USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 338 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 392 THR OG1 : rot 180:sc= 0.406 USER MOD Set 1.2: A 394 THR OG1 : rot 86:sc= 0.0864 USER MOD Set 2.1: A 386 HIS : no HD1:sc= 0.864 K(o=0.76,f=-5.9!) USER MOD Set 2.2: B 211 TYR OH : rot -173:sc= -0.0991 USER MOD Set 3.1: A 385 ASN : amide:sc= -0.0887! C(o=-3.9!,f=-14!) USER MOD Set 3.2: A 388 ASN : amide:sc= -3.77! C(o=-3.9!,f=-13!) USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ -170:sc= 1.26 (180deg=1.16) USER MOD Single : A 378 LYS NZ :NH3+ 166:sc= 1.84 (180deg=1.01!) USER MOD Single : A 381 THR OG1 : rot 48:sc= 0.416 USER MOD Single : A 382 TYR OH : rot 180:sc= 0 USER MOD Single : A 383 TYR OH : rot 30:sc= -0.0117 USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 40:sc= -0.589 USER MOD Single : B 206 SER OG : rot 180:sc= 0 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl -160:sc= -0.187 (180deg=-0.794) USER MOD ----------------------------------------------------------------- ATOM 24 N LEU A 367 -13.073 1.840 -0.178 1.00 15.00 N ATOM 25 CA LEU A 367 -11.791 2.514 -0.053 1.00 15.00 C ATOM 26 C LEU A 367 -11.853 3.443 1.158 1.00 15.00 C ATOM 27 O LEU A 367 -12.695 4.341 1.205 1.00 15.00 O ATOM 28 CB LEU A 367 -11.477 3.304 -1.339 1.00 15.00 C ATOM 29 CG LEU A 367 -10.009 3.728 -1.543 1.00 15.00 C ATOM 30 CD1 LEU A 367 -9.786 4.176 -2.977 1.00 15.00 C ATOM 31 CD2 LEU A 367 -9.617 4.849 -0.591 1.00 15.00 C ATOM 0 HA LEU A 367 -10.993 1.785 0.088 1.00 15.00 H new ATOM 0 HB2 LEU A 367 -11.780 2.699 -2.194 1.00 15.00 H new ATOM 0 HB3 LEU A 367 -12.096 4.201 -1.348 1.00 15.00 H new ATOM 0 HG LEU A 367 -9.382 2.862 -1.330 1.00 15.00 H new ATOM 0 HD11 LEU A 367 -8.745 4.473 -3.108 1.00 15.00 H new ATOM 0 HD12 LEU A 367 -10.017 3.354 -3.655 1.00 15.00 H new ATOM 0 HD13 LEU A 367 -10.435 5.023 -3.199 1.00 15.00 H new ATOM 0 HD21 LEU A 367 -8.576 5.124 -0.761 1.00 15.00 H new ATOM 0 HD22 LEU A 367 -10.255 5.715 -0.767 1.00 15.00 H new ATOM 0 HD23 LEU A 367 -9.739 4.512 0.438 1.00 15.00 H new ATOM 43 N PRO A 368 -10.978 3.245 2.154 1.00 15.00 N ATOM 44 CA PRO A 368 -10.983 4.065 3.360 1.00 15.00 C ATOM 45 C PRO A 368 -10.092 5.300 3.226 1.00 15.00 C ATOM 46 O PRO A 368 -9.020 5.253 2.621 1.00 15.00 O ATOM 47 CB PRO A 368 -10.427 3.104 4.411 1.00 15.00 C ATOM 48 CG PRO A 368 -9.524 2.175 3.664 1.00 15.00 C ATOM 49 CD PRO A 368 -9.958 2.183 2.217 1.00 15.00 C ATOM 0 HA PRO A 368 -11.970 4.463 3.596 1.00 15.00 H new ATOM 0 HB2 PRO A 368 -9.882 3.643 5.186 1.00 15.00 H new ATOM 0 HB3 PRO A 368 -11.229 2.558 4.907 1.00 15.00 H new ATOM 0 HG2 PRO A 368 -8.486 2.495 3.754 1.00 15.00 H new ATOM 0 HG3 PRO A 368 -9.584 1.168 4.077 1.00 15.00 H new ATOM 0 HD2 PRO A 368 -9.121 2.394 1.551 1.00 15.00 H new ATOM 0 HD3 PRO A 368 -10.368 1.218 1.918 1.00 15.00 H new ATOM 57 N SER A 369 -10.536 6.396 3.827 1.00 15.00 N ATOM 58 CA SER A 369 -9.871 7.681 3.669 1.00 15.00 C ATOM 59 C SER A 369 -8.518 7.685 4.373 1.00 15.00 C ATOM 60 O SER A 369 -8.421 7.414 5.569 1.00 15.00 O ATOM 61 CB SER A 369 -10.760 8.788 4.232 1.00 15.00 C ATOM 62 OG SER A 369 -12.061 8.732 3.667 1.00 15.00 O ATOM 0 H SER A 369 -11.358 6.420 4.431 1.00 15.00 H new ATOM 0 HA SER A 369 -9.699 7.857 2.607 1.00 15.00 H new ATOM 0 HB2 SER A 369 -10.826 8.691 5.316 1.00 15.00 H new ATOM 0 HB3 SER A 369 -10.312 9.760 4.026 1.00 15.00 H new ATOM 0 HG SER A 369 -12.612 9.449 4.044 1.00 15.00 H new ATOM 68 N GLY A 370 -7.475 7.989 3.612 1.00 15.00 N ATOM 69 CA GLY A 370 -6.133 7.975 4.148 1.00 15.00 C ATOM 70 C GLY A 370 -5.299 6.885 3.514 1.00 15.00 C ATOM 71 O GLY A 370 -4.081 6.820 3.710 1.00 15.00 O ATOM 0 H GLY A 370 -7.538 8.246 2.627 1.00 15.00 H new ATOM 0 HA2 GLY A 370 -5.661 8.943 3.977 1.00 15.00 H new ATOM 0 HA3 GLY A 370 -6.172 7.825 5.227 1.00 15.00 H new ATOM 75 N TRP A 371 -5.966 6.027 2.755 1.00 15.00 N ATOM 76 CA TRP A 371 -5.313 4.933 2.053 1.00 15.00 C ATOM 77 C TRP A 371 -5.099 5.277 0.585 1.00 15.00 C ATOM 78 O TRP A 371 -6.010 5.751 -0.092 1.00 15.00 O ATOM 79 CB TRP A 371 -6.158 3.663 2.153 1.00 15.00 C ATOM 80 CG TRP A 371 -6.125 3.005 3.499 1.00 15.00 C ATOM 81 CD1 TRP A 371 -6.555 3.523 4.691 1.00 15.00 C ATOM 82 CD2 TRP A 371 -5.655 1.685 3.781 1.00 15.00 C ATOM 83 NE1 TRP A 371 -6.370 2.603 5.695 1.00 15.00 N ATOM 84 CE2 TRP A 371 -5.822 1.466 5.160 1.00 15.00 C ATOM 85 CE3 TRP A 371 -5.105 0.670 2.997 1.00 15.00 C ATOM 86 CZ2 TRP A 371 -5.462 0.268 5.771 1.00 15.00 C ATOM 87 CZ3 TRP A 371 -4.747 -0.518 3.603 1.00 15.00 C ATOM 88 CH2 TRP A 371 -4.928 -0.711 4.977 1.00 15.00 C ATOM 0 H TRP A 371 -6.975 6.070 2.609 1.00 15.00 H new ATOM 0 HA TRP A 371 -4.343 4.767 2.522 1.00 15.00 H new ATOM 0 HB2 TRP A 371 -7.191 3.908 1.906 1.00 15.00 H new ATOM 0 HB3 TRP A 371 -5.812 2.950 1.404 1.00 15.00 H new ATOM 0 HD1 TRP A 371 -6.977 4.508 4.823 1.00 15.00 H new ATOM 0 HE1 TRP A 371 -6.603 2.743 6.678 1.00 15.00 H new ATOM 0 HE3 TRP A 371 -4.962 0.811 1.936 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 -5.599 0.117 6.832 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 -4.320 -1.311 3.007 1.00 15.00 H new ATOM 0 HH2 TRP A 371 -4.640 -1.653 5.421 1.00 15.00 H new ATOM 99 N GLU A 372 -3.890 5.036 0.106 1.00 15.00 N ATOM 100 CA GLU A 372 -3.585 5.151 -1.307 1.00 15.00 C ATOM 101 C GLU A 372 -3.290 3.769 -1.875 1.00 15.00 C ATOM 102 O GLU A 372 -2.315 3.119 -1.492 1.00 15.00 O ATOM 103 CB GLU A 372 -2.408 6.100 -1.547 1.00 15.00 C ATOM 104 CG GLU A 372 -2.790 7.568 -1.582 1.00 15.00 C ATOM 105 CD GLU A 372 -1.589 8.465 -1.805 1.00 15.00 C ATOM 106 OE1 GLU A 372 -0.977 8.390 -2.888 1.00 15.00 O ATOM 107 OE2 GLU A 372 -1.253 9.249 -0.894 1.00 15.00 O1- ATOM 0 H GLU A 372 -3.097 4.757 0.684 1.00 15.00 H new ATOM 0 HA GLU A 372 -4.450 5.573 -1.818 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.667 5.948 -0.762 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.931 5.838 -2.491 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -3.518 7.734 -2.376 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -3.275 7.838 -0.644 1.00 15.00 H new ATOM 114 N GLU A 373 -4.151 3.315 -2.769 1.00 15.00 N ATOM 115 CA GLU A 373 -4.041 1.978 -3.331 1.00 15.00 C ATOM 116 C GLU A 373 -3.381 2.065 -4.686 1.00 15.00 C ATOM 117 O GLU A 373 -4.046 2.239 -5.708 1.00 15.00 O ATOM 118 CB GLU A 373 -5.421 1.361 -3.477 1.00 15.00 C ATOM 119 CG GLU A 373 -6.390 1.868 -2.433 1.00 15.00 C ATOM 120 CD GLU A 373 -7.784 1.319 -2.620 1.00 15.00 C ATOM 121 OE1 GLU A 373 -8.187 1.092 -3.783 1.00 15.00 O1- ATOM 122 OE2 GLU A 373 -8.476 1.086 -1.612 1.00 15.00 O ATOM 0 H GLU A 373 -4.939 3.856 -3.124 1.00 15.00 H new ATOM 0 HA GLU A 373 -3.443 1.354 -2.667 1.00 15.00 H new ATOM 0 HB2 GLU A 373 -5.812 1.582 -4.470 1.00 15.00 H new ATOM 0 HB3 GLU A 373 -5.342 0.277 -3.400 1.00 15.00 H new ATOM 0 HG2 GLU A 373 -6.026 1.596 -1.442 1.00 15.00 H new ATOM 0 HG3 GLU A 373 -6.424 2.957 -2.472 1.00 15.00 H new ATOM 129 N ARG A 374 -2.075 1.974 -4.698 1.00 15.00 N ATOM 130 CA ARG A 374 -1.333 2.344 -5.873 1.00 15.00 C ATOM 131 C ARG A 374 -0.484 1.197 -6.388 1.00 15.00 C ATOM 132 O ARG A 374 0.202 0.505 -5.630 1.00 15.00 O ATOM 133 CB ARG A 374 -0.512 3.589 -5.559 1.00 15.00 C ATOM 134 CG ARG A 374 -1.399 4.776 -5.195 1.00 15.00 C ATOM 135 CD ARG A 374 -0.582 5.987 -4.786 1.00 15.00 C ATOM 136 NE ARG A 374 0.298 6.436 -5.863 1.00 15.00 N ATOM 137 CZ ARG A 374 0.894 7.627 -5.899 1.00 15.00 C ATOM 138 NH1 ARG A 374 0.690 8.516 -4.933 1.00 15.00 N1+ ATOM 139 NH2 ARG A 374 1.687 7.933 -6.917 1.00 15.00 N ATOM 0 H ARG A 374 -1.509 1.650 -3.914 1.00 15.00 H new ATOM 0 HA ARG A 374 -2.024 2.577 -6.684 1.00 15.00 H new ATOM 0 HB2 ARG A 374 0.168 3.377 -4.734 1.00 15.00 H new ATOM 0 HB3 ARG A 374 0.103 3.846 -6.421 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -2.029 5.033 -6.047 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -2.065 4.495 -4.379 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -1.252 6.798 -4.502 1.00 15.00 H new ATOM 0 HD3 ARG A 374 0.014 5.743 -3.907 1.00 15.00 H new ATOM 0 HE ARG A 374 0.467 5.795 -6.638 1.00 15.00 H new ATOM 0 HH11 ARG A 374 0.072 8.290 -4.154 1.00 15.00 H new ATOM 0 HH12 ARG A 374 1.151 9.425 -4.971 1.00 15.00 H new ATOM 0 HH21 ARG A 374 1.838 7.258 -7.667 1.00 15.00 H new ATOM 0 HH22 ARG A 374 2.146 8.843 -6.950 1.00 15.00 H new ATOM 153 N LYS A 375 -0.557 1.006 -7.694 1.00 15.00 N ATOM 154 CA LYS A 375 0.080 -0.117 -8.354 1.00 15.00 C ATOM 155 C LYS A 375 1.230 0.382 -9.216 1.00 15.00 C ATOM 156 O LYS A 375 1.041 1.234 -10.085 1.00 15.00 O ATOM 157 CB LYS A 375 -0.936 -0.885 -9.218 1.00 15.00 C ATOM 158 CG LYS A 375 -2.154 -1.408 -8.455 1.00 15.00 C ATOM 159 CD LYS A 375 -3.171 -0.309 -8.162 1.00 15.00 C ATOM 160 CE LYS A 375 -4.365 -0.833 -7.377 1.00 15.00 C ATOM 161 NZ LYS A 375 -5.367 0.235 -7.103 1.00 15.00 N1+ ATOM 0 H LYS A 375 -1.061 1.627 -8.327 1.00 15.00 H new ATOM 0 HA LYS A 375 0.467 -0.797 -7.596 1.00 15.00 H new ATOM 0 HB2 LYS A 375 -1.279 -0.231 -10.020 1.00 15.00 H new ATOM 0 HB3 LYS A 375 -0.429 -1.727 -9.689 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -2.632 -2.197 -9.036 1.00 15.00 H new ATOM 0 HG3 LYS A 375 -1.827 -1.856 -7.517 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -2.689 0.490 -7.599 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -3.516 0.125 -9.100 1.00 15.00 H new ATOM 0 HE2 LYS A 375 -4.839 -1.640 -7.935 1.00 15.00 H new ATOM 0 HE3 LYS A 375 -4.021 -1.257 -6.434 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 -6.075 -0.118 -6.428 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 -4.888 1.065 -6.700 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -5.839 0.504 -7.990 1.00 15.00 H new ATOM 175 N ASP A 376 2.410 -0.157 -8.977 1.00 15.00 N ATOM 176 CA ASP A 376 3.613 0.279 -9.682 1.00 15.00 C ATOM 177 C ASP A 376 3.805 -0.545 -10.956 1.00 15.00 C ATOM 178 O ASP A 376 3.430 -1.716 -11.001 1.00 15.00 O ATOM 179 CB ASP A 376 4.835 0.141 -8.771 1.00 15.00 C ATOM 180 CG ASP A 376 5.965 1.070 -9.171 1.00 15.00 C ATOM 181 OD1 ASP A 376 6.258 1.188 -10.377 1.00 15.00 O ATOM 182 OD2 ASP A 376 6.583 1.674 -8.275 1.00 15.00 O1- ATOM 0 H ASP A 376 2.568 -0.901 -8.298 1.00 15.00 H new ATOM 0 HA ASP A 376 3.499 1.327 -9.959 1.00 15.00 H new ATOM 0 HB2 ASP A 376 4.543 0.351 -7.742 1.00 15.00 H new ATOM 0 HB3 ASP A 376 5.189 -0.889 -8.797 1.00 15.00 H new ATOM 187 N ALA A 377 4.421 0.069 -11.966 1.00 15.00 N ATOM 188 CA ALA A 377 4.531 -0.508 -13.311 1.00 15.00 C ATOM 189 C ALA A 377 5.311 -1.829 -13.341 1.00 15.00 C ATOM 190 O ALA A 377 5.138 -2.626 -14.263 1.00 15.00 O ATOM 191 CB ALA A 377 5.170 0.502 -14.255 1.00 15.00 C ATOM 0 H ALA A 377 4.861 0.985 -11.877 1.00 15.00 H new ATOM 0 HA ALA A 377 3.518 -0.740 -13.640 1.00 15.00 H new ATOM 0 HB1 ALA A 377 5.249 0.069 -15.252 1.00 15.00 H new ATOM 0 HB2 ALA A 377 4.554 1.400 -14.298 1.00 15.00 H new ATOM 0 HB3 ALA A 377 6.165 0.761 -13.892 1.00 15.00 H new ATOM 197 N LYS A 378 6.167 -2.068 -12.344 1.00 15.00 N ATOM 198 CA LYS A 378 6.876 -3.354 -12.244 1.00 15.00 C ATOM 199 C LYS A 378 5.891 -4.453 -11.881 1.00 15.00 C ATOM 200 O LYS A 378 6.190 -5.644 -11.968 1.00 15.00 O ATOM 201 CB LYS A 378 7.986 -3.349 -11.186 1.00 15.00 C ATOM 202 CG LYS A 378 8.836 -2.098 -11.144 1.00 15.00 C ATOM 203 CD LYS A 378 8.272 -1.107 -10.150 1.00 15.00 C ATOM 204 CE LYS A 378 9.362 -0.181 -9.623 1.00 15.00 C ATOM 205 NZ LYS A 378 8.961 0.519 -8.375 1.00 15.00 N1+ ATOM 0 H LYS A 378 6.386 -1.402 -11.603 1.00 15.00 H new ATOM 0 HA LYS A 378 7.335 -3.528 -13.217 1.00 15.00 H new ATOM 0 HB2 LYS A 378 7.531 -3.492 -10.206 1.00 15.00 H new ATOM 0 HB3 LYS A 378 8.637 -4.205 -11.363 1.00 15.00 H new ATOM 0 HG2 LYS A 378 9.859 -2.355 -10.869 1.00 15.00 H new ATOM 0 HG3 LYS A 378 8.876 -1.645 -12.135 1.00 15.00 H new ATOM 0 HD2 LYS A 378 7.487 -0.518 -10.624 1.00 15.00 H new ATOM 0 HD3 LYS A 378 7.811 -1.642 -9.319 1.00 15.00 H new ATOM 0 HE2 LYS A 378 10.267 -0.760 -9.436 1.00 15.00 H new ATOM 0 HE3 LYS A 378 9.608 0.557 -10.387 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 9.800 0.944 -7.931 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 8.273 1.266 -8.601 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 8.529 -0.162 -7.718 1.00 15.00 H new ATOM 219 N GLY A 379 4.725 -4.025 -11.447 1.00 15.00 N ATOM 220 CA GLY A 379 3.747 -4.914 -10.888 1.00 15.00 C ATOM 221 C GLY A 379 3.916 -5.049 -9.400 1.00 15.00 C ATOM 222 O GLY A 379 4.141 -6.137 -8.874 1.00 15.00 O ATOM 0 H GLY A 379 4.434 -3.048 -11.475 1.00 15.00 H new ATOM 0 HA2 GLY A 379 2.746 -4.543 -11.110 1.00 15.00 H new ATOM 0 HA3 GLY A 379 3.834 -5.894 -11.356 1.00 15.00 H new ATOM 226 N ARG A 380 3.823 -3.913 -8.723 1.00 15.00 N ATOM 227 CA ARG A 380 3.880 -3.865 -7.273 1.00 15.00 C ATOM 228 C ARG A 380 2.572 -3.284 -6.753 1.00 15.00 C ATOM 229 O ARG A 380 2.329 -2.083 -6.878 1.00 15.00 O ATOM 230 CB ARG A 380 5.058 -3.002 -6.804 1.00 15.00 C ATOM 231 CG ARG A 380 6.376 -3.332 -7.489 1.00 15.00 C ATOM 232 CD ARG A 380 6.871 -4.725 -7.138 1.00 15.00 C ATOM 233 NE ARG A 380 7.361 -4.814 -5.762 1.00 15.00 N ATOM 234 CZ ARG A 380 7.465 -5.961 -5.088 1.00 15.00 C ATOM 235 NH1 ARG A 380 7.029 -7.093 -5.634 1.00 15.00 N1+ ATOM 236 NH2 ARG A 380 7.999 -5.977 -3.873 1.00 15.00 N ATOM 0 H ARG A 380 3.706 -3.001 -9.165 1.00 15.00 H new ATOM 0 HA ARG A 380 4.024 -4.873 -6.884 1.00 15.00 H new ATOM 0 HB2 ARG A 380 4.820 -1.953 -6.981 1.00 15.00 H new ATOM 0 HB3 ARG A 380 5.179 -3.124 -5.728 1.00 15.00 H new ATOM 0 HG2 ARG A 380 6.252 -3.254 -8.569 1.00 15.00 H new ATOM 0 HG3 ARG A 380 7.128 -2.597 -7.200 1.00 15.00 H new ATOM 0 HD2 ARG A 380 6.062 -5.441 -7.279 1.00 15.00 H new ATOM 0 HD3 ARG A 380 7.670 -5.007 -7.824 1.00 15.00 H new ATOM 0 HE ARG A 380 7.638 -3.952 -5.292 1.00 15.00 H new ATOM 0 HH11 ARG A 380 6.616 -7.083 -6.567 1.00 15.00 H new ATOM 0 HH12 ARG A 380 7.108 -7.971 -5.120 1.00 15.00 H new ATOM 0 HH21 ARG A 380 8.332 -5.110 -3.451 1.00 15.00 H new ATOM 0 HH22 ARG A 380 8.076 -6.856 -3.361 1.00 15.00 H new ATOM 250 N THR A 381 1.711 -4.140 -6.230 1.00 15.00 N ATOM 251 CA THR A 381 0.404 -3.711 -5.756 1.00 15.00 C ATOM 252 C THR A 381 0.403 -3.536 -4.242 1.00 15.00 C ATOM 253 O THR A 381 0.153 -4.484 -3.501 1.00 15.00 O ATOM 254 CB THR A 381 -0.685 -4.729 -6.156 1.00 15.00 C ATOM 255 OG1 THR A 381 -0.288 -6.048 -5.760 1.00 15.00 O ATOM 256 CG2 THR A 381 -0.925 -4.701 -7.657 1.00 15.00 C ATOM 0 H THR A 381 1.893 -5.138 -6.122 1.00 15.00 H new ATOM 0 HA THR A 381 0.184 -2.751 -6.223 1.00 15.00 H new ATOM 0 HB THR A 381 -1.611 -4.457 -5.649 1.00 15.00 H new ATOM 0 HG1 THR A 381 0.021 -6.031 -4.830 1.00 15.00 H new ATOM 0 HG21 THR A 381 -1.696 -5.426 -7.916 1.00 15.00 H new ATOM 0 HG22 THR A 381 -1.250 -3.704 -7.955 1.00 15.00 H new ATOM 0 HG23 THR A 381 -0.001 -4.952 -8.178 1.00 15.00 H new ATOM 264 N TYR A 382 0.696 -2.331 -3.782 1.00 15.00 N ATOM 265 CA TYR A 382 0.788 -2.083 -2.355 1.00 15.00 C ATOM 266 C TYR A 382 -0.271 -1.091 -1.890 1.00 15.00 C ATOM 267 O TYR A 382 -0.408 0.005 -2.438 1.00 15.00 O ATOM 268 CB TYR A 382 2.198 -1.605 -1.974 1.00 15.00 C ATOM 269 CG TYR A 382 2.800 -0.563 -2.901 1.00 15.00 C ATOM 270 CD1 TYR A 382 2.481 0.784 -2.777 1.00 15.00 C ATOM 271 CD2 TYR A 382 3.704 -0.932 -3.890 1.00 15.00 C ATOM 272 CE1 TYR A 382 3.042 1.730 -3.612 1.00 15.00 C ATOM 273 CE2 TYR A 382 4.272 0.011 -4.727 1.00 15.00 C ATOM 274 CZ TYR A 382 3.938 1.339 -4.584 1.00 15.00 C ATOM 275 OH TYR A 382 4.504 2.280 -5.413 1.00 15.00 O ATOM 0 H TYR A 382 0.873 -1.517 -4.370 1.00 15.00 H new ATOM 0 HA TYR A 382 0.598 -3.026 -1.842 1.00 15.00 H new ATOM 0 HB2 TYR A 382 2.165 -1.194 -0.965 1.00 15.00 H new ATOM 0 HB3 TYR A 382 2.862 -2.469 -1.945 1.00 15.00 H new ATOM 0 HD1 TYR A 382 1.783 1.096 -2.015 1.00 15.00 H new ATOM 0 HD2 TYR A 382 3.967 -1.973 -4.007 1.00 15.00 H new ATOM 0 HE1 TYR A 382 2.780 2.772 -3.504 1.00 15.00 H new ATOM 0 HE2 TYR A 382 4.974 -0.293 -5.489 1.00 15.00 H new ATOM 0 HH TYR A 382 5.114 1.839 -6.041 1.00 15.00 H new ATOM 285 N TYR A 383 -1.028 -1.497 -0.884 1.00 15.00 N ATOM 286 CA TYR A 383 -2.011 -0.624 -0.267 1.00 15.00 C ATOM 287 C TYR A 383 -1.363 0.095 0.903 1.00 15.00 C ATOM 288 O TYR A 383 -1.095 -0.509 1.942 1.00 15.00 O ATOM 289 CB TYR A 383 -3.229 -1.424 0.205 1.00 15.00 C ATOM 290 CG TYR A 383 -3.886 -2.232 -0.891 1.00 15.00 C ATOM 291 CD1 TYR A 383 -3.315 -3.417 -1.337 1.00 15.00 C ATOM 292 CD2 TYR A 383 -5.070 -1.812 -1.484 1.00 15.00 C ATOM 293 CE1 TYR A 383 -3.899 -4.159 -2.338 1.00 15.00 C ATOM 294 CE2 TYR A 383 -5.664 -2.553 -2.489 1.00 15.00 C ATOM 295 CZ TYR A 383 -5.069 -3.726 -2.910 1.00 15.00 C ATOM 296 OH TYR A 383 -5.647 -4.468 -3.913 1.00 15.00 O ATOM 0 H TYR A 383 -0.979 -2.431 -0.476 1.00 15.00 H new ATOM 0 HA TYR A 383 -2.357 0.105 -1.000 1.00 15.00 H new ATOM 0 HB2 TYR A 383 -2.923 -2.096 1.006 1.00 15.00 H new ATOM 0 HB3 TYR A 383 -3.962 -0.737 0.628 1.00 15.00 H new ATOM 0 HD1 TYR A 383 -2.395 -3.763 -0.890 1.00 15.00 H new ATOM 0 HD2 TYR A 383 -5.533 -0.893 -1.155 1.00 15.00 H new ATOM 0 HE1 TYR A 383 -3.439 -5.077 -2.672 1.00 15.00 H new ATOM 0 HE2 TYR A 383 -6.586 -2.217 -2.941 1.00 15.00 H new ATOM 0 HH TYR A 383 -5.432 -5.415 -3.785 1.00 15.00 H new ATOM 306 N VAL A 384 -1.074 1.370 0.716 1.00 15.00 N ATOM 307 CA VAL A 384 -0.320 2.129 1.697 1.00 15.00 C ATOM 308 C VAL A 384 -1.175 3.212 2.339 1.00 15.00 C ATOM 309 O VAL A 384 -1.796 4.017 1.646 1.00 15.00 O ATOM 310 CB VAL A 384 0.936 2.762 1.057 1.00 15.00 C ATOM 311 CG1 VAL A 384 1.962 1.696 0.721 1.00 15.00 C ATOM 312 CG2 VAL A 384 0.587 3.546 -0.192 1.00 15.00 C ATOM 0 H VAL A 384 -1.351 1.903 -0.109 1.00 15.00 H new ATOM 0 HA VAL A 384 -0.007 1.432 2.475 1.00 15.00 H new ATOM 0 HB VAL A 384 1.361 3.450 1.788 1.00 15.00 H new ATOM 0 HG11 VAL A 384 2.838 2.163 0.271 1.00 15.00 H new ATOM 0 HG12 VAL A 384 2.256 1.174 1.632 1.00 15.00 H new ATOM 0 HG13 VAL A 384 1.530 0.984 0.018 1.00 15.00 H new ATOM 0 HG21 VAL A 384 1.494 3.977 -0.616 1.00 15.00 H new ATOM 0 HG22 VAL A 384 0.126 2.881 -0.922 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -0.110 4.344 0.062 1.00 15.00 H new ATOM 322 N ASN A 385 -1.221 3.234 3.662 1.00 15.00 N ATOM 323 CA ASN A 385 -2.007 4.243 4.354 1.00 15.00 C ATOM 324 C ASN A 385 -1.106 5.232 5.072 1.00 15.00 C ATOM 325 O ASN A 385 -0.038 4.870 5.577 1.00 15.00 O ATOM 326 CB ASN A 385 -3.038 3.594 5.308 1.00 15.00 C ATOM 327 CG ASN A 385 -2.534 3.231 6.706 1.00 15.00 C ATOM 328 OD1 ASN A 385 -1.776 3.960 7.341 1.00 15.00 O ATOM 329 ND2 ASN A 385 -2.981 2.095 7.207 1.00 15.00 N ATOM 0 H ASN A 385 -0.732 2.577 4.270 1.00 15.00 H new ATOM 0 HA ASN A 385 -2.574 4.803 3.610 1.00 15.00 H new ATOM 0 HB2 ASN A 385 -3.882 4.276 5.415 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -3.418 2.688 4.836 1.00 15.00 H new ATOM 0 HD21 ASN A 385 -2.698 1.804 8.143 1.00 15.00 H new ATOM 0 HD22 ASN A 385 -3.610 1.508 6.659 1.00 15.00 H new ATOM 336 N HIS A 386 -1.552 6.479 5.111 1.00 15.00 N ATOM 337 CA HIS A 386 -0.825 7.545 5.796 1.00 15.00 C ATOM 338 C HIS A 386 -1.199 7.579 7.274 1.00 15.00 C ATOM 339 O HIS A 386 -0.532 8.226 8.076 1.00 15.00 O ATOM 340 CB HIS A 386 -1.108 8.913 5.165 1.00 15.00 C ATOM 341 CG HIS A 386 -0.662 9.051 3.738 1.00 15.00 C ATOM 342 ND1 HIS A 386 0.579 9.532 3.376 1.00 15.00 N ATOM 343 CD2 HIS A 386 -1.315 8.797 2.580 1.00 15.00 C ATOM 344 CE1 HIS A 386 0.665 9.574 2.059 1.00 15.00 C ATOM 345 NE2 HIS A 386 -0.469 9.131 1.555 1.00 15.00 N ATOM 0 H HIS A 386 -2.422 6.782 4.673 1.00 15.00 H new ATOM 0 HA HIS A 386 0.239 7.333 5.694 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -2.179 9.107 5.217 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -0.616 9.681 5.761 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -2.316 8.404 2.482 1.00 15.00 H new ATOM 0 HE1 HIS A 386 1.519 9.914 1.492 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.683 9.050 0.561 1.00 15.00 H new ATOM 354 N ASN A 387 -2.295 6.899 7.608 1.00 15.00 N ATOM 355 CA ASN A 387 -2.848 6.917 8.960 1.00 15.00 C ATOM 356 C ASN A 387 -1.837 6.395 9.979 1.00 15.00 C ATOM 357 O ASN A 387 -1.376 7.136 10.847 1.00 15.00 O ATOM 358 CB ASN A 387 -4.137 6.083 9.004 1.00 15.00 C ATOM 359 CG ASN A 387 -4.778 6.046 10.381 1.00 15.00 C ATOM 360 OD1 ASN A 387 -4.655 6.985 11.169 1.00 15.00 O ATOM 361 ND2 ASN A 387 -5.485 4.964 10.669 1.00 15.00 N ATOM 0 H ASN A 387 -2.822 6.323 6.952 1.00 15.00 H new ATOM 0 HA ASN A 387 -3.079 7.949 9.224 1.00 15.00 H new ATOM 0 HB2 ASN A 387 -4.851 6.491 8.289 1.00 15.00 H new ATOM 0 HB3 ASN A 387 -3.914 5.064 8.686 1.00 15.00 H new ATOM 0 HD21 ASN A 387 -5.953 4.886 11.572 1.00 15.00 H new ATOM 0 HD22 ASN A 387 -5.562 4.209 9.988 1.00 15.00 H new ATOM 368 N ASN A 388 -1.476 5.127 9.864 1.00 15.00 N ATOM 369 CA ASN A 388 -0.491 4.538 10.760 1.00 15.00 C ATOM 370 C ASN A 388 0.853 4.403 10.055 1.00 15.00 C ATOM 371 O ASN A 388 1.874 4.146 10.698 1.00 15.00 O ATOM 372 CB ASN A 388 -0.961 3.193 11.342 1.00 15.00 C ATOM 373 CG ASN A 388 -1.300 2.141 10.301 1.00 15.00 C ATOM 374 OD1 ASN A 388 -0.752 2.122 9.207 1.00 15.00 O ATOM 375 ND2 ASN A 388 -2.215 1.249 10.646 1.00 15.00 N ATOM 0 H ASN A 388 -1.848 4.487 9.162 1.00 15.00 H new ATOM 0 HA ASN A 388 -0.370 5.213 11.607 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -0.181 2.802 11.995 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -1.839 3.367 11.963 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -2.484 0.515 9.991 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -2.651 1.296 11.567 1.00 15.00 H new ATOM 382 N ARG A 389 0.821 4.542 8.725 1.00 15.00 N ATOM 383 CA ARG A 389 2.007 4.434 7.878 1.00 15.00 C ATOM 384 C ARG A 389 2.393 2.974 7.726 1.00 15.00 C ATOM 385 O ARG A 389 3.369 2.498 8.307 1.00 15.00 O ATOM 386 CB ARG A 389 3.175 5.282 8.404 1.00 15.00 C ATOM 387 CG ARG A 389 2.812 6.749 8.574 1.00 15.00 C ATOM 388 CD ARG A 389 3.947 7.549 9.190 1.00 15.00 C ATOM 389 NE ARG A 389 3.515 8.895 9.577 1.00 15.00 N ATOM 390 CZ ARG A 389 4.347 9.876 9.925 1.00 15.00 C ATOM 391 NH1 ARG A 389 5.659 9.677 9.927 1.00 15.00 N1+ ATOM 392 NH2 ARG A 389 3.863 11.059 10.280 1.00 15.00 N ATOM 0 H ARG A 389 -0.036 4.734 8.206 1.00 15.00 H new ATOM 0 HA ARG A 389 1.764 4.836 6.894 1.00 15.00 H new ATOM 0 HB2 ARG A 389 3.506 4.881 9.362 1.00 15.00 H new ATOM 0 HB3 ARG A 389 4.017 5.199 7.716 1.00 15.00 H new ATOM 0 HG2 ARG A 389 2.554 7.173 7.604 1.00 15.00 H new ATOM 0 HG3 ARG A 389 1.926 6.833 9.204 1.00 15.00 H new ATOM 0 HD2 ARG A 389 4.329 7.024 10.065 1.00 15.00 H new ATOM 0 HD3 ARG A 389 4.769 7.622 8.478 1.00 15.00 H new ATOM 0 HE ARG A 389 2.514 9.093 9.580 1.00 15.00 H new ATOM 0 HH11 ARG A 389 6.037 8.768 9.661 1.00 15.00 H new ATOM 0 HH12 ARG A 389 6.289 10.433 10.195 1.00 15.00 H new ATOM 0 HH21 ARG A 389 2.855 11.217 10.286 1.00 15.00 H new ATOM 0 HH22 ARG A 389 4.499 11.811 10.547 1.00 15.00 H new ATOM 406 N THR A 390 1.560 2.257 6.990 1.00 15.00 N ATOM 407 CA THR A 390 1.708 0.824 6.824 1.00 15.00 C ATOM 408 C THR A 390 1.234 0.401 5.435 1.00 15.00 C ATOM 409 O THR A 390 0.372 1.057 4.838 1.00 15.00 O ATOM 410 CB THR A 390 0.944 0.055 7.936 1.00 15.00 C ATOM 411 OG1 THR A 390 1.862 -0.728 8.708 1.00 15.00 O ATOM 412 CG2 THR A 390 -0.151 -0.850 7.378 1.00 15.00 C ATOM 0 H THR A 390 0.763 2.653 6.492 1.00 15.00 H new ATOM 0 HA THR A 390 2.764 0.572 6.916 1.00 15.00 H new ATOM 0 HB THR A 390 0.462 0.803 8.566 1.00 15.00 H new ATOM 0 HG1 THR A 390 1.373 -1.209 9.408 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.652 -1.363 8.199 1.00 15.00 H new ATOM 0 HG22 THR A 390 -0.876 -0.248 6.829 1.00 15.00 H new ATOM 0 HG23 THR A 390 0.292 -1.586 6.707 1.00 15.00 H new ATOM 420 N THR A 391 1.832 -0.662 4.913 1.00 15.00 N ATOM 421 CA THR A 391 1.499 -1.159 3.590 1.00 15.00 C ATOM 422 C THR A 391 1.178 -2.654 3.637 1.00 15.00 C ATOM 423 O THR A 391 1.716 -3.388 4.469 1.00 15.00 O ATOM 424 CB THR A 391 2.656 -0.891 2.604 1.00 15.00 C ATOM 425 OG1 THR A 391 2.380 -1.477 1.324 1.00 15.00 O ATOM 426 CG2 THR A 391 3.971 -1.426 3.142 1.00 15.00 C ATOM 0 H THR A 391 2.555 -1.198 5.392 1.00 15.00 H new ATOM 0 HA THR A 391 0.613 -0.628 3.241 1.00 15.00 H new ATOM 0 HB THR A 391 2.744 0.189 2.487 1.00 15.00 H new ATOM 0 HG1 THR A 391 1.434 -1.350 1.103 1.00 15.00 H new ATOM 0 HG21 THR A 391 4.767 -1.222 2.426 1.00 15.00 H new ATOM 0 HG22 THR A 391 4.202 -0.939 4.089 1.00 15.00 H new ATOM 0 HG23 THR A 391 3.890 -2.502 3.298 1.00 15.00 H new ATOM 434 N THR A 392 0.287 -3.091 2.758 1.00 15.00 N ATOM 435 CA THR A 392 -0.138 -4.482 2.715 1.00 15.00 C ATOM 436 C THR A 392 -0.526 -4.887 1.291 1.00 15.00 C ATOM 437 O THR A 392 -0.940 -4.043 0.493 1.00 15.00 O ATOM 438 CB THR A 392 -1.322 -4.737 3.678 1.00 15.00 C ATOM 439 OG1 THR A 392 -1.739 -6.107 3.606 1.00 15.00 O ATOM 440 CG2 THR A 392 -2.505 -3.824 3.367 1.00 15.00 C ATOM 0 H THR A 392 -0.158 -2.496 2.060 1.00 15.00 H new ATOM 0 HA THR A 392 0.705 -5.093 3.038 1.00 15.00 H new ATOM 0 HB THR A 392 -0.976 -4.515 4.687 1.00 15.00 H new ATOM 0 HG1 THR A 392 -2.487 -6.254 4.221 1.00 15.00 H new ATOM 0 HG21 THR A 392 -3.318 -4.031 4.063 1.00 15.00 H new ATOM 0 HG22 THR A 392 -2.198 -2.783 3.468 1.00 15.00 H new ATOM 0 HG23 THR A 392 -2.846 -4.005 2.348 1.00 15.00 H new ATOM 448 N TRP A 393 -0.343 -6.167 0.962 1.00 15.00 N ATOM 449 CA TRP A 393 -0.761 -6.689 -0.339 1.00 15.00 C ATOM 450 C TRP A 393 -2.248 -7.025 -0.308 1.00 15.00 C ATOM 451 O TRP A 393 -2.876 -7.237 -1.348 1.00 15.00 O ATOM 452 CB TRP A 393 0.008 -7.963 -0.719 1.00 15.00 C ATOM 453 CG TRP A 393 1.497 -7.873 -0.580 1.00 15.00 C ATOM 454 CD1 TRP A 393 2.256 -8.457 0.392 1.00 15.00 C ATOM 455 CD2 TRP A 393 2.410 -7.178 -1.440 1.00 15.00 C ATOM 456 NE1 TRP A 393 3.579 -8.171 0.188 1.00 15.00 N ATOM 457 CE2 TRP A 393 3.700 -7.383 -0.923 1.00 15.00 C ATOM 458 CE3 TRP A 393 2.266 -6.398 -2.592 1.00 15.00 C ATOM 459 CZ2 TRP A 393 4.836 -6.842 -1.514 1.00 15.00 C ATOM 460 CZ3 TRP A 393 3.397 -5.860 -3.179 1.00 15.00 C ATOM 461 CH2 TRP A 393 4.669 -6.084 -2.638 1.00 15.00 C ATOM 0 H TRP A 393 0.090 -6.858 1.575 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.550 -5.916 -1.078 1.00 15.00 H new ATOM 0 HB2 TRP A 393 -0.350 -8.784 -0.098 1.00 15.00 H new ATOM 0 HB3 TRP A 393 -0.230 -8.218 -1.752 1.00 15.00 H new ATOM 0 HD1 TRP A 393 1.870 -9.057 1.203 1.00 15.00 H new ATOM 0 HE1 TRP A 393 4.351 -8.494 0.771 1.00 15.00 H new ATOM 0 HE3 TRP A 393 1.289 -6.219 -3.016 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 5.818 -7.015 -1.098 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 3.297 -5.257 -4.069 1.00 15.00 H new ATOM 0 HH2 TRP A 393 5.533 -5.650 -3.118 1.00 15.00 H new ATOM 472 N THR A 394 -2.795 -7.102 0.898 1.00 15.00 N ATOM 473 CA THR A 394 -4.167 -7.530 1.096 1.00 15.00 C ATOM 474 C THR A 394 -5.150 -6.450 0.651 1.00 15.00 C ATOM 475 O THR A 394 -4.982 -5.276 0.975 1.00 15.00 O ATOM 476 CB THR A 394 -4.418 -7.871 2.578 1.00 15.00 C ATOM 477 OG1 THR A 394 -3.363 -8.712 3.071 1.00 15.00 O ATOM 478 CG2 THR A 394 -5.755 -8.575 2.761 1.00 15.00 C ATOM 0 H THR A 394 -2.301 -6.870 1.760 1.00 15.00 H new ATOM 0 HA THR A 394 -4.325 -8.421 0.488 1.00 15.00 H new ATOM 0 HB THR A 394 -4.439 -6.938 3.140 1.00 15.00 H new ATOM 0 HG1 THR A 394 -2.614 -8.156 3.370 1.00 15.00 H new ATOM 0 HG21 THR A 394 -5.905 -8.803 3.816 1.00 15.00 H new ATOM 0 HG22 THR A 394 -6.559 -7.926 2.412 1.00 15.00 H new ATOM 0 HG23 THR A 394 -5.761 -9.501 2.185 1.00 15.00 H new ATOM 486 N ARG A 395 -6.161 -6.856 -0.107 1.00 15.00 N ATOM 487 CA ARG A 395 -7.210 -5.945 -0.536 1.00 15.00 C ATOM 488 C ARG A 395 -8.251 -5.777 0.566 1.00 15.00 C ATOM 489 O ARG A 395 -8.949 -6.730 0.916 1.00 15.00 O ATOM 490 CB ARG A 395 -7.885 -6.466 -1.813 1.00 15.00 C ATOM 491 CG ARG A 395 -9.085 -5.639 -2.257 1.00 15.00 C ATOM 492 CD ARG A 395 -8.676 -4.230 -2.647 1.00 15.00 C ATOM 493 NE ARG A 395 -9.482 -3.215 -1.976 1.00 15.00 N ATOM 494 CZ ARG A 395 -9.421 -1.918 -2.265 1.00 15.00 C ATOM 495 NH1 ARG A 395 -8.727 -1.500 -3.316 1.00 15.00 N1+ ATOM 496 NH2 ARG A 395 -10.088 -1.041 -1.529 1.00 15.00 N ATOM 0 H ARG A 395 -6.275 -7.814 -0.437 1.00 15.00 H new ATOM 0 HA ARG A 395 -6.756 -4.976 -0.746 1.00 15.00 H new ATOM 0 HB2 ARG A 395 -7.151 -6.485 -2.619 1.00 15.00 H new ATOM 0 HB3 ARG A 395 -8.205 -7.495 -1.649 1.00 15.00 H new ATOM 0 HG2 ARG A 395 -9.570 -6.125 -3.103 1.00 15.00 H new ATOM 0 HG3 ARG A 395 -9.817 -5.596 -1.451 1.00 15.00 H new ATOM 0 HD2 ARG A 395 -7.625 -4.078 -2.401 1.00 15.00 H new ATOM 0 HD3 ARG A 395 -8.771 -4.112 -3.726 1.00 15.00 H new ATOM 0 HE ARG A 395 -10.127 -3.517 -1.246 1.00 15.00 H new ATOM 0 HH11 ARG A 395 -8.238 -2.174 -3.905 1.00 15.00 H new ATOM 0 HH12 ARG A 395 -8.682 -0.505 -3.535 1.00 15.00 H new ATOM 0 HH21 ARG A 395 -10.649 -1.360 -0.739 1.00 15.00 H new ATOM 0 HH22 ARG A 395 -10.040 -0.047 -1.752 1.00 15.00 H new ATOM 510 N PRO A 396 -8.349 -4.573 1.147 1.00 15.00 N ATOM 511 CA PRO A 396 -9.391 -4.266 2.116 1.00 15.00 C ATOM 512 C PRO A 396 -10.757 -4.193 1.438 1.00 15.00 C ATOM 513 O PRO A 396 -10.938 -3.465 0.459 1.00 15.00 O ATOM 514 CB PRO A 396 -8.986 -2.909 2.701 1.00 15.00 C ATOM 515 CG PRO A 396 -7.984 -2.322 1.759 1.00 15.00 C ATOM 516 CD PRO A 396 -7.444 -3.438 0.904 1.00 15.00 C ATOM 0 HA PRO A 396 -9.481 -5.031 2.887 1.00 15.00 H new ATOM 0 HB2 PRO A 396 -9.853 -2.256 2.802 1.00 15.00 H new ATOM 0 HB3 PRO A 396 -8.559 -3.028 3.697 1.00 15.00 H new ATOM 0 HG2 PRO A 396 -8.447 -1.555 1.138 1.00 15.00 H new ATOM 0 HG3 PRO A 396 -7.177 -1.840 2.311 1.00 15.00 H new ATOM 0 HD2 PRO A 396 -7.434 -3.159 -0.150 1.00 15.00 H new ATOM 0 HD3 PRO A 396 -6.418 -3.685 1.178 1.00 15.00 H new ATOM 588 N GLU B 205 4.134 -12.517 -2.082 1.00 15.00 N ATOM 589 CA GLU B 205 5.204 -11.536 -2.076 1.00 15.00 C ATOM 590 C GLU B 205 5.618 -11.193 -0.654 1.00 15.00 C ATOM 591 O GLU B 205 4.773 -11.066 0.237 1.00 15.00 O ATOM 592 CB GLU B 205 4.756 -10.265 -2.799 1.00 15.00 C ATOM 593 CG GLU B 205 4.738 -10.388 -4.311 1.00 15.00 C ATOM 594 CD GLU B 205 6.122 -10.615 -4.885 1.00 15.00 C ATOM 595 OE1 GLU B 205 6.963 -9.695 -4.801 1.00 15.00 O1- ATOM 596 OE2 GLU B 205 6.380 -11.714 -5.413 1.00 15.00 O ATOM 0 HA GLU B 205 6.061 -11.967 -2.594 1.00 15.00 H new ATOM 0 HB2 GLU B 205 3.757 -9.997 -2.455 1.00 15.00 H new ATOM 0 HB3 GLU B 205 5.420 -9.447 -2.519 1.00 15.00 H new ATOM 0 HG2 GLU B 205 4.088 -11.214 -4.599 1.00 15.00 H new ATOM 0 HG3 GLU B 205 4.312 -9.482 -4.742 1.00 15.00 H new ATOM 603 N SER B 206 6.919 -11.034 -0.458 1.00 15.00 N ATOM 604 CA SER B 206 7.462 -10.587 0.814 1.00 15.00 C ATOM 605 C SER B 206 6.923 -9.194 1.140 1.00 15.00 C ATOM 606 O SER B 206 6.591 -8.443 0.229 1.00 15.00 O ATOM 607 CB SER B 206 8.987 -10.567 0.728 1.00 15.00 C ATOM 608 OG SER B 206 9.490 -11.833 0.327 1.00 15.00 O ATOM 0 H SER B 206 7.624 -11.211 -1.174 1.00 15.00 H new ATOM 0 HA SER B 206 7.161 -11.269 1.609 1.00 15.00 H new ATOM 0 HB2 SER B 206 9.305 -9.804 0.018 1.00 15.00 H new ATOM 0 HB3 SER B 206 9.406 -10.295 1.697 1.00 15.00 H new ATOM 0 HG SER B 206 10.468 -11.796 0.277 1.00 15.00 H new ATOM 614 N PRO B 207 6.849 -8.828 2.432 1.00 15.00 N ATOM 615 CA PRO B 207 6.266 -7.548 2.870 1.00 15.00 C ATOM 616 C PRO B 207 6.808 -6.353 2.083 1.00 15.00 C ATOM 617 O PRO B 207 8.021 -6.235 1.899 1.00 15.00 O ATOM 618 CB PRO B 207 6.692 -7.460 4.332 1.00 15.00 C ATOM 619 CG PRO B 207 6.809 -8.877 4.762 1.00 15.00 C ATOM 620 CD PRO B 207 7.326 -9.629 3.570 1.00 15.00 C ATOM 0 HA PRO B 207 5.187 -7.516 2.716 1.00 15.00 H new ATOM 0 HB2 PRO B 207 7.639 -6.931 4.440 1.00 15.00 H new ATOM 0 HB3 PRO B 207 5.956 -6.922 4.930 1.00 15.00 H new ATOM 0 HG2 PRO B 207 7.488 -8.973 5.609 1.00 15.00 H new ATOM 0 HG3 PRO B 207 5.843 -9.269 5.082 1.00 15.00 H new ATOM 0 HD2 PRO B 207 8.413 -9.703 3.582 1.00 15.00 H new ATOM 0 HD3 PRO B 207 6.937 -10.647 3.537 1.00 15.00 H new ATOM 628 N PRO B 208 5.910 -5.457 1.610 1.00 15.00 N ATOM 629 CA PRO B 208 6.283 -4.320 0.752 1.00 15.00 C ATOM 630 C PRO B 208 7.416 -3.467 1.311 1.00 15.00 C ATOM 631 O PRO B 208 7.647 -3.425 2.522 1.00 15.00 O ATOM 632 CB PRO B 208 5.005 -3.489 0.693 1.00 15.00 C ATOM 633 CG PRO B 208 3.919 -4.471 0.887 1.00 15.00 C ATOM 634 CD PRO B 208 4.452 -5.477 1.865 1.00 15.00 C ATOM 0 HA PRO B 208 6.651 -4.671 -0.212 1.00 15.00 H new ATOM 0 HB2 PRO B 208 4.992 -2.724 1.469 1.00 15.00 H new ATOM 0 HB3 PRO B 208 4.909 -2.974 -0.263 1.00 15.00 H new ATOM 0 HG2 PRO B 208 3.020 -3.990 1.271 1.00 15.00 H new ATOM 0 HG3 PRO B 208 3.648 -4.947 -0.056 1.00 15.00 H new ATOM 0 HD2 PRO B 208 4.219 -5.201 2.894 1.00 15.00 H new ATOM 0 HD3 PRO B 208 4.027 -6.467 1.697 1.00 15.00 H new ATOM 642 N PRO B 209 8.102 -2.746 0.412 1.00 15.00 N ATOM 643 CA PRO B 209 9.194 -1.835 0.768 1.00 15.00 C ATOM 644 C PRO B 209 8.765 -0.829 1.834 1.00 15.00 C ATOM 645 O PRO B 209 7.634 -0.339 1.810 1.00 15.00 O ATOM 646 CB PRO B 209 9.501 -1.128 -0.556 1.00 15.00 C ATOM 647 CG PRO B 209 9.065 -2.093 -1.600 1.00 15.00 C ATOM 648 CD PRO B 209 7.850 -2.758 -1.041 1.00 15.00 C ATOM 0 HA PRO B 209 10.053 -2.354 1.194 1.00 15.00 H new ATOM 0 HB2 PRO B 209 8.962 -0.184 -0.637 1.00 15.00 H new ATOM 0 HB3 PRO B 209 10.562 -0.897 -0.647 1.00 15.00 H new ATOM 0 HG2 PRO B 209 8.838 -1.583 -2.536 1.00 15.00 H new ATOM 0 HG3 PRO B 209 9.848 -2.821 -1.814 1.00 15.00 H new ATOM 0 HD2 PRO B 209 6.940 -2.216 -1.297 1.00 15.00 H new ATOM 0 HD3 PRO B 209 7.734 -3.773 -1.422 1.00 15.00 H new ATOM 656 N PRO B 210 9.673 -0.507 2.776 1.00 15.00 N ATOM 657 CA PRO B 210 9.379 0.360 3.921 1.00 15.00 C ATOM 658 C PRO B 210 8.678 1.657 3.526 1.00 15.00 C ATOM 659 O PRO B 210 9.206 2.464 2.756 1.00 15.00 O ATOM 660 CB PRO B 210 10.759 0.658 4.528 1.00 15.00 C ATOM 661 CG PRO B 210 11.758 0.138 3.545 1.00 15.00 C ATOM 662 CD PRO B 210 11.069 -0.960 2.793 1.00 15.00 C ATOM 0 HA PRO B 210 8.692 -0.126 4.614 1.00 15.00 H new ATOM 0 HB2 PRO B 210 10.891 1.728 4.691 1.00 15.00 H new ATOM 0 HB3 PRO B 210 10.874 0.171 5.496 1.00 15.00 H new ATOM 0 HG2 PRO B 210 12.086 0.927 2.869 1.00 15.00 H new ATOM 0 HG3 PRO B 210 12.647 -0.236 4.053 1.00 15.00 H new ATOM 0 HD2 PRO B 210 11.470 -1.076 1.786 1.00 15.00 H new ATOM 0 HD3 PRO B 210 11.177 -1.923 3.292 1.00 15.00 H new ATOM 670 N TYR B 211 7.484 1.844 4.066 1.00 15.00 N ATOM 671 CA TYR B 211 6.678 3.013 3.772 1.00 15.00 C ATOM 672 C TYR B 211 7.011 4.136 4.742 1.00 15.00 C ATOM 673 O TYR B 211 6.711 4.045 5.930 1.00 15.00 O ATOM 674 CB TYR B 211 5.194 2.653 3.876 1.00 15.00 C ATOM 675 CG TYR B 211 4.252 3.757 3.455 1.00 15.00 C ATOM 676 CD1 TYR B 211 4.139 4.128 2.124 1.00 15.00 C ATOM 677 CD2 TYR B 211 3.457 4.413 4.388 1.00 15.00 C ATOM 678 CE1 TYR B 211 3.261 5.117 1.732 1.00 15.00 C ATOM 679 CE2 TYR B 211 2.580 5.408 4.001 1.00 15.00 C ATOM 680 CZ TYR B 211 2.485 5.754 2.673 1.00 15.00 C ATOM 681 OH TYR B 211 1.602 6.731 2.280 1.00 15.00 O ATOM 0 H TYR B 211 7.050 1.191 4.718 1.00 15.00 H new ATOM 0 HA TYR B 211 6.895 3.351 2.759 1.00 15.00 H new ATOM 0 HB2 TYR B 211 5.002 1.774 3.261 1.00 15.00 H new ATOM 0 HB3 TYR B 211 4.971 2.376 4.906 1.00 15.00 H new ATOM 0 HD1 TYR B 211 4.749 3.634 1.382 1.00 15.00 H new ATOM 0 HD2 TYR B 211 3.526 4.141 5.431 1.00 15.00 H new ATOM 0 HE1 TYR B 211 3.183 5.390 0.690 1.00 15.00 H new ATOM 0 HE2 TYR B 211 1.972 5.912 4.738 1.00 15.00 H new ATOM 0 HH TYR B 211 1.213 7.158 3.072 1.00 15.00 H new ATOM 691 N SER B 212 7.655 5.178 4.243 1.00 15.00 N ATOM 692 CA SER B 212 8.021 6.299 5.087 1.00 15.00 C ATOM 693 C SER B 212 6.956 7.394 5.013 1.00 15.00 C ATOM 694 O SER B 212 6.144 7.538 5.928 1.00 15.00 O ATOM 695 CB SER B 212 9.392 6.844 4.670 1.00 15.00 C ATOM 696 OG SER B 212 9.814 7.892 5.527 1.00 15.00 O ATOM 0 H SER B 212 7.933 5.270 3.266 1.00 15.00 H new ATOM 0 HA SER B 212 8.083 5.957 6.120 1.00 15.00 H new ATOM 0 HB2 SER B 212 10.126 6.039 4.688 1.00 15.00 H new ATOM 0 HB3 SER B 212 9.344 7.208 3.644 1.00 15.00 H new ATOM 0 HG SER B 212 10.692 8.218 5.237 1.00 15.00 H new ATOM 702 N ARG B 213 6.931 8.140 3.913 1.00 15.00 N ATOM 703 CA ARG B 213 5.916 9.173 3.738 1.00 15.00 C ATOM 704 C ARG B 213 5.074 8.916 2.495 1.00 15.00 C ATOM 705 O ARG B 213 3.845 8.912 2.555 1.00 15.00 O ATOM 706 CB ARG B 213 6.545 10.569 3.666 1.00 15.00 C ATOM 707 CG ARG B 213 5.510 11.680 3.548 1.00 15.00 C ATOM 708 CD ARG B 213 6.148 13.058 3.511 1.00 15.00 C ATOM 709 NE ARG B 213 6.781 13.423 4.778 1.00 15.00 N ATOM 710 CZ ARG B 213 7.161 14.665 5.081 1.00 15.00 C ATOM 711 NH1 ARG B 213 6.889 15.665 4.249 1.00 15.00 N1+ ATOM 712 NH2 ARG B 213 7.779 14.916 6.228 1.00 15.00 N ATOM 0 H ARG B 213 7.591 8.051 3.140 1.00 15.00 H new ATOM 0 HA ARG B 213 5.265 9.133 4.612 1.00 15.00 H new ATOM 0 HB2 ARG B 213 7.150 10.736 4.557 1.00 15.00 H new ATOM 0 HB3 ARG B 213 7.219 10.615 2.810 1.00 15.00 H new ATOM 0 HG2 ARG B 213 4.920 11.530 2.644 1.00 15.00 H new ATOM 0 HG3 ARG B 213 4.821 11.623 4.391 1.00 15.00 H new ATOM 0 HD2 ARG B 213 6.893 13.087 2.716 1.00 15.00 H new ATOM 0 HD3 ARG B 213 5.388 13.799 3.263 1.00 15.00 H new ATOM 0 HE ARG B 213 6.940 12.688 5.467 1.00 15.00 H new ATOM 0 HH11 ARG B 213 6.390 15.483 3.379 1.00 15.00 H new ATOM 0 HH12 ARG B 213 7.180 16.615 4.481 1.00 15.00 H new ATOM 0 HH21 ARG B 213 7.966 14.157 6.883 1.00 15.00 H new ATOM 0 HH22 ARG B 213 8.067 15.868 6.454 1.00 15.00 H new ATOM 726 N TYR B 214 5.743 8.733 1.365 1.00 15.00 N ATOM 727 CA TYR B 214 5.066 8.505 0.099 1.00 15.00 C ATOM 728 C TYR B 214 5.161 7.037 -0.296 1.00 15.00 C ATOM 729 O TYR B 214 6.030 6.320 0.202 1.00 15.00 O ATOM 730 CB TYR B 214 5.701 9.363 -1.000 1.00 15.00 C ATOM 731 CG TYR B 214 5.550 10.849 -0.789 1.00 15.00 C ATOM 732 CD1 TYR B 214 4.369 11.496 -1.131 1.00 15.00 C ATOM 733 CD2 TYR B 214 6.585 11.606 -0.257 1.00 15.00 C ATOM 734 CE1 TYR B 214 4.226 12.856 -0.947 1.00 15.00 C ATOM 735 CE2 TYR B 214 6.450 12.967 -0.072 1.00 15.00 C ATOM 736 CZ TYR B 214 5.267 13.588 -0.418 1.00 15.00 C ATOM 737 OH TYR B 214 5.128 14.946 -0.242 1.00 15.00 O ATOM 0 H TYR B 214 6.761 8.738 1.301 1.00 15.00 H new ATOM 0 HA TYR B 214 4.018 8.780 0.217 1.00 15.00 H new ATOM 0 HB2 TYR B 214 6.762 9.123 -1.065 1.00 15.00 H new ATOM 0 HB3 TYR B 214 5.254 9.096 -1.958 1.00 15.00 H new ATOM 0 HD1 TYR B 214 3.551 10.926 -1.547 1.00 15.00 H new ATOM 0 HD2 TYR B 214 7.511 11.122 0.017 1.00 15.00 H new ATOM 0 HE1 TYR B 214 3.302 13.345 -1.217 1.00 15.00 H new ATOM 0 HE2 TYR B 214 7.265 13.543 0.341 1.00 15.00 H new ATOM 0 HH TYR B 214 5.952 15.312 0.142 1.00 15.00 H new ATOM 747 N PRO B 215 4.291 6.568 -1.211 1.00 15.00 N ATOM 748 CA PRO B 215 4.384 5.213 -1.746 1.00 15.00 C ATOM 749 C PRO B 215 5.609 5.074 -2.638 1.00 15.00 C ATOM 750 O PRO B 215 5.675 5.668 -3.718 1.00 15.00 O ATOM 751 CB PRO B 215 3.098 5.033 -2.565 1.00 15.00 C ATOM 752 CG PRO B 215 2.229 6.195 -2.217 1.00 15.00 C ATOM 753 CD PRO B 215 3.151 7.299 -1.788 1.00 15.00 C ATOM 0 HA PRO B 215 4.484 4.463 -0.961 1.00 15.00 H new ATOM 0 HB2 PRO B 215 3.314 5.012 -3.633 1.00 15.00 H new ATOM 0 HB3 PRO B 215 2.607 4.091 -2.321 1.00 15.00 H new ATOM 0 HG2 PRO B 215 1.628 6.501 -3.073 1.00 15.00 H new ATOM 0 HG3 PRO B 215 1.535 5.936 -1.417 1.00 15.00 H new ATOM 0 HD2 PRO B 215 3.454 7.922 -2.629 1.00 15.00 H new ATOM 0 HD3 PRO B 215 2.681 7.957 -1.057 1.00 15.00 H new ATOM 761 N MET B 216 6.596 4.334 -2.159 1.00 15.00 N ATOM 762 CA MET B 216 7.875 4.236 -2.842 1.00 15.00 C ATOM 763 C MET B 216 8.361 2.790 -2.884 1.00 15.00 C ATOM 764 O MET B 216 8.740 2.224 -1.859 1.00 15.00 O ATOM 765 CB MET B 216 8.913 5.125 -2.142 1.00 15.00 C ATOM 766 CG MET B 216 8.620 6.613 -2.258 1.00 15.00 C ATOM 767 SD MET B 216 9.863 7.636 -1.444 1.00 15.00 S ATOM 768 CE MET B 216 9.777 7.010 0.232 1.00 15.00 C ATOM 0 H MET B 216 6.535 3.791 -1.298 1.00 15.00 H new ATOM 0 HA MET B 216 7.744 4.580 -3.868 1.00 15.00 H new ATOM 0 HB2 MET B 216 8.959 4.854 -1.087 1.00 15.00 H new ATOM 0 HB3 MET B 216 9.897 4.923 -2.566 1.00 15.00 H new ATOM 0 HG2 MET B 216 8.564 6.887 -3.312 1.00 15.00 H new ATOM 0 HG3 MET B 216 7.643 6.821 -1.822 1.00 15.00 H new ATOM 0 HE1 MET B 216 10.200 7.745 0.917 1.00 15.00 H new ATOM 0 HE2 MET B 216 8.737 6.823 0.498 1.00 15.00 H new ATOM 0 HE3 MET B 216 10.342 6.081 0.303 1.00 15.00 H new ATOM 778 N ASP B 217 8.311 2.191 -4.065 1.00 15.00 N ATOM 779 CA ASP B 217 8.823 0.843 -4.270 1.00 15.00 C ATOM 780 C ASP B 217 10.217 0.917 -4.879 1.00 15.00 C ATOM 781 O ASP B 217 10.327 1.276 -6.071 1.00 15.00 O ATOM 782 CB ASP B 217 7.879 0.045 -5.177 1.00 15.00 C ATOM 783 CG ASP B 217 8.415 -1.331 -5.541 1.00 15.00 C ATOM 784 OD1 ASP B 217 8.209 -2.291 -4.766 1.00 15.00 O ATOM 785 OD2 ASP B 217 9.016 -1.467 -6.626 1.00 15.00 O1- ATOM 786 OXT ASP B 217 11.200 0.649 -4.154 1.00 15.00 O ATOM 0 H ASP B 217 7.918 2.621 -4.902 1.00 15.00 H new ATOM 0 HA ASP B 217 8.882 0.331 -3.310 1.00 15.00 H new ATOM 0 HB2 ASP B 217 6.916 -0.068 -4.678 1.00 15.00 H new ATOM 0 HB3 ASP B 217 7.700 0.611 -6.091 1.00 15.00 H new