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 Set 1.1: A 555 GLN : amide:sc= -0.0823 K(o=-4.6,f=-7.1) USER MOD Set 1.2: A 566 HIS : no HE2:sc= -4.56! C(o=-4.6!,f=-9.7!) USER MOD Single : A 530 THR OG1 : rot 180:sc= 0.0108 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 535 MET CE :methyl 157:sc= -2.83 (180deg=-4.99!) USER MOD Single : A 536 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 544 MET CE :methyl -107:sc= -2.07 (180deg=-3.66!) USER MOD Single : A 545 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 549 MET CE :methyl 160:sc= -8.05! (180deg=-9.57!) USER MOD Single : A 550 GLN : amide:sc=-0.000754 K(o=-0.00075,f=-0.89) USER MOD Single : A 551 SER OG : rot 79:sc= 0.0382 USER MOD Single : A 554 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 557 GLN : amide:sc= -0.216 X(o=-0.22,f=0) USER MOD Single : A 558 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 559 ASN : amide:sc= -0.669 K(o=-0.67,f=-2.2) USER MOD Single : A 564 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 567 MET CE :methyl -159:sc= 0 (180deg=-0.00876) USER MOD Single : A 568 LYS NZ :NH3+ -167:sc=-0.00968 (180deg=-0.28) USER MOD Single : A 569 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.3) USER MOD Single : A 574 LYS NZ :NH3+ 155:sc= -0.0787 (180deg=-0.587) USER MOD Single : A 575 LYS NZ :NH3+ -135:sc= 1.19 (180deg=0.169) USER MOD Single : A 577 GLN : amide:sc= -3.19 X(o=-3.2,f=-3.5!) USER MOD Single : A 578 THR OG1 : rot 83:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 527 70.111 0.686 4.581 1.00 0.00 N ATOM 108 CA PRO A 527 70.034 0.249 3.149 1.00 0.00 C ATOM 109 C PRO A 527 70.935 -0.952 2.865 1.00 0.00 C ATOM 110 O PRO A 527 70.615 -1.798 2.026 1.00 0.00 O ATOM 111 CB PRO A 527 70.496 1.476 2.356 1.00 0.00 C ATOM 112 CG PRO A 527 70.262 2.641 3.255 1.00 0.00 C ATOM 113 CD PRO A 527 70.427 2.126 4.681 1.00 0.00 C ATOM 0 HA PRO A 527 69.029 -0.077 2.881 1.00 0.00 H new ATOM 0 HB2 PRO A 527 71.549 1.395 2.085 1.00 0.00 H new ATOM 0 HB3 PRO A 527 69.934 1.578 1.427 1.00 0.00 H new ATOM 0 HG2 PRO A 527 70.972 3.441 3.047 1.00 0.00 H new ATOM 0 HG3 PRO A 527 69.264 3.053 3.104 1.00 0.00 H new ATOM 0 HD2 PRO A 527 71.440 2.287 5.049 1.00 0.00 H new ATOM 0 HD3 PRO A 527 69.753 2.635 5.370 1.00 0.00 H new ATOM 121 N GLU A 528 72.049 -1.038 3.595 1.00 0.00 N ATOM 122 CA GLU A 528 72.992 -2.143 3.420 1.00 0.00 C ATOM 123 C GLU A 528 72.330 -3.482 3.737 1.00 0.00 C ATOM 124 O GLU A 528 72.590 -4.484 3.066 1.00 0.00 O ATOM 125 CB GLU A 528 74.206 -1.946 4.330 1.00 0.00 C ATOM 126 CG GLU A 528 74.974 -0.695 3.896 1.00 0.00 C ATOM 127 CD GLU A 528 76.241 -0.530 4.735 1.00 0.00 C ATOM 128 OE1 GLU A 528 76.204 -0.867 5.908 1.00 0.00 O ATOM 129 OE2 GLU A 528 77.229 -0.068 4.190 1.00 0.00 O ATOM 0 H GLU A 528 72.319 -0.360 4.308 1.00 0.00 H new ATOM 0 HA GLU A 528 73.313 -2.151 2.378 1.00 0.00 H new ATOM 0 HB2 GLU A 528 73.884 -1.846 5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 528 74.856 -2.820 4.281 1.00 0.00 H new ATOM 0 HG2 GLU A 528 75.236 -0.769 2.841 1.00 0.00 H new ATOM 0 HG3 GLU A 528 74.340 0.185 4.006 1.00 0.00 H new ATOM 136 N GLU A 529 71.439 -3.487 4.731 1.00 0.00 N ATOM 137 CA GLU A 529 70.784 -4.725 5.148 1.00 0.00 C ATOM 138 C GLU A 529 69.844 -5.223 4.055 1.00 0.00 C ATOM 139 O GLU A 529 69.799 -6.417 3.756 1.00 0.00 O ATOM 140 CB GLU A 529 69.992 -4.495 6.436 1.00 0.00 C ATOM 141 CG GLU A 529 69.662 -5.842 7.081 1.00 0.00 C ATOM 142 CD GLU A 529 68.757 -5.636 8.292 1.00 0.00 C ATOM 143 OE1 GLU A 529 67.837 -4.841 8.193 1.00 0.00 O ATOM 144 OE2 GLU A 529 69.000 -6.275 9.302 1.00 0.00 O ATOM 0 H GLU A 529 71.158 -2.658 5.255 1.00 0.00 H new ATOM 0 HA GLU A 529 71.553 -5.477 5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 529 70.571 -3.882 7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 529 69.074 -3.950 6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 529 69.170 -6.490 6.356 1.00 0.00 H new ATOM 0 HG3 GLU A 529 70.581 -6.343 7.385 1.00 0.00 H new ATOM 151 N THR A 530 69.114 -4.292 3.437 1.00 0.00 N ATOM 152 CA THR A 530 68.171 -4.643 2.377 1.00 0.00 C ATOM 153 C THR A 530 68.889 -5.316 1.207 1.00 0.00 C ATOM 154 O THR A 530 68.466 -6.373 0.736 1.00 0.00 O ATOM 155 CB THR A 530 67.454 -3.386 1.879 1.00 0.00 C ATOM 156 OG1 THR A 530 67.048 -2.605 2.994 1.00 0.00 O ATOM 157 CG2 THR A 530 66.225 -3.783 1.059 1.00 0.00 C ATOM 0 H THR A 530 69.158 -3.296 3.652 1.00 0.00 H new ATOM 0 HA THR A 530 67.443 -5.343 2.788 1.00 0.00 H new ATOM 0 HB THR A 530 68.131 -2.806 1.252 1.00 0.00 H new ATOM 0 HG1 THR A 530 66.590 -1.798 2.679 1.00 0.00 H new ATOM 0 HG21 THR A 530 65.717 -2.885 0.706 1.00 0.00 H new ATOM 0 HG22 THR A 530 66.536 -4.383 0.204 1.00 0.00 H new ATOM 0 HG23 THR A 530 65.544 -4.364 1.682 1.00 0.00 H new ATOM 165 N TYR A 531 69.996 -4.717 0.765 1.00 0.00 N ATOM 166 CA TYR A 531 70.757 -5.257 -0.359 1.00 0.00 C ATOM 167 C TYR A 531 71.227 -6.692 -0.096 1.00 0.00 C ATOM 168 O TYR A 531 70.937 -7.590 -0.885 1.00 0.00 O ATOM 169 CB TYR A 531 71.968 -4.365 -0.654 1.00 0.00 C ATOM 170 CG TYR A 531 71.641 -3.172 -1.523 1.00 0.00 C ATOM 171 CD1 TYR A 531 70.674 -2.228 -1.101 1.00 0.00 C ATOM 172 CD2 TYR A 531 72.305 -2.998 -2.762 1.00 0.00 C ATOM 173 CE1 TYR A 531 70.370 -1.111 -1.918 1.00 0.00 C ATOM 174 CE2 TYR A 531 72.002 -1.882 -3.579 1.00 0.00 C ATOM 175 CZ TYR A 531 71.034 -0.938 -3.156 1.00 0.00 C ATOM 176 OH TYR A 531 70.738 0.151 -3.952 1.00 0.00 O ATOM 0 H TYR A 531 70.383 -3.863 1.166 1.00 0.00 H new ATOM 0 HA TYR A 531 70.092 -5.275 -1.223 1.00 0.00 H new ATOM 0 HB2 TYR A 531 72.389 -4.014 0.288 1.00 0.00 H new ATOM 0 HB3 TYR A 531 72.738 -4.961 -1.144 1.00 0.00 H new ATOM 0 HD1 TYR A 531 70.168 -2.359 -0.156 1.00 0.00 H new ATOM 0 HD2 TYR A 531 73.043 -3.717 -3.084 1.00 0.00 H new ATOM 0 HE1 TYR A 531 69.632 -0.392 -1.596 1.00 0.00 H new ATOM 0 HE2 TYR A 531 72.508 -1.750 -4.524 1.00 0.00 H new ATOM 0 HH TYR A 531 71.283 0.119 -4.766 1.00 0.00 H new ATOM 186 N GLN A 532 71.932 -6.917 1.020 1.00 0.00 N ATOM 187 CA GLN A 532 72.525 -8.235 1.279 1.00 0.00 C ATOM 188 C GLN A 532 71.449 -9.328 1.333 1.00 0.00 C ATOM 189 O GLN A 532 71.624 -10.413 0.771 1.00 0.00 O ATOM 190 CB GLN A 532 73.359 -8.217 2.577 1.00 0.00 C ATOM 191 CG GLN A 532 72.461 -8.111 3.819 1.00 0.00 C ATOM 192 CD GLN A 532 73.316 -8.155 5.081 1.00 0.00 C ATOM 193 OE1 GLN A 532 73.876 -7.136 5.487 1.00 0.00 O ATOM 194 NE2 GLN A 532 73.450 -9.278 5.729 1.00 0.00 N ATOM 0 H GLN A 532 72.104 -6.220 1.744 1.00 0.00 H new ATOM 0 HA GLN A 532 73.193 -8.468 0.450 1.00 0.00 H new ATOM 0 HB2 GLN A 532 73.960 -9.124 2.637 1.00 0.00 H new ATOM 0 HB3 GLN A 532 74.052 -7.376 2.554 1.00 0.00 H new ATOM 0 HG2 GLN A 532 71.890 -7.183 3.788 1.00 0.00 H new ATOM 0 HG3 GLN A 532 71.740 -8.929 3.829 1.00 0.00 H new ATOM 0 HE21 GLN A 532 72.985 -10.121 5.391 1.00 0.00 H new ATOM 0 HE22 GLN A 532 74.020 -9.314 6.574 1.00 0.00 H new ATOM 203 N ARG A 533 70.303 -9.011 1.943 1.00 0.00 N ATOM 204 CA ARG A 533 69.194 -9.963 2.011 1.00 0.00 C ATOM 205 C ARG A 533 68.762 -10.366 0.601 1.00 0.00 C ATOM 206 O ARG A 533 68.726 -11.550 0.269 1.00 0.00 O ATOM 207 CB ARG A 533 68.010 -9.343 2.760 1.00 0.00 C ATOM 208 CG ARG A 533 66.970 -10.423 3.068 1.00 0.00 C ATOM 209 CD ARG A 533 65.738 -9.780 3.706 1.00 0.00 C ATOM 210 NE ARG A 533 66.102 -9.126 4.964 1.00 0.00 N ATOM 211 CZ ARG A 533 66.378 -9.819 6.079 1.00 0.00 C ATOM 212 NH1 ARG A 533 66.334 -11.130 6.096 1.00 0.00 N ATOM 213 NH2 ARG A 533 66.697 -9.176 7.169 1.00 0.00 N ATOM 0 H ARG A 533 70.121 -8.113 2.391 1.00 0.00 H new ATOM 0 HA ARG A 533 69.527 -10.850 2.549 1.00 0.00 H new ATOM 0 HB2 ARG A 533 68.354 -8.882 3.686 1.00 0.00 H new ATOM 0 HB3 ARG A 533 67.560 -8.553 2.158 1.00 0.00 H new ATOM 0 HG2 ARG A 533 66.689 -10.943 2.152 1.00 0.00 H new ATOM 0 HG3 ARG A 533 67.393 -11.169 3.741 1.00 0.00 H new ATOM 0 HD2 ARG A 533 65.304 -9.051 3.021 1.00 0.00 H new ATOM 0 HD3 ARG A 533 64.977 -10.538 3.889 1.00 0.00 H new ATOM 0 HE ARG A 533 66.147 -8.107 4.994 1.00 0.00 H new ATOM 0 HH11 ARG A 533 66.086 -11.643 5.250 1.00 0.00 H new ATOM 0 HH12 ARG A 533 66.548 -11.636 6.955 1.00 0.00 H new ATOM 0 HH21 ARG A 533 66.735 -8.157 7.167 1.00 0.00 H new ATOM 0 HH22 ARG A 533 66.909 -9.693 8.023 1.00 0.00 H new ATOM 227 N ALA A 534 68.573 -9.364 -0.257 1.00 0.00 N ATOM 228 CA ALA A 534 68.188 -9.608 -1.649 1.00 0.00 C ATOM 229 C ALA A 534 69.255 -10.430 -2.377 1.00 0.00 C ATOM 230 O ALA A 534 68.936 -11.277 -3.212 1.00 0.00 O ATOM 231 CB ALA A 534 67.999 -8.273 -2.372 1.00 0.00 C ATOM 0 H ALA A 534 68.679 -8.379 -0.015 1.00 0.00 H new ATOM 0 HA ALA A 534 67.254 -10.169 -1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 534 67.713 -8.457 -3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 534 67.217 -7.698 -1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 534 68.933 -7.711 -2.348 1.00 0.00 H new ATOM 237 N MET A 535 70.519 -10.186 -2.033 1.00 0.00 N ATOM 238 CA MET A 535 71.640 -10.856 -2.694 1.00 0.00 C ATOM 239 C MET A 535 71.600 -12.368 -2.466 1.00 0.00 C ATOM 240 O MET A 535 72.093 -13.135 -3.296 1.00 0.00 O ATOM 241 CB MET A 535 72.968 -10.293 -2.182 1.00 0.00 C ATOM 242 CG MET A 535 73.233 -8.939 -2.842 1.00 0.00 C ATOM 243 SD MET A 535 73.739 -9.196 -4.563 1.00 0.00 S ATOM 244 CE MET A 535 72.205 -8.639 -5.347 1.00 0.00 C ATOM 0 H MET A 535 70.793 -9.530 -1.301 1.00 0.00 H new ATOM 0 HA MET A 535 71.553 -10.670 -3.764 1.00 0.00 H new ATOM 0 HB2 MET A 535 72.935 -10.182 -1.098 1.00 0.00 H new ATOM 0 HB3 MET A 535 73.780 -10.985 -2.407 1.00 0.00 H new ATOM 0 HG2 MET A 535 72.335 -8.322 -2.804 1.00 0.00 H new ATOM 0 HG3 MET A 535 74.012 -8.404 -2.299 1.00 0.00 H new ATOM 0 HE1 MET A 535 72.412 -8.326 -6.370 1.00 0.00 H new ATOM 0 HE2 MET A 535 71.484 -9.456 -5.356 1.00 0.00 H new ATOM 0 HE3 MET A 535 71.794 -7.799 -4.787 1.00 0.00 H new ATOM 254 N LYS A 536 71.017 -12.792 -1.344 1.00 0.00 N ATOM 255 CA LYS A 536 70.819 -14.219 -1.094 1.00 0.00 C ATOM 256 C LYS A 536 69.748 -14.790 -2.027 1.00 0.00 C ATOM 257 O LYS A 536 69.711 -15.998 -2.268 1.00 0.00 O ATOM 258 CB LYS A 536 70.417 -14.450 0.365 1.00 0.00 C ATOM 259 CG LYS A 536 71.570 -14.043 1.283 1.00 0.00 C ATOM 260 CD LYS A 536 71.161 -14.255 2.743 1.00 0.00 C ATOM 261 CE LYS A 536 71.131 -15.753 3.054 1.00 0.00 C ATOM 262 NZ LYS A 536 70.815 -15.955 4.496 1.00 0.00 N ATOM 0 H LYS A 536 70.678 -12.177 -0.604 1.00 0.00 H new ATOM 0 HA LYS A 536 71.760 -14.733 -1.290 1.00 0.00 H new ATOM 0 HB2 LYS A 536 69.526 -13.870 0.604 1.00 0.00 H new ATOM 0 HB3 LYS A 536 70.166 -15.499 0.522 1.00 0.00 H new ATOM 0 HG2 LYS A 536 72.457 -14.633 1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 536 71.831 -12.998 1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 536 71.864 -13.750 3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 536 70.180 -13.816 2.924 1.00 0.00 H new ATOM 0 HE2 LYS A 536 70.384 -16.249 2.434 1.00 0.00 H new ATOM 0 HE3 LYS A 536 72.094 -16.204 2.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 536 70.795 -16.973 4.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 536 71.543 -15.495 5.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 536 69.886 -15.538 4.710 1.00 0.00 H new ATOM 276 N ASP A 537 68.880 -13.920 -2.546 1.00 0.00 N ATOM 277 CA ASP A 537 67.889 -14.332 -3.536 1.00 0.00 C ATOM 278 C ASP A 537 68.528 -14.392 -4.931 1.00 0.00 C ATOM 279 O ASP A 537 68.945 -13.360 -5.461 1.00 0.00 O ATOM 280 CB ASP A 537 66.723 -13.336 -3.549 1.00 0.00 C ATOM 281 CG ASP A 537 65.552 -13.875 -4.376 1.00 0.00 C ATOM 282 OD1 ASP A 537 65.728 -14.878 -5.053 1.00 0.00 O ATOM 283 OD2 ASP A 537 64.493 -13.274 -4.320 1.00 0.00 O ATOM 0 H ASP A 537 68.844 -12.931 -2.298 1.00 0.00 H new ATOM 0 HA ASP A 537 67.518 -15.322 -3.271 1.00 0.00 H new ATOM 0 HB2 ASP A 537 66.394 -13.142 -2.528 1.00 0.00 H new ATOM 0 HB3 ASP A 537 67.057 -12.384 -3.962 1.00 0.00 H new ATOM 288 N PRO A 538 68.609 -15.562 -5.541 1.00 0.00 N ATOM 289 CA PRO A 538 69.384 -15.735 -6.815 1.00 0.00 C ATOM 290 C PRO A 538 68.913 -14.793 -7.924 1.00 0.00 C ATOM 291 O PRO A 538 69.718 -14.319 -8.727 1.00 0.00 O ATOM 292 CB PRO A 538 69.150 -17.200 -7.212 1.00 0.00 C ATOM 293 CG PRO A 538 68.691 -17.886 -5.973 1.00 0.00 C ATOM 294 CD PRO A 538 67.975 -16.833 -5.133 1.00 0.00 C ATOM 0 HA PRO A 538 70.437 -15.495 -6.669 1.00 0.00 H new ATOM 0 HB2 PRO A 538 68.403 -17.277 -8.002 1.00 0.00 H new ATOM 0 HB3 PRO A 538 70.065 -17.653 -7.594 1.00 0.00 H new ATOM 0 HG2 PRO A 538 68.021 -18.712 -6.213 1.00 0.00 H new ATOM 0 HG3 PRO A 538 69.535 -18.308 -5.428 1.00 0.00 H new ATOM 0 HD2 PRO A 538 66.903 -16.826 -5.330 1.00 0.00 H new ATOM 0 HD3 PRO A 538 68.102 -17.019 -4.066 1.00 0.00 H new ATOM 302 N GLU A 539 67.617 -14.481 -7.929 1.00 0.00 N ATOM 303 CA GLU A 539 67.048 -13.652 -8.989 1.00 0.00 C ATOM 304 C GLU A 539 67.587 -12.228 -8.895 1.00 0.00 C ATOM 305 O GLU A 539 67.923 -11.614 -9.906 1.00 0.00 O ATOM 306 CB GLU A 539 65.520 -13.632 -8.891 1.00 0.00 C ATOM 307 CG GLU A 539 64.980 -15.057 -9.031 1.00 0.00 C ATOM 308 CD GLU A 539 63.456 -15.038 -9.035 1.00 0.00 C ATOM 309 OE1 GLU A 539 62.881 -14.865 -7.972 1.00 0.00 O ATOM 310 OE2 GLU A 539 62.883 -15.196 -10.101 1.00 0.00 O ATOM 0 H GLU A 539 66.950 -14.786 -7.220 1.00 0.00 H new ATOM 0 HA GLU A 539 67.336 -14.080 -9.949 1.00 0.00 H new ATOM 0 HB2 GLU A 539 65.212 -13.207 -7.936 1.00 0.00 H new ATOM 0 HB3 GLU A 539 65.103 -12.996 -9.672 1.00 0.00 H new ATOM 0 HG2 GLU A 539 65.349 -15.506 -9.953 1.00 0.00 H new ATOM 0 HG3 GLU A 539 65.342 -15.675 -8.209 1.00 0.00 H new ATOM 317 N VAL A 540 67.750 -11.740 -7.666 1.00 0.00 N ATOM 318 CA VAL A 540 68.253 -10.385 -7.449 1.00 0.00 C ATOM 319 C VAL A 540 69.703 -10.283 -7.921 1.00 0.00 C ATOM 320 O VAL A 540 70.079 -9.321 -8.592 1.00 0.00 O ATOM 321 CB VAL A 540 68.166 -10.024 -5.959 1.00 0.00 C ATOM 322 CG1 VAL A 540 68.576 -8.561 -5.745 1.00 0.00 C ATOM 323 CG2 VAL A 540 66.730 -10.225 -5.461 1.00 0.00 C ATOM 0 H VAL A 540 67.543 -12.258 -6.812 1.00 0.00 H new ATOM 0 HA VAL A 540 67.642 -9.687 -8.021 1.00 0.00 H new ATOM 0 HB VAL A 540 68.842 -10.672 -5.401 1.00 0.00 H new ATOM 0 HG11 VAL A 540 68.510 -8.316 -4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 540 69.600 -8.416 -6.088 1.00 0.00 H new ATOM 0 HG13 VAL A 540 67.909 -7.910 -6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 540 66.672 -9.968 -4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 540 66.055 -9.583 -6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 540 66.440 -11.267 -5.597 1.00 0.00 H new ATOM 333 N ALA A 541 70.505 -11.289 -7.582 1.00 0.00 N ATOM 334 CA ALA A 541 71.922 -11.295 -7.953 1.00 0.00 C ATOM 335 C ALA A 541 72.078 -11.172 -9.468 1.00 0.00 C ATOM 336 O ALA A 541 72.873 -10.370 -9.964 1.00 0.00 O ATOM 337 CB ALA A 541 72.577 -12.597 -7.476 1.00 0.00 C ATOM 0 H ALA A 541 70.202 -12.108 -7.054 1.00 0.00 H new ATOM 0 HA ALA A 541 72.410 -10.444 -7.477 1.00 0.00 H new ATOM 0 HB1 ALA A 541 73.631 -12.597 -7.754 1.00 0.00 H new ATOM 0 HB2 ALA A 541 72.488 -12.674 -6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 541 72.079 -13.447 -7.942 1.00 0.00 H new ATOM 343 N ALA A 542 71.257 -11.928 -10.191 1.00 0.00 N ATOM 344 CA ALA A 542 71.327 -11.947 -11.654 1.00 0.00 C ATOM 345 C ALA A 542 70.996 -10.574 -12.239 1.00 0.00 C ATOM 346 O ALA A 542 71.638 -10.128 -13.190 1.00 0.00 O ATOM 347 CB ALA A 542 70.350 -12.985 -12.210 1.00 0.00 C ATOM 0 H ALA A 542 70.539 -12.533 -9.794 1.00 0.00 H new ATOM 0 HA ALA A 542 72.346 -12.210 -11.939 1.00 0.00 H new ATOM 0 HB1 ALA A 542 70.408 -12.993 -13.298 1.00 0.00 H new ATOM 0 HB2 ALA A 542 70.609 -13.971 -11.826 1.00 0.00 H new ATOM 0 HB3 ALA A 542 69.336 -12.731 -11.903 1.00 0.00 H new ATOM 353 N ILE A 543 70.003 -9.905 -11.655 1.00 0.00 N ATOM 354 CA ILE A 543 69.545 -8.611 -12.163 1.00 0.00 C ATOM 355 C ILE A 543 70.631 -7.541 -12.012 1.00 0.00 C ATOM 356 O ILE A 543 70.880 -6.775 -12.945 1.00 0.00 O ATOM 357 CB ILE A 543 68.263 -8.205 -11.416 1.00 0.00 C ATOM 358 CG1 ILE A 543 67.162 -9.213 -11.758 1.00 0.00 C ATOM 359 CG2 ILE A 543 67.805 -6.800 -11.831 1.00 0.00 C ATOM 360 CD1 ILE A 543 65.954 -8.991 -10.848 1.00 0.00 C ATOM 0 H ILE A 543 69.501 -10.236 -10.831 1.00 0.00 H new ATOM 0 HA ILE A 543 69.330 -8.700 -13.228 1.00 0.00 H new ATOM 0 HB ILE A 543 68.464 -8.198 -10.345 1.00 0.00 H new ATOM 0 HG12 ILE A 543 66.867 -9.103 -12.802 1.00 0.00 H new ATOM 0 HG13 ILE A 543 67.537 -10.229 -11.638 1.00 0.00 H new ATOM 0 HG21 ILE A 543 66.897 -6.538 -11.288 1.00 0.00 H new ATOM 0 HG22 ILE A 543 68.588 -6.078 -11.598 1.00 0.00 H new ATOM 0 HG23 ILE A 543 67.604 -6.784 -12.902 1.00 0.00 H new ATOM 0 HD11 ILE A 543 65.174 -9.711 -11.096 1.00 0.00 H new ATOM 0 HD12 ILE A 543 66.253 -9.124 -9.808 1.00 0.00 H new ATOM 0 HD13 ILE A 543 65.573 -7.980 -10.990 1.00 0.00 H new ATOM 372 N MET A 544 71.274 -7.489 -10.845 1.00 0.00 N ATOM 373 CA MET A 544 72.323 -6.491 -10.605 1.00 0.00 C ATOM 374 C MET A 544 73.499 -6.687 -11.563 1.00 0.00 C ATOM 375 O MET A 544 74.160 -5.720 -11.948 1.00 0.00 O ATOM 376 CB MET A 544 72.816 -6.566 -9.159 1.00 0.00 C ATOM 377 CG MET A 544 71.831 -5.832 -8.248 1.00 0.00 C ATOM 378 SD MET A 544 72.547 -5.659 -6.594 1.00 0.00 S ATOM 379 CE MET A 544 71.098 -4.923 -5.798 1.00 0.00 C ATOM 0 H MET A 544 71.093 -8.115 -10.060 1.00 0.00 H new ATOM 0 HA MET A 544 71.891 -5.506 -10.784 1.00 0.00 H new ATOM 0 HB2 MET A 544 72.909 -7.607 -8.849 1.00 0.00 H new ATOM 0 HB3 MET A 544 73.807 -6.119 -9.077 1.00 0.00 H new ATOM 0 HG2 MET A 544 71.601 -4.850 -8.660 1.00 0.00 H new ATOM 0 HG3 MET A 544 70.892 -6.382 -8.193 1.00 0.00 H new ATOM 0 HE1 MET A 544 71.283 -3.865 -5.613 1.00 0.00 H new ATOM 0 HE2 MET A 544 70.231 -5.032 -6.449 1.00 0.00 H new ATOM 0 HE3 MET A 544 70.907 -5.429 -4.852 1.00 0.00 H new ATOM 389 N GLN A 545 73.752 -7.939 -11.942 1.00 0.00 N ATOM 390 CA GLN A 545 74.775 -8.235 -12.947 1.00 0.00 C ATOM 391 C GLN A 545 74.236 -8.096 -14.379 1.00 0.00 C ATOM 392 O GLN A 545 74.960 -8.350 -15.343 1.00 0.00 O ATOM 393 CB GLN A 545 75.301 -9.656 -12.743 1.00 0.00 C ATOM 394 CG GLN A 545 76.398 -9.653 -11.677 1.00 0.00 C ATOM 395 CD GLN A 545 76.984 -11.054 -11.529 1.00 0.00 C ATOM 396 OE1 GLN A 545 77.828 -11.462 -12.328 1.00 0.00 O ATOM 397 NE2 GLN A 545 76.585 -11.818 -10.550 1.00 0.00 N ATOM 0 H GLN A 545 73.269 -8.758 -11.573 1.00 0.00 H new ATOM 0 HA GLN A 545 75.578 -7.510 -12.819 1.00 0.00 H new ATOM 0 HB2 GLN A 545 74.488 -10.315 -12.439 1.00 0.00 H new ATOM 0 HB3 GLN A 545 75.694 -10.047 -13.682 1.00 0.00 H new ATOM 0 HG2 GLN A 545 77.183 -8.949 -11.953 1.00 0.00 H new ATOM 0 HG3 GLN A 545 75.989 -9.318 -10.724 1.00 0.00 H new ATOM 0 HE21 GLN A 545 75.886 -11.478 -9.890 1.00 0.00 H new ATOM 0 HE22 GLN A 545 76.972 -12.756 -10.445 1.00 0.00 H new ATOM 406 N ASP A 546 72.973 -7.694 -14.514 1.00 0.00 N ATOM 407 CA ASP A 546 72.348 -7.535 -15.827 1.00 0.00 C ATOM 408 C ASP A 546 72.061 -6.046 -16.088 1.00 0.00 C ATOM 409 O ASP A 546 71.359 -5.406 -15.302 1.00 0.00 O ATOM 410 CB ASP A 546 71.032 -8.330 -15.858 1.00 0.00 C ATOM 411 CG ASP A 546 70.709 -8.833 -17.268 1.00 0.00 C ATOM 412 OD1 ASP A 546 71.562 -8.737 -18.135 1.00 0.00 O ATOM 413 OD2 ASP A 546 69.604 -9.312 -17.459 1.00 0.00 O ATOM 0 H ASP A 546 72.361 -7.472 -13.729 1.00 0.00 H new ATOM 0 HA ASP A 546 73.020 -7.909 -16.600 1.00 0.00 H new ATOM 0 HB2 ASP A 546 71.102 -9.178 -15.176 1.00 0.00 H new ATOM 0 HB3 ASP A 546 70.217 -7.700 -15.501 1.00 0.00 H new ATOM 418 N PRO A 547 72.571 -5.487 -17.168 1.00 0.00 N ATOM 419 CA PRO A 547 72.605 -4.000 -17.348 1.00 0.00 C ATOM 420 C PRO A 547 71.226 -3.388 -17.626 1.00 0.00 C ATOM 421 O PRO A 547 71.052 -2.172 -17.525 1.00 0.00 O ATOM 422 CB PRO A 547 73.544 -3.805 -18.537 1.00 0.00 C ATOM 423 CG PRO A 547 73.385 -5.034 -19.360 1.00 0.00 C ATOM 424 CD PRO A 547 73.034 -6.169 -18.396 1.00 0.00 C ATOM 0 HA PRO A 547 72.937 -3.496 -16.440 1.00 0.00 H new ATOM 0 HB2 PRO A 547 73.281 -2.913 -19.105 1.00 0.00 H new ATOM 0 HB3 PRO A 547 74.576 -3.681 -18.209 1.00 0.00 H new ATOM 0 HG2 PRO A 547 72.600 -4.902 -20.104 1.00 0.00 H new ATOM 0 HG3 PRO A 547 74.304 -5.258 -19.902 1.00 0.00 H new ATOM 0 HD2 PRO A 547 72.257 -6.813 -18.808 1.00 0.00 H new ATOM 0 HD3 PRO A 547 73.899 -6.801 -18.196 1.00 0.00 H new ATOM 432 N VAL A 548 70.240 -4.231 -17.949 1.00 0.00 N ATOM 433 CA VAL A 548 68.949 -3.739 -18.443 1.00 0.00 C ATOM 434 C VAL A 548 68.307 -2.786 -17.432 1.00 0.00 C ATOM 435 O VAL A 548 68.012 -1.636 -17.757 1.00 0.00 O ATOM 436 CB VAL A 548 68.007 -4.925 -18.717 1.00 0.00 C ATOM 437 CG1 VAL A 548 66.635 -4.427 -19.194 1.00 0.00 C ATOM 438 CG2 VAL A 548 68.623 -5.817 -19.798 1.00 0.00 C ATOM 0 H VAL A 548 70.309 -5.246 -17.879 1.00 0.00 H new ATOM 0 HA VAL A 548 69.121 -3.192 -19.370 1.00 0.00 H new ATOM 0 HB VAL A 548 67.874 -5.489 -17.794 1.00 0.00 H new ATOM 0 HG11 VAL A 548 65.984 -5.280 -19.382 1.00 0.00 H new ATOM 0 HG12 VAL A 548 66.191 -3.794 -18.426 1.00 0.00 H new ATOM 0 HG13 VAL A 548 66.756 -3.853 -20.113 1.00 0.00 H new ATOM 0 HG21 VAL A 548 67.960 -6.659 -19.996 1.00 0.00 H new ATOM 0 HG22 VAL A 548 68.759 -5.239 -20.712 1.00 0.00 H new ATOM 0 HG23 VAL A 548 69.589 -6.189 -19.456 1.00 0.00 H new ATOM 448 N MET A 549 68.156 -3.247 -16.196 1.00 0.00 N ATOM 449 CA MET A 549 67.377 -2.497 -15.215 1.00 0.00 C ATOM 450 C MET A 549 68.071 -1.193 -14.836 1.00 0.00 C ATOM 451 O MET A 549 67.408 -0.200 -14.534 1.00 0.00 O ATOM 452 CB MET A 549 67.116 -3.342 -13.966 1.00 0.00 C ATOM 453 CG MET A 549 65.806 -4.113 -14.151 1.00 0.00 C ATOM 454 SD MET A 549 65.313 -4.886 -12.593 1.00 0.00 S ATOM 455 CE MET A 549 65.085 -3.370 -11.636 1.00 0.00 C ATOM 0 H MET A 549 68.554 -4.121 -15.852 1.00 0.00 H new ATOM 0 HA MET A 549 66.420 -2.250 -15.675 1.00 0.00 H new ATOM 0 HB2 MET A 549 67.941 -4.035 -13.801 1.00 0.00 H new ATOM 0 HB3 MET A 549 67.056 -2.703 -13.085 1.00 0.00 H new ATOM 0 HG2 MET A 549 65.023 -3.437 -14.494 1.00 0.00 H new ATOM 0 HG3 MET A 549 65.929 -4.875 -14.921 1.00 0.00 H new ATOM 0 HE1 MET A 549 64.453 -3.577 -10.772 1.00 0.00 H new ATOM 0 HE2 MET A 549 66.054 -3.004 -11.297 1.00 0.00 H new ATOM 0 HE3 MET A 549 64.610 -2.614 -12.260 1.00 0.00 H new ATOM 465 N GLN A 550 69.405 -1.185 -14.881 1.00 0.00 N ATOM 466 CA GLN A 550 70.161 0.045 -14.638 1.00 0.00 C ATOM 467 C GLN A 550 69.774 1.119 -15.655 1.00 0.00 C ATOM 468 O GLN A 550 69.520 2.270 -15.294 1.00 0.00 O ATOM 469 CB GLN A 550 71.662 -0.234 -14.738 1.00 0.00 C ATOM 470 CG GLN A 550 72.075 -1.215 -13.639 1.00 0.00 C ATOM 471 CD GLN A 550 73.582 -1.443 -13.678 1.00 0.00 C ATOM 472 OE1 GLN A 550 74.344 -0.521 -13.971 1.00 0.00 O ATOM 473 NE2 GLN A 550 74.062 -2.624 -13.398 1.00 0.00 N ATOM 0 H GLN A 550 69.978 -2.005 -15.081 1.00 0.00 H new ATOM 0 HA GLN A 550 69.925 0.403 -13.636 1.00 0.00 H new ATOM 0 HB2 GLN A 550 71.901 -0.648 -15.718 1.00 0.00 H new ATOM 0 HB3 GLN A 550 72.222 0.696 -14.639 1.00 0.00 H new ATOM 0 HG2 GLN A 550 71.784 -0.824 -12.664 1.00 0.00 H new ATOM 0 HG3 GLN A 550 71.553 -2.162 -13.772 1.00 0.00 H new ATOM 0 HE21 GLN A 550 73.430 -3.387 -13.155 1.00 0.00 H new ATOM 0 HE22 GLN A 550 75.069 -2.784 -13.422 1.00 0.00 H new ATOM 482 N SER A 551 69.685 0.718 -16.924 1.00 0.00 N ATOM 483 CA SER A 551 69.304 1.641 -17.993 1.00 0.00 C ATOM 484 C SER A 551 67.884 2.174 -17.793 1.00 0.00 C ATOM 485 O SER A 551 67.633 3.361 -17.993 1.00 0.00 O ATOM 486 CB SER A 551 69.401 0.942 -19.350 1.00 0.00 C ATOM 487 OG SER A 551 70.705 0.399 -19.507 1.00 0.00 O ATOM 0 H SER A 551 69.871 -0.235 -17.235 1.00 0.00 H new ATOM 0 HA SER A 551 69.993 2.485 -17.964 1.00 0.00 H new ATOM 0 HB2 SER A 551 68.655 0.151 -19.418 1.00 0.00 H new ATOM 0 HB3 SER A 551 69.190 1.649 -20.152 1.00 0.00 H new ATOM 0 HG SER A 551 70.775 -0.435 -18.998 1.00 0.00 H new ATOM 493 N ILE A 552 66.962 1.302 -17.375 1.00 0.00 N ATOM 494 CA ILE A 552 65.558 1.697 -17.213 1.00 0.00 C ATOM 495 C ILE A 552 65.424 2.779 -16.139 1.00 0.00 C ATOM 496 O ILE A 552 64.758 3.791 -16.349 1.00 0.00 O ATOM 497 CB ILE A 552 64.697 0.477 -16.835 1.00 0.00 C ATOM 498 CG1 ILE A 552 64.913 -0.642 -17.864 1.00 0.00 C ATOM 499 CG2 ILE A 552 63.210 0.868 -16.828 1.00 0.00 C ATOM 500 CD1 ILE A 552 64.257 -1.933 -17.375 1.00 0.00 C ATOM 0 H ILE A 552 67.158 0.328 -17.145 1.00 0.00 H new ATOM 0 HA ILE A 552 65.206 2.099 -18.163 1.00 0.00 H new ATOM 0 HB ILE A 552 64.988 0.131 -15.843 1.00 0.00 H new ATOM 0 HG12 ILE A 552 64.490 -0.350 -18.825 1.00 0.00 H new ATOM 0 HG13 ILE A 552 65.980 -0.803 -18.021 1.00 0.00 H new ATOM 0 HG21 ILE A 552 62.607 0.001 -16.560 1.00 0.00 H new ATOM 0 HG22 ILE A 552 63.046 1.663 -16.100 1.00 0.00 H new ATOM 0 HG23 ILE A 552 62.921 1.218 -17.819 1.00 0.00 H new ATOM 0 HD11 ILE A 552 64.414 -2.722 -18.110 1.00 0.00 H new ATOM 0 HD12 ILE A 552 64.700 -2.229 -16.424 1.00 0.00 H new ATOM 0 HD13 ILE A 552 63.188 -1.770 -17.241 1.00 0.00 H new ATOM 512 N LEU A 553 66.082 2.569 -14.999 1.00 0.00 N ATOM 513 CA LEU A 553 66.034 3.537 -13.897 1.00 0.00 C ATOM 514 C LEU A 553 66.567 4.900 -14.342 1.00 0.00 C ATOM 515 O LEU A 553 65.940 5.934 -14.097 1.00 0.00 O ATOM 516 CB LEU A 553 66.861 3.026 -12.714 1.00 0.00 C ATOM 517 CG LEU A 553 66.271 1.711 -12.200 1.00 0.00 C ATOM 518 CD1 LEU A 553 67.232 1.080 -11.192 1.00 0.00 C ATOM 519 CD2 LEU A 553 64.929 1.984 -11.514 1.00 0.00 C ATOM 0 H LEU A 553 66.652 1.744 -14.812 1.00 0.00 H new ATOM 0 HA LEU A 553 64.994 3.653 -13.593 1.00 0.00 H new ATOM 0 HB2 LEU A 553 67.896 2.876 -13.020 1.00 0.00 H new ATOM 0 HB3 LEU A 553 66.869 3.768 -11.916 1.00 0.00 H new ATOM 0 HG LEU A 553 66.121 1.031 -13.039 1.00 0.00 H new ATOM 0 HD11 LEU A 553 66.812 0.143 -10.826 1.00 0.00 H new ATOM 0 HD12 LEU A 553 68.189 0.884 -11.675 1.00 0.00 H new ATOM 0 HD13 LEU A 553 67.381 1.762 -10.355 1.00 0.00 H new ATOM 0 HD21 LEU A 553 64.510 1.047 -11.148 1.00 0.00 H new ATOM 0 HD22 LEU A 553 65.080 2.665 -10.676 1.00 0.00 H new ATOM 0 HD23 LEU A 553 64.240 2.435 -12.228 1.00 0.00 H new ATOM 531 N GLN A 554 67.699 4.890 -15.047 1.00 0.00 N ATOM 532 CA GLN A 554 68.282 6.130 -15.565 1.00 0.00 C ATOM 533 C GLN A 554 67.272 6.874 -16.440 1.00 0.00 C ATOM 534 O GLN A 554 66.950 8.035 -16.182 1.00 0.00 O ATOM 535 CB GLN A 554 69.539 5.817 -16.383 1.00 0.00 C ATOM 536 CG GLN A 554 70.316 7.109 -16.645 1.00 0.00 C ATOM 537 CD GLN A 554 71.517 6.823 -17.540 1.00 0.00 C ATOM 538 OE1 GLN A 554 71.353 6.393 -18.682 1.00 0.00 O ATOM 539 NE2 GLN A 554 72.722 7.038 -17.088 1.00 0.00 N ATOM 0 H GLN A 554 68.227 4.046 -15.271 1.00 0.00 H new ATOM 0 HA GLN A 554 68.549 6.764 -14.720 1.00 0.00 H new ATOM 0 HB2 GLN A 554 70.167 5.106 -15.846 1.00 0.00 H new ATOM 0 HB3 GLN A 554 69.263 5.349 -17.328 1.00 0.00 H new ATOM 0 HG2 GLN A 554 69.666 7.844 -17.119 1.00 0.00 H new ATOM 0 HG3 GLN A 554 70.650 7.540 -15.701 1.00 0.00 H new ATOM 0 HE21 GLN A 554 72.856 7.394 -16.142 1.00 0.00 H new ATOM 0 HE22 GLN A 554 73.530 6.850 -17.681 1.00 0.00 H new ATOM 548 N GLN A 555 66.668 6.152 -17.382 1.00 0.00 N ATOM 549 CA GLN A 555 65.715 6.755 -18.316 1.00 0.00 C ATOM 550 C GLN A 555 64.520 7.356 -17.574 1.00 0.00 C ATOM 551 O GLN A 555 64.002 8.402 -17.966 1.00 0.00 O ATOM 552 CB GLN A 555 65.222 5.698 -19.307 1.00 0.00 C ATOM 553 CG GLN A 555 66.372 5.289 -20.229 1.00 0.00 C ATOM 554 CD GLN A 555 65.909 4.209 -21.203 1.00 0.00 C ATOM 555 OE1 GLN A 555 65.075 3.373 -20.855 1.00 0.00 O ATOM 556 NE2 GLN A 555 66.406 4.176 -22.410 1.00 0.00 N ATOM 0 H GLN A 555 66.820 5.153 -17.520 1.00 0.00 H new ATOM 0 HA GLN A 555 66.225 7.555 -18.852 1.00 0.00 H new ATOM 0 HB2 GLN A 555 64.845 4.828 -18.770 1.00 0.00 H new ATOM 0 HB3 GLN A 555 64.393 6.093 -19.895 1.00 0.00 H new ATOM 0 HG2 GLN A 555 66.731 6.157 -20.781 1.00 0.00 H new ATOM 0 HG3 GLN A 555 67.209 4.920 -19.636 1.00 0.00 H new ATOM 0 HE21 GLN A 555 67.097 4.870 -22.696 1.00 0.00 H new ATOM 0 HE22 GLN A 555 66.103 3.457 -23.067 1.00 0.00 H new ATOM 565 N ALA A 556 64.090 6.689 -16.500 1.00 0.00 N ATOM 566 CA ALA A 556 62.955 7.165 -15.707 1.00 0.00 C ATOM 567 C ALA A 556 63.244 8.531 -15.091 1.00 0.00 C ATOM 568 O ALA A 556 62.341 9.358 -14.955 1.00 0.00 O ATOM 569 CB ALA A 556 62.636 6.163 -14.595 1.00 0.00 C ATOM 0 H ALA A 556 64.508 5.823 -16.161 1.00 0.00 H new ATOM 0 HA ALA A 556 62.098 7.261 -16.374 1.00 0.00 H new ATOM 0 HB1 ALA A 556 61.790 6.525 -14.010 1.00 0.00 H new ATOM 0 HB2 ALA A 556 62.386 5.198 -15.036 1.00 0.00 H new ATOM 0 HB3 ALA A 556 63.505 6.051 -13.946 1.00 0.00 H new ATOM 575 N GLN A 557 64.503 8.763 -14.718 1.00 0.00 N ATOM 576 CA GLN A 557 64.902 10.057 -14.167 1.00 0.00 C ATOM 577 C GLN A 557 64.804 11.136 -15.241 1.00 0.00 C ATOM 578 O GLN A 557 64.332 12.245 -14.984 1.00 0.00 O ATOM 579 CB GLN A 557 66.340 9.983 -13.647 1.00 0.00 C ATOM 580 CG GLN A 557 66.411 8.995 -12.481 1.00 0.00 C ATOM 581 CD GLN A 557 67.815 8.994 -11.884 1.00 0.00 C ATOM 582 OE1 GLN A 557 68.173 9.905 -11.137 1.00 0.00 O ATOM 583 NE2 GLN A 557 68.636 8.021 -12.170 1.00 0.00 N ATOM 0 H GLN A 557 65.257 8.079 -14.786 1.00 0.00 H new ATOM 0 HA GLN A 557 64.233 10.308 -13.344 1.00 0.00 H new ATOM 0 HB2 GLN A 557 67.011 9.668 -14.446 1.00 0.00 H new ATOM 0 HB3 GLN A 557 66.672 10.969 -13.323 1.00 0.00 H new ATOM 0 HG2 GLN A 557 65.682 9.267 -11.718 1.00 0.00 H new ATOM 0 HG3 GLN A 557 66.152 7.994 -12.825 1.00 0.00 H new ATOM 0 HE21 GLN A 557 68.338 7.267 -12.789 1.00 0.00 H new ATOM 0 HE22 GLN A 557 69.576 8.014 -11.775 1.00 0.00 H new ATOM 592 N GLN A 558 65.259 10.794 -16.446 1.00 0.00 N ATOM 593 CA GLN A 558 65.170 11.706 -17.583 1.00 0.00 C ATOM 594 C GLN A 558 63.716 11.907 -18.007 1.00 0.00 C ATOM 595 O GLN A 558 63.332 13.001 -18.425 1.00 0.00 O ATOM 596 CB GLN A 558 65.975 11.154 -18.762 1.00 0.00 C ATOM 597 CG GLN A 558 67.458 11.105 -18.388 1.00 0.00 C ATOM 598 CD GLN A 558 68.272 10.518 -19.538 1.00 0.00 C ATOM 599 OE1 GLN A 558 67.790 9.645 -20.261 1.00 0.00 O ATOM 600 NE2 GLN A 558 69.485 10.948 -19.752 1.00 0.00 N ATOM 0 H GLN A 558 65.691 9.895 -16.658 1.00 0.00 H new ATOM 0 HA GLN A 558 65.581 12.669 -17.279 1.00 0.00 H new ATOM 0 HB2 GLN A 558 65.621 10.156 -19.022 1.00 0.00 H new ATOM 0 HB3 GLN A 558 65.831 11.783 -19.641 1.00 0.00 H new ATOM 0 HG2 GLN A 558 67.815 12.108 -18.155 1.00 0.00 H new ATOM 0 HG3 GLN A 558 67.595 10.501 -17.491 1.00 0.00 H new ATOM 0 HE21 GLN A 558 69.883 11.671 -19.153 1.00 0.00 H new ATOM 0 HE22 GLN A 558 70.035 10.561 -20.519 1.00 0.00 H new ATOM 609 N ASN A 559 62.911 10.848 -17.897 1.00 0.00 N ATOM 610 CA ASN A 559 61.510 10.913 -18.306 1.00 0.00 C ATOM 611 C ASN A 559 60.715 9.760 -17.679 1.00 0.00 C ATOM 612 O ASN A 559 61.070 8.595 -17.860 1.00 0.00 O ATOM 613 CB ASN A 559 61.412 10.831 -19.831 1.00 0.00 C ATOM 614 CG ASN A 559 60.123 11.491 -20.309 1.00 0.00 C ATOM 615 OD1 ASN A 559 59.054 10.881 -20.249 1.00 0.00 O ATOM 616 ND2 ASN A 559 60.158 12.705 -20.783 1.00 0.00 N ATOM 0 H ASN A 559 63.204 9.942 -17.531 1.00 0.00 H new ATOM 0 HA ASN A 559 61.090 11.859 -17.963 1.00 0.00 H new ATOM 0 HB2 ASN A 559 62.272 11.323 -20.286 1.00 0.00 H new ATOM 0 HB3 ASN A 559 61.436 9.789 -20.149 1.00 0.00 H new ATOM 0 HD21 ASN A 559 59.299 13.152 -21.105 1.00 0.00 H new ATOM 0 HD22 ASN A 559 61.044 13.208 -20.832 1.00 0.00 H new ATOM 623 N PRO A 560 59.623 10.052 -16.998 1.00 0.00 N ATOM 624 CA PRO A 560 58.935 9.034 -16.141 1.00 0.00 C ATOM 625 C PRO A 560 58.283 7.910 -16.955 1.00 0.00 C ATOM 626 O PRO A 560 58.007 6.834 -16.422 1.00 0.00 O ATOM 627 CB PRO A 560 57.877 9.843 -15.388 1.00 0.00 C ATOM 628 CG PRO A 560 57.573 11.005 -16.268 1.00 0.00 C ATOM 629 CD PRO A 560 58.857 11.317 -17.037 1.00 0.00 C ATOM 0 HA PRO A 560 59.641 8.524 -15.485 1.00 0.00 H new ATOM 0 HB2 PRO A 560 56.984 9.246 -15.202 1.00 0.00 H new ATOM 0 HB3 PRO A 560 58.249 10.171 -14.418 1.00 0.00 H new ATOM 0 HG2 PRO A 560 56.758 10.770 -16.953 1.00 0.00 H new ATOM 0 HG3 PRO A 560 57.256 11.865 -15.678 1.00 0.00 H new ATOM 0 HD2 PRO A 560 58.643 11.621 -18.062 1.00 0.00 H new ATOM 0 HD3 PRO A 560 59.411 12.132 -16.572 1.00 0.00 H new ATOM 637 N ALA A 561 58.045 8.162 -18.242 1.00 0.00 N ATOM 638 CA ALA A 561 57.376 7.183 -19.101 1.00 0.00 C ATOM 639 C ALA A 561 58.258 5.953 -19.353 1.00 0.00 C ATOM 640 O ALA A 561 57.749 4.875 -19.668 1.00 0.00 O ATOM 641 CB ALA A 561 57.012 7.826 -20.441 1.00 0.00 C ATOM 0 H ALA A 561 58.303 9.030 -18.711 1.00 0.00 H new ATOM 0 HA ALA A 561 56.473 6.856 -18.585 1.00 0.00 H new ATOM 0 HB1 ALA A 561 56.515 7.091 -21.074 1.00 0.00 H new ATOM 0 HB2 ALA A 561 56.343 8.669 -20.270 1.00 0.00 H new ATOM 0 HB3 ALA A 561 57.919 8.176 -20.935 1.00 0.00 H new ATOM 647 N ALA A 562 59.573 6.107 -19.183 1.00 0.00 N ATOM 648 CA ALA A 562 60.517 5.085 -19.635 1.00 0.00 C ATOM 649 C ALA A 562 60.312 3.773 -18.878 1.00 0.00 C ATOM 650 O ALA A 562 60.100 2.719 -19.488 1.00 0.00 O ATOM 651 CB ALA A 562 61.953 5.571 -19.429 1.00 0.00 C ATOM 0 H ALA A 562 60.004 6.919 -18.741 1.00 0.00 H new ATOM 0 HA ALA A 562 60.337 4.907 -20.695 1.00 0.00 H new ATOM 0 HB1 ALA A 562 62.649 4.804 -19.768 1.00 0.00 H new ATOM 0 HB2 ALA A 562 62.113 6.485 -20.001 1.00 0.00 H new ATOM 0 HB3 ALA A 562 62.121 5.771 -18.371 1.00 0.00 H new ATOM 657 N LEU A 563 60.305 3.844 -17.549 1.00 0.00 N ATOM 658 CA LEU A 563 60.182 2.632 -16.747 1.00 0.00 C ATOM 659 C LEU A 563 58.785 2.023 -16.881 1.00 0.00 C ATOM 660 O LEU A 563 58.621 0.810 -16.765 1.00 0.00 O ATOM 661 CB LEU A 563 60.547 2.883 -15.267 1.00 0.00 C ATOM 662 CG LEU A 563 59.834 4.110 -14.672 1.00 0.00 C ATOM 663 CD1 LEU A 563 58.334 3.839 -14.498 1.00 0.00 C ATOM 664 CD2 LEU A 563 60.461 4.422 -13.309 1.00 0.00 C ATOM 0 H LEU A 563 60.381 4.709 -17.014 1.00 0.00 H new ATOM 0 HA LEU A 563 60.900 1.910 -17.136 1.00 0.00 H new ATOM 0 HB2 LEU A 563 60.291 2.001 -14.681 1.00 0.00 H new ATOM 0 HB3 LEU A 563 61.625 3.020 -15.182 1.00 0.00 H new ATOM 0 HG LEU A 563 59.950 4.956 -15.349 1.00 0.00 H new ATOM 0 HD11 LEU A 563 57.852 4.721 -14.076 1.00 0.00 H new ATOM 0 HD12 LEU A 563 57.890 3.612 -15.467 1.00 0.00 H new ATOM 0 HD13 LEU A 563 58.193 2.992 -13.827 1.00 0.00 H new ATOM 0 HD21 LEU A 563 59.968 5.290 -12.872 1.00 0.00 H new ATOM 0 HD22 LEU A 563 60.340 3.564 -12.648 1.00 0.00 H new ATOM 0 HD23 LEU A 563 61.522 4.634 -13.437 1.00 0.00 H new ATOM 676 N GLN A 564 57.777 2.867 -17.144 1.00 0.00 N ATOM 677 CA GLN A 564 56.399 2.383 -17.283 1.00 0.00 C ATOM 678 C GLN A 564 56.295 1.360 -18.413 1.00 0.00 C ATOM 679 O GLN A 564 55.948 0.201 -18.176 1.00 0.00 O ATOM 680 CB GLN A 564 55.454 3.551 -17.579 1.00 0.00 C ATOM 681 CG GLN A 564 55.533 4.584 -16.453 1.00 0.00 C ATOM 682 CD GLN A 564 54.351 5.543 -16.542 1.00 0.00 C ATOM 683 OE1 GLN A 564 54.125 6.157 -17.584 1.00 0.00 O ATOM 684 NE2 GLN A 564 53.578 5.709 -15.504 1.00 0.00 N ATOM 0 H GLN A 564 57.888 3.874 -17.263 1.00 0.00 H new ATOM 0 HA GLN A 564 56.114 1.909 -16.344 1.00 0.00 H new ATOM 0 HB2 GLN A 564 55.721 4.014 -18.529 1.00 0.00 H new ATOM 0 HB3 GLN A 564 54.432 3.187 -17.679 1.00 0.00 H new ATOM 0 HG2 GLN A 564 55.532 4.081 -15.486 1.00 0.00 H new ATOM 0 HG3 GLN A 564 56.468 5.139 -16.522 1.00 0.00 H new ATOM 0 HE21 GLN A 564 53.767 5.199 -14.641 1.00 0.00 H new ATOM 0 HE22 GLN A 564 52.785 6.348 -15.556 1.00 0.00 H new ATOM 693 N GLU A 565 56.767 1.740 -19.600 1.00 0.00 N ATOM 694 CA GLU A 565 56.693 0.852 -20.765 1.00 0.00 C ATOM 695 C GLU A 565 57.507 -0.423 -20.531 1.00 0.00 C ATOM 696 O GLU A 565 57.203 -1.476 -21.093 1.00 0.00 O ATOM 697 CB GLU A 565 57.204 1.574 -22.017 1.00 0.00 C ATOM 698 CG GLU A 565 58.626 2.095 -21.790 1.00 0.00 C ATOM 699 CD GLU A 565 59.271 2.448 -23.126 1.00 0.00 C ATOM 700 OE1 GLU A 565 59.133 3.584 -23.546 1.00 0.00 O ATOM 701 OE2 GLU A 565 59.895 1.576 -23.709 1.00 0.00 O ATOM 0 H GLU A 565 57.200 2.645 -19.782 1.00 0.00 H new ATOM 0 HA GLU A 565 55.649 0.575 -20.914 1.00 0.00 H new ATOM 0 HB2 GLU A 565 57.191 0.893 -22.868 1.00 0.00 H new ATOM 0 HB3 GLU A 565 56.541 2.404 -22.262 1.00 0.00 H new ATOM 0 HG2 GLU A 565 58.602 2.973 -21.145 1.00 0.00 H new ATOM 0 HG3 GLU A 565 59.222 1.340 -21.277 1.00 0.00 H new ATOM 708 N HIS A 566 58.544 -0.315 -19.700 1.00 0.00 N ATOM 709 CA HIS A 566 59.346 -1.478 -19.329 1.00 0.00 C ATOM 710 C HIS A 566 58.533 -2.455 -18.478 1.00 0.00 C ATOM 711 O HIS A 566 58.531 -3.657 -18.739 1.00 0.00 O ATOM 712 CB HIS A 566 60.589 -1.029 -18.560 1.00 0.00 C ATOM 713 CG HIS A 566 61.709 -0.593 -19.466 1.00 0.00 C ATOM 714 ND1 HIS A 566 62.011 0.744 -19.676 1.00 0.00 N ATOM 715 CD2 HIS A 566 62.590 -1.303 -20.243 1.00 0.00 C ATOM 716 CE1 HIS A 566 63.032 0.796 -20.551 1.00 0.00 C ATOM 717 NE2 HIS A 566 63.424 -0.424 -20.929 1.00 0.00 N ATOM 0 H HIS A 566 58.846 0.561 -19.274 1.00 0.00 H new ATOM 0 HA HIS A 566 59.650 -1.990 -20.242 1.00 0.00 H new ATOM 0 HB2 HIS A 566 60.323 -0.206 -17.897 1.00 0.00 H new ATOM 0 HB3 HIS A 566 60.936 -1.847 -17.929 1.00 0.00 H new ATOM 0 HD1 HIS A 566 61.544 1.542 -19.246 1.00 0.00 H new ATOM 0 HD2 HIS A 566 62.630 -2.380 -20.312 1.00 0.00 H new ATOM 0 HE1 HIS A 566 63.480 1.713 -20.905 1.00 0.00 H new ATOM 725 N MET A 567 57.805 -1.928 -17.493 1.00 0.00 N ATOM 726 CA MET A 567 57.060 -2.771 -16.557 1.00 0.00 C ATOM 727 C MET A 567 55.975 -3.571 -17.279 1.00 0.00 C ATOM 728 O MET A 567 55.674 -4.702 -16.898 1.00 0.00 O ATOM 729 CB MET A 567 56.413 -1.902 -15.473 1.00 0.00 C ATOM 730 CG MET A 567 55.947 -2.787 -14.317 1.00 0.00 C ATOM 731 SD MET A 567 55.128 -1.766 -13.066 1.00 0.00 S ATOM 732 CE MET A 567 55.066 -3.015 -11.759 1.00 0.00 C ATOM 0 H MET A 567 57.715 -0.926 -17.323 1.00 0.00 H new ATOM 0 HA MET A 567 57.762 -3.470 -16.101 1.00 0.00 H new ATOM 0 HB2 MET A 567 57.127 -1.161 -15.112 1.00 0.00 H new ATOM 0 HB3 MET A 567 55.567 -1.354 -15.889 1.00 0.00 H new ATOM 0 HG2 MET A 567 55.262 -3.551 -14.684 1.00 0.00 H new ATOM 0 HG3 MET A 567 56.798 -3.307 -13.877 1.00 0.00 H new ATOM 0 HE1 MET A 567 54.292 -2.750 -11.039 1.00 0.00 H new ATOM 0 HE2 MET A 567 54.838 -3.987 -12.195 1.00 0.00 H new ATOM 0 HE3 MET A 567 56.031 -3.061 -11.254 1.00 0.00 H new ATOM 742 N LYS A 568 55.404 -2.982 -18.331 1.00 0.00 N ATOM 743 CA LYS A 568 54.345 -3.651 -19.089 1.00 0.00 C ATOM 744 C LYS A 568 54.903 -4.864 -19.836 1.00 0.00 C ATOM 745 O LYS A 568 54.211 -5.868 -20.007 1.00 0.00 O ATOM 746 CB LYS A 568 53.712 -2.677 -20.086 1.00 0.00 C ATOM 747 CG LYS A 568 53.119 -1.481 -19.336 1.00 0.00 C ATOM 748 CD LYS A 568 51.882 -1.927 -18.553 1.00 0.00 C ATOM 749 CE LYS A 568 51.181 -0.701 -17.964 1.00 0.00 C ATOM 750 NZ LYS A 568 52.082 -0.041 -16.977 1.00 0.00 N ATOM 0 H LYS A 568 55.653 -2.054 -18.675 1.00 0.00 H new ATOM 0 HA LYS A 568 53.583 -3.990 -18.387 1.00 0.00 H new ATOM 0 HB2 LYS A 568 54.461 -2.335 -20.800 1.00 0.00 H new ATOM 0 HB3 LYS A 568 52.933 -3.182 -20.658 1.00 0.00 H new ATOM 0 HG2 LYS A 568 53.860 -1.062 -18.656 1.00 0.00 H new ATOM 0 HG3 LYS A 568 52.851 -0.694 -20.041 1.00 0.00 H new ATOM 0 HD2 LYS A 568 51.200 -2.469 -19.208 1.00 0.00 H new ATOM 0 HD3 LYS A 568 52.171 -2.612 -17.756 1.00 0.00 H new ATOM 0 HE2 LYS A 568 50.919 -0.002 -18.758 1.00 0.00 H new ATOM 0 HE3 LYS A 568 50.250 -0.998 -17.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 568 51.540 0.650 -16.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 568 52.486 -0.758 -16.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 568 52.850 0.447 -17.480 1.00 0.00 H new ATOM 764 N ASN A 569 56.157 -4.759 -20.279 1.00 0.00 N ATOM 765 CA ASN A 569 56.825 -5.871 -20.956 1.00 0.00 C ATOM 766 C ASN A 569 57.056 -7.032 -19.979 1.00 0.00 C ATOM 767 O ASN A 569 57.487 -6.809 -18.846 1.00 0.00 O ATOM 768 CB ASN A 569 58.172 -5.395 -21.522 1.00 0.00 C ATOM 769 CG ASN A 569 58.530 -6.185 -22.776 1.00 0.00 C ATOM 770 OD1 ASN A 569 57.903 -6.010 -23.821 1.00 0.00 O ATOM 771 ND2 ASN A 569 59.509 -7.047 -22.736 1.00 0.00 N ATOM 0 H ASN A 569 56.728 -3.919 -20.182 1.00 0.00 H new ATOM 0 HA ASN A 569 56.190 -6.220 -21.770 1.00 0.00 H new ATOM 0 HB2 ASN A 569 58.120 -4.332 -21.757 1.00 0.00 H new ATOM 0 HB3 ASN A 569 58.953 -5.518 -20.772 1.00 0.00 H new ATOM 0 HD21 ASN A 569 59.756 -7.577 -23.572 1.00 0.00 H new ATOM 0 HD22 ASN A 569 60.027 -7.190 -21.869 1.00 0.00 H new ATOM 778 N PRO A 570 56.792 -8.259 -20.388 1.00 0.00 N ATOM 779 CA PRO A 570 56.767 -9.416 -19.438 1.00 0.00 C ATOM 780 C PRO A 570 58.151 -9.741 -18.874 1.00 0.00 C ATOM 781 O PRO A 570 58.296 -9.990 -17.675 1.00 0.00 O ATOM 782 CB PRO A 570 56.229 -10.578 -20.277 1.00 0.00 C ATOM 783 CG PRO A 570 56.549 -10.230 -21.689 1.00 0.00 C ATOM 784 CD PRO A 570 56.536 -8.706 -21.775 1.00 0.00 C ATOM 0 HA PRO A 570 56.154 -9.202 -18.563 1.00 0.00 H new ATOM 0 HB2 PRO A 570 56.697 -11.520 -19.989 1.00 0.00 H new ATOM 0 HB3 PRO A 570 55.155 -10.699 -20.136 1.00 0.00 H new ATOM 0 HG2 PRO A 570 57.524 -10.626 -21.975 1.00 0.00 H new ATOM 0 HG3 PRO A 570 55.817 -10.663 -22.370 1.00 0.00 H new ATOM 0 HD2 PRO A 570 57.302 -8.340 -22.459 1.00 0.00 H new ATOM 0 HD3 PRO A 570 55.578 -8.336 -22.142 1.00 0.00 H new ATOM 792 N GLU A 571 59.174 -9.684 -19.729 1.00 0.00 N ATOM 793 CA GLU A 571 60.523 -10.066 -19.316 1.00 0.00 C ATOM 794 C GLU A 571 61.063 -9.052 -18.314 1.00 0.00 C ATOM 795 O GLU A 571 61.595 -9.417 -17.259 1.00 0.00 O ATOM 796 CB GLU A 571 61.448 -10.138 -20.534 1.00 0.00 C ATOM 797 CG GLU A 571 62.765 -10.810 -20.141 1.00 0.00 C ATOM 798 CD GLU A 571 63.741 -10.771 -21.313 1.00 0.00 C ATOM 799 OE1 GLU A 571 63.456 -11.405 -22.316 1.00 0.00 O ATOM 800 OE2 GLU A 571 64.757 -10.108 -21.189 1.00 0.00 O ATOM 0 H GLU A 571 59.095 -9.381 -20.700 1.00 0.00 H new ATOM 0 HA GLU A 571 60.483 -11.049 -18.846 1.00 0.00 H new ATOM 0 HB2 GLU A 571 60.967 -10.699 -21.335 1.00 0.00 H new ATOM 0 HB3 GLU A 571 61.640 -9.136 -20.917 1.00 0.00 H new ATOM 0 HG2 GLU A 571 63.199 -10.303 -19.279 1.00 0.00 H new ATOM 0 HG3 GLU A 571 62.581 -11.843 -19.844 1.00 0.00 H new ATOM 807 N VAL A 572 60.830 -7.776 -18.600 1.00 0.00 N ATOM 808 CA VAL A 572 61.250 -6.720 -17.692 1.00 0.00 C ATOM 809 C VAL A 572 60.356 -6.721 -16.453 1.00 0.00 C ATOM 810 O VAL A 572 60.826 -6.465 -15.353 1.00 0.00 O ATOM 811 CB VAL A 572 61.195 -5.356 -18.395 1.00 0.00 C ATOM 812 CG1 VAL A 572 61.670 -4.250 -17.443 1.00 0.00 C ATOM 813 CG2 VAL A 572 62.108 -5.380 -19.624 1.00 0.00 C ATOM 0 H VAL A 572 60.358 -7.452 -19.444 1.00 0.00 H new ATOM 0 HA VAL A 572 62.280 -6.903 -17.385 1.00 0.00 H new ATOM 0 HB VAL A 572 60.167 -5.156 -18.696 1.00 0.00 H new ATOM 0 HG11 VAL A 572 61.626 -3.288 -17.953 1.00 0.00 H new ATOM 0 HG12 VAL A 572 61.025 -4.225 -16.564 1.00 0.00 H new ATOM 0 HG13 VAL A 572 62.696 -4.451 -17.135 1.00 0.00 H new ATOM 0 HG21 VAL A 572 62.070 -4.412 -20.124 1.00 0.00 H new ATOM 0 HG22 VAL A 572 63.132 -5.588 -19.313 1.00 0.00 H new ATOM 0 HG23 VAL A 572 61.773 -6.157 -20.311 1.00 0.00 H new ATOM 823 N PHE A 573 59.079 -7.081 -16.626 1.00 0.00 N ATOM 824 CA PHE A 573 58.132 -7.096 -15.505 1.00 0.00 C ATOM 825 C PHE A 573 58.672 -7.937 -14.344 1.00 0.00 C ATOM 826 O PHE A 573 58.688 -7.484 -13.199 1.00 0.00 O ATOM 827 CB PHE A 573 56.786 -7.665 -15.975 1.00 0.00 C ATOM 828 CG PHE A 573 55.723 -7.710 -14.897 1.00 0.00 C ATOM 829 CD1 PHE A 573 55.151 -6.507 -14.413 1.00 0.00 C ATOM 830 CD2 PHE A 573 55.295 -8.956 -14.378 1.00 0.00 C ATOM 831 CE1 PHE A 573 54.153 -6.552 -13.408 1.00 0.00 C ATOM 832 CE2 PHE A 573 54.298 -9.000 -13.373 1.00 0.00 C ATOM 833 CZ PHE A 573 53.727 -7.798 -12.889 1.00 0.00 C ATOM 0 H PHE A 573 58.680 -7.363 -17.522 1.00 0.00 H new ATOM 0 HA PHE A 573 57.996 -6.073 -15.154 1.00 0.00 H new ATOM 0 HB2 PHE A 573 56.420 -7.063 -16.806 1.00 0.00 H new ATOM 0 HB3 PHE A 573 56.944 -8.674 -16.357 1.00 0.00 H new ATOM 0 HD1 PHE A 573 55.476 -5.556 -14.810 1.00 0.00 H new ATOM 0 HD2 PHE A 573 55.729 -9.873 -14.749 1.00 0.00 H new ATOM 0 HE1 PHE A 573 53.717 -5.636 -13.038 1.00 0.00 H new ATOM 0 HE2 PHE A 573 53.973 -9.950 -12.976 1.00 0.00 H new ATOM 0 HZ PHE A 573 52.966 -7.832 -12.123 1.00 0.00 H new ATOM 843 N LYS A 574 59.171 -9.133 -14.658 1.00 0.00 N ATOM 844 CA LYS A 574 59.767 -10.001 -13.639 1.00 0.00 C ATOM 845 C LYS A 574 60.971 -9.319 -12.978 1.00 0.00 C ATOM 846 O LYS A 574 61.066 -9.260 -11.752 1.00 0.00 O ATOM 847 CB LYS A 574 60.217 -11.318 -14.278 1.00 0.00 C ATOM 848 CG LYS A 574 60.536 -12.339 -13.182 1.00 0.00 C ATOM 849 CD LYS A 574 60.829 -13.700 -13.819 1.00 0.00 C ATOM 850 CE LYS A 574 62.195 -13.661 -14.507 1.00 0.00 C ATOM 851 NZ LYS A 574 63.269 -13.552 -13.478 1.00 0.00 N ATOM 0 H LYS A 574 59.175 -9.521 -15.601 1.00 0.00 H new ATOM 0 HA LYS A 574 59.014 -10.199 -12.876 1.00 0.00 H new ATOM 0 HB2 LYS A 574 59.434 -11.703 -14.931 1.00 0.00 H new ATOM 0 HB3 LYS A 574 61.096 -11.150 -14.900 1.00 0.00 H new ATOM 0 HG2 LYS A 574 61.395 -12.006 -12.599 1.00 0.00 H new ATOM 0 HG3 LYS A 574 59.696 -12.422 -12.492 1.00 0.00 H new ATOM 0 HD2 LYS A 574 60.816 -14.480 -13.057 1.00 0.00 H new ATOM 0 HD3 LYS A 574 60.053 -13.949 -14.543 1.00 0.00 H new ATOM 0 HE2 LYS A 574 62.339 -14.562 -15.104 1.00 0.00 H new ATOM 0 HE3 LYS A 574 62.245 -12.814 -15.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 574 64.156 -13.939 -13.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 574 63.408 -12.553 -13.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 574 62.994 -14.088 -12.631 1.00 0.00 H new ATOM 865 N LYS A 575 61.852 -8.753 -13.803 1.00 0.00 N ATOM 866 CA LYS A 575 63.092 -8.151 -13.301 1.00 0.00 C ATOM 867 C LYS A 575 62.807 -6.939 -12.406 1.00 0.00 C ATOM 868 O LYS A 575 63.284 -6.864 -11.268 1.00 0.00 O ATOM 869 CB LYS A 575 63.967 -7.722 -14.478 1.00 0.00 C ATOM 870 CG LYS A 575 64.631 -8.953 -15.098 1.00 0.00 C ATOM 871 CD LYS A 575 65.578 -8.514 -16.217 1.00 0.00 C ATOM 872 CE LYS A 575 66.156 -9.750 -16.910 1.00 0.00 C ATOM 873 NZ LYS A 575 66.864 -9.337 -18.154 1.00 0.00 N ATOM 0 H LYS A 575 61.734 -8.698 -14.815 1.00 0.00 H new ATOM 0 HA LYS A 575 63.611 -8.899 -12.702 1.00 0.00 H new ATOM 0 HB2 LYS A 575 63.363 -7.207 -15.225 1.00 0.00 H new ATOM 0 HB3 LYS A 575 64.727 -7.017 -14.141 1.00 0.00 H new ATOM 0 HG2 LYS A 575 65.182 -9.504 -14.336 1.00 0.00 H new ATOM 0 HG3 LYS A 575 63.872 -9.628 -15.493 1.00 0.00 H new ATOM 0 HD2 LYS A 575 65.044 -7.896 -16.938 1.00 0.00 H new ATOM 0 HD3 LYS A 575 66.383 -7.903 -15.808 1.00 0.00 H new ATOM 0 HE2 LYS A 575 66.845 -10.266 -16.241 1.00 0.00 H new ATOM 0 HE3 LYS A 575 65.358 -10.452 -17.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 575 66.602 -9.976 -18.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 575 66.594 -8.363 -18.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 575 67.892 -9.383 -18.000 1.00 0.00 H new ATOM 887 N ILE A 576 62.000 -6.008 -12.914 1.00 0.00 N ATOM 888 CA ILE A 576 61.684 -4.774 -12.182 1.00 0.00 C ATOM 889 C ILE A 576 61.079 -5.112 -10.807 1.00 0.00 C ATOM 890 O ILE A 576 61.544 -4.623 -9.774 1.00 0.00 O ATOM 891 CB ILE A 576 60.693 -3.912 -12.998 1.00 0.00 C ATOM 892 CG1 ILE A 576 61.279 -3.599 -14.395 1.00 0.00 C ATOM 893 CG2 ILE A 576 60.383 -2.603 -12.253 1.00 0.00 C ATOM 894 CD1 ILE A 576 62.444 -2.606 -14.310 1.00 0.00 C ATOM 0 H ILE A 576 61.552 -6.081 -13.827 1.00 0.00 H new ATOM 0 HA ILE A 576 62.604 -4.210 -12.033 1.00 0.00 H new ATOM 0 HB ILE A 576 59.767 -4.474 -13.122 1.00 0.00 H new ATOM 0 HG12 ILE A 576 61.621 -4.523 -14.862 1.00 0.00 H new ATOM 0 HG13 ILE A 576 60.497 -3.189 -15.034 1.00 0.00 H new ATOM 0 HG21 ILE A 576 59.684 -2.007 -12.840 1.00 0.00 H new ATOM 0 HG22 ILE A 576 59.940 -2.832 -11.284 1.00 0.00 H new ATOM 0 HG23 ILE A 576 61.305 -2.041 -12.106 1.00 0.00 H new ATOM 0 HD11 ILE A 576 62.829 -2.411 -15.311 1.00 0.00 H new ATOM 0 HD12 ILE A 576 62.095 -1.673 -13.867 1.00 0.00 H new ATOM 0 HD13 ILE A 576 63.237 -3.027 -13.692 1.00 0.00 H new ATOM 906 N GLN A 577 60.083 -5.999 -10.802 1.00 0.00 N ATOM 907 CA GLN A 577 59.399 -6.377 -9.561 1.00 0.00 C ATOM 908 C GLN A 577 60.375 -6.954 -8.532 1.00 0.00 C ATOM 909 O GLN A 577 60.273 -6.659 -7.344 1.00 0.00 O ATOM 910 CB GLN A 577 58.311 -7.413 -9.855 1.00 0.00 C ATOM 911 CG GLN A 577 57.143 -6.740 -10.578 1.00 0.00 C ATOM 912 CD GLN A 577 55.960 -7.699 -10.664 1.00 0.00 C ATOM 913 OE1 GLN A 577 54.831 -7.325 -10.343 1.00 0.00 O ATOM 914 NE2 GLN A 577 56.151 -8.923 -11.078 1.00 0.00 N ATOM 0 H GLN A 577 59.732 -6.468 -11.637 1.00 0.00 H new ATOM 0 HA GLN A 577 58.953 -5.474 -9.145 1.00 0.00 H new ATOM 0 HB2 GLN A 577 58.717 -8.217 -10.469 1.00 0.00 H new ATOM 0 HB3 GLN A 577 57.965 -7.865 -8.926 1.00 0.00 H new ATOM 0 HG2 GLN A 577 56.850 -5.834 -10.047 1.00 0.00 H new ATOM 0 HG3 GLN A 577 57.450 -6.438 -11.579 1.00 0.00 H new ATOM 0 HE21 GLN A 577 57.086 -9.231 -11.344 1.00 0.00 H new ATOM 0 HE22 GLN A 577 55.365 -9.570 -11.136 1.00 0.00 H new ATOM 923 N THR A 578 61.322 -7.771 -9.000 1.00 0.00 N ATOM 924 CA THR A 578 62.252 -8.459 -8.099 1.00 0.00 C ATOM 925 C THR A 578 63.002 -7.469 -7.203 1.00 0.00 C ATOM 926 O THR A 578 62.992 -7.608 -5.979 1.00 0.00 O ATOM 927 CB THR A 578 63.258 -9.282 -8.912 1.00 0.00 C ATOM 928 OG1 THR A 578 62.557 -10.079 -9.857 1.00 0.00 O ATOM 929 CG2 THR A 578 64.072 -10.194 -7.984 1.00 0.00 C ATOM 0 H THR A 578 61.465 -7.972 -9.990 1.00 0.00 H new ATOM 0 HA THR A 578 61.667 -9.120 -7.459 1.00 0.00 H new ATOM 0 HB THR A 578 63.937 -8.604 -9.428 1.00 0.00 H new ATOM 0 HG1 THR A 578 62.359 -9.544 -10.654 1.00 0.00 H new ATOM 0 HG21 THR A 578 64.782 -10.773 -8.574 1.00 0.00 H new ATOM 0 HG22 THR A 578 64.613 -9.586 -7.259 1.00 0.00 H new ATOM 0 HG23 THR A 578 63.399 -10.872 -7.459 1.00 0.00 H new ATOM 937 N LEU A 579 63.604 -6.442 -7.805 1.00 0.00 N ATOM 938 CA LEU A 579 64.413 -5.500 -7.024 1.00 0.00 C ATOM 939 C LEU A 579 63.542 -4.676 -6.074 1.00 0.00 C ATOM 940 O LEU A 579 63.987 -4.310 -4.986 1.00 0.00 O ATOM 941 CB LEU A 579 65.216 -4.557 -7.934 1.00 0.00 C ATOM 942 CG LEU A 579 66.156 -5.345 -8.874 1.00 0.00 C ATOM 943 CD1 LEU A 579 67.110 -4.367 -9.579 1.00 0.00 C ATOM 944 CD2 LEU A 579 66.991 -6.370 -8.087 1.00 0.00 C ATOM 0 H LEU A 579 63.551 -6.242 -8.804 1.00 0.00 H new ATOM 0 HA LEU A 579 65.112 -6.095 -6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 579 64.531 -3.951 -8.527 1.00 0.00 H new ATOM 0 HB3 LEU A 579 65.802 -3.871 -7.323 1.00 0.00 H new ATOM 0 HG LEU A 579 65.544 -5.875 -9.604 1.00 0.00 H new ATOM 0 HD11 LEU A 579 67.774 -4.921 -10.243 1.00 0.00 H new ATOM 0 HD12 LEU A 579 66.531 -3.650 -10.161 1.00 0.00 H new ATOM 0 HD13 LEU A 579 67.702 -3.836 -8.834 1.00 0.00 H new ATOM 0 HD21 LEU A 579 67.644 -6.911 -8.772 1.00 0.00 H new ATOM 0 HD22 LEU A 579 67.596 -5.852 -7.343 1.00 0.00 H new ATOM 0 HD23 LEU A 579 66.326 -7.075 -7.588 1.00 0.00 H new ATOM 956 N ILE A 580 62.306 -4.386 -6.487 1.00 0.00 N ATOM 957 CA ILE A 580 61.390 -3.612 -5.644 1.00 0.00 C ATOM 958 C ILE A 580 61.018 -4.408 -4.387 1.00 0.00 C ATOM 959 O ILE A 580 61.127 -3.904 -3.268 1.00 0.00 O ATOM 960 CB ILE A 580 60.121 -3.254 -6.436 1.00 0.00 C ATOM 961 CG1 ILE A 580 60.513 -2.466 -7.693 1.00 0.00 C ATOM 962 CG2 ILE A 580 59.192 -2.390 -5.575 1.00 0.00 C ATOM 963 CD1 ILE A 580 59.297 -2.322 -8.612 1.00 0.00 C ATOM 0 H ILE A 580 61.920 -4.670 -7.387 1.00 0.00 H new ATOM 0 HA ILE A 580 61.890 -2.693 -5.339 1.00 0.00 H new ATOM 0 HB ILE A 580 59.605 -4.172 -6.716 1.00 0.00 H new ATOM 0 HG12 ILE A 580 60.889 -1.482 -7.414 1.00 0.00 H new ATOM 0 HG13 ILE A 580 61.319 -2.978 -8.218 1.00 0.00 H new ATOM 0 HG21 ILE A 580 58.296 -2.141 -6.144 1.00 0.00 H new ATOM 0 HG22 ILE A 580 58.911 -2.941 -4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 580 59.708 -1.473 -5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 580 59.579 -1.762 -9.504 1.00 0.00 H new ATOM 0 HD12 ILE A 580 58.941 -3.311 -8.902 1.00 0.00 H new ATOM 0 HD13 ILE A 580 58.504 -1.791 -8.086 1.00 0.00 H new ATOM 975 N ALA A 581 60.580 -5.652 -4.585 1.00 0.00 N ATOM 976 CA ALA A 581 60.217 -6.530 -3.471 1.00 0.00 C ATOM 977 C ALA A 581 61.409 -6.763 -2.537 1.00 0.00 C ATOM 978 O ALA A 581 61.235 -6.973 -1.335 1.00 0.00 O ATOM 979 CB ALA A 581 59.724 -7.877 -4.005 1.00 0.00 C ATOM 0 H ALA A 581 60.468 -6.075 -5.506 1.00 0.00 H new ATOM 0 HA ALA A 581 59.423 -6.042 -2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 581 59.456 -8.524 -3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 581 58.850 -7.720 -4.637 1.00 0.00 H new ATOM 0 HB3 ALA A 581 60.514 -8.348 -4.589 1.00 0.00 H new ATOM 985 N ALA A 582 62.615 -6.725 -3.104 1.00 0.00 N ATOM 986 CA ALA A 582 63.835 -6.896 -2.319 1.00 0.00 C ATOM 987 C ALA A 582 64.173 -5.639 -1.500 1.00 0.00 C ATOM 988 O ALA A 582 65.122 -5.654 -0.715 1.00 0.00 O ATOM 989 CB ALA A 582 65.004 -7.230 -3.251 1.00 0.00 C ATOM 0 H ALA A 582 62.772 -6.578 -4.101 1.00 0.00 H new ATOM 0 HA ALA A 582 63.666 -7.714 -1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 582 65.913 -7.357 -2.663 1.00 0.00 H new ATOM 0 HB2 ALA A 582 64.788 -8.153 -3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 582 65.144 -6.418 -3.965 1.00 0.00 H new ATOM 995 N GLY A 583 63.405 -4.557 -1.681 1.00 0.00 N ATOM 996 CA GLY A 583 63.664 -3.314 -0.955 1.00 0.00 C ATOM 997 C GLY A 583 64.908 -2.596 -1.481 1.00 0.00 C ATOM 998 O GLY A 583 65.500 -1.777 -0.777 1.00 0.00 O ATOM 0 H GLY A 583 62.609 -4.520 -2.317 1.00 0.00 H new ATOM 0 HA2 GLY A 583 62.800 -2.655 -1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 583 63.792 -3.532 0.105 1.00 0.00 H new ATOM 1002 N ILE A 584 65.291 -2.893 -2.724 1.00 0.00 N ATOM 1003 CA ILE A 584 66.469 -2.267 -3.327 1.00 0.00 C ATOM 1004 C ILE A 584 66.090 -0.962 -4.027 1.00 0.00 C ATOM 1005 O ILE A 584 66.924 -0.066 -4.176 1.00 0.00 O ATOM 1006 CB ILE A 584 67.129 -3.212 -4.342 1.00 0.00 C ATOM 1007 CG1 ILE A 584 67.228 -4.628 -3.752 1.00 0.00 C ATOM 1008 CG2 ILE A 584 68.536 -2.695 -4.659 1.00 0.00 C ATOM 1009 CD1 ILE A 584 67.730 -5.612 -4.813 1.00 0.00 C ATOM 0 H ILE A 584 64.807 -3.557 -3.328 1.00 0.00 H new ATOM 0 HA ILE A 584 67.176 -2.052 -2.525 1.00 0.00 H new ATOM 0 HB ILE A 584 66.529 -3.246 -5.251 1.00 0.00 H new ATOM 0 HG12 ILE A 584 67.905 -4.627 -2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 584 66.252 -4.945 -3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 584 69.014 -3.359 -5.379 1.00 0.00 H new ATOM 0 HG22 ILE A 584 68.469 -1.692 -5.080 1.00 0.00 H new ATOM 0 HG23 ILE A 584 69.128 -2.666 -3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 584 67.795 -6.611 -4.381 1.00 0.00 H new ATOM 0 HD12 ILE A 584 67.037 -5.625 -5.654 1.00 0.00 H new ATOM 0 HD13 ILE A 584 68.716 -5.302 -5.160 1.00 0.00 H new ATOM 1021 N ILE A 585 64.827 -0.855 -4.450 1.00 0.00 N ATOM 1022 CA ILE A 585 64.358 0.326 -5.171 1.00 0.00 C ATOM 1023 C ILE A 585 63.174 0.941 -4.430 1.00 0.00 C ATOM 1024 O ILE A 585 62.292 0.224 -3.953 1.00 0.00 O ATOM 1025 CB ILE A 585 63.936 -0.059 -6.596 1.00 0.00 C ATOM 1026 CG1 ILE A 585 65.080 -0.805 -7.292 1.00 0.00 C ATOM 1027 CG2 ILE A 585 63.603 1.202 -7.397 1.00 0.00 C ATOM 1028 CD1 ILE A 585 64.578 -1.404 -8.608 1.00 0.00 C ATOM 0 H ILE A 585 64.115 -1.571 -4.305 1.00 0.00 H new ATOM 0 HA ILE A 585 65.167 1.054 -5.227 1.00 0.00 H new ATOM 0 HB ILE A 585 63.057 -0.702 -6.542 1.00 0.00 H new ATOM 0 HG12 ILE A 585 65.908 -0.123 -7.484 1.00 0.00 H new ATOM 0 HG13 ILE A 585 65.460 -1.594 -6.643 1.00 0.00 H new ATOM 0 HG21 ILE A 585 63.304 0.923 -8.407 1.00 0.00 H new ATOM 0 HG22 ILE A 585 62.786 1.736 -6.912 1.00 0.00 H new ATOM 0 HG23 ILE A 585 64.481 1.846 -7.443 1.00 0.00 H new ATOM 0 HD11 ILE A 585 65.393 -1.934 -9.101 1.00 0.00 H new ATOM 0 HD12 ILE A 585 63.764 -2.100 -8.404 1.00 0.00 H new ATOM 0 HD13 ILE A 585 64.219 -0.606 -9.258 1.00 0.00 H new ATOM 1040 N ARG A 586 63.158 2.269 -4.336 1.00 0.00 N ATOM 1041 CA ARG A 586 62.094 2.967 -3.617 1.00 0.00 C ATOM 1042 C ARG A 586 61.036 3.483 -4.588 1.00 0.00 C ATOM 1043 O ARG A 586 61.358 4.149 -5.573 1.00 0.00 O ATOM 1044 CB ARG A 586 62.680 4.140 -2.830 1.00 0.00 C ATOM 1045 CG ARG A 586 63.630 3.610 -1.754 1.00 0.00 C ATOM 1046 CD ARG A 586 64.124 4.771 -0.888 1.00 0.00 C ATOM 1047 NE ARG A 586 64.828 5.756 -1.712 1.00 0.00 N ATOM 1048 CZ ARG A 586 66.071 5.549 -2.171 1.00 0.00 C ATOM 1049 NH1 ARG A 586 66.724 4.443 -1.903 1.00 0.00 N ATOM 1050 NH2 ARG A 586 66.642 6.467 -2.902 1.00 0.00 N ATOM 0 H ARG A 586 63.865 2.880 -4.746 1.00 0.00 H new ATOM 0 HA ARG A 586 61.626 2.263 -2.929 1.00 0.00 H new ATOM 0 HB2 ARG A 586 63.214 4.812 -3.502 1.00 0.00 H new ATOM 0 HB3 ARG A 586 61.879 4.719 -2.370 1.00 0.00 H new ATOM 0 HG2 ARG A 586 63.119 2.873 -1.135 1.00 0.00 H new ATOM 0 HG3 ARG A 586 64.476 3.104 -2.219 1.00 0.00 H new ATOM 0 HD2 ARG A 586 63.280 5.244 -0.386 1.00 0.00 H new ATOM 0 HD3 ARG A 586 64.789 4.396 -0.110 1.00 0.00 H new ATOM 0 HE ARG A 586 64.356 6.630 -1.945 1.00 0.00 H new ATOM 0 HH11 ARG A 586 66.287 3.718 -1.334 1.00 0.00 H new ATOM 0 HH12 ARG A 586 67.669 4.308 -2.263 1.00 0.00 H new ATOM 0 HH21 ARG A 586 66.143 7.330 -3.118 1.00 0.00 H new ATOM 0 HH22 ARG A 586 67.587 6.321 -3.257 1.00 0.00 H new