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 -131:sc= 1.01 USER MOD Set 1.2: A 394 THR OG1 : rot 180:sc= 0.785 USER MOD Set 2.1: A 386 HIS : no HD1:sc= 0.414 K(o=0.16,f=-5.5!) USER MOD Set 2.2: B 211 TYR OH : rot 130:sc= -0.255 USER MOD Set 3.1: A 385 ASN : amide:sc= -2.57! C(o=-2.4!,f=-5.6!) USER MOD Set 3.2: A 388 ASN : amide:sc= 0.182 K(o=-2.4,f=-10!) USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0591) USER MOD Single : A 378 LYS NZ :NH3+ -160:sc= 2.06 (180deg=0.438) USER MOD Single : A 381 THR OG1 : rot 47:sc= 0.298 USER MOD Single : A 382 TYR OH : rot -160:sc= 1.28 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 387 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 46:sc= 0.337 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= -0.113 (180deg=-0.684) USER MOD ----------------------------------------------------------------- ATOM 24 N LEU A 367 -13.120 2.233 -0.150 1.00 15.00 N ATOM 25 CA LEU A 367 -11.884 2.992 -0.177 1.00 15.00 C ATOM 26 C LEU A 367 -11.880 3.950 1.015 1.00 15.00 C ATOM 27 O LEU A 367 -12.678 4.887 1.057 1.00 15.00 O ATOM 28 CB LEU A 367 -11.764 3.770 -1.497 1.00 15.00 C ATOM 29 CG LEU A 367 -10.346 4.210 -1.900 1.00 15.00 C ATOM 30 CD1 LEU A 367 -10.349 4.745 -3.321 1.00 15.00 C ATOM 31 CD2 LEU A 367 -9.797 5.269 -0.953 1.00 15.00 C ATOM 0 HA LEU A 367 -11.030 2.318 -0.110 1.00 15.00 H new ATOM 0 HB2 LEU A 367 -12.171 3.152 -2.297 1.00 15.00 H new ATOM 0 HB3 LEU A 367 -12.392 4.658 -1.429 1.00 15.00 H new ATOM 0 HG LEU A 367 -9.699 3.335 -1.840 1.00 15.00 H new ATOM 0 HD11 LEU A 367 -9.340 5.054 -3.596 1.00 15.00 H new ATOM 0 HD12 LEU A 367 -10.688 3.965 -4.003 1.00 15.00 H new ATOM 0 HD13 LEU A 367 -11.021 5.601 -3.386 1.00 15.00 H new ATOM 0 HD21 LEU A 367 -8.794 5.555 -1.269 1.00 15.00 H new ATOM 0 HD22 LEU A 367 -10.446 6.144 -0.970 1.00 15.00 H new ATOM 0 HD23 LEU A 367 -9.757 4.867 0.059 1.00 15.00 H new ATOM 43 N PRO A 368 -11.017 3.719 2.018 1.00 15.00 N ATOM 44 CA PRO A 368 -10.925 4.596 3.174 1.00 15.00 C ATOM 45 C PRO A 368 -9.917 5.717 2.953 1.00 15.00 C ATOM 46 O PRO A 368 -8.830 5.498 2.417 1.00 15.00 O ATOM 47 CB PRO A 368 -10.450 3.663 4.293 1.00 15.00 C ATOM 48 CG PRO A 368 -9.882 2.445 3.627 1.00 15.00 C ATOM 49 CD PRO A 368 -10.105 2.573 2.140 1.00 15.00 C ATOM 0 HA PRO A 368 -11.871 5.092 3.393 1.00 15.00 H new ATOM 0 HB2 PRO A 368 -9.697 4.152 4.911 1.00 15.00 H new ATOM 0 HB3 PRO A 368 -11.277 3.394 4.950 1.00 15.00 H new ATOM 0 HG2 PRO A 368 -8.818 2.354 3.845 1.00 15.00 H new ATOM 0 HG3 PRO A 368 -10.364 1.544 4.007 1.00 15.00 H new ATOM 0 HD2 PRO A 368 -9.169 2.748 1.609 1.00 15.00 H new ATOM 0 HD3 PRO A 368 -10.544 1.667 1.722 1.00 15.00 H new ATOM 57 N SER A 369 -10.278 6.910 3.398 1.00 15.00 N ATOM 58 CA SER A 369 -9.466 8.088 3.164 1.00 15.00 C ATOM 59 C SER A 369 -8.180 8.019 3.976 1.00 15.00 C ATOM 60 O SER A 369 -8.200 7.922 5.206 1.00 15.00 O ATOM 61 CB SER A 369 -10.265 9.334 3.528 1.00 15.00 C ATOM 62 OG SER A 369 -11.535 9.319 2.895 1.00 15.00 O ATOM 0 H SER A 369 -11.133 7.086 3.926 1.00 15.00 H new ATOM 0 HA SER A 369 -9.195 8.134 2.109 1.00 15.00 H new ATOM 0 HB2 SER A 369 -10.393 9.387 4.609 1.00 15.00 H new ATOM 0 HB3 SER A 369 -9.714 10.226 3.228 1.00 15.00 H new ATOM 0 HG SER A 369 -12.033 10.126 3.142 1.00 15.00 H new ATOM 68 N GLY A 370 -7.065 8.070 3.269 1.00 15.00 N ATOM 69 CA GLY A 370 -5.776 7.852 3.883 1.00 15.00 C ATOM 70 C GLY A 370 -5.057 6.702 3.221 1.00 15.00 C ATOM 71 O GLY A 370 -3.831 6.610 3.265 1.00 15.00 O ATOM 0 H GLY A 370 -7.031 8.261 2.268 1.00 15.00 H new ATOM 0 HA2 GLY A 370 -5.173 8.757 3.806 1.00 15.00 H new ATOM 0 HA3 GLY A 370 -5.904 7.644 4.945 1.00 15.00 H new ATOM 75 N TRP A 371 -5.835 5.823 2.603 1.00 15.00 N ATOM 76 CA TRP A 371 -5.295 4.710 1.839 1.00 15.00 C ATOM 77 C TRP A 371 -5.138 5.108 0.379 1.00 15.00 C ATOM 78 O TRP A 371 -6.101 5.527 -0.262 1.00 15.00 O ATOM 79 CB TRP A 371 -6.223 3.495 1.917 1.00 15.00 C ATOM 80 CG TRP A 371 -6.233 2.793 3.239 1.00 15.00 C ATOM 81 CD1 TRP A 371 -6.749 3.251 4.418 1.00 15.00 C ATOM 82 CD2 TRP A 371 -5.720 1.484 3.508 1.00 15.00 C ATOM 83 NE1 TRP A 371 -6.591 2.302 5.400 1.00 15.00 N ATOM 84 CE2 TRP A 371 -5.959 1.211 4.866 1.00 15.00 C ATOM 85 CE3 TRP A 371 -5.080 0.515 2.728 1.00 15.00 C ATOM 86 CZ2 TRP A 371 -5.583 0.010 5.463 1.00 15.00 C ATOM 87 CZ3 TRP A 371 -4.706 -0.675 3.322 1.00 15.00 C ATOM 88 CH2 TRP A 371 -4.958 -0.919 4.676 1.00 15.00 C ATOM 0 H TRP A 371 -6.854 5.862 2.618 1.00 15.00 H new ATOM 0 HA TRP A 371 -4.325 4.451 2.264 1.00 15.00 H new ATOM 0 HB2 TRP A 371 -7.238 3.816 1.685 1.00 15.00 H new ATOM 0 HB3 TRP A 371 -5.930 2.782 1.146 1.00 15.00 H new ATOM 0 HD1 TRP A 371 -7.213 4.216 4.558 1.00 15.00 H new ATOM 0 HE1 TRP A 371 -6.895 2.395 6.369 1.00 15.00 H new ATOM 0 HE3 TRP A 371 -4.882 0.694 1.681 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 -5.777 -0.181 6.508 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 -4.210 -1.430 2.730 1.00 15.00 H new ATOM 0 HH2 TRP A 371 -4.653 -1.860 5.109 1.00 15.00 H new ATOM 99 N GLU A 372 -3.934 4.985 -0.149 1.00 15.00 N ATOM 100 CA GLU A 372 -3.727 5.207 -1.565 1.00 15.00 C ATOM 101 C GLU A 372 -3.342 3.901 -2.242 1.00 15.00 C ATOM 102 O GLU A 372 -2.280 3.332 -1.981 1.00 15.00 O ATOM 103 CB GLU A 372 -2.690 6.303 -1.828 1.00 15.00 C ATOM 104 CG GLU A 372 -3.040 7.636 -1.192 1.00 15.00 C ATOM 105 CD GLU A 372 -2.087 8.737 -1.599 1.00 15.00 C ATOM 106 OE1 GLU A 372 -2.303 9.345 -2.668 1.00 15.00 O ATOM 107 OE2 GLU A 372 -1.120 8.996 -0.859 1.00 15.00 O1- ATOM 0 H GLU A 372 -3.095 4.736 0.375 1.00 15.00 H new ATOM 0 HA GLU A 372 -4.664 5.560 -1.995 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.722 5.973 -1.451 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -2.584 6.440 -2.904 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -4.055 7.915 -1.475 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -3.029 7.532 -0.107 1.00 15.00 H new ATOM 114 N GLU A 373 -4.233 3.426 -3.093 1.00 15.00 N ATOM 115 CA GLU A 373 -4.083 2.135 -3.747 1.00 15.00 C ATOM 116 C GLU A 373 -3.373 2.332 -5.059 1.00 15.00 C ATOM 117 O GLU A 373 -3.926 2.906 -5.997 1.00 15.00 O ATOM 118 CB GLU A 373 -5.455 1.540 -3.984 1.00 15.00 C ATOM 119 CG GLU A 373 -6.427 1.995 -2.930 1.00 15.00 C ATOM 120 CD GLU A 373 -7.866 1.651 -3.256 1.00 15.00 C ATOM 121 OE1 GLU A 373 -8.155 1.313 -4.426 1.00 15.00 O ATOM 122 OE2 GLU A 373 -8.710 1.676 -2.341 1.00 15.00 O1- ATOM 0 H GLU A 373 -5.084 3.925 -3.352 1.00 15.00 H new ATOM 0 HA GLU A 373 -3.502 1.458 -3.121 1.00 15.00 H new ATOM 0 HB2 GLU A 373 -5.817 1.833 -4.969 1.00 15.00 H new ATOM 0 HB3 GLU A 373 -5.390 0.452 -3.979 1.00 15.00 H new ATOM 0 HG2 GLU A 373 -6.159 1.540 -1.977 1.00 15.00 H new ATOM 0 HG3 GLU A 373 -6.338 3.074 -2.804 1.00 15.00 H new ATOM 129 N ARG A 374 -2.145 1.888 -5.122 1.00 15.00 N ATOM 130 CA ARG A 374 -1.290 2.275 -6.211 1.00 15.00 C ATOM 131 C ARG A 374 -0.638 1.071 -6.871 1.00 15.00 C ATOM 132 O ARG A 374 0.070 0.292 -6.232 1.00 15.00 O ATOM 133 CB ARG A 374 -0.262 3.262 -5.684 1.00 15.00 C ATOM 134 CG ARG A 374 -0.901 4.529 -5.119 1.00 15.00 C ATOM 135 CD ARG A 374 0.130 5.366 -4.383 1.00 15.00 C ATOM 136 NE ARG A 374 -0.331 6.728 -4.117 1.00 15.00 N ATOM 137 CZ ARG A 374 0.370 7.819 -4.433 1.00 15.00 C ATOM 138 NH1 ARG A 374 1.514 7.703 -5.095 1.00 15.00 N1+ ATOM 139 NH2 ARG A 374 -0.079 9.023 -4.104 1.00 15.00 N ATOM 0 H ARG A 374 -1.718 1.263 -4.438 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.884 2.754 -6.990 1.00 15.00 H new ATOM 0 HB2 ARG A 374 0.333 2.782 -4.907 1.00 15.00 H new ATOM 0 HB3 ARG A 374 0.423 3.532 -6.488 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -1.341 5.113 -5.928 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -1.712 4.262 -4.441 1.00 15.00 H new ATOM 0 HD2 ARG A 374 0.379 4.881 -3.439 1.00 15.00 H new ATOM 0 HD3 ARG A 374 1.046 5.406 -4.972 1.00 15.00 H new ATOM 0 HE ARG A 374 -1.237 6.851 -3.666 1.00 15.00 H new ATOM 0 HH11 ARG A 374 1.857 6.780 -5.362 1.00 15.00 H new ATOM 0 HH12 ARG A 374 2.050 8.536 -5.337 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -0.964 9.119 -3.607 1.00 15.00 H new ATOM 0 HH22 ARG A 374 0.461 9.853 -4.348 1.00 15.00 H new ATOM 153 N LYS A 375 -0.915 0.930 -8.155 1.00 15.00 N ATOM 154 CA LYS A 375 -0.377 -0.153 -8.955 1.00 15.00 C ATOM 155 C LYS A 375 0.830 0.354 -9.732 1.00 15.00 C ATOM 156 O LYS A 375 0.705 1.237 -10.581 1.00 15.00 O ATOM 157 CB LYS A 375 -1.443 -0.696 -9.926 1.00 15.00 C ATOM 158 CG LYS A 375 -2.582 -1.472 -9.261 1.00 15.00 C ATOM 159 CD LYS A 375 -3.470 -0.592 -8.386 1.00 15.00 C ATOM 160 CE LYS A 375 -4.220 0.459 -9.197 1.00 15.00 C ATOM 161 NZ LYS A 375 -5.236 -0.144 -10.099 1.00 15.00 N1+ ATOM 0 H LYS A 375 -1.521 1.566 -8.673 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.075 -0.967 -8.296 1.00 15.00 H new ATOM 0 HB2 LYS A 375 -1.868 0.140 -10.481 1.00 15.00 H new ATOM 0 HB3 LYS A 375 -0.955 -1.346 -10.652 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -3.192 -1.943 -10.032 1.00 15.00 H new ATOM 0 HG3 LYS A 375 -2.162 -2.274 -8.653 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -4.187 -1.218 -7.854 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -2.858 -0.097 -7.632 1.00 15.00 H new ATOM 0 HE2 LYS A 375 -4.709 1.158 -8.518 1.00 15.00 H new ATOM 0 HE3 LYS A 375 -3.508 1.035 -9.789 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 -5.800 0.610 -10.540 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 -4.759 -0.697 -10.839 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -5.862 -0.767 -9.550 1.00 15.00 H new ATOM 175 N ASP A 376 1.997 -0.179 -9.411 1.00 15.00 N ATOM 176 CA ASP A 376 3.237 0.277 -10.029 1.00 15.00 C ATOM 177 C ASP A 376 3.557 -0.541 -11.275 1.00 15.00 C ATOM 178 O ASP A 376 3.234 -1.724 -11.342 1.00 15.00 O ATOM 179 CB ASP A 376 4.386 0.202 -9.030 1.00 15.00 C ATOM 180 CG ASP A 376 5.215 1.465 -9.052 1.00 15.00 C ATOM 181 OD1 ASP A 376 5.970 1.668 -10.021 1.00 15.00 O1- ATOM 182 OD2 ASP A 376 5.086 2.278 -8.115 1.00 15.00 O ATOM 0 H ASP A 376 2.115 -0.927 -8.727 1.00 15.00 H new ATOM 0 HA ASP A 376 3.106 1.316 -10.332 1.00 15.00 H new ATOM 0 HB2 ASP A 376 3.989 0.042 -8.027 1.00 15.00 H new ATOM 0 HB3 ASP A 376 5.018 -0.655 -9.263 1.00 15.00 H new ATOM 187 N ALA A 377 4.236 0.092 -12.233 1.00 15.00 N ATOM 188 CA ALA A 377 4.459 -0.481 -13.567 1.00 15.00 C ATOM 189 C ALA A 377 5.232 -1.805 -13.541 1.00 15.00 C ATOM 190 O ALA A 377 5.157 -2.585 -14.488 1.00 15.00 O ATOM 191 CB ALA A 377 5.189 0.522 -14.446 1.00 15.00 C ATOM 0 H ALA A 377 4.648 1.017 -12.109 1.00 15.00 H new ATOM 0 HA ALA A 377 3.474 -0.702 -13.978 1.00 15.00 H new ATOM 0 HB1 ALA A 377 5.351 0.090 -15.434 1.00 15.00 H new ATOM 0 HB2 ALA A 377 4.590 1.428 -14.540 1.00 15.00 H new ATOM 0 HB3 ALA A 377 6.151 0.768 -13.996 1.00 15.00 H new ATOM 197 N LYS A 378 5.970 -2.062 -12.463 1.00 15.00 N ATOM 198 CA LYS A 378 6.688 -3.333 -12.317 1.00 15.00 C ATOM 199 C LYS A 378 5.697 -4.463 -12.071 1.00 15.00 C ATOM 200 O LYS A 378 6.032 -5.643 -12.160 1.00 15.00 O ATOM 201 CB LYS A 378 7.691 -3.316 -11.157 1.00 15.00 C ATOM 202 CG LYS A 378 8.516 -2.052 -11.033 1.00 15.00 C ATOM 203 CD LYS A 378 7.755 -0.975 -10.284 1.00 15.00 C ATOM 204 CE LYS A 378 8.693 0.076 -9.710 1.00 15.00 C ATOM 205 NZ LYS A 378 9.775 -0.525 -8.887 1.00 15.00 N1+ ATOM 0 H LYS A 378 6.088 -1.416 -11.683 1.00 15.00 H new ATOM 0 HA LYS A 378 7.239 -3.487 -13.245 1.00 15.00 H new ATOM 0 HB2 LYS A 378 7.146 -3.467 -10.225 1.00 15.00 H new ATOM 0 HB3 LYS A 378 8.368 -4.162 -11.272 1.00 15.00 H new ATOM 0 HG2 LYS A 378 9.448 -2.272 -10.512 1.00 15.00 H new ATOM 0 HG3 LYS A 378 8.783 -1.689 -12.026 1.00 15.00 H new ATOM 0 HD2 LYS A 378 7.041 -0.499 -10.956 1.00 15.00 H new ATOM 0 HD3 LYS A 378 7.179 -1.429 -9.478 1.00 15.00 H new ATOM 0 HE2 LYS A 378 9.135 0.650 -10.525 1.00 15.00 H new ATOM 0 HE3 LYS A 378 8.122 0.776 -9.100 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 10.173 0.199 -8.255 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 9.387 -1.305 -8.319 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 10.523 -0.890 -9.510 1.00 15.00 H new ATOM 219 N GLY A 379 4.479 -4.074 -11.740 1.00 15.00 N ATOM 220 CA GLY A 379 3.488 -5.012 -11.285 1.00 15.00 C ATOM 221 C GLY A 379 3.532 -5.149 -9.784 1.00 15.00 C ATOM 222 O GLY A 379 3.525 -6.254 -9.239 1.00 15.00 O ATOM 0 H GLY A 379 4.158 -3.107 -11.781 1.00 15.00 H new ATOM 0 HA2 GLY A 379 2.497 -4.681 -11.596 1.00 15.00 H new ATOM 0 HA3 GLY A 379 3.660 -5.983 -11.749 1.00 15.00 H new ATOM 226 N ARG A 380 3.599 -4.006 -9.121 1.00 15.00 N ATOM 227 CA ARG A 380 3.625 -3.948 -7.671 1.00 15.00 C ATOM 228 C ARG A 380 2.328 -3.330 -7.172 1.00 15.00 C ATOM 229 O ARG A 380 2.094 -2.135 -7.353 1.00 15.00 O ATOM 230 CB ARG A 380 4.823 -3.117 -7.193 1.00 15.00 C ATOM 231 CG ARG A 380 6.131 -3.485 -7.878 1.00 15.00 C ATOM 232 CD ARG A 380 6.613 -4.870 -7.477 1.00 15.00 C ATOM 233 NE ARG A 380 7.207 -4.887 -6.141 1.00 15.00 N ATOM 234 CZ ARG A 380 7.418 -5.997 -5.435 1.00 15.00 C ATOM 235 NH1 ARG A 380 7.045 -7.177 -5.921 1.00 15.00 N1+ ATOM 236 NH2 ARG A 380 8.004 -5.923 -4.247 1.00 15.00 N ATOM 0 H ARG A 380 3.637 -3.093 -9.574 1.00 15.00 H new ATOM 0 HA ARG A 380 3.725 -4.957 -7.272 1.00 15.00 H new ATOM 0 HB2 ARG A 380 4.615 -2.061 -7.368 1.00 15.00 H new ATOM 0 HB3 ARG A 380 4.937 -3.245 -6.117 1.00 15.00 H new ATOM 0 HG2 ARG A 380 5.998 -3.446 -8.959 1.00 15.00 H new ATOM 0 HG3 ARG A 380 6.893 -2.748 -7.624 1.00 15.00 H new ATOM 0 HD2 ARG A 380 5.775 -5.567 -7.508 1.00 15.00 H new ATOM 0 HD3 ARG A 380 7.347 -5.221 -8.203 1.00 15.00 H new ATOM 0 HE ARG A 380 7.476 -3.996 -5.725 1.00 15.00 H new ATOM 0 HH11 ARG A 380 6.597 -7.233 -6.835 1.00 15.00 H new ATOM 0 HH12 ARG A 380 7.207 -8.026 -5.379 1.00 15.00 H new ATOM 0 HH21 ARG A 380 8.292 -5.018 -3.876 1.00 15.00 H new ATOM 0 HH22 ARG A 380 8.167 -6.772 -3.705 1.00 15.00 H new ATOM 250 N THR A 381 1.465 -4.152 -6.603 1.00 15.00 N ATOM 251 CA THR A 381 0.190 -3.682 -6.094 1.00 15.00 C ATOM 252 C THR A 381 0.250 -3.499 -4.583 1.00 15.00 C ATOM 253 O THR A 381 0.063 -4.449 -3.826 1.00 15.00 O ATOM 254 CB THR A 381 -0.941 -4.664 -6.453 1.00 15.00 C ATOM 255 OG1 THR A 381 -0.549 -6.000 -6.114 1.00 15.00 O ATOM 256 CG2 THR A 381 -1.274 -4.590 -7.937 1.00 15.00 C ATOM 0 H THR A 381 1.625 -5.152 -6.482 1.00 15.00 H new ATOM 0 HA THR A 381 -0.020 -2.720 -6.561 1.00 15.00 H new ATOM 0 HB THR A 381 -1.829 -4.387 -5.885 1.00 15.00 H new ATOM 0 HG1 THR A 381 -0.168 -6.010 -5.211 1.00 15.00 H new ATOM 0 HG21 THR A 381 -2.075 -5.293 -8.166 1.00 15.00 H new ATOM 0 HG22 THR A 381 -1.595 -3.579 -8.188 1.00 15.00 H new ATOM 0 HG23 THR A 381 -0.390 -4.845 -8.521 1.00 15.00 H new ATOM 264 N TYR A 382 0.537 -2.283 -4.145 1.00 15.00 N ATOM 265 CA TYR A 382 0.658 -2.014 -2.726 1.00 15.00 C ATOM 266 C TYR A 382 -0.399 -1.021 -2.253 1.00 15.00 C ATOM 267 O TYR A 382 -0.560 0.065 -2.816 1.00 15.00 O ATOM 268 CB TYR A 382 2.075 -1.527 -2.379 1.00 15.00 C ATOM 269 CG TYR A 382 2.626 -0.417 -3.258 1.00 15.00 C ATOM 270 CD1 TYR A 382 2.261 0.908 -3.059 1.00 15.00 C ATOM 271 CD2 TYR A 382 3.536 -0.698 -4.273 1.00 15.00 C ATOM 272 CE1 TYR A 382 2.780 1.920 -3.845 1.00 15.00 C ATOM 273 CE2 TYR A 382 4.065 0.309 -5.060 1.00 15.00 C ATOM 274 CZ TYR A 382 3.683 1.617 -4.842 1.00 15.00 C ATOM 275 OH TYR A 382 4.208 2.629 -5.617 1.00 15.00 O ATOM 0 H TYR A 382 0.689 -1.475 -4.748 1.00 15.00 H new ATOM 0 HA TYR A 382 0.485 -2.950 -2.195 1.00 15.00 H new ATOM 0 HB2 TYR A 382 2.077 -1.181 -1.345 1.00 15.00 H new ATOM 0 HB3 TYR A 382 2.754 -2.378 -2.432 1.00 15.00 H new ATOM 0 HD1 TYR A 382 1.559 1.152 -2.276 1.00 15.00 H new ATOM 0 HD2 TYR A 382 3.834 -1.721 -4.449 1.00 15.00 H new ATOM 0 HE1 TYR A 382 2.479 2.944 -3.679 1.00 15.00 H new ATOM 0 HE2 TYR A 382 4.773 0.073 -5.841 1.00 15.00 H new ATOM 0 HH TYR A 382 4.561 2.253 -6.450 1.00 15.00 H new ATOM 285 N TYR A 383 -1.137 -1.419 -1.230 1.00 15.00 N ATOM 286 CA TYR A 383 -2.091 -0.535 -0.582 1.00 15.00 C ATOM 287 C TYR A 383 -1.416 0.131 0.605 1.00 15.00 C ATOM 288 O TYR A 383 -1.026 -0.548 1.557 1.00 15.00 O ATOM 289 CB TYR A 383 -3.322 -1.312 -0.109 1.00 15.00 C ATOM 290 CG TYR A 383 -4.063 -2.034 -1.213 1.00 15.00 C ATOM 291 CD1 TYR A 383 -3.675 -3.306 -1.615 1.00 15.00 C ATOM 292 CD2 TYR A 383 -5.153 -1.450 -1.842 1.00 15.00 C ATOM 293 CE1 TYR A 383 -4.350 -3.973 -2.616 1.00 15.00 C ATOM 294 CE2 TYR A 383 -5.838 -2.112 -2.843 1.00 15.00 C ATOM 295 CZ TYR A 383 -5.431 -3.373 -3.227 1.00 15.00 C ATOM 296 OH TYR A 383 -6.113 -4.041 -4.219 1.00 15.00 O ATOM 0 H TYR A 383 -1.093 -2.356 -0.828 1.00 15.00 H new ATOM 0 HA TYR A 383 -2.421 0.218 -1.298 1.00 15.00 H new ATOM 0 HB2 TYR A 383 -3.012 -2.040 0.641 1.00 15.00 H new ATOM 0 HB3 TYR A 383 -4.007 -0.621 0.381 1.00 15.00 H new ATOM 0 HD1 TYR A 383 -2.831 -3.780 -1.136 1.00 15.00 H new ATOM 0 HD2 TYR A 383 -5.471 -0.462 -1.544 1.00 15.00 H new ATOM 0 HE1 TYR A 383 -4.034 -4.960 -2.920 1.00 15.00 H new ATOM 0 HE2 TYR A 383 -6.686 -1.645 -3.322 1.00 15.00 H new ATOM 0 HH TYR A 383 -6.848 -3.481 -4.545 1.00 15.00 H new ATOM 306 N VAL A 384 -1.241 1.441 0.539 1.00 15.00 N ATOM 307 CA VAL A 384 -0.540 2.161 1.591 1.00 15.00 C ATOM 308 C VAL A 384 -1.484 3.081 2.363 1.00 15.00 C ATOM 309 O VAL A 384 -2.250 3.841 1.772 1.00 15.00 O ATOM 310 CB VAL A 384 0.643 2.979 1.028 1.00 15.00 C ATOM 311 CG1 VAL A 384 1.729 2.064 0.487 1.00 15.00 C ATOM 312 CG2 VAL A 384 0.184 3.937 -0.052 1.00 15.00 C ATOM 0 H VAL A 384 -1.573 2.026 -0.228 1.00 15.00 H new ATOM 0 HA VAL A 384 -0.147 1.411 2.277 1.00 15.00 H new ATOM 0 HB VAL A 384 1.057 3.562 1.851 1.00 15.00 H new ATOM 0 HG11 VAL A 384 2.550 2.665 0.097 1.00 15.00 H new ATOM 0 HG12 VAL A 384 2.097 1.423 1.288 1.00 15.00 H new ATOM 0 HG13 VAL A 384 1.320 1.446 -0.312 1.00 15.00 H new ATOM 0 HG21 VAL A 384 1.039 4.498 -0.428 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -0.269 3.375 -0.869 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -0.549 4.628 0.363 1.00 15.00 H new ATOM 322 N ASN A 385 -1.428 3.000 3.686 1.00 15.00 N ATOM 323 CA ASN A 385 -2.286 3.812 4.540 1.00 15.00 C ATOM 324 C ASN A 385 -1.478 4.873 5.274 1.00 15.00 C ATOM 325 O ASN A 385 -0.514 4.557 5.968 1.00 15.00 O ATOM 326 CB ASN A 385 -3.013 2.928 5.555 1.00 15.00 C ATOM 327 CG ASN A 385 -3.911 3.729 6.481 1.00 15.00 C ATOM 328 OD1 ASN A 385 -4.399 4.800 6.126 1.00 15.00 O ATOM 329 ND2 ASN A 385 -4.137 3.215 7.679 1.00 15.00 N ATOM 0 H ASN A 385 -0.796 2.379 4.192 1.00 15.00 H new ATOM 0 HA ASN A 385 -3.018 4.310 3.904 1.00 15.00 H new ATOM 0 HB2 ASN A 385 -3.611 2.187 5.025 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -2.280 2.381 6.148 1.00 15.00 H new ATOM 0 HD21 ASN A 385 -4.733 3.710 8.342 1.00 15.00 H new ATOM 0 HD22 ASN A 385 -3.715 2.324 7.939 1.00 15.00 H new ATOM 336 N HIS A 386 -1.897 6.125 5.137 1.00 15.00 N ATOM 337 CA HIS A 386 -1.238 7.241 5.809 1.00 15.00 C ATOM 338 C HIS A 386 -1.683 7.350 7.264 1.00 15.00 C ATOM 339 O HIS A 386 -1.044 8.030 8.064 1.00 15.00 O ATOM 340 CB HIS A 386 -1.546 8.569 5.110 1.00 15.00 C ATOM 341 CG HIS A 386 -0.923 8.733 3.758 1.00 15.00 C ATOM 342 ND1 HIS A 386 0.255 9.413 3.556 1.00 15.00 N ATOM 343 CD2 HIS A 386 -1.347 8.347 2.534 1.00 15.00 C ATOM 344 CE1 HIS A 386 0.529 9.443 2.267 1.00 15.00 C ATOM 345 NE2 HIS A 386 -0.429 8.802 1.622 1.00 15.00 N ATOM 0 H HIS A 386 -2.696 6.395 4.563 1.00 15.00 H new ATOM 0 HA HIS A 386 -0.167 7.044 5.767 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -2.627 8.667 5.009 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -1.210 9.385 5.750 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -2.243 7.785 2.315 1.00 15.00 H new ATOM 0 HE1 HIS A 386 1.390 9.912 1.815 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.478 8.668 0.612 1.00 15.00 H new ATOM 354 N ASN A 387 -2.796 6.703 7.593 1.00 15.00 N ATOM 355 CA ASN A 387 -3.397 6.843 8.918 1.00 15.00 C ATOM 356 C ASN A 387 -2.525 6.212 10.001 1.00 15.00 C ATOM 357 O ASN A 387 -2.170 6.864 10.980 1.00 15.00 O ATOM 358 CB ASN A 387 -4.801 6.229 8.942 1.00 15.00 C ATOM 359 CG ASN A 387 -5.529 6.477 10.250 1.00 15.00 C ATOM 360 OD1 ASN A 387 -5.291 7.475 10.931 1.00 15.00 O ATOM 361 ND2 ASN A 387 -6.432 5.574 10.603 1.00 15.00 N ATOM 0 H ASN A 387 -3.300 6.078 6.964 1.00 15.00 H new ATOM 0 HA ASN A 387 -3.475 7.909 9.131 1.00 15.00 H new ATOM 0 HB2 ASN A 387 -5.387 6.642 8.121 1.00 15.00 H new ATOM 0 HB3 ASN A 387 -4.726 5.155 8.771 1.00 15.00 H new ATOM 0 HD21 ASN A 387 -6.960 5.692 11.468 1.00 15.00 H new ATOM 0 HD22 ASN A 387 -6.599 4.761 10.010 1.00 15.00 H new ATOM 368 N ASN A 388 -2.192 4.939 9.832 1.00 15.00 N ATOM 369 CA ASN A 388 -1.349 4.244 10.803 1.00 15.00 C ATOM 370 C ASN A 388 0.062 4.061 10.258 1.00 15.00 C ATOM 371 O ASN A 388 0.979 3.719 11.002 1.00 15.00 O ATOM 372 CB ASN A 388 -1.956 2.895 11.221 1.00 15.00 C ATOM 373 CG ASN A 388 -1.909 1.835 10.135 1.00 15.00 C ATOM 374 OD1 ASN A 388 -1.927 2.134 8.941 1.00 15.00 O ATOM 375 ND2 ASN A 388 -1.867 0.580 10.552 1.00 15.00 N ATOM 0 H ASN A 388 -2.488 4.369 9.040 1.00 15.00 H new ATOM 0 HA ASN A 388 -1.295 4.866 11.696 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -1.425 2.526 12.099 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -2.993 3.051 11.518 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -1.848 -0.182 9.874 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -1.853 0.375 11.551 1.00 15.00 H new ATOM 382 N ARG A 389 0.202 4.264 8.946 1.00 15.00 N ATOM 383 CA ARG A 389 1.483 4.155 8.245 1.00 15.00 C ATOM 384 C ARG A 389 1.893 2.695 8.084 1.00 15.00 C ATOM 385 O ARG A 389 2.833 2.213 8.719 1.00 15.00 O ATOM 386 CB ARG A 389 2.579 4.981 8.937 1.00 15.00 C ATOM 387 CG ARG A 389 2.254 6.466 8.994 1.00 15.00 C ATOM 388 CD ARG A 389 3.292 7.251 9.779 1.00 15.00 C ATOM 389 NE ARG A 389 2.941 8.672 9.863 1.00 15.00 N ATOM 390 CZ ARG A 389 3.678 9.595 10.482 1.00 15.00 C ATOM 391 NH1 ARG A 389 4.794 9.254 11.116 1.00 15.00 N1+ ATOM 392 NH2 ARG A 389 3.288 10.865 10.484 1.00 15.00 N ATOM 0 H ARG A 389 -0.577 4.511 8.335 1.00 15.00 H new ATOM 0 HA ARG A 389 1.353 4.574 7.247 1.00 15.00 H new ATOM 0 HB2 ARG A 389 2.724 4.607 9.950 1.00 15.00 H new ATOM 0 HB3 ARG A 389 3.521 4.841 8.408 1.00 15.00 H new ATOM 0 HG2 ARG A 389 2.192 6.862 7.980 1.00 15.00 H new ATOM 0 HG3 ARG A 389 1.274 6.605 9.451 1.00 15.00 H new ATOM 0 HD2 ARG A 389 3.380 6.837 10.783 1.00 15.00 H new ATOM 0 HD3 ARG A 389 4.267 7.144 9.304 1.00 15.00 H new ATOM 0 HE ARG A 389 2.075 8.975 9.418 1.00 15.00 H new ATOM 0 HH11 ARG A 389 5.094 8.279 11.132 1.00 15.00 H new ATOM 0 HH12 ARG A 389 5.351 9.967 11.587 1.00 15.00 H new ATOM 0 HH21 ARG A 389 2.425 11.134 10.012 1.00 15.00 H new ATOM 0 HH22 ARG A 389 3.852 11.571 10.958 1.00 15.00 H new ATOM 406 N THR A 390 1.135 1.988 7.260 1.00 15.00 N ATOM 407 CA THR A 390 1.419 0.603 6.936 1.00 15.00 C ATOM 408 C THR A 390 0.917 0.292 5.528 1.00 15.00 C ATOM 409 O THR A 390 -0.025 0.928 5.045 1.00 15.00 O ATOM 410 CB THR A 390 0.792 -0.383 7.957 1.00 15.00 C ATOM 411 OG1 THR A 390 1.677 -1.494 8.157 1.00 15.00 O ATOM 412 CG2 THR A 390 -0.563 -0.902 7.485 1.00 15.00 C ATOM 0 H THR A 390 0.306 2.361 6.798 1.00 15.00 H new ATOM 0 HA THR A 390 2.500 0.468 6.983 1.00 15.00 H new ATOM 0 HB THR A 390 0.642 0.158 8.891 1.00 15.00 H new ATOM 0 HG1 THR A 390 1.281 -2.115 8.803 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.968 -1.589 8.228 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.248 -0.064 7.354 1.00 15.00 H new ATOM 0 HG23 THR A 390 -0.442 -1.424 6.536 1.00 15.00 H new ATOM 420 N THR A 391 1.577 -0.634 4.856 1.00 15.00 N ATOM 421 CA THR A 391 1.151 -1.061 3.536 1.00 15.00 C ATOM 422 C THR A 391 0.938 -2.577 3.508 1.00 15.00 C ATOM 423 O THR A 391 1.633 -3.323 4.205 1.00 15.00 O ATOM 424 CB THR A 391 2.166 -0.621 2.459 1.00 15.00 C ATOM 425 OG1 THR A 391 1.859 -1.229 1.199 1.00 15.00 O ATOM 426 CG2 THR A 391 3.589 -0.957 2.873 1.00 15.00 C ATOM 0 H THR A 391 2.412 -1.105 5.204 1.00 15.00 H new ATOM 0 HA THR A 391 0.200 -0.580 3.309 1.00 15.00 H new ATOM 0 HB THR A 391 2.091 0.461 2.354 1.00 15.00 H new ATOM 0 HG1 THR A 391 0.897 -1.157 1.027 1.00 15.00 H new ATOM 0 HG21 THR A 391 4.280 -0.635 2.094 1.00 15.00 H new ATOM 0 HG22 THR A 391 3.828 -0.444 3.805 1.00 15.00 H new ATOM 0 HG23 THR A 391 3.681 -2.033 3.018 1.00 15.00 H new ATOM 434 N THR A 392 -0.042 -3.024 2.726 1.00 15.00 N ATOM 435 CA THR A 392 -0.414 -4.430 2.690 1.00 15.00 C ATOM 436 C THR A 392 -0.671 -4.897 1.257 1.00 15.00 C ATOM 437 O THR A 392 -1.056 -4.104 0.393 1.00 15.00 O ATOM 438 CB THR A 392 -1.665 -4.705 3.558 1.00 15.00 C ATOM 439 OG1 THR A 392 -1.972 -6.107 3.557 1.00 15.00 O ATOM 440 CG2 THR A 392 -2.872 -3.920 3.058 1.00 15.00 C ATOM 0 H THR A 392 -0.592 -2.428 2.108 1.00 15.00 H new ATOM 0 HA THR A 392 0.425 -4.993 3.099 1.00 15.00 H new ATOM 0 HB THR A 392 -1.440 -4.381 4.574 1.00 15.00 H new ATOM 0 HG1 THR A 392 -2.923 -6.233 3.359 1.00 15.00 H new ATOM 0 HG21 THR A 392 -3.734 -4.136 3.690 1.00 15.00 H new ATOM 0 HG22 THR A 392 -2.653 -2.853 3.096 1.00 15.00 H new ATOM 0 HG23 THR A 392 -3.094 -4.209 2.031 1.00 15.00 H new ATOM 448 N TRP A 393 -0.414 -6.181 1.009 1.00 15.00 N ATOM 449 CA TRP A 393 -0.677 -6.791 -0.292 1.00 15.00 C ATOM 450 C TRP A 393 -2.165 -7.087 -0.469 1.00 15.00 C ATOM 451 O TRP A 393 -2.639 -7.289 -1.584 1.00 15.00 O ATOM 452 CB TRP A 393 0.093 -8.108 -0.447 1.00 15.00 C ATOM 453 CG TRP A 393 1.585 -7.977 -0.408 1.00 15.00 C ATOM 454 CD1 TRP A 393 2.432 -8.561 0.492 1.00 15.00 C ATOM 455 CD2 TRP A 393 2.410 -7.225 -1.305 1.00 15.00 C ATOM 456 NE1 TRP A 393 3.728 -8.225 0.203 1.00 15.00 N ATOM 457 CE2 TRP A 393 3.741 -7.400 -0.888 1.00 15.00 C ATOM 458 CE3 TRP A 393 2.155 -6.420 -2.417 1.00 15.00 C ATOM 459 CZ2 TRP A 393 4.812 -6.802 -1.538 1.00 15.00 C ATOM 460 CZ3 TRP A 393 3.222 -5.824 -3.066 1.00 15.00 C ATOM 461 CH2 TRP A 393 4.537 -6.017 -2.623 1.00 15.00 C ATOM 0 H TRP A 393 -0.021 -6.822 1.698 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.349 -6.078 -1.048 1.00 15.00 H new ATOM 0 HB2 TRP A 393 -0.218 -8.789 0.346 1.00 15.00 H new ATOM 0 HB3 TRP A 393 -0.192 -8.569 -1.393 1.00 15.00 H new ATOM 0 HD1 TRP A 393 2.124 -9.194 1.311 1.00 15.00 H new ATOM 0 HE1 TRP A 393 4.550 -8.539 0.718 1.00 15.00 H new ATOM 0 HE3 TRP A 393 1.144 -6.265 -2.764 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 5.826 -6.952 -1.199 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 3.038 -5.200 -3.928 1.00 15.00 H new ATOM 0 HH2 TRP A 393 5.349 -5.537 -3.149 1.00 15.00 H new ATOM 472 N THR A 394 -2.886 -7.147 0.643 1.00 15.00 N ATOM 473 CA THR A 394 -4.280 -7.559 0.623 1.00 15.00 C ATOM 474 C THR A 394 -5.212 -6.379 0.373 1.00 15.00 C ATOM 475 O THR A 394 -4.905 -5.243 0.739 1.00 15.00 O ATOM 476 CB THR A 394 -4.669 -8.248 1.945 1.00 15.00 C ATOM 477 OG1 THR A 394 -4.368 -7.396 3.062 1.00 15.00 O ATOM 478 CG2 THR A 394 -3.934 -9.570 2.103 1.00 15.00 C ATOM 0 H THR A 394 -2.527 -6.915 1.569 1.00 15.00 H new ATOM 0 HA THR A 394 -4.390 -8.267 -0.198 1.00 15.00 H new ATOM 0 HB THR A 394 -5.741 -8.442 1.919 1.00 15.00 H new ATOM 0 HG1 THR A 394 -4.622 -7.846 3.895 1.00 15.00 H new ATOM 0 HG21 THR A 394 -4.225 -10.038 3.044 1.00 15.00 H new ATOM 0 HG22 THR A 394 -4.191 -10.230 1.275 1.00 15.00 H new ATOM 0 HG23 THR A 394 -2.859 -9.391 2.104 1.00 15.00 H new ATOM 486 N ARG A 395 -6.345 -6.654 -0.259 1.00 15.00 N ATOM 487 CA ARG A 395 -7.341 -5.629 -0.521 1.00 15.00 C ATOM 488 C ARG A 395 -8.210 -5.397 0.711 1.00 15.00 C ATOM 489 O ARG A 395 -8.880 -6.314 1.186 1.00 15.00 O ATOM 490 CB ARG A 395 -8.231 -6.030 -1.706 1.00 15.00 C ATOM 491 CG ARG A 395 -9.392 -5.072 -1.941 1.00 15.00 C ATOM 492 CD ARG A 395 -8.900 -3.693 -2.334 1.00 15.00 C ATOM 493 NE ARG A 395 -9.662 -2.620 -1.693 1.00 15.00 N ATOM 494 CZ ARG A 395 -9.625 -1.356 -2.100 1.00 15.00 C ATOM 495 NH1 ARG A 395 -9.032 -1.053 -3.245 1.00 15.00 N1+ ATOM 496 NH2 ARG A 395 -10.210 -0.398 -1.393 1.00 15.00 N ATOM 0 H ARG A 395 -6.596 -7.582 -0.600 1.00 15.00 H new ATOM 0 HA ARG A 395 -6.815 -4.706 -0.766 1.00 15.00 H new ATOM 0 HB2 ARG A 395 -7.622 -6.079 -2.608 1.00 15.00 H new ATOM 0 HB3 ARG A 395 -8.625 -7.031 -1.533 1.00 15.00 H new ATOM 0 HG2 ARG A 395 -10.038 -5.467 -2.725 1.00 15.00 H new ATOM 0 HG3 ARG A 395 -9.996 -5.000 -1.036 1.00 15.00 H new ATOM 0 HD2 ARG A 395 -7.848 -3.597 -2.066 1.00 15.00 H new ATOM 0 HD3 ARG A 395 -8.965 -3.583 -3.417 1.00 15.00 H new ATOM 0 HE ARG A 395 -10.251 -2.855 -0.894 1.00 15.00 H new ATOM 0 HH11 ARG A 395 -8.607 -1.789 -3.809 1.00 15.00 H new ATOM 0 HH12 ARG A 395 -9.001 -0.084 -3.562 1.00 15.00 H new ATOM 0 HH21 ARG A 395 -10.695 -0.628 -0.526 1.00 15.00 H new ATOM 0 HH22 ARG A 395 -10.174 0.569 -1.716 1.00 15.00 H new ATOM 510 N PRO A 396 -8.207 -4.169 1.247 1.00 15.00 N ATOM 511 CA PRO A 396 -9.123 -3.789 2.317 1.00 15.00 C ATOM 512 C PRO A 396 -10.555 -3.698 1.798 1.00 15.00 C ATOM 513 O PRO A 396 -10.848 -2.924 0.880 1.00 15.00 O ATOM 514 CB PRO A 396 -8.615 -2.416 2.771 1.00 15.00 C ATOM 515 CG PRO A 396 -7.844 -1.881 1.612 1.00 15.00 C ATOM 516 CD PRO A 396 -7.292 -3.072 0.877 1.00 15.00 C ATOM 0 HA PRO A 396 -9.145 -4.515 3.129 1.00 15.00 H new ATOM 0 HB2 PRO A 396 -9.443 -1.756 3.031 1.00 15.00 H new ATOM 0 HB3 PRO A 396 -7.985 -2.502 3.657 1.00 15.00 H new ATOM 0 HG2 PRO A 396 -8.485 -1.287 0.961 1.00 15.00 H new ATOM 0 HG3 PRO A 396 -7.040 -1.227 1.950 1.00 15.00 H new ATOM 0 HD2 PRO A 396 -7.280 -2.907 -0.200 1.00 15.00 H new ATOM 0 HD3 PRO A 396 -6.267 -3.288 1.178 1.00 15.00 H new ATOM 588 N GLU B 205 4.848 -12.619 -2.213 1.00 15.00 N ATOM 589 CA GLU B 205 5.792 -11.522 -2.352 1.00 15.00 C ATOM 590 C GLU B 205 6.330 -11.114 -0.992 1.00 15.00 C ATOM 591 O GLU B 205 5.610 -11.169 0.007 1.00 15.00 O ATOM 592 CB GLU B 205 5.115 -10.322 -3.014 1.00 15.00 C ATOM 593 CG GLU B 205 4.953 -10.458 -4.517 1.00 15.00 C ATOM 594 CD GLU B 205 6.284 -10.539 -5.234 1.00 15.00 C ATOM 595 OE1 GLU B 205 7.155 -9.678 -4.981 1.00 15.00 O1- ATOM 596 OE2 GLU B 205 6.472 -11.465 -6.051 1.00 15.00 O ATOM 0 HA GLU B 205 6.619 -11.857 -2.978 1.00 15.00 H new ATOM 0 HB2 GLU B 205 4.133 -10.178 -2.564 1.00 15.00 H new ATOM 0 HB3 GLU B 205 5.698 -9.426 -2.801 1.00 15.00 H new ATOM 0 HG2 GLU B 205 4.369 -11.352 -4.738 1.00 15.00 H new ATOM 0 HG3 GLU B 205 4.389 -9.607 -4.898 1.00 15.00 H new ATOM 603 N SER B 206 7.585 -10.688 -0.965 1.00 15.00 N ATOM 604 CA SER B 206 8.196 -10.178 0.253 1.00 15.00 C ATOM 605 C SER B 206 7.393 -8.987 0.770 1.00 15.00 C ATOM 606 O SER B 206 6.858 -8.220 -0.024 1.00 15.00 O ATOM 607 CB SER B 206 9.638 -9.753 -0.036 1.00 15.00 C ATOM 608 OG SER B 206 10.369 -10.811 -0.636 1.00 15.00 O ATOM 0 H SER B 206 8.202 -10.686 -1.777 1.00 15.00 H new ATOM 0 HA SER B 206 8.200 -10.960 1.013 1.00 15.00 H new ATOM 0 HB2 SER B 206 9.640 -8.885 -0.695 1.00 15.00 H new ATOM 0 HB3 SER B 206 10.124 -9.450 0.891 1.00 15.00 H new ATOM 0 HG SER B 206 11.286 -10.516 -0.813 1.00 15.00 H new ATOM 614 N PRO B 207 7.310 -8.812 2.100 1.00 15.00 N ATOM 615 CA PRO B 207 6.548 -7.720 2.717 1.00 15.00 C ATOM 616 C PRO B 207 6.868 -6.368 2.086 1.00 15.00 C ATOM 617 O PRO B 207 8.038 -6.060 1.848 1.00 15.00 O ATOM 618 CB PRO B 207 7.018 -7.749 4.169 1.00 15.00 C ATOM 619 CG PRO B 207 7.382 -9.171 4.406 1.00 15.00 C ATOM 620 CD PRO B 207 7.940 -9.680 3.108 1.00 15.00 C ATOM 0 HA PRO B 207 5.472 -7.848 2.595 1.00 15.00 H new ATOM 0 HB2 PRO B 207 7.871 -7.088 4.325 1.00 15.00 H new ATOM 0 HB3 PRO B 207 6.232 -7.420 4.849 1.00 15.00 H new ATOM 0 HG2 PRO B 207 8.117 -9.257 5.206 1.00 15.00 H new ATOM 0 HG3 PRO B 207 6.511 -9.751 4.710 1.00 15.00 H new ATOM 0 HD2 PRO B 207 9.027 -9.603 3.081 1.00 15.00 H new ATOM 0 HD3 PRO B 207 7.690 -10.729 2.947 1.00 15.00 H new ATOM 628 N PRO B 208 5.833 -5.547 1.809 1.00 15.00 N ATOM 629 CA PRO B 208 5.986 -4.279 1.080 1.00 15.00 C ATOM 630 C PRO B 208 7.100 -3.391 1.619 1.00 15.00 C ATOM 631 O PRO B 208 7.388 -3.376 2.822 1.00 15.00 O ATOM 632 CB PRO B 208 4.638 -3.599 1.276 1.00 15.00 C ATOM 633 CG PRO B 208 3.686 -4.719 1.410 1.00 15.00 C ATOM 634 CD PRO B 208 4.419 -5.774 2.186 1.00 15.00 C ATOM 0 HA PRO B 208 6.260 -4.457 0.040 1.00 15.00 H new ATOM 0 HB2 PRO B 208 4.636 -2.966 2.163 1.00 15.00 H new ATOM 0 HB3 PRO B 208 4.386 -2.961 0.429 1.00 15.00 H new ATOM 0 HG2 PRO B 208 2.781 -4.405 1.931 1.00 15.00 H new ATOM 0 HG3 PRO B 208 3.378 -5.092 0.433 1.00 15.00 H new ATOM 0 HD2 PRO B 208 4.266 -5.664 3.260 1.00 15.00 H new ATOM 0 HD3 PRO B 208 4.086 -6.776 1.917 1.00 15.00 H new ATOM 642 N PRO B 209 7.714 -2.621 0.713 1.00 15.00 N ATOM 643 CA PRO B 209 8.792 -1.681 1.040 1.00 15.00 C ATOM 644 C PRO B 209 8.399 -0.728 2.170 1.00 15.00 C ATOM 645 O PRO B 209 7.239 -0.322 2.271 1.00 15.00 O ATOM 646 CB PRO B 209 8.989 -0.924 -0.276 1.00 15.00 C ATOM 647 CG PRO B 209 8.558 -1.889 -1.320 1.00 15.00 C ATOM 648 CD PRO B 209 7.389 -2.604 -0.725 1.00 15.00 C ATOM 0 HA PRO B 209 9.693 -2.179 1.399 1.00 15.00 H new ATOM 0 HB2 PRO B 209 8.391 -0.013 -0.305 1.00 15.00 H new ATOM 0 HB3 PRO B 209 10.029 -0.627 -0.413 1.00 15.00 H new ATOM 0 HG2 PRO B 209 8.280 -1.376 -2.241 1.00 15.00 H new ATOM 0 HG3 PRO B 209 9.360 -2.584 -1.571 1.00 15.00 H new ATOM 0 HD2 PRO B 209 6.453 -2.082 -0.922 1.00 15.00 H new ATOM 0 HD3 PRO B 209 7.283 -3.611 -1.128 1.00 15.00 H new ATOM 656 N PRO B 210 9.373 -0.353 3.020 1.00 15.00 N ATOM 657 CA PRO B 210 9.130 0.473 4.210 1.00 15.00 C ATOM 658 C PRO B 210 8.375 1.759 3.889 1.00 15.00 C ATOM 659 O PRO B 210 8.823 2.574 3.081 1.00 15.00 O ATOM 660 CB PRO B 210 10.537 0.794 4.733 1.00 15.00 C ATOM 661 CG PRO B 210 11.470 0.422 3.629 1.00 15.00 C ATOM 662 CD PRO B 210 10.796 -0.686 2.876 1.00 15.00 C ATOM 0 HA PRO B 210 8.505 -0.049 4.934 1.00 15.00 H new ATOM 0 HB2 PRO B 210 10.630 1.850 4.985 1.00 15.00 H new ATOM 0 HB3 PRO B 210 10.757 0.229 5.639 1.00 15.00 H new ATOM 0 HG2 PRO B 210 11.664 1.274 2.978 1.00 15.00 H new ATOM 0 HG3 PRO B 210 12.432 0.097 4.024 1.00 15.00 H new ATOM 0 HD2 PRO B 210 11.103 -0.710 1.830 1.00 15.00 H new ATOM 0 HD3 PRO B 210 11.028 -1.663 3.299 1.00 15.00 H new ATOM 670 N TYR B 211 7.228 1.933 4.526 1.00 15.00 N ATOM 671 CA TYR B 211 6.392 3.090 4.273 1.00 15.00 C ATOM 672 C TYR B 211 6.603 4.149 5.345 1.00 15.00 C ATOM 673 O TYR B 211 6.222 3.963 6.500 1.00 15.00 O ATOM 674 CB TYR B 211 4.919 2.681 4.220 1.00 15.00 C ATOM 675 CG TYR B 211 4.014 3.756 3.671 1.00 15.00 C ATOM 676 CD1 TYR B 211 4.078 4.104 2.331 1.00 15.00 C ATOM 677 CD2 TYR B 211 3.095 4.412 4.480 1.00 15.00 C ATOM 678 CE1 TYR B 211 3.253 5.075 1.809 1.00 15.00 C ATOM 679 CE2 TYR B 211 2.266 5.390 3.964 1.00 15.00 C ATOM 680 CZ TYR B 211 2.351 5.713 2.627 1.00 15.00 C ATOM 681 OH TYR B 211 1.524 6.671 2.102 1.00 15.00 O ATOM 0 H TYR B 211 6.857 1.286 5.222 1.00 15.00 H new ATOM 0 HA TYR B 211 6.675 3.512 3.309 1.00 15.00 H new ATOM 0 HB2 TYR B 211 4.821 1.786 3.606 1.00 15.00 H new ATOM 0 HB3 TYR B 211 4.588 2.416 5.224 1.00 15.00 H new ATOM 0 HD1 TYR B 211 4.786 3.606 1.686 1.00 15.00 H new ATOM 0 HD2 TYR B 211 3.027 4.154 5.527 1.00 15.00 H new ATOM 0 HE1 TYR B 211 3.314 5.334 0.762 1.00 15.00 H new ATOM 0 HE2 TYR B 211 1.558 5.897 4.603 1.00 15.00 H new ATOM 0 HH TYR B 211 0.599 6.485 2.366 1.00 15.00 H new ATOM 691 N SER B 212 7.244 5.239 4.964 1.00 15.00 N ATOM 692 CA SER B 212 7.454 6.354 5.870 1.00 15.00 C ATOM 693 C SER B 212 6.446 7.464 5.584 1.00 15.00 C ATOM 694 O SER B 212 5.504 7.674 6.344 1.00 15.00 O ATOM 695 CB SER B 212 8.885 6.877 5.729 1.00 15.00 C ATOM 696 OG SER B 212 9.825 5.840 5.945 1.00 15.00 O ATOM 0 H SER B 212 7.630 5.376 4.030 1.00 15.00 H new ATOM 0 HA SER B 212 7.306 6.013 6.895 1.00 15.00 H new ATOM 0 HB2 SER B 212 9.026 7.300 4.734 1.00 15.00 H new ATOM 0 HB3 SER B 212 9.055 7.682 6.444 1.00 15.00 H new ATOM 0 HG SER B 212 10.733 6.196 5.848 1.00 15.00 H new ATOM 702 N ARG B 213 6.645 8.166 4.474 1.00 15.00 N ATOM 703 CA ARG B 213 5.735 9.238 4.082 1.00 15.00 C ATOM 704 C ARG B 213 5.105 8.959 2.718 1.00 15.00 C ATOM 705 O ARG B 213 3.890 9.044 2.557 1.00 15.00 O ATOM 706 CB ARG B 213 6.460 10.589 4.049 1.00 15.00 C ATOM 707 CG ARG B 213 7.091 10.990 5.375 1.00 15.00 C ATOM 708 CD ARG B 213 6.065 11.072 6.495 1.00 15.00 C ATOM 709 NE ARG B 213 5.005 12.040 6.216 1.00 15.00 N ATOM 710 CZ ARG B 213 4.471 12.847 7.133 1.00 15.00 C ATOM 711 NH1 ARG B 213 4.980 12.901 8.360 1.00 15.00 N1+ ATOM 712 NH2 ARG B 213 3.447 13.626 6.812 1.00 15.00 N ATOM 0 H ARG B 213 7.423 8.014 3.832 1.00 15.00 H new ATOM 0 HA ARG B 213 4.943 9.280 4.830 1.00 15.00 H new ATOM 0 HB2 ARG B 213 7.237 10.553 3.286 1.00 15.00 H new ATOM 0 HB3 ARG B 213 5.752 11.361 3.748 1.00 15.00 H new ATOM 0 HG2 ARG B 213 7.862 10.267 5.642 1.00 15.00 H new ATOM 0 HG3 ARG B 213 7.584 11.956 5.264 1.00 15.00 H new ATOM 0 HD2 ARG B 213 5.622 10.088 6.650 1.00 15.00 H new ATOM 0 HD3 ARG B 213 6.567 11.345 7.423 1.00 15.00 H new ATOM 0 HE ARG B 213 4.652 12.102 5.261 1.00 15.00 H new ATOM 0 HH11 ARG B 213 5.784 12.323 8.605 1.00 15.00 H new ATOM 0 HH12 ARG B 213 4.567 13.521 9.057 1.00 15.00 H new ATOM 0 HH21 ARG B 213 3.069 13.607 5.865 1.00 15.00 H new ATOM 0 HH22 ARG B 213 3.037 14.244 7.512 1.00 15.00 H new ATOM 726 N TYR B 214 5.944 8.654 1.731 1.00 15.00 N ATOM 727 CA TYR B 214 5.477 8.387 0.376 1.00 15.00 C ATOM 728 C TYR B 214 5.862 6.977 -0.056 1.00 15.00 C ATOM 729 O TYR B 214 6.907 6.464 0.349 1.00 15.00 O ATOM 730 CB TYR B 214 6.064 9.419 -0.593 1.00 15.00 C ATOM 731 CG TYR B 214 5.550 10.820 -0.357 1.00 15.00 C ATOM 732 CD1 TYR B 214 4.362 11.248 -0.936 1.00 15.00 C ATOM 733 CD2 TYR B 214 6.246 11.712 0.447 1.00 15.00 C ATOM 734 CE1 TYR B 214 3.884 12.525 -0.721 1.00 15.00 C ATOM 735 CE2 TYR B 214 5.773 12.991 0.670 1.00 15.00 C ATOM 736 CZ TYR B 214 4.592 13.392 0.083 1.00 15.00 C ATOM 737 OH TYR B 214 4.113 14.663 0.304 1.00 15.00 O ATOM 0 H TYR B 214 6.955 8.586 1.847 1.00 15.00 H new ATOM 0 HA TYR B 214 4.390 8.465 0.360 1.00 15.00 H new ATOM 0 HB2 TYR B 214 7.150 9.417 -0.500 1.00 15.00 H new ATOM 0 HB3 TYR B 214 5.831 9.121 -1.615 1.00 15.00 H new ATOM 0 HD1 TYR B 214 3.803 10.571 -1.565 1.00 15.00 H new ATOM 0 HD2 TYR B 214 7.173 11.401 0.906 1.00 15.00 H new ATOM 0 HE1 TYR B 214 2.960 12.843 -1.181 1.00 15.00 H new ATOM 0 HE2 TYR B 214 6.325 13.672 1.300 1.00 15.00 H new ATOM 0 HH TYR B 214 4.729 15.147 0.893 1.00 15.00 H new ATOM 747 N PRO B 215 5.028 6.342 -0.894 1.00 15.00 N ATOM 748 CA PRO B 215 5.269 4.978 -1.373 1.00 15.00 C ATOM 749 C PRO B 215 6.443 4.902 -2.348 1.00 15.00 C ATOM 750 O PRO B 215 6.592 5.746 -3.236 1.00 15.00 O ATOM 751 CB PRO B 215 3.960 4.617 -2.083 1.00 15.00 C ATOM 752 CG PRO B 215 3.376 5.921 -2.495 1.00 15.00 C ATOM 753 CD PRO B 215 3.779 6.909 -1.437 1.00 15.00 C ATOM 0 HA PRO B 215 5.532 4.301 -0.560 1.00 15.00 H new ATOM 0 HB2 PRO B 215 4.142 3.976 -2.945 1.00 15.00 H new ATOM 0 HB3 PRO B 215 3.287 4.075 -1.419 1.00 15.00 H new ATOM 0 HG2 PRO B 215 3.749 6.224 -3.474 1.00 15.00 H new ATOM 0 HG3 PRO B 215 2.291 5.855 -2.574 1.00 15.00 H new ATOM 0 HD2 PRO B 215 3.938 7.903 -1.856 1.00 15.00 H new ATOM 0 HD3 PRO B 215 3.014 7.006 -0.667 1.00 15.00 H new ATOM 761 N MET B 216 7.268 3.877 -2.184 1.00 15.00 N ATOM 762 CA MET B 216 8.443 3.692 -3.018 1.00 15.00 C ATOM 763 C MET B 216 8.712 2.203 -3.223 1.00 15.00 C ATOM 764 O MET B 216 8.666 1.426 -2.273 1.00 15.00 O ATOM 765 CB MET B 216 9.657 4.377 -2.370 1.00 15.00 C ATOM 766 CG MET B 216 10.070 3.776 -1.033 1.00 15.00 C ATOM 767 SD MET B 216 11.448 4.653 -0.267 1.00 15.00 S ATOM 768 CE MET B 216 10.710 6.261 0.018 1.00 15.00 C ATOM 0 H MET B 216 7.141 3.156 -1.474 1.00 15.00 H new ATOM 0 HA MET B 216 8.265 4.147 -3.992 1.00 15.00 H new ATOM 0 HB2 MET B 216 10.501 4.322 -3.057 1.00 15.00 H new ATOM 0 HB3 MET B 216 9.431 5.434 -2.227 1.00 15.00 H new ATOM 0 HG2 MET B 216 9.216 3.788 -0.355 1.00 15.00 H new ATOM 0 HG3 MET B 216 10.346 2.732 -1.179 1.00 15.00 H new ATOM 0 HE1 MET B 216 11.269 6.785 0.793 1.00 15.00 H new ATOM 0 HE2 MET B 216 10.736 6.842 -0.904 1.00 15.00 H new ATOM 0 HE3 MET B 216 9.676 6.135 0.338 1.00 15.00 H new ATOM 778 N ASP B 217 8.985 1.813 -4.462 1.00 15.00 N ATOM 779 CA ASP B 217 9.294 0.419 -4.779 1.00 15.00 C ATOM 780 C ASP B 217 10.488 0.345 -5.718 1.00 15.00 C ATOM 781 O ASP B 217 10.431 0.966 -6.802 1.00 15.00 O ATOM 782 CB ASP B 217 8.090 -0.288 -5.412 1.00 15.00 C ATOM 783 CG ASP B 217 8.396 -1.731 -5.789 1.00 15.00 C ATOM 784 OD1 ASP B 217 8.267 -2.624 -4.923 1.00 15.00 O ATOM 785 OD2 ASP B 217 8.760 -1.981 -6.959 1.00 15.00 O1- ATOM 786 OXT ASP B 217 11.477 -0.340 -5.378 1.00 15.00 O ATOM 0 H ASP B 217 8.999 2.441 -5.266 1.00 15.00 H new ATOM 0 HA ASP B 217 9.537 -0.089 -3.846 1.00 15.00 H new ATOM 0 HB2 ASP B 217 7.252 -0.267 -4.715 1.00 15.00 H new ATOM 0 HB3 ASP B 217 7.778 0.259 -6.302 1.00 15.00 H new