USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 383 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 386 HIS : no HD1:sc= -0.109 X(o=-0.22,f=0.11) USER MOD Set 1.2: B 211 TYR OH : rot 130:sc= -0.114 USER MOD Set 2.1: A 385 ASN : amide:sc= -2.92! C(o=-4!,f=-6.9!) USER MOD Set 2.2: A 388 ASN : amide:sc= -1.1 K(o=-4,f=-12!) USER MOD Set 2.3: A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 369 SER OG : rot 31:sc= 0.111 USER MOD Single : A 375 LYS NZ :NH3+ -174:sc= 1.19 (180deg=1.16) USER MOD Single : A 378 LYS NZ :NH3+ 173:sc= 2.38 (180deg=1.91) USER MOD Single : A 381 THR OG1 : rot 43:sc= 0.672 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 387 ASN : amide:sc= -0.306 K(o=-0.31,f=-2.2!) USER MOD Single : A 391 THR OG1 : rot 48:sc= 0.535 USER MOD Single : A 392 THR OG1 : rot 180:sc= 0.0454 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 -117:sc= -0.442 (180deg=-0.736) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 365 -14.858 -3.428 -3.820 1.00 15.00 N ATOM 2 CA PRO A 365 -13.857 -3.122 -2.774 1.00 15.00 C ATOM 3 C PRO A 365 -14.141 -1.765 -2.146 1.00 15.00 C ATOM 4 O PRO A 365 -14.295 -0.772 -2.854 1.00 15.00 O ATOM 5 CB PRO A 365 -12.472 -3.126 -3.401 1.00 15.00 C ATOM 6 CG PRO A 365 -12.747 -3.162 -4.862 1.00 15.00 C ATOM 7 CD PRO A 365 -14.095 -3.825 -5.020 1.00 15.00 C ATOM 0 HA PRO A 365 -13.910 -3.878 -1.991 1.00 15.00 H new ATOM 0 HB2 PRO A 365 -11.904 -2.239 -3.122 1.00 15.00 H new ATOM 0 HB3 PRO A 365 -11.890 -3.991 -3.082 1.00 15.00 H new ATOM 0 HG2 PRO A 365 -12.756 -2.156 -5.281 1.00 15.00 H new ATOM 0 HG3 PRO A 365 -11.974 -3.720 -5.390 1.00 15.00 H new ATOM 0 HD2 PRO A 365 -14.593 -3.495 -5.932 1.00 15.00 H new ATOM 0 HD3 PRO A 365 -13.997 -4.909 -5.085 1.00 15.00 H new ATOM 17 N GLY A 366 -14.214 -1.727 -0.821 1.00 15.00 N ATOM 18 CA GLY A 366 -14.417 -0.468 -0.132 1.00 15.00 C ATOM 19 C GLY A 366 -13.129 0.320 -0.027 1.00 15.00 C ATOM 20 O GLY A 366 -12.096 -0.228 0.363 1.00 15.00 O ATOM 0 H GLY A 366 -14.137 -2.543 -0.214 1.00 15.00 H new ATOM 0 HA2 GLY A 366 -15.164 0.122 -0.663 1.00 15.00 H new ATOM 0 HA3 GLY A 366 -14.811 -0.658 0.866 1.00 15.00 H new ATOM 24 N LEU A 367 -13.180 1.593 -0.386 1.00 15.00 N ATOM 25 CA LEU A 367 -11.993 2.434 -0.373 1.00 15.00 C ATOM 26 C LEU A 367 -12.051 3.395 0.810 1.00 15.00 C ATOM 27 O LEU A 367 -12.913 4.270 0.864 1.00 15.00 O ATOM 28 CB LEU A 367 -11.872 3.211 -1.696 1.00 15.00 C ATOM 29 CG LEU A 367 -10.498 3.844 -1.987 1.00 15.00 C ATOM 30 CD1 LEU A 367 -10.387 4.207 -3.457 1.00 15.00 C ATOM 31 CD2 LEU A 367 -10.263 5.086 -1.137 1.00 15.00 C ATOM 0 H LEU A 367 -14.031 2.067 -0.690 1.00 15.00 H new ATOM 0 HA LEU A 367 -11.112 1.801 -0.267 1.00 15.00 H new ATOM 0 HB2 LEU A 367 -12.119 2.535 -2.515 1.00 15.00 H new ATOM 0 HB3 LEU A 367 -12.622 4.002 -1.699 1.00 15.00 H new ATOM 0 HG LEU A 367 -9.737 3.107 -1.733 1.00 15.00 H new ATOM 0 HD11 LEU A 367 -9.411 4.653 -3.649 1.00 15.00 H new ATOM 0 HD12 LEU A 367 -10.500 3.308 -4.063 1.00 15.00 H new ATOM 0 HD13 LEU A 367 -11.169 4.920 -3.716 1.00 15.00 H new ATOM 0 HD21 LEU A 367 -9.284 5.506 -1.369 1.00 15.00 H new ATOM 0 HD22 LEU A 367 -11.035 5.825 -1.351 1.00 15.00 H new ATOM 0 HD23 LEU A 367 -10.301 4.817 -0.081 1.00 15.00 H new ATOM 43 N PRO A 368 -11.145 3.235 1.783 1.00 15.00 N ATOM 44 CA PRO A 368 -11.048 4.138 2.915 1.00 15.00 C ATOM 45 C PRO A 368 -10.099 5.300 2.628 1.00 15.00 C ATOM 46 O PRO A 368 -8.996 5.103 2.113 1.00 15.00 O ATOM 47 CB PRO A 368 -10.487 3.242 4.022 1.00 15.00 C ATOM 48 CG PRO A 368 -9.759 2.130 3.329 1.00 15.00 C ATOM 49 CD PRO A 368 -10.168 2.140 1.875 1.00 15.00 C ATOM 0 HA PRO A 368 -12.002 4.601 3.168 1.00 15.00 H new ATOM 0 HB2 PRO A 368 -9.815 3.801 4.673 1.00 15.00 H new ATOM 0 HB3 PRO A 368 -11.288 2.851 4.650 1.00 15.00 H new ATOM 0 HG2 PRO A 368 -8.681 2.263 3.423 1.00 15.00 H new ATOM 0 HG3 PRO A 368 -10.003 1.171 3.787 1.00 15.00 H new ATOM 0 HD2 PRO A 368 -9.313 2.313 1.222 1.00 15.00 H new ATOM 0 HD3 PRO A 368 -10.608 1.188 1.578 1.00 15.00 H new ATOM 57 N SER A 369 -10.523 6.509 2.976 1.00 15.00 N ATOM 58 CA SER A 369 -9.736 7.698 2.695 1.00 15.00 C ATOM 59 C SER A 369 -8.486 7.725 3.565 1.00 15.00 C ATOM 60 O SER A 369 -8.566 7.690 4.794 1.00 15.00 O ATOM 61 CB SER A 369 -10.581 8.956 2.915 1.00 15.00 C ATOM 62 OG SER A 369 -11.221 8.928 4.180 1.00 15.00 O ATOM 0 H SER A 369 -11.407 6.689 3.453 1.00 15.00 H new ATOM 0 HA SER A 369 -9.423 7.674 1.651 1.00 15.00 H new ATOM 0 HB2 SER A 369 -9.947 9.840 2.844 1.00 15.00 H new ATOM 0 HB3 SER A 369 -11.330 9.037 2.127 1.00 15.00 H new ATOM 0 HG SER A 369 -10.661 8.440 4.819 1.00 15.00 H new ATOM 68 N GLY A 370 -7.338 7.782 2.913 1.00 15.00 N ATOM 69 CA GLY A 370 -6.075 7.664 3.605 1.00 15.00 C ATOM 70 C GLY A 370 -5.270 6.528 3.025 1.00 15.00 C ATOM 71 O GLY A 370 -4.040 6.512 3.093 1.00 15.00 O ATOM 0 H GLY A 370 -7.259 7.910 1.904 1.00 15.00 H new ATOM 0 HA2 GLY A 370 -5.517 8.596 3.520 1.00 15.00 H new ATOM 0 HA3 GLY A 370 -6.248 7.492 4.667 1.00 15.00 H new ATOM 75 N TRP A 371 -5.985 5.578 2.437 1.00 15.00 N ATOM 76 CA TRP A 371 -5.369 4.447 1.769 1.00 15.00 C ATOM 77 C TRP A 371 -5.203 4.737 0.288 1.00 15.00 C ATOM 78 O TRP A 371 -6.185 4.921 -0.434 1.00 15.00 O ATOM 79 CB TRP A 371 -6.214 3.185 1.952 1.00 15.00 C ATOM 80 CG TRP A 371 -6.199 2.633 3.346 1.00 15.00 C ATOM 81 CD1 TRP A 371 -6.772 3.182 4.458 1.00 15.00 C ATOM 82 CD2 TRP A 371 -5.588 1.410 3.768 1.00 15.00 C ATOM 83 NE1 TRP A 371 -6.559 2.368 5.545 1.00 15.00 N ATOM 84 CE2 TRP A 371 -5.831 1.276 5.147 1.00 15.00 C ATOM 85 CE3 TRP A 371 -4.854 0.415 3.111 1.00 15.00 C ATOM 86 CZ2 TRP A 371 -5.372 0.186 5.880 1.00 15.00 C ATOM 87 CZ3 TRP A 371 -4.397 -0.665 3.840 1.00 15.00 C ATOM 88 CH2 TRP A 371 -4.657 -0.773 5.212 1.00 15.00 C ATOM 0 H TRP A 371 -7.005 5.572 2.411 1.00 15.00 H new ATOM 0 HA TRP A 371 -4.389 4.282 2.216 1.00 15.00 H new ATOM 0 HB2 TRP A 371 -7.244 3.407 1.672 1.00 15.00 H new ATOM 0 HB3 TRP A 371 -5.855 2.418 1.266 1.00 15.00 H new ATOM 0 HD1 TRP A 371 -7.312 4.117 4.480 1.00 15.00 H new ATOM 0 HE1 TRP A 371 -6.889 2.547 6.493 1.00 15.00 H new ATOM 0 HE3 TRP A 371 -4.649 0.491 2.053 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 -5.572 0.099 6.938 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 -3.830 -1.439 3.344 1.00 15.00 H new ATOM 0 HH2 TRP A 371 -4.286 -1.630 5.755 1.00 15.00 H new ATOM 99 N GLU A 372 -3.964 4.790 -0.160 1.00 15.00 N ATOM 100 CA GLU A 372 -3.685 5.002 -1.565 1.00 15.00 C ATOM 101 C GLU A 372 -3.299 3.687 -2.226 1.00 15.00 C ATOM 102 O GLU A 372 -2.246 3.112 -1.939 1.00 15.00 O ATOM 103 CB GLU A 372 -2.596 6.059 -1.758 1.00 15.00 C ATOM 104 CG GLU A 372 -3.019 7.459 -1.357 1.00 15.00 C ATOM 105 CD GLU A 372 -4.114 8.005 -2.242 1.00 15.00 C ATOM 106 OE1 GLU A 372 -3.834 8.295 -3.422 1.00 15.00 O1- ATOM 107 OE2 GLU A 372 -5.257 8.141 -1.766 1.00 15.00 O ATOM 0 H GLU A 372 -3.137 4.689 0.428 1.00 15.00 H new ATOM 0 HA GLU A 372 -4.590 5.376 -2.044 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.720 5.774 -1.175 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -2.294 6.068 -2.805 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -3.362 7.450 -0.323 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.156 8.123 -1.400 1.00 15.00 H new ATOM 114 N GLU A 373 -4.179 3.204 -3.089 1.00 15.00 N ATOM 115 CA GLU A 373 -3.990 1.922 -3.757 1.00 15.00 C ATOM 116 C GLU A 373 -3.247 2.154 -5.048 1.00 15.00 C ATOM 117 O GLU A 373 -3.845 2.525 -6.058 1.00 15.00 O ATOM 118 CB GLU A 373 -5.334 1.309 -4.089 1.00 15.00 C ATOM 119 CG GLU A 373 -6.403 1.713 -3.109 1.00 15.00 C ATOM 120 CD GLU A 373 -7.790 1.349 -3.597 1.00 15.00 C ATOM 121 OE1 GLU A 373 -7.929 0.996 -4.787 1.00 15.00 O1- ATOM 122 OE2 GLU A 373 -8.741 1.384 -2.796 1.00 15.00 O ATOM 0 H GLU A 373 -5.041 3.685 -3.346 1.00 15.00 H new ATOM 0 HA GLU A 373 -3.432 1.254 -3.101 1.00 15.00 H new ATOM 0 HB2 GLU A 373 -5.631 1.612 -5.093 1.00 15.00 H new ATOM 0 HB3 GLU A 373 -5.243 0.223 -4.097 1.00 15.00 H new ATOM 0 HG2 GLU A 373 -6.218 1.228 -2.151 1.00 15.00 H new ATOM 0 HG3 GLU A 373 -6.350 2.788 -2.938 1.00 15.00 H new ATOM 129 N ARG A 374 -1.956 1.972 -5.029 1.00 15.00 N ATOM 130 CA ARG A 374 -1.164 2.406 -6.147 1.00 15.00 C ATOM 131 C ARG A 374 -0.363 1.271 -6.748 1.00 15.00 C ATOM 132 O ARG A 374 0.358 0.540 -6.058 1.00 15.00 O ATOM 133 CB ARG A 374 -0.308 3.586 -5.710 1.00 15.00 C ATOM 134 CG ARG A 374 -1.174 4.782 -5.330 1.00 15.00 C ATOM 135 CD ARG A 374 -0.354 5.940 -4.792 1.00 15.00 C ATOM 136 NE ARG A 374 -1.192 7.109 -4.526 1.00 15.00 N ATOM 137 CZ ARG A 374 -0.838 8.365 -4.790 1.00 15.00 C ATOM 138 NH1 ARG A 374 0.346 8.635 -5.320 1.00 15.00 N1+ ATOM 139 NH2 ARG A 374 -1.679 9.353 -4.524 1.00 15.00 N ATOM 0 H ARG A 374 -1.437 1.535 -4.268 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.817 2.740 -6.954 1.00 15.00 H new ATOM 0 HB2 ARG A 374 0.310 3.296 -4.860 1.00 15.00 H new ATOM 0 HB3 ARG A 374 0.370 3.866 -6.516 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -1.736 5.113 -6.203 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -1.903 4.476 -4.579 1.00 15.00 H new ATOM 0 HD2 ARG A 374 0.150 5.636 -3.875 1.00 15.00 H new ATOM 0 HD3 ARG A 374 0.422 6.203 -5.510 1.00 15.00 H new ATOM 0 HE ARG A 374 -2.110 6.951 -4.110 1.00 15.00 H new ATOM 0 HH11 ARG A 374 0.996 7.877 -5.530 1.00 15.00 H new ATOM 0 HH12 ARG A 374 0.608 9.601 -5.519 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -2.593 9.150 -4.119 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -1.413 10.317 -4.724 1.00 15.00 H new ATOM 153 N LYS A 375 -0.539 1.124 -8.051 1.00 15.00 N ATOM 154 CA LYS A 375 0.074 0.057 -8.809 1.00 15.00 C ATOM 155 C LYS A 375 1.271 0.596 -9.578 1.00 15.00 C ATOM 156 O LYS A 375 1.139 1.496 -10.409 1.00 15.00 O ATOM 157 CB LYS A 375 -0.950 -0.570 -9.767 1.00 15.00 C ATOM 158 CG LYS A 375 -1.980 -1.476 -9.088 1.00 15.00 C ATOM 159 CD LYS A 375 -2.952 -0.716 -8.186 1.00 15.00 C ATOM 160 CE LYS A 375 -3.880 0.192 -8.980 1.00 15.00 C ATOM 161 NZ LYS A 375 -4.850 0.908 -8.106 1.00 15.00 N1+ ATOM 0 H LYS A 375 -1.117 1.749 -8.613 1.00 15.00 H new ATOM 0 HA LYS A 375 0.418 -0.718 -8.124 1.00 15.00 H new ATOM 0 HB2 LYS A 375 -1.476 0.229 -10.290 1.00 15.00 H new ATOM 0 HB3 LYS A 375 -0.417 -1.149 -10.521 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -2.545 -2.008 -9.853 1.00 15.00 H new ATOM 0 HG3 LYS A 375 -1.458 -2.228 -8.496 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -3.546 -1.428 -7.613 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -2.389 -0.120 -7.468 1.00 15.00 H new ATOM 0 HE2 LYS A 375 -3.287 0.920 -9.534 1.00 15.00 H new ATOM 0 HE3 LYS A 375 -4.425 -0.401 -9.715 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 -5.526 1.435 -8.696 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 -5.365 0.219 -7.521 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -4.338 1.571 -7.490 1.00 15.00 H new ATOM 175 N ASP A 376 2.433 0.046 -9.285 1.00 15.00 N ATOM 176 CA ASP A 376 3.679 0.511 -9.878 1.00 15.00 C ATOM 177 C ASP A 376 3.966 -0.247 -11.170 1.00 15.00 C ATOM 178 O ASP A 376 3.592 -1.408 -11.296 1.00 15.00 O ATOM 179 CB ASP A 376 4.827 0.346 -8.893 1.00 15.00 C ATOM 180 CG ASP A 376 5.883 1.407 -9.090 1.00 15.00 C ATOM 181 OD1 ASP A 376 6.763 1.224 -9.950 1.00 15.00 O1- ATOM 182 OD2 ASP A 376 5.824 2.441 -8.399 1.00 15.00 O ATOM 0 H ASP A 376 2.544 -0.731 -8.634 1.00 15.00 H new ATOM 0 HA ASP A 376 3.579 1.570 -10.116 1.00 15.00 H new ATOM 0 HB2 ASP A 376 4.444 0.398 -7.874 1.00 15.00 H new ATOM 0 HB3 ASP A 376 5.274 -0.641 -9.016 1.00 15.00 H new ATOM 187 N ALA A 377 4.659 0.411 -12.103 1.00 15.00 N ATOM 188 CA ALA A 377 4.789 -0.063 -13.490 1.00 15.00 C ATOM 189 C ALA A 377 5.445 -1.445 -13.625 1.00 15.00 C ATOM 190 O ALA A 377 5.275 -2.107 -14.645 1.00 15.00 O ATOM 191 CB ALA A 377 5.572 0.955 -14.304 1.00 15.00 C ATOM 0 H ALA A 377 5.147 1.288 -11.922 1.00 15.00 H new ATOM 0 HA ALA A 377 3.773 -0.172 -13.870 1.00 15.00 H new ATOM 0 HB1 ALA A 377 5.668 0.603 -15.331 1.00 15.00 H new ATOM 0 HB2 ALA A 377 5.046 1.910 -14.295 1.00 15.00 H new ATOM 0 HB3 ALA A 377 6.564 1.083 -13.870 1.00 15.00 H new ATOM 197 N LYS A 378 6.191 -1.884 -12.614 1.00 15.00 N ATOM 198 CA LYS A 378 6.772 -3.236 -12.629 1.00 15.00 C ATOM 199 C LYS A 378 5.673 -4.271 -12.434 1.00 15.00 C ATOM 200 O LYS A 378 5.874 -5.469 -12.643 1.00 15.00 O ATOM 201 CB LYS A 378 7.831 -3.447 -11.540 1.00 15.00 C ATOM 202 CG LYS A 378 8.834 -2.322 -11.382 1.00 15.00 C ATOM 203 CD LYS A 378 8.295 -1.260 -10.450 1.00 15.00 C ATOM 204 CE LYS A 378 9.416 -0.499 -9.762 1.00 15.00 C ATOM 205 NZ LYS A 378 8.910 0.310 -8.627 1.00 15.00 N1+ ATOM 0 H LYS A 378 6.409 -1.336 -11.782 1.00 15.00 H new ATOM 0 HA LYS A 378 7.259 -3.352 -13.597 1.00 15.00 H new ATOM 0 HB2 LYS A 378 7.323 -3.595 -10.587 1.00 15.00 H new ATOM 0 HB3 LYS A 378 8.374 -4.367 -11.758 1.00 15.00 H new ATOM 0 HG2 LYS A 378 9.772 -2.715 -10.991 1.00 15.00 H new ATOM 0 HG3 LYS A 378 9.053 -1.883 -12.355 1.00 15.00 H new ATOM 0 HD2 LYS A 378 7.673 -0.563 -11.012 1.00 15.00 H new ATOM 0 HD3 LYS A 378 7.655 -1.724 -9.699 1.00 15.00 H new ATOM 0 HE2 LYS A 378 10.167 -1.203 -9.402 1.00 15.00 H new ATOM 0 HE3 LYS A 378 9.910 0.153 -10.483 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 9.712 0.721 -8.109 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 8.304 1.074 -8.988 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 8.359 -0.297 -7.987 1.00 15.00 H new ATOM 219 N GLY A 379 4.521 -3.786 -12.007 1.00 15.00 N ATOM 220 CA GLY A 379 3.451 -4.634 -11.554 1.00 15.00 C ATOM 221 C GLY A 379 3.550 -4.889 -10.073 1.00 15.00 C ATOM 222 O GLY A 379 3.645 -6.028 -9.617 1.00 15.00 O ATOM 0 H GLY A 379 4.308 -2.789 -11.967 1.00 15.00 H new ATOM 0 HA2 GLY A 379 2.492 -4.168 -11.782 1.00 15.00 H new ATOM 0 HA3 GLY A 379 3.481 -5.582 -12.092 1.00 15.00 H new ATOM 226 N ARG A 380 3.531 -3.794 -9.328 1.00 15.00 N ATOM 227 CA ARG A 380 3.605 -3.833 -7.879 1.00 15.00 C ATOM 228 C ARG A 380 2.324 -3.258 -7.293 1.00 15.00 C ATOM 229 O ARG A 380 2.080 -2.055 -7.387 1.00 15.00 O ATOM 230 CB ARG A 380 4.810 -3.027 -7.388 1.00 15.00 C ATOM 231 CG ARG A 380 6.117 -3.411 -8.064 1.00 15.00 C ATOM 232 CD ARG A 380 6.596 -4.784 -7.627 1.00 15.00 C ATOM 233 NE ARG A 380 7.089 -4.782 -6.249 1.00 15.00 N ATOM 234 CZ ARG A 380 7.324 -5.888 -5.544 1.00 15.00 C ATOM 235 NH1 ARG A 380 7.086 -7.080 -6.078 1.00 15.00 N1+ ATOM 236 NH2 ARG A 380 7.804 -5.802 -4.311 1.00 15.00 N ATOM 0 H ARG A 380 3.464 -2.852 -9.714 1.00 15.00 H new ATOM 0 HA ARG A 380 3.722 -4.867 -7.554 1.00 15.00 H new ATOM 0 HB2 ARG A 380 4.621 -1.967 -7.558 1.00 15.00 H new ATOM 0 HB3 ARG A 380 4.914 -3.164 -6.312 1.00 15.00 H new ATOM 0 HG2 ARG A 380 5.984 -3.400 -9.146 1.00 15.00 H new ATOM 0 HG3 ARG A 380 6.880 -2.668 -7.829 1.00 15.00 H new ATOM 0 HD2 ARG A 380 5.778 -5.499 -7.718 1.00 15.00 H new ATOM 0 HD3 ARG A 380 7.389 -5.120 -8.295 1.00 15.00 H new ATOM 0 HE ARG A 380 7.263 -3.882 -5.802 1.00 15.00 H new ATOM 0 HH11 ARG A 380 6.723 -7.150 -7.029 1.00 15.00 H new ATOM 0 HH12 ARG A 380 7.266 -7.926 -5.538 1.00 15.00 H new ATOM 0 HH21 ARG A 380 7.994 -4.888 -3.900 1.00 15.00 H new ATOM 0 HH22 ARG A 380 7.983 -6.650 -3.773 1.00 15.00 H new ATOM 250 N THR A 381 1.494 -4.118 -6.728 1.00 15.00 N ATOM 251 CA THR A 381 0.218 -3.696 -6.176 1.00 15.00 C ATOM 252 C THR A 381 0.302 -3.566 -4.657 1.00 15.00 C ATOM 253 O THR A 381 0.165 -4.557 -3.942 1.00 15.00 O ATOM 254 CB THR A 381 -0.895 -4.703 -6.546 1.00 15.00 C ATOM 255 OG1 THR A 381 -0.522 -6.023 -6.120 1.00 15.00 O ATOM 256 CG2 THR A 381 -1.149 -4.713 -8.045 1.00 15.00 C ATOM 0 H THR A 381 1.682 -5.117 -6.639 1.00 15.00 H new ATOM 0 HA THR A 381 -0.024 -2.723 -6.603 1.00 15.00 H new ATOM 0 HB THR A 381 -1.810 -4.394 -6.040 1.00 15.00 H new ATOM 0 HG1 THR A 381 -0.135 -5.979 -5.221 1.00 15.00 H new ATOM 0 HG21 THR A 381 -1.937 -5.430 -8.276 1.00 15.00 H new ATOM 0 HG22 THR A 381 -1.458 -3.719 -8.368 1.00 15.00 H new ATOM 0 HG23 THR A 381 -0.235 -4.997 -8.567 1.00 15.00 H new ATOM 264 N TYR A 382 0.549 -2.360 -4.161 1.00 15.00 N ATOM 265 CA TYR A 382 0.656 -2.160 -2.726 1.00 15.00 C ATOM 266 C TYR A 382 -0.333 -1.110 -2.235 1.00 15.00 C ATOM 267 O TYR A 382 -0.427 -0.009 -2.782 1.00 15.00 O ATOM 268 CB TYR A 382 2.095 -1.797 -2.326 1.00 15.00 C ATOM 269 CG TYR A 382 2.729 -0.669 -3.119 1.00 15.00 C ATOM 270 CD1 TYR A 382 2.534 0.658 -2.757 1.00 15.00 C ATOM 271 CD2 TYR A 382 3.543 -0.935 -4.214 1.00 15.00 C ATOM 272 CE1 TYR A 382 3.127 1.687 -3.463 1.00 15.00 C ATOM 273 CE2 TYR A 382 4.143 0.089 -4.922 1.00 15.00 C ATOM 274 CZ TYR A 382 3.930 1.398 -4.544 1.00 15.00 C ATOM 275 OH TYR A 382 4.532 2.423 -5.240 1.00 15.00 O ATOM 0 H TYR A 382 0.677 -1.519 -4.723 1.00 15.00 H new ATOM 0 HA TYR A 382 0.401 -3.102 -2.241 1.00 15.00 H new ATOM 0 HB2 TYR A 382 2.102 -1.525 -1.271 1.00 15.00 H new ATOM 0 HB3 TYR A 382 2.718 -2.686 -2.430 1.00 15.00 H new ATOM 0 HD1 TYR A 382 1.907 0.889 -1.908 1.00 15.00 H new ATOM 0 HD2 TYR A 382 3.709 -1.958 -4.516 1.00 15.00 H new ATOM 0 HE1 TYR A 382 2.962 2.713 -3.169 1.00 15.00 H new ATOM 0 HE2 TYR A 382 4.776 -0.135 -5.768 1.00 15.00 H new ATOM 0 HH TYR A 382 5.066 2.051 -5.973 1.00 15.00 H new ATOM 285 N TYR A 383 -1.086 -1.476 -1.210 1.00 15.00 N ATOM 286 CA TYR A 383 -1.998 -0.550 -0.559 1.00 15.00 C ATOM 287 C TYR A 383 -1.263 0.156 0.569 1.00 15.00 C ATOM 288 O TYR A 383 -0.866 -0.486 1.540 1.00 15.00 O ATOM 289 CB TYR A 383 -3.211 -1.293 0.010 1.00 15.00 C ATOM 290 CG TYR A 383 -3.983 -2.103 -1.006 1.00 15.00 C ATOM 291 CD1 TYR A 383 -3.593 -3.397 -1.334 1.00 15.00 C ATOM 292 CD2 TYR A 383 -5.105 -1.580 -1.630 1.00 15.00 C ATOM 293 CE1 TYR A 383 -4.299 -4.143 -2.254 1.00 15.00 C ATOM 294 CE2 TYR A 383 -5.819 -2.321 -2.550 1.00 15.00 C ATOM 295 CZ TYR A 383 -5.411 -3.602 -2.859 1.00 15.00 C ATOM 296 OH TYR A 383 -6.121 -4.345 -3.773 1.00 15.00 O ATOM 0 H TYR A 383 -1.083 -2.414 -0.809 1.00 15.00 H new ATOM 0 HA TYR A 383 -2.350 0.175 -1.293 1.00 15.00 H new ATOM 0 HB2 TYR A 383 -2.874 -1.958 0.805 1.00 15.00 H new ATOM 0 HB3 TYR A 383 -3.885 -0.567 0.465 1.00 15.00 H new ATOM 0 HD1 TYR A 383 -2.722 -3.825 -0.860 1.00 15.00 H new ATOM 0 HD2 TYR A 383 -5.426 -0.576 -1.392 1.00 15.00 H new ATOM 0 HE1 TYR A 383 -3.981 -5.146 -2.499 1.00 15.00 H new ATOM 0 HE2 TYR A 383 -6.693 -1.900 -3.025 1.00 15.00 H new ATOM 0 HH TYR A 383 -6.877 -3.818 -4.106 1.00 15.00 H new ATOM 306 N VAL A 384 -1.045 1.454 0.433 1.00 15.00 N ATOM 307 CA VAL A 384 -0.315 2.197 1.451 1.00 15.00 C ATOM 308 C VAL A 384 -1.212 3.204 2.166 1.00 15.00 C ATOM 309 O VAL A 384 -1.869 4.035 1.536 1.00 15.00 O ATOM 310 CB VAL A 384 0.934 2.902 0.877 1.00 15.00 C ATOM 311 CG1 VAL A 384 2.026 1.895 0.562 1.00 15.00 C ATOM 312 CG2 VAL A 384 0.604 3.706 -0.361 1.00 15.00 C ATOM 0 H VAL A 384 -1.358 2.011 -0.362 1.00 15.00 H new ATOM 0 HA VAL A 384 0.025 1.462 2.181 1.00 15.00 H new ATOM 0 HB VAL A 384 1.294 3.590 1.642 1.00 15.00 H new ATOM 0 HG11 VAL A 384 2.895 2.415 0.159 1.00 15.00 H new ATOM 0 HG12 VAL A 384 2.309 1.368 1.473 1.00 15.00 H new ATOM 0 HG13 VAL A 384 1.659 1.178 -0.173 1.00 15.00 H new ATOM 0 HG21 VAL A 384 1.508 4.186 -0.735 1.00 15.00 H new ATOM 0 HG22 VAL A 384 0.201 3.044 -1.128 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -0.136 4.467 -0.114 1.00 15.00 H new ATOM 322 N ASN A 385 -1.232 3.111 3.488 1.00 15.00 N ATOM 323 CA ASN A 385 -2.124 3.922 4.309 1.00 15.00 C ATOM 324 C ASN A 385 -1.383 5.059 4.999 1.00 15.00 C ATOM 325 O ASN A 385 -0.402 4.835 5.710 1.00 15.00 O ATOM 326 CB ASN A 385 -2.811 3.039 5.350 1.00 15.00 C ATOM 327 CG ASN A 385 -3.772 3.811 6.236 1.00 15.00 C ATOM 328 OD1 ASN A 385 -4.288 4.860 5.854 1.00 15.00 O ATOM 329 ND2 ASN A 385 -4.029 3.290 7.424 1.00 15.00 N ATOM 0 H ASN A 385 -0.636 2.477 4.020 1.00 15.00 H new ATOM 0 HA ASN A 385 -2.870 4.367 3.651 1.00 15.00 H new ATOM 0 HB2 ASN A 385 -3.354 2.242 4.842 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -2.053 2.563 5.972 1.00 15.00 H new ATOM 0 HD21 ASN A 385 -4.675 3.760 8.058 1.00 15.00 H new ATOM 0 HD22 ASN A 385 -3.582 2.418 7.706 1.00 15.00 H new ATOM 336 N HIS A 386 -1.889 6.275 4.807 1.00 15.00 N ATOM 337 CA HIS A 386 -1.310 7.471 5.417 1.00 15.00 C ATOM 338 C HIS A 386 -1.748 7.626 6.874 1.00 15.00 C ATOM 339 O HIS A 386 -1.176 8.420 7.616 1.00 15.00 O ATOM 340 CB HIS A 386 -1.715 8.733 4.644 1.00 15.00 C ATOM 341 CG HIS A 386 -1.014 8.919 3.333 1.00 15.00 C ATOM 342 ND1 HIS A 386 0.162 9.623 3.211 1.00 15.00 N ATOM 343 CD2 HIS A 386 -1.348 8.529 2.079 1.00 15.00 C ATOM 344 CE1 HIS A 386 0.521 9.660 1.943 1.00 15.00 C ATOM 345 NE2 HIS A 386 -0.377 9.006 1.232 1.00 15.00 N ATOM 0 H HIS A 386 -2.708 6.459 4.227 1.00 15.00 H new ATOM 0 HA HIS A 386 -0.227 7.350 5.381 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -2.790 8.703 4.464 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -1.521 9.604 5.270 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -2.216 7.951 1.798 1.00 15.00 H new ATOM 0 HE1 HIS A 386 1.403 10.145 1.552 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.354 8.876 0.221 1.00 15.00 H new ATOM 354 N ASN A 387 -2.781 6.889 7.268 1.00 15.00 N ATOM 355 CA ASN A 387 -3.323 6.995 8.624 1.00 15.00 C ATOM 356 C ASN A 387 -2.314 6.488 9.651 1.00 15.00 C ATOM 357 O ASN A 387 -1.916 7.208 10.570 1.00 15.00 O ATOM 358 CB ASN A 387 -4.621 6.187 8.744 1.00 15.00 C ATOM 359 CG ASN A 387 -5.374 6.439 10.044 1.00 15.00 C ATOM 360 OD1 ASN A 387 -4.813 6.894 11.041 1.00 15.00 O ATOM 361 ND2 ASN A 387 -6.650 6.095 10.051 1.00 15.00 N ATOM 0 H ASN A 387 -3.260 6.213 6.673 1.00 15.00 H new ATOM 0 HA ASN A 387 -3.532 8.046 8.822 1.00 15.00 H new ATOM 0 HB2 ASN A 387 -5.271 6.431 7.904 1.00 15.00 H new ATOM 0 HB3 ASN A 387 -4.387 5.125 8.668 1.00 15.00 H new ATOM 0 HD21 ASN A 387 -7.203 6.203 10.901 1.00 15.00 H new ATOM 0 HD22 ASN A 387 -7.082 5.721 9.206 1.00 15.00 H new ATOM 368 N ASN A 388 -1.903 5.244 9.477 1.00 15.00 N ATOM 369 CA ASN A 388 -1.043 4.571 10.442 1.00 15.00 C ATOM 370 C ASN A 388 0.363 4.346 9.890 1.00 15.00 C ATOM 371 O ASN A 388 1.279 4.011 10.643 1.00 15.00 O ATOM 372 CB ASN A 388 -1.668 3.245 10.904 1.00 15.00 C ATOM 373 CG ASN A 388 -2.102 2.342 9.760 1.00 15.00 C ATOM 374 OD1 ASN A 388 -1.565 2.403 8.655 1.00 15.00 O ATOM 375 ND2 ASN A 388 -3.092 1.501 10.020 1.00 15.00 N ATOM 0 H ASN A 388 -2.152 4.673 8.669 1.00 15.00 H new ATOM 0 HA ASN A 388 -0.952 5.227 11.308 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -0.948 2.711 11.524 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -2.532 3.460 11.533 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -3.434 0.875 9.291 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -3.512 1.480 10.949 1.00 15.00 H new ATOM 382 N ARG A 389 0.511 4.500 8.570 1.00 15.00 N ATOM 383 CA ARG A 389 1.769 4.227 7.868 1.00 15.00 C ATOM 384 C ARG A 389 1.984 2.725 7.777 1.00 15.00 C ATOM 385 O ARG A 389 2.815 2.146 8.476 1.00 15.00 O ATOM 386 CB ARG A 389 2.978 4.917 8.519 1.00 15.00 C ATOM 387 CG ARG A 389 2.799 6.416 8.691 1.00 15.00 C ATOM 388 CD ARG A 389 3.979 7.045 9.413 1.00 15.00 C ATOM 389 NE ARG A 389 3.647 8.376 9.921 1.00 15.00 N ATOM 390 CZ ARG A 389 4.536 9.237 10.416 1.00 15.00 C ATOM 391 NH1 ARG A 389 5.829 8.932 10.440 1.00 15.00 N1+ ATOM 392 NH2 ARG A 389 4.126 10.411 10.883 1.00 15.00 N ATOM 0 H ARG A 389 -0.240 4.818 7.957 1.00 15.00 H new ATOM 0 HA ARG A 389 1.685 4.647 6.866 1.00 15.00 H new ATOM 0 HB2 ARG A 389 3.162 4.467 9.494 1.00 15.00 H new ATOM 0 HB3 ARG A 389 3.863 4.732 7.911 1.00 15.00 H new ATOM 0 HG2 ARG A 389 2.680 6.883 7.713 1.00 15.00 H new ATOM 0 HG3 ARG A 389 1.884 6.611 9.251 1.00 15.00 H new ATOM 0 HD2 ARG A 389 4.285 6.404 10.240 1.00 15.00 H new ATOM 0 HD3 ARG A 389 4.828 7.115 8.733 1.00 15.00 H new ATOM 0 HE ARG A 389 2.669 8.665 9.895 1.00 15.00 H new ATOM 0 HH11 ARG A 389 6.148 8.033 10.078 1.00 15.00 H new ATOM 0 HH12 ARG A 389 6.503 9.597 10.821 1.00 15.00 H new ATOM 0 HH21 ARG A 389 3.135 10.650 10.862 1.00 15.00 H new ATOM 0 HH22 ARG A 389 4.802 11.073 11.263 1.00 15.00 H new ATOM 406 N THR A 390 1.159 2.095 6.961 1.00 15.00 N ATOM 407 CA THR A 390 1.165 0.652 6.819 1.00 15.00 C ATOM 408 C THR A 390 0.807 0.268 5.389 1.00 15.00 C ATOM 409 O THR A 390 -0.014 0.931 4.752 1.00 15.00 O ATOM 410 CB THR A 390 0.158 0.012 7.803 1.00 15.00 C ATOM 411 OG1 THR A 390 0.603 0.206 9.152 1.00 15.00 O ATOM 412 CG2 THR A 390 -0.039 -1.474 7.530 1.00 15.00 C ATOM 0 H THR A 390 0.468 2.569 6.380 1.00 15.00 H new ATOM 0 HA THR A 390 2.164 0.282 7.049 1.00 15.00 H new ATOM 0 HB THR A 390 -0.804 0.504 7.658 1.00 15.00 H new ATOM 0 HG1 THR A 390 -0.040 -0.200 9.770 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.754 -1.883 8.244 1.00 15.00 H new ATOM 0 HG22 THR A 390 -0.419 -1.611 6.517 1.00 15.00 H new ATOM 0 HG23 THR A 390 0.914 -1.992 7.633 1.00 15.00 H new ATOM 420 N THR A 391 1.442 -0.776 4.881 1.00 15.00 N ATOM 421 CA THR A 391 1.128 -1.282 3.560 1.00 15.00 C ATOM 422 C THR A 391 0.985 -2.802 3.590 1.00 15.00 C ATOM 423 O THR A 391 1.675 -3.490 4.350 1.00 15.00 O ATOM 424 CB THR A 391 2.181 -0.846 2.519 1.00 15.00 C ATOM 425 OG1 THR A 391 1.859 -1.386 1.230 1.00 15.00 O ATOM 426 CG2 THR A 391 3.580 -1.271 2.925 1.00 15.00 C ATOM 0 H THR A 391 2.179 -1.288 5.366 1.00 15.00 H new ATOM 0 HA THR A 391 0.174 -0.851 3.256 1.00 15.00 H new ATOM 0 HB THR A 391 2.163 0.243 2.469 1.00 15.00 H new ATOM 0 HG1 THR A 391 0.913 -1.223 1.034 1.00 15.00 H new ATOM 0 HG21 THR A 391 4.293 -0.946 2.167 1.00 15.00 H new ATOM 0 HG22 THR A 391 3.835 -0.816 3.882 1.00 15.00 H new ATOM 0 HG23 THR A 391 3.618 -2.356 3.018 1.00 15.00 H new ATOM 434 N THR A 392 0.067 -3.314 2.784 1.00 15.00 N ATOM 435 CA THR A 392 -0.260 -4.729 2.796 1.00 15.00 C ATOM 436 C THR A 392 -0.718 -5.185 1.412 1.00 15.00 C ATOM 437 O THR A 392 -1.241 -4.384 0.631 1.00 15.00 O ATOM 438 CB THR A 392 -1.350 -5.033 3.849 1.00 15.00 C ATOM 439 OG1 THR A 392 -1.599 -6.444 3.924 1.00 15.00 O ATOM 440 CG2 THR A 392 -2.647 -4.301 3.534 1.00 15.00 C ATOM 0 H THR A 392 -0.467 -2.765 2.110 1.00 15.00 H new ATOM 0 HA THR A 392 0.640 -5.282 3.065 1.00 15.00 H new ATOM 0 HB THR A 392 -0.981 -4.681 4.812 1.00 15.00 H new ATOM 0 HG1 THR A 392 -2.290 -6.619 4.596 1.00 15.00 H new ATOM 0 HG21 THR A 392 -3.392 -4.537 4.294 1.00 15.00 H new ATOM 0 HG22 THR A 392 -2.465 -3.226 3.525 1.00 15.00 H new ATOM 0 HG23 THR A 392 -3.014 -4.615 2.557 1.00 15.00 H new ATOM 448 N TRP A 393 -0.468 -6.454 1.094 1.00 15.00 N ATOM 449 CA TRP A 393 -0.924 -7.030 -0.168 1.00 15.00 C ATOM 450 C TRP A 393 -2.421 -7.324 -0.101 1.00 15.00 C ATOM 451 O TRP A 393 -3.091 -7.454 -1.127 1.00 15.00 O ATOM 452 CB TRP A 393 -0.183 -8.335 -0.489 1.00 15.00 C ATOM 453 CG TRP A 393 1.312 -8.238 -0.427 1.00 15.00 C ATOM 454 CD1 TRP A 393 2.134 -8.896 0.443 1.00 15.00 C ATOM 455 CD2 TRP A 393 2.166 -7.447 -1.263 1.00 15.00 C ATOM 456 NE1 TRP A 393 3.441 -8.564 0.198 1.00 15.00 N ATOM 457 CE2 TRP A 393 3.487 -7.677 -0.839 1.00 15.00 C ATOM 458 CE3 TRP A 393 1.946 -6.569 -2.327 1.00 15.00 C ATOM 459 CZ2 TRP A 393 4.580 -7.061 -1.433 1.00 15.00 C ATOM 460 CZ3 TRP A 393 3.036 -5.958 -2.920 1.00 15.00 C ATOM 461 CH2 TRP A 393 4.339 -6.206 -2.470 1.00 15.00 C ATOM 0 H TRP A 393 0.047 -7.101 1.692 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.716 -6.302 -0.952 1.00 15.00 H new ATOM 0 HB2 TRP A 393 -0.513 -9.105 0.208 1.00 15.00 H new ATOM 0 HB3 TRP A 393 -0.471 -8.664 -1.487 1.00 15.00 H new ATOM 0 HD1 TRP A 393 1.802 -9.578 1.212 1.00 15.00 H new ATOM 0 HE1 TRP A 393 4.249 -8.922 0.708 1.00 15.00 H new ATOM 0 HE3 TRP A 393 0.945 -6.371 -2.680 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 5.585 -7.251 -1.087 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 2.880 -5.278 -3.744 1.00 15.00 H new ATOM 0 HH2 TRP A 393 5.169 -5.711 -2.953 1.00 15.00 H new ATOM 472 N THR A 394 -2.928 -7.459 1.117 1.00 15.00 N ATOM 473 CA THR A 394 -4.318 -7.823 1.335 1.00 15.00 C ATOM 474 C THR A 394 -5.238 -6.624 1.126 1.00 15.00 C ATOM 475 O THR A 394 -4.946 -5.518 1.579 1.00 15.00 O ATOM 476 CB THR A 394 -4.514 -8.389 2.760 1.00 15.00 C ATOM 477 OG1 THR A 394 -3.618 -9.491 2.971 1.00 15.00 O ATOM 478 CG2 THR A 394 -5.947 -8.855 2.982 1.00 15.00 C ATOM 0 H THR A 394 -2.392 -7.320 1.973 1.00 15.00 H new ATOM 0 HA THR A 394 -4.578 -8.591 0.607 1.00 15.00 H new ATOM 0 HB THR A 394 -4.299 -7.591 3.470 1.00 15.00 H new ATOM 0 HG1 THR A 394 -3.744 -9.846 3.876 1.00 15.00 H new ATOM 0 HG21 THR A 394 -6.049 -9.247 3.994 1.00 15.00 H new ATOM 0 HG22 THR A 394 -6.628 -8.014 2.848 1.00 15.00 H new ATOM 0 HG23 THR A 394 -6.191 -9.637 2.263 1.00 15.00 H new ATOM 486 N ARG A 395 -6.339 -6.848 0.417 1.00 15.00 N ATOM 487 CA ARG A 395 -7.323 -5.806 0.184 1.00 15.00 C ATOM 488 C ARG A 395 -8.073 -5.470 1.468 1.00 15.00 C ATOM 489 O ARG A 395 -8.703 -6.340 2.069 1.00 15.00 O ATOM 490 CB ARG A 395 -8.329 -6.237 -0.890 1.00 15.00 C ATOM 491 CG ARG A 395 -9.416 -5.203 -1.133 1.00 15.00 C ATOM 492 CD ARG A 395 -8.828 -3.923 -1.696 1.00 15.00 C ATOM 493 NE ARG A 395 -9.567 -2.732 -1.282 1.00 15.00 N ATOM 494 CZ ARG A 395 -9.518 -1.576 -1.941 1.00 15.00 C ATOM 495 NH1 ARG A 395 -8.872 -1.499 -3.097 1.00 15.00 N1+ ATOM 496 NH2 ARG A 395 -10.128 -0.503 -1.464 1.00 15.00 N ATOM 0 H ARG A 395 -6.570 -7.747 -0.006 1.00 15.00 H new ATOM 0 HA ARG A 395 -6.788 -4.921 -0.160 1.00 15.00 H new ATOM 0 HB2 ARG A 395 -7.798 -6.424 -1.823 1.00 15.00 H new ATOM 0 HB3 ARG A 395 -8.790 -7.178 -0.591 1.00 15.00 H new ATOM 0 HG2 ARG A 395 -10.156 -5.603 -1.826 1.00 15.00 H new ATOM 0 HG3 ARG A 395 -9.936 -4.989 -0.199 1.00 15.00 H new ATOM 0 HD2 ARG A 395 -7.791 -3.832 -1.374 1.00 15.00 H new ATOM 0 HD3 ARG A 395 -8.820 -3.980 -2.784 1.00 15.00 H new ATOM 0 HE ARG A 395 -10.149 -2.789 -0.447 1.00 15.00 H new ATOM 0 HH11 ARG A 395 -8.413 -2.325 -3.481 1.00 15.00 H new ATOM 0 HH12 ARG A 395 -8.834 -0.614 -3.602 1.00 15.00 H new ATOM 0 HH21 ARG A 395 -10.641 -0.557 -0.584 1.00 15.00 H new ATOM 0 HH22 ARG A 395 -10.085 0.378 -1.976 1.00 15.00 H new ATOM 510 N PRO A 396 -8.004 -4.208 1.910 1.00 15.00 N ATOM 511 CA PRO A 396 -8.804 -3.732 3.031 1.00 15.00 C ATOM 512 C PRO A 396 -10.251 -3.464 2.613 1.00 15.00 C ATOM 513 O PRO A 396 -10.509 -2.699 1.677 1.00 15.00 O ATOM 514 CB PRO A 396 -8.104 -2.436 3.442 1.00 15.00 C ATOM 515 CG PRO A 396 -7.444 -1.942 2.199 1.00 15.00 C ATOM 516 CD PRO A 396 -7.119 -3.158 1.370 1.00 15.00 C ATOM 0 HA PRO A 396 -8.868 -4.460 3.840 1.00 15.00 H new ATOM 0 HB2 PRO A 396 -8.817 -1.707 3.826 1.00 15.00 H new ATOM 0 HB3 PRO A 396 -7.374 -2.615 4.232 1.00 15.00 H new ATOM 0 HG2 PRO A 396 -8.102 -1.266 1.653 1.00 15.00 H new ATOM 0 HG3 PRO A 396 -6.539 -1.383 2.437 1.00 15.00 H new ATOM 0 HD2 PRO A 396 -7.310 -2.981 0.311 1.00 15.00 H new ATOM 0 HD3 PRO A 396 -6.069 -3.435 1.463 1.00 15.00 H new ATOM 524 N ILE A 397 -11.183 -4.139 3.269 1.00 15.00 N ATOM 525 CA ILE A 397 -12.602 -3.919 3.021 1.00 15.00 C ATOM 526 C ILE A 397 -13.130 -2.830 3.949 1.00 15.00 C ATOM 527 O ILE A 397 -13.563 -1.767 3.500 1.00 15.00 O ATOM 528 CB ILE A 397 -13.451 -5.207 3.209 1.00 15.00 C ATOM 529 CG1 ILE A 397 -13.083 -6.278 2.173 1.00 15.00 C ATOM 530 CG2 ILE A 397 -14.938 -4.886 3.112 1.00 15.00 C ATOM 531 CD1 ILE A 397 -11.811 -7.036 2.482 1.00 15.00 C ATOM 0 H ILE A 397 -10.983 -4.845 3.978 1.00 15.00 H new ATOM 0 HA ILE A 397 -12.696 -3.611 1.980 1.00 15.00 H new ATOM 0 HB ILE A 397 -13.232 -5.601 4.201 1.00 15.00 H new ATOM 0 HG12 ILE A 397 -13.905 -6.989 2.096 1.00 15.00 H new ATOM 0 HG13 ILE A 397 -12.980 -5.802 1.198 1.00 15.00 H new ATOM 0 HG21 ILE A 397 -15.517 -5.800 3.246 1.00 15.00 H new ATOM 0 HG22 ILE A 397 -15.207 -4.169 3.888 1.00 15.00 H new ATOM 0 HG23 ILE A 397 -15.155 -4.459 2.133 1.00 15.00 H new ATOM 0 HD11 ILE A 397 -11.627 -7.772 1.699 1.00 15.00 H new ATOM 0 HD12 ILE A 397 -10.974 -6.339 2.529 1.00 15.00 H new ATOM 0 HD13 ILE A 397 -11.914 -7.544 3.441 1.00 15.00 H new ATOM 543 N GLY A 398 -13.090 -3.108 5.245 1.00 15.00 N ATOM 544 CA GLY A 398 -13.557 -2.157 6.231 1.00 15.00 C ATOM 545 C GLY A 398 -12.453 -1.234 6.693 1.00 15.00 C ATOM 546 O GLY A 398 -12.754 -0.086 7.077 1.00 15.00 O ATOM 547 OXT GLY A 398 -11.278 -1.657 6.673 1.00 15.00 O ATOM 0 H GLY A 398 -12.739 -3.984 5.632 1.00 15.00 H new ATOM 0 HA2 GLY A 398 -14.370 -1.567 5.809 1.00 15.00 H new ATOM 0 HA3 GLY A 398 -13.964 -2.693 7.088 1.00 15.00 H new TER 551 GLY A 398 ATOM 552 N GLU B 203 -0.423 -12.762 -4.094 1.00 15.00 N ATOM 553 CA GLU B 203 0.869 -12.109 -4.417 1.00 15.00 C ATOM 554 C GLU B 203 2.029 -13.030 -4.056 1.00 15.00 C ATOM 555 O GLU B 203 2.928 -13.241 -4.869 1.00 15.00 O ATOM 556 CB GLU B 203 1.044 -10.771 -3.671 1.00 15.00 C ATOM 557 CG GLU B 203 0.015 -9.701 -4.019 1.00 15.00 C ATOM 558 CD GLU B 203 -1.405 -10.134 -3.733 1.00 15.00 C ATOM 559 OE1 GLU B 203 -1.681 -10.563 -2.596 1.00 15.00 O ATOM 560 OE2 GLU B 203 -2.234 -10.085 -4.659 1.00 15.00 O1- ATOM 0 HA GLU B 203 0.865 -11.907 -5.488 1.00 15.00 H new ATOM 0 HB2 GLU B 203 1.000 -10.961 -2.599 1.00 15.00 H new ATOM 0 HB3 GLU B 203 2.039 -10.380 -3.885 1.00 15.00 H new ATOM 0 HG2 GLU B 203 0.234 -8.796 -3.453 1.00 15.00 H new ATOM 0 HG3 GLU B 203 0.106 -9.447 -5.075 1.00 15.00 H new ATOM 569 N LEU B 204 2.008 -13.554 -2.820 1.00 15.00 N ATOM 570 CA LEU B 204 3.079 -14.425 -2.310 1.00 15.00 C ATOM 571 C LEU B 204 4.401 -13.668 -2.221 1.00 15.00 C ATOM 572 O LEU B 204 5.468 -14.260 -2.063 1.00 15.00 O ATOM 573 CB LEU B 204 3.239 -15.682 -3.179 1.00 15.00 C ATOM 574 CG LEU B 204 2.314 -16.853 -2.826 1.00 15.00 C ATOM 575 CD1 LEU B 204 2.524 -17.280 -1.382 1.00 15.00 C ATOM 576 CD2 LEU B 204 0.858 -16.493 -3.066 1.00 15.00 C ATOM 0 H LEU B 204 1.256 -13.388 -2.152 1.00 15.00 H new ATOM 0 HA LEU B 204 2.794 -14.742 -1.307 1.00 15.00 H new ATOM 0 HB2 LEU B 204 3.067 -15.407 -4.220 1.00 15.00 H new ATOM 0 HB3 LEU B 204 4.272 -16.023 -3.106 1.00 15.00 H new ATOM 0 HG LEU B 204 2.566 -17.689 -3.478 1.00 15.00 H new ATOM 0 HD11 LEU B 204 1.860 -18.112 -1.148 1.00 15.00 H new ATOM 0 HD12 LEU B 204 3.559 -17.592 -1.242 1.00 15.00 H new ATOM 0 HD13 LEU B 204 2.304 -16.443 -0.719 1.00 15.00 H new ATOM 0 HD21 LEU B 204 0.226 -17.342 -2.807 1.00 15.00 H new ATOM 0 HD22 LEU B 204 0.588 -15.637 -2.447 1.00 15.00 H new ATOM 0 HD23 LEU B 204 0.714 -16.240 -4.117 1.00 15.00 H new ATOM 588 N GLU B 205 4.304 -12.352 -2.280 1.00 15.00 N ATOM 589 CA GLU B 205 5.460 -11.483 -2.201 1.00 15.00 C ATOM 590 C GLU B 205 5.824 -11.210 -0.752 1.00 15.00 C ATOM 591 O GLU B 205 4.950 -11.154 0.118 1.00 15.00 O ATOM 592 CB GLU B 205 5.156 -10.162 -2.904 1.00 15.00 C ATOM 593 CG GLU B 205 5.204 -10.246 -4.417 1.00 15.00 C ATOM 594 CD GLU B 205 6.618 -10.406 -4.935 1.00 15.00 C ATOM 595 OE1 GLU B 205 7.365 -9.410 -4.937 1.00 15.00 O1- ATOM 596 OE2 GLU B 205 6.991 -11.526 -5.338 1.00 15.00 O ATOM 0 H GLU B 205 3.419 -11.857 -2.384 1.00 15.00 H new ATOM 0 HA GLU B 205 6.301 -11.977 -2.688 1.00 15.00 H new ATOM 0 HB2 GLU B 205 4.167 -9.819 -2.600 1.00 15.00 H new ATOM 0 HB3 GLU B 205 5.871 -9.410 -2.569 1.00 15.00 H new ATOM 0 HG2 GLU B 205 4.598 -11.088 -4.752 1.00 15.00 H new ATOM 0 HG3 GLU B 205 4.762 -9.346 -4.844 1.00 15.00 H new ATOM 603 N SER B 206 7.113 -11.037 -0.502 1.00 15.00 N ATOM 604 CA SER B 206 7.589 -10.587 0.795 1.00 15.00 C ATOM 605 C SER B 206 6.925 -9.252 1.142 1.00 15.00 C ATOM 606 O SER B 206 6.549 -8.504 0.241 1.00 15.00 O ATOM 607 CB SER B 206 9.110 -10.437 0.747 1.00 15.00 C ATOM 608 OG SER B 206 9.725 -11.641 0.308 1.00 15.00 O ATOM 0 H SER B 206 7.851 -11.203 -1.186 1.00 15.00 H new ATOM 0 HA SER B 206 7.332 -11.315 1.564 1.00 15.00 H new ATOM 0 HB2 SER B 206 9.378 -9.621 0.075 1.00 15.00 H new ATOM 0 HB3 SER B 206 9.485 -10.172 1.736 1.00 15.00 H new ATOM 0 HG SER B 206 10.697 -11.522 0.283 1.00 15.00 H new ATOM 614 N PRO B 207 6.796 -8.927 2.440 1.00 15.00 N ATOM 615 CA PRO B 207 6.088 -7.719 2.896 1.00 15.00 C ATOM 616 C PRO B 207 6.526 -6.456 2.150 1.00 15.00 C ATOM 617 O PRO B 207 7.723 -6.237 1.945 1.00 15.00 O ATOM 618 CB PRO B 207 6.486 -7.625 4.365 1.00 15.00 C ATOM 619 CG PRO B 207 6.727 -9.034 4.771 1.00 15.00 C ATOM 620 CD PRO B 207 7.310 -9.721 3.569 1.00 15.00 C ATOM 0 HA PRO B 207 5.014 -7.788 2.722 1.00 15.00 H new ATOM 0 HB2 PRO B 207 7.379 -7.015 4.497 1.00 15.00 H new ATOM 0 HB3 PRO B 207 5.697 -7.168 4.962 1.00 15.00 H new ATOM 0 HG2 PRO B 207 7.411 -9.084 5.618 1.00 15.00 H new ATOM 0 HG3 PRO B 207 5.799 -9.514 5.082 1.00 15.00 H new ATOM 0 HD2 PRO B 207 8.400 -9.723 3.596 1.00 15.00 H new ATOM 0 HD3 PRO B 207 6.991 -10.761 3.507 1.00 15.00 H new ATOM 628 N PRO B 208 5.554 -5.618 1.723 1.00 15.00 N ATOM 629 CA PRO B 208 5.824 -4.408 0.935 1.00 15.00 C ATOM 630 C PRO B 208 6.883 -3.500 1.546 1.00 15.00 C ATOM 631 O PRO B 208 7.067 -3.462 2.766 1.00 15.00 O ATOM 632 CB PRO B 208 4.481 -3.689 0.921 1.00 15.00 C ATOM 633 CG PRO B 208 3.487 -4.772 1.041 1.00 15.00 C ATOM 634 CD PRO B 208 4.104 -5.781 1.965 1.00 15.00 C ATOM 0 HA PRO B 208 6.216 -4.667 -0.049 1.00 15.00 H new ATOM 0 HB2 PRO B 208 4.400 -2.981 1.746 1.00 15.00 H new ATOM 0 HB3 PRO B 208 4.343 -3.122 0.000 1.00 15.00 H new ATOM 0 HG2 PRO B 208 2.545 -4.398 1.441 1.00 15.00 H new ATOM 0 HG3 PRO B 208 3.267 -5.213 0.069 1.00 15.00 H new ATOM 0 HD2 PRO B 208 3.845 -5.586 3.006 1.00 15.00 H new ATOM 0 HD3 PRO B 208 3.769 -6.793 1.738 1.00 15.00 H new ATOM 642 N PRO B 209 7.558 -2.735 0.681 1.00 15.00 N ATOM 643 CA PRO B 209 8.606 -1.788 1.076 1.00 15.00 C ATOM 644 C PRO B 209 8.155 -0.865 2.213 1.00 15.00 C ATOM 645 O PRO B 209 7.048 -0.324 2.172 1.00 15.00 O ATOM 646 CB PRO B 209 8.845 -0.999 -0.214 1.00 15.00 C ATOM 647 CG PRO B 209 8.511 -1.965 -1.293 1.00 15.00 C ATOM 648 CD PRO B 209 7.335 -2.729 -0.778 1.00 15.00 C ATOM 0 HA PRO B 209 9.498 -2.282 1.463 1.00 15.00 H new ATOM 0 HB2 PRO B 209 8.213 -0.112 -0.262 1.00 15.00 H new ATOM 0 HB3 PRO B 209 9.878 -0.659 -0.288 1.00 15.00 H new ATOM 0 HG2 PRO B 209 8.270 -1.450 -2.223 1.00 15.00 H new ATOM 0 HG3 PRO B 209 9.351 -2.627 -1.503 1.00 15.00 H new ATOM 0 HD2 PRO B 209 6.394 -2.247 -1.041 1.00 15.00 H new ATOM 0 HD3 PRO B 209 7.300 -3.739 -1.185 1.00 15.00 H new ATOM 656 N PRO B 210 9.013 -0.680 3.243 1.00 15.00 N ATOM 657 CA PRO B 210 8.684 0.122 4.431 1.00 15.00 C ATOM 658 C PRO B 210 8.106 1.493 4.093 1.00 15.00 C ATOM 659 O PRO B 210 8.748 2.314 3.431 1.00 15.00 O ATOM 660 CB PRO B 210 10.031 0.280 5.136 1.00 15.00 C ATOM 661 CG PRO B 210 10.817 -0.913 4.726 1.00 15.00 C ATOM 662 CD PRO B 210 10.373 -1.252 3.328 1.00 15.00 C ATOM 0 HA PRO B 210 7.915 -0.362 5.033 1.00 15.00 H new ATOM 0 HB2 PRO B 210 10.528 1.203 4.837 1.00 15.00 H new ATOM 0 HB3 PRO B 210 9.909 0.320 6.218 1.00 15.00 H new ATOM 0 HG2 PRO B 210 11.886 -0.703 4.754 1.00 15.00 H new ATOM 0 HG3 PRO B 210 10.639 -1.748 5.404 1.00 15.00 H new ATOM 0 HD2 PRO B 210 11.037 -0.818 2.581 1.00 15.00 H new ATOM 0 HD3 PRO B 210 10.365 -2.329 3.161 1.00 15.00 H new ATOM 670 N TYR B 211 6.890 1.731 4.554 1.00 15.00 N ATOM 671 CA TYR B 211 6.196 2.974 4.280 1.00 15.00 C ATOM 672 C TYR B 211 6.538 4.016 5.336 1.00 15.00 C ATOM 673 O TYR B 211 6.192 3.860 6.507 1.00 15.00 O ATOM 674 CB TYR B 211 4.687 2.735 4.247 1.00 15.00 C ATOM 675 CG TYR B 211 3.902 3.866 3.626 1.00 15.00 C ATOM 676 CD1 TYR B 211 4.087 4.198 2.292 1.00 15.00 C ATOM 677 CD2 TYR B 211 2.965 4.584 4.359 1.00 15.00 C ATOM 678 CE1 TYR B 211 3.363 5.211 1.704 1.00 15.00 C ATOM 679 CE2 TYR B 211 2.237 5.607 3.775 1.00 15.00 C ATOM 680 CZ TYR B 211 2.442 5.913 2.448 1.00 15.00 C ATOM 681 OH TYR B 211 1.711 6.912 1.853 1.00 15.00 O ATOM 0 H TYR B 211 6.360 1.072 5.125 1.00 15.00 H new ATOM 0 HA TYR B 211 6.517 3.346 3.307 1.00 15.00 H new ATOM 0 HB2 TYR B 211 4.486 1.819 3.692 1.00 15.00 H new ATOM 0 HB3 TYR B 211 4.332 2.575 5.265 1.00 15.00 H new ATOM 0 HD1 TYR B 211 4.811 3.653 1.705 1.00 15.00 H new ATOM 0 HD2 TYR B 211 2.802 4.341 5.399 1.00 15.00 H new ATOM 0 HE1 TYR B 211 3.517 5.454 0.663 1.00 15.00 H new ATOM 0 HE2 TYR B 211 1.514 6.161 4.356 1.00 15.00 H new ATOM 0 HH TYR B 211 0.760 6.783 2.050 1.00 15.00 H new ATOM 691 N SER B 212 7.239 5.063 4.928 1.00 15.00 N ATOM 692 CA SER B 212 7.593 6.130 5.848 1.00 15.00 C ATOM 693 C SER B 212 6.649 7.320 5.673 1.00 15.00 C ATOM 694 O SER B 212 5.748 7.529 6.485 1.00 15.00 O ATOM 695 CB SER B 212 9.045 6.549 5.613 1.00 15.00 C ATOM 696 OG SER B 212 9.901 5.418 5.636 1.00 15.00 O ATOM 0 H SER B 212 7.571 5.195 3.973 1.00 15.00 H new ATOM 0 HA SER B 212 7.493 5.769 6.872 1.00 15.00 H new ATOM 0 HB2 SER B 212 9.131 7.058 4.653 1.00 15.00 H new ATOM 0 HB3 SER B 212 9.353 7.260 6.380 1.00 15.00 H new ATOM 0 HG SER B 212 10.826 5.704 5.482 1.00 15.00 H new ATOM 702 N ARG B 213 6.838 8.077 4.600 1.00 15.00 N ATOM 703 CA ARG B 213 5.966 9.211 4.304 1.00 15.00 C ATOM 704 C ARG B 213 5.275 9.044 2.951 1.00 15.00 C ATOM 705 O ARG B 213 4.057 9.185 2.843 1.00 15.00 O ATOM 706 CB ARG B 213 6.758 10.522 4.330 1.00 15.00 C ATOM 707 CG ARG B 213 7.332 10.865 5.697 1.00 15.00 C ATOM 708 CD ARG B 213 8.221 12.099 5.634 1.00 15.00 C ATOM 709 NE ARG B 213 7.499 13.279 5.158 1.00 15.00 N ATOM 710 CZ ARG B 213 7.949 14.088 4.200 1.00 15.00 C ATOM 711 NH1 ARG B 213 9.104 13.831 3.601 1.00 15.00 N1+ ATOM 712 NH2 ARG B 213 7.238 15.144 3.834 1.00 15.00 N ATOM 0 H ARG B 213 7.584 7.929 3.921 1.00 15.00 H new ATOM 0 HA ARG B 213 5.198 9.246 5.077 1.00 15.00 H new ATOM 0 HB2 ARG B 213 7.573 10.458 3.610 1.00 15.00 H new ATOM 0 HB3 ARG B 213 6.109 11.335 4.005 1.00 15.00 H new ATOM 0 HG2 ARG B 213 6.519 11.037 6.402 1.00 15.00 H new ATOM 0 HG3 ARG B 213 7.907 10.019 6.074 1.00 15.00 H new ATOM 0 HD2 ARG B 213 8.630 12.301 6.624 1.00 15.00 H new ATOM 0 HD3 ARG B 213 9.066 11.902 4.974 1.00 15.00 H new ATOM 0 HE ARG B 213 6.598 13.495 5.585 1.00 15.00 H new ATOM 0 HH11 ARG B 213 9.649 13.013 3.874 1.00 15.00 H new ATOM 0 HH12 ARG B 213 9.447 14.451 2.868 1.00 15.00 H new ATOM 0 HH21 ARG B 213 6.345 15.339 4.286 1.00 15.00 H new ATOM 0 HH22 ARG B 213 7.584 15.762 3.100 1.00 15.00 H new ATOM 726 N TYR B 214 6.062 8.763 1.918 1.00 15.00 N ATOM 727 CA TYR B 214 5.537 8.609 0.571 1.00 15.00 C ATOM 728 C TYR B 214 5.828 7.201 0.052 1.00 15.00 C ATOM 729 O TYR B 214 6.833 6.598 0.428 1.00 15.00 O ATOM 730 CB TYR B 214 6.158 9.668 -0.348 1.00 15.00 C ATOM 731 CG TYR B 214 5.850 11.087 0.081 1.00 15.00 C ATOM 732 CD1 TYR B 214 4.588 11.636 -0.117 1.00 15.00 C ATOM 733 CD2 TYR B 214 6.817 11.874 0.695 1.00 15.00 C ATOM 734 CE1 TYR B 214 4.301 12.929 0.281 1.00 15.00 C ATOM 735 CE2 TYR B 214 6.535 13.166 1.097 1.00 15.00 C ATOM 736 CZ TYR B 214 5.277 13.688 0.886 1.00 15.00 C ATOM 737 OH TYR B 214 4.990 14.973 1.289 1.00 15.00 O ATOM 0 H TYR B 214 7.072 8.637 1.992 1.00 15.00 H new ATOM 0 HA TYR B 214 4.456 8.750 0.585 1.00 15.00 H new ATOM 0 HB2 TYR B 214 7.239 9.529 -0.372 1.00 15.00 H new ATOM 0 HB3 TYR B 214 5.794 9.516 -1.364 1.00 15.00 H new ATOM 0 HD1 TYR B 214 3.819 11.043 -0.589 1.00 15.00 H new ATOM 0 HD2 TYR B 214 7.805 11.470 0.861 1.00 15.00 H new ATOM 0 HE1 TYR B 214 3.316 13.341 0.118 1.00 15.00 H new ATOM 0 HE2 TYR B 214 7.297 13.764 1.574 1.00 15.00 H new ATOM 0 HH TYR B 214 5.785 15.373 1.699 1.00 15.00 H new ATOM 747 N PRO B 215 4.961 6.666 -0.827 1.00 15.00 N ATOM 748 CA PRO B 215 5.110 5.302 -1.352 1.00 15.00 C ATOM 749 C PRO B 215 6.302 5.172 -2.298 1.00 15.00 C ATOM 750 O PRO B 215 6.502 6.003 -3.187 1.00 15.00 O ATOM 751 CB PRO B 215 3.798 5.065 -2.107 1.00 15.00 C ATOM 752 CG PRO B 215 3.317 6.426 -2.475 1.00 15.00 C ATOM 753 CD PRO B 215 3.767 7.340 -1.370 1.00 15.00 C ATOM 0 HA PRO B 215 5.296 4.578 -0.559 1.00 15.00 H new ATOM 0 HB2 PRO B 215 3.957 4.449 -2.992 1.00 15.00 H new ATOM 0 HB3 PRO B 215 3.071 4.544 -1.483 1.00 15.00 H new ATOM 0 HG2 PRO B 215 3.731 6.740 -3.433 1.00 15.00 H new ATOM 0 HG3 PRO B 215 2.232 6.442 -2.576 1.00 15.00 H new ATOM 0 HD2 PRO B 215 4.004 8.336 -1.745 1.00 15.00 H new ATOM 0 HD3 PRO B 215 2.995 7.461 -0.610 1.00 15.00 H new ATOM 761 N MET B 216 7.084 4.119 -2.104 1.00 15.00 N ATOM 762 CA MET B 216 8.291 3.903 -2.888 1.00 15.00 C ATOM 763 C MET B 216 8.561 2.406 -3.057 1.00 15.00 C ATOM 764 O MET B 216 8.670 1.673 -2.074 1.00 15.00 O ATOM 765 CB MET B 216 9.486 4.591 -2.209 1.00 15.00 C ATOM 766 CG MET B 216 9.764 4.096 -0.795 1.00 15.00 C ATOM 767 SD MET B 216 11.030 5.060 0.054 1.00 15.00 S ATOM 768 CE MET B 216 10.193 6.635 0.220 1.00 15.00 C ATOM 0 H MET B 216 6.902 3.398 -1.406 1.00 15.00 H new ATOM 0 HA MET B 216 8.149 4.338 -3.878 1.00 15.00 H new ATOM 0 HB2 MET B 216 10.376 4.436 -2.819 1.00 15.00 H new ATOM 0 HB3 MET B 216 9.304 5.665 -2.178 1.00 15.00 H new ATOM 0 HG2 MET B 216 8.841 4.130 -0.216 1.00 15.00 H new ATOM 0 HG3 MET B 216 10.077 3.053 -0.836 1.00 15.00 H new ATOM 0 HE1 MET B 216 10.737 7.397 -0.339 1.00 15.00 H new ATOM 0 HE2 MET B 216 9.179 6.552 -0.172 1.00 15.00 H new ATOM 0 HE3 MET B 216 10.153 6.916 1.272 1.00 15.00 H new ATOM 778 N ASP B 217 8.661 1.956 -4.299 1.00 15.00 N ATOM 779 CA ASP B 217 8.952 0.554 -4.582 1.00 15.00 C ATOM 780 C ASP B 217 10.303 0.429 -5.278 1.00 15.00 C ATOM 781 O ASP B 217 10.387 0.726 -6.490 1.00 15.00 O ATOM 782 CB ASP B 217 7.840 -0.066 -5.437 1.00 15.00 C ATOM 783 CG ASP B 217 8.119 -1.510 -5.820 1.00 15.00 C ATOM 784 OD1 ASP B 217 7.904 -2.416 -4.983 1.00 15.00 O1- ATOM 785 OD2 ASP B 217 8.540 -1.748 -6.970 1.00 15.00 O ATOM 786 OXT ASP B 217 11.288 0.072 -4.597 1.00 15.00 O ATOM 0 H ASP B 217 8.545 2.539 -5.128 1.00 15.00 H new ATOM 0 HA ASP B 217 8.996 0.009 -3.639 1.00 15.00 H new ATOM 0 HB2 ASP B 217 6.899 -0.017 -4.890 1.00 15.00 H new ATOM 0 HB3 ASP B 217 7.713 0.526 -6.343 1.00 15.00 H new TER 791 ASP B 217