USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=15 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 Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ -136:sc= -0.0926 (180deg=-0.55) USER MOD Single : A 378 LYS NZ :NH3+ -153:sc= 1.39 (180deg=1.04) USER MOD Single : A 381 THR OG1 : rot 20:sc= 0.387 USER MOD Single : A 382 TYR OH : rot 86:sc= 2.04 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 385 ASN :FLIP amide:sc= -6.26! C(o=-7.2!,f=-6.3!) USER MOD Single : A 386 HIS : no HD1:sc= -8.94! C(o=-8.9!,f=-13!) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 388 ASN :FLIP amide:sc= -0.0544 F(o=-1.4!,f=-0.054) USER MOD Single : A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 83:sc= -0.165 USER MOD Single : A 392 THR OG1 : rot 150:sc= -1.43! USER MOD Single : A 394 THR OG1 : rot 180:sc= 0 USER MOD Single : A 398 MET CE :methyl -172:sc=-0.00218 (180deg=-0.0992) USER MOD Single : A 399 GLN : amide:sc= -1.18! C(o=-1.2!,f=-7.3!) USER MOD Single : B 184 TYR OH : rot 180:sc= -1.86 USER MOD Single : B 186 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 366 12.143 -2.915 -1.904 1.00 15.00 N ATOM 2 CA GLY A 366 11.974 -3.273 -0.514 1.00 15.00 C ATOM 3 C GLY A 366 10.574 -3.018 -0.004 1.00 15.00 C ATOM 4 O GLY A 366 10.055 -1.906 -0.114 1.00 15.00 O ATOM 0 HA2 GLY A 366 12.215 -4.328 -0.384 1.00 15.00 H new ATOM 0 HA3 GLY A 366 12.683 -2.707 0.090 1.00 15.00 H new ATOM 8 N LEU A 367 9.955 -4.055 0.533 1.00 15.00 N ATOM 9 CA LEU A 367 8.660 -3.926 1.174 1.00 15.00 C ATOM 10 C LEU A 367 8.870 -3.826 2.682 1.00 15.00 C ATOM 11 O LEU A 367 9.683 -4.565 3.245 1.00 15.00 O ATOM 12 CB LEU A 367 7.788 -5.145 0.848 1.00 15.00 C ATOM 13 CG LEU A 367 6.296 -4.995 1.146 1.00 15.00 C ATOM 14 CD1 LEU A 367 5.619 -4.170 0.061 1.00 15.00 C ATOM 15 CD2 LEU A 367 5.642 -6.358 1.279 1.00 15.00 C ATOM 0 H LEU A 367 10.333 -5.002 0.537 1.00 15.00 H new ATOM 0 HA LEU A 367 8.155 -3.032 0.809 1.00 15.00 H new ATOM 0 HB2 LEU A 367 7.906 -5.380 -0.210 1.00 15.00 H new ATOM 0 HB3 LEU A 367 8.167 -6.000 1.409 1.00 15.00 H new ATOM 0 HG LEU A 367 6.180 -4.470 2.094 1.00 15.00 H new ATOM 0 HD11 LEU A 367 4.557 -4.072 0.287 1.00 15.00 H new ATOM 0 HD12 LEU A 367 6.074 -3.180 0.019 1.00 15.00 H new ATOM 0 HD13 LEU A 367 5.740 -4.666 -0.902 1.00 15.00 H new ATOM 0 HD21 LEU A 367 4.580 -6.233 1.491 1.00 15.00 H new ATOM 0 HD22 LEU A 367 5.763 -6.912 0.348 1.00 15.00 H new ATOM 0 HD23 LEU A 367 6.112 -6.909 2.093 1.00 15.00 H new ATOM 27 N PRO A 368 8.156 -2.920 3.360 1.00 15.00 N ATOM 28 CA PRO A 368 8.231 -2.799 4.795 1.00 15.00 C ATOM 29 C PRO A 368 7.210 -3.705 5.472 1.00 15.00 C ATOM 30 O PRO A 368 6.005 -3.626 5.210 1.00 15.00 O ATOM 31 CB PRO A 368 7.874 -1.337 5.031 1.00 15.00 C ATOM 32 CG PRO A 368 6.900 -1.033 3.953 1.00 15.00 C ATOM 33 CD PRO A 368 7.303 -1.884 2.777 1.00 15.00 C ATOM 0 HA PRO A 368 9.203 -3.085 5.197 1.00 15.00 H new ATOM 0 HB2 PRO A 368 7.438 -1.186 6.019 1.00 15.00 H new ATOM 0 HB3 PRO A 368 8.753 -0.695 4.969 1.00 15.00 H new ATOM 0 HG2 PRO A 368 5.883 -1.262 4.270 1.00 15.00 H new ATOM 0 HG3 PRO A 368 6.922 0.026 3.694 1.00 15.00 H new ATOM 0 HD2 PRO A 368 6.434 -2.316 2.281 1.00 15.00 H new ATOM 0 HD3 PRO A 368 7.839 -1.301 2.029 1.00 15.00 H new ATOM 41 N SER A 369 7.702 -4.568 6.322 1.00 15.00 N ATOM 42 CA SER A 369 6.869 -5.531 7.010 1.00 15.00 C ATOM 43 C SER A 369 5.978 -4.815 8.028 1.00 15.00 C ATOM 44 O SER A 369 6.478 -4.175 8.956 1.00 15.00 O ATOM 45 CB SER A 369 7.754 -6.547 7.718 1.00 15.00 C ATOM 46 OG SER A 369 8.636 -7.170 6.798 1.00 15.00 O ATOM 0 H SER A 369 8.692 -4.627 6.560 1.00 15.00 H new ATOM 0 HA SER A 369 6.235 -6.045 6.288 1.00 15.00 H new ATOM 0 HB2 SER A 369 8.328 -6.053 8.502 1.00 15.00 H new ATOM 0 HB3 SER A 369 7.134 -7.301 8.203 1.00 15.00 H new ATOM 0 HG SER A 369 9.198 -7.818 7.271 1.00 15.00 H new ATOM 52 N GLY A 370 4.665 -4.899 7.843 1.00 15.00 N ATOM 53 CA GLY A 370 3.755 -4.182 8.704 1.00 15.00 C ATOM 54 C GLY A 370 2.572 -3.693 7.916 1.00 15.00 C ATOM 55 O GLY A 370 1.526 -3.369 8.470 1.00 15.00 O ATOM 0 H GLY A 370 4.219 -5.452 7.111 1.00 15.00 H new ATOM 0 HA2 GLY A 370 3.419 -4.832 9.512 1.00 15.00 H new ATOM 0 HA3 GLY A 370 4.268 -3.338 9.165 1.00 15.00 H new ATOM 59 N TRP A 371 2.772 -3.566 6.613 1.00 15.00 N ATOM 60 CA TRP A 371 1.693 -3.348 5.690 1.00 15.00 C ATOM 61 C TRP A 371 1.466 -4.607 4.875 1.00 15.00 C ATOM 62 O TRP A 371 2.379 -5.420 4.729 1.00 15.00 O ATOM 63 CB TRP A 371 2.046 -2.232 4.721 1.00 15.00 C ATOM 64 CG TRP A 371 2.747 -1.042 5.307 1.00 15.00 C ATOM 65 CD1 TRP A 371 3.519 -0.974 6.420 1.00 15.00 C ATOM 66 CD2 TRP A 371 2.726 0.260 4.765 1.00 15.00 C ATOM 67 NE1 TRP A 371 4.009 0.290 6.576 1.00 15.00 N ATOM 68 CE2 TRP A 371 3.522 1.079 5.571 1.00 15.00 C ATOM 69 CE3 TRP A 371 2.102 0.790 3.667 1.00 15.00 C ATOM 70 CZ2 TRP A 371 3.708 2.434 5.299 1.00 15.00 C ATOM 71 CZ3 TRP A 371 2.266 2.135 3.381 1.00 15.00 C ATOM 72 CH2 TRP A 371 3.067 2.947 4.200 1.00 15.00 C ATOM 0 H TRP A 371 3.692 -3.613 6.175 1.00 15.00 H new ATOM 0 HA TRP A 371 0.802 -3.084 6.259 1.00 15.00 H new ATOM 0 HB2 TRP A 371 2.676 -2.648 3.935 1.00 15.00 H new ATOM 0 HB3 TRP A 371 1.128 -1.888 4.245 1.00 15.00 H new ATOM 0 HD1 TRP A 371 3.717 -1.801 7.086 1.00 15.00 H new ATOM 0 HE1 TRP A 371 4.636 0.596 7.320 1.00 15.00 H new ATOM 0 HE3 TRP A 371 1.490 0.167 3.032 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 4.331 3.054 5.927 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 1.773 2.563 2.520 1.00 15.00 H new ATOM 0 HH2 TRP A 371 3.180 3.994 3.960 1.00 15.00 H new ATOM 83 N GLU A 372 0.274 -4.761 4.320 1.00 15.00 N ATOM 84 CA GLU A 372 0.064 -5.781 3.315 1.00 15.00 C ATOM 85 C GLU A 372 0.115 -5.086 1.960 1.00 15.00 C ATOM 86 O GLU A 372 -0.313 -3.938 1.846 1.00 15.00 O ATOM 87 CB GLU A 372 -1.272 -6.539 3.507 1.00 15.00 C ATOM 88 CG GLU A 372 -1.672 -6.764 4.960 1.00 15.00 C ATOM 89 CD GLU A 372 -0.706 -7.647 5.723 1.00 15.00 C ATOM 90 OE1 GLU A 372 -0.786 -8.882 5.577 1.00 15.00 O ATOM 91 OE2 GLU A 372 0.113 -7.110 6.505 1.00 15.00 O1- ATOM 0 H GLU A 372 -0.548 -4.201 4.546 1.00 15.00 H new ATOM 0 HA GLU A 372 0.840 -6.542 3.395 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -2.065 -5.982 3.008 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.200 -7.506 3.010 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -1.744 -5.799 5.462 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.664 -7.214 4.990 1.00 15.00 H new ATOM 98 N GLU A 373 0.670 -5.732 0.952 1.00 15.00 N ATOM 99 CA GLU A 373 0.802 -5.082 -0.341 1.00 15.00 C ATOM 100 C GLU A 373 -0.090 -5.708 -1.394 1.00 15.00 C ATOM 101 O GLU A 373 -0.343 -6.914 -1.386 1.00 15.00 O ATOM 102 CB GLU A 373 2.257 -5.084 -0.804 1.00 15.00 C ATOM 103 CG GLU A 373 2.956 -6.430 -0.697 1.00 15.00 C ATOM 104 CD GLU A 373 2.885 -7.252 -1.971 1.00 15.00 C ATOM 105 OE1 GLU A 373 3.571 -6.894 -2.952 1.00 15.00 O ATOM 106 OE2 GLU A 373 2.173 -8.277 -1.987 1.00 15.00 O1- ATOM 0 H GLU A 373 1.030 -6.685 0.998 1.00 15.00 H new ATOM 0 HA GLU A 373 0.475 -4.050 -0.211 1.00 15.00 H new ATOM 0 HB2 GLU A 373 2.294 -4.752 -1.842 1.00 15.00 H new ATOM 0 HB3 GLU A 373 2.812 -4.354 -0.215 1.00 15.00 H new ATOM 0 HG2 GLU A 373 4.002 -6.268 -0.437 1.00 15.00 H new ATOM 0 HG3 GLU A 373 2.509 -6.999 0.118 1.00 15.00 H new ATOM 113 N ARG A 374 -0.525 -4.879 -2.325 1.00 15.00 N ATOM 114 CA ARG A 374 -1.389 -5.324 -3.407 1.00 15.00 C ATOM 115 C ARG A 374 -1.093 -4.576 -4.697 1.00 15.00 C ATOM 116 O ARG A 374 -1.176 -3.345 -4.757 1.00 15.00 O ATOM 117 CB ARG A 374 -2.871 -5.161 -3.060 1.00 15.00 C ATOM 118 CG ARG A 374 -3.440 -6.314 -2.252 1.00 15.00 C ATOM 119 CD ARG A 374 -4.933 -6.479 -2.489 1.00 15.00 C ATOM 120 NE ARG A 374 -5.728 -5.389 -1.933 1.00 15.00 N ATOM 121 CZ ARG A 374 -6.867 -4.950 -2.478 1.00 15.00 C ATOM 122 NH1 ARG A 374 -7.306 -5.473 -3.619 1.00 15.00 N1+ ATOM 123 NH2 ARG A 374 -7.558 -3.983 -1.891 1.00 15.00 N ATOM 0 H ARG A 374 -0.293 -3.886 -2.355 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.179 -6.384 -3.550 1.00 15.00 H new ATOM 0 HB2 ARG A 374 -3.004 -4.236 -2.499 1.00 15.00 H new ATOM 0 HB3 ARG A 374 -3.442 -5.059 -3.983 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -2.924 -7.236 -2.520 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -3.256 -6.142 -1.192 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -5.119 -6.545 -3.561 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -5.262 -7.421 -2.050 1.00 15.00 H new ATOM 0 HE ARG A 374 -5.396 -4.937 -1.081 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -6.773 -6.211 -4.080 1.00 15.00 H new ATOM 0 HH12 ARG A 374 -8.175 -5.137 -4.033 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -7.221 -3.571 -1.021 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -8.427 -3.650 -2.310 1.00 15.00 H new ATOM 137 N LYS A 375 -0.731 -5.324 -5.720 1.00 15.00 N ATOM 138 CA LYS A 375 -0.626 -4.785 -7.058 1.00 15.00 C ATOM 139 C LYS A 375 -1.924 -5.074 -7.811 1.00 15.00 C ATOM 140 O LYS A 375 -2.174 -6.214 -8.204 1.00 15.00 O ATOM 141 CB LYS A 375 0.568 -5.400 -7.790 1.00 15.00 C ATOM 142 CG LYS A 375 0.737 -4.904 -9.213 1.00 15.00 C ATOM 143 CD LYS A 375 1.869 -5.635 -9.910 1.00 15.00 C ATOM 144 CE LYS A 375 1.957 -5.261 -11.377 1.00 15.00 C ATOM 145 NZ LYS A 375 0.695 -5.561 -12.103 1.00 15.00 N1+ ATOM 0 H LYS A 375 -0.503 -6.316 -5.647 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.468 -3.708 -7.006 1.00 15.00 H new ATOM 0 HB2 LYS A 375 1.477 -5.182 -7.229 1.00 15.00 H new ATOM 0 HB3 LYS A 375 0.454 -6.484 -7.804 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -0.191 -5.050 -9.766 1.00 15.00 H new ATOM 0 HG3 LYS A 375 0.939 -3.833 -9.208 1.00 15.00 H new ATOM 0 HD2 LYS A 375 2.812 -5.400 -9.417 1.00 15.00 H new ATOM 0 HD3 LYS A 375 1.720 -6.711 -9.817 1.00 15.00 H new ATOM 0 HE2 LYS A 375 2.184 -4.199 -11.468 1.00 15.00 H new ATOM 0 HE3 LYS A 375 2.780 -5.804 -11.841 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 0.917 -6.010 -13.014 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 0.111 -6.206 -11.533 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 0.173 -4.678 -12.271 1.00 15.00 H new ATOM 159 N ASP A 376 -2.758 -4.058 -7.992 1.00 15.00 N ATOM 160 CA ASP A 376 -4.069 -4.264 -8.587 1.00 15.00 C ATOM 161 C ASP A 376 -3.974 -4.116 -10.103 1.00 15.00 C ATOM 162 O ASP A 376 -3.322 -3.191 -10.603 1.00 15.00 O ATOM 163 CB ASP A 376 -5.071 -3.255 -8.019 1.00 15.00 C ATOM 164 CG ASP A 376 -6.510 -3.632 -8.316 1.00 15.00 C ATOM 165 OD1 ASP A 376 -6.885 -3.674 -9.505 1.00 15.00 O1- ATOM 166 OD2 ASP A 376 -7.273 -3.889 -7.356 1.00 15.00 O ATOM 0 H ASP A 376 -2.551 -3.092 -7.738 1.00 15.00 H new ATOM 0 HA ASP A 376 -4.415 -5.269 -8.348 1.00 15.00 H new ATOM 0 HB2 ASP A 376 -4.934 -3.180 -6.940 1.00 15.00 H new ATOM 0 HB3 ASP A 376 -4.864 -2.269 -8.436 1.00 15.00 H new ATOM 171 N ALA A 377 -4.660 -4.999 -10.830 1.00 15.00 N ATOM 172 CA ALA A 377 -4.539 -5.074 -12.283 1.00 15.00 C ATOM 173 C ALA A 377 -5.169 -3.870 -12.973 1.00 15.00 C ATOM 174 O ALA A 377 -5.118 -3.750 -14.199 1.00 15.00 O ATOM 175 CB ALA A 377 -5.163 -6.361 -12.797 1.00 15.00 C ATOM 0 H ALA A 377 -5.310 -5.676 -10.430 1.00 15.00 H new ATOM 0 HA ALA A 377 -3.476 -5.068 -12.523 1.00 15.00 H new ATOM 0 HB1 ALA A 377 -5.066 -6.404 -13.882 1.00 15.00 H new ATOM 0 HB2 ALA A 377 -4.653 -7.216 -12.353 1.00 15.00 H new ATOM 0 HB3 ALA A 377 -6.218 -6.387 -12.526 1.00 15.00 H new ATOM 181 N LYS A 378 -5.761 -2.975 -12.190 1.00 15.00 N ATOM 182 CA LYS A 378 -6.299 -1.735 -12.731 1.00 15.00 C ATOM 183 C LYS A 378 -5.170 -0.739 -13.005 1.00 15.00 C ATOM 184 O LYS A 378 -5.406 0.395 -13.419 1.00 15.00 O ATOM 185 CB LYS A 378 -7.340 -1.133 -11.782 1.00 15.00 C ATOM 186 CG LYS A 378 -6.797 -0.684 -10.433 1.00 15.00 C ATOM 187 CD LYS A 378 -7.921 -0.131 -9.570 1.00 15.00 C ATOM 188 CE LYS A 378 -7.410 0.591 -8.334 1.00 15.00 C ATOM 189 NZ LYS A 378 -8.492 1.388 -7.696 1.00 15.00 N1+ ATOM 0 H LYS A 378 -5.880 -3.085 -11.183 1.00 15.00 H new ATOM 0 HA LYS A 378 -6.796 -1.958 -13.675 1.00 15.00 H new ATOM 0 HB2 LYS A 378 -7.805 -0.278 -12.272 1.00 15.00 H new ATOM 0 HB3 LYS A 378 -8.125 -1.870 -11.614 1.00 15.00 H new ATOM 0 HG2 LYS A 378 -6.320 -1.524 -9.927 1.00 15.00 H new ATOM 0 HG3 LYS A 378 -6.031 0.078 -10.577 1.00 15.00 H new ATOM 0 HD2 LYS A 378 -8.525 0.556 -10.163 1.00 15.00 H new ATOM 0 HD3 LYS A 378 -8.575 -0.948 -9.264 1.00 15.00 H new ATOM 0 HE2 LYS A 378 -7.019 -0.134 -7.621 1.00 15.00 H new ATOM 0 HE3 LYS A 378 -6.583 1.247 -8.607 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 -8.075 2.189 -7.181 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 -9.138 1.746 -8.429 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 -9.021 0.787 -7.032 1.00 15.00 H new ATOM 203 N GLY A 379 -3.934 -1.179 -12.783 1.00 15.00 N ATOM 204 CA GLY A 379 -2.781 -0.364 -13.102 1.00 15.00 C ATOM 205 C GLY A 379 -2.370 0.520 -11.951 1.00 15.00 C ATOM 206 O GLY A 379 -1.674 1.516 -12.138 1.00 15.00 O ATOM 0 H GLY A 379 -3.713 -2.092 -12.385 1.00 15.00 H new ATOM 0 HA2 GLY A 379 -1.947 -1.010 -13.377 1.00 15.00 H new ATOM 0 HA3 GLY A 379 -3.005 0.255 -13.971 1.00 15.00 H new ATOM 210 N ARG A 380 -2.789 0.147 -10.754 1.00 15.00 N ATOM 211 CA ARG A 380 -2.500 0.933 -9.567 1.00 15.00 C ATOM 212 C ARG A 380 -2.175 0.018 -8.383 1.00 15.00 C ATOM 213 O ARG A 380 -3.033 -0.718 -7.903 1.00 15.00 O ATOM 214 CB ARG A 380 -3.683 1.864 -9.247 1.00 15.00 C ATOM 215 CG ARG A 380 -3.592 3.225 -9.943 1.00 15.00 C ATOM 216 CD ARG A 380 -4.882 4.042 -9.833 1.00 15.00 C ATOM 217 NE ARG A 380 -5.894 3.644 -10.827 1.00 15.00 N ATOM 218 CZ ARG A 380 -5.786 3.843 -12.145 1.00 15.00 C ATOM 219 NH1 ARG A 380 -4.691 4.369 -12.684 1.00 15.00 N1+ ATOM 220 NH2 ARG A 380 -6.791 3.499 -12.922 1.00 15.00 N ATOM 0 H ARG A 380 -3.332 -0.698 -10.578 1.00 15.00 H new ATOM 0 HA ARG A 380 -1.623 1.552 -9.757 1.00 15.00 H new ATOM 0 HB2 ARG A 380 -4.611 1.375 -9.542 1.00 15.00 H new ATOM 0 HB3 ARG A 380 -3.733 2.018 -8.169 1.00 15.00 H new ATOM 0 HG2 ARG A 380 -2.770 3.794 -9.509 1.00 15.00 H new ATOM 0 HG3 ARG A 380 -3.354 3.073 -10.996 1.00 15.00 H new ATOM 0 HD2 ARG A 380 -5.297 3.925 -8.832 1.00 15.00 H new ATOM 0 HD3 ARG A 380 -4.650 5.099 -9.961 1.00 15.00 H new ATOM 0 HE ARG A 380 -6.738 3.184 -10.485 1.00 15.00 H new ATOM 0 HH11 ARG A 380 -3.905 4.632 -12.089 1.00 15.00 H new ATOM 0 HH12 ARG A 380 -4.636 4.510 -13.693 1.00 15.00 H new ATOM 0 HH21 ARG A 380 -7.632 3.089 -12.516 1.00 15.00 H new ATOM 0 HH22 ARG A 380 -6.729 3.642 -13.930 1.00 15.00 H new ATOM 234 N THR A 381 -0.920 0.041 -7.945 1.00 15.00 N ATOM 235 CA THR A 381 -0.481 -0.783 -6.825 1.00 15.00 C ATOM 236 C THR A 381 -0.381 0.068 -5.564 1.00 15.00 C ATOM 237 O THR A 381 0.009 1.233 -5.631 1.00 15.00 O ATOM 238 CB THR A 381 0.878 -1.462 -7.126 1.00 15.00 C ATOM 239 OG1 THR A 381 1.256 -2.327 -6.046 1.00 15.00 O ATOM 240 CG2 THR A 381 1.978 -0.437 -7.362 1.00 15.00 C ATOM 0 H THR A 381 -0.187 0.623 -8.350 1.00 15.00 H new ATOM 0 HA THR A 381 -1.219 -1.570 -6.669 1.00 15.00 H new ATOM 0 HB THR A 381 0.753 -2.047 -8.037 1.00 15.00 H new ATOM 0 HG1 THR A 381 0.463 -2.557 -5.519 1.00 15.00 H new ATOM 0 HG21 THR A 381 2.916 -0.951 -7.570 1.00 15.00 H new ATOM 0 HG22 THR A 381 1.713 0.192 -8.212 1.00 15.00 H new ATOM 0 HG23 THR A 381 2.094 0.184 -6.473 1.00 15.00 H new ATOM 248 N TYR A 382 -0.739 -0.502 -4.421 1.00 15.00 N ATOM 249 CA TYR A 382 -0.811 0.272 -3.194 1.00 15.00 C ATOM 250 C TYR A 382 -0.399 -0.560 -1.982 1.00 15.00 C ATOM 251 O TYR A 382 -0.559 -1.784 -1.970 1.00 15.00 O ATOM 252 CB TYR A 382 -2.226 0.828 -3.010 1.00 15.00 C ATOM 253 CG TYR A 382 -3.198 -0.091 -2.311 1.00 15.00 C ATOM 254 CD1 TYR A 382 -3.537 -1.343 -2.814 1.00 15.00 C ATOM 255 CD2 TYR A 382 -3.784 0.314 -1.131 1.00 15.00 C ATOM 256 CE1 TYR A 382 -4.431 -2.158 -2.143 1.00 15.00 C ATOM 257 CE2 TYR A 382 -4.674 -0.488 -0.457 1.00 15.00 C ATOM 258 CZ TYR A 382 -4.997 -1.723 -0.963 1.00 15.00 C ATOM 259 OH TYR A 382 -5.879 -2.528 -0.282 1.00 15.00 O ATOM 0 H TYR A 382 -0.981 -1.488 -4.320 1.00 15.00 H new ATOM 0 HA TYR A 382 -0.109 1.102 -3.274 1.00 15.00 H new ATOM 0 HB2 TYR A 382 -2.162 1.758 -2.445 1.00 15.00 H new ATOM 0 HB3 TYR A 382 -2.630 1.078 -3.991 1.00 15.00 H new ATOM 0 HD1 TYR A 382 -3.097 -1.683 -3.740 1.00 15.00 H new ATOM 0 HD2 TYR A 382 -3.538 1.285 -0.726 1.00 15.00 H new ATOM 0 HE1 TYR A 382 -4.684 -3.130 -2.541 1.00 15.00 H new ATOM 0 HE2 TYR A 382 -5.118 -0.148 0.467 1.00 15.00 H new ATOM 0 HH TYR A 382 -5.382 -3.130 0.310 1.00 15.00 H new ATOM 269 N TYR A 383 0.155 0.107 -0.980 1.00 15.00 N ATOM 270 CA TYR A 383 0.549 -0.549 0.260 1.00 15.00 C ATOM 271 C TYR A 383 -0.352 -0.070 1.405 1.00 15.00 C ATOM 272 O TYR A 383 -0.588 1.131 1.551 1.00 15.00 O ATOM 273 CB TYR A 383 2.016 -0.239 0.575 1.00 15.00 C ATOM 274 CG TYR A 383 2.944 -0.412 -0.608 1.00 15.00 C ATOM 275 CD1 TYR A 383 3.297 -1.675 -1.060 1.00 15.00 C ATOM 276 CD2 TYR A 383 3.466 0.692 -1.273 1.00 15.00 C ATOM 277 CE1 TYR A 383 4.141 -1.835 -2.142 1.00 15.00 C ATOM 278 CE2 TYR A 383 4.309 0.540 -2.355 1.00 15.00 C ATOM 279 CZ TYR A 383 4.645 -0.725 -2.784 1.00 15.00 C ATOM 280 OH TYR A 383 5.489 -0.880 -3.860 1.00 15.00 O ATOM 0 H TYR A 383 0.343 1.109 -1.002 1.00 15.00 H new ATOM 0 HA TYR A 383 0.438 -1.627 0.147 1.00 15.00 H new ATOM 0 HB2 TYR A 383 2.091 0.786 0.937 1.00 15.00 H new ATOM 0 HB3 TYR A 383 2.349 -0.888 1.384 1.00 15.00 H new ATOM 0 HD1 TYR A 383 2.906 -2.547 -0.558 1.00 15.00 H new ATOM 0 HD2 TYR A 383 3.207 1.685 -0.937 1.00 15.00 H new ATOM 0 HE1 TYR A 383 4.404 -2.825 -2.483 1.00 15.00 H new ATOM 0 HE2 TYR A 383 4.703 1.408 -2.863 1.00 15.00 H new ATOM 0 HH TYR A 383 5.753 0.001 -4.198 1.00 15.00 H new ATOM 290 N VAL A 384 -0.850 -0.999 2.218 1.00 15.00 N ATOM 291 CA VAL A 384 -1.786 -0.659 3.290 1.00 15.00 C ATOM 292 C VAL A 384 -1.124 -0.721 4.652 1.00 15.00 C ATOM 293 O VAL A 384 -0.815 -1.803 5.138 1.00 15.00 O ATOM 294 CB VAL A 384 -2.975 -1.620 3.331 1.00 15.00 C ATOM 295 CG1 VAL A 384 -4.268 -0.851 3.365 1.00 15.00 C ATOM 296 CG2 VAL A 384 -2.935 -2.571 2.166 1.00 15.00 C ATOM 0 H VAL A 384 -0.622 -1.991 2.156 1.00 15.00 H new ATOM 0 HA VAL A 384 -2.122 0.355 3.073 1.00 15.00 H new ATOM 0 HB VAL A 384 -2.910 -2.214 4.243 1.00 15.00 H new ATOM 0 HG11 VAL A 384 -5.105 -1.548 3.394 1.00 15.00 H new ATOM 0 HG12 VAL A 384 -4.292 -0.218 4.252 1.00 15.00 H new ATOM 0 HG13 VAL A 384 -4.345 -0.229 2.473 1.00 15.00 H new ATOM 0 HG21 VAL A 384 -3.790 -3.245 2.217 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -2.972 -2.007 1.234 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -2.013 -3.152 2.202 1.00 15.00 H new ATOM 306 N ASN A 385 -0.958 0.417 5.299 1.00 15.00 N ATOM 307 CA ASN A 385 -0.239 0.453 6.557 1.00 15.00 C ATOM 308 C ASN A 385 -1.177 0.244 7.750 1.00 15.00 C ATOM 309 O ASN A 385 -2.138 0.989 7.905 1.00 15.00 O ATOM 310 CB ASN A 385 0.460 1.792 6.736 1.00 15.00 C ATOM 311 CG ASN A 385 1.279 1.801 8.002 1.00 15.00 C ATOM 312 OD1 ASN A 385 1.825 0.644 8.347 1.00 15.00 O flip ATOM 313 ND2 ASN A 385 1.423 2.821 8.660 1.00 15.00 N flip ATOM 0 H ASN A 385 -1.307 1.320 4.978 1.00 15.00 H new ATOM 0 HA ASN A 385 0.491 -0.356 6.525 1.00 15.00 H new ATOM 0 HB2 ASN A 385 1.104 1.989 5.879 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -0.279 2.592 6.770 1.00 15.00 H new ATOM 0 HD21 ASN A 385 0.984 3.690 8.356 1.00 15.00 H new ATOM 0 HD22 ASN A 385 1.982 2.803 9.513 1.00 15.00 H new ATOM 320 N HIS A 386 -0.886 -0.739 8.616 1.00 15.00 N ATOM 321 CA HIS A 386 -1.737 -0.994 9.785 1.00 15.00 C ATOM 322 C HIS A 386 -1.294 -0.113 10.930 1.00 15.00 C ATOM 323 O HIS A 386 -1.990 0.056 11.926 1.00 15.00 O ATOM 324 CB HIS A 386 -1.708 -2.473 10.239 1.00 15.00 C ATOM 325 CG HIS A 386 -1.489 -3.427 9.118 1.00 15.00 C ATOM 326 ND1 HIS A 386 -1.627 -3.036 7.821 1.00 15.00 N ATOM 327 CD2 HIS A 386 -0.983 -4.680 9.081 1.00 15.00 C ATOM 328 CE1 HIS A 386 -1.196 -3.964 7.035 1.00 15.00 C ATOM 329 NE2 HIS A 386 -0.809 -4.990 7.761 1.00 15.00 N ATOM 0 H HIS A 386 -0.081 -1.360 8.531 1.00 15.00 H new ATOM 0 HA HIS A 386 -2.762 -0.765 9.492 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -0.918 -2.604 10.978 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -2.650 -2.713 10.733 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -0.760 -5.312 9.928 1.00 15.00 H new ATOM 0 HE1 HIS A 386 -1.159 -3.907 5.957 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.441 -5.870 7.400 1.00 15.00 H new ATOM 338 N ASN A 387 -0.114 0.436 10.754 1.00 15.00 N ATOM 339 CA ASN A 387 0.568 1.192 11.771 1.00 15.00 C ATOM 340 C ASN A 387 0.017 2.618 11.844 1.00 15.00 C ATOM 341 O ASN A 387 0.110 3.288 12.872 1.00 15.00 O ATOM 342 CB ASN A 387 2.049 1.169 11.413 1.00 15.00 C ATOM 343 CG ASN A 387 2.936 1.818 12.459 1.00 15.00 C ATOM 344 OD1 ASN A 387 3.186 3.025 12.422 1.00 15.00 O ATOM 345 ND2 ASN A 387 3.436 1.020 13.387 1.00 15.00 N ATOM 0 H ASN A 387 0.407 0.366 9.880 1.00 15.00 H new ATOM 0 HA ASN A 387 0.415 0.759 12.760 1.00 15.00 H new ATOM 0 HB2 ASN A 387 2.364 0.135 11.272 1.00 15.00 H new ATOM 0 HB3 ASN A 387 2.192 1.679 10.460 1.00 15.00 H new ATOM 0 HD21 ASN A 387 4.052 1.398 14.106 1.00 15.00 H new ATOM 0 HD22 ASN A 387 3.205 0.026 13.384 1.00 15.00 H new ATOM 352 N ASN A 388 -0.545 3.072 10.731 1.00 15.00 N ATOM 353 CA ASN A 388 -1.194 4.378 10.661 1.00 15.00 C ATOM 354 C ASN A 388 -2.662 4.235 10.281 1.00 15.00 C ATOM 355 O ASN A 388 -3.437 5.183 10.413 1.00 15.00 O ATOM 356 CB ASN A 388 -0.502 5.292 9.644 1.00 15.00 C ATOM 357 CG ASN A 388 0.836 5.832 10.117 1.00 15.00 C ATOM 358 OD1 ASN A 388 0.969 6.057 11.411 1.00 15.00 O flip ATOM 359 ND2 ASN A 388 1.739 6.069 9.315 1.00 15.00 N flip ATOM 0 H ASN A 388 -0.565 2.550 9.855 1.00 15.00 H new ATOM 0 HA ASN A 388 -1.116 4.827 11.651 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -0.353 4.740 8.716 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -1.161 6.130 9.415 1.00 15.00 H new ATOM 0 HD21 ASN A 388 1.601 5.883 8.322 1.00 15.00 H new ATOM 0 HD22 ASN A 388 2.625 6.452 9.644 1.00 15.00 H new ATOM 366 N ARG A 389 -3.027 3.048 9.786 1.00 15.00 N ATOM 367 CA ARG A 389 -4.351 2.808 9.207 1.00 15.00 C ATOM 368 C ARG A 389 -4.488 3.592 7.911 1.00 15.00 C ATOM 369 O ARG A 389 -5.199 4.593 7.848 1.00 15.00 O ATOM 370 CB ARG A 389 -5.498 3.160 10.173 1.00 15.00 C ATOM 371 CG ARG A 389 -5.805 2.084 11.206 1.00 15.00 C ATOM 372 CD ARG A 389 -4.615 1.787 12.100 1.00 15.00 C ATOM 373 NE ARG A 389 -4.247 2.929 12.934 1.00 15.00 N ATOM 374 CZ ARG A 389 -3.299 2.888 13.872 1.00 15.00 C ATOM 375 NH1 ARG A 389 -2.649 1.756 14.115 1.00 15.00 N1+ ATOM 376 NH2 ARG A 389 -3.001 3.977 14.568 1.00 15.00 N ATOM 0 H ARG A 389 -2.416 2.231 9.776 1.00 15.00 H new ATOM 0 HA ARG A 389 -4.432 1.740 9.007 1.00 15.00 H new ATOM 0 HB2 ARG A 389 -5.247 4.085 10.693 1.00 15.00 H new ATOM 0 HB3 ARG A 389 -6.399 3.356 9.592 1.00 15.00 H new ATOM 0 HG2 ARG A 389 -6.647 2.403 11.820 1.00 15.00 H new ATOM 0 HG3 ARG A 389 -6.110 1.170 10.696 1.00 15.00 H new ATOM 0 HD2 ARG A 389 -4.847 0.934 12.738 1.00 15.00 H new ATOM 0 HD3 ARG A 389 -3.763 1.501 11.483 1.00 15.00 H new ATOM 0 HE ARG A 389 -4.744 3.808 12.791 1.00 15.00 H new ATOM 0 HH11 ARG A 389 -2.874 0.915 13.584 1.00 15.00 H new ATOM 0 HH12 ARG A 389 -1.925 1.728 14.833 1.00 15.00 H new ATOM 0 HH21 ARG A 389 -3.497 4.850 14.387 1.00 15.00 H new ATOM 0 HH22 ARG A 389 -2.276 3.942 15.284 1.00 15.00 H new ATOM 390 N THR A 390 -3.760 3.166 6.888 1.00 15.00 N ATOM 391 CA THR A 390 -3.647 3.961 5.680 1.00 15.00 C ATOM 392 C THR A 390 -3.605 3.106 4.399 1.00 15.00 C ATOM 393 O THR A 390 -3.106 1.981 4.422 1.00 15.00 O ATOM 394 CB THR A 390 -2.373 4.838 5.777 1.00 15.00 C ATOM 395 OG1 THR A 390 -2.585 5.890 6.725 1.00 15.00 O ATOM 396 CG2 THR A 390 -1.937 5.417 4.431 1.00 15.00 C ATOM 0 H THR A 390 -3.246 2.285 6.872 1.00 15.00 H new ATOM 0 HA THR A 390 -4.539 4.582 5.606 1.00 15.00 H new ATOM 0 HB THR A 390 -1.562 4.190 6.110 1.00 15.00 H new ATOM 0 HG1 THR A 390 -1.778 6.443 6.786 1.00 15.00 H new ATOM 0 HG21 THR A 390 -1.040 6.021 4.568 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.725 4.604 3.737 1.00 15.00 H new ATOM 0 HG23 THR A 390 -2.735 6.040 4.027 1.00 15.00 H new ATOM 404 N THR A 391 -4.140 3.650 3.294 1.00 15.00 N ATOM 405 CA THR A 391 -4.041 3.047 1.979 1.00 15.00 C ATOM 406 C THR A 391 -3.439 4.082 1.012 1.00 15.00 C ATOM 407 O THR A 391 -4.004 5.163 0.831 1.00 15.00 O ATOM 408 CB THR A 391 -5.436 2.597 1.497 1.00 15.00 C ATOM 409 OG1 THR A 391 -5.424 2.349 0.095 1.00 15.00 O ATOM 410 CG2 THR A 391 -6.496 3.636 1.826 1.00 15.00 C ATOM 0 H THR A 391 -4.656 4.530 3.301 1.00 15.00 H new ATOM 0 HA THR A 391 -3.399 2.167 2.016 1.00 15.00 H new ATOM 0 HB THR A 391 -5.684 1.675 2.022 1.00 15.00 H new ATOM 0 HG1 THR A 391 -5.083 1.446 -0.075 1.00 15.00 H new ATOM 0 HG21 THR A 391 -7.467 3.289 1.473 1.00 15.00 H new ATOM 0 HG22 THR A 391 -6.534 3.788 2.905 1.00 15.00 H new ATOM 0 HG23 THR A 391 -6.247 4.577 1.336 1.00 15.00 H new ATOM 418 N THR A 392 -2.283 3.790 0.415 1.00 15.00 N ATOM 419 CA THR A 392 -1.538 4.825 -0.286 1.00 15.00 C ATOM 420 C THR A 392 -0.713 4.280 -1.456 1.00 15.00 C ATOM 421 O THR A 392 -0.287 3.121 -1.440 1.00 15.00 O ATOM 422 CB THR A 392 -0.619 5.562 0.706 1.00 15.00 C ATOM 423 OG1 THR A 392 -0.004 6.697 0.083 1.00 15.00 O ATOM 424 CG2 THR A 392 0.459 4.635 1.254 1.00 15.00 C ATOM 0 H THR A 392 -1.853 2.865 0.404 1.00 15.00 H new ATOM 0 HA THR A 392 -2.268 5.514 -0.710 1.00 15.00 H new ATOM 0 HB THR A 392 -1.241 5.902 1.534 1.00 15.00 H new ATOM 0 HG1 THR A 392 0.160 7.390 0.756 1.00 15.00 H new ATOM 0 HG21 THR A 392 1.091 5.185 1.951 1.00 15.00 H new ATOM 0 HG22 THR A 392 -0.010 3.798 1.772 1.00 15.00 H new ATOM 0 HG23 THR A 392 1.067 4.258 0.432 1.00 15.00 H new ATOM 432 N TRP A 393 -0.519 5.120 -2.478 1.00 15.00 N ATOM 433 CA TRP A 393 0.355 4.782 -3.602 1.00 15.00 C ATOM 434 C TRP A 393 1.822 4.941 -3.208 1.00 15.00 C ATOM 435 O TRP A 393 2.708 4.345 -3.821 1.00 15.00 O ATOM 436 CB TRP A 393 0.130 5.701 -4.812 1.00 15.00 C ATOM 437 CG TRP A 393 -1.257 5.746 -5.380 1.00 15.00 C ATOM 438 CD1 TRP A 393 -1.887 6.856 -5.860 1.00 15.00 C ATOM 439 CD2 TRP A 393 -2.171 4.658 -5.563 1.00 15.00 C ATOM 440 NE1 TRP A 393 -3.130 6.528 -6.334 1.00 15.00 N ATOM 441 CE2 TRP A 393 -3.328 5.186 -6.163 1.00 15.00 C ATOM 442 CE3 TRP A 393 -2.130 3.293 -5.285 1.00 15.00 C ATOM 443 CZ2 TRP A 393 -4.423 4.396 -6.487 1.00 15.00 C ATOM 444 CZ3 TRP A 393 -3.221 2.511 -5.606 1.00 15.00 C ATOM 445 CH2 TRP A 393 -4.354 3.064 -6.203 1.00 15.00 C ATOM 0 H TRP A 393 -0.956 6.039 -2.548 1.00 15.00 H new ATOM 0 HA TRP A 393 0.116 3.752 -3.865 1.00 15.00 H new ATOM 0 HB2 TRP A 393 0.413 6.714 -4.526 1.00 15.00 H new ATOM 0 HB3 TRP A 393 0.811 5.392 -5.604 1.00 15.00 H new ATOM 0 HD1 TRP A 393 -1.467 7.851 -5.866 1.00 15.00 H new ATOM 0 HE1 TRP A 393 -3.798 7.179 -6.747 1.00 15.00 H new ATOM 0 HE3 TRP A 393 -1.257 2.854 -4.825 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 -5.301 4.823 -6.949 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 -3.197 1.453 -5.391 1.00 15.00 H new ATOM 0 HH2 TRP A 393 -5.191 2.426 -6.445 1.00 15.00 H new ATOM 456 N THR A 394 2.070 5.783 -2.205 1.00 15.00 N ATOM 457 CA THR A 394 3.418 6.253 -1.913 1.00 15.00 C ATOM 458 C THR A 394 4.310 5.151 -1.340 1.00 15.00 C ATOM 459 O THR A 394 3.851 4.246 -0.639 1.00 15.00 O ATOM 460 CB THR A 394 3.398 7.470 -0.948 1.00 15.00 C ATOM 461 OG1 THR A 394 4.666 8.145 -0.961 1.00 15.00 O ATOM 462 CG2 THR A 394 3.075 7.054 0.481 1.00 15.00 C ATOM 0 H THR A 394 1.352 6.152 -1.582 1.00 15.00 H new ATOM 0 HA THR A 394 3.843 6.564 -2.867 1.00 15.00 H new ATOM 0 HB THR A 394 2.615 8.142 -1.301 1.00 15.00 H new ATOM 0 HG1 THR A 394 4.636 8.910 -0.349 1.00 15.00 H new ATOM 0 HG21 THR A 394 3.071 7.934 1.124 1.00 15.00 H new ATOM 0 HG22 THR A 394 2.094 6.580 0.509 1.00 15.00 H new ATOM 0 HG23 THR A 394 3.829 6.350 0.834 1.00 15.00 H new ATOM 470 N ARG A 395 5.590 5.234 -1.672 1.00 15.00 N ATOM 471 CA ARG A 395 6.590 4.326 -1.146 1.00 15.00 C ATOM 472 C ARG A 395 6.859 4.630 0.321 1.00 15.00 C ATOM 473 O ARG A 395 7.117 5.780 0.687 1.00 15.00 O ATOM 474 CB ARG A 395 7.873 4.455 -1.964 1.00 15.00 C ATOM 475 CG ARG A 395 7.822 3.722 -3.296 1.00 15.00 C ATOM 476 CD ARG A 395 8.199 2.260 -3.127 1.00 15.00 C ATOM 477 NE ARG A 395 9.575 2.123 -2.653 1.00 15.00 N ATOM 478 CZ ARG A 395 9.963 1.289 -1.694 1.00 15.00 C ATOM 479 NH1 ARG A 395 9.099 0.429 -1.163 1.00 15.00 N1+ ATOM 480 NH2 ARG A 395 11.221 1.297 -1.285 1.00 15.00 N ATOM 0 H ARG A 395 5.961 5.934 -2.314 1.00 15.00 H new ATOM 0 HA ARG A 395 6.222 3.302 -1.219 1.00 15.00 H new ATOM 0 HB2 ARG A 395 8.073 5.511 -2.147 1.00 15.00 H new ATOM 0 HB3 ARG A 395 8.708 4.070 -1.378 1.00 15.00 H new ATOM 0 HG2 ARG A 395 6.820 3.796 -3.718 1.00 15.00 H new ATOM 0 HG3 ARG A 395 8.502 4.197 -4.003 1.00 15.00 H new ATOM 0 HD2 ARG A 395 7.519 1.785 -2.420 1.00 15.00 H new ATOM 0 HD3 ARG A 395 8.085 1.740 -4.078 1.00 15.00 H new ATOM 0 HE ARG A 395 10.287 2.709 -3.089 1.00 15.00 H new ATOM 0 HH11 ARG A 395 8.134 0.407 -1.492 1.00 15.00 H new ATOM 0 HH12 ARG A 395 9.402 -0.209 -0.427 1.00 15.00 H new ATOM 0 HH21 ARG A 395 11.890 1.942 -1.706 1.00 15.00 H new ATOM 0 HH22 ARG A 395 11.522 0.658 -0.549 1.00 15.00 H new ATOM 494 N PRO A 396 6.821 3.602 1.178 1.00 15.00 N ATOM 495 CA PRO A 396 7.016 3.768 2.616 1.00 15.00 C ATOM 496 C PRO A 396 8.457 4.139 2.956 1.00 15.00 C ATOM 497 O PRO A 396 9.393 3.372 2.711 1.00 15.00 O ATOM 498 CB PRO A 396 6.662 2.386 3.199 1.00 15.00 C ATOM 499 CG PRO A 396 5.969 1.663 2.094 1.00 15.00 C ATOM 500 CD PRO A 396 6.552 2.207 0.825 1.00 15.00 C ATOM 0 HA PRO A 396 6.405 4.575 3.019 1.00 15.00 H new ATOM 0 HB2 PRO A 396 7.557 1.852 3.519 1.00 15.00 H new ATOM 0 HB3 PRO A 396 6.018 2.480 4.073 1.00 15.00 H new ATOM 0 HG2 PRO A 396 6.129 0.587 2.169 1.00 15.00 H new ATOM 0 HG3 PRO A 396 4.892 1.828 2.133 1.00 15.00 H new ATOM 0 HD2 PRO A 396 7.460 1.678 0.535 1.00 15.00 H new ATOM 0 HD3 PRO A 396 5.856 2.126 -0.010 1.00 15.00 H new ATOM 508 N ILE A 397 8.616 5.331 3.514 1.00 15.00 N ATOM 509 CA ILE A 397 9.920 5.874 3.889 1.00 15.00 C ATOM 510 C ILE A 397 10.519 5.089 5.058 1.00 15.00 C ATOM 511 O ILE A 397 11.685 5.239 5.401 1.00 15.00 O ATOM 512 CB ILE A 397 9.797 7.380 4.250 1.00 15.00 C ATOM 513 CG1 ILE A 397 9.204 8.156 3.071 1.00 15.00 C ATOM 514 CG2 ILE A 397 11.141 7.984 4.646 1.00 15.00 C ATOM 515 CD1 ILE A 397 10.015 8.049 1.794 1.00 15.00 C ATOM 0 H ILE A 397 7.838 5.957 3.722 1.00 15.00 H new ATOM 0 HA ILE A 397 10.590 5.776 3.035 1.00 15.00 H new ATOM 0 HB ILE A 397 9.133 7.457 5.111 1.00 15.00 H new ATOM 0 HG12 ILE A 397 8.195 7.792 2.880 1.00 15.00 H new ATOM 0 HG13 ILE A 397 9.117 9.207 3.347 1.00 15.00 H new ATOM 0 HG21 ILE A 397 11.008 9.038 4.890 1.00 15.00 H new ATOM 0 HG22 ILE A 397 11.535 7.457 5.515 1.00 15.00 H new ATOM 0 HG23 ILE A 397 11.841 7.889 3.816 1.00 15.00 H new ATOM 0 HD11 ILE A 397 9.530 8.625 1.006 1.00 15.00 H new ATOM 0 HD12 ILE A 397 11.018 8.441 1.966 1.00 15.00 H new ATOM 0 HD13 ILE A 397 10.081 7.004 1.491 1.00 15.00 H new ATOM 527 N MET A 398 9.708 4.217 5.651 1.00 15.00 N ATOM 528 CA MET A 398 10.116 3.480 6.851 1.00 15.00 C ATOM 529 C MET A 398 11.083 2.394 6.576 1.00 15.00 C ATOM 530 O MET A 398 11.684 1.724 7.417 1.00 15.00 O ATOM 531 CB MET A 398 8.951 3.057 7.750 1.00 15.00 C ATOM 532 CG MET A 398 7.828 4.083 7.840 1.00 15.00 C ATOM 533 SD MET A 398 8.408 5.747 8.234 1.00 15.00 S ATOM 534 CE MET A 398 9.124 5.493 9.853 1.00 15.00 C ATOM 0 H MET A 398 8.766 4.001 5.324 1.00 15.00 H new ATOM 0 HA MET A 398 10.668 4.206 7.448 1.00 15.00 H new ATOM 0 HB2 MET A 398 8.541 2.118 7.377 1.00 15.00 H new ATOM 0 HB3 MET A 398 9.332 2.863 8.753 1.00 15.00 H new ATOM 0 HG2 MET A 398 7.292 4.108 6.891 1.00 15.00 H new ATOM 0 HG3 MET A 398 7.115 3.765 8.601 1.00 15.00 H new ATOM 0 HE1 MET A 398 9.396 6.456 10.286 1.00 15.00 H new ATOM 0 HE2 MET A 398 8.399 4.997 10.498 1.00 15.00 H new ATOM 0 HE3 MET A 398 10.015 4.871 9.763 1.00 15.00 H new ATOM 544 N GLN A 399 11.153 2.319 5.377 1.00 15.00 N ATOM 545 CA GLN A 399 11.882 1.302 4.629 1.00 15.00 C ATOM 546 C GLN A 399 12.951 1.959 3.753 1.00 15.00 C ATOM 547 O GLN A 399 14.135 1.655 3.888 1.00 15.00 O ATOM 548 CB GLN A 399 10.923 0.439 3.795 1.00 15.00 C ATOM 549 CG GLN A 399 11.575 -0.810 3.214 1.00 15.00 C ATOM 550 CD GLN A 399 12.300 -0.546 1.912 1.00 15.00 C ATOM 551 OE1 GLN A 399 11.876 0.285 1.112 1.00 15.00 O ATOM 552 NE2 GLN A 399 13.404 -1.241 1.694 1.00 15.00 N ATOM 0 H GLN A 399 10.687 2.991 4.768 1.00 15.00 H new ATOM 0 HA GLN A 399 12.381 0.639 5.335 1.00 15.00 H new ATOM 0 HB2 GLN A 399 10.080 0.142 4.418 1.00 15.00 H new ATOM 0 HB3 GLN A 399 10.521 1.041 2.980 1.00 15.00 H new ATOM 0 HG2 GLN A 399 12.279 -1.217 3.940 1.00 15.00 H new ATOM 0 HG3 GLN A 399 10.811 -1.570 3.051 1.00 15.00 H new ATOM 0 HE21 GLN A 399 13.723 -1.922 2.384 1.00 15.00 H new ATOM 0 HE22 GLN A 399 13.937 -1.096 0.836 1.00 15.00 H new ATOM 561 N LEU A 400 12.513 2.860 2.867 1.00 15.00 N ATOM 562 CA LEU A 400 13.412 3.614 1.985 1.00 15.00 C ATOM 563 C LEU A 400 14.074 2.720 0.936 1.00 15.00 C ATOM 564 O LEU A 400 13.539 2.633 -0.188 1.00 15.00 O ATOM 565 CB LEU A 400 14.473 4.370 2.793 1.00 15.00 C ATOM 566 CG LEU A 400 13.974 5.639 3.479 1.00 15.00 C ATOM 567 CD1 LEU A 400 15.020 6.175 4.441 1.00 15.00 C ATOM 568 CD2 LEU A 400 13.619 6.691 2.439 1.00 15.00 C ATOM 569 OXT LEU A 400 15.141 2.136 1.221 1.00 15.00 O ATOM 0 H LEU A 400 11.527 3.087 2.741 1.00 15.00 H new ATOM 0 HA LEU A 400 12.797 4.341 1.455 1.00 15.00 H new ATOM 0 HB2 LEU A 400 14.878 3.699 3.551 1.00 15.00 H new ATOM 0 HB3 LEU A 400 15.296 4.633 2.128 1.00 15.00 H new ATOM 0 HG LEU A 400 13.079 5.395 4.051 1.00 15.00 H new ATOM 0 HD11 LEU A 400 14.645 7.080 4.919 1.00 15.00 H new ATOM 0 HD12 LEU A 400 15.234 5.424 5.202 1.00 15.00 H new ATOM 0 HD13 LEU A 400 15.933 6.407 3.893 1.00 15.00 H new ATOM 0 HD21 LEU A 400 13.264 7.592 2.939 1.00 15.00 H new ATOM 0 HD22 LEU A 400 14.502 6.929 1.846 1.00 15.00 H new ATOM 0 HD23 LEU A 400 12.836 6.307 1.785 1.00 15.00 H new TER 581 LEU A 400 ATOM 582 N GLU B 178 -5.206 8.603 -12.774 1.00 15.00 N ATOM 583 CA GLU B 178 -5.205 7.564 -11.719 1.00 15.00 C ATOM 584 C GLU B 178 -6.482 7.633 -10.891 1.00 15.00 C ATOM 585 O GLU B 178 -6.814 8.688 -10.353 1.00 15.00 O ATOM 586 CB GLU B 178 -4.007 7.755 -10.782 1.00 15.00 C ATOM 587 CG GLU B 178 -2.670 7.799 -11.495 1.00 15.00 C ATOM 588 CD GLU B 178 -2.482 6.627 -12.425 1.00 15.00 C ATOM 589 OE1 GLU B 178 -2.427 5.482 -11.941 1.00 15.00 O1- ATOM 590 OE2 GLU B 178 -2.428 6.848 -13.650 1.00 15.00 O ATOM 0 HA GLU B 178 -5.141 6.594 -12.211 1.00 15.00 H new ATOM 0 HB2 GLU B 178 -4.140 8.681 -10.223 1.00 15.00 H new ATOM 0 HB3 GLU B 178 -3.994 6.943 -10.055 1.00 15.00 H new ATOM 0 HG2 GLU B 178 -2.593 8.727 -12.062 1.00 15.00 H new ATOM 0 HG3 GLU B 178 -1.867 7.808 -10.758 1.00 15.00 H new HETATM 599 N TPO B 179 -7.201 6.523 -10.790 1.00 15.00 N HETATM 600 CA TPO B 179 -8.298 6.440 -9.847 1.00 15.00 C HETATM 601 CB TPO B 179 -9.451 5.624 -10.443 1.00 15.00 C HETATM 602 CG2 TPO B 179 -10.340 6.492 -11.320 1.00 15.00 C HETATM 603 OG1 TPO B 179 -8.917 4.543 -11.214 1.00 15.00 O HETATM 604 P TPO B 179 -9.328 2.999 -10.979 1.00 15.00 P HETATM 605 O1P TPO B 179 -9.566 2.794 -9.567 1.00 15.00 O HETATM 606 O2P TPO B 179 -8.243 2.144 -11.421 1.00 15.00 O HETATM 607 O3P TPO B 179 -10.521 2.721 -11.764 1.00 15.00 O HETATM 608 C TPO B 179 -7.805 5.792 -8.549 1.00 15.00 C HETATM 609 O TPO B 179 -7.361 4.647 -8.542 1.00 15.00 O HETATM 0 HG23 TPO B 179 -10.759 7.303 -10.724 1.00 15.00 H new HETATM 0 HG22 TPO B 179 -9.750 6.909 -12.136 1.00 15.00 H new HETATM 0 HG21 TPO B 179 -11.149 5.887 -11.729 1.00 15.00 H new HETATM 0 HB TPO B 179 -10.058 5.233 -9.627 1.00 15.00 H new HETATM 0 HA TPO B 179 -8.663 7.444 -9.632 1.00 15.00 H new HETATM 0 H TPO B 179 -7.276 6.070 -11.701 1.00 15.00 H new ATOM 616 N PRO B 180 -7.888 6.524 -7.432 1.00 15.00 N ATOM 617 CA PRO B 180 -7.339 6.113 -6.142 1.00 15.00 C ATOM 618 C PRO B 180 -7.537 4.754 -5.516 1.00 15.00 C ATOM 619 O PRO B 180 -8.304 3.880 -5.936 1.00 15.00 O ATOM 620 CB PRO B 180 -7.989 7.146 -5.243 1.00 15.00 C ATOM 621 CG PRO B 180 -7.504 8.258 -5.987 1.00 15.00 C ATOM 622 CD PRO B 180 -8.131 7.985 -7.339 1.00 15.00 C ATOM 0 HA PRO B 180 -6.261 6.041 -6.286 1.00 15.00 H new ATOM 0 HB2 PRO B 180 -9.076 7.079 -5.209 1.00 15.00 H new ATOM 0 HB3 PRO B 180 -7.636 7.118 -4.212 1.00 15.00 H new ATOM 0 HG2 PRO B 180 -7.827 9.210 -5.566 1.00 15.00 H new ATOM 0 HG3 PRO B 180 -6.415 8.282 -6.033 1.00 15.00 H new ATOM 0 HD2 PRO B 180 -9.191 8.236 -7.367 1.00 15.00 H new ATOM 0 HD3 PRO B 180 -7.650 8.542 -8.144 1.00 15.00 H new ATOM 630 N PRO B 181 -6.737 4.647 -4.430 1.00 15.00 N ATOM 631 CA PRO B 181 -6.549 3.460 -3.597 1.00 15.00 C ATOM 632 C PRO B 181 -7.833 2.796 -3.109 1.00 15.00 C ATOM 633 O PRO B 181 -8.824 3.457 -2.787 1.00 15.00 O ATOM 634 CB PRO B 181 -5.772 4.004 -2.383 1.00 15.00 C ATOM 635 CG PRO B 181 -5.819 5.495 -2.492 1.00 15.00 C ATOM 636 CD PRO B 181 -5.931 5.793 -3.915 1.00 15.00 C ATOM 0 HA PRO B 181 -6.051 2.680 -4.173 1.00 15.00 H new ATOM 0 HB2 PRO B 181 -6.223 3.667 -1.449 1.00 15.00 H new ATOM 0 HB3 PRO B 181 -4.743 3.646 -2.387 1.00 15.00 H new ATOM 0 HG2 PRO B 181 -6.668 5.899 -1.941 1.00 15.00 H new ATOM 0 HG3 PRO B 181 -4.921 5.945 -2.069 1.00 15.00 H new ATOM 0 HD2 PRO B 181 -6.427 6.748 -4.091 1.00 15.00 H new ATOM 0 HD3 PRO B 181 -4.954 5.848 -4.395 1.00 15.00 H new ATOM 644 N PRO B 182 -7.789 1.459 -3.027 1.00 15.00 N ATOM 645 CA PRO B 182 -8.803 0.643 -2.357 1.00 15.00 C ATOM 646 C PRO B 182 -8.730 0.851 -0.845 1.00 15.00 C ATOM 647 O PRO B 182 -7.663 1.165 -0.328 1.00 15.00 O ATOM 648 CB PRO B 182 -8.414 -0.802 -2.718 1.00 15.00 C ATOM 649 CG PRO B 182 -7.386 -0.689 -3.797 1.00 15.00 C ATOM 650 CD PRO B 182 -6.716 0.630 -3.589 1.00 15.00 C ATOM 0 HA PRO B 182 -9.819 0.894 -2.661 1.00 15.00 H new ATOM 0 HB2 PRO B 182 -8.015 -1.328 -1.851 1.00 15.00 H new ATOM 0 HB3 PRO B 182 -9.281 -1.366 -3.061 1.00 15.00 H new ATOM 0 HG2 PRO B 182 -6.667 -1.506 -3.738 1.00 15.00 H new ATOM 0 HG3 PRO B 182 -7.848 -0.741 -4.783 1.00 15.00 H new ATOM 0 HD2 PRO B 182 -5.869 0.550 -2.908 1.00 15.00 H new ATOM 0 HD3 PRO B 182 -6.335 1.041 -4.524 1.00 15.00 H new ATOM 658 N GLY B 183 -9.863 0.712 -0.151 1.00 15.00 N ATOM 659 CA GLY B 183 -9.915 0.938 1.295 1.00 15.00 C ATOM 660 C GLY B 183 -8.813 0.226 2.078 1.00 15.00 C ATOM 661 O GLY B 183 -8.121 -0.647 1.554 1.00 15.00 O ATOM 0 H GLY B 183 -10.755 0.444 -0.567 1.00 15.00 H new ATOM 0 HA2 GLY B 183 -9.848 2.009 1.487 1.00 15.00 H new ATOM 0 HA3 GLY B 183 -10.884 0.607 1.669 1.00 15.00 H new ATOM 665 N TYR B 184 -8.693 0.553 3.358 1.00 15.00 N ATOM 666 CA TYR B 184 -7.544 0.123 4.143 1.00 15.00 C ATOM 667 C TYR B 184 -7.776 -1.244 4.814 1.00 15.00 C ATOM 668 O TYR B 184 -8.837 -1.504 5.381 1.00 15.00 O ATOM 669 CB TYR B 184 -7.164 1.200 5.182 1.00 15.00 C ATOM 670 CG TYR B 184 -6.548 0.638 6.440 1.00 15.00 C ATOM 671 CD1 TYR B 184 -5.234 0.197 6.465 1.00 15.00 C ATOM 672 CD2 TYR B 184 -7.299 0.529 7.602 1.00 15.00 C ATOM 673 CE1 TYR B 184 -4.687 -0.334 7.613 1.00 15.00 C ATOM 674 CE2 TYR B 184 -6.759 -0.002 8.752 1.00 15.00 C ATOM 675 CZ TYR B 184 -5.450 -0.430 8.753 1.00 15.00 C ATOM 676 OH TYR B 184 -4.900 -0.959 9.897 1.00 15.00 O ATOM 0 H TYR B 184 -9.374 1.112 3.873 1.00 15.00 H new ATOM 0 HA TYR B 184 -6.707 -0.004 3.456 1.00 15.00 H new ATOM 0 HB2 TYR B 184 -6.464 1.901 4.727 1.00 15.00 H new ATOM 0 HB3 TYR B 184 -8.056 1.768 5.447 1.00 15.00 H new ATOM 0 HD1 TYR B 184 -4.631 0.271 5.572 1.00 15.00 H new ATOM 0 HD2 TYR B 184 -8.325 0.867 7.604 1.00 15.00 H new ATOM 0 HE1 TYR B 184 -3.662 -0.674 7.617 1.00 15.00 H new ATOM 0 HE2 TYR B 184 -7.358 -0.082 9.647 1.00 15.00 H new ATOM 0 HH TYR B 184 -5.569 -0.956 10.613 1.00 15.00 H new ATOM 686 N LEU B 185 -6.729 -2.085 4.763 1.00 15.00 N ATOM 687 CA LEU B 185 -6.763 -3.470 5.202 1.00 15.00 C ATOM 688 C LEU B 185 -7.950 -4.235 4.685 1.00 15.00 C ATOM 689 O LEU B 185 -8.901 -4.558 5.401 1.00 15.00 O ATOM 690 CB LEU B 185 -6.567 -3.639 6.703 1.00 15.00 C ATOM 691 CG LEU B 185 -5.113 -3.808 7.106 1.00 15.00 C ATOM 692 CD1 LEU B 185 -4.982 -3.943 8.614 1.00 15.00 C ATOM 693 CD2 LEU B 185 -4.509 -5.019 6.411 1.00 15.00 C ATOM 0 H LEU B 185 -5.817 -1.802 4.404 1.00 15.00 H new ATOM 0 HA LEU B 185 -5.890 -3.927 4.737 1.00 15.00 H new ATOM 0 HB2 LEU B 185 -6.980 -2.770 7.216 1.00 15.00 H new ATOM 0 HB3 LEU B 185 -7.133 -4.507 7.040 1.00 15.00 H new ATOM 0 HG LEU B 185 -4.567 -2.917 6.795 1.00 15.00 H new ATOM 0 HD11 LEU B 185 -3.931 -4.063 8.879 1.00 15.00 H new ATOM 0 HD12 LEU B 185 -5.378 -3.048 9.095 1.00 15.00 H new ATOM 0 HD13 LEU B 185 -5.543 -4.815 8.951 1.00 15.00 H new ATOM 0 HD21 LEU B 185 -3.466 -5.127 6.710 1.00 15.00 H new ATOM 0 HD22 LEU B 185 -5.062 -5.914 6.694 1.00 15.00 H new ATOM 0 HD23 LEU B 185 -4.565 -4.884 5.331 1.00 15.00 H new ATOM 705 N SER B 186 -7.883 -4.441 3.398 1.00 15.00 N ATOM 706 CA SER B 186 -8.653 -5.433 2.720 1.00 15.00 C ATOM 707 C SER B 186 -7.733 -6.021 1.675 1.00 15.00 C ATOM 708 O SER B 186 -7.504 -5.420 0.628 1.00 15.00 O ATOM 709 CB SER B 186 -9.888 -4.802 2.084 1.00 15.00 C ATOM 710 OG SER B 186 -10.572 -5.718 1.245 1.00 15.00 O ATOM 0 H SER B 186 -7.273 -3.906 2.780 1.00 15.00 H new ATOM 0 HA SER B 186 -9.016 -6.205 3.399 1.00 15.00 H new ATOM 0 HB2 SER B 186 -10.562 -4.452 2.866 1.00 15.00 H new ATOM 0 HB3 SER B 186 -9.592 -3.928 1.504 1.00 15.00 H new ATOM 0 HG SER B 186 -11.358 -5.281 0.856 1.00 15.00 H new ATOM 716 N GLU B 187 -7.164 -7.169 1.984 1.00 15.00 N ATOM 717 CA GLU B 187 -6.108 -7.722 1.164 1.00 15.00 C ATOM 718 C GLU B 187 -6.479 -9.126 0.718 1.00 15.00 C ATOM 719 O GLU B 187 -6.573 -10.050 1.524 1.00 15.00 O ATOM 720 CB GLU B 187 -4.767 -7.674 1.921 1.00 15.00 C ATOM 721 CG GLU B 187 -4.312 -6.261 2.233 1.00 15.00 C ATOM 722 CD GLU B 187 -3.879 -5.514 0.995 1.00 15.00 C ATOM 723 OE1 GLU B 187 -2.725 -5.708 0.572 1.00 15.00 O1- ATOM 724 OE2 GLU B 187 -4.690 -4.744 0.439 1.00 15.00 O ATOM 0 H GLU B 187 -7.415 -7.735 2.795 1.00 15.00 H new ATOM 0 HA GLU B 187 -5.986 -7.120 0.263 1.00 15.00 H new ATOM 0 HB2 GLU B 187 -4.862 -8.233 2.852 1.00 15.00 H new ATOM 0 HB3 GLU B 187 -4.002 -8.173 1.326 1.00 15.00 H new ATOM 0 HG2 GLU B 187 -5.124 -5.718 2.717 1.00 15.00 H new ATOM 0 HG3 GLU B 187 -3.485 -6.296 2.942 1.00 15.00 H new ATOM 731 N ASP B 188 -6.715 -9.249 -0.578 1.00 15.00 N ATOM 732 CA ASP B 188 -7.266 -10.460 -1.172 1.00 15.00 C ATOM 733 C ASP B 188 -6.265 -11.604 -1.137 1.00 15.00 C ATOM 734 O ASP B 188 -5.143 -11.477 -1.630 1.00 15.00 O ATOM 735 CB ASP B 188 -7.682 -10.173 -2.612 1.00 15.00 C ATOM 736 CG ASP B 188 -8.434 -11.322 -3.248 1.00 15.00 C ATOM 737 OD1 ASP B 188 -9.575 -11.592 -2.824 1.00 15.00 O1- ATOM 738 OD2 ASP B 188 -7.896 -11.946 -4.188 1.00 15.00 O ATOM 0 H ASP B 188 -6.529 -8.508 -1.253 1.00 15.00 H new ATOM 0 HA ASP B 188 -8.135 -10.764 -0.588 1.00 15.00 H new ATOM 0 HB2 ASP B 188 -8.307 -9.280 -2.633 1.00 15.00 H new ATOM 0 HB3 ASP B 188 -6.794 -9.954 -3.205 1.00 15.00 H new ATOM 743 N GLY B 189 -6.684 -12.719 -0.559 1.00 15.00 N ATOM 744 CA GLY B 189 -5.830 -13.883 -0.454 1.00 15.00 C ATOM 745 C GLY B 189 -6.404 -14.903 0.502 1.00 15.00 C ATOM 746 O GLY B 189 -5.623 -15.655 1.116 1.00 15.00 O ATOM 747 OXT GLY B 189 -7.646 -14.937 0.659 1.00 15.00 O ATOM 0 H GLY B 189 -7.613 -12.839 -0.156 1.00 15.00 H new ATOM 0 HA2 GLY B 189 -5.705 -14.334 -1.438 1.00 15.00 H new ATOM 0 HA3 GLY B 189 -4.840 -13.580 -0.114 1.00 15.00 H new TER 751 GLY B 189