0 HE3 LYS A 574 62.607 -14.464 -15.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 574 64.644 -13.420 -15.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 574 64.054 -12.618 -16.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 574 63.960 -11.873 -14.950 1.00 0.00 H new ATOM 865 N LYS A 575 61.942 -8.879 -13.969 1.00 0.00 N ATOM 866 CA LYS A 575 63.185 -8.301 -13.449 1.00 0.00 C ATOM 867 C LYS A 575 62.905 -7.128 -12.504 1.00 0.00 C ATOM 868 O LYS A 575 63.342 -7.124 -11.348 1.00 0.00 O ATOM 869 CB LYS A 575 64.057 -7.824 -14.609 1.00 0.00 C ATOM 870 CG LYS A 575 64.658 -9.034 -15.327 1.00 0.00 C ATOM 871 CD LYS A 575 65.658 -8.558 -16.384 1.00 0.00 C ATOM 872 CE LYS A 575 66.432 -9.756 -16.943 1.00 0.00 C ATOM 873 NZ LYS A 575 67.702 -9.925 -16.182 1.00 0.00 N ATOM 0 H LYS A 575 61.810 -8.766 -14.974 1.00 0.00 H new ATOM 0 HA LYS A 575 63.706 -9.075 -12.886 1.00 0.00 H new ATOM 0 HB2 LYS A 575 63.463 -7.233 -15.306 1.00 0.00 H new ATOM 0 HB3 LYS A 575 64.851 -7.176 -14.238 1.00 0.00 H new ATOM 0 HG2 LYS A 575 65.155 -9.686 -14.609 1.00 0.00 H new ATOM 0 HG3 LYS A 575 63.868 -9.620 -15.797 1.00 0.00 H new ATOM 0 HD2 LYS A 575 65.133 -8.045 -17.190 1.00 0.00 H new ATOM 0 HD3 LYS A 575 66.350 -7.839 -15.946 1.00 0.00 H new ATOM 0 HE2 LYS A 575 65.828 -10.660 -16.868 1.00 0.00 H new ATOM 0 HE3 LYS A 575 66.647 -9.603 -18.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 575 68.506 -9.657 -16.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 575 67.684 -9.318 -15.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 575 67.803 -10.919 -15.892 1.00 0.00 H new ATOM 887 N ILE A 576 62.139 -6.155 -12.992 1.00 0.00 N ATOM 888 CA ILE A 576 61.831 -4.951 -12.214 1.00 0.00 C ATOM 889 C ILE A 576 61.146 -5.335 -10.891 1.00 0.00 C ATOM 890 O ILE A 576 61.560 -4.897 -9.816 1.00 0.00 O ATOM 891 CB ILE A 576 60.926 -4.007 -13.036 1.00 0.00 C ATOM 892 CG1 ILE A 576 61.610 -3.640 -14.373 1.00 0.00 C ATOM 893 CG2 ILE A 576 60.621 -2.729 -12.238 1.00 0.00 C ATOM 894 CD1 ILE A 576 62.831 -2.734 -14.158 1.00 0.00 C ATOM 0 H ILE A 576 61.719 -6.174 -13.921 1.00 0.00 H new ATOM 0 HA ILE A 576 62.761 -4.431 -11.984 1.00 0.00 H new ATOM 0 HB ILE A 576 59.989 -4.523 -13.246 1.00 0.00 H new ATOM 0 HG12 ILE A 576 61.919 -4.551 -14.886 1.00 0.00 H new ATOM 0 HG13 ILE A 576 60.893 -3.137 -15.022 1.00 0.00 H new ATOM 0 HG21 ILE A 576 59.982 -2.074 -12.830 1.00 0.00 H new ATOM 0 HG22 ILE A 576 60.111 -2.992 -11.311 1.00 0.00 H new ATOM 0 HG23 ILE A 576 61.553 -2.214 -12.006 1.00 0.00 H new ATOM 0 HD11 ILE A 576 63.284 -2.499 -15.121 1.00 0.00 H new ATOM 0 HD12 ILE A 576 62.518 -1.811 -13.669 1.00 0.00 H new ATOM 0 HD13 ILE A 576 63.559 -3.248 -13.531 1.00 0.00 H new ATOM 906 N GLN A 577 60.146 -6.214 -10.974 1.00 0.00 N ATOM 907 CA GLN A 577 59.387 -6.624 -9.789 1.00 0.00 C ATOM 908 C GLN A 577 60.289 -7.247 -8.719 1.00 0.00 C ATOM 909 O GLN A 577 60.142 -6.952 -7.534 1.00 0.00 O ATOM 910 CB GLN A 577 58.306 -7.633 -10.182 1.00 0.00 C ATOM 911 CG GLN A 577 57.168 -6.907 -10.904 1.00 0.00 C ATOM 912 CD GLN A 577 55.981 -7.849 -11.081 1.00 0.00 C ATOM 913 OE1 GLN A 577 56.134 -8.946 -11.618 1.00 0.00 O ATOM 914 NE2 GLN A 577 54.803 -7.483 -10.657 1.00 0.00 N ATOM 0 H GLN A 577 59.843 -6.654 -11.843 1.00 0.00 H new ATOM 0 HA GLN A 577 58.931 -5.727 -9.371 1.00 0.00 H new ATOM 0 HB2 GLN A 577 58.729 -8.402 -10.828 1.00 0.00 H new ATOM 0 HB3 GLN A 577 57.924 -8.137 -9.294 1.00 0.00 H new ATOM 0 HG2 GLN A 577 56.865 -6.029 -10.333 1.00 0.00 H new ATOM 0 HG3 GLN A 577 57.510 -6.552 -11.876 1.00 0.00 H new ATOM 0 HE21 GLN A 577 54.681 -6.573 -10.213 1.00 0.00 H new ATOM 0 HE22 GLN A 577 54.004 -8.107 -10.770 1.00 0.00 H new ATOM 923 N THR A 578 61.229 -8.100 -9.141 1.00 0.00 N ATOM 924 CA THR A 578 62.072 -8.834 -8.194 1.00 0.00 C ATOM 925 C THR A 578 62.804 -7.880 -7.245 1.00 0.00 C ATOM 926 O THR A 578 62.711 -8.024 -6.024 1.00 0.00 O ATOM 927 CB THR A 578 63.093 -9.701 -8.948 1.00 0.00 C ATOM 928 OG1 THR A 578 62.413 -10.479 -9.924 1.00 0.00 O ATOM 929 CG2 THR A 578 63.824 -10.635 -7.972 1.00 0.00 C ATOM 0 H THR A 578 61.423 -8.297 -10.123 1.00 0.00 H new ATOM 0 HA THR A 578 61.422 -9.476 -7.600 1.00 0.00 H new ATOM 0 HB THR A 578 63.824 -9.052 -9.430 1.00 0.00 H new ATOM 0 HG1 THR A 578 62.318 -9.958 -10.749 1.00 0.00 H new ATOM 0 HG21 THR A 578 64.544 -11.243 -8.520 1.00 0.00 H new ATOM 0 HG22 THR A 578 64.347 -10.041 -7.223 1.00 0.00 H new ATOM 0 HG23 THR A 578 63.101 -11.285 -7.480 1.00 0.00 H new ATOM 937 N LEU A 579 63.477 -6.874 -7.800 1.00 0.00 N ATOM 938 CA LEU A 579 64.282 -5.982 -6.963 1.00 0.00 C ATOM 939 C LEU A 579 63.404 -5.108 -6.067 1.00 0.00 C ATOM 940 O LEU A 579 63.803 -4.764 -4.954 1.00 0.00 O ATOM 941 CB LEU A 579 65.196 -5.092 -7.815 1.00 0.00 C ATOM 942 CG LEU A 579 66.073 -5.940 -8.754 1.00 0.00 C ATOM 943 CD1 LEU A 579 67.128 -5.039 -9.389 1.00 0.00 C ATOM 944 CD2 LEU A 579 66.787 -7.059 -7.982 1.00 0.00 C ATOM 0 H LEU A 579 63.484 -6.658 -8.797 1.00 0.00 H new ATOM 0 HA LEU A 579 64.901 -6.618 -6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 579 64.592 -4.400 -8.402 1.00 0.00 H new ATOM 0 HB3 LEU A 579 65.830 -4.489 -7.165 1.00 0.00 H new ATOM 0 HG LEU A 579 65.433 -6.390 -9.513 1.00 0.00 H new ATOM 0 HD11 LEU A 579 67.756 -5.629 -10.057 1.00 0.00 H new ATOM 0 HD12 LEU A 579 66.637 -4.248 -9.956 1.00 0.00 H new ATOM 0 HD13 LEU A 579 67.746 -4.595 -8.608 1.00 0.00 H new ATOM 0 HD21 LEU A 579 67.399 -7.642 -8.670 1.00 0.00 H new ATOM 0 HD22 LEU A 579 67.423 -6.622 -7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 579 66.047 -7.709 -7.515 1.00 0.00 H new ATOM 956 N ILE A 580 62.211 -4.748 -6.551 1.00 0.00 N ATOM 957 CA ILE A 580 61.291 -3.923 -5.761 1.00 0.00 C ATOM 958 C ILE A 580 60.825 -4.683 -4.514 1.00 0.00 C ATOM 959 O ILE A 580 60.826 -4.137 -3.409 1.00 0.00 O ATOM 960 CB ILE A 580 60.085 -3.512 -6.621 1.00 0.00 C ATOM 961 CG1 ILE A 580 60.581 -2.707 -7.827 1.00 0.00 C ATOM 962 CG2 ILE A 580 59.124 -2.641 -5.800 1.00 0.00 C ATOM 963 CD1 ILE A 580 59.435 -2.504 -8.822 1.00 0.00 C ATOM 0 H ILE A 580 61.863 -5.010 -7.473 1.00 0.00 H new ATOM 0 HA ILE A 580 61.815 -3.024 -5.437 1.00 0.00 H new ATOM 0 HB ILE A 580 59.562 -4.408 -6.955 1.00 0.00 H new ATOM 0 HG12 ILE A 580 60.965 -1.741 -7.498 1.00 0.00 H new ATOM 0 HG13 ILE A 580 61.406 -3.230 -8.310 1.00 0.00 H new ATOM 0 HG21 ILE A 580 58.273 -2.355 -6.419 1.00 0.00 H new ATOM 0 HG22 ILE A 580 58.771 -3.204 -4.936 1.00 0.00 H new ATOM 0 HG23 ILE A 580 59.644 -1.745 -5.462 1.00 0.00 H new ATOM 0 HD11 ILE A 580 59.793 -1.931 -9.677 1.00 0.00 H new ATOM 0 HD12 ILE A 580 59.072 -3.474 -9.161 1.00 0.00 H new ATOM 0 HD13 ILE A 580 58.623 -1.962 -8.337 1.00 0.00 H new ATOM 975 N ALA A 581 60.424 -5.942 -4.701 1.00 0.00 N ATOM 976 CA ALA A 581 60.025 -6.796 -3.579 1.00 0.00 C ATOM 977 C ALA A 581 61.177 -6.968 -2.585 1.00 0.00 C ATOM 978 O ALA A 581 60.955 -7.106 -1.380 1.00 0.00 O ATOM 979 CB ALA A 581 59.592 -8.170 -4.097 1.00 0.00 C ATOM 0 H ALA A 581 60.367 -6.392 -5.615 1.00 0.00 H new ATOM 0 HA ALA A 581 59.191 -6.316 -3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 581 59.297 -8.799 -3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 581 58.748 -8.053 -4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 581 60.422 -8.638 -4.626 1.00 0.00 H new ATOM 985 N ALA A 582 62.404 -6.961 -3.105 1.00 0.00 N ATOM 986 CA ALA A 582 63.594 -7.047 -2.260 1.00 0.00 C ATOM 987 C ALA A 582 63.864 -5.728 -1.517 1.00 0.00 C ATOM 988 O ALA A 582 64.740 -5.677 -0.652 1.00 0.00 O ATOM 989 CB ALA A 582 64.811 -7.408 -3.113 1.00 0.00 C ATOM 0 H ALA A 582 62.599 -6.897 -4.104 1.00 0.00 H new ATOM 0 HA ALA A 582 63.415 -7.823 -1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 582 65.695 -7.471 -2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 582 64.643 -8.370 -3.597 1.00 0.00 H new ATOM 0 HB3 ALA A 582 64.964 -6.641 -3.872 1.00 0.00 H new ATOM 995 N GLY A 583 63.118 -4.668 -1.851 1.00 0.00 N ATOM 996 CA GLY A 583 63.301 -3.374 -1.196 1.00 0.00 C ATOM 997 C GLY A 583 64.603 -2.699 -1.628 1.00 0.00 C ATOM 998 O GLY A 583 65.164 -1.893 -0.884 1.00 0.00 O ATOM 0 H GLY A 583 62.389 -4.683 -2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 583 62.459 -2.724 -1.433 1.00 0.00 H new ATOM 0 HA3 GLY A 583 63.304 -3.511 -0.115 1.00 0.00 H new ATOM 1002 N ILE A 584 65.078 -3.028 -2.830 1.00 0.00 N ATOM 1003 CA ILE A 584 66.333 -2.465 -3.330 1.00 0.00 C ATOM 1004 C ILE A 584 66.074 -1.182 -4.119 1.00 0.00 C ATOM 1005 O ILE A 584 66.880 -0.250 -4.081 1.00 0.00 O ATOM 1006 CB ILE A 584 67.059 -3.475 -4.231 1.00 0.00 C ATOM 1007 CG1 ILE A 584 67.095 -4.855 -3.557 1.00 0.00 C ATOM 1008 CG2 ILE A 584 68.494 -2.996 -4.470 1.00 0.00 C ATOM 1009 CD1 ILE A 584 67.616 -5.911 -4.540 1.00 0.00 C ATOM 0 H ILE A 584 64.618 -3.675 -3.470 1.00 0.00 H new ATOM 0 HA ILE A 584 66.960 -2.236 -2.469 1.00 0.00 H new ATOM 0 HB ILE A 584 66.527 -3.554 -5.179 1.00 0.00 H new ATOM 0 HG12 ILE A 584 67.735 -4.821 -2.676 1.00 0.00 H new ATOM 0 HG13 ILE A 584 66.096 -5.127 -3.215 1.00 0.00 H new ATOM 0 HG21 ILE A 584 69.014 -3.710 -5.109 1.00 0.00 H new ATOM 0 HG22 ILE A 584 68.476 -2.020 -4.955 1.00 0.00 H new ATOM 0 HG23 ILE A 584 69.015 -2.917 -3.516 1.00 0.00 H new ATOM 0 HD11 ILE A 584 67.637 -6.885 -4.051 1.00 0.00 H new ATOM 0 HD12 ILE A 584 66.959 -5.955 -5.408 1.00 0.00 H new ATOM 0 HD13 ILE A 584 68.623 -5.644 -4.860 1.00 0.00 H new ATOM 1021 N ILE A 585 64.947 -1.141 -4.830 1.00 0.00 N ATOM 1022 CA ILE A 585 64.648 -0.021 -5.722 1.00 0.00 C ATOM 1023 C ILE A 585 63.238 0.505 -5.451 1.00 0.00 C ATOM 1024 O ILE A 585 62.320 -0.271 -5.186 1.00 0.00 O ATOM 1025 CB ILE A 585 64.763 -0.479 -7.185 1.00 0.00 C ATOM 1026 CG1 ILE A 585 66.152 -1.084 -7.426 1.00 0.00 C ATOM 1027 CG2 ILE A 585 64.565 0.719 -8.123 1.00 0.00 C ATOM 1028 CD1 ILE A 585 66.188 -1.764 -8.798 1.00 0.00 C ATOM 0 H ILE A 585 64.230 -1.866 -4.806 1.00 0.00 H new ATOM 0 HA ILE A 585 65.364 0.780 -5.539 1.00 0.00 H new ATOM 0 HB ILE A 585 63.996 -1.227 -7.385 1.00 0.00 H new ATOM 0 HG12 ILE A 585 66.912 -0.305 -7.376 1.00 0.00 H new ATOM 0 HG13 ILE A 585 66.385 -1.807 -6.645 1.00 0.00 H new ATOM 0 HG21 ILE A 585 64.648 0.388 -9.158 1.00 0.00 H new ATOM 0 HG22 ILE A 585 63.578 1.151 -7.958 1.00 0.00 H new ATOM 0 HG23 ILE A 585 65.328 1.470 -7.920 1.00 0.00 H new ATOM 0 HD11 ILE A 585 67.176 -2.193 -8.966 1.00 0.00 H new ATOM 0 HD12 ILE A 585 65.439 -2.555 -8.832 1.00 0.00 H new ATOM 0 HD13 ILE A 585 65.975 -1.029 -9.574 1.00 0.00 H new ATOM 1040 N ARG A 586 63.076 1.830 -5.544 1.00 0.00 N ATOM 1041 CA ARG A 586 61.777 2.475 -5.330 1.00 0.00 C ATOM 1042 C ARG A 586 61.256 2.231 -3.908 1.00 0.00 C ATOM 1043 O ARG A 586 61.389 3.097 -3.042 1.00 0.00 O ATOM 1044 CB ARG A 586 60.766 1.970 -6.369 1.00 0.00 C ATOM 1045 CG ARG A 586 60.868 2.812 -7.643 1.00 0.00 C ATOM 1046 CD ARG A 586 59.909 2.259 -8.699 1.00 0.00 C ATOM 1047 NE ARG A 586 58.521 2.494 -8.296 1.00 0.00 N ATOM 1048 CZ ARG A 586 57.950 3.705 -8.363 1.00 0.00 C ATOM 1049 NH1 ARG A 586 58.614 4.751 -8.796 1.00 0.00 N ATOM 1050 NH2 ARG A 586 56.707 3.846 -7.988 1.00 0.00 N ATOM 0 H ARG A 586 63.832 2.478 -5.767 1.00 0.00 H new ATOM 0 HA ARG A 586 61.907 3.550 -5.451 1.00 0.00 H new ATOM 0 HB2 ARG A 586 60.959 0.922 -6.598 1.00 0.00 H new ATOM 0 HB3 ARG A 586 59.756 2.027 -5.964 1.00 0.00 H new ATOM 0 HG2 ARG A 586 60.625 3.852 -7.425 1.00 0.00 H new ATOM 0 HG3 ARG A 586 61.890 2.796 -8.021 1.00 0.00 H new ATOM 0 HD2 ARG A 586 60.102 2.735 -9.660 1.00 0.00 H new ATOM 0 HD3 ARG A 586 60.080 1.191 -8.832 1.00 0.00 H new ATOM 0 HE ARG A 586 57.969 1.708 -7.952 1.00 0.00 H new ATOM 0 HH11 ARG A 586 59.586 4.652 -9.090 1.00 0.00 H new ATOM 0 HH12 ARG A 586 58.158 5.663 -8.838 1.00 0.00 H new ATOM 0 HH21 ARG A 586 56.182 3.040 -7.649 1.00 0.00 H new ATOM 0 HH22 ARG A 586 56.261 4.762 -8.034 1.00 0.00 H new