USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 361 hydrogens (6 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 NoAdj-H: B 179 TPO H2 : B 179 TPO N : B 178 GLU C :(H bumps) USER MOD Set 1.1: A 385 ASN :FLIP amide:sc= -5.84! C(o=-9.5!,f=-8.7!) USER MOD Set 1.2: A 388 ASN : amide:sc= -2.64 K(o=-8.7,f=-16!) USER MOD Set 1.3: A 390 THR OG1 : rot -140:sc= -0.198 USER MOD Single : A 369 SER OG : rot 180:sc= 0.00772 USER MOD Single : A 375 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.109) USER MOD Single : A 378 LYS NZ :NH3+ -179:sc= 1.59 (180deg=1.58) USER MOD Single : A 381 THR OG1 : rot 21:sc= 1.14 USER MOD Single : A 382 TYR OH : rot 95:sc= 1.82 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 386 HIS : no HD1:sc= -5.55! C(o=-5.6!,f=-10!) USER MOD Single : A 387 ASN : amide:sc=-0.00333 X(o=-0.0033,f=0) USER MOD Single : A 391 THR OG1 : rot 102:sc= -1.89! USER MOD Single : A 392 THR OG1 : rot 150:sc= -0.964 USER MOD Single : A 394 THR OG1 : rot 180:sc= 0 USER MOD Single : A 398 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 399 GLN : amide:sc= -0.21 K(o=-0.21,f=-6.3!) USER MOD Single : B 184 TYR OH : rot 180:sc= -0.379 USER MOD Single : B 186 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 366 11.654 -3.380 -2.099 1.00 15.00 N ATOM 2 CA GLY A 366 11.717 -3.255 -0.657 1.00 15.00 C ATOM 3 C GLY A 366 10.349 -3.100 -0.027 1.00 15.00 C ATOM 4 O GLY A 366 9.792 -2.002 0.000 1.00 15.00 O ATOM 0 HA2 GLY A 366 12.207 -4.135 -0.241 1.00 15.00 H new ATOM 0 HA3 GLY A 366 12.333 -2.394 -0.397 1.00 15.00 H new ATOM 8 N LEU A 367 9.799 -4.194 0.470 1.00 15.00 N ATOM 9 CA LEU A 367 8.515 -4.150 1.152 1.00 15.00 C ATOM 10 C LEU A 367 8.746 -4.045 2.659 1.00 15.00 C ATOM 11 O LEU A 367 9.546 -4.798 3.220 1.00 15.00 O ATOM 12 CB LEU A 367 7.694 -5.405 0.843 1.00 15.00 C ATOM 13 CG LEU A 367 6.188 -5.260 1.076 1.00 15.00 C ATOM 14 CD1 LEU A 367 5.550 -4.472 -0.055 1.00 15.00 C ATOM 15 CD2 LEU A 367 5.526 -6.615 1.231 1.00 15.00 C ATOM 0 H LEU A 367 10.219 -5.122 0.415 1.00 15.00 H new ATOM 0 HA LEU A 367 7.961 -3.280 0.801 1.00 15.00 H new ATOM 0 HB2 LEU A 367 7.861 -5.685 -0.197 1.00 15.00 H new ATOM 0 HB3 LEU A 367 8.065 -6.225 1.457 1.00 15.00 H new ATOM 0 HG LEU A 367 6.039 -4.710 2.006 1.00 15.00 H new ATOM 0 HD11 LEU A 367 4.479 -4.378 0.126 1.00 15.00 H new ATOM 0 HD12 LEU A 367 5.998 -3.480 -0.105 1.00 15.00 H new ATOM 0 HD13 LEU A 367 5.714 -4.992 -0.999 1.00 15.00 H new ATOM 0 HD21 LEU A 367 4.457 -6.481 1.395 1.00 15.00 H new ATOM 0 HD22 LEU A 367 5.683 -7.202 0.326 1.00 15.00 H new ATOM 0 HD23 LEU A 367 5.961 -7.137 2.083 1.00 15.00 H new ATOM 27 N PRO A 368 8.050 -3.127 3.339 1.00 15.00 N ATOM 28 CA PRO A 368 8.183 -2.953 4.767 1.00 15.00 C ATOM 29 C PRO A 368 7.206 -3.839 5.530 1.00 15.00 C ATOM 30 O PRO A 368 6.004 -3.874 5.242 1.00 15.00 O ATOM 31 CB PRO A 368 7.808 -1.490 4.961 1.00 15.00 C ATOM 32 CG PRO A 368 6.762 -1.268 3.936 1.00 15.00 C ATOM 33 CD PRO A 368 7.169 -2.115 2.759 1.00 15.00 C ATOM 0 HA PRO A 368 9.176 -3.215 5.132 1.00 15.00 H new ATOM 0 HB2 PRO A 368 7.432 -1.301 5.967 1.00 15.00 H new ATOM 0 HB3 PRO A 368 8.664 -0.832 4.811 1.00 15.00 H new ATOM 0 HG2 PRO A 368 5.780 -1.559 4.308 1.00 15.00 H new ATOM 0 HG3 PRO A 368 6.700 -0.215 3.660 1.00 15.00 H new ATOM 0 HD2 PRO A 368 6.304 -2.569 2.276 1.00 15.00 H new ATOM 0 HD3 PRO A 368 7.684 -1.524 2.001 1.00 15.00 H new ATOM 41 N SER A 369 7.731 -4.540 6.498 1.00 15.00 N ATOM 42 CA SER A 369 6.945 -5.461 7.292 1.00 15.00 C ATOM 43 C SER A 369 5.979 -4.681 8.184 1.00 15.00 C ATOM 44 O SER A 369 6.408 -3.938 9.068 1.00 15.00 O ATOM 45 CB SER A 369 7.877 -6.301 8.156 1.00 15.00 C ATOM 46 OG SER A 369 9.025 -6.696 7.419 1.00 15.00 O ATOM 0 H SER A 369 8.715 -4.493 6.763 1.00 15.00 H new ATOM 0 HA SER A 369 6.372 -6.113 6.632 1.00 15.00 H new ATOM 0 HB2 SER A 369 8.181 -5.730 9.033 1.00 15.00 H new ATOM 0 HB3 SER A 369 7.349 -7.184 8.517 1.00 15.00 H new ATOM 0 HG SER A 369 9.612 -7.233 7.991 1.00 15.00 H new ATOM 52 N GLY A 370 4.681 -4.810 7.932 1.00 15.00 N ATOM 53 CA GLY A 370 3.714 -4.078 8.712 1.00 15.00 C ATOM 54 C GLY A 370 2.602 -3.547 7.847 1.00 15.00 C ATOM 55 O GLY A 370 1.580 -3.082 8.347 1.00 15.00 O ATOM 0 H GLY A 370 4.287 -5.407 7.204 1.00 15.00 H new ATOM 0 HA2 GLY A 370 3.299 -4.727 9.483 1.00 15.00 H new ATOM 0 HA3 GLY A 370 4.207 -3.251 9.223 1.00 15.00 H new ATOM 59 N TRP A 371 2.846 -3.516 6.544 1.00 15.00 N ATOM 60 CA TRP A 371 1.809 -3.270 5.578 1.00 15.00 C ATOM 61 C TRP A 371 1.536 -4.534 4.773 1.00 15.00 C ATOM 62 O TRP A 371 2.410 -5.393 4.661 1.00 15.00 O ATOM 63 CB TRP A 371 2.265 -2.193 4.617 1.00 15.00 C ATOM 64 CG TRP A 371 2.861 -0.968 5.249 1.00 15.00 C ATOM 65 CD1 TRP A 371 3.518 -0.849 6.432 1.00 15.00 C ATOM 66 CD2 TRP A 371 2.843 0.320 4.683 1.00 15.00 C ATOM 67 NE1 TRP A 371 3.928 0.443 6.614 1.00 15.00 N ATOM 68 CE2 TRP A 371 3.513 1.189 5.548 1.00 15.00 C ATOM 69 CE3 TRP A 371 2.312 0.796 3.521 1.00 15.00 C ATOM 70 CZ2 TRP A 371 3.664 2.546 5.267 1.00 15.00 C ATOM 71 CZ3 TRP A 371 2.442 2.143 3.222 1.00 15.00 C ATOM 72 CH2 TRP A 371 3.118 3.008 4.098 1.00 15.00 C ATOM 0 H TRP A 371 3.770 -3.662 6.137 1.00 15.00 H new ATOM 0 HA TRP A 371 0.906 -2.960 6.105 1.00 15.00 H new ATOM 0 HB2 TRP A 371 3.001 -2.625 3.939 1.00 15.00 H new ATOM 0 HB3 TRP A 371 1.412 -1.888 4.010 1.00 15.00 H new ATOM 0 HD1 TRP A 371 3.691 -1.657 7.127 1.00 15.00 H new ATOM 0 HE1 TRP A 371 4.456 0.792 7.414 1.00 15.00 H new ATOM 0 HE3 TRP A 371 1.797 0.132 2.842 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 4.189 3.205 5.942 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 2.020 2.531 2.307 1.00 15.00 H new ATOM 0 HH2 TRP A 371 3.209 4.054 3.846 1.00 15.00 H new ATOM 83 N GLU A 372 0.349 -4.642 4.186 1.00 15.00 N ATOM 84 CA GLU A 372 0.102 -5.714 3.239 1.00 15.00 C ATOM 85 C GLU A 372 0.221 -5.128 1.833 1.00 15.00 C ATOM 86 O GLU A 372 -0.110 -3.957 1.629 1.00 15.00 O ATOM 87 CB GLU A 372 -1.275 -6.393 3.453 1.00 15.00 C ATOM 88 CG GLU A 372 -1.641 -6.625 4.912 1.00 15.00 C ATOM 89 CD GLU A 372 -0.651 -7.502 5.650 1.00 15.00 C ATOM 90 OE1 GLU A 372 -0.631 -8.726 5.404 1.00 15.00 O ATOM 91 OE2 GLU A 372 0.091 -6.974 6.503 1.00 15.00 O1- ATOM 0 H GLU A 372 -0.439 -4.014 4.346 1.00 15.00 H new ATOM 0 HA GLU A 372 0.840 -6.502 3.389 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -2.046 -5.777 2.991 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.279 -7.351 2.933 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -1.710 -5.662 5.419 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.629 -7.083 4.962 1.00 15.00 H new ATOM 98 N GLU A 373 0.724 -5.903 0.876 1.00 15.00 N ATOM 99 CA GLU A 373 0.951 -5.373 -0.465 1.00 15.00 C ATOM 100 C GLU A 373 -0.077 -5.862 -1.469 1.00 15.00 C ATOM 101 O GLU A 373 -0.512 -7.017 -1.433 1.00 15.00 O ATOM 102 CB GLU A 373 2.330 -5.740 -0.990 1.00 15.00 C ATOM 103 CG GLU A 373 2.661 -7.222 -0.863 1.00 15.00 C ATOM 104 CD GLU A 373 3.671 -7.693 -1.893 1.00 15.00 C ATOM 105 OE1 GLU A 373 3.329 -7.724 -3.097 1.00 15.00 O1- ATOM 106 OE2 GLU A 373 4.801 -8.055 -1.506 1.00 15.00 O ATOM 0 H GLU A 373 0.978 -6.883 1.000 1.00 15.00 H new ATOM 0 HA GLU A 373 0.864 -4.291 -0.362 1.00 15.00 H new ATOM 0 HB2 GLU A 373 2.398 -5.450 -2.039 1.00 15.00 H new ATOM 0 HB3 GLU A 373 3.080 -5.162 -0.450 1.00 15.00 H new ATOM 0 HG2 GLU A 373 3.051 -7.418 0.136 1.00 15.00 H new ATOM 0 HG3 GLU A 373 1.745 -7.804 -0.967 1.00 15.00 H new ATOM 113 N ARG A 374 -0.373 -4.999 -2.427 1.00 15.00 N ATOM 114 CA ARG A 374 -1.324 -5.313 -3.484 1.00 15.00 C ATOM 115 C ARG A 374 -1.000 -4.584 -4.780 1.00 15.00 C ATOM 116 O ARG A 374 -0.904 -3.354 -4.815 1.00 15.00 O ATOM 117 CB ARG A 374 -2.764 -4.998 -3.073 1.00 15.00 C ATOM 118 CG ARG A 374 -3.462 -6.165 -2.403 1.00 15.00 C ATOM 119 CD ARG A 374 -4.927 -6.229 -2.796 1.00 15.00 C ATOM 120 NE ARG A 374 -5.754 -5.276 -2.072 1.00 15.00 N ATOM 121 CZ ARG A 374 -7.022 -5.018 -2.379 1.00 15.00 C ATOM 122 NH1 ARG A 374 -7.599 -5.638 -3.403 1.00 15.00 N1+ ATOM 123 NH2 ARG A 374 -7.712 -4.142 -1.669 1.00 15.00 N ATOM 0 H ARG A 374 0.035 -4.067 -2.495 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.235 -6.386 -3.654 1.00 15.00 H new ATOM 0 HB2 ARG A 374 -2.763 -4.145 -2.394 1.00 15.00 H new ATOM 0 HB3 ARG A 374 -3.331 -4.702 -3.956 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -2.967 -7.096 -2.681 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -3.377 -6.070 -1.320 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -5.019 -6.041 -3.866 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -5.302 -7.237 -2.616 1.00 15.00 H new ATOM 0 HE ARG A 374 -5.338 -4.778 -1.285 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -7.069 -6.313 -3.955 1.00 15.00 H new ATOM 0 HH12 ARG A 374 -8.572 -5.439 -3.637 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -7.272 -3.662 -0.884 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -8.684 -3.946 -1.906 1.00 15.00 H new ATOM 137 N LYS A 375 -0.834 -5.349 -5.845 1.00 15.00 N ATOM 138 CA LYS A 375 -0.728 -4.793 -7.182 1.00 15.00 C ATOM 139 C LYS A 375 -2.024 -5.073 -7.946 1.00 15.00 C ATOM 140 O LYS A 375 -2.289 -6.216 -8.322 1.00 15.00 O ATOM 141 CB LYS A 375 0.482 -5.393 -7.914 1.00 15.00 C ATOM 142 CG LYS A 375 0.622 -4.947 -9.362 1.00 15.00 C ATOM 143 CD LYS A 375 1.896 -5.496 -9.983 1.00 15.00 C ATOM 144 CE LYS A 375 1.984 -5.184 -11.470 1.00 15.00 C ATOM 145 NZ LYS A 375 0.973 -5.935 -12.263 1.00 15.00 N1+ ATOM 0 H LYS A 375 -0.769 -6.366 -5.808 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.579 -3.715 -7.120 1.00 15.00 H new ATOM 0 HB2 LYS A 375 1.389 -5.123 -7.374 1.00 15.00 H new ATOM 0 HB3 LYS A 375 0.406 -6.480 -7.887 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -0.241 -5.286 -9.935 1.00 15.00 H new ATOM 0 HG3 LYS A 375 0.630 -3.858 -9.411 1.00 15.00 H new ATOM 0 HD2 LYS A 375 2.761 -5.073 -9.472 1.00 15.00 H new ATOM 0 HD3 LYS A 375 1.936 -6.575 -9.836 1.00 15.00 H new ATOM 0 HE2 LYS A 375 1.842 -4.114 -11.624 1.00 15.00 H new ATOM 0 HE3 LYS A 375 2.982 -5.429 -11.832 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 1.186 -5.839 -13.276 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 1.000 -6.940 -11.997 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 0.026 -5.551 -12.070 1.00 15.00 H new ATOM 159 N ASP A 376 -2.849 -4.044 -8.139 1.00 15.00 N ATOM 160 CA ASP A 376 -4.156 -4.233 -8.765 1.00 15.00 C ATOM 161 C ASP A 376 -4.038 -4.071 -10.279 1.00 15.00 C ATOM 162 O ASP A 376 -3.356 -3.158 -10.762 1.00 15.00 O ATOM 163 CB ASP A 376 -5.170 -3.225 -8.206 1.00 15.00 C ATOM 164 CG ASP A 376 -6.607 -3.602 -8.531 1.00 15.00 C ATOM 165 OD1 ASP A 376 -7.004 -3.526 -9.715 1.00 15.00 O1- ATOM 166 OD2 ASP A 376 -7.350 -3.975 -7.601 1.00 15.00 O ATOM 0 H ASP A 376 -2.638 -3.082 -7.874 1.00 15.00 H new ATOM 0 HA ASP A 376 -4.507 -5.240 -8.540 1.00 15.00 H new ATOM 0 HB2 ASP A 376 -5.051 -3.157 -7.125 1.00 15.00 H new ATOM 0 HB3 ASP A 376 -4.956 -2.236 -8.613 1.00 15.00 H new ATOM 171 N ALA A 377 -4.747 -4.923 -11.021 1.00 15.00 N ATOM 172 CA ALA A 377 -4.609 -5.003 -12.471 1.00 15.00 C ATOM 173 C ALA A 377 -5.078 -3.732 -13.171 1.00 15.00 C ATOM 174 O ALA A 377 -4.872 -3.569 -14.375 1.00 15.00 O ATOM 175 CB ALA A 377 -5.376 -6.206 -12.993 1.00 15.00 C ATOM 0 H ALA A 377 -5.430 -5.574 -10.633 1.00 15.00 H new ATOM 0 HA ALA A 377 -3.548 -5.116 -12.695 1.00 15.00 H new ATOM 0 HB1 ALA A 377 -5.271 -6.263 -14.076 1.00 15.00 H new ATOM 0 HB2 ALA A 377 -4.978 -7.115 -12.542 1.00 15.00 H new ATOM 0 HB3 ALA A 377 -6.430 -6.105 -12.736 1.00 15.00 H new ATOM 181 N LYS A 378 -5.692 -2.826 -12.420 1.00 15.00 N ATOM 182 CA LYS A 378 -6.165 -1.570 -12.983 1.00 15.00 C ATOM 183 C LYS A 378 -5.008 -0.592 -13.210 1.00 15.00 C ATOM 184 O LYS A 378 -5.219 0.542 -13.638 1.00 15.00 O ATOM 185 CB LYS A 378 -7.234 -0.945 -12.081 1.00 15.00 C ATOM 186 CG LYS A 378 -6.761 -0.608 -10.672 1.00 15.00 C ATOM 187 CD LYS A 378 -7.918 -0.090 -9.841 1.00 15.00 C ATOM 188 CE LYS A 378 -7.469 0.488 -8.507 1.00 15.00 C ATOM 189 NZ LYS A 378 -8.407 1.547 -8.046 1.00 15.00 N1+ ATOM 0 H LYS A 378 -5.873 -2.938 -11.422 1.00 15.00 H new ATOM 0 HA LYS A 378 -6.613 -1.785 -13.953 1.00 15.00 H new ATOM 0 HB2 LYS A 378 -7.602 -0.034 -12.554 1.00 15.00 H new ATOM 0 HB3 LYS A 378 -8.078 -1.631 -12.012 1.00 15.00 H new ATOM 0 HG2 LYS A 378 -6.334 -1.494 -10.202 1.00 15.00 H new ATOM 0 HG3 LYS A 378 -5.971 0.141 -10.715 1.00 15.00 H new ATOM 0 HD2 LYS A 378 -8.450 0.677 -10.404 1.00 15.00 H new ATOM 0 HD3 LYS A 378 -8.624 -0.901 -9.662 1.00 15.00 H new ATOM 0 HE2 LYS A 378 -7.415 -0.306 -7.762 1.00 15.00 H new ATOM 0 HE3 LYS A 378 -6.466 0.902 -8.605 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 -8.072 1.939 -7.143 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 -8.451 2.305 -8.757 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 -9.355 1.139 -7.916 1.00 15.00 H new ATOM 203 N GLY A 379 -3.787 -1.046 -12.936 1.00 15.00 N ATOM 204 CA GLY A 379 -2.610 -0.232 -13.189 1.00 15.00 C ATOM 205 C GLY A 379 -2.233 0.624 -12.001 1.00 15.00 C ATOM 206 O GLY A 379 -1.559 1.644 -12.147 1.00 15.00 O ATOM 0 H GLY A 379 -3.592 -1.966 -12.542 1.00 15.00 H new ATOM 0 HA2 GLY A 379 -1.772 -0.880 -13.446 1.00 15.00 H new ATOM 0 HA3 GLY A 379 -2.794 0.409 -14.051 1.00 15.00 H new ATOM 210 N ARG A 380 -2.654 0.195 -10.822 1.00 15.00 N ATOM 211 CA ARG A 380 -2.397 0.941 -9.600 1.00 15.00 C ATOM 212 C ARG A 380 -2.067 -0.012 -8.448 1.00 15.00 C ATOM 213 O ARG A 380 -2.927 -0.765 -7.993 1.00 15.00 O ATOM 214 CB ARG A 380 -3.607 1.825 -9.249 1.00 15.00 C ATOM 215 CG ARG A 380 -3.560 3.230 -9.854 1.00 15.00 C ATOM 216 CD ARG A 380 -4.890 3.979 -9.685 1.00 15.00 C ATOM 217 NE ARG A 380 -5.921 3.506 -10.619 1.00 15.00 N ATOM 218 CZ ARG A 380 -5.829 3.547 -11.955 1.00 15.00 C ATOM 219 NH1 ARG A 380 -4.772 4.074 -12.559 1.00 15.00 N1+ ATOM 220 NH2 ARG A 380 -6.822 3.072 -12.689 1.00 15.00 N ATOM 0 H ARG A 380 -3.177 -0.670 -10.685 1.00 15.00 H new ATOM 0 HA ARG A 380 -1.535 1.588 -9.762 1.00 15.00 H new ATOM 0 HB2 ARG A 380 -4.516 1.327 -9.587 1.00 15.00 H new ATOM 0 HB3 ARG A 380 -3.676 1.912 -8.165 1.00 15.00 H new ATOM 0 HG2 ARG A 380 -2.761 3.801 -9.381 1.00 15.00 H new ATOM 0 HG3 ARG A 380 -3.317 3.159 -10.914 1.00 15.00 H new ATOM 0 HD2 ARG A 380 -5.246 3.856 -8.662 1.00 15.00 H new ATOM 0 HD3 ARG A 380 -4.726 5.045 -9.839 1.00 15.00 H new ATOM 0 HE ARG A 380 -6.774 3.116 -10.219 1.00 15.00 H new ATOM 0 HH11 ARG A 380 -4.007 4.459 -12.005 1.00 15.00 H new ATOM 0 HH12 ARG A 380 -4.724 4.094 -13.578 1.00 15.00 H new ATOM 0 HH21 ARG A 380 -7.648 2.679 -12.237 1.00 15.00 H new ATOM 0 HH22 ARG A 380 -6.762 3.099 -13.707 1.00 15.00 H new ATOM 234 N THR A 381 -0.813 0.005 -8.004 1.00 15.00 N ATOM 235 CA THR A 381 -0.374 -0.836 -6.894 1.00 15.00 C ATOM 236 C THR A 381 -0.215 0.015 -5.636 1.00 15.00 C ATOM 237 O THR A 381 0.230 1.159 -5.712 1.00 15.00 O ATOM 238 CB THR A 381 0.954 -1.568 -7.226 1.00 15.00 C ATOM 239 OG1 THR A 381 1.335 -2.440 -6.153 1.00 15.00 O ATOM 240 CG2 THR A 381 2.080 -0.583 -7.502 1.00 15.00 C ATOM 0 H THR A 381 -0.080 0.595 -8.398 1.00 15.00 H new ATOM 0 HA THR A 381 -1.133 -1.599 -6.721 1.00 15.00 H new ATOM 0 HB THR A 381 0.781 -2.157 -8.126 1.00 15.00 H new ATOM 0 HG1 THR A 381 0.548 -2.653 -5.609 1.00 15.00 H new ATOM 0 HG21 THR A 381 2.994 -1.130 -7.731 1.00 15.00 H new ATOM 0 HG22 THR A 381 1.812 0.047 -8.350 1.00 15.00 H new ATOM 0 HG23 THR A 381 2.241 0.041 -6.623 1.00 15.00 H new ATOM 248 N TYR A 382 -0.592 -0.535 -4.486 1.00 15.00 N ATOM 249 CA TYR A 382 -0.642 0.248 -3.260 1.00 15.00 C ATOM 250 C TYR A 382 -0.244 -0.581 -2.044 1.00 15.00 C ATOM 251 O TYR A 382 -0.438 -1.797 -2.014 1.00 15.00 O ATOM 252 CB TYR A 382 -2.043 0.830 -3.071 1.00 15.00 C ATOM 253 CG TYR A 382 -3.030 -0.082 -2.383 1.00 15.00 C ATOM 254 CD1 TYR A 382 -3.551 -1.211 -3.006 1.00 15.00 C ATOM 255 CD2 TYR A 382 -3.450 0.207 -1.101 1.00 15.00 C ATOM 256 CE1 TYR A 382 -4.463 -2.022 -2.354 1.00 15.00 C ATOM 257 CE2 TYR A 382 -4.358 -0.590 -0.448 1.00 15.00 C ATOM 258 CZ TYR A 382 -4.864 -1.701 -1.074 1.00 15.00 C ATOM 259 OH TYR A 382 -5.770 -2.496 -0.417 1.00 15.00 O ATOM 0 H TYR A 382 -0.865 -1.512 -4.379 1.00 15.00 H new ATOM 0 HA TYR A 382 0.078 1.061 -3.352 1.00 15.00 H new ATOM 0 HB2 TYR A 382 -1.962 1.752 -2.495 1.00 15.00 H new ATOM 0 HB3 TYR A 382 -2.442 1.100 -4.049 1.00 15.00 H new ATOM 0 HD1 TYR A 382 -3.240 -1.458 -4.010 1.00 15.00 H new ATOM 0 HD2 TYR A 382 -3.056 1.079 -0.600 1.00 15.00 H new ATOM 0 HE1 TYR A 382 -4.858 -2.900 -2.844 1.00 15.00 H new ATOM 0 HE2 TYR A 382 -4.673 -0.343 0.555 1.00 15.00 H new ATOM 0 HH TYR A 382 -5.292 -3.140 0.147 1.00 15.00 H new ATOM 269 N TYR A 383 0.323 0.088 -1.053 1.00 15.00 N ATOM 270 CA TYR A 383 0.716 -0.560 0.189 1.00 15.00 C ATOM 271 C TYR A 383 -0.174 -0.063 1.335 1.00 15.00 C ATOM 272 O TYR A 383 -0.416 1.141 1.461 1.00 15.00 O ATOM 273 CB TYR A 383 2.186 -0.260 0.486 1.00 15.00 C ATOM 274 CG TYR A 383 3.114 -0.510 -0.685 1.00 15.00 C ATOM 275 CD1 TYR A 383 3.426 -1.802 -1.094 1.00 15.00 C ATOM 276 CD2 TYR A 383 3.672 0.553 -1.386 1.00 15.00 C ATOM 277 CE1 TYR A 383 4.271 -2.023 -2.166 1.00 15.00 C ATOM 278 CE2 TYR A 383 4.516 0.336 -2.457 1.00 15.00 C ATOM 279 CZ TYR A 383 4.812 -0.952 -2.843 1.00 15.00 C ATOM 280 OH TYR A 383 5.654 -1.172 -3.907 1.00 15.00 O ATOM 0 H TYR A 383 0.523 1.088 -1.085 1.00 15.00 H new ATOM 0 HA TYR A 383 0.592 -1.639 0.091 1.00 15.00 H new ATOM 0 HB2 TYR A 383 2.279 0.781 0.794 1.00 15.00 H new ATOM 0 HB3 TYR A 383 2.508 -0.872 1.329 1.00 15.00 H new ATOM 0 HD1 TYR A 383 3.003 -2.644 -0.567 1.00 15.00 H new ATOM 0 HD2 TYR A 383 3.442 1.565 -1.088 1.00 15.00 H new ATOM 0 HE1 TYR A 383 4.506 -3.032 -2.472 1.00 15.00 H new ATOM 0 HE2 TYR A 383 4.942 1.173 -2.990 1.00 15.00 H new ATOM 0 HH TYR A 383 5.948 -0.312 -4.275 1.00 15.00 H new ATOM 290 N VAL A 384 -0.645 -0.982 2.177 1.00 15.00 N ATOM 291 CA VAL A 384 -1.596 -0.640 3.242 1.00 15.00 C ATOM 292 C VAL A 384 -0.946 -0.681 4.611 1.00 15.00 C ATOM 293 O VAL A 384 -0.610 -1.753 5.098 1.00 15.00 O ATOM 294 CB VAL A 384 -2.761 -1.634 3.289 1.00 15.00 C ATOM 295 CG1 VAL A 384 -4.078 -0.921 3.480 1.00 15.00 C ATOM 296 CG2 VAL A 384 -2.778 -2.498 2.060 1.00 15.00 C ATOM 0 H VAL A 384 -0.386 -1.968 2.145 1.00 15.00 H new ATOM 0 HA VAL A 384 -1.946 0.366 3.011 1.00 15.00 H new ATOM 0 HB VAL A 384 -2.614 -2.285 4.151 1.00 15.00 H new ATOM 0 HG11 VAL A 384 -4.886 -1.652 3.510 1.00 15.00 H new ATOM 0 HG12 VAL A 384 -4.058 -0.364 4.417 1.00 15.00 H new ATOM 0 HG13 VAL A 384 -4.242 -0.232 2.652 1.00 15.00 H new ATOM 0 HG21 VAL A 384 -3.614 -3.195 2.117 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -2.888 -1.871 1.176 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -1.844 -3.056 1.995 1.00 15.00 H new ATOM 306 N ASN A 385 -0.823 0.458 5.267 1.00 15.00 N ATOM 307 CA ASN A 385 -0.173 0.484 6.568 1.00 15.00 C ATOM 308 C ASN A 385 -1.180 0.279 7.702 1.00 15.00 C ATOM 309 O ASN A 385 -2.150 1.023 7.790 1.00 15.00 O ATOM 310 CB ASN A 385 0.527 1.815 6.818 1.00 15.00 C ATOM 311 CG ASN A 385 1.326 1.758 8.102 1.00 15.00 C ATOM 312 OD1 ASN A 385 1.800 0.563 8.433 1.00 15.00 O flip ATOM 313 ND2 ASN A 385 1.511 2.752 8.794 1.00 15.00 N flip ATOM 0 H ASN A 385 -1.156 1.361 4.931 1.00 15.00 H new ATOM 0 HA ASN A 385 0.554 -0.328 6.556 1.00 15.00 H new ATOM 0 HB2 ASN A 385 1.186 2.049 5.982 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -0.210 2.616 6.876 1.00 15.00 H new ATOM 0 HD21 ASN A 385 1.130 3.653 8.505 1.00 15.00 H new ATOM 0 HD22 ASN A 385 2.046 2.679 9.659 1.00 15.00 H new ATOM 320 N HIS A 386 -0.935 -0.689 8.599 1.00 15.00 N ATOM 321 CA HIS A 386 -1.865 -0.956 9.707 1.00 15.00 C ATOM 322 C HIS A 386 -1.532 -0.068 10.872 1.00 15.00 C ATOM 323 O HIS A 386 -2.317 0.112 11.795 1.00 15.00 O ATOM 324 CB HIS A 386 -1.823 -2.426 10.171 1.00 15.00 C ATOM 325 CG HIS A 386 -1.523 -3.352 9.059 1.00 15.00 C ATOM 326 ND1 HIS A 386 -1.771 -2.987 7.772 1.00 15.00 N ATOM 327 CD2 HIS A 386 -0.831 -4.508 9.000 1.00 15.00 C ATOM 328 CE1 HIS A 386 -1.234 -3.836 6.968 1.00 15.00 C ATOM 329 NE2 HIS A 386 -0.664 -4.790 7.672 1.00 15.00 N ATOM 0 H HIS A 386 -0.113 -1.292 8.580 1.00 15.00 H new ATOM 0 HA HIS A 386 -2.870 -0.750 9.338 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -1.068 -2.538 10.949 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -2.782 -2.693 10.616 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -0.479 -5.095 9.835 1.00 15.00 H new ATOM 0 HE1 HIS A 386 -1.249 -3.775 5.890 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.179 -5.603 7.292 1.00 15.00 H new ATOM 338 N ASN A 387 -0.355 0.493 10.780 1.00 15.00 N ATOM 339 CA ASN A 387 0.277 1.176 11.871 1.00 15.00 C ATOM 340 C ASN A 387 -0.265 2.593 12.023 1.00 15.00 C ATOM 341 O ASN A 387 -0.288 3.146 13.121 1.00 15.00 O ATOM 342 CB ASN A 387 1.771 1.160 11.585 1.00 15.00 C ATOM 343 CG ASN A 387 2.602 1.799 12.688 1.00 15.00 C ATOM 344 OD1 ASN A 387 3.009 1.134 13.638 1.00 15.00 O ATOM 345 ND2 ASN A 387 2.874 3.091 12.556 1.00 15.00 N ATOM 0 H ASN A 387 0.201 0.486 9.925 1.00 15.00 H new ATOM 0 HA ASN A 387 0.069 0.681 12.820 1.00 15.00 H new ATOM 0 HB2 ASN A 387 2.096 0.129 11.446 1.00 15.00 H new ATOM 0 HB3 ASN A 387 1.960 1.683 10.648 1.00 15.00 H new ATOM 0 HD21 ASN A 387 3.440 3.567 13.258 1.00 15.00 H new ATOM 0 HD22 ASN A 387 2.517 3.608 11.752 1.00 15.00 H new ATOM 352 N ASN A 388 -0.672 3.183 10.909 1.00 15.00 N ATOM 353 CA ASN A 388 -1.281 4.506 10.921 1.00 15.00 C ATOM 354 C ASN A 388 -2.699 4.453 10.345 1.00 15.00 C ATOM 355 O ASN A 388 -3.453 5.414 10.465 1.00 15.00 O ATOM 356 CB ASN A 388 -0.411 5.527 10.172 1.00 15.00 C ATOM 357 CG ASN A 388 -0.484 5.397 8.662 1.00 15.00 C ATOM 358 OD1 ASN A 388 -0.770 4.326 8.124 1.00 15.00 O ATOM 359 ND2 ASN A 388 -0.208 6.487 7.963 1.00 15.00 N ATOM 0 H ASN A 388 -0.591 2.765 9.982 1.00 15.00 H new ATOM 0 HA ASN A 388 -1.351 4.837 11.957 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -0.720 6.533 10.457 1.00 15.00 H new ATOM 0 HB3 ASN A 388 0.625 5.410 10.489 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -0.228 6.458 6.944 1.00 15.00 H new ATOM 0 HD22 ASN A 388 0.025 7.356 8.444 1.00 15.00 H new ATOM 366 N ARG A 389 -3.020 3.334 9.672 1.00 15.00 N ATOM 367 CA ARG A 389 -4.319 3.135 9.005 1.00 15.00 C ATOM 368 C ARG A 389 -4.361 3.874 7.680 1.00 15.00 C ATOM 369 O ARG A 389 -5.028 4.903 7.551 1.00 15.00 O ATOM 370 CB ARG A 389 -5.526 3.541 9.871 1.00 15.00 C ATOM 371 CG ARG A 389 -5.919 2.516 10.922 1.00 15.00 C ATOM 372 CD ARG A 389 -4.891 2.419 12.029 1.00 15.00 C ATOM 373 NE ARG A 389 -4.804 3.669 12.782 1.00 15.00 N ATOM 374 CZ ARG A 389 -3.959 3.885 13.786 1.00 15.00 C ATOM 375 NH1 ARG A 389 -3.232 2.892 14.276 1.00 15.00 N1+ ATOM 376 NH2 ARG A 389 -3.877 5.092 14.327 1.00 15.00 N ATOM 0 H ARG A 389 -2.385 2.541 9.575 1.00 15.00 H new ATOM 0 HA ARG A 389 -4.404 2.062 8.833 1.00 15.00 H new ATOM 0 HB2 ARG A 389 -5.300 4.484 10.368 1.00 15.00 H new ATOM 0 HB3 ARG A 389 -6.381 3.721 9.219 1.00 15.00 H new ATOM 0 HG2 ARG A 389 -6.886 2.785 11.347 1.00 15.00 H new ATOM 0 HG3 ARG A 389 -6.038 1.540 10.451 1.00 15.00 H new ATOM 0 HD2 ARG A 389 -5.154 1.603 12.703 1.00 15.00 H new ATOM 0 HD3 ARG A 389 -3.916 2.179 11.604 1.00 15.00 H new ATOM 0 HE ARG A 389 -5.434 4.427 12.520 1.00 15.00 H new ATOM 0 HH11 ARG A 389 -3.318 1.955 13.883 1.00 15.00 H new ATOM 0 HH12 ARG A 389 -2.586 3.065 15.046 1.00 15.00 H new ATOM 0 HH21 ARG A 389 -4.460 5.850 13.973 1.00 15.00 H new ATOM 0 HH22 ARG A 389 -3.231 5.263 15.097 1.00 15.00 H new ATOM 390 N THR A 390 -3.601 3.389 6.711 1.00 15.00 N ATOM 391 CA THR A 390 -3.473 4.105 5.459 1.00 15.00 C ATOM 392 C THR A 390 -3.437 3.179 4.232 1.00 15.00 C ATOM 393 O THR A 390 -2.974 2.042 4.320 1.00 15.00 O ATOM 394 CB THR A 390 -2.190 4.983 5.498 1.00 15.00 C ATOM 395 OG1 THR A 390 -2.432 6.158 6.279 1.00 15.00 O ATOM 396 CG2 THR A 390 -1.672 5.377 4.114 1.00 15.00 C ATOM 0 H THR A 390 -3.073 2.518 6.767 1.00 15.00 H new ATOM 0 HA THR A 390 -4.362 4.727 5.352 1.00 15.00 H new ATOM 0 HB THR A 390 -1.411 4.372 5.955 1.00 15.00 H new ATOM 0 HG1 THR A 390 -2.004 6.929 5.851 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.776 5.988 4.221 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.432 4.478 3.546 1.00 15.00 H new ATOM 0 HG23 THR A 390 -2.438 5.946 3.587 1.00 15.00 H new ATOM 404 N THR A 391 -3.931 3.687 3.096 1.00 15.00 N ATOM 405 CA THR A 391 -3.830 3.022 1.819 1.00 15.00 C ATOM 406 C THR A 391 -3.251 4.021 0.809 1.00 15.00 C ATOM 407 O THR A 391 -3.826 5.091 0.598 1.00 15.00 O ATOM 408 CB THR A 391 -5.218 2.529 1.368 1.00 15.00 C ATOM 409 OG1 THR A 391 -5.207 2.215 -0.018 1.00 15.00 O ATOM 410 CG2 THR A 391 -6.293 3.564 1.654 1.00 15.00 C ATOM 0 H THR A 391 -4.416 4.583 3.052 1.00 15.00 H new ATOM 0 HA THR A 391 -3.178 2.152 1.892 1.00 15.00 H new ATOM 0 HB THR A 391 -5.450 1.629 1.938 1.00 15.00 H new ATOM 0 HG1 THR A 391 -5.144 1.244 -0.133 1.00 15.00 H new ATOM 0 HG21 THR A 391 -7.260 3.185 1.324 1.00 15.00 H new ATOM 0 HG22 THR A 391 -6.329 3.765 2.725 1.00 15.00 H new ATOM 0 HG23 THR A 391 -6.063 4.485 1.119 1.00 15.00 H new ATOM 418 N THR A 392 -2.095 3.725 0.221 1.00 15.00 N ATOM 419 CA THR A 392 -1.395 4.743 -0.541 1.00 15.00 C ATOM 420 C THR A 392 -0.558 4.171 -1.689 1.00 15.00 C ATOM 421 O THR A 392 -0.081 3.036 -1.619 1.00 15.00 O ATOM 422 CB THR A 392 -0.496 5.576 0.391 1.00 15.00 C ATOM 423 OG1 THR A 392 0.088 6.666 -0.331 1.00 15.00 O ATOM 424 CG2 THR A 392 0.601 4.718 1.009 1.00 15.00 C ATOM 0 H THR A 392 -1.637 2.814 0.257 1.00 15.00 H new ATOM 0 HA THR A 392 -2.161 5.374 -0.991 1.00 15.00 H new ATOM 0 HB THR A 392 -1.118 5.968 1.196 1.00 15.00 H new ATOM 0 HG1 THR A 392 0.237 7.419 0.278 1.00 15.00 H new ATOM 0 HG21 THR A 392 1.220 5.333 1.662 1.00 15.00 H new ATOM 0 HG22 THR A 392 0.150 3.913 1.589 1.00 15.00 H new ATOM 0 HG23 THR A 392 1.219 4.293 0.218 1.00 15.00 H new ATOM 432 N TRP A 393 -0.409 4.969 -2.751 1.00 15.00 N ATOM 433 CA TRP A 393 0.466 4.618 -3.871 1.00 15.00 C ATOM 434 C TRP A 393 1.932 4.843 -3.501 1.00 15.00 C ATOM 435 O TRP A 393 2.835 4.359 -4.181 1.00 15.00 O ATOM 436 CB TRP A 393 0.179 5.485 -5.112 1.00 15.00 C ATOM 437 CG TRP A 393 -1.247 5.532 -5.583 1.00 15.00 C ATOM 438 CD1 TRP A 393 -1.933 6.648 -5.976 1.00 15.00 C ATOM 439 CD2 TRP A 393 -2.152 4.436 -5.736 1.00 15.00 C ATOM 440 NE1 TRP A 393 -3.203 6.309 -6.366 1.00 15.00 N ATOM 441 CE2 TRP A 393 -3.361 4.958 -6.224 1.00 15.00 C ATOM 442 CE3 TRP A 393 -2.061 3.068 -5.509 1.00 15.00 C ATOM 443 CZ2 TRP A 393 -4.462 4.155 -6.487 1.00 15.00 C ATOM 444 CZ3 TRP A 393 -3.155 2.269 -5.769 1.00 15.00 C ATOM 445 CH2 TRP A 393 -4.343 2.815 -6.254 1.00 15.00 C ATOM 0 H TRP A 393 -0.885 5.865 -2.857 1.00 15.00 H new ATOM 0 HA TRP A 393 0.273 3.569 -4.094 1.00 15.00 H new ATOM 0 HB2 TRP A 393 0.501 6.504 -4.898 1.00 15.00 H new ATOM 0 HB3 TRP A 393 0.797 5.121 -5.933 1.00 15.00 H new ATOM 0 HD1 TRP A 393 -1.532 7.651 -5.979 1.00 15.00 H new ATOM 0 HE1 TRP A 393 -3.913 6.958 -6.706 1.00 15.00 H new ATOM 0 HE3 TRP A 393 -1.145 2.636 -5.134 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 -5.382 4.576 -6.864 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 -3.091 1.205 -5.594 1.00 15.00 H new ATOM 0 HH2 TRP A 393 -5.184 2.166 -6.449 1.00 15.00 H new ATOM 456 N THR A 394 2.161 5.612 -2.445 1.00 15.00 N ATOM 457 CA THR A 394 3.496 6.104 -2.134 1.00 15.00 C ATOM 458 C THR A 394 4.381 5.025 -1.507 1.00 15.00 C ATOM 459 O THR A 394 3.901 4.108 -0.838 1.00 15.00 O ATOM 460 CB THR A 394 3.451 7.354 -1.218 1.00 15.00 C ATOM 461 OG1 THR A 394 4.704 8.049 -1.273 1.00 15.00 O ATOM 462 CG2 THR A 394 3.155 6.985 0.228 1.00 15.00 C ATOM 0 H THR A 394 1.439 5.909 -1.789 1.00 15.00 H new ATOM 0 HA THR A 394 3.941 6.391 -3.087 1.00 15.00 H new ATOM 0 HB THR A 394 2.647 7.994 -1.582 1.00 15.00 H new ATOM 0 HG1 THR A 394 4.666 8.838 -0.693 1.00 15.00 H new ATOM 0 HG21 THR A 394 3.132 7.889 0.837 1.00 15.00 H new ATOM 0 HG22 THR A 394 2.188 6.484 0.285 1.00 15.00 H new ATOM 0 HG23 THR A 394 3.932 6.317 0.599 1.00 15.00 H new ATOM 470 N ARG A 395 5.680 5.147 -1.750 1.00 15.00 N ATOM 471 CA ARG A 395 6.667 4.240 -1.186 1.00 15.00 C ATOM 472 C ARG A 395 6.784 4.466 0.315 1.00 15.00 C ATOM 473 O ARG A 395 6.913 5.604 0.769 1.00 15.00 O ATOM 474 CB ARG A 395 8.024 4.483 -1.848 1.00 15.00 C ATOM 475 CG ARG A 395 8.187 3.805 -3.197 1.00 15.00 C ATOM 476 CD ARG A 395 8.705 2.387 -3.039 1.00 15.00 C ATOM 477 NE ARG A 395 9.995 2.364 -2.350 1.00 15.00 N ATOM 478 CZ ARG A 395 10.400 1.375 -1.562 1.00 15.00 C ATOM 479 NH1 ARG A 395 9.651 0.288 -1.423 1.00 15.00 N1+ ATOM 480 NH2 ARG A 395 11.558 1.465 -0.921 1.00 15.00 N ATOM 0 H ARG A 395 6.077 5.876 -2.343 1.00 15.00 H new ATOM 0 HA ARG A 395 6.352 3.213 -1.368 1.00 15.00 H new ATOM 0 HB2 ARG A 395 8.168 5.556 -1.973 1.00 15.00 H new ATOM 0 HB3 ARG A 395 8.810 4.132 -1.180 1.00 15.00 H new ATOM 0 HG2 ARG A 395 7.229 3.789 -3.717 1.00 15.00 H new ATOM 0 HG3 ARG A 395 8.876 4.380 -3.815 1.00 15.00 H new ATOM 0 HD2 ARG A 395 7.981 1.794 -2.480 1.00 15.00 H new ATOM 0 HD3 ARG A 395 8.807 1.924 -4.020 1.00 15.00 H new ATOM 0 HE ARG A 395 10.623 3.157 -2.483 1.00 15.00 H new ATOM 0 HH11 ARG A 395 8.764 0.212 -1.922 1.00 15.00 H new ATOM 0 HH12 ARG A 395 9.962 -0.472 -0.818 1.00 15.00 H new ATOM 0 HH21 ARG A 395 12.140 2.295 -1.033 1.00 15.00 H new ATOM 0 HH22 ARG A 395 11.867 0.704 -0.316 1.00 15.00 H new ATOM 494 N PRO A 396 6.750 3.384 1.102 1.00 15.00 N ATOM 495 CA PRO A 396 6.794 3.468 2.561 1.00 15.00 C ATOM 496 C PRO A 396 8.155 3.918 3.077 1.00 15.00 C ATOM 497 O PRO A 396 9.184 3.292 2.812 1.00 15.00 O ATOM 498 CB PRO A 396 6.501 2.034 3.023 1.00 15.00 C ATOM 499 CG PRO A 396 5.968 1.337 1.816 1.00 15.00 C ATOM 500 CD PRO A 396 6.630 1.997 0.644 1.00 15.00 C ATOM 0 HA PRO A 396 6.084 4.203 2.939 1.00 15.00 H new ATOM 0 HB2 PRO A 396 7.403 1.547 3.393 1.00 15.00 H new ATOM 0 HB3 PRO A 396 5.776 2.023 3.837 1.00 15.00 H new ATOM 0 HG2 PRO A 396 6.196 0.272 1.846 1.00 15.00 H new ATOM 0 HG3 PRO A 396 4.884 1.429 1.757 1.00 15.00 H new ATOM 0 HD2 PRO A 396 7.601 1.555 0.422 1.00 15.00 H new ATOM 0 HD3 PRO A 396 6.029 1.917 -0.262 1.00 15.00 H new ATOM 508 N ILE A 397 8.138 5.011 3.824 1.00 15.00 N ATOM 509 CA ILE A 397 9.343 5.595 4.399 1.00 15.00 C ATOM 510 C ILE A 397 9.911 4.690 5.502 1.00 15.00 C ATOM 511 O ILE A 397 11.044 4.855 5.943 1.00 15.00 O ATOM 512 CB ILE A 397 9.033 7.024 4.935 1.00 15.00 C ATOM 513 CG1 ILE A 397 10.315 7.812 5.274 1.00 15.00 C ATOM 514 CG2 ILE A 397 8.097 6.958 6.137 1.00 15.00 C ATOM 515 CD1 ILE A 397 10.785 7.688 6.711 1.00 15.00 C ATOM 0 H ILE A 397 7.284 5.521 4.050 1.00 15.00 H new ATOM 0 HA ILE A 397 10.105 5.679 3.624 1.00 15.00 H new ATOM 0 HB ILE A 397 8.531 7.567 4.134 1.00 15.00 H new ATOM 0 HG12 ILE A 397 11.115 7.474 4.616 1.00 15.00 H new ATOM 0 HG13 ILE A 397 10.144 8.866 5.053 1.00 15.00 H new ATOM 0 HG21 ILE A 397 7.894 7.967 6.496 1.00 15.00 H new ATOM 0 HG22 ILE A 397 7.161 6.482 5.844 1.00 15.00 H new ATOM 0 HG23 ILE A 397 8.566 6.378 6.932 1.00 15.00 H new ATOM 0 HD11 ILE A 397 11.692 8.277 6.849 1.00 15.00 H new ATOM 0 HD12 ILE A 397 10.008 8.055 7.381 1.00 15.00 H new ATOM 0 HD13 ILE A 397 10.994 6.642 6.937 1.00 15.00 H new ATOM 527 N MET A 398 9.134 3.675 5.887 1.00 15.00 N ATOM 528 CA MET A 398 9.501 2.789 7.003 1.00 15.00 C ATOM 529 C MET A 398 10.575 1.833 6.670 1.00 15.00 C ATOM 530 O MET A 398 11.164 1.097 7.460 1.00 15.00 O ATOM 531 CB MET A 398 8.307 2.141 7.709 1.00 15.00 C ATOM 532 CG MET A 398 7.216 3.122 8.109 1.00 15.00 C ATOM 533 SD MET A 398 7.806 4.425 9.206 1.00 15.00 S ATOM 534 CE MET A 398 6.298 5.355 9.470 1.00 15.00 C ATOM 0 H MET A 398 8.245 3.443 5.444 1.00 15.00 H new ATOM 0 HA MET A 398 9.931 3.458 7.749 1.00 15.00 H new ATOM 0 HB2 MET A 398 7.877 1.384 7.053 1.00 15.00 H new ATOM 0 HB3 MET A 398 8.662 1.625 8.601 1.00 15.00 H new ATOM 0 HG2 MET A 398 6.795 3.574 7.211 1.00 15.00 H new ATOM 0 HG3 MET A 398 6.409 2.579 8.601 1.00 15.00 H new ATOM 0 HE1 MET A 398 6.501 6.197 10.131 1.00 15.00 H new ATOM 0 HE2 MET A 398 5.927 5.725 8.514 1.00 15.00 H new ATOM 0 HE3 MET A 398 5.547 4.709 9.925 1.00 15.00 H new ATOM 544 N GLN A 399 10.753 1.948 5.486 1.00 15.00 N ATOM 545 CA GLN A 399 11.584 1.089 4.656 1.00 15.00 C ATOM 546 C GLN A 399 12.688 1.913 4.006 1.00 15.00 C ATOM 547 O GLN A 399 13.870 1.644 4.222 1.00 15.00 O ATOM 548 CB GLN A 399 10.725 0.385 3.596 1.00 15.00 C ATOM 549 CG GLN A 399 11.341 -0.885 3.012 1.00 15.00 C ATOM 550 CD GLN A 399 12.449 -0.622 2.005 1.00 15.00 C ATOM 551 OE1 GLN A 399 12.190 -0.466 0.814 1.00 15.00 O ATOM 552 NE2 GLN A 399 13.687 -0.607 2.466 1.00 15.00 N ATOM 0 H GLN A 399 10.312 2.695 4.949 1.00 15.00 H new ATOM 0 HA GLN A 399 12.046 0.323 5.279 1.00 15.00 H new ATOM 0 HB2 GLN A 399 9.761 0.134 4.038 1.00 15.00 H new ATOM 0 HB3 GLN A 399 10.531 1.085 2.783 1.00 15.00 H new ATOM 0 HG2 GLN A 399 11.738 -1.492 3.825 1.00 15.00 H new ATOM 0 HG3 GLN A 399 10.557 -1.470 2.531 1.00 15.00 H new ATOM 0 HE21 GLN A 399 13.862 -0.740 3.462 1.00 15.00 H new ATOM 0 HE22 GLN A 399 14.468 -0.462 1.826 1.00 15.00 H new ATOM 561 N LEU A 400 12.275 2.925 3.232 1.00 15.00 N ATOM 562 CA LEU A 400 13.196 3.825 2.528 1.00 15.00 C ATOM 563 C LEU A 400 13.776 3.133 1.292 1.00 15.00 C ATOM 564 O LEU A 400 14.727 2.339 1.433 1.00 15.00 O ATOM 565 CB LEU A 400 14.308 4.332 3.472 1.00 15.00 C ATOM 566 CG LEU A 400 15.117 5.549 2.994 1.00 15.00 C ATOM 567 CD1 LEU A 400 15.857 6.174 4.165 1.00 15.00 C ATOM 568 CD2 LEU A 400 16.116 5.168 1.912 1.00 15.00 C ATOM 569 OXT LEU A 400 13.266 3.399 0.178 1.00 15.00 O ATOM 0 H LEU A 400 11.291 3.143 3.076 1.00 15.00 H new ATOM 0 HA LEU A 400 12.637 4.698 2.192 1.00 15.00 H new ATOM 0 HB2 LEU A 400 13.853 4.581 4.431 1.00 15.00 H new ATOM 0 HB3 LEU A 400 15.002 3.511 3.652 1.00 15.00 H new ATOM 0 HG LEU A 400 14.414 6.267 2.572 1.00 15.00 H new ATOM 0 HD11 LEU A 400 16.427 7.035 3.817 1.00 15.00 H new ATOM 0 HD12 LEU A 400 15.139 6.495 4.920 1.00 15.00 H new ATOM 0 HD13 LEU A 400 16.536 5.441 4.599 1.00 15.00 H new ATOM 0 HD21 LEU A 400 16.669 6.054 1.599 1.00 15.00 H new ATOM 0 HD22 LEU A 400 16.811 4.426 2.304 1.00 15.00 H new ATOM 0 HD23 LEU A 400 15.584 4.751 1.056 1.00 15.00 H new TER 581 LEU A 400 ATOM 582 N GLU B 178 -6.267 8.695 -12.547 1.00 15.00 N ATOM 583 CA GLU B 178 -6.132 7.558 -11.605 1.00 15.00 C ATOM 584 C GLU B 178 -7.328 7.504 -10.666 1.00 15.00 C ATOM 585 O GLU B 178 -7.612 8.488 -9.981 1.00 15.00 O ATOM 586 CB GLU B 178 -4.872 7.714 -10.741 1.00 15.00 C ATOM 587 CG GLU B 178 -3.585 7.909 -11.517 1.00 15.00 C ATOM 588 CD GLU B 178 -3.317 6.781 -12.478 1.00 15.00 C ATOM 589 OE1 GLU B 178 -2.808 5.733 -12.034 1.00 15.00 O ATOM 590 OE2 GLU B 178 -3.626 6.935 -13.676 1.00 15.00 O1- ATOM 0 HA GLU B 178 -6.070 6.647 -12.200 1.00 15.00 H new ATOM 0 HB2 GLU B 178 -5.010 8.565 -10.074 1.00 15.00 H new ATOM 0 HB3 GLU B 178 -4.769 6.830 -10.112 1.00 15.00 H new ATOM 0 HG2 GLU B 178 -3.635 8.848 -12.068 1.00 15.00 H new ATOM 0 HG3 GLU B 178 -2.752 7.993 -10.819 1.00 15.00 H new HETATM 599 N TPO B 179 -8.036 6.380 -10.614 1.00 15.00 N HETATM 600 CA TPO B 179 -8.982 6.186 -9.537 1.00 15.00 C HETATM 601 CB TPO B 179 -10.181 5.329 -9.974 1.00 15.00 C HETATM 602 CG2 TPO B 179 -11.399 6.203 -10.227 1.00 15.00 C HETATM 603 OG1 TPO B 179 -9.856 4.589 -11.158 1.00 15.00 O HETATM 604 P TPO B 179 -9.649 2.987 -11.176 1.00 15.00 P HETATM 605 O1P TPO B 179 -8.449 2.673 -10.410 1.00 15.00 O HETATM 606 O2P TPO B 179 -10.821 2.349 -10.581 1.00 15.00 O HETATM 607 O3P TPO B 179 -9.488 2.547 -12.565 1.00 15.00 O HETATM 608 C TPO B 179 -8.258 5.537 -8.358 1.00 15.00 C HETATM 609 O TPO B 179 -7.715 4.439 -8.472 1.00 15.00 O HETATM 0 HG23 TPO B 179 -11.661 6.736 -9.313 1.00 15.00 H new HETATM 0 HG22 TPO B 179 -11.174 6.922 -11.014 1.00 15.00 H new HETATM 0 HG21 TPO B 179 -12.237 5.578 -10.535 1.00 15.00 H new HETATM 0 HB TPO B 179 -10.414 4.630 -9.171 1.00 15.00 H new HETATM 0 HA TPO B 179 -9.380 7.157 -9.242 1.00 15.00 H new HETATM 0 H TPO B 179 -8.213 5.965 -11.529 1.00 15.00 H new ATOM 616 N PRO B 180 -8.233 6.230 -7.214 1.00 15.00 N ATOM 617 CA PRO B 180 -7.512 5.820 -6.014 1.00 15.00 C ATOM 618 C PRO B 180 -7.579 4.444 -5.421 1.00 15.00 C ATOM 619 O PRO B 180 -8.319 3.537 -5.821 1.00 15.00 O ATOM 620 CB PRO B 180 -8.117 6.787 -5.016 1.00 15.00 C ATOM 621 CG PRO B 180 -7.770 7.941 -5.765 1.00 15.00 C ATOM 622 CD PRO B 180 -8.531 7.672 -7.047 1.00 15.00 C ATOM 0 HA PRO B 180 -6.454 5.818 -6.275 1.00 15.00 H new ATOM 0 HB2 PRO B 180 -9.190 6.660 -4.873 1.00 15.00 H new ATOM 0 HB3 PRO B 180 -7.657 6.747 -4.029 1.00 15.00 H new ATOM 0 HG2 PRO B 180 -8.089 8.863 -5.279 1.00 15.00 H new ATOM 0 HG3 PRO B 180 -6.695 8.022 -5.929 1.00 15.00 H new ATOM 0 HD2 PRO B 180 -9.598 7.870 -6.949 1.00 15.00 H new ATOM 0 HD3 PRO B 180 -8.170 8.273 -7.882 1.00 15.00 H new ATOM 630 N PRO B 181 -6.695 4.351 -4.409 1.00 15.00 N ATOM 631 CA PRO B 181 -6.411 3.156 -3.622 1.00 15.00 C ATOM 632 C PRO B 181 -7.645 2.509 -2.999 1.00 15.00 C ATOM 633 O PRO B 181 -8.561 3.190 -2.529 1.00 15.00 O ATOM 634 CB PRO B 181 -5.486 3.686 -2.512 1.00 15.00 C ATOM 635 CG PRO B 181 -5.621 5.174 -2.545 1.00 15.00 C ATOM 636 CD PRO B 181 -5.885 5.514 -3.938 1.00 15.00 C ATOM 0 HA PRO B 181 -5.985 2.372 -4.247 1.00 15.00 H new ATOM 0 HB2 PRO B 181 -5.775 3.289 -1.539 1.00 15.00 H new ATOM 0 HB3 PRO B 181 -4.453 3.383 -2.686 1.00 15.00 H new ATOM 0 HG2 PRO B 181 -6.433 5.508 -1.899 1.00 15.00 H new ATOM 0 HG3 PRO B 181 -4.711 5.658 -2.189 1.00 15.00 H new ATOM 0 HD2 PRO B 181 -6.432 6.453 -4.030 1.00 15.00 H new ATOM 0 HD3 PRO B 181 -4.964 5.625 -4.510 1.00 15.00 H new ATOM 644 N PRO B 182 -7.645 1.171 -2.978 1.00 15.00 N ATOM 645 CA PRO B 182 -8.620 0.366 -2.238 1.00 15.00 C ATOM 646 C PRO B 182 -8.390 0.509 -0.736 1.00 15.00 C ATOM 647 O PRO B 182 -7.263 0.740 -0.313 1.00 15.00 O ATOM 648 CB PRO B 182 -8.335 -1.073 -2.698 1.00 15.00 C ATOM 649 CG PRO B 182 -7.442 -0.945 -3.891 1.00 15.00 C ATOM 650 CD PRO B 182 -6.683 0.328 -3.695 1.00 15.00 C ATOM 0 HA PRO B 182 -9.651 0.667 -2.423 1.00 15.00 H new ATOM 0 HB2 PRO B 182 -7.853 -1.649 -1.908 1.00 15.00 H new ATOM 0 HB3 PRO B 182 -9.258 -1.593 -2.954 1.00 15.00 H new ATOM 0 HG2 PRO B 182 -6.765 -1.796 -3.966 1.00 15.00 H new ATOM 0 HG3 PRO B 182 -8.023 -0.916 -4.813 1.00 15.00 H new ATOM 0 HD2 PRO B 182 -5.772 0.171 -3.117 1.00 15.00 H new ATOM 0 HD3 PRO B 182 -6.385 0.772 -4.645 1.00 15.00 H new ATOM 658 N GLY B 183 -9.458 0.384 0.052 1.00 15.00 N ATOM 659 CA GLY B 183 -9.410 0.694 1.479 1.00 15.00 C ATOM 660 C GLY B 183 -8.297 0.002 2.268 1.00 15.00 C ATOM 661 O GLY B 183 -7.579 -0.856 1.759 1.00 15.00 O ATOM 0 H GLY B 183 -10.371 0.069 -0.277 1.00 15.00 H new ATOM 0 HA2 GLY B 183 -9.297 1.772 1.595 1.00 15.00 H new ATOM 0 HA3 GLY B 183 -10.368 0.424 1.924 1.00 15.00 H new ATOM 665 N TYR B 184 -8.223 0.330 3.552 1.00 15.00 N ATOM 666 CA TYR B 184 -7.125 -0.098 4.412 1.00 15.00 C ATOM 667 C TYR B 184 -7.376 -1.457 5.108 1.00 15.00 C ATOM 668 O TYR B 184 -8.427 -1.675 5.715 1.00 15.00 O ATOM 669 CB TYR B 184 -6.797 1.021 5.428 1.00 15.00 C ATOM 670 CG TYR B 184 -6.282 0.511 6.754 1.00 15.00 C ATOM 671 CD1 TYR B 184 -4.984 0.072 6.926 1.00 15.00 C ATOM 672 CD2 TYR B 184 -7.145 0.455 7.845 1.00 15.00 C ATOM 673 CE1 TYR B 184 -4.557 -0.409 8.151 1.00 15.00 C ATOM 674 CE2 TYR B 184 -6.725 -0.019 9.067 1.00 15.00 C ATOM 675 CZ TYR B 184 -5.430 -0.450 9.218 1.00 15.00 C ATOM 676 OH TYR B 184 -5.007 -0.929 10.440 1.00 15.00 O ATOM 0 H TYR B 184 -8.922 0.900 4.027 1.00 15.00 H new ATOM 0 HA TYR B 184 -6.258 -0.269 3.774 1.00 15.00 H new ATOM 0 HB2 TYR B 184 -6.053 1.688 4.992 1.00 15.00 H new ATOM 0 HB3 TYR B 184 -7.694 1.615 5.602 1.00 15.00 H new ATOM 0 HD1 TYR B 184 -4.295 0.104 6.095 1.00 15.00 H new ATOM 0 HD2 TYR B 184 -8.165 0.790 7.730 1.00 15.00 H new ATOM 0 HE1 TYR B 184 -3.540 -0.752 8.272 1.00 15.00 H new ATOM 0 HE2 TYR B 184 -7.410 -0.052 9.902 1.00 15.00 H new ATOM 0 HH TYR B 184 -5.747 -0.887 11.082 1.00 15.00 H new ATOM 686 N LEU B 185 -6.366 -2.366 5.010 1.00 15.00 N ATOM 687 CA LEU B 185 -6.430 -3.738 5.528 1.00 15.00 C ATOM 688 C LEU B 185 -7.495 -4.563 4.856 1.00 15.00 C ATOM 689 O LEU B 185 -7.793 -5.683 5.270 1.00 15.00 O ATOM 690 CB LEU B 185 -6.546 -3.790 7.041 1.00 15.00 C ATOM 691 CG LEU B 185 -5.213 -3.846 7.759 1.00 15.00 C ATOM 692 CD1 LEU B 185 -5.415 -3.850 9.266 1.00 15.00 C ATOM 693 CD2 LEU B 185 -4.436 -5.080 7.323 1.00 15.00 C ATOM 0 H LEU B 185 -5.477 -2.150 4.560 1.00 15.00 H new ATOM 0 HA LEU B 185 -5.473 -4.194 5.273 1.00 15.00 H new ATOM 0 HB2 LEU B 185 -7.095 -2.913 7.384 1.00 15.00 H new ATOM 0 HB3 LEU B 185 -7.135 -4.664 7.320 1.00 15.00 H new ATOM 0 HG LEU B 185 -4.639 -2.958 7.495 1.00 15.00 H new ATOM 0 HD11 LEU B 185 -4.446 -3.891 9.763 1.00 15.00 H new ATOM 0 HD12 LEU B 185 -5.939 -2.942 9.565 1.00 15.00 H new ATOM 0 HD13 LEU B 185 -6.006 -4.720 9.552 1.00 15.00 H new ATOM 0 HD21 LEU B 185 -3.480 -5.111 7.845 1.00 15.00 H new ATOM 0 HD22 LEU B 185 -5.010 -5.975 7.564 1.00 15.00 H new ATOM 0 HD23 LEU B 185 -4.262 -5.039 6.248 1.00 15.00 H new ATOM 705 N SER B 186 -8.021 -4.031 3.788 1.00 15.00 N ATOM 706 CA SER B 186 -8.770 -4.821 2.864 1.00 15.00 C ATOM 707 C SER B 186 -7.779 -5.335 1.836 1.00 15.00 C ATOM 708 O SER B 186 -7.364 -4.596 0.951 1.00 15.00 O ATOM 709 CB SER B 186 -9.851 -3.956 2.222 1.00 15.00 C ATOM 710 OG SER B 186 -10.483 -4.610 1.133 1.00 15.00 O ATOM 0 H SER B 186 -7.941 -3.045 3.539 1.00 15.00 H new ATOM 0 HA SER B 186 -9.273 -5.659 3.347 1.00 15.00 H new ATOM 0 HB2 SER B 186 -10.599 -3.696 2.971 1.00 15.00 H new ATOM 0 HB3 SER B 186 -9.409 -3.022 1.876 1.00 15.00 H new ATOM 0 HG SER B 186 -11.169 -4.023 0.752 1.00 15.00 H new ATOM 716 N GLU B 187 -7.349 -6.577 1.994 1.00 15.00 N ATOM 717 CA GLU B 187 -6.268 -7.103 1.175 1.00 15.00 C ATOM 718 C GLU B 187 -6.643 -8.441 0.562 1.00 15.00 C ATOM 719 O GLU B 187 -7.091 -9.361 1.249 1.00 15.00 O ATOM 720 CB GLU B 187 -4.952 -7.192 1.977 1.00 15.00 C ATOM 721 CG GLU B 187 -4.275 -5.855 2.143 1.00 15.00 C ATOM 722 CD GLU B 187 -3.750 -5.340 0.832 1.00 15.00 C ATOM 723 OE1 GLU B 187 -2.604 -5.669 0.492 1.00 15.00 O1- ATOM 724 OE2 GLU B 187 -4.493 -4.629 0.129 1.00 15.00 O ATOM 0 H GLU B 187 -7.728 -7.235 2.675 1.00 15.00 H new ATOM 0 HA GLU B 187 -6.102 -6.405 0.354 1.00 15.00 H new ATOM 0 HB2 GLU B 187 -5.160 -7.613 2.961 1.00 15.00 H new ATOM 0 HB3 GLU B 187 -4.271 -7.878 1.474 1.00 15.00 H new ATOM 0 HG2 GLU B 187 -4.981 -5.137 2.561 1.00 15.00 H new ATOM 0 HG3 GLU B 187 -3.454 -5.947 2.855 1.00 15.00 H new ATOM 731 N ASP B 188 -6.427 -8.533 -0.743 1.00 15.00 N ATOM 732 CA ASP B 188 -6.841 -9.685 -1.543 1.00 15.00 C ATOM 733 C ASP B 188 -5.828 -10.826 -1.434 1.00 15.00 C ATOM 734 O ASP B 188 -5.938 -11.841 -2.122 1.00 15.00 O ATOM 735 CB ASP B 188 -6.993 -9.242 -3.004 1.00 15.00 C ATOM 736 CG ASP B 188 -7.659 -10.283 -3.881 1.00 15.00 C ATOM 737 OD1 ASP B 188 -8.897 -10.416 -3.810 1.00 15.00 O ATOM 738 OD2 ASP B 188 -6.955 -10.949 -4.664 1.00 15.00 O1- ATOM 0 H ASP B 188 -5.956 -7.807 -1.283 1.00 15.00 H new ATOM 0 HA ASP B 188 -7.794 -10.057 -1.167 1.00 15.00 H new ATOM 0 HB2 ASP B 188 -7.576 -8.322 -3.038 1.00 15.00 H new ATOM 0 HB3 ASP B 188 -6.008 -9.011 -3.410 1.00 15.00 H new ATOM 743 N GLY B 189 -4.856 -10.656 -0.546 1.00 15.00 N ATOM 744 CA GLY B 189 -3.813 -11.650 -0.370 1.00 15.00 C ATOM 745 C GLY B 189 -4.360 -12.998 0.066 1.00 15.00 C ATOM 746 O GLY B 189 -3.741 -14.031 -0.269 1.00 15.00 O ATOM 747 OXT GLY B 189 -5.414 -13.033 0.735 1.00 15.00 O ATOM 0 H GLY B 189 -4.771 -9.840 0.060 1.00 15.00 H new ATOM 0 HA2 GLY B 189 -3.267 -11.769 -1.306 1.00 15.00 H new ATOM 0 HA3 GLY B 189 -3.099 -11.294 0.372 1.00 15.00 H new TER 751 GLY B 189