USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=14 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 392 THR OG1 : rot 171:sc= 0.771 USER MOD Set 1.2: A 394 THR OG1 : rot 83:sc= 0.32 USER MOD Set 2.1: A 388 ASN : amide:sc= 0.55 K(o=1.1,f=0.4) USER MOD Set 2.2: A 390 THR OG1 : rot -160:sc= 0.571 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 378 LYS NZ :NH3+ -132:sc= -1.9 (180deg=-4.6!) USER MOD Single : A 381 THR OG1 : rot 30:sc= 0.507 USER MOD Single : A 382 TYR OH : rot 60:sc= 1.59 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 385 ASN :FLIP amide:sc= -5.17! C(o=-7.8!,f=-5.2!) USER MOD Single : A 386 HIS : no HD1:sc= -6.82! C(o=-6.8!,f=-13!) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 391 THR OG1 : rot 80:sc= 0.806 USER MOD Single : A 398 MET CE :methyl -147:sc= 0 (180deg=-0.00651) USER MOD Single : A 399 GLN :FLIP amide:sc= -0.799 F(o=-2!,f=-0.8) USER MOD Single : B 184 TYR OH : rot -134:sc= -1.23 USER MOD Single : B 186 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 366 10.864 -1.344 -2.803 1.00 15.00 N ATOM 2 CA GLY A 366 11.071 -2.307 -1.743 1.00 15.00 C ATOM 3 C GLY A 366 9.849 -2.429 -0.858 1.00 15.00 C ATOM 4 O GLY A 366 9.182 -1.432 -0.577 1.00 15.00 O ATOM 0 HA2 GLY A 366 11.307 -3.280 -2.175 1.00 15.00 H new ATOM 0 HA3 GLY A 366 11.929 -2.008 -1.141 1.00 15.00 H new ATOM 8 N LEU A 367 9.544 -3.645 -0.427 1.00 15.00 N ATOM 9 CA LEU A 367 8.382 -3.876 0.417 1.00 15.00 C ATOM 10 C LEU A 367 8.798 -3.867 1.884 1.00 15.00 C ATOM 11 O LEU A 367 9.680 -4.628 2.282 1.00 15.00 O ATOM 12 CB LEU A 367 7.725 -5.218 0.079 1.00 15.00 C ATOM 13 CG LEU A 367 6.265 -5.352 0.511 1.00 15.00 C ATOM 14 CD1 LEU A 367 5.374 -4.502 -0.375 1.00 15.00 C ATOM 15 CD2 LEU A 367 5.822 -6.801 0.471 1.00 15.00 C ATOM 0 H LEU A 367 10.083 -4.483 -0.647 1.00 15.00 H new ATOM 0 HA LEU A 367 7.661 -3.078 0.236 1.00 15.00 H new ATOM 0 HB2 LEU A 367 7.785 -5.373 -0.998 1.00 15.00 H new ATOM 0 HB3 LEU A 367 8.301 -6.015 0.548 1.00 15.00 H new ATOM 0 HG LEU A 367 6.178 -4.998 1.538 1.00 15.00 H new ATOM 0 HD11 LEU A 367 4.337 -4.607 -0.056 1.00 15.00 H new ATOM 0 HD12 LEU A 367 5.674 -3.457 -0.297 1.00 15.00 H new ATOM 0 HD13 LEU A 367 5.470 -4.830 -1.410 1.00 15.00 H new ATOM 0 HD21 LEU A 367 4.780 -6.872 0.782 1.00 15.00 H new ATOM 0 HD22 LEU A 367 5.924 -7.185 -0.544 1.00 15.00 H new ATOM 0 HD23 LEU A 367 6.443 -7.390 1.146 1.00 15.00 H new ATOM 27 N PRO A 368 8.174 -3.018 2.713 1.00 15.00 N ATOM 28 CA PRO A 368 8.512 -2.908 4.112 1.00 15.00 C ATOM 29 C PRO A 368 7.703 -3.867 4.968 1.00 15.00 C ATOM 30 O PRO A 368 6.519 -4.119 4.720 1.00 15.00 O ATOM 31 CB PRO A 368 8.108 -1.478 4.436 1.00 15.00 C ATOM 32 CG PRO A 368 6.890 -1.284 3.618 1.00 15.00 C ATOM 33 CD PRO A 368 7.146 -2.040 2.343 1.00 15.00 C ATOM 0 HA PRO A 368 9.558 -3.144 4.307 1.00 15.00 H new ATOM 0 HB2 PRO A 368 7.906 -1.347 5.499 1.00 15.00 H new ATOM 0 HB3 PRO A 368 8.890 -0.767 4.170 1.00 15.00 H new ATOM 0 HG2 PRO A 368 6.007 -1.665 4.131 1.00 15.00 H new ATOM 0 HG3 PRO A 368 6.713 -0.227 3.420 1.00 15.00 H new ATOM 0 HD2 PRO A 368 6.242 -2.529 1.980 1.00 15.00 H new ATOM 0 HD3 PRO A 368 7.492 -1.378 1.549 1.00 15.00 H new ATOM 41 N SER A 369 8.348 -4.365 5.986 1.00 15.00 N ATOM 42 CA SER A 369 7.727 -5.280 6.921 1.00 15.00 C ATOM 43 C SER A 369 6.691 -4.544 7.769 1.00 15.00 C ATOM 44 O SER A 369 7.049 -3.713 8.606 1.00 15.00 O ATOM 45 CB SER A 369 8.793 -5.892 7.832 1.00 15.00 C ATOM 46 OG SER A 369 9.869 -6.425 7.077 1.00 15.00 O ATOM 0 H SER A 369 9.323 -4.151 6.197 1.00 15.00 H new ATOM 0 HA SER A 369 7.230 -6.072 6.361 1.00 15.00 H new ATOM 0 HB2 SER A 369 9.168 -5.133 8.518 1.00 15.00 H new ATOM 0 HB3 SER A 369 8.347 -6.679 8.440 1.00 15.00 H new ATOM 0 HG SER A 369 10.536 -6.808 7.684 1.00 15.00 H new ATOM 52 N GLY A 370 5.414 -4.802 7.526 1.00 15.00 N ATOM 53 CA GLY A 370 4.389 -4.205 8.353 1.00 15.00 C ATOM 54 C GLY A 370 3.143 -3.849 7.578 1.00 15.00 C ATOM 55 O GLY A 370 2.087 -3.638 8.161 1.00 15.00 O ATOM 0 H GLY A 370 5.073 -5.407 6.779 1.00 15.00 H new ATOM 0 HA2 GLY A 370 4.127 -4.896 9.154 1.00 15.00 H new ATOM 0 HA3 GLY A 370 4.787 -3.306 8.824 1.00 15.00 H new ATOM 59 N TRP A 371 3.270 -3.703 6.272 1.00 15.00 N ATOM 60 CA TRP A 371 2.132 -3.462 5.427 1.00 15.00 C ATOM 61 C TRP A 371 1.770 -4.714 4.645 1.00 15.00 C ATOM 62 O TRP A 371 2.627 -5.563 4.400 1.00 15.00 O ATOM 63 CB TRP A 371 2.468 -2.365 4.434 1.00 15.00 C ATOM 64 CG TRP A 371 3.084 -1.127 5.017 1.00 15.00 C ATOM 65 CD1 TRP A 371 3.780 -0.989 6.175 1.00 15.00 C ATOM 66 CD2 TRP A 371 3.046 0.156 4.430 1.00 15.00 C ATOM 67 NE1 TRP A 371 4.185 0.308 6.326 1.00 15.00 N ATOM 68 CE2 TRP A 371 3.738 1.038 5.261 1.00 15.00 C ATOM 69 CE3 TRP A 371 2.480 0.621 3.276 1.00 15.00 C ATOM 70 CZ2 TRP A 371 3.876 2.392 4.957 1.00 15.00 C ATOM 71 CZ3 TRP A 371 2.601 1.966 2.956 1.00 15.00 C ATOM 72 CH2 TRP A 371 3.296 2.839 3.801 1.00 15.00 C ATOM 0 H TRP A 371 4.161 -3.749 5.777 1.00 15.00 H new ATOM 0 HA TRP A 371 1.292 -3.171 6.057 1.00 15.00 H new ATOM 0 HB2 TRP A 371 3.151 -2.772 3.688 1.00 15.00 H new ATOM 0 HB3 TRP A 371 1.555 -2.082 3.910 1.00 15.00 H new ATOM 0 HD1 TRP A 371 3.984 -1.787 6.874 1.00 15.00 H new ATOM 0 HE1 TRP A 371 4.732 0.672 7.107 1.00 15.00 H new ATOM 0 HE3 TRP A 371 1.945 -0.050 2.621 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 4.419 3.061 5.608 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 2.155 2.342 2.047 1.00 15.00 H new ATOM 0 HH2 TRP A 371 3.376 3.883 3.536 1.00 15.00 H new ATOM 83 N GLU A 372 0.516 -4.817 4.221 1.00 15.00 N ATOM 84 CA GLU A 372 0.150 -5.866 3.290 1.00 15.00 C ATOM 85 C GLU A 372 0.219 -5.294 1.883 1.00 15.00 C ATOM 86 O GLU A 372 -0.231 -4.170 1.655 1.00 15.00 O ATOM 87 CB GLU A 372 -1.259 -6.439 3.548 1.00 15.00 C ATOM 88 CG GLU A 372 -1.586 -6.713 5.005 1.00 15.00 C ATOM 89 CD GLU A 372 -0.589 -7.630 5.680 1.00 15.00 C ATOM 90 OE1 GLU A 372 -0.628 -8.853 5.427 1.00 15.00 O ATOM 91 OE2 GLU A 372 0.225 -7.130 6.485 1.00 15.00 O1- ATOM 0 H GLU A 372 -0.246 -4.200 4.502 1.00 15.00 H new ATOM 0 HA GLU A 372 0.848 -6.693 3.422 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.996 -5.741 3.151 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.365 -7.368 2.987 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -1.623 -5.767 5.546 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.579 -7.157 5.070 1.00 15.00 H new ATOM 98 N GLU A 373 0.792 -6.030 0.947 1.00 15.00 N ATOM 99 CA GLU A 373 0.876 -5.538 -0.414 1.00 15.00 C ATOM 100 C GLU A 373 -0.262 -6.065 -1.267 1.00 15.00 C ATOM 101 O GLU A 373 -0.742 -7.182 -1.070 1.00 15.00 O ATOM 102 CB GLU A 373 2.217 -5.879 -1.063 1.00 15.00 C ATOM 103 CG GLU A 373 2.698 -7.310 -0.851 1.00 15.00 C ATOM 104 CD GLU A 373 1.980 -8.339 -1.710 1.00 15.00 C ATOM 105 OE1 GLU A 373 2.116 -8.292 -2.952 1.00 15.00 O1- ATOM 106 OE2 GLU A 373 1.279 -9.207 -1.147 1.00 15.00 O ATOM 0 H GLU A 373 1.198 -6.953 1.100 1.00 15.00 H new ATOM 0 HA GLU A 373 0.793 -4.453 -0.357 1.00 15.00 H new ATOM 0 HB2 GLU A 373 2.141 -5.694 -2.134 1.00 15.00 H new ATOM 0 HB3 GLU A 373 2.974 -5.197 -0.675 1.00 15.00 H new ATOM 0 HG2 GLU A 373 3.766 -7.358 -1.062 1.00 15.00 H new ATOM 0 HG3 GLU A 373 2.568 -7.574 0.199 1.00 15.00 H new ATOM 113 N ARG A 374 -0.681 -5.249 -2.213 1.00 15.00 N ATOM 114 CA ARG A 374 -1.697 -5.636 -3.180 1.00 15.00 C ATOM 115 C ARG A 374 -1.483 -4.907 -4.496 1.00 15.00 C ATOM 116 O ARG A 374 -1.383 -3.677 -4.535 1.00 15.00 O ATOM 117 CB ARG A 374 -3.119 -5.386 -2.662 1.00 15.00 C ATOM 118 CG ARG A 374 -3.626 -6.480 -1.734 1.00 15.00 C ATOM 119 CD ARG A 374 -5.130 -6.664 -1.849 1.00 15.00 C ATOM 120 NE ARG A 374 -5.877 -5.545 -1.293 1.00 15.00 N ATOM 121 CZ ARG A 374 -7.096 -5.191 -1.693 1.00 15.00 C ATOM 122 NH1 ARG A 374 -7.712 -5.879 -2.649 1.00 15.00 N1+ ATOM 123 NH2 ARG A 374 -7.700 -4.150 -1.135 1.00 15.00 N ATOM 0 H ARG A 374 -0.329 -4.299 -2.336 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.593 -6.709 -3.341 1.00 15.00 H new ATOM 0 HB2 ARG A 374 -3.143 -4.433 -2.134 1.00 15.00 H new ATOM 0 HB3 ARG A 374 -3.797 -5.297 -3.511 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -3.126 -7.419 -1.971 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -3.368 -6.232 -0.704 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -5.397 -6.789 -2.898 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -5.420 -7.580 -1.335 1.00 15.00 H new ATOM 0 HE ARG A 374 -5.439 -4.999 -0.551 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -7.250 -6.681 -3.078 1.00 15.00 H new ATOM 0 HH12 ARG A 374 -8.646 -5.605 -2.953 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -7.230 -3.621 -0.400 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -8.634 -3.878 -1.441 1.00 15.00 H new ATOM 137 N LYS A 375 -1.411 -5.666 -5.570 1.00 15.00 N ATOM 138 CA LYS A 375 -1.284 -5.097 -6.895 1.00 15.00 C ATOM 139 C LYS A 375 -2.543 -5.397 -7.702 1.00 15.00 C ATOM 140 O LYS A 375 -2.859 -6.562 -7.944 1.00 15.00 O ATOM 141 CB LYS A 375 -0.058 -5.674 -7.598 1.00 15.00 C ATOM 142 CG LYS A 375 0.183 -5.091 -8.977 1.00 15.00 C ATOM 143 CD LYS A 375 1.444 -5.660 -9.600 1.00 15.00 C ATOM 144 CE LYS A 375 1.684 -5.090 -10.983 1.00 15.00 C ATOM 145 NZ LYS A 375 2.932 -5.620 -11.584 1.00 15.00 N1+ ATOM 0 H LYS A 375 -1.439 -6.685 -5.550 1.00 15.00 H new ATOM 0 HA LYS A 375 -1.161 -4.017 -6.812 1.00 15.00 H new ATOM 0 HB2 LYS A 375 0.822 -5.497 -6.979 1.00 15.00 H new ATOM 0 HB3 LYS A 375 -0.175 -6.754 -7.685 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -0.671 -5.304 -9.619 1.00 15.00 H new ATOM 0 HG3 LYS A 375 0.266 -4.006 -8.907 1.00 15.00 H new ATOM 0 HD2 LYS A 375 2.299 -5.439 -8.961 1.00 15.00 H new ATOM 0 HD3 LYS A 375 1.363 -6.745 -9.661 1.00 15.00 H new ATOM 0 HE2 LYS A 375 0.839 -5.330 -11.628 1.00 15.00 H new ATOM 0 HE3 LYS A 375 1.741 -4.003 -10.924 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 3.064 -5.208 -12.530 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 3.741 -5.369 -10.981 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 2.867 -6.655 -11.663 1.00 15.00 H new ATOM 159 N ASP A 376 -3.272 -4.363 -8.106 1.00 15.00 N ATOM 160 CA ASP A 376 -4.519 -4.565 -8.825 1.00 15.00 C ATOM 161 C ASP A 376 -4.299 -4.405 -10.324 1.00 15.00 C ATOM 162 O ASP A 376 -3.471 -3.585 -10.754 1.00 15.00 O ATOM 163 CB ASP A 376 -5.586 -3.579 -8.337 1.00 15.00 C ATOM 164 CG ASP A 376 -6.956 -3.897 -8.900 1.00 15.00 C ATOM 165 OD1 ASP A 376 -7.651 -4.765 -8.333 1.00 15.00 O1- ATOM 166 OD2 ASP A 376 -7.340 -3.295 -9.924 1.00 15.00 O ATOM 0 H ASP A 376 -3.022 -3.387 -7.949 1.00 15.00 H new ATOM 0 HA ASP A 376 -4.869 -5.579 -8.630 1.00 15.00 H new ATOM 0 HB2 ASP A 376 -5.628 -3.601 -7.248 1.00 15.00 H new ATOM 0 HB3 ASP A 376 -5.302 -2.567 -8.625 1.00 15.00 H new ATOM 171 N ALA A 377 -5.073 -5.158 -11.111 1.00 15.00 N ATOM 172 CA ALA A 377 -4.956 -5.162 -12.571 1.00 15.00 C ATOM 173 C ALA A 377 -5.278 -3.796 -13.176 1.00 15.00 C ATOM 174 O ALA A 377 -5.167 -3.602 -14.387 1.00 15.00 O ATOM 175 CB ALA A 377 -5.869 -6.226 -13.163 1.00 15.00 C ATOM 0 H ALA A 377 -5.797 -5.781 -10.754 1.00 15.00 H new ATOM 0 HA ALA A 377 -3.919 -5.392 -12.818 1.00 15.00 H new ATOM 0 HB1 ALA A 377 -5.776 -6.222 -14.249 1.00 15.00 H new ATOM 0 HB2 ALA A 377 -5.584 -7.205 -12.778 1.00 15.00 H new ATOM 0 HB3 ALA A 377 -6.902 -6.014 -12.887 1.00 15.00 H new ATOM 181 N LYS A 378 -5.682 -2.858 -12.331 1.00 15.00 N ATOM 182 CA LYS A 378 -5.888 -1.475 -12.744 1.00 15.00 C ATOM 183 C LYS A 378 -4.577 -0.827 -13.199 1.00 15.00 C ATOM 184 O LYS A 378 -4.582 0.258 -13.776 1.00 15.00 O ATOM 185 CB LYS A 378 -6.489 -0.661 -11.591 1.00 15.00 C ATOM 186 CG LYS A 378 -5.688 -0.746 -10.297 1.00 15.00 C ATOM 187 CD LYS A 378 -6.202 0.198 -9.208 1.00 15.00 C ATOM 188 CE LYS A 378 -7.547 -0.221 -8.615 1.00 15.00 C ATOM 189 NZ LYS A 378 -8.666 -0.118 -9.592 1.00 15.00 N1+ ATOM 0 H LYS A 378 -5.876 -3.032 -11.345 1.00 15.00 H new ATOM 0 HA LYS A 378 -6.579 -1.481 -13.587 1.00 15.00 H new ATOM 0 HB2 LYS A 378 -6.562 0.383 -11.895 1.00 15.00 H new ATOM 0 HB3 LYS A 378 -7.504 -1.010 -11.403 1.00 15.00 H new ATOM 0 HG2 LYS A 378 -5.718 -1.770 -9.925 1.00 15.00 H new ATOM 0 HG3 LYS A 378 -4.644 -0.514 -10.507 1.00 15.00 H new ATOM 0 HD2 LYS A 378 -5.463 0.252 -8.408 1.00 15.00 H new ATOM 0 HD3 LYS A 378 -6.295 1.201 -9.624 1.00 15.00 H new ATOM 0 HE2 LYS A 378 -7.477 -1.248 -8.257 1.00 15.00 H new ATOM 0 HE3 LYS A 378 -7.768 0.404 -7.750 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 -9.467 0.379 -9.152 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 -8.348 0.411 -10.429 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 -8.966 -1.072 -9.878 1.00 15.00 H new ATOM 203 N GLY A 379 -3.459 -1.492 -12.938 1.00 15.00 N ATOM 204 CA GLY A 379 -2.167 -0.913 -13.245 1.00 15.00 C ATOM 205 C GLY A 379 -1.691 -0.041 -12.107 1.00 15.00 C ATOM 206 O GLY A 379 -0.930 0.910 -12.302 1.00 15.00 O ATOM 0 H GLY A 379 -3.424 -2.422 -12.519 1.00 15.00 H new ATOM 0 HA2 GLY A 379 -1.442 -1.706 -13.431 1.00 15.00 H new ATOM 0 HA3 GLY A 379 -2.235 -0.323 -14.159 1.00 15.00 H new ATOM 210 N ARG A 380 -2.152 -0.383 -10.913 1.00 15.00 N ATOM 211 CA ARG A 380 -1.853 0.382 -9.713 1.00 15.00 C ATOM 212 C ARG A 380 -1.667 -0.563 -8.528 1.00 15.00 C ATOM 213 O ARG A 380 -2.554 -1.359 -8.216 1.00 15.00 O ATOM 214 CB ARG A 380 -2.989 1.375 -9.421 1.00 15.00 C ATOM 215 CG ARG A 380 -2.906 2.693 -10.183 1.00 15.00 C ATOM 216 CD ARG A 380 -4.202 3.501 -10.053 1.00 15.00 C ATOM 217 NE ARG A 380 -5.244 3.036 -10.978 1.00 15.00 N ATOM 218 CZ ARG A 380 -5.154 3.060 -12.316 1.00 15.00 C ATOM 219 NH1 ARG A 380 -4.071 3.516 -12.924 1.00 15.00 N1+ ATOM 220 NH2 ARG A 380 -6.167 2.625 -13.046 1.00 15.00 N ATOM 0 H ARG A 380 -2.743 -1.198 -10.749 1.00 15.00 H new ATOM 0 HA ARG A 380 -0.931 0.941 -9.871 1.00 15.00 H new ATOM 0 HB2 ARG A 380 -3.939 0.896 -9.657 1.00 15.00 H new ATOM 0 HB3 ARG A 380 -2.997 1.590 -8.353 1.00 15.00 H new ATOM 0 HG2 ARG A 380 -2.070 3.281 -9.804 1.00 15.00 H new ATOM 0 HG3 ARG A 380 -2.705 2.494 -11.236 1.00 15.00 H new ATOM 0 HD2 ARG A 380 -4.570 3.431 -9.029 1.00 15.00 H new ATOM 0 HD3 ARG A 380 -3.992 4.553 -10.245 1.00 15.00 H new ATOM 0 HE ARG A 380 -6.103 2.666 -10.571 1.00 15.00 H new ATOM 0 HH11 ARG A 380 -3.283 3.858 -12.374 1.00 15.00 H new ATOM 0 HH12 ARG A 380 -4.024 3.525 -13.943 1.00 15.00 H new ATOM 0 HH21 ARG A 380 -7.010 2.274 -12.591 1.00 15.00 H new ATOM 0 HH22 ARG A 380 -6.106 2.640 -14.064 1.00 15.00 H new ATOM 234 N THR A 381 -0.514 -0.489 -7.883 1.00 15.00 N ATOM 235 CA THR A 381 -0.246 -1.310 -6.711 1.00 15.00 C ATOM 236 C THR A 381 -0.133 -0.422 -5.475 1.00 15.00 C ATOM 237 O THR A 381 0.510 0.630 -5.513 1.00 15.00 O ATOM 238 CB THR A 381 1.039 -2.158 -6.889 1.00 15.00 C ATOM 239 OG1 THR A 381 1.263 -2.985 -5.737 1.00 15.00 O ATOM 240 CG2 THR A 381 2.261 -1.282 -7.133 1.00 15.00 C ATOM 0 H THR A 381 0.251 0.130 -8.150 1.00 15.00 H new ATOM 0 HA THR A 381 -1.078 -2.003 -6.584 1.00 15.00 H new ATOM 0 HB THR A 381 0.890 -2.790 -7.765 1.00 15.00 H new ATOM 0 HG1 THR A 381 0.403 -3.219 -5.330 1.00 15.00 H new ATOM 0 HG21 THR A 381 3.142 -1.912 -7.253 1.00 15.00 H new ATOM 0 HG22 THR A 381 2.111 -0.692 -8.037 1.00 15.00 H new ATOM 0 HG23 THR A 381 2.405 -0.614 -6.284 1.00 15.00 H new ATOM 248 N TYR A 382 -0.782 -0.824 -4.389 1.00 15.00 N ATOM 249 CA TYR A 382 -0.821 0.000 -3.195 1.00 15.00 C ATOM 250 C TYR A 382 -0.396 -0.802 -1.976 1.00 15.00 C ATOM 251 O TYR A 382 -0.588 -2.019 -1.918 1.00 15.00 O ATOM 252 CB TYR A 382 -2.223 0.593 -2.997 1.00 15.00 C ATOM 253 CG TYR A 382 -3.191 -0.255 -2.201 1.00 15.00 C ATOM 254 CD1 TYR A 382 -3.672 -1.473 -2.675 1.00 15.00 C ATOM 255 CD2 TYR A 382 -3.638 0.186 -0.968 1.00 15.00 C ATOM 256 CE1 TYR A 382 -4.564 -2.222 -1.930 1.00 15.00 C ATOM 257 CE2 TYR A 382 -4.528 -0.551 -0.223 1.00 15.00 C ATOM 258 CZ TYR A 382 -4.990 -1.755 -0.704 1.00 15.00 C ATOM 259 OH TYR A 382 -5.879 -2.492 0.041 1.00 15.00 O ATOM 0 H TYR A 382 -1.284 -1.709 -4.314 1.00 15.00 H new ATOM 0 HA TYR A 382 -0.117 0.823 -3.321 1.00 15.00 H new ATOM 0 HB2 TYR A 382 -2.122 1.558 -2.500 1.00 15.00 H new ATOM 0 HB3 TYR A 382 -2.658 0.783 -3.978 1.00 15.00 H new ATOM 0 HD1 TYR A 382 -3.344 -1.837 -3.637 1.00 15.00 H new ATOM 0 HD2 TYR A 382 -3.280 1.129 -0.583 1.00 15.00 H new ATOM 0 HE1 TYR A 382 -4.925 -3.168 -2.306 1.00 15.00 H new ATOM 0 HE2 TYR A 382 -4.864 -0.186 0.737 1.00 15.00 H new ATOM 0 HH TYR A 382 -5.491 -3.370 0.239 1.00 15.00 H new ATOM 269 N TYR A 383 0.190 -0.116 -1.012 1.00 15.00 N ATOM 270 CA TYR A 383 0.644 -0.755 0.205 1.00 15.00 C ATOM 271 C TYR A 383 -0.143 -0.196 1.394 1.00 15.00 C ATOM 272 O TYR A 383 -0.338 1.019 1.499 1.00 15.00 O ATOM 273 CB TYR A 383 2.145 -0.523 0.385 1.00 15.00 C ATOM 274 CG TYR A 383 2.952 -0.742 -0.878 1.00 15.00 C ATOM 275 CD1 TYR A 383 3.312 -2.018 -1.296 1.00 15.00 C ATOM 276 CD2 TYR A 383 3.347 0.339 -1.658 1.00 15.00 C ATOM 277 CE1 TYR A 383 4.045 -2.207 -2.453 1.00 15.00 C ATOM 278 CE2 TYR A 383 4.077 0.155 -2.815 1.00 15.00 C ATOM 279 CZ TYR A 383 4.423 -1.118 -3.209 1.00 15.00 C ATOM 280 OH TYR A 383 5.149 -1.302 -4.363 1.00 15.00 O ATOM 0 H TYR A 383 0.362 0.889 -1.051 1.00 15.00 H new ATOM 0 HA TYR A 383 0.471 -1.830 0.145 1.00 15.00 H new ATOM 0 HB2 TYR A 383 2.306 0.496 0.736 1.00 15.00 H new ATOM 0 HB3 TYR A 383 2.516 -1.191 1.163 1.00 15.00 H new ATOM 0 HD1 TYR A 383 3.015 -2.874 -0.708 1.00 15.00 H new ATOM 0 HD2 TYR A 383 3.078 1.340 -1.353 1.00 15.00 H new ATOM 0 HE1 TYR A 383 4.320 -3.204 -2.763 1.00 15.00 H new ATOM 0 HE2 TYR A 383 4.376 1.006 -3.409 1.00 15.00 H new ATOM 0 HH TYR A 383 5.332 -0.433 -4.776 1.00 15.00 H new ATOM 290 N VAL A 384 -0.584 -1.074 2.287 1.00 15.00 N ATOM 291 CA VAL A 384 -1.453 -0.679 3.393 1.00 15.00 C ATOM 292 C VAL A 384 -0.733 -0.771 4.720 1.00 15.00 C ATOM 293 O VAL A 384 -0.370 -1.860 5.149 1.00 15.00 O ATOM 294 CB VAL A 384 -2.677 -1.592 3.480 1.00 15.00 C ATOM 295 CG1 VAL A 384 -3.939 -0.776 3.605 1.00 15.00 C ATOM 296 CG2 VAL A 384 -2.734 -2.521 2.290 1.00 15.00 C ATOM 0 H VAL A 384 -0.354 -2.068 2.268 1.00 15.00 H new ATOM 0 HA VAL A 384 -1.753 0.350 3.197 1.00 15.00 H new ATOM 0 HB VAL A 384 -2.590 -2.207 4.376 1.00 15.00 H new ATOM 0 HG11 VAL A 384 -4.799 -1.443 3.666 1.00 15.00 H new ATOM 0 HG12 VAL A 384 -3.889 -0.165 4.506 1.00 15.00 H new ATOM 0 HG13 VAL A 384 -4.042 -0.129 2.734 1.00 15.00 H new ATOM 0 HG21 VAL A 384 -3.612 -3.162 2.371 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -2.796 -1.935 1.373 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -1.835 -3.137 2.266 1.00 15.00 H new ATOM 306 N ASN A 385 -0.560 0.345 5.401 1.00 15.00 N ATOM 307 CA ASN A 385 0.197 0.333 6.636 1.00 15.00 C ATOM 308 C ASN A 385 -0.714 0.191 7.856 1.00 15.00 C ATOM 309 O ASN A 385 -1.588 1.026 8.062 1.00 15.00 O ATOM 310 CB ASN A 385 0.993 1.620 6.799 1.00 15.00 C ATOM 311 CG ASN A 385 1.871 1.565 8.030 1.00 15.00 C ATOM 312 OD1 ASN A 385 2.281 0.361 8.404 1.00 15.00 O flip ATOM 313 ND2 ASN A 385 2.173 2.579 8.640 1.00 15.00 N flip ATOM 0 H ASN A 385 -0.926 1.256 5.126 1.00 15.00 H new ATOM 0 HA ASN A 385 0.868 -0.524 6.577 1.00 15.00 H new ATOM 0 HB2 ASN A 385 1.610 1.784 5.916 1.00 15.00 H new ATOM 0 HB3 ASN A 385 0.310 2.467 6.873 1.00 15.00 H new ATOM 0 HD21 ASN A 385 1.836 3.487 8.319 1.00 15.00 H new ATOM 0 HD22 ASN A 385 2.762 2.518 9.471 1.00 15.00 H new ATOM 320 N HIS A 386 -0.487 -0.826 8.695 1.00 15.00 N ATOM 321 CA HIS A 386 -1.331 -1.049 9.875 1.00 15.00 C ATOM 322 C HIS A 386 -0.820 -0.201 11.016 1.00 15.00 C ATOM 323 O HIS A 386 -1.486 0.003 12.023 1.00 15.00 O ATOM 324 CB HIS A 386 -1.335 -2.532 10.302 1.00 15.00 C ATOM 325 CG HIS A 386 -1.136 -3.455 9.152 1.00 15.00 C ATOM 326 ND1 HIS A 386 -1.454 -3.071 7.881 1.00 15.00 N ATOM 327 CD2 HIS A 386 -0.484 -4.631 9.036 1.00 15.00 C ATOM 328 CE1 HIS A 386 -0.994 -3.933 7.035 1.00 15.00 C ATOM 329 NE2 HIS A 386 -0.408 -4.908 7.698 1.00 15.00 N ATOM 0 H HIS A 386 0.268 -1.503 8.581 1.00 15.00 H new ATOM 0 HA HIS A 386 -2.353 -0.771 9.619 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -0.548 -2.697 11.037 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -2.281 -2.764 10.791 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -0.097 -5.236 9.843 1.00 15.00 H new ATOM 0 HE1 HIS A 386 -1.077 -3.865 5.960 1.00 15.00 H new ATOM 0 HE2 HIS A 386 0.029 -5.731 7.284 1.00 15.00 H new ATOM 338 N ASN A 387 0.385 0.281 10.820 1.00 15.00 N ATOM 339 CA ASN A 387 1.143 0.952 11.844 1.00 15.00 C ATOM 340 C ASN A 387 0.790 2.439 11.907 1.00 15.00 C ATOM 341 O ASN A 387 0.932 3.080 12.947 1.00 15.00 O ATOM 342 CB ASN A 387 2.617 0.735 11.516 1.00 15.00 C ATOM 343 CG ASN A 387 3.560 1.267 12.581 1.00 15.00 C ATOM 344 OD1 ASN A 387 3.990 2.419 12.531 1.00 15.00 O ATOM 345 ND2 ASN A 387 3.898 0.426 13.544 1.00 15.00 N ATOM 0 H ASN A 387 0.873 0.215 9.927 1.00 15.00 H new ATOM 0 HA ASN A 387 0.910 0.547 12.829 1.00 15.00 H new ATOM 0 HB2 ASN A 387 2.798 -0.331 11.382 1.00 15.00 H new ATOM 0 HB3 ASN A 387 2.845 1.219 10.566 1.00 15.00 H new ATOM 0 HD21 ASN A 387 4.537 0.725 14.281 1.00 15.00 H new ATOM 0 HD22 ASN A 387 3.520 -0.521 13.550 1.00 15.00 H new ATOM 352 N ASN A 388 0.344 2.985 10.778 1.00 15.00 N ATOM 353 CA ASN A 388 -0.070 4.386 10.710 1.00 15.00 C ATOM 354 C ASN A 388 -1.534 4.504 10.287 1.00 15.00 C ATOM 355 O ASN A 388 -2.137 5.569 10.415 1.00 15.00 O ATOM 356 CB ASN A 388 0.835 5.174 9.749 1.00 15.00 C ATOM 357 CG ASN A 388 0.545 6.669 9.742 1.00 15.00 C ATOM 358 OD1 ASN A 388 1.033 7.411 10.594 1.00 15.00 O ATOM 359 ND2 ASN A 388 -0.229 7.127 8.768 1.00 15.00 N ATOM 0 H ASN A 388 0.260 2.479 9.897 1.00 15.00 H new ATOM 0 HA ASN A 388 0.030 4.815 11.707 1.00 15.00 H new ATOM 0 HB2 ASN A 388 1.877 5.014 10.028 1.00 15.00 H new ATOM 0 HB3 ASN A 388 0.711 4.782 8.740 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -0.437 8.124 8.708 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -0.616 6.483 8.079 1.00 15.00 H new ATOM 366 N ARG A 389 -2.091 3.401 9.763 1.00 15.00 N ATOM 367 CA ARG A 389 -3.469 3.374 9.257 1.00 15.00 C ATOM 368 C ARG A 389 -3.566 4.099 7.919 1.00 15.00 C ATOM 369 O ARG A 389 -4.087 5.208 7.843 1.00 15.00 O ATOM 370 CB ARG A 389 -4.485 3.962 10.258 1.00 15.00 C ATOM 371 CG ARG A 389 -4.824 3.058 11.438 1.00 15.00 C ATOM 372 CD ARG A 389 -3.665 2.907 12.414 1.00 15.00 C ATOM 373 NE ARG A 389 -3.977 1.963 13.485 1.00 15.00 N ATOM 374 CZ ARG A 389 -3.092 1.519 14.376 1.00 15.00 C ATOM 375 NH1 ARG A 389 -1.847 1.989 14.382 1.00 15.00 N1+ ATOM 376 NH2 ARG A 389 -3.469 0.625 15.281 1.00 15.00 N ATOM 0 H ARG A 389 -1.602 2.510 9.679 1.00 15.00 H new ATOM 0 HA ARG A 389 -3.729 2.325 9.118 1.00 15.00 H new ATOM 0 HB2 ARG A 389 -4.091 4.903 10.642 1.00 15.00 H new ATOM 0 HB3 ARG A 389 -5.405 4.196 9.723 1.00 15.00 H new ATOM 0 HG2 ARG A 389 -5.687 3.464 11.965 1.00 15.00 H new ATOM 0 HG3 ARG A 389 -5.111 2.074 11.066 1.00 15.00 H new ATOM 0 HD2 ARG A 389 -2.779 2.568 11.877 1.00 15.00 H new ATOM 0 HD3 ARG A 389 -3.424 3.879 12.845 1.00 15.00 H new ATOM 0 HE ARG A 389 -4.936 1.622 13.555 1.00 15.00 H new ATOM 0 HH11 ARG A 389 -1.565 2.694 13.701 1.00 15.00 H new ATOM 0 HH12 ARG A 389 -1.175 1.644 15.067 1.00 15.00 H new ATOM 0 HH21 ARG A 389 -4.430 0.283 15.291 1.00 15.00 H new ATOM 0 HH22 ARG A 389 -2.798 0.280 15.967 1.00 15.00 H new ATOM 390 N THR A 390 -2.999 3.507 6.866 1.00 15.00 N ATOM 391 CA THR A 390 -2.918 4.203 5.587 1.00 15.00 C ATOM 392 C THR A 390 -3.036 3.261 4.364 1.00 15.00 C ATOM 393 O THR A 390 -2.595 2.112 4.419 1.00 15.00 O ATOM 394 CB THR A 390 -1.578 4.983 5.525 1.00 15.00 C ATOM 395 OG1 THR A 390 -1.618 6.088 6.439 1.00 15.00 O ATOM 396 CG2 THR A 390 -1.240 5.476 4.121 1.00 15.00 C ATOM 0 H THR A 390 -2.598 2.569 6.874 1.00 15.00 H new ATOM 0 HA THR A 390 -3.769 4.881 5.532 1.00 15.00 H new ATOM 0 HB THR A 390 -0.789 4.287 5.811 1.00 15.00 H new ATOM 0 HG1 THR A 390 -0.939 6.747 6.185 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.292 6.014 4.143 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.159 4.624 3.446 1.00 15.00 H new ATOM 0 HG23 THR A 390 -2.028 6.143 3.770 1.00 15.00 H new ATOM 404 N THR A 391 -3.638 3.768 3.266 1.00 15.00 N ATOM 405 CA THR A 391 -3.707 3.073 1.987 1.00 15.00 C ATOM 406 C THR A 391 -3.205 4.020 0.883 1.00 15.00 C ATOM 407 O THR A 391 -3.835 5.045 0.618 1.00 15.00 O ATOM 408 CB THR A 391 -5.160 2.646 1.673 1.00 15.00 C ATOM 409 OG1 THR A 391 -5.305 2.366 0.280 1.00 15.00 O ATOM 410 CG2 THR A 391 -6.153 3.726 2.083 1.00 15.00 C ATOM 0 H THR A 391 -4.091 4.682 3.255 1.00 15.00 H new ATOM 0 HA THR A 391 -3.087 2.178 2.034 1.00 15.00 H new ATOM 0 HB THR A 391 -5.373 1.745 2.248 1.00 15.00 H new ATOM 0 HG1 THR A 391 -4.953 1.472 0.088 1.00 15.00 H new ATOM 0 HG21 THR A 391 -7.166 3.397 1.850 1.00 15.00 H new ATOM 0 HG22 THR A 391 -6.069 3.910 3.154 1.00 15.00 H new ATOM 0 HG23 THR A 391 -5.936 4.645 1.539 1.00 15.00 H new ATOM 418 N THR A 392 -2.062 3.729 0.264 1.00 15.00 N ATOM 419 CA THR A 392 -1.463 4.709 -0.635 1.00 15.00 C ATOM 420 C THR A 392 -0.649 4.081 -1.772 1.00 15.00 C ATOM 421 O THR A 392 -0.114 2.978 -1.633 1.00 15.00 O ATOM 422 CB THR A 392 -0.581 5.687 0.162 1.00 15.00 C ATOM 423 OG1 THR A 392 -0.166 6.773 -0.674 1.00 15.00 O ATOM 424 CG2 THR A 392 0.644 4.989 0.741 1.00 15.00 C ATOM 0 H THR A 392 -1.548 2.854 0.363 1.00 15.00 H new ATOM 0 HA THR A 392 -2.291 5.242 -1.103 1.00 15.00 H new ATOM 0 HB THR A 392 -1.178 6.071 0.989 1.00 15.00 H new ATOM 0 HG1 THR A 392 0.270 7.459 -0.127 1.00 15.00 H new ATOM 0 HG21 THR A 392 1.244 5.709 1.297 1.00 15.00 H new ATOM 0 HG22 THR A 392 0.325 4.189 1.409 1.00 15.00 H new ATOM 0 HG23 THR A 392 1.240 4.569 -0.069 1.00 15.00 H new ATOM 432 N TRP A 393 -0.599 4.784 -2.915 1.00 15.00 N ATOM 433 CA TRP A 393 0.326 4.434 -3.997 1.00 15.00 C ATOM 434 C TRP A 393 1.747 4.823 -3.606 1.00 15.00 C ATOM 435 O TRP A 393 2.722 4.327 -4.175 1.00 15.00 O ATOM 436 CB TRP A 393 0.016 5.181 -5.306 1.00 15.00 C ATOM 437 CG TRP A 393 -1.382 5.063 -5.836 1.00 15.00 C ATOM 438 CD1 TRP A 393 -2.144 6.087 -6.321 1.00 15.00 C ATOM 439 CD2 TRP A 393 -2.174 3.879 -5.965 1.00 15.00 C ATOM 440 NE1 TRP A 393 -3.359 5.613 -6.742 1.00 15.00 N ATOM 441 CE2 TRP A 393 -3.403 4.261 -6.529 1.00 15.00 C ATOM 442 CE3 TRP A 393 -1.968 2.536 -5.658 1.00 15.00 C ATOM 443 CZ2 TRP A 393 -4.416 3.348 -6.792 1.00 15.00 C ATOM 444 CZ3 TRP A 393 -2.978 1.630 -5.919 1.00 15.00 C ATOM 445 CH2 TRP A 393 -4.188 2.038 -6.480 1.00 15.00 C ATOM 0 H TRP A 393 -1.187 5.594 -3.110 1.00 15.00 H new ATOM 0 HA TRP A 393 0.217 3.361 -4.155 1.00 15.00 H new ATOM 0 HB2 TRP A 393 0.234 6.238 -5.154 1.00 15.00 H new ATOM 0 HB3 TRP A 393 0.702 4.822 -6.073 1.00 15.00 H new ATOM 0 HD1 TRP A 393 -1.834 7.121 -6.366 1.00 15.00 H new ATOM 0 HE1 TRP A 393 -4.108 6.175 -7.147 1.00 15.00 H new ATOM 0 HE3 TRP A 393 -1.035 2.209 -5.224 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 -5.352 3.663 -7.228 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 -2.828 0.587 -5.684 1.00 15.00 H new ATOM 0 HH2 TRP A 393 -4.958 1.305 -6.671 1.00 15.00 H new ATOM 456 N THR A 394 1.850 5.741 -2.653 1.00 15.00 N ATOM 457 CA THR A 394 3.122 6.350 -2.309 1.00 15.00 C ATOM 458 C THR A 394 4.032 5.341 -1.618 1.00 15.00 C ATOM 459 O THR A 394 3.570 4.482 -0.866 1.00 15.00 O ATOM 460 CB THR A 394 2.904 7.581 -1.405 1.00 15.00 C ATOM 461 OG1 THR A 394 1.913 8.433 -1.996 1.00 15.00 O ATOM 462 CG2 THR A 394 4.193 8.367 -1.221 1.00 15.00 C ATOM 0 H THR A 394 1.060 6.080 -2.103 1.00 15.00 H new ATOM 0 HA THR A 394 3.605 6.676 -3.230 1.00 15.00 H new ATOM 0 HB THR A 394 2.572 7.232 -0.427 1.00 15.00 H new ATOM 0 HG1 THR A 394 1.019 8.108 -1.759 1.00 15.00 H new ATOM 0 HG21 THR A 394 4.006 9.228 -0.579 1.00 15.00 H new ATOM 0 HG22 THR A 394 4.946 7.728 -0.760 1.00 15.00 H new ATOM 0 HG23 THR A 394 4.552 8.709 -2.192 1.00 15.00 H new ATOM 470 N ARG A 395 5.325 5.439 -1.891 1.00 15.00 N ATOM 471 CA ARG A 395 6.278 4.463 -1.393 1.00 15.00 C ATOM 472 C ARG A 395 6.457 4.581 0.113 1.00 15.00 C ATOM 473 O ARG A 395 6.556 5.682 0.663 1.00 15.00 O ATOM 474 CB ARG A 395 7.615 4.599 -2.119 1.00 15.00 C ATOM 475 CG ARG A 395 7.521 4.280 -3.602 1.00 15.00 C ATOM 476 CD ARG A 395 6.724 3.007 -3.846 1.00 15.00 C ATOM 477 NE ARG A 395 6.720 2.631 -5.263 1.00 15.00 N ATOM 478 CZ ARG A 395 5.626 2.281 -5.952 1.00 15.00 C ATOM 479 NH1 ARG A 395 4.429 2.298 -5.376 1.00 15.00 N1+ ATOM 480 NH2 ARG A 395 5.731 1.941 -7.231 1.00 15.00 N ATOM 0 H ARG A 395 5.736 6.184 -2.454 1.00 15.00 H new ATOM 0 HA ARG A 395 5.879 3.469 -1.597 1.00 15.00 H new ATOM 0 HB2 ARG A 395 7.988 5.616 -1.995 1.00 15.00 H new ATOM 0 HB3 ARG A 395 8.343 3.934 -1.655 1.00 15.00 H new ATOM 0 HG2 ARG A 395 7.050 5.112 -4.126 1.00 15.00 H new ATOM 0 HG3 ARG A 395 8.523 4.169 -4.016 1.00 15.00 H new ATOM 0 HD2 ARG A 395 7.147 2.194 -3.255 1.00 15.00 H new ATOM 0 HD3 ARG A 395 5.699 3.149 -3.505 1.00 15.00 H new ATOM 0 HE ARG A 395 7.612 2.636 -5.758 1.00 15.00 H new ATOM 0 HH11 ARG A 395 4.337 2.580 -4.400 1.00 15.00 H new ATOM 0 HH12 ARG A 395 3.602 2.030 -5.910 1.00 15.00 H new ATOM 0 HH21 ARG A 395 6.643 1.947 -7.687 1.00 15.00 H new ATOM 0 HH22 ARG A 395 4.899 1.674 -7.758 1.00 15.00 H new ATOM 494 N PRO A 396 6.529 3.426 0.784 1.00 15.00 N ATOM 495 CA PRO A 396 6.563 3.339 2.247 1.00 15.00 C ATOM 496 C PRO A 396 7.862 3.856 2.854 1.00 15.00 C ATOM 497 O PRO A 396 8.953 3.398 2.520 1.00 15.00 O ATOM 498 CB PRO A 396 6.435 1.833 2.507 1.00 15.00 C ATOM 499 CG PRO A 396 5.889 1.272 1.247 1.00 15.00 C ATOM 500 CD PRO A 396 6.520 2.091 0.171 1.00 15.00 C ATOM 0 HA PRO A 396 5.781 3.951 2.698 1.00 15.00 H new ATOM 0 HB2 PRO A 396 7.401 1.391 2.750 1.00 15.00 H new ATOM 0 HB3 PRO A 396 5.772 1.633 3.349 1.00 15.00 H new ATOM 0 HG2 PRO A 396 6.139 0.216 1.141 1.00 15.00 H new ATOM 0 HG3 PRO A 396 4.802 1.347 1.217 1.00 15.00 H new ATOM 0 HD2 PRO A 396 7.525 1.745 -0.072 1.00 15.00 H new ATOM 0 HD3 PRO A 396 5.943 2.068 -0.753 1.00 15.00 H new ATOM 508 N ILE A 397 7.718 4.812 3.759 1.00 15.00 N ATOM 509 CA ILE A 397 8.848 5.395 4.471 1.00 15.00 C ATOM 510 C ILE A 397 9.229 4.516 5.670 1.00 15.00 C ATOM 511 O ILE A 397 10.279 4.693 6.283 1.00 15.00 O ATOM 512 CB ILE A 397 8.514 6.833 4.944 1.00 15.00 C ATOM 513 CG1 ILE A 397 9.744 7.508 5.566 1.00 15.00 C ATOM 514 CG2 ILE A 397 7.358 6.812 5.935 1.00 15.00 C ATOM 515 CD1 ILE A 397 9.499 8.933 6.008 1.00 15.00 C ATOM 0 H ILE A 397 6.815 5.207 4.022 1.00 15.00 H new ATOM 0 HA ILE A 397 9.696 5.447 3.788 1.00 15.00 H new ATOM 0 HB ILE A 397 8.215 7.415 4.072 1.00 15.00 H new ATOM 0 HG12 ILE A 397 10.073 6.923 6.425 1.00 15.00 H new ATOM 0 HG13 ILE A 397 10.558 7.497 4.842 1.00 15.00 H new ATOM 0 HG21 ILE A 397 7.136 7.829 6.257 1.00 15.00 H new ATOM 0 HG22 ILE A 397 6.477 6.383 5.458 1.00 15.00 H new ATOM 0 HG23 ILE A 397 7.632 6.209 6.801 1.00 15.00 H new ATOM 0 HD11 ILE A 397 10.413 9.343 6.437 1.00 15.00 H new ATOM 0 HD12 ILE A 397 9.200 9.534 5.149 1.00 15.00 H new ATOM 0 HD13 ILE A 397 8.707 8.951 6.757 1.00 15.00 H new ATOM 527 N MET A 398 8.373 3.533 5.967 1.00 15.00 N ATOM 528 CA MET A 398 8.492 2.708 7.184 1.00 15.00 C ATOM 529 C MET A 398 9.644 1.788 7.191 1.00 15.00 C ATOM 530 O MET A 398 10.022 1.106 8.140 1.00 15.00 O ATOM 531 CB MET A 398 7.186 2.048 7.627 1.00 15.00 C ATOM 532 CG MET A 398 6.045 3.026 7.837 1.00 15.00 C ATOM 533 SD MET A 398 6.399 4.261 9.101 1.00 15.00 S ATOM 534 CE MET A 398 4.867 5.193 9.101 1.00 15.00 C ATOM 0 H MET A 398 7.580 3.284 5.376 1.00 15.00 H new ATOM 0 HA MET A 398 8.717 3.437 7.963 1.00 15.00 H new ATOM 0 HB2 MET A 398 6.889 1.313 6.878 1.00 15.00 H new ATOM 0 HB3 MET A 398 7.361 1.504 8.555 1.00 15.00 H new ATOM 0 HG2 MET A 398 5.828 3.530 6.895 1.00 15.00 H new ATOM 0 HG3 MET A 398 5.148 2.474 8.117 1.00 15.00 H new ATOM 0 HE1 MET A 398 5.077 6.239 9.325 1.00 15.00 H new ATOM 0 HE2 MET A 398 4.396 5.119 8.121 1.00 15.00 H new ATOM 0 HE3 MET A 398 4.195 4.788 9.858 1.00 15.00 H new ATOM 544 N GLN A 399 10.121 1.850 6.091 1.00 15.00 N ATOM 545 CA GLN A 399 11.187 1.001 5.577 1.00 15.00 C ATOM 546 C GLN A 399 12.549 1.571 5.980 1.00 15.00 C ATOM 547 O GLN A 399 13.585 0.918 5.834 1.00 15.00 O ATOM 548 CB GLN A 399 11.087 0.879 4.054 1.00 15.00 C ATOM 549 CG GLN A 399 12.062 -0.123 3.452 1.00 15.00 C ATOM 550 CD GLN A 399 11.993 -0.175 1.938 1.00 15.00 C ATOM 551 OE1 GLN A 399 12.303 -1.328 1.369 1.00 15.00 O flip ATOM 552 NE2 GLN A 399 11.675 0.816 1.285 1.00 15.00 N flip ATOM 0 H GLN A 399 9.801 2.532 5.404 1.00 15.00 H new ATOM 0 HA GLN A 399 11.082 0.005 6.007 1.00 15.00 H new ATOM 0 HB2 GLN A 399 10.071 0.588 3.788 1.00 15.00 H new ATOM 0 HB3 GLN A 399 11.265 1.858 3.608 1.00 15.00 H new ATOM 0 HG2 GLN A 399 13.076 0.136 3.756 1.00 15.00 H new ATOM 0 HG3 GLN A 399 11.852 -1.114 3.855 1.00 15.00 H new ATOM 0 HE21 GLN A 399 11.443 1.688 1.761 1.00 15.00 H new ATOM 0 HE22 GLN A 399 11.643 0.767 0.267 1.00 15.00 H new ATOM 561 N LEU A 400 12.540 2.797 6.483 1.00 15.00 N ATOM 562 CA LEU A 400 13.758 3.450 6.929 1.00 15.00 C ATOM 563 C LEU A 400 13.894 3.322 8.440 1.00 15.00 C ATOM 564 O LEU A 400 14.728 2.513 8.899 1.00 15.00 O ATOM 565 CB LEU A 400 13.753 4.927 6.525 1.00 15.00 C ATOM 566 CG LEU A 400 13.663 5.194 5.020 1.00 15.00 C ATOM 567 CD1 LEU A 400 13.635 6.689 4.740 1.00 15.00 C ATOM 568 CD2 LEU A 400 14.824 4.534 4.291 1.00 15.00 C ATOM 569 OXT LEU A 400 13.146 4.013 9.168 1.00 15.00 O ATOM 0 H LEU A 400 11.697 3.361 6.592 1.00 15.00 H new ATOM 0 HA LEU A 400 14.609 2.963 6.453 1.00 15.00 H new ATOM 0 HB2 LEU A 400 12.912 5.418 7.015 1.00 15.00 H new ATOM 0 HB3 LEU A 400 14.661 5.394 6.906 1.00 15.00 H new ATOM 0 HG LEU A 400 12.734 4.761 4.650 1.00 15.00 H new ATOM 0 HD11 LEU A 400 13.571 6.857 3.665 1.00 15.00 H new ATOM 0 HD12 LEU A 400 12.769 7.135 5.229 1.00 15.00 H new ATOM 0 HD13 LEU A 400 14.545 7.148 5.125 1.00 15.00 H new ATOM 0 HD21 LEU A 400 14.744 4.734 3.223 1.00 15.00 H new ATOM 0 HD22 LEU A 400 15.765 4.936 4.666 1.00 15.00 H new ATOM 0 HD23 LEU A 400 14.796 3.458 4.462 1.00 15.00 H new TER 581 LEU A 400 ATOM 582 N GLU B 178 -5.348 7.742 -13.258 1.00 15.00 N ATOM 583 CA GLU B 178 -5.268 6.717 -12.189 1.00 15.00 C ATOM 584 C GLU B 178 -6.495 6.795 -11.290 1.00 15.00 C ATOM 585 O GLU B 178 -6.746 7.839 -10.685 1.00 15.00 O ATOM 586 CB GLU B 178 -4.028 6.945 -11.310 1.00 15.00 C ATOM 587 CG GLU B 178 -2.733 7.150 -12.076 1.00 15.00 C ATOM 588 CD GLU B 178 -2.375 5.971 -12.944 1.00 15.00 C ATOM 589 OE1 GLU B 178 -1.864 4.964 -12.406 1.00 15.00 O1- ATOM 590 OE2 GLU B 178 -2.624 6.036 -14.161 1.00 15.00 O ATOM 0 HA GLU B 178 -5.210 5.742 -12.672 1.00 15.00 H new ATOM 0 HB2 GLU B 178 -4.202 7.817 -10.679 1.00 15.00 H new ATOM 0 HB3 GLU B 178 -3.909 6.089 -10.645 1.00 15.00 H new ATOM 0 HG2 GLU B 178 -2.822 8.040 -12.699 1.00 15.00 H new ATOM 0 HG3 GLU B 178 -1.924 7.334 -11.370 1.00 15.00 H new HETATM 599 N TPO B 179 -7.269 5.718 -11.199 1.00 15.00 N HETATM 600 CA TPO B 179 -8.317 5.663 -10.197 1.00 15.00 C HETATM 601 CB TPO B 179 -9.526 4.845 -10.684 1.00 15.00 C HETATM 602 CG2 TPO B 179 -10.658 5.757 -11.121 1.00 15.00 C HETATM 603 OG1 TPO B 179 -9.144 3.999 -11.775 1.00 15.00 O HETATM 604 P TPO B 179 -9.062 2.387 -11.667 1.00 15.00 P HETATM 605 O1P TPO B 179 -7.798 2.034 -11.037 1.00 15.00 O HETATM 606 O2P TPO B 179 -10.175 1.901 -10.861 1.00 15.00 O HETATM 607 O3P TPO B 179 -9.121 1.820 -13.017 1.00 15.00 O HETATM 608 C TPO B 179 -7.750 5.061 -8.914 1.00 15.00 C HETATM 609 O TPO B 179 -7.248 3.937 -8.913 1.00 15.00 O HETATM 0 HG23 TPO B 179 -10.971 6.377 -10.281 1.00 15.00 H new HETATM 0 HG22 TPO B 179 -10.317 6.396 -11.936 1.00 15.00 H new HETATM 0 HG21 TPO B 179 -11.500 5.154 -11.461 1.00 15.00 H new HETATM 0 HB TPO B 179 -9.873 4.231 -9.853 1.00 15.00 H new HETATM 0 HA TPO B 179 -8.669 6.677 -10.007 1.00 15.00 H new HETATM 0 H TPO B 179 -7.394 5.245 -12.094 1.00 15.00 H new ATOM 616 N PRO B 180 -7.781 5.831 -7.818 1.00 15.00 N ATOM 617 CA PRO B 180 -7.217 5.450 -6.530 1.00 15.00 C ATOM 618 C PRO B 180 -7.452 4.124 -5.863 1.00 15.00 C ATOM 619 O PRO B 180 -8.292 3.296 -6.220 1.00 15.00 O ATOM 620 CB PRO B 180 -7.800 6.534 -5.643 1.00 15.00 C ATOM 621 CG PRO B 180 -7.296 7.601 -6.441 1.00 15.00 C ATOM 622 CD PRO B 180 -7.985 7.298 -7.764 1.00 15.00 C ATOM 0 HA PRO B 180 -6.145 5.342 -6.697 1.00 15.00 H new ATOM 0 HB2 PRO B 180 -8.888 6.510 -5.573 1.00 15.00 H new ATOM 0 HB3 PRO B 180 -7.415 6.525 -4.623 1.00 15.00 H new ATOM 0 HG2 PRO B 180 -7.567 8.580 -6.046 1.00 15.00 H new ATOM 0 HG3 PRO B 180 -6.209 7.581 -6.524 1.00 15.00 H new ATOM 0 HD2 PRO B 180 -9.039 7.574 -7.760 1.00 15.00 H new ATOM 0 HD3 PRO B 180 -7.523 7.816 -8.605 1.00 15.00 H new ATOM 630 N PRO B 181 -6.622 4.011 -4.804 1.00 15.00 N ATOM 631 CA PRO B 181 -6.454 2.838 -3.946 1.00 15.00 C ATOM 632 C PRO B 181 -7.736 2.309 -3.319 1.00 15.00 C ATOM 633 O PRO B 181 -8.664 3.059 -3.005 1.00 15.00 O ATOM 634 CB PRO B 181 -5.538 3.366 -2.827 1.00 15.00 C ATOM 635 CG PRO B 181 -5.609 4.855 -2.928 1.00 15.00 C ATOM 636 CD PRO B 181 -5.751 5.133 -4.347 1.00 15.00 C ATOM 0 HA PRO B 181 -6.073 1.999 -4.528 1.00 15.00 H new ATOM 0 HB2 PRO B 181 -5.874 3.022 -1.849 1.00 15.00 H new ATOM 0 HB3 PRO B 181 -4.515 3.011 -2.956 1.00 15.00 H new ATOM 0 HG2 PRO B 181 -6.454 5.248 -2.363 1.00 15.00 H new ATOM 0 HG3 PRO B 181 -4.710 5.321 -2.523 1.00 15.00 H new ATOM 0 HD2 PRO B 181 -6.211 6.105 -4.527 1.00 15.00 H new ATOM 0 HD3 PRO B 181 -4.789 5.136 -4.859 1.00 15.00 H new ATOM 644 N PRO B 182 -7.751 0.993 -3.090 1.00 15.00 N ATOM 645 CA PRO B 182 -8.739 0.326 -2.239 1.00 15.00 C ATOM 646 C PRO B 182 -8.500 0.706 -0.777 1.00 15.00 C ATOM 647 O PRO B 182 -7.367 1.005 -0.410 1.00 15.00 O ATOM 648 CB PRO B 182 -8.462 -1.172 -2.459 1.00 15.00 C ATOM 649 CG PRO B 182 -7.564 -1.243 -3.650 1.00 15.00 C ATOM 650 CD PRO B 182 -6.803 0.041 -3.674 1.00 15.00 C ATOM 0 HA PRO B 182 -9.767 0.600 -2.475 1.00 15.00 H new ATOM 0 HB2 PRO B 182 -7.988 -1.616 -1.584 1.00 15.00 H new ATOM 0 HB3 PRO B 182 -9.388 -1.721 -2.633 1.00 15.00 H new ATOM 0 HG2 PRO B 182 -6.888 -2.095 -3.578 1.00 15.00 H new ATOM 0 HG3 PRO B 182 -8.141 -1.371 -4.566 1.00 15.00 H new ATOM 0 HD2 PRO B 182 -5.884 -0.023 -3.092 1.00 15.00 H new ATOM 0 HD3 PRO B 182 -6.519 0.324 -4.688 1.00 15.00 H new ATOM 658 N GLY B 183 -9.562 0.724 0.029 1.00 15.00 N ATOM 659 CA GLY B 183 -9.473 1.193 1.416 1.00 15.00 C ATOM 660 C GLY B 183 -8.362 0.540 2.243 1.00 15.00 C ATOM 661 O GLY B 183 -7.681 -0.376 1.789 1.00 15.00 O ATOM 0 H GLY B 183 -10.494 0.420 -0.253 1.00 15.00 H new ATOM 0 HA2 GLY B 183 -9.317 2.272 1.411 1.00 15.00 H new ATOM 0 HA3 GLY B 183 -10.428 1.011 1.908 1.00 15.00 H new ATOM 665 N TYR B 184 -8.222 0.977 3.492 1.00 15.00 N ATOM 666 CA TYR B 184 -7.099 0.560 4.324 1.00 15.00 C ATOM 667 C TYR B 184 -7.400 -0.727 5.130 1.00 15.00 C ATOM 668 O TYR B 184 -8.360 -0.777 5.901 1.00 15.00 O ATOM 669 CB TYR B 184 -6.661 1.717 5.253 1.00 15.00 C ATOM 670 CG TYR B 184 -6.083 1.267 6.576 1.00 15.00 C ATOM 671 CD1 TYR B 184 -4.819 0.705 6.661 1.00 15.00 C ATOM 672 CD2 TYR B 184 -6.825 1.396 7.745 1.00 15.00 C ATOM 673 CE1 TYR B 184 -4.309 0.287 7.873 1.00 15.00 C ATOM 674 CE2 TYR B 184 -6.322 0.980 8.960 1.00 15.00 C ATOM 675 CZ TYR B 184 -5.062 0.427 9.019 1.00 15.00 C ATOM 676 OH TYR B 184 -4.552 0.014 10.229 1.00 15.00 O ATOM 0 H TYR B 184 -8.871 1.618 3.948 1.00 15.00 H new ATOM 0 HA TYR B 184 -6.273 0.315 3.656 1.00 15.00 H new ATOM 0 HB2 TYR B 184 -5.920 2.324 4.733 1.00 15.00 H new ATOM 0 HB3 TYR B 184 -7.521 2.359 5.445 1.00 15.00 H new ATOM 0 HD1 TYR B 184 -4.225 0.593 5.766 1.00 15.00 H new ATOM 0 HD2 TYR B 184 -7.813 1.830 7.701 1.00 15.00 H new ATOM 0 HE1 TYR B 184 -3.322 -0.149 7.924 1.00 15.00 H new ATOM 0 HE2 TYR B 184 -6.912 1.087 9.858 1.00 15.00 H new ATOM 0 HH TYR B 184 -5.232 -0.502 10.712 1.00 15.00 H new ATOM 686 N LEU B 185 -6.557 -1.761 4.926 1.00 15.00 N ATOM 687 CA LEU B 185 -6.649 -3.042 5.614 1.00 15.00 C ATOM 688 C LEU B 185 -7.906 -3.809 5.326 1.00 15.00 C ATOM 689 O LEU B 185 -8.811 -3.943 6.152 1.00 15.00 O ATOM 690 CB LEU B 185 -6.360 -2.965 7.104 1.00 15.00 C ATOM 691 CG LEU B 185 -4.906 -3.175 7.446 1.00 15.00 C ATOM 692 CD1 LEU B 185 -4.677 -2.985 8.935 1.00 15.00 C ATOM 693 CD2 LEU B 185 -4.462 -4.563 7.013 1.00 15.00 C ATOM 0 H LEU B 185 -5.783 -1.716 4.264 1.00 15.00 H new ATOM 0 HA LEU B 185 -5.838 -3.623 5.175 1.00 15.00 H new ATOM 0 HB2 LEU B 185 -6.676 -1.991 7.478 1.00 15.00 H new ATOM 0 HB3 LEU B 185 -6.959 -3.714 7.622 1.00 15.00 H new ATOM 0 HG LEU B 185 -4.311 -2.435 6.911 1.00 15.00 H new ATOM 0 HD11 LEU B 185 -3.623 -3.140 9.164 1.00 15.00 H new ATOM 0 HD12 LEU B 185 -4.965 -1.974 9.221 1.00 15.00 H new ATOM 0 HD13 LEU B 185 -5.279 -3.705 9.490 1.00 15.00 H new ATOM 0 HD21 LEU B 185 -3.411 -4.704 7.265 1.00 15.00 H new ATOM 0 HD22 LEU B 185 -5.062 -5.314 7.527 1.00 15.00 H new ATOM 0 HD23 LEU B 185 -4.594 -4.668 5.936 1.00 15.00 H new ATOM 705 N SER B 186 -7.957 -4.237 4.100 1.00 15.00 N ATOM 706 CA SER B 186 -8.762 -5.337 3.689 1.00 15.00 C ATOM 707 C SER B 186 -8.029 -5.956 2.514 1.00 15.00 C ATOM 708 O SER B 186 -8.100 -5.454 1.394 1.00 15.00 O ATOM 709 CB SER B 186 -10.157 -4.853 3.310 1.00 15.00 C ATOM 710 OG SER B 186 -10.950 -5.903 2.779 1.00 15.00 O ATOM 0 H SER B 186 -7.423 -3.815 3.340 1.00 15.00 H new ATOM 0 HA SER B 186 -8.906 -6.072 4.481 1.00 15.00 H new ATOM 0 HB2 SER B 186 -10.648 -4.434 4.188 1.00 15.00 H new ATOM 0 HB3 SER B 186 -10.077 -4.051 2.577 1.00 15.00 H new ATOM 0 HG SER B 186 -11.838 -5.558 2.548 1.00 15.00 H new ATOM 716 N GLU B 187 -7.299 -7.025 2.774 1.00 15.00 N ATOM 717 CA GLU B 187 -6.359 -7.531 1.791 1.00 15.00 C ATOM 718 C GLU B 187 -6.635 -8.999 1.529 1.00 15.00 C ATOM 719 O GLU B 187 -6.266 -9.865 2.321 1.00 15.00 O ATOM 720 CB GLU B 187 -4.899 -7.320 2.267 1.00 15.00 C ATOM 721 CG GLU B 187 -4.636 -5.972 2.927 1.00 15.00 C ATOM 722 CD GLU B 187 -5.051 -4.791 2.077 1.00 15.00 C ATOM 723 OE1 GLU B 187 -4.690 -4.750 0.884 1.00 15.00 O ATOM 724 OE2 GLU B 187 -5.731 -3.889 2.609 1.00 15.00 O1- ATOM 0 H GLU B 187 -7.337 -7.554 3.645 1.00 15.00 H new ATOM 0 HA GLU B 187 -6.488 -6.977 0.861 1.00 15.00 H new ATOM 0 HB2 GLU B 187 -4.642 -8.111 2.972 1.00 15.00 H new ATOM 0 HB3 GLU B 187 -4.233 -7.427 1.411 1.00 15.00 H new ATOM 0 HG2 GLU B 187 -5.170 -5.931 3.876 1.00 15.00 H new ATOM 0 HG3 GLU B 187 -3.573 -5.890 3.155 1.00 15.00 H new ATOM 731 N ASP B 188 -7.330 -9.267 0.434 1.00 15.00 N ATOM 732 CA ASP B 188 -7.700 -10.629 0.076 1.00 15.00 C ATOM 733 C ASP B 188 -7.087 -11.009 -1.269 1.00 15.00 C ATOM 734 O ASP B 188 -7.085 -12.175 -1.662 1.00 15.00 O ATOM 735 CB ASP B 188 -9.226 -10.772 0.015 1.00 15.00 C ATOM 736 CG ASP B 188 -9.912 -10.303 1.285 1.00 15.00 C ATOM 737 OD1 ASP B 188 -9.875 -11.034 2.297 1.00 15.00 O1- ATOM 738 OD2 ASP B 188 -10.479 -9.188 1.284 1.00 15.00 O ATOM 0 H ASP B 188 -7.650 -8.557 -0.225 1.00 15.00 H new ATOM 0 HA ASP B 188 -7.315 -11.302 0.842 1.00 15.00 H new ATOM 0 HB2 ASP B 188 -9.606 -10.199 -0.831 1.00 15.00 H new ATOM 0 HB3 ASP B 188 -9.482 -11.816 -0.166 1.00 15.00 H new ATOM 743 N GLY B 189 -6.581 -10.008 -1.971 1.00 15.00 N ATOM 744 CA GLY B 189 -5.966 -10.234 -3.261 1.00 15.00 C ATOM 745 C GLY B 189 -6.467 -9.248 -4.294 1.00 15.00 C ATOM 746 O GLY B 189 -6.479 -9.589 -5.494 1.00 15.00 O ATOM 747 OXT GLY B 189 -6.866 -8.130 -3.901 1.00 15.00 O ATOM 0 H GLY B 189 -6.586 -9.034 -1.667 1.00 15.00 H new ATOM 0 HA2 GLY B 189 -4.883 -10.148 -3.169 1.00 15.00 H new ATOM 0 HA3 GLY B 189 -6.178 -11.250 -3.593 1.00 15.00 H new TER 751 GLY B 189