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 385 ASN : amide:sc= -4.55! C(o=-3.2!,f=-10!) USER MOD Set 1.2: A 387 ASN : amide:sc= 0.688 K(o=-3.2,f=-5.2!) USER MOD Set 1.3: A 388 ASN : amide:sc= 0.00706 K(o=-3.2,f=-9.2!) USER MOD Set 1.4: A 390 THR OG1 : rot 8:sc= 0.635 USER MOD Set 2.1: A 386 HIS : no HD1:sc= 0.624 K(o=1.7,f=-3.1!) USER MOD Set 2.2: B 211 TYR OH : rot -104:sc= 1.12 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000259) USER MOD Single : A 378 LYS NZ :NH3+ 173:sc= 3.22 (180deg=3) USER MOD Single : A 381 THR OG1 : rot 49:sc= 0.301 USER MOD Single : A 382 TYR OH : rot 180:sc= 0 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 31:sc= 0.571 USER MOD Single : A 392 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 394 THR OG1 : rot 180:sc= 0 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 159:sc= -0.16 (180deg=-0.711) USER MOD ----------------------------------------------------------------- ATOM 24 N LEU A 367 -13.076 1.985 -1.592 1.00 15.00 N ATOM 25 CA LEU A 367 -11.809 2.647 -1.314 1.00 15.00 C ATOM 26 C LEU A 367 -11.893 3.335 0.049 1.00 15.00 C ATOM 27 O LEU A 367 -12.754 4.192 0.260 1.00 15.00 O ATOM 28 CB LEU A 367 -11.500 3.666 -2.425 1.00 15.00 C ATOM 29 CG LEU A 367 -10.033 4.109 -2.557 1.00 15.00 C ATOM 30 CD1 LEU A 367 -9.819 4.813 -3.887 1.00 15.00 C ATOM 31 CD2 LEU A 367 -9.625 5.028 -1.416 1.00 15.00 C ATOM 0 HA LEU A 367 -11.002 1.914 -1.290 1.00 15.00 H new ATOM 0 HB2 LEU A 367 -11.815 3.239 -3.377 1.00 15.00 H new ATOM 0 HB3 LEU A 367 -12.111 4.553 -2.255 1.00 15.00 H new ATOM 0 HG LEU A 367 -9.409 3.216 -2.512 1.00 15.00 H new ATOM 0 HD11 LEU A 367 -8.777 5.123 -3.971 1.00 15.00 H new ATOM 0 HD12 LEU A 367 -10.062 4.132 -4.702 1.00 15.00 H new ATOM 0 HD13 LEU A 367 -10.464 5.690 -3.942 1.00 15.00 H new ATOM 0 HD21 LEU A 367 -8.583 5.322 -1.540 1.00 15.00 H new ATOM 0 HD22 LEU A 367 -10.256 5.917 -1.421 1.00 15.00 H new ATOM 0 HD23 LEU A 367 -9.744 4.505 -0.467 1.00 15.00 H new ATOM 43 N PRO A 368 -11.004 2.983 0.990 1.00 15.00 N ATOM 44 CA PRO A 368 -11.025 3.549 2.335 1.00 15.00 C ATOM 45 C PRO A 368 -10.184 4.822 2.453 1.00 15.00 C ATOM 46 O PRO A 368 -9.108 4.939 1.861 1.00 15.00 O ATOM 47 CB PRO A 368 -10.423 2.421 3.169 1.00 15.00 C ATOM 48 CG PRO A 368 -9.468 1.722 2.253 1.00 15.00 C ATOM 49 CD PRO A 368 -9.943 1.969 0.841 1.00 15.00 C ATOM 0 HA PRO A 368 -12.024 3.856 2.646 1.00 15.00 H new ATOM 0 HB2 PRO A 368 -9.911 2.812 4.048 1.00 15.00 H new ATOM 0 HB3 PRO A 368 -11.196 1.740 3.526 1.00 15.00 H new ATOM 0 HG2 PRO A 368 -8.455 2.101 2.390 1.00 15.00 H new ATOM 0 HG3 PRO A 368 -9.440 0.654 2.468 1.00 15.00 H new ATOM 0 HD2 PRO A 368 -9.134 2.329 0.206 1.00 15.00 H new ATOM 0 HD3 PRO A 368 -10.325 1.056 0.384 1.00 15.00 H new ATOM 57 N SER A 369 -10.678 5.765 3.246 1.00 15.00 N ATOM 58 CA SER A 369 -10.057 7.077 3.379 1.00 15.00 C ATOM 59 C SER A 369 -8.726 6.972 4.120 1.00 15.00 C ATOM 60 O SER A 369 -8.646 6.378 5.198 1.00 15.00 O ATOM 61 CB SER A 369 -11.008 8.021 4.123 1.00 15.00 C ATOM 62 OG SER A 369 -10.506 9.347 4.152 1.00 15.00 O ATOM 0 H SER A 369 -11.517 5.643 3.813 1.00 15.00 H new ATOM 0 HA SER A 369 -9.859 7.476 2.384 1.00 15.00 H new ATOM 0 HB2 SER A 369 -11.985 8.011 3.639 1.00 15.00 H new ATOM 0 HB3 SER A 369 -11.154 7.663 5.142 1.00 15.00 H new ATOM 0 HG SER A 369 -11.136 9.925 4.632 1.00 15.00 H new ATOM 68 N GLY A 370 -7.691 7.566 3.540 1.00 15.00 N ATOM 69 CA GLY A 370 -6.360 7.486 4.109 1.00 15.00 C ATOM 70 C GLY A 370 -5.468 6.553 3.319 1.00 15.00 C ATOM 71 O GLY A 370 -4.241 6.594 3.439 1.00 15.00 O ATOM 0 H GLY A 370 -7.751 8.107 2.677 1.00 15.00 H new ATOM 0 HA2 GLY A 370 -5.915 8.481 4.134 1.00 15.00 H new ATOM 0 HA3 GLY A 370 -6.426 7.140 5.141 1.00 15.00 H new ATOM 75 N TRP A 371 -6.089 5.725 2.496 1.00 15.00 N ATOM 76 CA TRP A 371 -5.375 4.728 1.718 1.00 15.00 C ATOM 77 C TRP A 371 -5.173 5.188 0.281 1.00 15.00 C ATOM 78 O TRP A 371 -6.081 5.738 -0.345 1.00 15.00 O ATOM 79 CB TRP A 371 -6.145 3.408 1.717 1.00 15.00 C ATOM 80 CG TRP A 371 -6.156 2.695 3.037 1.00 15.00 C ATOM 81 CD1 TRP A 371 -6.897 3.003 4.142 1.00 15.00 C ATOM 82 CD2 TRP A 371 -5.391 1.533 3.379 1.00 15.00 C ATOM 83 NE1 TRP A 371 -6.657 2.090 5.141 1.00 15.00 N ATOM 84 CE2 TRP A 371 -5.730 1.182 4.699 1.00 15.00 C ATOM 85 CE3 TRP A 371 -4.454 0.753 2.694 1.00 15.00 C ATOM 86 CZ2 TRP A 371 -5.163 0.087 5.347 1.00 15.00 C ATOM 87 CZ3 TRP A 371 -3.894 -0.333 3.336 1.00 15.00 C ATOM 88 CH2 TRP A 371 -4.249 -0.657 4.650 1.00 15.00 C ATOM 0 H TRP A 371 -7.098 5.725 2.349 1.00 15.00 H new ATOM 0 HA TRP A 371 -4.398 4.587 2.181 1.00 15.00 H new ATOM 0 HB2 TRP A 371 -7.174 3.602 1.414 1.00 15.00 H new ATOM 0 HB3 TRP A 371 -5.711 2.749 0.966 1.00 15.00 H new ATOM 0 HD1 TRP A 371 -7.573 3.842 4.220 1.00 15.00 H new ATOM 0 HE1 TRP A 371 -7.097 2.088 6.061 1.00 15.00 H new ATOM 0 HE3 TRP A 371 -4.173 0.996 1.680 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 -5.434 -0.166 6.361 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 -3.170 -0.943 2.816 1.00 15.00 H new ATOM 0 HH2 TRP A 371 -3.792 -1.513 5.125 1.00 15.00 H new ATOM 99 N GLU A 372 -3.985 4.941 -0.241 1.00 15.00 N ATOM 100 CA GLU A 372 -3.700 5.175 -1.641 1.00 15.00 C ATOM 101 C GLU A 372 -3.325 3.867 -2.319 1.00 15.00 C ATOM 102 O GLU A 372 -2.255 3.304 -2.083 1.00 15.00 O ATOM 103 CB GLU A 372 -2.605 6.227 -1.824 1.00 15.00 C ATOM 104 CG GLU A 372 -3.134 7.643 -1.925 1.00 15.00 C ATOM 105 CD GLU A 372 -2.023 8.668 -1.990 1.00 15.00 C ATOM 106 OE1 GLU A 372 -1.296 8.700 -3.001 1.00 15.00 O ATOM 107 OE2 GLU A 372 -1.876 9.448 -1.026 1.00 15.00 O1- ATOM 0 H GLU A 372 -3.196 4.575 0.292 1.00 15.00 H new ATOM 0 HA GLU A 372 -4.600 5.568 -2.113 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.911 6.166 -0.986 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -2.037 5.995 -2.725 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -3.760 7.732 -2.813 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -3.769 7.853 -1.065 1.00 15.00 H new ATOM 114 N GLU A 373 -4.240 3.371 -3.130 1.00 15.00 N ATOM 115 CA GLU A 373 -4.066 2.099 -3.810 1.00 15.00 C ATOM 116 C GLU A 373 -3.401 2.340 -5.141 1.00 15.00 C ATOM 117 O GLU A 373 -4.024 2.852 -6.073 1.00 15.00 O ATOM 118 CB GLU A 373 -5.420 1.458 -4.032 1.00 15.00 C ATOM 119 CG GLU A 373 -6.403 1.844 -2.959 1.00 15.00 C ATOM 120 CD GLU A 373 -7.811 1.377 -3.262 1.00 15.00 C ATOM 121 OE1 GLU A 373 -8.083 1.012 -4.428 1.00 15.00 O ATOM 122 OE2 GLU A 373 -8.645 1.338 -2.341 1.00 15.00 O1- ATOM 0 H GLU A 373 -5.124 3.836 -3.337 1.00 15.00 H new ATOM 0 HA GLU A 373 -3.447 1.438 -3.203 1.00 15.00 H new ATOM 0 HB2 GLU A 373 -5.809 1.757 -5.006 1.00 15.00 H new ATOM 0 HB3 GLU A 373 -5.310 0.374 -4.052 1.00 15.00 H new ATOM 0 HG2 GLU A 373 -6.081 1.421 -2.008 1.00 15.00 H new ATOM 0 HG3 GLU A 373 -6.401 2.928 -2.843 1.00 15.00 H new ATOM 129 N ARG A 374 -2.136 2.007 -5.229 1.00 15.00 N ATOM 130 CA ARG A 374 -1.353 2.420 -6.367 1.00 15.00 C ATOM 131 C ARG A 374 -0.571 1.256 -6.955 1.00 15.00 C ATOM 132 O ARG A 374 0.138 0.533 -6.249 1.00 15.00 O ATOM 133 CB ARG A 374 -0.452 3.574 -5.935 1.00 15.00 C ATOM 134 CG ARG A 374 -1.252 4.768 -5.414 1.00 15.00 C ATOM 135 CD ARG A 374 -0.351 5.844 -4.822 1.00 15.00 C ATOM 136 NE ARG A 374 0.550 6.414 -5.824 1.00 15.00 N ATOM 137 CZ ARG A 374 0.752 7.723 -5.997 1.00 15.00 C ATOM 138 NH1 ARG A 374 0.143 8.611 -5.220 1.00 15.00 N1+ ATOM 139 NH2 ARG A 374 1.575 8.141 -6.949 1.00 15.00 N ATOM 0 H ARG A 374 -1.631 1.457 -4.534 1.00 15.00 H new ATOM 0 HA ARG A 374 -2.008 2.765 -7.167 1.00 15.00 H new ATOM 0 HB2 ARG A 374 0.230 3.229 -5.158 1.00 15.00 H new ATOM 0 HB3 ARG A 374 0.161 3.890 -6.779 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -1.839 5.194 -6.228 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -1.958 4.429 -4.656 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -0.965 6.636 -4.394 1.00 15.00 H new ATOM 0 HD3 ARG A 374 0.235 5.419 -4.007 1.00 15.00 H new ATOM 0 HE ARG A 374 1.057 5.769 -6.430 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -0.487 8.296 -4.482 1.00 15.00 H new ATOM 0 HH12 ARG A 374 0.305 9.608 -5.361 1.00 15.00 H new ATOM 0 HH21 ARG A 374 2.051 7.464 -7.545 1.00 15.00 H new ATOM 0 HH22 ARG A 374 1.732 9.140 -7.085 1.00 15.00 H new ATOM 153 N LYS A 375 -0.740 1.070 -8.255 1.00 15.00 N ATOM 154 CA LYS A 375 -0.103 -0.018 -8.974 1.00 15.00 C ATOM 155 C LYS A 375 1.061 0.529 -9.791 1.00 15.00 C ATOM 156 O LYS A 375 0.868 1.365 -10.674 1.00 15.00 O ATOM 157 CB LYS A 375 -1.097 -0.724 -9.916 1.00 15.00 C ATOM 158 CG LYS A 375 -2.361 -1.280 -9.253 1.00 15.00 C ATOM 159 CD LYS A 375 -3.352 -0.178 -8.895 1.00 15.00 C ATOM 160 CE LYS A 375 -4.747 -0.722 -8.614 1.00 15.00 C ATOM 161 NZ LYS A 375 -4.775 -1.693 -7.489 1.00 15.00 N1+ ATOM 0 H LYS A 375 -1.323 1.670 -8.839 1.00 15.00 H new ATOM 0 HA LYS A 375 0.255 -0.745 -8.245 1.00 15.00 H new ATOM 0 HB2 LYS A 375 -1.396 -0.020 -10.692 1.00 15.00 H new ATOM 0 HB3 LYS A 375 -0.579 -1.544 -10.412 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -2.839 -1.993 -9.925 1.00 15.00 H new ATOM 0 HG3 LYS A 375 -2.086 -1.827 -8.351 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -2.992 0.361 -8.019 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -3.403 0.541 -9.713 1.00 15.00 H new ATOM 0 HE2 LYS A 375 -5.416 0.108 -8.387 1.00 15.00 H new ATOM 0 HE3 LYS A 375 -5.131 -1.204 -9.513 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 -5.751 -2.016 -7.333 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 -4.173 -2.509 -7.720 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -4.420 -1.234 -6.626 1.00 15.00 H new ATOM 175 N ASP A 376 2.264 0.058 -9.503 1.00 15.00 N ATOM 176 CA ASP A 376 3.451 0.545 -10.197 1.00 15.00 C ATOM 177 C ASP A 376 3.715 -0.302 -11.440 1.00 15.00 C ATOM 178 O ASP A 376 3.413 -1.495 -11.456 1.00 15.00 O ATOM 179 CB ASP A 376 4.664 0.523 -9.266 1.00 15.00 C ATOM 180 CG ASP A 376 5.731 1.511 -9.701 1.00 15.00 C ATOM 181 OD1 ASP A 376 5.659 2.014 -10.839 1.00 15.00 O ATOM 182 OD2 ASP A 376 6.643 1.792 -8.905 1.00 15.00 O1- ATOM 0 H ASP A 376 2.446 -0.657 -8.798 1.00 15.00 H new ATOM 0 HA ASP A 376 3.277 1.576 -10.506 1.00 15.00 H new ATOM 0 HB2 ASP A 376 4.346 0.757 -8.250 1.00 15.00 H new ATOM 0 HB3 ASP A 376 5.087 -0.481 -9.245 1.00 15.00 H new ATOM 187 N ALA A 377 4.314 0.317 -12.457 1.00 15.00 N ATOM 188 CA ALA A 377 4.434 -0.272 -13.796 1.00 15.00 C ATOM 189 C ALA A 377 5.211 -1.594 -13.817 1.00 15.00 C ATOM 190 O ALA A 377 5.035 -2.398 -14.731 1.00 15.00 O ATOM 191 CB ALA A 377 5.078 0.728 -14.744 1.00 15.00 C ATOM 0 H ALA A 377 4.732 1.244 -12.378 1.00 15.00 H new ATOM 0 HA ALA A 377 3.422 -0.507 -14.125 1.00 15.00 H new ATOM 0 HB1 ALA A 377 5.164 0.285 -15.736 1.00 15.00 H new ATOM 0 HB2 ALA A 377 4.462 1.625 -14.800 1.00 15.00 H new ATOM 0 HB3 ALA A 377 6.070 0.991 -14.376 1.00 15.00 H new ATOM 197 N LYS A 378 6.060 -1.825 -12.821 1.00 15.00 N ATOM 198 CA LYS A 378 6.781 -3.100 -12.709 1.00 15.00 C ATOM 199 C LYS A 378 5.804 -4.232 -12.416 1.00 15.00 C ATOM 200 O LYS A 378 6.146 -5.410 -12.501 1.00 15.00 O ATOM 201 CB LYS A 378 7.838 -3.086 -11.606 1.00 15.00 C ATOM 202 CG LYS A 378 8.657 -1.817 -11.519 1.00 15.00 C ATOM 203 CD LYS A 378 8.111 -0.911 -10.437 1.00 15.00 C ATOM 204 CE LYS A 378 9.232 -0.207 -9.691 1.00 15.00 C ATOM 205 NZ LYS A 378 8.764 0.377 -8.412 1.00 15.00 N1+ ATOM 0 H LYS A 378 6.269 -1.154 -12.081 1.00 15.00 H new ATOM 0 HA LYS A 378 7.283 -3.253 -13.664 1.00 15.00 H new ATOM 0 HB2 LYS A 378 7.344 -3.247 -10.648 1.00 15.00 H new ATOM 0 HB3 LYS A 378 8.514 -3.927 -11.761 1.00 15.00 H new ATOM 0 HG2 LYS A 378 9.698 -2.062 -11.306 1.00 15.00 H new ATOM 0 HG3 LYS A 378 8.641 -1.299 -12.478 1.00 15.00 H new ATOM 0 HD2 LYS A 378 7.445 -0.171 -10.881 1.00 15.00 H new ATOM 0 HD3 LYS A 378 7.515 -1.496 -9.736 1.00 15.00 H new ATOM 0 HE2 LYS A 378 10.037 -0.915 -9.494 1.00 15.00 H new ATOM 0 HE3 LYS A 378 9.647 0.581 -10.319 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 9.578 0.743 -7.879 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 8.100 1.153 -8.607 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 8.284 -0.356 -7.851 1.00 15.00 H new ATOM 219 N GLY A 379 4.599 -3.850 -12.027 1.00 15.00 N ATOM 220 CA GLY A 379 3.626 -4.788 -11.529 1.00 15.00 C ATOM 221 C GLY A 379 3.737 -4.948 -10.036 1.00 15.00 C ATOM 222 O GLY A 379 3.774 -6.055 -9.505 1.00 15.00 O ATOM 0 H GLY A 379 4.275 -2.883 -12.050 1.00 15.00 H new ATOM 0 HA2 GLY A 379 2.623 -4.447 -11.787 1.00 15.00 H new ATOM 0 HA3 GLY A 379 3.768 -5.755 -12.012 1.00 15.00 H new ATOM 226 N ARG A 380 3.800 -3.809 -9.360 1.00 15.00 N ATOM 227 CA ARG A 380 3.845 -3.775 -7.910 1.00 15.00 C ATOM 228 C ARG A 380 2.558 -3.158 -7.384 1.00 15.00 C ATOM 229 O ARG A 380 2.327 -1.957 -7.536 1.00 15.00 O ATOM 230 CB ARG A 380 5.052 -2.967 -7.427 1.00 15.00 C ATOM 231 CG ARG A 380 6.371 -3.419 -8.031 1.00 15.00 C ATOM 232 CD ARG A 380 6.741 -4.826 -7.597 1.00 15.00 C ATOM 233 NE ARG A 380 7.115 -4.898 -6.185 1.00 15.00 N ATOM 234 CZ ARG A 380 7.253 -6.043 -5.515 1.00 15.00 C ATOM 235 NH1 ARG A 380 6.976 -7.203 -6.108 1.00 15.00 N1+ ATOM 236 NH2 ARG A 380 7.653 -6.030 -4.249 1.00 15.00 N ATOM 0 H ARG A 380 3.821 -2.889 -9.801 1.00 15.00 H new ATOM 0 HA ARG A 380 3.944 -4.793 -7.532 1.00 15.00 H new ATOM 0 HB2 ARG A 380 4.894 -1.916 -7.667 1.00 15.00 H new ATOM 0 HB3 ARG A 380 5.116 -3.040 -6.341 1.00 15.00 H new ATOM 0 HG2 ARG A 380 6.304 -3.380 -9.118 1.00 15.00 H new ATOM 0 HG3 ARG A 380 7.161 -2.729 -7.735 1.00 15.00 H new ATOM 0 HD2 ARG A 380 5.898 -5.492 -7.780 1.00 15.00 H new ATOM 0 HD3 ARG A 380 7.570 -5.185 -8.207 1.00 15.00 H new ATOM 0 HE ARG A 380 7.279 -4.024 -5.685 1.00 15.00 H new ATOM 0 HH11 ARG A 380 6.657 -7.217 -7.077 1.00 15.00 H new ATOM 0 HH12 ARG A 380 7.082 -8.077 -5.593 1.00 15.00 H new ATOM 0 HH21 ARG A 380 7.855 -5.143 -3.787 1.00 15.00 H new ATOM 0 HH22 ARG A 380 7.758 -6.907 -3.738 1.00 15.00 H new ATOM 250 N THR A 381 1.703 -3.985 -6.815 1.00 15.00 N ATOM 251 CA THR A 381 0.425 -3.524 -6.308 1.00 15.00 C ATOM 252 C THR A 381 0.467 -3.361 -4.793 1.00 15.00 C ATOM 253 O THR A 381 0.204 -4.308 -4.053 1.00 15.00 O ATOM 254 CB THR A 381 -0.699 -4.504 -6.695 1.00 15.00 C ATOM 255 OG1 THR A 381 -0.308 -5.842 -6.366 1.00 15.00 O ATOM 256 CG2 THR A 381 -1.009 -4.414 -8.180 1.00 15.00 C ATOM 0 H THR A 381 1.871 -4.984 -6.692 1.00 15.00 H new ATOM 0 HA THR A 381 0.219 -2.553 -6.759 1.00 15.00 H new ATOM 0 HB THR A 381 -1.596 -4.236 -6.137 1.00 15.00 H new ATOM 0 HG1 THR A 381 0.028 -5.868 -5.446 1.00 15.00 H new ATOM 0 HG21 THR A 381 -1.806 -5.115 -8.429 1.00 15.00 H new ATOM 0 HG22 THR A 381 -1.328 -3.401 -8.424 1.00 15.00 H new ATOM 0 HG23 THR A 381 -0.116 -4.661 -8.754 1.00 15.00 H new ATOM 264 N TYR A 382 0.817 -2.170 -4.333 1.00 15.00 N ATOM 265 CA TYR A 382 0.914 -1.923 -2.907 1.00 15.00 C ATOM 266 C TYR A 382 -0.188 -0.983 -2.438 1.00 15.00 C ATOM 267 O TYR A 382 -0.351 0.124 -2.953 1.00 15.00 O ATOM 268 CB TYR A 382 2.302 -1.379 -2.530 1.00 15.00 C ATOM 269 CG TYR A 382 2.859 -0.323 -3.467 1.00 15.00 C ATOM 270 CD1 TYR A 382 2.518 1.016 -3.329 1.00 15.00 C ATOM 271 CD2 TYR A 382 3.747 -0.671 -4.478 1.00 15.00 C ATOM 272 CE1 TYR A 382 3.042 1.978 -4.174 1.00 15.00 C ATOM 273 CE2 TYR A 382 4.278 0.284 -5.322 1.00 15.00 C ATOM 274 CZ TYR A 382 3.922 1.606 -5.168 1.00 15.00 C ATOM 275 OH TYR A 382 4.453 2.562 -6.006 1.00 15.00 O ATOM 0 H TYR A 382 1.037 -1.367 -4.922 1.00 15.00 H new ATOM 0 HA TYR A 382 0.781 -2.876 -2.395 1.00 15.00 H new ATOM 0 HB2 TYR A 382 2.249 -0.959 -1.526 1.00 15.00 H new ATOM 0 HB3 TYR A 382 3.003 -2.213 -2.491 1.00 15.00 H new ATOM 0 HD1 TYR A 382 1.832 1.311 -2.549 1.00 15.00 H new ATOM 0 HD2 TYR A 382 4.027 -1.706 -4.606 1.00 15.00 H new ATOM 0 HE1 TYR A 382 2.763 3.015 -4.056 1.00 15.00 H new ATOM 0 HE2 TYR A 382 4.970 -0.004 -6.100 1.00 15.00 H new ATOM 0 HH TYR A 382 5.055 2.134 -6.650 1.00 15.00 H new ATOM 285 N TYR A 383 -0.961 -1.452 -1.476 1.00 15.00 N ATOM 286 CA TYR A 383 -1.978 -0.633 -0.849 1.00 15.00 C ATOM 287 C TYR A 383 -1.379 0.038 0.370 1.00 15.00 C ATOM 288 O TYR A 383 -1.124 -0.615 1.379 1.00 15.00 O ATOM 289 CB TYR A 383 -3.188 -1.481 -0.456 1.00 15.00 C ATOM 290 CG TYR A 383 -3.837 -2.178 -1.631 1.00 15.00 C ATOM 291 CD1 TYR A 383 -3.324 -3.372 -2.127 1.00 15.00 C ATOM 292 CD2 TYR A 383 -4.952 -1.637 -2.248 1.00 15.00 C ATOM 293 CE1 TYR A 383 -3.907 -4.003 -3.206 1.00 15.00 C ATOM 294 CE2 TYR A 383 -5.540 -2.261 -3.330 1.00 15.00 C ATOM 295 CZ TYR A 383 -5.014 -3.445 -3.804 1.00 15.00 C ATOM 296 OH TYR A 383 -5.596 -4.067 -4.884 1.00 15.00 O ATOM 0 H TYR A 383 -0.902 -2.403 -1.111 1.00 15.00 H new ATOM 0 HA TYR A 383 -2.321 0.125 -1.553 1.00 15.00 H new ATOM 0 HB2 TYR A 383 -2.878 -2.228 0.274 1.00 15.00 H new ATOM 0 HB3 TYR A 383 -3.926 -0.845 0.033 1.00 15.00 H new ATOM 0 HD1 TYR A 383 -2.455 -3.812 -1.660 1.00 15.00 H new ATOM 0 HD2 TYR A 383 -5.368 -0.712 -1.877 1.00 15.00 H new ATOM 0 HE1 TYR A 383 -3.497 -4.930 -3.580 1.00 15.00 H new ATOM 0 HE2 TYR A 383 -6.407 -1.825 -3.803 1.00 15.00 H new ATOM 0 HH TYR A 383 -6.367 -3.544 -5.186 1.00 15.00 H new ATOM 306 N VAL A 384 -1.096 1.322 0.252 1.00 15.00 N ATOM 307 CA VAL A 384 -0.430 2.051 1.318 1.00 15.00 C ATOM 308 C VAL A 384 -1.412 2.936 2.070 1.00 15.00 C ATOM 309 O VAL A 384 -2.369 3.451 1.493 1.00 15.00 O ATOM 310 CB VAL A 384 0.737 2.900 0.779 1.00 15.00 C ATOM 311 CG1 VAL A 384 1.834 2.012 0.214 1.00 15.00 C ATOM 312 CG2 VAL A 384 0.258 3.881 -0.268 1.00 15.00 C ATOM 0 H VAL A 384 -1.317 1.883 -0.571 1.00 15.00 H new ATOM 0 HA VAL A 384 -0.024 1.311 2.008 1.00 15.00 H new ATOM 0 HB VAL A 384 1.149 3.468 1.613 1.00 15.00 H new ATOM 0 HG11 VAL A 384 2.648 2.633 -0.161 1.00 15.00 H new ATOM 0 HG12 VAL A 384 2.210 1.355 0.998 1.00 15.00 H new ATOM 0 HG13 VAL A 384 1.432 1.410 -0.601 1.00 15.00 H new ATOM 0 HG21 VAL A 384 1.102 4.467 -0.631 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -0.190 3.336 -1.099 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -0.484 4.548 0.171 1.00 15.00 H new ATOM 322 N ASN A 385 -1.177 3.107 3.360 1.00 15.00 N ATOM 323 CA ASN A 385 -2.099 3.845 4.206 1.00 15.00 C ATOM 324 C ASN A 385 -1.393 4.956 4.968 1.00 15.00 C ATOM 325 O ASN A 385 -0.461 4.699 5.729 1.00 15.00 O ATOM 326 CB ASN A 385 -2.782 2.892 5.186 1.00 15.00 C ATOM 327 CG ASN A 385 -3.781 3.596 6.079 1.00 15.00 C ATOM 328 OD1 ASN A 385 -4.328 4.633 5.718 1.00 15.00 O ATOM 329 ND2 ASN A 385 -4.036 3.034 7.248 1.00 15.00 N ATOM 0 H ASN A 385 -0.356 2.745 3.844 1.00 15.00 H new ATOM 0 HA ASN A 385 -2.848 4.306 3.562 1.00 15.00 H new ATOM 0 HB2 ASN A 385 -3.290 2.105 4.628 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -2.026 2.408 5.804 1.00 15.00 H new ATOM 0 HD21 ASN A 385 -4.708 3.463 7.885 1.00 15.00 H new ATOM 0 HD22 ASN A 385 -3.561 2.171 7.513 1.00 15.00 H new ATOM 336 N HIS A 386 -1.865 6.187 4.775 1.00 15.00 N ATOM 337 CA HIS A 386 -1.308 7.349 5.466 1.00 15.00 C ATOM 338 C HIS A 386 -1.834 7.431 6.892 1.00 15.00 C ATOM 339 O HIS A 386 -1.283 8.153 7.718 1.00 15.00 O ATOM 340 CB HIS A 386 -1.669 8.661 4.761 1.00 15.00 C ATOM 341 CG HIS A 386 -1.098 8.838 3.390 1.00 15.00 C ATOM 342 ND1 HIS A 386 0.059 9.545 3.141 1.00 15.00 N ATOM 343 CD2 HIS A 386 -1.572 8.459 2.183 1.00 15.00 C ATOM 344 CE1 HIS A 386 0.266 9.597 1.838 1.00 15.00 C ATOM 345 NE2 HIS A 386 -0.710 8.946 1.231 1.00 15.00 N ATOM 0 H HIS A 386 -2.635 6.406 4.143 1.00 15.00 H new ATOM 0 HA HIS A 386 -0.226 7.219 5.461 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -2.755 8.730 4.694 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -1.335 9.491 5.384 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -2.465 7.879 2.000 1.00 15.00 H new ATOM 0 HE1 HIS A 386 1.094 10.089 1.350 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.807 8.825 0.223 1.00 15.00 H new ATOM 354 N ASN A 387 -2.923 6.712 7.154 1.00 15.00 N ATOM 355 CA ASN A 387 -3.585 6.749 8.458 1.00 15.00 C ATOM 356 C ASN A 387 -2.651 6.304 9.566 1.00 15.00 C ATOM 357 O ASN A 387 -2.007 7.115 10.226 1.00 15.00 O ATOM 358 CB ASN A 387 -4.813 5.840 8.459 1.00 15.00 C ATOM 359 CG ASN A 387 -6.019 6.477 7.800 1.00 15.00 C ATOM 360 OD1 ASN A 387 -6.196 7.694 7.835 1.00 15.00 O ATOM 361 ND2 ASN A 387 -6.852 5.657 7.183 1.00 15.00 N ATOM 0 H ASN A 387 -3.369 6.093 6.477 1.00 15.00 H new ATOM 0 HA ASN A 387 -3.884 7.781 8.639 1.00 15.00 H new ATOM 0 HB2 ASN A 387 -4.571 4.911 7.942 1.00 15.00 H new ATOM 0 HB3 ASN A 387 -5.063 5.577 9.487 1.00 15.00 H new ATOM 0 HD21 ASN A 387 -7.678 6.028 6.713 1.00 15.00 H new ATOM 0 HD22 ASN A 387 -6.669 4.654 7.177 1.00 15.00 H new ATOM 368 N ASN A 388 -2.565 5.000 9.737 1.00 15.00 N ATOM 369 CA ASN A 388 -1.756 4.413 10.785 1.00 15.00 C ATOM 370 C ASN A 388 -0.335 4.168 10.277 1.00 15.00 C ATOM 371 O ASN A 388 0.571 3.880 11.060 1.00 15.00 O ATOM 372 CB ASN A 388 -2.408 3.126 11.302 1.00 15.00 C ATOM 373 CG ASN A 388 -2.258 1.959 10.351 1.00 15.00 C ATOM 374 OD1 ASN A 388 -3.044 1.785 9.422 1.00 15.00 O ATOM 375 ND2 ASN A 388 -1.256 1.149 10.595 1.00 15.00 N ATOM 0 H ASN A 388 -3.053 4.319 9.155 1.00 15.00 H new ATOM 0 HA ASN A 388 -1.692 5.107 11.623 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -1.966 2.863 12.263 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -3.468 3.309 11.479 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -1.103 0.334 10.002 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -0.629 1.334 11.378 1.00 15.00 H new ATOM 382 N ARG A 389 -0.177 4.236 8.946 1.00 15.00 N ATOM 383 CA ARG A 389 1.115 4.060 8.268 1.00 15.00 C ATOM 384 C ARG A 389 1.457 2.586 8.087 1.00 15.00 C ATOM 385 O ARG A 389 2.307 2.030 8.784 1.00 15.00 O ATOM 386 CB ARG A 389 2.258 4.821 8.955 1.00 15.00 C ATOM 387 CG ARG A 389 2.098 6.332 8.892 1.00 15.00 C ATOM 388 CD ARG A 389 3.294 7.047 9.498 1.00 15.00 C ATOM 389 NE ARG A 389 3.175 8.503 9.403 1.00 15.00 N ATOM 390 CZ ARG A 389 4.217 9.328 9.289 1.00 15.00 C ATOM 391 NH1 ARG A 389 5.455 8.848 9.278 1.00 15.00 N1+ ATOM 392 NH2 ARG A 389 4.020 10.637 9.195 1.00 15.00 N ATOM 0 H ARG A 389 -0.950 4.416 8.305 1.00 15.00 H new ATOM 0 HA ARG A 389 1.003 4.501 7.278 1.00 15.00 H new ATOM 0 HB2 ARG A 389 2.315 4.512 9.999 1.00 15.00 H new ATOM 0 HB3 ARG A 389 3.203 4.543 8.488 1.00 15.00 H new ATOM 0 HG2 ARG A 389 1.975 6.642 7.854 1.00 15.00 H new ATOM 0 HG3 ARG A 389 1.192 6.625 9.422 1.00 15.00 H new ATOM 0 HD2 ARG A 389 3.394 6.760 10.545 1.00 15.00 H new ATOM 0 HD3 ARG A 389 4.203 6.725 8.990 1.00 15.00 H new ATOM 0 HE ARG A 389 2.240 8.911 9.425 1.00 15.00 H new ATOM 0 HH11 ARG A 389 5.613 7.843 9.357 1.00 15.00 H new ATOM 0 HH12 ARG A 389 6.248 9.484 9.191 1.00 15.00 H new ATOM 0 HH21 ARG A 389 3.072 11.012 9.210 1.00 15.00 H new ATOM 0 HH22 ARG A 389 4.817 11.268 9.108 1.00 15.00 H new ATOM 406 N THR A 390 0.715 1.943 7.200 1.00 15.00 N ATOM 407 CA THR A 390 0.890 0.524 6.920 1.00 15.00 C ATOM 408 C THR A 390 0.511 0.219 5.473 1.00 15.00 C ATOM 409 O THR A 390 -0.384 0.854 4.918 1.00 15.00 O ATOM 410 CB THR A 390 0.036 -0.328 7.888 1.00 15.00 C ATOM 411 OG1 THR A 390 0.612 -0.289 9.199 1.00 15.00 O ATOM 412 CG2 THR A 390 -0.087 -1.773 7.422 1.00 15.00 C ATOM 0 H THR A 390 -0.024 2.387 6.654 1.00 15.00 H new ATOM 0 HA THR A 390 1.939 0.269 7.068 1.00 15.00 H new ATOM 0 HB THR A 390 -0.967 0.098 7.907 1.00 15.00 H new ATOM 0 HG1 THR A 390 1.342 0.364 9.216 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.695 -2.334 8.132 1.00 15.00 H new ATOM 0 HG22 THR A 390 -0.559 -1.800 6.440 1.00 15.00 H new ATOM 0 HG23 THR A 390 0.905 -2.221 7.360 1.00 15.00 H new ATOM 420 N THR A 391 1.213 -0.724 4.860 1.00 15.00 N ATOM 421 CA THR A 391 0.902 -1.149 3.505 1.00 15.00 C ATOM 422 C THR A 391 0.713 -2.668 3.456 1.00 15.00 C ATOM 423 O THR A 391 1.340 -3.403 4.220 1.00 15.00 O ATOM 424 CB THR A 391 1.998 -0.701 2.513 1.00 15.00 C ATOM 425 OG1 THR A 391 1.694 -1.164 1.192 1.00 15.00 O ATOM 426 CG2 THR A 391 3.368 -1.204 2.937 1.00 15.00 C ATOM 0 H THR A 391 2.004 -1.210 5.283 1.00 15.00 H new ATOM 0 HA THR A 391 -0.031 -0.672 3.204 1.00 15.00 H new ATOM 0 HB THR A 391 2.021 0.389 2.514 1.00 15.00 H new ATOM 0 HG1 THR A 391 0.722 -1.204 1.075 1.00 15.00 H new ATOM 0 HG21 THR A 391 4.116 -0.871 2.218 1.00 15.00 H new ATOM 0 HG22 THR A 391 3.612 -0.809 3.923 1.00 15.00 H new ATOM 0 HG23 THR A 391 3.360 -2.293 2.975 1.00 15.00 H new ATOM 434 N THR A 392 -0.164 -3.130 2.570 1.00 15.00 N ATOM 435 CA THR A 392 -0.542 -4.536 2.525 1.00 15.00 C ATOM 436 C THR A 392 -0.896 -4.975 1.100 1.00 15.00 C ATOM 437 O THR A 392 -1.337 -4.163 0.284 1.00 15.00 O ATOM 438 CB THR A 392 -1.732 -4.814 3.475 1.00 15.00 C ATOM 439 OG1 THR A 392 -2.098 -6.201 3.441 1.00 15.00 O ATOM 440 CG2 THR A 392 -2.937 -3.957 3.115 1.00 15.00 C ATOM 0 H THR A 392 -0.627 -2.548 1.872 1.00 15.00 H new ATOM 0 HA THR A 392 0.319 -5.117 2.857 1.00 15.00 H new ATOM 0 HB THR A 392 -1.411 -4.555 4.484 1.00 15.00 H new ATOM 0 HG1 THR A 392 -2.851 -6.356 4.049 1.00 15.00 H new ATOM 0 HG21 THR A 392 -3.756 -4.175 3.800 1.00 15.00 H new ATOM 0 HG22 THR A 392 -2.670 -2.903 3.192 1.00 15.00 H new ATOM 0 HG23 THR A 392 -3.249 -4.178 2.094 1.00 15.00 H new ATOM 448 N TRP A 393 -0.659 -6.254 0.800 1.00 15.00 N ATOM 449 CA TRP A 393 -1.005 -6.829 -0.503 1.00 15.00 C ATOM 450 C TRP A 393 -2.508 -7.110 -0.585 1.00 15.00 C ATOM 451 O TRP A 393 -3.038 -7.436 -1.646 1.00 15.00 O ATOM 452 CB TRP A 393 -0.254 -8.148 -0.733 1.00 15.00 C ATOM 453 CG TRP A 393 1.240 -8.058 -0.607 1.00 15.00 C ATOM 454 CD1 TRP A 393 2.017 -8.661 0.342 1.00 15.00 C ATOM 455 CD2 TRP A 393 2.140 -7.335 -1.457 1.00 15.00 C ATOM 456 NE1 TRP A 393 3.338 -8.353 0.136 1.00 15.00 N ATOM 457 CE2 TRP A 393 3.439 -7.537 -0.956 1.00 15.00 C ATOM 458 CE3 TRP A 393 1.972 -6.533 -2.588 1.00 15.00 C ATOM 459 CZ2 TRP A 393 4.564 -6.967 -1.543 1.00 15.00 C ATOM 460 CZ3 TRP A 393 3.092 -5.965 -3.173 1.00 15.00 C ATOM 461 CH2 TRP A 393 4.374 -6.183 -2.647 1.00 15.00 C ATOM 0 H TRP A 393 -0.226 -6.915 1.445 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.720 -6.105 -1.266 1.00 15.00 H new ATOM 0 HB2 TRP A 393 -0.620 -8.886 -0.019 1.00 15.00 H new ATOM 0 HB3 TRP A 393 -0.498 -8.519 -1.729 1.00 15.00 H new ATOM 0 HD1 TRP A 393 1.645 -9.289 1.138 1.00 15.00 H new ATOM 0 HE1 TRP A 393 4.118 -8.680 0.706 1.00 15.00 H new ATOM 0 HE3 TRP A 393 0.988 -6.359 -2.998 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 5.552 -7.138 -1.141 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 2.976 -5.344 -4.049 1.00 15.00 H new ATOM 0 HH2 TRP A 393 5.227 -5.723 -3.123 1.00 15.00 H new ATOM 472 N THR A 394 -3.174 -7.004 0.554 1.00 15.00 N ATOM 473 CA THR A 394 -4.576 -7.374 0.682 1.00 15.00 C ATOM 474 C THR A 394 -5.482 -6.144 0.629 1.00 15.00 C ATOM 475 O THR A 394 -5.069 -5.049 1.005 1.00 15.00 O ATOM 476 CB THR A 394 -4.806 -8.140 2.003 1.00 15.00 C ATOM 477 OG1 THR A 394 -3.849 -9.204 2.104 1.00 15.00 O ATOM 478 CG2 THR A 394 -6.211 -8.720 2.077 1.00 15.00 C ATOM 0 H THR A 394 -2.757 -6.658 1.418 1.00 15.00 H new ATOM 0 HA THR A 394 -4.830 -8.020 -0.159 1.00 15.00 H new ATOM 0 HB THR A 394 -4.686 -7.438 2.828 1.00 15.00 H new ATOM 0 HG1 THR A 394 -3.990 -9.692 2.942 1.00 15.00 H new ATOM 0 HG21 THR A 394 -6.336 -9.252 3.020 1.00 15.00 H new ATOM 0 HG22 THR A 394 -6.941 -7.913 2.016 1.00 15.00 H new ATOM 0 HG23 THR A 394 -6.363 -9.411 1.248 1.00 15.00 H new ATOM 486 N ARG A 395 -6.706 -6.323 0.138 1.00 15.00 N ATOM 487 CA ARG A 395 -7.680 -5.240 0.109 1.00 15.00 C ATOM 488 C ARG A 395 -8.124 -4.908 1.528 1.00 15.00 C ATOM 489 O ARG A 395 -8.711 -5.739 2.220 1.00 15.00 O ATOM 490 CB ARG A 395 -8.908 -5.631 -0.723 1.00 15.00 C ATOM 491 CG ARG A 395 -8.691 -5.574 -2.226 1.00 15.00 C ATOM 492 CD ARG A 395 -8.333 -4.168 -2.677 1.00 15.00 C ATOM 493 NE ARG A 395 -9.270 -3.163 -2.168 1.00 15.00 N ATOM 494 CZ ARG A 395 -9.263 -1.889 -2.554 1.00 15.00 C ATOM 495 NH1 ARG A 395 -8.516 -1.518 -3.582 1.00 15.00 N1+ ATOM 496 NH2 ARG A 395 -10.035 -0.994 -1.955 1.00 15.00 N ATOM 0 H ARG A 395 -7.044 -7.206 -0.244 1.00 15.00 H new ATOM 0 HA ARG A 395 -7.208 -4.370 -0.347 1.00 15.00 H new ATOM 0 HB2 ARG A 395 -9.210 -6.642 -0.450 1.00 15.00 H new ATOM 0 HB3 ARG A 395 -9.734 -4.970 -0.462 1.00 15.00 H new ATOM 0 HG2 ARG A 395 -7.894 -6.263 -2.507 1.00 15.00 H new ATOM 0 HG3 ARG A 395 -9.594 -5.904 -2.739 1.00 15.00 H new ATOM 0 HD2 ARG A 395 -7.326 -3.926 -2.338 1.00 15.00 H new ATOM 0 HD3 ARG A 395 -8.321 -4.131 -3.766 1.00 15.00 H new ATOM 0 HE ARG A 395 -9.965 -3.455 -1.481 1.00 15.00 H new ATOM 0 HH11 ARG A 395 -7.949 -2.207 -4.075 1.00 15.00 H new ATOM 0 HH12 ARG A 395 -8.508 -0.543 -3.881 1.00 15.00 H new ATOM 0 HH21 ARG A 395 -10.644 -1.278 -1.188 1.00 15.00 H new ATOM 0 HH22 ARG A 395 -10.020 -0.021 -2.261 1.00 15.00 H new ATOM 510 N PRO A 396 -7.822 -3.685 1.979 1.00 15.00 N ATOM 511 CA PRO A 396 -8.106 -3.249 3.345 1.00 15.00 C ATOM 512 C PRO A 396 -9.576 -2.922 3.573 1.00 15.00 C ATOM 513 O PRO A 396 -10.203 -2.219 2.780 1.00 15.00 O ATOM 514 CB PRO A 396 -7.260 -1.988 3.490 1.00 15.00 C ATOM 515 CG PRO A 396 -7.157 -1.441 2.111 1.00 15.00 C ATOM 516 CD PRO A 396 -7.165 -2.626 1.187 1.00 15.00 C ATOM 0 HA PRO A 396 -7.879 -4.030 4.070 1.00 15.00 H new ATOM 0 HB2 PRO A 396 -7.729 -1.272 4.166 1.00 15.00 H new ATOM 0 HB3 PRO A 396 -6.276 -2.216 3.900 1.00 15.00 H new ATOM 0 HG2 PRO A 396 -7.991 -0.773 1.894 1.00 15.00 H new ATOM 0 HG3 PRO A 396 -6.243 -0.860 1.990 1.00 15.00 H new ATOM 0 HD2 PRO A 396 -7.714 -2.414 0.269 1.00 15.00 H new ATOM 0 HD3 PRO A 396 -6.155 -2.913 0.895 1.00 15.00 H new ATOM 588 N GLU B 205 4.845 -12.895 -2.314 1.00 15.00 N ATOM 589 CA GLU B 205 5.699 -11.720 -2.262 1.00 15.00 C ATOM 590 C GLU B 205 6.023 -11.358 -0.822 1.00 15.00 C ATOM 591 O GLU B 205 5.141 -11.372 0.042 1.00 15.00 O ATOM 592 CB GLU B 205 5.008 -10.534 -2.939 1.00 15.00 C ATOM 593 CG GLU B 205 4.854 -10.683 -4.442 1.00 15.00 C ATOM 594 CD GLU B 205 6.186 -10.773 -5.153 1.00 15.00 C ATOM 595 OE1 GLU B 205 6.921 -9.761 -5.176 1.00 15.00 O1- ATOM 596 OE2 GLU B 205 6.506 -11.857 -5.684 1.00 15.00 O ATOM 0 HA GLU B 205 6.625 -11.950 -2.789 1.00 15.00 H new ATOM 0 HB2 GLU B 205 4.022 -10.400 -2.495 1.00 15.00 H new ATOM 0 HB3 GLU B 205 5.577 -9.628 -2.731 1.00 15.00 H new ATOM 0 HG2 GLU B 205 4.269 -11.577 -4.657 1.00 15.00 H new ATOM 0 HG3 GLU B 205 4.293 -9.834 -4.833 1.00 15.00 H new ATOM 603 N SER B 206 7.282 -11.028 -0.574 1.00 15.00 N ATOM 604 CA SER B 206 7.705 -10.519 0.720 1.00 15.00 C ATOM 605 C SER B 206 6.940 -9.237 1.049 1.00 15.00 C ATOM 606 O SER B 206 6.541 -8.507 0.140 1.00 15.00 O ATOM 607 CB SER B 206 9.211 -10.252 0.692 1.00 15.00 C ATOM 608 OG SER B 206 9.922 -11.429 0.346 1.00 15.00 O ATOM 0 H SER B 206 8.033 -11.105 -1.259 1.00 15.00 H new ATOM 0 HA SER B 206 7.490 -11.257 1.492 1.00 15.00 H new ATOM 0 HB2 SER B 206 9.432 -9.463 -0.027 1.00 15.00 H new ATOM 0 HB3 SER B 206 9.540 -9.896 1.668 1.00 15.00 H new ATOM 0 HG SER B 206 10.883 -11.238 0.332 1.00 15.00 H new ATOM 614 N PRO B 207 6.748 -8.940 2.347 1.00 15.00 N ATOM 615 CA PRO B 207 5.974 -7.772 2.797 1.00 15.00 C ATOM 616 C PRO B 207 6.394 -6.487 2.082 1.00 15.00 C ATOM 617 O PRO B 207 7.587 -6.265 1.862 1.00 15.00 O ATOM 618 CB PRO B 207 6.315 -7.686 4.283 1.00 15.00 C ATOM 619 CG PRO B 207 6.614 -9.085 4.675 1.00 15.00 C ATOM 620 CD PRO B 207 7.270 -9.721 3.485 1.00 15.00 C ATOM 0 HA PRO B 207 4.909 -7.879 2.589 1.00 15.00 H new ATOM 0 HB2 PRO B 207 7.170 -7.033 4.457 1.00 15.00 H new ATOM 0 HB3 PRO B 207 5.483 -7.281 4.859 1.00 15.00 H new ATOM 0 HG2 PRO B 207 7.271 -9.114 5.544 1.00 15.00 H new ATOM 0 HG3 PRO B 207 5.702 -9.616 4.947 1.00 15.00 H new ATOM 0 HD2 PRO B 207 8.357 -9.663 3.547 1.00 15.00 H new ATOM 0 HD3 PRO B 207 7.011 -10.776 3.400 1.00 15.00 H new ATOM 628 N PRO B 208 5.422 -5.630 1.706 1.00 15.00 N ATOM 629 CA PRO B 208 5.688 -4.402 0.943 1.00 15.00 C ATOM 630 C PRO B 208 6.777 -3.533 1.551 1.00 15.00 C ATOM 631 O PRO B 208 6.987 -3.527 2.767 1.00 15.00 O ATOM 632 CB PRO B 208 4.353 -3.667 0.986 1.00 15.00 C ATOM 633 CG PRO B 208 3.356 -4.750 1.089 1.00 15.00 C ATOM 634 CD PRO B 208 3.980 -5.777 1.987 1.00 15.00 C ATOM 0 HA PRO B 208 6.048 -4.633 -0.060 1.00 15.00 H new ATOM 0 HB2 PRO B 208 4.297 -2.990 1.838 1.00 15.00 H new ATOM 0 HB3 PRO B 208 4.199 -3.066 0.090 1.00 15.00 H new ATOM 0 HG2 PRO B 208 2.417 -4.383 1.504 1.00 15.00 H new ATOM 0 HG3 PRO B 208 3.129 -5.170 0.109 1.00 15.00 H new ATOM 0 HD2 PRO B 208 3.752 -5.588 3.036 1.00 15.00 H new ATOM 0 HD3 PRO B 208 3.625 -6.782 1.759 1.00 15.00 H new ATOM 642 N PRO B 209 7.463 -2.776 0.688 1.00 15.00 N ATOM 643 CA PRO B 209 8.530 -1.855 1.092 1.00 15.00 C ATOM 644 C PRO B 209 8.080 -0.933 2.227 1.00 15.00 C ATOM 645 O PRO B 209 6.993 -0.353 2.163 1.00 15.00 O ATOM 646 CB PRO B 209 8.785 -1.064 -0.193 1.00 15.00 C ATOM 647 CG PRO B 209 8.428 -2.013 -1.278 1.00 15.00 C ATOM 648 CD PRO B 209 7.234 -2.750 -0.769 1.00 15.00 C ATOM 0 HA PRO B 209 9.414 -2.363 1.478 1.00 15.00 H new ATOM 0 HB2 PRO B 209 8.174 -0.163 -0.234 1.00 15.00 H new ATOM 0 HB3 PRO B 209 9.825 -0.747 -0.267 1.00 15.00 H new ATOM 0 HG2 PRO B 209 8.201 -1.486 -2.205 1.00 15.00 H new ATOM 0 HG3 PRO B 209 9.251 -2.695 -1.493 1.00 15.00 H new ATOM 0 HD2 PRO B 209 6.305 -2.240 -1.023 1.00 15.00 H new ATOM 0 HD3 PRO B 209 7.171 -3.755 -1.187 1.00 15.00 H new ATOM 656 N PRO B 210 8.922 -0.784 3.270 1.00 15.00 N ATOM 657 CA PRO B 210 8.579 -0.036 4.487 1.00 15.00 C ATOM 658 C PRO B 210 7.992 1.343 4.196 1.00 15.00 C ATOM 659 O PRO B 210 8.632 2.194 3.573 1.00 15.00 O ATOM 660 CB PRO B 210 9.918 0.096 5.233 1.00 15.00 C ATOM 661 CG PRO B 210 10.963 -0.368 4.273 1.00 15.00 C ATOM 662 CD PRO B 210 10.281 -1.329 3.346 1.00 15.00 C ATOM 0 HA PRO B 210 7.808 -0.551 5.060 1.00 15.00 H new ATOM 0 HB2 PRO B 210 10.096 1.127 5.538 1.00 15.00 H new ATOM 0 HB3 PRO B 210 9.923 -0.509 6.139 1.00 15.00 H new ATOM 0 HG2 PRO B 210 11.385 0.472 3.721 1.00 15.00 H new ATOM 0 HG3 PRO B 210 11.787 -0.851 4.798 1.00 15.00 H new ATOM 0 HD2 PRO B 210 10.761 -1.360 2.368 1.00 15.00 H new ATOM 0 HD3 PRO B 210 10.289 -2.346 3.738 1.00 15.00 H new ATOM 670 N TYR B 211 6.768 1.552 4.658 1.00 15.00 N ATOM 671 CA TYR B 211 6.056 2.788 4.396 1.00 15.00 C ATOM 672 C TYR B 211 6.364 3.820 5.469 1.00 15.00 C ATOM 673 O TYR B 211 6.020 3.636 6.636 1.00 15.00 O ATOM 674 CB TYR B 211 4.548 2.532 4.335 1.00 15.00 C ATOM 675 CG TYR B 211 3.758 3.723 3.846 1.00 15.00 C ATOM 676 CD1 TYR B 211 3.661 3.991 2.489 1.00 15.00 C ATOM 677 CD2 TYR B 211 3.114 4.580 4.734 1.00 15.00 C ATOM 678 CE1 TYR B 211 2.948 5.074 2.028 1.00 15.00 C ATOM 679 CE2 TYR B 211 2.396 5.668 4.275 1.00 15.00 C ATOM 680 CZ TYR B 211 2.317 5.906 2.922 1.00 15.00 C ATOM 681 OH TYR B 211 1.612 6.985 2.462 1.00 15.00 O ATOM 0 H TYR B 211 6.248 0.877 5.218 1.00 15.00 H new ATOM 0 HA TYR B 211 6.388 3.176 3.433 1.00 15.00 H new ATOM 0 HB2 TYR B 211 4.357 1.684 3.678 1.00 15.00 H new ATOM 0 HB3 TYR B 211 4.194 2.253 5.327 1.00 15.00 H new ATOM 0 HD1 TYR B 211 4.153 3.339 1.782 1.00 15.00 H new ATOM 0 HD2 TYR B 211 3.176 4.392 5.796 1.00 15.00 H new ATOM 0 HE1 TYR B 211 2.884 5.270 0.968 1.00 15.00 H new ATOM 0 HE2 TYR B 211 1.901 6.327 4.973 1.00 15.00 H new ATOM 0 HH TYR B 211 2.131 7.803 2.611 1.00 15.00 H new ATOM 691 N SER B 212 7.029 4.891 5.074 1.00 15.00 N ATOM 692 CA SER B 212 7.325 5.974 5.990 1.00 15.00 C ATOM 693 C SER B 212 6.302 7.098 5.833 1.00 15.00 C ATOM 694 O SER B 212 5.413 7.259 6.667 1.00 15.00 O ATOM 695 CB SER B 212 8.740 6.495 5.740 1.00 15.00 C ATOM 696 OG SER B 212 9.690 5.444 5.839 1.00 15.00 O ATOM 0 H SER B 212 7.374 5.033 4.124 1.00 15.00 H new ATOM 0 HA SER B 212 7.266 5.600 7.012 1.00 15.00 H new ATOM 0 HB2 SER B 212 8.795 6.949 4.751 1.00 15.00 H new ATOM 0 HB3 SER B 212 8.978 7.275 6.463 1.00 15.00 H new ATOM 0 HG SER B 212 10.589 5.799 5.674 1.00 15.00 H new ATOM 702 N ARG B 213 6.405 7.845 4.740 1.00 15.00 N ATOM 703 CA ARG B 213 5.505 8.965 4.495 1.00 15.00 C ATOM 704 C ARG B 213 4.728 8.761 3.200 1.00 15.00 C ATOM 705 O ARG B 213 3.495 8.799 3.187 1.00 15.00 O ATOM 706 CB ARG B 213 6.291 10.277 4.437 1.00 15.00 C ATOM 707 CG ARG B 213 6.935 10.655 5.760 1.00 15.00 C ATOM 708 CD ARG B 213 7.759 11.926 5.638 1.00 15.00 C ATOM 709 NE ARG B 213 8.938 11.744 4.790 1.00 15.00 N ATOM 710 CZ ARG B 213 9.703 12.743 4.354 1.00 15.00 C ATOM 711 NH1 ARG B 213 9.398 14.004 4.648 1.00 15.00 N1+ ATOM 712 NH2 ARG B 213 10.775 12.482 3.617 1.00 15.00 N ATOM 0 H ARG B 213 7.102 7.696 4.010 1.00 15.00 H new ATOM 0 HA ARG B 213 4.794 9.017 5.319 1.00 15.00 H new ATOM 0 HB2 ARG B 213 7.066 10.194 3.675 1.00 15.00 H new ATOM 0 HB3 ARG B 213 5.622 11.079 4.125 1.00 15.00 H new ATOM 0 HG2 ARG B 213 6.162 10.793 6.515 1.00 15.00 H new ATOM 0 HG3 ARG B 213 7.572 9.839 6.102 1.00 15.00 H new ATOM 0 HD2 ARG B 213 7.137 12.721 5.227 1.00 15.00 H new ATOM 0 HD3 ARG B 213 8.074 12.249 6.630 1.00 15.00 H new ATOM 0 HE ARG B 213 9.189 10.794 4.516 1.00 15.00 H new ATOM 0 HH11 ARG B 213 8.573 14.211 5.211 1.00 15.00 H new ATOM 0 HH12 ARG B 213 9.989 14.764 4.310 1.00 15.00 H new ATOM 0 HH21 ARG B 213 11.012 11.517 3.385 1.00 15.00 H new ATOM 0 HH22 ARG B 213 11.362 13.246 3.282 1.00 15.00 H new ATOM 726 N TYR B 214 5.457 8.567 2.109 1.00 15.00 N ATOM 727 CA TYR B 214 4.851 8.305 0.812 1.00 15.00 C ATOM 728 C TYR B 214 5.308 6.951 0.271 1.00 15.00 C ATOM 729 O TYR B 214 6.305 6.402 0.748 1.00 15.00 O ATOM 730 CB TYR B 214 5.185 9.439 -0.162 1.00 15.00 C ATOM 731 CG TYR B 214 4.337 10.670 0.064 1.00 15.00 C ATOM 732 CD1 TYR B 214 3.041 10.735 -0.432 1.00 15.00 C ATOM 733 CD2 TYR B 214 4.820 11.756 0.782 1.00 15.00 C ATOM 734 CE1 TYR B 214 2.250 11.846 -0.220 1.00 15.00 C ATOM 735 CE2 TYR B 214 4.035 12.873 0.996 1.00 15.00 C ATOM 736 CZ TYR B 214 2.750 12.911 0.492 1.00 15.00 C ATOM 737 OH TYR B 214 1.958 14.018 0.707 1.00 15.00 O ATOM 0 H TYR B 214 6.477 8.587 2.098 1.00 15.00 H new ATOM 0 HA TYR B 214 3.768 8.265 0.927 1.00 15.00 H new ATOM 0 HB2 TYR B 214 6.237 9.704 -0.058 1.00 15.00 H new ATOM 0 HB3 TYR B 214 5.044 9.088 -1.184 1.00 15.00 H new ATOM 0 HD1 TYR B 214 2.645 9.901 -0.993 1.00 15.00 H new ATOM 0 HD2 TYR B 214 5.824 11.727 1.179 1.00 15.00 H new ATOM 0 HE1 TYR B 214 1.244 11.879 -0.611 1.00 15.00 H new ATOM 0 HE2 TYR B 214 4.424 13.712 1.554 1.00 15.00 H new ATOM 0 HH TYR B 214 2.457 14.682 1.227 1.00 15.00 H new ATOM 747 N PRO B 215 4.593 6.392 -0.728 1.00 15.00 N ATOM 748 CA PRO B 215 4.905 5.069 -1.286 1.00 15.00 C ATOM 749 C PRO B 215 6.204 5.060 -2.086 1.00 15.00 C ATOM 750 O PRO B 215 6.461 5.960 -2.885 1.00 15.00 O ATOM 751 CB PRO B 215 3.722 4.765 -2.217 1.00 15.00 C ATOM 752 CG PRO B 215 2.687 5.796 -1.919 1.00 15.00 C ATOM 753 CD PRO B 215 3.422 6.990 -1.391 1.00 15.00 C ATOM 0 HA PRO B 215 5.043 4.334 -0.493 1.00 15.00 H new ATOM 0 HB2 PRO B 215 4.027 4.810 -3.262 1.00 15.00 H new ATOM 0 HB3 PRO B 215 3.335 3.761 -2.041 1.00 15.00 H new ATOM 0 HG2 PRO B 215 2.124 6.052 -2.816 1.00 15.00 H new ATOM 0 HG3 PRO B 215 1.969 5.426 -1.187 1.00 15.00 H new ATOM 0 HD2 PRO B 215 3.715 7.670 -2.191 1.00 15.00 H new ATOM 0 HD3 PRO B 215 2.812 7.563 -0.693 1.00 15.00 H new ATOM 761 N MET B 216 7.009 4.028 -1.876 1.00 15.00 N ATOM 762 CA MET B 216 8.272 3.878 -2.583 1.00 15.00 C ATOM 763 C MET B 216 8.597 2.398 -2.797 1.00 15.00 C ATOM 764 O MET B 216 8.846 1.665 -1.841 1.00 15.00 O ATOM 765 CB MET B 216 9.404 4.573 -1.812 1.00 15.00 C ATOM 766 CG MET B 216 9.527 4.136 -0.358 1.00 15.00 C ATOM 767 SD MET B 216 10.842 4.997 0.527 1.00 15.00 S ATOM 768 CE MET B 216 10.258 6.689 0.431 1.00 15.00 C ATOM 0 H MET B 216 6.807 3.277 -1.216 1.00 15.00 H new ATOM 0 HA MET B 216 8.178 4.352 -3.560 1.00 15.00 H new ATOM 0 HB2 MET B 216 10.348 4.377 -2.320 1.00 15.00 H new ATOM 0 HB3 MET B 216 9.242 5.650 -1.844 1.00 15.00 H new ATOM 0 HG2 MET B 216 8.579 4.312 0.150 1.00 15.00 H new ATOM 0 HG3 MET B 216 9.714 3.063 -0.321 1.00 15.00 H new ATOM 0 HE1 MET B 216 10.728 7.281 1.217 1.00 15.00 H new ATOM 0 HE2 MET B 216 10.515 7.108 -0.542 1.00 15.00 H new ATOM 0 HE3 MET B 216 9.176 6.708 0.560 1.00 15.00 H new ATOM 778 N ASP B 217 8.571 1.958 -4.049 1.00 15.00 N ATOM 779 CA ASP B 217 8.883 0.570 -4.383 1.00 15.00 C ATOM 780 C ASP B 217 10.142 0.511 -5.235 1.00 15.00 C ATOM 781 O ASP B 217 11.145 -0.073 -4.780 1.00 15.00 O ATOM 782 CB ASP B 217 7.710 -0.085 -5.123 1.00 15.00 C ATOM 783 CG ASP B 217 8.024 -1.490 -5.612 1.00 15.00 C ATOM 784 OD1 ASP B 217 8.516 -1.630 -6.753 1.00 15.00 O1- ATOM 785 OD2 ASP B 217 7.758 -2.466 -4.877 1.00 15.00 O ATOM 786 OXT ASP B 217 10.138 1.094 -6.338 1.00 15.00 O ATOM 0 H ASP B 217 8.337 2.542 -4.852 1.00 15.00 H new ATOM 0 HA ASP B 217 9.054 0.020 -3.458 1.00 15.00 H new ATOM 0 HB2 ASP B 217 6.845 -0.122 -4.460 1.00 15.00 H new ATOM 0 HB3 ASP B 217 7.433 0.536 -5.975 1.00 15.00 H new