USER MOD reduce.3.24.130724 H: found=0, std=0, add=357, rem=0, adj=12 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 -134:sc= 1.29 USER MOD Set 1.2: A 394 THR OG1 : rot 180:sc= 1 USER MOD Set 2.1: A 385 ASN : amide:sc= -8.11! C(o=-7.5!,f=-7.1!) USER MOD Set 2.2: A 387 ASN : amide:sc= 0.298 X(o=-7.5,f=-7.2) USER MOD Set 2.3: A 388 ASN : amide:sc= 0.284 X(o=-7.5,f=-7.2) 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+ 179:sc= 2.1 (180deg=1.97) USER MOD Single : A 381 THR OG1 : rot 23:sc= 0.125 USER MOD Single : A 382 TYR OH : rot 64:sc= 1.62 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 386 HIS : no HD1:sc= -7.32! C(o=-7.3!,f=-12!) USER MOD Single : A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 97:sc= 0.868 USER MOD Single : A 398 MET CE :methyl -165:sc= -0.0695 (180deg=-0.384) USER MOD Single : A 399 GLN : amide:sc= 0.212 K(o=0.21,f=-5.4!) USER MOD Single : B 184 TYR OH : rot 180:sc= -1.04 USER MOD Single : B 186 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 366 11.945 -3.756 -2.545 1.00 15.00 N ATOM 2 CA GLY A 366 11.854 -3.899 -1.108 1.00 15.00 C ATOM 3 C GLY A 366 10.457 -3.612 -0.605 1.00 15.00 C ATOM 4 O GLY A 366 9.735 -2.821 -1.204 1.00 15.00 O ATOM 0 HA2 GLY A 366 12.142 -4.911 -0.824 1.00 15.00 H new ATOM 0 HA3 GLY A 366 12.560 -3.220 -0.629 1.00 15.00 H new ATOM 8 N LEU A 367 10.062 -4.276 0.466 1.00 15.00 N ATOM 9 CA LEU A 367 8.779 -4.011 1.101 1.00 15.00 C ATOM 10 C LEU A 367 9.006 -3.822 2.595 1.00 15.00 C ATOM 11 O LEU A 367 9.758 -4.584 3.203 1.00 15.00 O ATOM 12 CB LEU A 367 7.810 -5.178 0.864 1.00 15.00 C ATOM 13 CG LEU A 367 6.321 -4.863 1.075 1.00 15.00 C ATOM 14 CD1 LEU A 367 5.777 -4.052 -0.093 1.00 15.00 C ATOM 15 CD2 LEU A 367 5.527 -6.144 1.263 1.00 15.00 C ATOM 0 H LEU A 367 10.612 -5.006 0.918 1.00 15.00 H new ATOM 0 HA LEU A 367 8.340 -3.111 0.671 1.00 15.00 H new ATOM 0 HB2 LEU A 367 7.945 -5.537 -0.156 1.00 15.00 H new ATOM 0 HB3 LEU A 367 8.087 -5.996 1.529 1.00 15.00 H new ATOM 0 HG LEU A 367 6.218 -4.265 1.980 1.00 15.00 H new ATOM 0 HD11 LEU A 367 4.721 -3.838 0.073 1.00 15.00 H new ATOM 0 HD12 LEU A 367 6.329 -3.115 -0.174 1.00 15.00 H new ATOM 0 HD13 LEU A 367 5.891 -4.621 -1.016 1.00 15.00 H new ATOM 0 HD21 LEU A 367 4.475 -5.901 1.411 1.00 15.00 H new ATOM 0 HD22 LEU A 367 5.634 -6.771 0.378 1.00 15.00 H new ATOM 0 HD23 LEU A 367 5.902 -6.680 2.135 1.00 15.00 H new ATOM 27 N PRO A 368 8.359 -2.834 3.225 1.00 15.00 N ATOM 28 CA PRO A 368 8.493 -2.629 4.649 1.00 15.00 C ATOM 29 C PRO A 368 7.459 -3.439 5.422 1.00 15.00 C ATOM 30 O PRO A 368 6.257 -3.390 5.142 1.00 15.00 O ATOM 31 CB PRO A 368 8.210 -1.142 4.806 1.00 15.00 C ATOM 32 CG PRO A 368 7.214 -0.861 3.743 1.00 15.00 C ATOM 33 CD PRO A 368 7.583 -1.765 2.595 1.00 15.00 C ATOM 0 HA PRO A 368 9.466 -2.938 5.030 1.00 15.00 H new ATOM 0 HB2 PRO A 368 7.816 -0.911 5.796 1.00 15.00 H new ATOM 0 HB3 PRO A 368 9.114 -0.546 4.676 1.00 15.00 H new ATOM 0 HG2 PRO A 368 6.201 -1.063 4.091 1.00 15.00 H new ATOM 0 HG3 PRO A 368 7.245 0.186 3.443 1.00 15.00 H new ATOM 0 HD2 PRO A 368 6.698 -2.156 2.094 1.00 15.00 H new ATOM 0 HD3 PRO A 368 8.168 -1.237 1.842 1.00 15.00 H new ATOM 41 N SER A 369 7.945 -4.180 6.388 1.00 15.00 N ATOM 42 CA SER A 369 7.124 -5.099 7.151 1.00 15.00 C ATOM 43 C SER A 369 6.153 -4.332 8.049 1.00 15.00 C ATOM 44 O SER A 369 6.580 -3.571 8.916 1.00 15.00 O ATOM 45 CB SER A 369 8.029 -5.977 8.007 1.00 15.00 C ATOM 46 OG SER A 369 9.037 -6.587 7.214 1.00 15.00 O ATOM 0 H SER A 369 8.925 -4.165 6.671 1.00 15.00 H new ATOM 0 HA SER A 369 6.545 -5.716 6.464 1.00 15.00 H new ATOM 0 HB2 SER A 369 8.491 -5.376 8.791 1.00 15.00 H new ATOM 0 HB3 SER A 369 7.435 -6.745 8.502 1.00 15.00 H new ATOM 0 HG SER A 369 9.608 -7.145 7.783 1.00 15.00 H new ATOM 52 N GLY A 370 4.854 -4.509 7.831 1.00 15.00 N ATOM 53 CA GLY A 370 3.875 -3.794 8.611 1.00 15.00 C ATOM 54 C GLY A 370 2.754 -3.299 7.737 1.00 15.00 C ATOM 55 O GLY A 370 1.717 -2.849 8.223 1.00 15.00 O ATOM 0 H GLY A 370 4.467 -5.137 7.126 1.00 15.00 H new ATOM 0 HA2 GLY A 370 3.476 -4.446 9.388 1.00 15.00 H new ATOM 0 HA3 GLY A 370 4.349 -2.951 9.114 1.00 15.00 H new ATOM 59 N TRP A 371 3.009 -3.282 6.438 1.00 15.00 N ATOM 60 CA TRP A 371 1.985 -3.067 5.458 1.00 15.00 C ATOM 61 C TRP A 371 1.784 -4.322 4.625 1.00 15.00 C ATOM 62 O TRP A 371 2.735 -5.068 4.397 1.00 15.00 O ATOM 63 CB TRP A 371 2.422 -1.958 4.527 1.00 15.00 C ATOM 64 CG TRP A 371 2.960 -0.727 5.197 1.00 15.00 C ATOM 65 CD1 TRP A 371 3.625 -0.614 6.376 1.00 15.00 C ATOM 66 CD2 TRP A 371 2.857 0.573 4.682 1.00 15.00 C ATOM 67 NE1 TRP A 371 3.959 0.689 6.605 1.00 15.00 N ATOM 68 CE2 TRP A 371 3.490 1.450 5.568 1.00 15.00 C ATOM 69 CE3 TRP A 371 2.282 1.054 3.542 1.00 15.00 C ATOM 70 CZ2 TRP A 371 3.555 2.822 5.332 1.00 15.00 C ATOM 71 CZ3 TRP A 371 2.328 2.416 3.288 1.00 15.00 C ATOM 72 CH2 TRP A 371 2.965 3.289 4.185 1.00 15.00 C ATOM 0 H TRP A 371 3.940 -3.419 6.044 1.00 15.00 H new ATOM 0 HA TRP A 371 1.058 -2.809 5.969 1.00 15.00 H new ATOM 0 HB2 TRP A 371 3.187 -2.350 3.857 1.00 15.00 H new ATOM 0 HB3 TRP A 371 1.572 -1.671 3.907 1.00 15.00 H new ATOM 0 HD1 TRP A 371 3.856 -1.437 7.037 1.00 15.00 H new ATOM 0 HE1 TRP A 371 4.473 1.038 7.414 1.00 15.00 H new ATOM 0 HE3 TRP A 371 1.798 0.383 2.848 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 4.049 3.489 6.023 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 1.870 2.809 2.392 1.00 15.00 H new ATOM 0 HH2 TRP A 371 2.991 4.347 3.968 1.00 15.00 H new ATOM 83 N GLU A 372 0.571 -4.548 4.141 1.00 15.00 N ATOM 84 CA GLU A 372 0.368 -5.605 3.171 1.00 15.00 C ATOM 85 C GLU A 372 0.397 -4.970 1.792 1.00 15.00 C ATOM 86 O GLU A 372 -0.158 -3.886 1.605 1.00 15.00 O ATOM 87 CB GLU A 372 -0.963 -6.365 3.366 1.00 15.00 C ATOM 88 CG GLU A 372 -1.365 -6.604 4.810 1.00 15.00 C ATOM 89 CD GLU A 372 -0.346 -7.400 5.602 1.00 15.00 C ATOM 90 OE1 GLU A 372 0.546 -6.781 6.214 1.00 15.00 O ATOM 91 OE2 GLU A 372 -0.459 -8.640 5.654 1.00 15.00 O1- ATOM 0 H GLU A 372 -0.267 -4.026 4.398 1.00 15.00 H new ATOM 0 HA GLU A 372 1.159 -6.344 3.298 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.758 -5.806 2.872 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -0.890 -7.329 2.862 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -1.521 -5.642 5.299 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.319 -7.130 4.830 1.00 15.00 H new ATOM 98 N GLU A 373 1.044 -5.604 0.831 1.00 15.00 N ATOM 99 CA GLU A 373 1.087 -5.029 -0.497 1.00 15.00 C ATOM 100 C GLU A 373 0.094 -5.700 -1.416 1.00 15.00 C ATOM 101 O GLU A 373 -0.204 -6.890 -1.290 1.00 15.00 O ATOM 102 CB GLU A 373 2.476 -5.078 -1.126 1.00 15.00 C ATOM 103 CG GLU A 373 3.055 -6.478 -1.301 1.00 15.00 C ATOM 104 CD GLU A 373 4.349 -6.485 -2.102 1.00 15.00 C ATOM 105 OE1 GLU A 373 4.488 -5.664 -3.036 1.00 15.00 O ATOM 106 OE2 GLU A 373 5.228 -7.323 -1.811 1.00 15.00 O1- ATOM 0 H GLU A 373 1.534 -6.492 0.941 1.00 15.00 H new ATOM 0 HA GLU A 373 0.819 -3.980 -0.373 1.00 15.00 H new ATOM 0 HB2 GLU A 373 2.434 -4.594 -2.102 1.00 15.00 H new ATOM 0 HB3 GLU A 373 3.159 -4.493 -0.509 1.00 15.00 H new ATOM 0 HG2 GLU A 373 3.238 -6.916 -0.320 1.00 15.00 H new ATOM 0 HG3 GLU A 373 2.321 -7.110 -1.800 1.00 15.00 H new ATOM 113 N ARG A 374 -0.378 -4.925 -2.363 1.00 15.00 N ATOM 114 CA ARG A 374 -1.350 -5.396 -3.335 1.00 15.00 C ATOM 115 C ARG A 374 -1.141 -4.703 -4.669 1.00 15.00 C ATOM 116 O ARG A 374 -1.358 -3.494 -4.802 1.00 15.00 O ATOM 117 CB ARG A 374 -2.800 -5.192 -2.865 1.00 15.00 C ATOM 118 CG ARG A 374 -3.319 -6.307 -1.966 1.00 15.00 C ATOM 119 CD ARG A 374 -4.827 -6.493 -2.107 1.00 15.00 C ATOM 120 NE ARG A 374 -5.587 -5.373 -1.559 1.00 15.00 N ATOM 121 CZ ARG A 374 -6.808 -5.016 -1.969 1.00 15.00 C ATOM 122 NH1 ARG A 374 -7.440 -5.722 -2.903 1.00 15.00 N1+ ATOM 123 NH2 ARG A 374 -7.408 -3.967 -1.423 1.00 15.00 N ATOM 0 H ARG A 374 -0.103 -3.951 -2.486 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.190 -6.468 -3.447 1.00 15.00 H new ATOM 0 HB2 ARG A 374 -2.868 -4.245 -2.330 1.00 15.00 H new ATOM 0 HB3 ARG A 374 -3.447 -5.112 -3.738 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -2.813 -7.240 -2.215 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -3.076 -6.080 -0.928 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -5.077 -6.615 -3.161 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -5.125 -7.411 -1.600 1.00 15.00 H new ATOM 0 HE ARG A 374 -5.157 -4.826 -0.813 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -6.993 -6.543 -3.312 1.00 15.00 H new ATOM 0 HH12 ARG A 374 -8.372 -5.443 -3.210 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -6.938 -3.434 -0.691 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -8.340 -3.693 -1.735 1.00 15.00 H new ATOM 137 N LYS A 375 -0.687 -5.468 -5.645 1.00 15.00 N ATOM 138 CA LYS A 375 -0.560 -4.974 -6.995 1.00 15.00 C ATOM 139 C LYS A 375 -1.861 -5.240 -7.737 1.00 15.00 C ATOM 140 O LYS A 375 -2.161 -6.384 -8.075 1.00 15.00 O ATOM 141 CB LYS A 375 0.619 -5.664 -7.692 1.00 15.00 C ATOM 142 CG LYS A 375 0.844 -5.228 -9.128 1.00 15.00 C ATOM 143 CD LYS A 375 2.068 -5.913 -9.712 1.00 15.00 C ATOM 144 CE LYS A 375 2.310 -5.507 -11.154 1.00 15.00 C ATOM 145 NZ LYS A 375 3.549 -6.126 -11.693 1.00 15.00 N1+ ATOM 0 H LYS A 375 -0.400 -6.439 -5.522 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.366 -3.901 -6.987 1.00 15.00 H new ATOM 0 HB2 LYS A 375 1.527 -5.470 -7.120 1.00 15.00 H new ATOM 0 HB3 LYS A 375 0.455 -6.741 -7.674 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -0.034 -5.468 -9.728 1.00 15.00 H new ATOM 0 HG3 LYS A 375 0.972 -4.146 -9.169 1.00 15.00 H new ATOM 0 HD2 LYS A 375 2.944 -5.664 -9.113 1.00 15.00 H new ATOM 0 HD3 LYS A 375 1.940 -6.994 -9.656 1.00 15.00 H new ATOM 0 HE2 LYS A 375 1.458 -5.805 -11.765 1.00 15.00 H new ATOM 0 HE3 LYS A 375 2.386 -4.422 -11.220 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 3.685 -5.828 -12.680 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 4.365 -5.822 -11.124 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 3.466 -7.162 -11.652 1.00 15.00 H new ATOM 159 N ASP A 376 -2.662 -4.200 -7.941 1.00 15.00 N ATOM 160 CA ASP A 376 -3.977 -4.387 -8.531 1.00 15.00 C ATOM 161 C ASP A 376 -3.902 -4.235 -10.049 1.00 15.00 C ATOM 162 O ASP A 376 -3.267 -3.302 -10.554 1.00 15.00 O ATOM 163 CB ASP A 376 -4.975 -3.384 -7.953 1.00 15.00 C ATOM 164 CG ASP A 376 -6.411 -3.783 -8.229 1.00 15.00 C ATOM 165 OD1 ASP A 376 -6.790 -3.888 -9.412 1.00 15.00 O ATOM 166 OD2 ASP A 376 -7.168 -3.995 -7.262 1.00 15.00 O1- ATOM 0 H ASP A 376 -2.427 -3.235 -7.710 1.00 15.00 H new ATOM 0 HA ASP A 376 -4.320 -5.394 -8.292 1.00 15.00 H new ATOM 0 HB2 ASP A 376 -4.823 -3.301 -6.877 1.00 15.00 H new ATOM 0 HB3 ASP A 376 -4.785 -2.399 -8.378 1.00 15.00 H new ATOM 171 N ALA A 377 -4.585 -5.120 -10.774 1.00 15.00 N ATOM 172 CA ALA A 377 -4.513 -5.136 -12.226 1.00 15.00 C ATOM 173 C ALA A 377 -5.314 -3.995 -12.846 1.00 15.00 C ATOM 174 O ALA A 377 -5.343 -3.849 -14.068 1.00 15.00 O ATOM 175 CB ALA A 377 -4.995 -6.473 -12.765 1.00 15.00 C ATOM 0 H ALA A 377 -5.194 -5.834 -10.375 1.00 15.00 H new ATOM 0 HA ALA A 377 -3.469 -4.995 -12.504 1.00 15.00 H new ATOM 0 HB1 ALA A 377 -4.935 -6.469 -13.853 1.00 15.00 H new ATOM 0 HB2 ALA A 377 -4.368 -7.272 -12.370 1.00 15.00 H new ATOM 0 HB3 ALA A 377 -6.028 -6.638 -12.459 1.00 15.00 H new ATOM 181 N LYS A 378 -5.963 -3.181 -12.014 1.00 15.00 N ATOM 182 CA LYS A 378 -6.680 -2.011 -12.514 1.00 15.00 C ATOM 183 C LYS A 378 -5.695 -0.882 -12.830 1.00 15.00 C ATOM 184 O LYS A 378 -6.088 0.233 -13.173 1.00 15.00 O ATOM 185 CB LYS A 378 -7.767 -1.561 -11.522 1.00 15.00 C ATOM 186 CG LYS A 378 -7.261 -0.964 -10.216 1.00 15.00 C ATOM 187 CD LYS A 378 -8.361 -0.987 -9.159 1.00 15.00 C ATOM 188 CE LYS A 378 -8.045 -0.089 -7.970 1.00 15.00 C ATOM 189 NZ LYS A 378 -8.346 1.337 -8.263 1.00 15.00 N1+ ATOM 0 H LYS A 378 -6.007 -3.308 -11.003 1.00 15.00 H new ATOM 0 HA LYS A 378 -7.187 -2.282 -13.440 1.00 15.00 H new ATOM 0 HB2 LYS A 378 -8.401 -0.824 -12.015 1.00 15.00 H new ATOM 0 HB3 LYS A 378 -8.397 -2.419 -11.288 1.00 15.00 H new ATOM 0 HG2 LYS A 378 -6.397 -1.526 -9.863 1.00 15.00 H new ATOM 0 HG3 LYS A 378 -6.929 0.061 -10.382 1.00 15.00 H new ATOM 0 HD2 LYS A 378 -9.301 -0.670 -9.610 1.00 15.00 H new ATOM 0 HD3 LYS A 378 -8.504 -2.010 -8.810 1.00 15.00 H new ATOM 0 HE2 LYS A 378 -8.624 -0.413 -7.105 1.00 15.00 H new ATOM 0 HE3 LYS A 378 -6.993 -0.192 -7.706 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 -8.134 1.916 -7.425 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 -7.763 1.658 -9.062 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 -9.352 1.436 -8.507 1.00 15.00 H new ATOM 203 N GLY A 379 -4.406 -1.207 -12.751 1.00 15.00 N ATOM 204 CA GLY A 379 -3.366 -0.287 -13.169 1.00 15.00 C ATOM 205 C GLY A 379 -2.882 0.609 -12.052 1.00 15.00 C ATOM 206 O GLY A 379 -2.433 1.726 -12.303 1.00 15.00 O ATOM 0 H GLY A 379 -4.063 -2.102 -12.401 1.00 15.00 H new ATOM 0 HA2 GLY A 379 -2.523 -0.855 -13.562 1.00 15.00 H new ATOM 0 HA3 GLY A 379 -3.742 0.330 -13.985 1.00 15.00 H new ATOM 210 N ARG A 380 -2.944 0.115 -10.823 1.00 15.00 N ATOM 211 CA ARG A 380 -2.529 0.897 -9.666 1.00 15.00 C ATOM 212 C ARG A 380 -2.062 -0.002 -8.514 1.00 15.00 C ATOM 213 O ARG A 380 -2.812 -0.854 -8.032 1.00 15.00 O ATOM 214 CB ARG A 380 -3.671 1.819 -9.220 1.00 15.00 C ATOM 215 CG ARG A 380 -3.642 3.187 -9.896 1.00 15.00 C ATOM 216 CD ARG A 380 -5.001 3.875 -9.871 1.00 15.00 C ATOM 217 NE ARG A 380 -5.904 3.341 -10.891 1.00 15.00 N ATOM 218 CZ ARG A 380 -5.821 3.608 -12.196 1.00 15.00 C ATOM 219 NH1 ARG A 380 -4.805 4.310 -12.681 1.00 15.00 N1+ ATOM 220 NH2 ARG A 380 -6.749 3.140 -13.018 1.00 15.00 N ATOM 0 H ARG A 380 -3.277 -0.823 -10.601 1.00 15.00 H new ATOM 0 HA ARG A 380 -1.676 1.511 -9.957 1.00 15.00 H new ATOM 0 HB2 ARG A 380 -4.624 1.335 -9.435 1.00 15.00 H new ATOM 0 HB3 ARG A 380 -3.619 1.954 -8.140 1.00 15.00 H new ATOM 0 HG2 ARG A 380 -2.908 3.820 -9.398 1.00 15.00 H new ATOM 0 HG3 ARG A 380 -3.315 3.072 -10.929 1.00 15.00 H new ATOM 0 HD2 ARG A 380 -5.452 3.751 -8.887 1.00 15.00 H new ATOM 0 HD3 ARG A 380 -4.869 4.945 -10.028 1.00 15.00 H new ATOM 0 HE ARG A 380 -6.651 2.719 -10.582 1.00 15.00 H new ATOM 0 HH11 ARG A 380 -4.076 4.652 -12.055 1.00 15.00 H new ATOM 0 HH12 ARG A 380 -4.753 4.508 -13.680 1.00 15.00 H new ATOM 0 HH21 ARG A 380 -7.519 2.580 -12.652 1.00 15.00 H new ATOM 0 HH22 ARG A 380 -6.693 3.339 -14.017 1.00 15.00 H new ATOM 234 N THR A 381 -0.813 0.185 -8.084 1.00 15.00 N ATOM 235 CA THR A 381 -0.233 -0.598 -6.997 1.00 15.00 C ATOM 236 C THR A 381 -0.225 0.220 -5.703 1.00 15.00 C ATOM 237 O THR A 381 0.220 1.370 -5.707 1.00 15.00 O ATOM 238 CB THR A 381 1.216 -1.015 -7.344 1.00 15.00 C ATOM 239 OG1 THR A 381 2.052 0.148 -7.446 1.00 15.00 O ATOM 240 CG2 THR A 381 1.265 -1.769 -8.666 1.00 15.00 C ATOM 0 H THR A 381 -0.180 0.880 -8.479 1.00 15.00 H new ATOM 0 HA THR A 381 -0.841 -1.492 -6.859 1.00 15.00 H new ATOM 0 HB THR A 381 1.575 -1.666 -6.547 1.00 15.00 H new ATOM 0 HG1 THR A 381 1.650 0.885 -6.940 1.00 15.00 H new ATOM 0 HG21 THR A 381 2.295 -2.050 -8.886 1.00 15.00 H new ATOM 0 HG22 THR A 381 0.651 -2.667 -8.596 1.00 15.00 H new ATOM 0 HG23 THR A 381 0.885 -1.130 -9.463 1.00 15.00 H new ATOM 248 N TYR A 382 -0.704 -0.351 -4.598 1.00 15.00 N ATOM 249 CA TYR A 382 -0.810 0.415 -3.360 1.00 15.00 C ATOM 250 C TYR A 382 -0.348 -0.399 -2.154 1.00 15.00 C ATOM 251 O TYR A 382 -0.451 -1.629 -2.143 1.00 15.00 O ATOM 252 CB TYR A 382 -2.243 0.904 -3.149 1.00 15.00 C ATOM 253 CG TYR A 382 -3.142 -0.026 -2.369 1.00 15.00 C ATOM 254 CD1 TYR A 382 -3.493 -1.290 -2.828 1.00 15.00 C ATOM 255 CD2 TYR A 382 -3.642 0.390 -1.153 1.00 15.00 C ATOM 256 CE1 TYR A 382 -4.322 -2.108 -2.079 1.00 15.00 C ATOM 257 CE2 TYR A 382 -4.465 -0.410 -0.404 1.00 15.00 C ATOM 258 CZ TYR A 382 -4.806 -1.660 -0.866 1.00 15.00 C ATOM 259 OH TYR A 382 -5.632 -2.463 -0.112 1.00 15.00 O ATOM 0 H TYR A 382 -1.018 -1.319 -4.535 1.00 15.00 H new ATOM 0 HA TYR A 382 -0.152 1.279 -3.453 1.00 15.00 H new ATOM 0 HB2 TYR A 382 -2.208 1.864 -2.633 1.00 15.00 H new ATOM 0 HB3 TYR A 382 -2.694 1.083 -4.125 1.00 15.00 H new ATOM 0 HD1 TYR A 382 -3.115 -1.638 -3.778 1.00 15.00 H new ATOM 0 HD2 TYR A 382 -3.379 1.370 -0.782 1.00 15.00 H new ATOM 0 HE1 TYR A 382 -4.588 -3.090 -2.441 1.00 15.00 H new ATOM 0 HE2 TYR A 382 -4.844 -0.060 0.545 1.00 15.00 H new ATOM 0 HH TYR A 382 -5.144 -3.267 0.164 1.00 15.00 H new ATOM 269 N TYR A 383 0.173 0.297 -1.150 1.00 15.00 N ATOM 270 CA TYR A 383 0.635 -0.340 0.076 1.00 15.00 C ATOM 271 C TYR A 383 -0.201 0.155 1.267 1.00 15.00 C ATOM 272 O TYR A 383 -0.428 1.358 1.412 1.00 15.00 O ATOM 273 CB TYR A 383 2.122 -0.032 0.282 1.00 15.00 C ATOM 274 CG TYR A 383 2.961 -0.313 -0.945 1.00 15.00 C ATOM 275 CD1 TYR A 383 3.403 -1.599 -1.226 1.00 15.00 C ATOM 276 CD2 TYR A 383 3.292 0.702 -1.834 1.00 15.00 C ATOM 277 CE1 TYR A 383 4.154 -1.864 -2.353 1.00 15.00 C ATOM 278 CE2 TYR A 383 4.040 0.443 -2.967 1.00 15.00 C ATOM 279 CZ TYR A 383 4.468 -0.842 -3.220 1.00 15.00 C ATOM 280 OH TYR A 383 5.210 -1.109 -4.345 1.00 15.00 O ATOM 0 H TYR A 383 0.286 1.311 -1.163 1.00 15.00 H new ATOM 0 HA TYR A 383 0.512 -1.420 -0.000 1.00 15.00 H new ATOM 0 HB2 TYR A 383 2.235 1.016 0.560 1.00 15.00 H new ATOM 0 HB3 TYR A 383 2.498 -0.625 1.116 1.00 15.00 H new ATOM 0 HD1 TYR A 383 3.155 -2.405 -0.551 1.00 15.00 H new ATOM 0 HD2 TYR A 383 2.959 1.710 -1.636 1.00 15.00 H new ATOM 0 HE1 TYR A 383 4.494 -2.869 -2.554 1.00 15.00 H new ATOM 0 HE2 TYR A 383 4.287 1.243 -3.650 1.00 15.00 H new ATOM 0 HH TYR A 383 5.344 -0.281 -4.852 1.00 15.00 H new ATOM 290 N VAL A 384 -0.650 -0.770 2.116 1.00 15.00 N ATOM 291 CA VAL A 384 -1.569 -0.436 3.210 1.00 15.00 C ATOM 292 C VAL A 384 -0.889 -0.525 4.559 1.00 15.00 C ATOM 293 O VAL A 384 -0.486 -1.605 4.974 1.00 15.00 O ATOM 294 CB VAL A 384 -2.753 -1.404 3.261 1.00 15.00 C ATOM 295 CG1 VAL A 384 -4.052 -0.651 3.434 1.00 15.00 C ATOM 296 CG2 VAL A 384 -2.771 -2.285 2.037 1.00 15.00 C ATOM 0 H VAL A 384 -0.394 -1.756 2.069 1.00 15.00 H new ATOM 0 HA VAL A 384 -1.903 0.582 3.012 1.00 15.00 H new ATOM 0 HB VAL A 384 -2.637 -2.053 4.129 1.00 15.00 H new ATOM 0 HG11 VAL A 384 -4.881 -1.358 3.468 1.00 15.00 H new ATOM 0 HG12 VAL A 384 -4.022 -0.082 4.364 1.00 15.00 H new ATOM 0 HG13 VAL A 384 -4.191 0.031 2.596 1.00 15.00 H new ATOM 0 HG21 VAL A 384 -3.620 -2.966 2.092 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -2.859 -1.666 1.144 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -1.846 -2.860 1.989 1.00 15.00 H new ATOM 306 N ASN A 385 -0.810 0.576 5.277 1.00 15.00 N ATOM 307 CA ASN A 385 -0.126 0.566 6.556 1.00 15.00 C ATOM 308 C ASN A 385 -1.091 0.303 7.713 1.00 15.00 C ATOM 309 O ASN A 385 -2.068 1.029 7.867 1.00 15.00 O ATOM 310 CB ASN A 385 0.556 1.897 6.816 1.00 15.00 C ATOM 311 CG ASN A 385 1.336 1.844 8.108 1.00 15.00 C ATOM 312 OD1 ASN A 385 1.475 2.836 8.807 1.00 15.00 O ATOM 313 ND2 ASN A 385 1.848 0.666 8.428 1.00 15.00 N ATOM 0 H ASN A 385 -1.204 1.477 5.004 1.00 15.00 H new ATOM 0 HA ASN A 385 0.610 -0.236 6.504 1.00 15.00 H new ATOM 0 HB2 ASN A 385 1.225 2.138 5.990 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -0.189 2.691 6.866 1.00 15.00 H new ATOM 0 HD21 ASN A 385 2.384 0.560 9.289 1.00 15.00 H new ATOM 0 HD22 ASN A 385 1.706 -0.136 7.813 1.00 15.00 H new ATOM 320 N HIS A 386 -0.797 -0.692 8.563 1.00 15.00 N ATOM 321 CA HIS A 386 -1.679 -1.008 9.691 1.00 15.00 C ATOM 322 C HIS A 386 -1.300 -0.158 10.878 1.00 15.00 C ATOM 323 O HIS A 386 -2.042 -0.033 11.839 1.00 15.00 O ATOM 324 CB HIS A 386 -1.608 -2.495 10.094 1.00 15.00 C ATOM 325 CG HIS A 386 -1.295 -3.375 8.943 1.00 15.00 C ATOM 326 ND1 HIS A 386 -1.573 -2.984 7.666 1.00 15.00 N ATOM 327 CD2 HIS A 386 -0.562 -4.503 8.839 1.00 15.00 C ATOM 328 CE1 HIS A 386 -1.013 -3.792 6.829 1.00 15.00 C ATOM 329 NE2 HIS A 386 -0.400 -4.739 7.505 1.00 15.00 N ATOM 0 H HIS A 386 0.032 -1.282 8.492 1.00 15.00 H new ATOM 0 HA HIS A 386 -2.700 -0.798 9.374 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -0.848 -2.624 10.865 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -2.560 -2.797 10.531 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -0.179 -5.102 9.652 1.00 15.00 H new ATOM 0 HE1 HIS A 386 -1.043 -3.705 5.753 1.00 15.00 H new ATOM 0 HE2 HIS A 386 0.113 -5.522 7.099 1.00 15.00 H new ATOM 338 N ASN A 387 -0.128 0.421 10.768 1.00 15.00 N ATOM 339 CA ASN A 387 0.526 1.102 11.855 1.00 15.00 C ATOM 340 C ASN A 387 0.000 2.531 12.001 1.00 15.00 C ATOM 341 O ASN A 387 0.019 3.112 13.084 1.00 15.00 O ATOM 342 CB ASN A 387 2.020 1.078 11.548 1.00 15.00 C ATOM 343 CG ASN A 387 2.880 1.680 12.648 1.00 15.00 C ATOM 344 OD1 ASN A 387 3.291 0.987 13.578 1.00 15.00 O ATOM 345 ND2 ASN A 387 3.172 2.968 12.540 1.00 15.00 N ATOM 0 H ASN A 387 0.408 0.431 9.900 1.00 15.00 H new ATOM 0 HA ASN A 387 0.326 0.610 12.807 1.00 15.00 H new ATOM 0 HB2 ASN A 387 2.331 0.047 11.379 1.00 15.00 H new ATOM 0 HB3 ASN A 387 2.200 1.621 10.620 1.00 15.00 H new ATOM 0 HD21 ASN A 387 3.757 3.419 13.243 1.00 15.00 H new ATOM 0 HD22 ASN A 387 2.812 3.508 11.754 1.00 15.00 H new ATOM 352 N ASN A 388 -0.445 3.093 10.886 1.00 15.00 N ATOM 353 CA ASN A 388 -1.022 4.433 10.860 1.00 15.00 C ATOM 354 C ASN A 388 -2.459 4.400 10.352 1.00 15.00 C ATOM 355 O ASN A 388 -3.190 5.383 10.473 1.00 15.00 O ATOM 356 CB ASN A 388 -0.177 5.378 10.000 1.00 15.00 C ATOM 357 CG ASN A 388 1.101 5.813 10.698 1.00 15.00 C ATOM 358 OD1 ASN A 388 2.131 5.139 10.620 1.00 15.00 O ATOM 359 ND2 ASN A 388 1.041 6.940 11.391 1.00 15.00 N ATOM 0 H ASN A 388 -0.417 2.635 9.975 1.00 15.00 H new ATOM 0 HA ASN A 388 -1.027 4.810 11.883 1.00 15.00 H new ATOM 0 HB2 ASN A 388 0.075 4.883 9.062 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -0.767 6.259 9.747 1.00 15.00 H new ATOM 0 HD21 ASN A 388 1.866 7.279 11.885 1.00 15.00 H new ATOM 0 HD22 ASN A 388 0.170 7.469 11.431 1.00 15.00 H new ATOM 366 N ARG A 389 -2.841 3.267 9.748 1.00 15.00 N ATOM 367 CA ARG A 389 -4.171 3.093 9.154 1.00 15.00 C ATOM 368 C ARG A 389 -4.278 3.900 7.867 1.00 15.00 C ATOM 369 O ARG A 389 -4.946 4.932 7.819 1.00 15.00 O ATOM 370 CB ARG A 389 -5.313 3.458 10.126 1.00 15.00 C ATOM 371 CG ARG A 389 -5.480 2.490 11.294 1.00 15.00 C ATOM 372 CD ARG A 389 -4.434 2.700 12.374 1.00 15.00 C ATOM 373 NE ARG A 389 -4.292 1.528 13.233 1.00 15.00 N ATOM 374 CZ ARG A 389 -3.356 1.403 14.173 1.00 15.00 C ATOM 375 NH1 ARG A 389 -2.568 2.427 14.475 1.00 15.00 N1+ ATOM 376 NH2 ARG A 389 -3.234 0.259 14.828 1.00 15.00 N ATOM 0 H ARG A 389 -2.239 2.449 9.658 1.00 15.00 H new ATOM 0 HA ARG A 389 -4.287 2.033 8.927 1.00 15.00 H new ATOM 0 HB2 ARG A 389 -5.132 4.457 10.521 1.00 15.00 H new ATOM 0 HB3 ARG A 389 -6.249 3.501 9.568 1.00 15.00 H new ATOM 0 HG2 ARG A 389 -6.473 2.613 11.725 1.00 15.00 H new ATOM 0 HG3 ARG A 389 -5.417 1.466 10.926 1.00 15.00 H new ATOM 0 HD2 ARG A 389 -3.474 2.928 11.910 1.00 15.00 H new ATOM 0 HD3 ARG A 389 -4.708 3.563 12.981 1.00 15.00 H new ATOM 0 HE ARG A 389 -4.949 0.758 13.106 1.00 15.00 H new ATOM 0 HH11 ARG A 389 -2.677 3.316 13.987 1.00 15.00 H new ATOM 0 HH12 ARG A 389 -1.853 2.325 15.196 1.00 15.00 H new ATOM 0 HH21 ARG A 389 -3.855 -0.521 14.612 1.00 15.00 H new ATOM 0 HH22 ARG A 389 -2.519 0.158 15.549 1.00 15.00 H new ATOM 390 N THR A 390 -3.566 3.458 6.838 1.00 15.00 N ATOM 391 CA THR A 390 -3.439 4.251 5.624 1.00 15.00 C ATOM 392 C THR A 390 -3.387 3.385 4.349 1.00 15.00 C ATOM 393 O THR A 390 -2.902 2.254 4.388 1.00 15.00 O ATOM 394 CB THR A 390 -2.156 5.118 5.731 1.00 15.00 C ATOM 395 OG1 THR A 390 -2.352 6.155 6.695 1.00 15.00 O ATOM 396 CG2 THR A 390 -1.719 5.720 4.396 1.00 15.00 C ATOM 0 H THR A 390 -3.073 2.565 6.820 1.00 15.00 H new ATOM 0 HA THR A 390 -4.326 4.879 5.537 1.00 15.00 H new ATOM 0 HB THR A 390 -1.353 4.453 6.049 1.00 15.00 H new ATOM 0 HG1 THR A 390 -1.539 6.699 6.761 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.817 6.314 4.543 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.515 4.919 3.685 1.00 15.00 H new ATOM 0 HG23 THR A 390 -2.513 6.357 4.007 1.00 15.00 H new ATOM 404 N THR A 391 -3.893 3.930 3.231 1.00 15.00 N ATOM 405 CA THR A 391 -3.805 3.299 1.925 1.00 15.00 C ATOM 406 C THR A 391 -3.211 4.313 0.932 1.00 15.00 C ATOM 407 O THR A 391 -3.733 5.421 0.798 1.00 15.00 O ATOM 408 CB THR A 391 -5.201 2.834 1.449 1.00 15.00 C ATOM 409 OG1 THR A 391 -5.184 2.572 0.048 1.00 15.00 O ATOM 410 CG2 THR A 391 -6.271 3.872 1.764 1.00 15.00 C ATOM 0 H THR A 391 -4.376 4.828 3.219 1.00 15.00 H new ATOM 0 HA THR A 391 -3.164 2.419 1.985 1.00 15.00 H new ATOM 0 HB THR A 391 -5.445 1.918 1.987 1.00 15.00 H new ATOM 0 HG1 THR A 391 -5.051 1.613 -0.104 1.00 15.00 H new ATOM 0 HG21 THR A 391 -7.240 3.513 1.416 1.00 15.00 H new ATOM 0 HG22 THR A 391 -6.311 4.038 2.841 1.00 15.00 H new ATOM 0 HG23 THR A 391 -6.029 4.808 1.261 1.00 15.00 H new ATOM 418 N THR A 392 -2.112 3.970 0.261 1.00 15.00 N ATOM 419 CA THR A 392 -1.382 4.980 -0.494 1.00 15.00 C ATOM 420 C THR A 392 -0.658 4.412 -1.720 1.00 15.00 C ATOM 421 O THR A 392 -0.270 3.239 -1.742 1.00 15.00 O ATOM 422 CB THR A 392 -0.372 5.687 0.428 1.00 15.00 C ATOM 423 OG1 THR A 392 0.188 6.835 -0.225 1.00 15.00 O ATOM 424 CG2 THR A 392 0.747 4.745 0.853 1.00 15.00 C ATOM 0 H THR A 392 -1.719 3.029 0.225 1.00 15.00 H new ATOM 0 HA THR A 392 -2.120 5.691 -0.867 1.00 15.00 H new ATOM 0 HB THR A 392 -0.912 6.006 1.320 1.00 15.00 H new ATOM 0 HG1 THR A 392 1.160 6.840 -0.101 1.00 15.00 H new ATOM 0 HG21 THR A 392 1.442 5.276 1.503 1.00 15.00 H new ATOM 0 HG22 THR A 392 0.324 3.896 1.390 1.00 15.00 H new ATOM 0 HG23 THR A 392 1.277 4.388 -0.030 1.00 15.00 H new ATOM 432 N TRP A 393 -0.510 5.253 -2.751 1.00 15.00 N ATOM 433 CA TRP A 393 0.293 4.906 -3.924 1.00 15.00 C ATOM 434 C TRP A 393 1.783 5.051 -3.614 1.00 15.00 C ATOM 435 O TRP A 393 2.628 4.440 -4.271 1.00 15.00 O ATOM 436 CB TRP A 393 -0.002 5.827 -5.124 1.00 15.00 C ATOM 437 CG TRP A 393 -1.393 5.786 -5.696 1.00 15.00 C ATOM 438 CD1 TRP A 393 -2.052 6.837 -6.271 1.00 15.00 C ATOM 439 CD2 TRP A 393 -2.283 4.667 -5.785 1.00 15.00 C ATOM 440 NE1 TRP A 393 -3.286 6.444 -6.704 1.00 15.00 N ATOM 441 CE2 TRP A 393 -3.454 5.120 -6.418 1.00 15.00 C ATOM 442 CE3 TRP A 393 -2.210 3.333 -5.395 1.00 15.00 C ATOM 443 CZ2 TRP A 393 -4.534 4.286 -6.666 1.00 15.00 C ATOM 444 CZ3 TRP A 393 -3.287 2.506 -5.642 1.00 15.00 C ATOM 445 CH2 TRP A 393 -4.433 2.984 -6.273 1.00 15.00 C ATOM 0 H TRP A 393 -0.937 6.178 -2.794 1.00 15.00 H new ATOM 0 HA TRP A 393 0.034 3.877 -4.174 1.00 15.00 H new ATOM 0 HB2 TRP A 393 0.209 6.853 -4.822 1.00 15.00 H new ATOM 0 HB3 TRP A 393 0.699 5.578 -5.921 1.00 15.00 H new ATOM 0 HD1 TRP A 393 -1.653 7.836 -6.369 1.00 15.00 H new ATOM 0 HE1 TRP A 393 -3.971 7.042 -7.166 1.00 15.00 H new ATOM 0 HE3 TRP A 393 -1.325 2.951 -4.907 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 -5.424 4.655 -7.154 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 -3.240 1.470 -5.341 1.00 15.00 H new ATOM 0 HH2 TRP A 393 -5.258 2.311 -6.455 1.00 15.00 H new ATOM 456 N THR A 394 2.093 5.896 -2.636 1.00 15.00 N ATOM 457 CA THR A 394 3.467 6.324 -2.398 1.00 15.00 C ATOM 458 C THR A 394 4.288 5.271 -1.661 1.00 15.00 C ATOM 459 O THR A 394 3.753 4.473 -0.888 1.00 15.00 O ATOM 460 CB THR A 394 3.518 7.659 -1.623 1.00 15.00 C ATOM 461 OG1 THR A 394 2.778 7.567 -0.396 1.00 15.00 O ATOM 462 CG2 THR A 394 2.959 8.793 -2.470 1.00 15.00 C ATOM 0 H THR A 394 1.410 6.299 -1.994 1.00 15.00 H new ATOM 0 HA THR A 394 3.911 6.467 -3.383 1.00 15.00 H new ATOM 0 HB THR A 394 4.562 7.868 -1.391 1.00 15.00 H new ATOM 0 HG1 THR A 394 2.825 8.423 0.079 1.00 15.00 H new ATOM 0 HG21 THR A 394 3.004 9.725 -1.906 1.00 15.00 H new ATOM 0 HG22 THR A 394 3.549 8.892 -3.381 1.00 15.00 H new ATOM 0 HG23 THR A 394 1.923 8.576 -2.730 1.00 15.00 H new ATOM 470 N ARG A 395 5.590 5.267 -1.927 1.00 15.00 N ATOM 471 CA ARG A 395 6.508 4.339 -1.283 1.00 15.00 C ATOM 472 C ARG A 395 6.685 4.682 0.193 1.00 15.00 C ATOM 473 O ARG A 395 6.971 5.826 0.550 1.00 15.00 O ATOM 474 CB ARG A 395 7.864 4.354 -1.995 1.00 15.00 C ATOM 475 CG ARG A 395 7.960 3.355 -3.134 1.00 15.00 C ATOM 476 CD ARG A 395 7.839 1.941 -2.606 1.00 15.00 C ATOM 477 NE ARG A 395 7.929 0.929 -3.653 1.00 15.00 N ATOM 478 CZ ARG A 395 8.248 -0.340 -3.416 1.00 15.00 C ATOM 479 NH1 ARG A 395 8.589 -0.714 -2.192 1.00 15.00 N1+ ATOM 480 NH2 ARG A 395 8.240 -1.232 -4.398 1.00 15.00 N ATOM 0 H ARG A 395 6.034 5.902 -2.590 1.00 15.00 H new ATOM 0 HA ARG A 395 6.083 3.338 -1.352 1.00 15.00 H new ATOM 0 HB2 ARG A 395 8.051 5.355 -2.383 1.00 15.00 H new ATOM 0 HB3 ARG A 395 8.649 4.142 -1.269 1.00 15.00 H new ATOM 0 HG2 ARG A 395 7.172 3.547 -3.862 1.00 15.00 H new ATOM 0 HG3 ARG A 395 8.911 3.476 -3.654 1.00 15.00 H new ATOM 0 HD2 ARG A 395 8.625 1.766 -1.871 1.00 15.00 H new ATOM 0 HD3 ARG A 395 6.887 1.834 -2.086 1.00 15.00 H new ATOM 0 HE ARG A 395 7.738 1.209 -4.615 1.00 15.00 H new ATOM 0 HH11 ARG A 395 8.606 -0.030 -1.436 1.00 15.00 H new ATOM 0 HH12 ARG A 395 8.834 -1.686 -2.006 1.00 15.00 H new ATOM 0 HH21 ARG A 395 7.988 -0.947 -5.344 1.00 15.00 H new ATOM 0 HH22 ARG A 395 8.486 -2.203 -4.207 1.00 15.00 H new ATOM 494 N PRO A 396 6.547 3.673 1.064 1.00 15.00 N ATOM 495 CA PRO A 396 6.602 3.855 2.515 1.00 15.00 C ATOM 496 C PRO A 396 7.999 4.204 3.009 1.00 15.00 C ATOM 497 O PRO A 396 8.982 3.568 2.637 1.00 15.00 O ATOM 498 CB PRO A 396 6.185 2.484 3.072 1.00 15.00 C ATOM 499 CG PRO A 396 5.608 1.741 1.915 1.00 15.00 C ATOM 500 CD PRO A 396 6.309 2.271 0.704 1.00 15.00 C ATOM 0 HA PRO A 396 5.964 4.679 2.834 1.00 15.00 H new ATOM 0 HB2 PRO A 396 7.041 1.954 3.491 1.00 15.00 H new ATOM 0 HB3 PRO A 396 5.454 2.592 3.873 1.00 15.00 H new ATOM 0 HG2 PRO A 396 5.766 0.668 2.021 1.00 15.00 H new ATOM 0 HG3 PRO A 396 4.532 1.899 1.845 1.00 15.00 H new ATOM 0 HD2 PRO A 396 7.240 1.739 0.508 1.00 15.00 H new ATOM 0 HD3 PRO A 396 5.695 2.181 -0.192 1.00 15.00 H new ATOM 508 N ILE A 397 8.066 5.213 3.867 1.00 15.00 N ATOM 509 CA ILE A 397 9.318 5.630 4.488 1.00 15.00 C ATOM 510 C ILE A 397 9.764 4.606 5.543 1.00 15.00 C ATOM 511 O ILE A 397 10.891 4.640 6.032 1.00 15.00 O ATOM 512 CB ILE A 397 9.172 7.034 5.129 1.00 15.00 C ATOM 513 CG1 ILE A 397 10.528 7.552 5.620 1.00 15.00 C ATOM 514 CG2 ILE A 397 8.165 7.002 6.272 1.00 15.00 C ATOM 515 CD1 ILE A 397 10.479 8.953 6.193 1.00 15.00 C ATOM 0 H ILE A 397 7.257 5.765 4.152 1.00 15.00 H new ATOM 0 HA ILE A 397 10.081 5.684 3.711 1.00 15.00 H new ATOM 0 HB ILE A 397 8.802 7.718 4.365 1.00 15.00 H new ATOM 0 HG12 ILE A 397 10.912 6.872 6.381 1.00 15.00 H new ATOM 0 HG13 ILE A 397 11.235 7.534 4.790 1.00 15.00 H new ATOM 0 HG21 ILE A 397 8.078 7.997 6.708 1.00 15.00 H new ATOM 0 HG22 ILE A 397 7.194 6.686 5.892 1.00 15.00 H new ATOM 0 HG23 ILE A 397 8.502 6.300 7.035 1.00 15.00 H new ATOM 0 HD11 ILE A 397 11.477 9.248 6.518 1.00 15.00 H new ATOM 0 HD12 ILE A 397 10.127 9.646 5.429 1.00 15.00 H new ATOM 0 HD13 ILE A 397 9.799 8.974 7.044 1.00 15.00 H new ATOM 527 N MET A 398 8.874 3.658 5.853 1.00 15.00 N ATOM 528 CA MET A 398 9.105 2.669 6.920 1.00 15.00 C ATOM 529 C MET A 398 10.108 1.645 6.577 1.00 15.00 C ATOM 530 O MET A 398 10.581 0.805 7.340 1.00 15.00 O ATOM 531 CB MET A 398 7.829 2.091 7.538 1.00 15.00 C ATOM 532 CG MET A 398 6.859 3.148 8.034 1.00 15.00 C ATOM 533 SD MET A 398 7.609 4.287 9.213 1.00 15.00 S ATOM 534 CE MET A 398 8.055 3.165 10.538 1.00 15.00 C ATOM 0 H MET A 398 7.978 3.552 5.377 1.00 15.00 H new ATOM 0 HA MET A 398 9.555 3.251 7.724 1.00 15.00 H new ATOM 0 HB2 MET A 398 7.327 1.468 6.797 1.00 15.00 H new ATOM 0 HB3 MET A 398 8.101 1.441 8.370 1.00 15.00 H new ATOM 0 HG2 MET A 398 6.478 3.712 7.183 1.00 15.00 H new ATOM 0 HG3 MET A 398 6.004 2.659 8.501 1.00 15.00 H new ATOM 0 HE1 MET A 398 8.280 3.737 11.438 1.00 15.00 H new ATOM 0 HE2 MET A 398 7.224 2.488 10.737 1.00 15.00 H new ATOM 0 HE3 MET A 398 8.932 2.587 10.246 1.00 15.00 H new ATOM 544 N GLN A 399 10.361 1.821 5.413 1.00 15.00 N ATOM 545 CA GLN A 399 11.167 0.952 4.570 1.00 15.00 C ATOM 546 C GLN A 399 12.649 1.235 4.809 1.00 15.00 C ATOM 547 O GLN A 399 13.519 0.478 4.380 1.00 15.00 O ATOM 548 CB GLN A 399 10.810 1.172 3.099 1.00 15.00 C ATOM 549 CG GLN A 399 11.279 0.066 2.168 1.00 15.00 C ATOM 550 CD GLN A 399 10.967 0.370 0.716 1.00 15.00 C ATOM 551 OE1 GLN A 399 9.887 0.050 0.217 1.00 15.00 O ATOM 552 NE2 GLN A 399 11.912 0.990 0.029 1.00 15.00 N ATOM 0 H GLN A 399 10.011 2.634 4.907 1.00 15.00 H new ATOM 0 HA GLN A 399 10.962 -0.088 4.823 1.00 15.00 H new ATOM 0 HB2 GLN A 399 9.728 1.270 3.011 1.00 15.00 H new ATOM 0 HB3 GLN A 399 11.244 2.116 2.770 1.00 15.00 H new ATOM 0 HG2 GLN A 399 12.354 -0.074 2.285 1.00 15.00 H new ATOM 0 HG3 GLN A 399 10.802 -0.872 2.452 1.00 15.00 H new ATOM 0 HE21 GLN A 399 12.792 1.237 0.481 1.00 15.00 H new ATOM 0 HE22 GLN A 399 11.760 1.221 -0.953 1.00 15.00 H new ATOM 561 N LEU A 400 12.920 2.345 5.487 1.00 15.00 N ATOM 562 CA LEU A 400 14.279 2.716 5.849 1.00 15.00 C ATOM 563 C LEU A 400 14.604 2.180 7.238 1.00 15.00 C ATOM 564 O LEU A 400 15.156 1.064 7.329 1.00 15.00 O ATOM 565 CB LEU A 400 14.467 4.244 5.817 1.00 15.00 C ATOM 566 CG LEU A 400 14.565 4.887 4.423 1.00 15.00 C ATOM 567 CD1 LEU A 400 13.251 4.783 3.663 1.00 15.00 C ATOM 568 CD2 LEU A 400 14.991 6.342 4.545 1.00 15.00 C ATOM 569 OXT LEU A 400 14.282 2.863 8.234 1.00 15.00 O ATOM 0 H LEU A 400 12.209 3.007 5.798 1.00 15.00 H new ATOM 0 HA LEU A 400 14.960 2.278 5.119 1.00 15.00 H new ATOM 0 HB2 LEU A 400 13.633 4.703 6.348 1.00 15.00 H new ATOM 0 HB3 LEU A 400 15.372 4.490 6.372 1.00 15.00 H new ATOM 0 HG LEU A 400 15.318 4.340 3.856 1.00 15.00 H new ATOM 0 HD11 LEU A 400 13.360 5.248 2.683 1.00 15.00 H new ATOM 0 HD12 LEU A 400 12.985 3.733 3.539 1.00 15.00 H new ATOM 0 HD13 LEU A 400 12.466 5.293 4.222 1.00 15.00 H new ATOM 0 HD21 LEU A 400 15.057 6.786 3.552 1.00 15.00 H new ATOM 0 HD22 LEU A 400 14.257 6.887 5.139 1.00 15.00 H new ATOM 0 HD23 LEU A 400 15.965 6.396 5.032 1.00 15.00 H new TER 581 LEU A 400 ATOM 582 N GLU B 178 -6.405 8.199 -13.145 1.00 15.00 N ATOM 583 CA GLU B 178 -6.268 7.152 -12.106 1.00 15.00 C ATOM 584 C GLU B 178 -7.527 7.084 -11.255 1.00 15.00 C ATOM 585 O GLU B 178 -7.985 8.110 -10.753 1.00 15.00 O ATOM 586 CB GLU B 178 -5.081 7.460 -11.174 1.00 15.00 C ATOM 587 CG GLU B 178 -3.904 8.141 -11.852 1.00 15.00 C ATOM 588 CD GLU B 178 -3.385 7.361 -13.033 1.00 15.00 C ATOM 589 OE1 GLU B 178 -2.544 6.464 -12.836 1.00 15.00 O1- ATOM 590 OE2 GLU B 178 -3.829 7.641 -14.164 1.00 15.00 O ATOM 0 HA GLU B 178 -6.103 6.203 -12.616 1.00 15.00 H new ATOM 0 HB2 GLU B 178 -5.431 8.094 -10.359 1.00 15.00 H new ATOM 0 HB3 GLU B 178 -4.736 6.528 -10.727 1.00 15.00 H new ATOM 0 HG2 GLU B 178 -4.205 9.135 -12.182 1.00 15.00 H new ATOM 0 HG3 GLU B 178 -3.100 8.275 -11.128 1.00 15.00 H new HETATM 599 N TPO B 179 -8.096 5.897 -11.087 1.00 15.00 N HETATM 600 CA TPO B 179 -9.098 5.714 -10.054 1.00 15.00 C HETATM 601 CB TPO B 179 -10.170 4.706 -10.503 1.00 15.00 C HETATM 602 CG2 TPO B 179 -11.342 5.419 -11.161 1.00 15.00 C HETATM 603 OG1 TPO B 179 -9.594 3.766 -11.418 1.00 15.00 O HETATM 604 P TPO B 179 -9.470 2.181 -11.122 1.00 15.00 P HETATM 605 O1P TPO B 179 -8.069 1.897 -10.803 1.00 15.00 O HETATM 606 O2P TPO B 179 -10.322 1.839 -9.981 1.00 15.00 O HETATM 607 O3P TPO B 179 -9.881 1.445 -12.321 1.00 15.00 O HETATM 608 C TPO B 179 -8.403 5.232 -8.778 1.00 15.00 C HETATM 609 O TPO B 179 -7.771 4.176 -8.765 1.00 15.00 O HETATM 0 HG23 TPO B 179 -11.790 6.114 -10.451 1.00 15.00 H new HETATM 0 HG22 TPO B 179 -10.990 5.969 -12.034 1.00 15.00 H new HETATM 0 HG21 TPO B 179 -12.087 4.686 -11.470 1.00 15.00 H new HETATM 0 HB TPO B 179 -10.541 4.178 -9.624 1.00 15.00 H new HETATM 0 HA TPO B 179 -9.601 6.662 -9.863 1.00 15.00 H new HETATM 0 H TPO B 179 -8.170 5.384 -11.966 1.00 15.00 H new ATOM 616 N PRO B 180 -8.507 6.011 -7.691 1.00 15.00 N ATOM 617 CA PRO B 180 -7.809 5.765 -6.431 1.00 15.00 C ATOM 618 C PRO B 180 -7.767 4.432 -5.732 1.00 15.00 C ATOM 619 O PRO B 180 -8.380 3.425 -6.099 1.00 15.00 O ATOM 620 CB PRO B 180 -8.553 6.735 -5.534 1.00 15.00 C ATOM 621 CG PRO B 180 -8.293 7.866 -6.355 1.00 15.00 C ATOM 622 CD PRO B 180 -8.961 7.422 -7.647 1.00 15.00 C ATOM 0 HA PRO B 180 -6.745 5.852 -6.650 1.00 15.00 H new ATOM 0 HB2 PRO B 180 -9.613 6.507 -5.422 1.00 15.00 H new ATOM 0 HB3 PRO B 180 -8.136 6.815 -4.530 1.00 15.00 H new ATOM 0 HG2 PRO B 180 -8.730 8.780 -5.954 1.00 15.00 H new ATOM 0 HG3 PRO B 180 -7.226 8.052 -6.481 1.00 15.00 H new ATOM 0 HD2 PRO B 180 -10.047 7.511 -7.608 1.00 15.00 H new ATOM 0 HD3 PRO B 180 -8.625 7.996 -8.510 1.00 15.00 H new ATOM 630 N PRO B 181 -6.931 4.507 -4.675 1.00 15.00 N ATOM 631 CA PRO B 181 -6.597 3.414 -3.761 1.00 15.00 C ATOM 632 C PRO B 181 -7.808 2.740 -3.127 1.00 15.00 C ATOM 633 O PRO B 181 -8.782 3.397 -2.751 1.00 15.00 O ATOM 634 CB PRO B 181 -5.775 4.113 -2.665 1.00 15.00 C ATOM 635 CG PRO B 181 -6.008 5.581 -2.850 1.00 15.00 C ATOM 636 CD PRO B 181 -6.249 5.775 -4.279 1.00 15.00 C ATOM 0 HA PRO B 181 -6.082 2.614 -4.292 1.00 15.00 H new ATOM 0 HB2 PRO B 181 -6.091 3.789 -1.673 1.00 15.00 H new ATOM 0 HB3 PRO B 181 -4.716 3.871 -2.757 1.00 15.00 H new ATOM 0 HG2 PRO B 181 -6.861 5.918 -2.261 1.00 15.00 H new ATOM 0 HG3 PRO B 181 -5.145 6.158 -2.518 1.00 15.00 H new ATOM 0 HD2 PRO B 181 -6.875 6.647 -4.469 1.00 15.00 H new ATOM 0 HD3 PRO B 181 -5.320 5.923 -4.829 1.00 15.00 H new ATOM 644 N PRO B 182 -7.734 1.411 -2.990 1.00 15.00 N ATOM 645 CA PRO B 182 -8.679 0.626 -2.194 1.00 15.00 C ATOM 646 C PRO B 182 -8.481 0.919 -0.712 1.00 15.00 C ATOM 647 O PRO B 182 -7.375 1.257 -0.302 1.00 15.00 O ATOM 648 CB PRO B 182 -8.312 -0.832 -2.508 1.00 15.00 C ATOM 649 CG PRO B 182 -7.396 -0.775 -3.685 1.00 15.00 C ATOM 650 CD PRO B 182 -6.712 0.555 -3.608 1.00 15.00 C ATOM 0 HA PRO B 182 -9.720 0.852 -2.424 1.00 15.00 H new ATOM 0 HB2 PRO B 182 -7.825 -1.305 -1.655 1.00 15.00 H new ATOM 0 HB3 PRO B 182 -9.202 -1.420 -2.733 1.00 15.00 H new ATOM 0 HG2 PRO B 182 -6.672 -1.589 -3.656 1.00 15.00 H new ATOM 0 HG3 PRO B 182 -7.951 -0.875 -4.618 1.00 15.00 H new ATOM 0 HD2 PRO B 182 -5.805 0.509 -3.006 1.00 15.00 H new ATOM 0 HD3 PRO B 182 -6.422 0.918 -4.594 1.00 15.00 H new ATOM 658 N GLY B 183 -9.547 0.815 0.074 1.00 15.00 N ATOM 659 CA GLY B 183 -9.486 1.152 1.493 1.00 15.00 C ATOM 660 C GLY B 183 -8.383 0.439 2.271 1.00 15.00 C ATOM 661 O GLY B 183 -7.665 -0.408 1.741 1.00 15.00 O ATOM 0 H GLY B 183 -10.463 0.501 -0.246 1.00 15.00 H new ATOM 0 HA2 GLY B 183 -9.344 2.228 1.591 1.00 15.00 H new ATOM 0 HA3 GLY B 183 -10.446 0.914 1.951 1.00 15.00 H new ATOM 665 N TYR B 184 -8.298 0.742 3.558 1.00 15.00 N ATOM 666 CA TYR B 184 -7.202 0.270 4.393 1.00 15.00 C ATOM 667 C TYR B 184 -7.493 -1.097 5.057 1.00 15.00 C ATOM 668 O TYR B 184 -8.530 -1.281 5.695 1.00 15.00 O ATOM 669 CB TYR B 184 -6.859 1.345 5.445 1.00 15.00 C ATOM 670 CG TYR B 184 -6.336 0.788 6.749 1.00 15.00 C ATOM 671 CD1 TYR B 184 -5.048 0.292 6.874 1.00 15.00 C ATOM 672 CD2 TYR B 184 -7.165 0.749 7.860 1.00 15.00 C ATOM 673 CE1 TYR B 184 -4.605 -0.226 8.077 1.00 15.00 C ATOM 674 CE2 TYR B 184 -6.731 0.232 9.058 1.00 15.00 C ATOM 675 CZ TYR B 184 -5.450 -0.253 9.165 1.00 15.00 C ATOM 676 OH TYR B 184 -5.017 -0.771 10.365 1.00 15.00 O ATOM 0 H TYR B 184 -8.981 1.318 4.051 1.00 15.00 H new ATOM 0 HA TYR B 184 -6.339 0.105 3.747 1.00 15.00 H new ATOM 0 HB2 TYR B 184 -6.114 2.022 5.027 1.00 15.00 H new ATOM 0 HB3 TYR B 184 -7.751 1.938 5.647 1.00 15.00 H new ATOM 0 HD1 TYR B 184 -4.383 0.310 6.023 1.00 15.00 H new ATOM 0 HD2 TYR B 184 -8.172 1.132 7.783 1.00 15.00 H new ATOM 0 HE1 TYR B 184 -3.599 -0.609 8.164 1.00 15.00 H new ATOM 0 HE2 TYR B 184 -7.394 0.207 9.910 1.00 15.00 H new ATOM 0 HH TYR B 184 -5.738 -0.712 11.026 1.00 15.00 H new ATOM 686 N LEU B 185 -6.547 -2.045 4.893 1.00 15.00 N ATOM 687 CA LEU B 185 -6.625 -3.384 5.466 1.00 15.00 C ATOM 688 C LEU B 185 -7.836 -4.170 5.059 1.00 15.00 C ATOM 689 O LEU B 185 -8.784 -4.370 5.820 1.00 15.00 O ATOM 690 CB LEU B 185 -6.403 -3.430 6.969 1.00 15.00 C ATOM 691 CG LEU B 185 -4.953 -3.627 7.357 1.00 15.00 C ATOM 692 CD1 LEU B 185 -4.800 -3.626 8.870 1.00 15.00 C ATOM 693 CD2 LEU B 185 -4.418 -4.928 6.771 1.00 15.00 C ATOM 0 H LEU B 185 -5.699 -1.889 4.349 1.00 15.00 H new ATOM 0 HA LEU B 185 -5.775 -3.893 5.012 1.00 15.00 H new ATOM 0 HB2 LEU B 185 -6.767 -2.502 7.411 1.00 15.00 H new ATOM 0 HB3 LEU B 185 -6.998 -4.240 7.392 1.00 15.00 H new ATOM 0 HG LEU B 185 -4.373 -2.798 6.951 1.00 15.00 H new ATOM 0 HD11 LEU B 185 -3.751 -3.769 9.130 1.00 15.00 H new ATOM 0 HD12 LEU B 185 -5.146 -2.673 9.270 1.00 15.00 H new ATOM 0 HD13 LEU B 185 -5.393 -4.435 9.296 1.00 15.00 H new ATOM 0 HD21 LEU B 185 -3.374 -5.055 7.059 1.00 15.00 H new ATOM 0 HD22 LEU B 185 -5.003 -5.766 7.150 1.00 15.00 H new ATOM 0 HD23 LEU B 185 -4.493 -4.895 5.684 1.00 15.00 H new ATOM 705 N SER B 186 -7.803 -4.532 3.812 1.00 15.00 N ATOM 706 CA SER B 186 -8.564 -5.624 3.301 1.00 15.00 C ATOM 707 C SER B 186 -7.761 -6.182 2.144 1.00 15.00 C ATOM 708 O SER B 186 -7.778 -5.639 1.042 1.00 15.00 O ATOM 709 CB SER B 186 -9.939 -5.133 2.868 1.00 15.00 C ATOM 710 OG SER B 186 -10.688 -6.155 2.228 1.00 15.00 O ATOM 0 H SER B 186 -7.232 -4.064 3.108 1.00 15.00 H new ATOM 0 HA SER B 186 -8.738 -6.401 4.045 1.00 15.00 H new ATOM 0 HB2 SER B 186 -10.487 -4.772 3.739 1.00 15.00 H new ATOM 0 HB3 SER B 186 -9.826 -4.287 2.190 1.00 15.00 H new ATOM 0 HG SER B 186 -11.564 -5.803 1.966 1.00 15.00 H new ATOM 716 N GLU B 187 -7.036 -7.256 2.403 1.00 15.00 N ATOM 717 CA GLU B 187 -6.036 -7.719 1.460 1.00 15.00 C ATOM 718 C GLU B 187 -6.248 -9.200 1.188 1.00 15.00 C ATOM 719 O GLU B 187 -5.886 -10.052 2.001 1.00 15.00 O ATOM 720 CB GLU B 187 -4.606 -7.453 1.989 1.00 15.00 C ATOM 721 CG GLU B 187 -4.422 -6.116 2.703 1.00 15.00 C ATOM 722 CD GLU B 187 -4.805 -4.908 1.866 1.00 15.00 C ATOM 723 OE1 GLU B 187 -4.363 -4.810 0.702 1.00 15.00 O ATOM 724 OE2 GLU B 187 -5.536 -4.039 2.386 1.00 15.00 O1- ATOM 0 H GLU B 187 -7.120 -7.818 3.250 1.00 15.00 H new ATOM 0 HA GLU B 187 -6.145 -7.165 0.527 1.00 15.00 H new ATOM 0 HB2 GLU B 187 -4.333 -8.255 2.675 1.00 15.00 H new ATOM 0 HB3 GLU B 187 -3.910 -7.500 1.151 1.00 15.00 H new ATOM 0 HG2 GLU B 187 -5.020 -6.118 3.614 1.00 15.00 H new ATOM 0 HG3 GLU B 187 -3.380 -6.019 3.006 1.00 15.00 H new ATOM 731 N ASP B 188 -6.885 -9.494 0.066 1.00 15.00 N ATOM 732 CA ASP B 188 -7.243 -10.865 -0.276 1.00 15.00 C ATOM 733 C ASP B 188 -6.312 -11.419 -1.350 1.00 15.00 C ATOM 734 O ASP B 188 -6.191 -12.632 -1.523 1.00 15.00 O ATOM 735 CB ASP B 188 -8.703 -10.915 -0.744 1.00 15.00 C ATOM 736 CG ASP B 188 -9.169 -12.307 -1.123 1.00 15.00 C ATOM 737 OD1 ASP B 188 -9.544 -13.085 -0.219 1.00 15.00 O ATOM 738 OD2 ASP B 188 -9.195 -12.621 -2.331 1.00 15.00 O1- ATOM 0 H ASP B 188 -7.166 -8.800 -0.627 1.00 15.00 H new ATOM 0 HA ASP B 188 -7.133 -11.489 0.611 1.00 15.00 H new ATOM 0 HB2 ASP B 188 -9.344 -10.529 0.049 1.00 15.00 H new ATOM 0 HB3 ASP B 188 -8.824 -10.254 -1.602 1.00 15.00 H new ATOM 743 N GLY B 189 -5.661 -10.524 -2.076 1.00 15.00 N ATOM 744 CA GLY B 189 -4.745 -10.938 -3.117 1.00 15.00 C ATOM 745 C GLY B 189 -4.825 -10.035 -4.325 1.00 15.00 C ATOM 746 O GLY B 189 -5.131 -8.838 -4.150 1.00 15.00 O ATOM 747 OXT GLY B 189 -4.591 -10.515 -5.453 1.00 15.00 O ATOM 0 H GLY B 189 -5.751 -9.514 -1.962 1.00 15.00 H new ATOM 0 HA2 GLY B 189 -3.727 -10.935 -2.728 1.00 15.00 H new ATOM 0 HA3 GLY B 189 -4.970 -11.963 -3.413 1.00 15.00 H new TER 751 GLY B 189