USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 287 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 -134:sc= 1.36 USER MOD Set 1.2: A 394 THR OG1 : rot 180:sc= 1.1 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ 149:sc= -3.57! (180deg=-4.54!) USER MOD Single : A 378 LYS NZ :NH3+ 165:sc= 0.224 (180deg=0.153) USER MOD Single : A 381 THR OG1 : rot -130:sc= -0.166 USER MOD Single : A 382 TYR OH : rot 78:sc= 2.12 USER MOD Single : A 383 TYR OH : rot 165:sc= 0.681 USER MOD Single : A 385 ASN :FLIP amide:sc= -6.06! C(o=-6.8!,f=-6.1!) USER MOD Single : A 386 HIS : no HD1:sc= -7.13! C(o=-7.1!,f=-12!) USER MOD Single : A 387 ASN :FLIP amide:sc= -0.483 F(o=-1.1!,f=-0.48) USER MOD Single : A 388 ASN :FLIP amide:sc= -0.0835 F(o=-1.2,f=-0.083) USER MOD Single : A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 81:sc= -0.709! USER MOD Single : B 184 TYR OH : rot -165:sc= -3.95! USER MOD Single : B 186 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 368 8.052 -2.783 2.876 1.00 15.00 N ATOM 28 CA PRO A 368 8.267 -2.664 4.296 1.00 15.00 C ATOM 29 C PRO A 368 7.321 -3.572 5.071 1.00 15.00 C ATOM 30 O PRO A 368 6.101 -3.546 4.881 1.00 15.00 O ATOM 31 CB PRO A 368 7.924 -1.207 4.566 1.00 15.00 C ATOM 32 CG PRO A 368 6.820 -0.936 3.614 1.00 15.00 C ATOM 33 CD PRO A 368 7.131 -1.757 2.388 1.00 15.00 C ATOM 0 HA PRO A 368 9.275 -2.947 4.599 1.00 15.00 H new ATOM 0 HB2 PRO A 368 7.612 -1.052 5.599 1.00 15.00 H new ATOM 0 HB3 PRO A 368 8.778 -0.553 4.389 1.00 15.00 H new ATOM 0 HG2 PRO A 368 5.857 -1.217 4.040 1.00 15.00 H new ATOM 0 HG3 PRO A 368 6.763 0.125 3.371 1.00 15.00 H new ATOM 0 HD2 PRO A 368 6.229 -2.199 1.964 1.00 15.00 H new ATOM 0 HD3 PRO A 368 7.587 -1.150 1.606 1.00 15.00 H new ATOM 41 N SER A 369 7.890 -4.369 5.932 1.00 15.00 N ATOM 42 CA SER A 369 7.127 -5.312 6.724 1.00 15.00 C ATOM 43 C SER A 369 6.278 -4.564 7.755 1.00 15.00 C ATOM 44 O SER A 369 6.815 -3.885 8.632 1.00 15.00 O ATOM 45 CB SER A 369 8.085 -6.255 7.431 1.00 15.00 C ATOM 46 OG SER A 369 8.945 -6.889 6.496 1.00 15.00 O ATOM 0 H SER A 369 8.894 -4.389 6.109 1.00 15.00 H new ATOM 0 HA SER A 369 6.464 -5.882 6.073 1.00 15.00 H new ATOM 0 HB2 SER A 369 8.677 -5.701 8.160 1.00 15.00 H new ATOM 0 HB3 SER A 369 7.522 -7.007 7.983 1.00 15.00 H new ATOM 0 HG SER A 369 9.556 -7.491 6.970 1.00 15.00 H new ATOM 52 N GLY A 370 4.958 -4.659 7.634 1.00 15.00 N ATOM 53 CA GLY A 370 4.088 -3.914 8.507 1.00 15.00 C ATOM 54 C GLY A 370 2.935 -3.352 7.725 1.00 15.00 C ATOM 55 O GLY A 370 1.942 -2.892 8.288 1.00 15.00 O ATOM 0 H GLY A 370 4.481 -5.240 6.945 1.00 15.00 H new ATOM 0 HA2 GLY A 370 3.718 -4.560 9.303 1.00 15.00 H new ATOM 0 HA3 GLY A 370 4.643 -3.106 8.984 1.00 15.00 H new ATOM 59 N TRP A 371 3.116 -3.294 6.412 1.00 15.00 N ATOM 60 CA TRP A 371 2.037 -3.043 5.505 1.00 15.00 C ATOM 61 C TRP A 371 1.815 -4.260 4.623 1.00 15.00 C ATOM 62 O TRP A 371 2.748 -5.020 4.362 1.00 15.00 O ATOM 63 CB TRP A 371 2.383 -1.879 4.598 1.00 15.00 C ATOM 64 CG TRP A 371 3.035 -0.699 5.255 1.00 15.00 C ATOM 65 CD1 TRP A 371 3.776 -0.650 6.394 1.00 15.00 C ATOM 66 CD2 TRP A 371 2.989 0.616 4.762 1.00 15.00 C ATOM 67 NE1 TRP A 371 4.218 0.622 6.614 1.00 15.00 N ATOM 68 CE2 TRP A 371 3.732 1.434 5.619 1.00 15.00 C ATOM 69 CE3 TRP A 371 2.378 1.153 3.664 1.00 15.00 C ATOM 70 CZ2 TRP A 371 3.878 2.803 5.392 1.00 15.00 C ATOM 71 CZ3 TRP A 371 2.501 2.514 3.421 1.00 15.00 C ATOM 72 CH2 TRP A 371 3.250 3.328 4.289 1.00 15.00 C ATOM 0 H TRP A 371 4.021 -3.422 5.959 1.00 15.00 H new ATOM 0 HA TRP A 371 1.143 -2.820 6.088 1.00 15.00 H new ATOM 0 HB2 TRP A 371 3.045 -2.242 3.812 1.00 15.00 H new ATOM 0 HB3 TRP A 371 1.468 -1.539 4.113 1.00 15.00 H new ATOM 0 HD1 TRP A 371 3.985 -1.496 7.032 1.00 15.00 H new ATOM 0 HE1 TRP A 371 4.811 0.920 7.389 1.00 15.00 H new ATOM 0 HE3 TRP A 371 1.807 0.527 2.994 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 4.461 3.424 6.056 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 2.018 2.951 2.559 1.00 15.00 H new ATOM 0 HH2 TRP A 371 3.333 4.385 4.085 1.00 15.00 H new ATOM 83 N GLU A 372 0.598 -4.426 4.138 1.00 15.00 N ATOM 84 CA GLU A 372 0.350 -5.411 3.097 1.00 15.00 C ATOM 85 C GLU A 372 0.262 -4.672 1.771 1.00 15.00 C ATOM 86 O GLU A 372 -0.120 -3.499 1.748 1.00 15.00 O ATOM 87 CB GLU A 372 -0.935 -6.231 3.343 1.00 15.00 C ATOM 88 CG GLU A 372 -1.134 -6.673 4.783 1.00 15.00 C ATOM 89 CD GLU A 372 0.083 -7.353 5.371 1.00 15.00 C ATOM 90 OE1 GLU A 372 0.490 -8.416 4.863 1.00 15.00 O1- ATOM 91 OE2 GLU A 372 0.635 -6.824 6.361 1.00 15.00 O ATOM 0 H GLU A 372 -0.223 -3.902 4.441 1.00 15.00 H new ATOM 0 HA GLU A 372 1.169 -6.130 3.094 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.795 -5.636 3.037 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -0.915 -7.114 2.705 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -1.386 -5.804 5.391 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -1.983 -7.355 4.833 1.00 15.00 H new ATOM 98 N GLU A 373 0.636 -5.316 0.678 1.00 15.00 N ATOM 99 CA GLU A 373 0.558 -4.655 -0.610 1.00 15.00 C ATOM 100 C GLU A 373 -0.206 -5.471 -1.616 1.00 15.00 C ATOM 101 O GLU A 373 -0.202 -6.708 -1.594 1.00 15.00 O ATOM 102 CB GLU A 373 1.911 -4.293 -1.205 1.00 15.00 C ATOM 103 CG GLU A 373 2.731 -5.465 -1.727 1.00 15.00 C ATOM 104 CD GLU A 373 2.908 -5.415 -3.238 1.00 15.00 C ATOM 105 OE1 GLU A 373 3.801 -4.683 -3.716 1.00 15.00 O ATOM 106 OE2 GLU A 373 2.153 -6.104 -3.957 1.00 15.00 O1- ATOM 0 H GLU A 373 0.988 -6.273 0.656 1.00 15.00 H new ATOM 0 HA GLU A 373 0.027 -3.726 -0.401 1.00 15.00 H new ATOM 0 HB2 GLU A 373 1.753 -3.590 -2.023 1.00 15.00 H new ATOM 0 HB3 GLU A 373 2.495 -3.773 -0.446 1.00 15.00 H new ATOM 0 HG2 GLU A 373 3.710 -5.463 -1.248 1.00 15.00 H new ATOM 0 HG3 GLU A 373 2.243 -6.400 -1.451 1.00 15.00 H new ATOM 113 N ARG A 374 -0.817 -4.756 -2.518 1.00 15.00 N ATOM 114 CA ARG A 374 -1.610 -5.356 -3.571 1.00 15.00 C ATOM 115 C ARG A 374 -1.407 -4.599 -4.869 1.00 15.00 C ATOM 116 O ARG A 374 -1.766 -3.425 -4.984 1.00 15.00 O ATOM 117 CB ARG A 374 -3.098 -5.403 -3.217 1.00 15.00 C ATOM 118 CG ARG A 374 -3.442 -6.486 -2.210 1.00 15.00 C ATOM 119 CD ARG A 374 -4.931 -6.779 -2.189 1.00 15.00 C ATOM 120 NE ARG A 374 -5.723 -5.634 -1.763 1.00 15.00 N ATOM 121 CZ ARG A 374 -6.905 -5.317 -2.284 1.00 15.00 C ATOM 122 NH1 ARG A 374 -7.426 -6.060 -3.254 1.00 15.00 N1+ ATOM 123 NH2 ARG A 374 -7.570 -4.261 -1.836 1.00 15.00 N ATOM 0 H ARG A 374 -0.783 -3.737 -2.550 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.271 -6.385 -3.690 1.00 15.00 H new ATOM 0 HB2 ARG A 374 -3.400 -4.435 -2.817 1.00 15.00 H new ATOM 0 HB3 ARG A 374 -3.676 -5.566 -4.127 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -2.895 -7.397 -2.454 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -3.118 -6.176 -1.217 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -5.251 -7.086 -3.185 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -5.123 -7.618 -1.520 1.00 15.00 H new ATOM 0 HE ARG A 374 -5.350 -5.041 -1.022 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -6.920 -6.875 -3.600 1.00 15.00 H new ATOM 0 HH12 ARG A 374 -8.333 -5.816 -3.653 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -7.175 -3.689 -1.090 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -8.476 -4.021 -2.238 1.00 15.00 H new ATOM 137 N LYS A 375 -0.803 -5.265 -5.834 1.00 15.00 N ATOM 138 CA LYS A 375 -0.582 -4.681 -7.135 1.00 15.00 C ATOM 139 C LYS A 375 -1.733 -5.085 -8.048 1.00 15.00 C ATOM 140 O LYS A 375 -1.775 -6.213 -8.543 1.00 15.00 O ATOM 141 CB LYS A 375 0.764 -5.163 -7.678 1.00 15.00 C ATOM 142 CG LYS A 375 1.406 -4.235 -8.690 1.00 15.00 C ATOM 143 CD LYS A 375 2.917 -4.442 -8.759 1.00 15.00 C ATOM 144 CE LYS A 375 3.619 -4.044 -7.458 1.00 15.00 C ATOM 145 NZ LYS A 375 3.483 -5.072 -6.385 1.00 15.00 N1+ ATOM 0 H LYS A 375 -0.455 -6.219 -5.736 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.551 -3.593 -7.077 1.00 15.00 H new ATOM 0 HB2 LYS A 375 1.450 -5.298 -6.842 1.00 15.00 H new ATOM 0 HB3 LYS A 375 0.626 -6.141 -8.138 1.00 15.00 H new ATOM 0 HG2 LYS A 375 0.969 -4.409 -9.673 1.00 15.00 H new ATOM 0 HG3 LYS A 375 1.191 -3.200 -8.424 1.00 15.00 H new ATOM 0 HD2 LYS A 375 3.128 -5.489 -8.977 1.00 15.00 H new ATOM 0 HD3 LYS A 375 3.324 -3.856 -9.583 1.00 15.00 H new ATOM 0 HE2 LYS A 375 4.677 -3.874 -7.659 1.00 15.00 H new ATOM 0 HE3 LYS A 375 3.207 -3.099 -7.103 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 4.326 -5.052 -5.776 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 2.638 -4.868 -5.814 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 3.390 -6.014 -6.816 1.00 15.00 H new ATOM 159 N ASP A 376 -2.704 -4.194 -8.210 1.00 15.00 N ATOM 160 CA ASP A 376 -3.918 -4.534 -8.936 1.00 15.00 C ATOM 161 C ASP A 376 -3.772 -4.166 -10.409 1.00 15.00 C ATOM 162 O ASP A 376 -3.238 -3.101 -10.739 1.00 15.00 O ATOM 163 CB ASP A 376 -5.125 -3.811 -8.328 1.00 15.00 C ATOM 164 CG ASP A 376 -6.446 -4.370 -8.829 1.00 15.00 C ATOM 165 OD1 ASP A 376 -6.816 -4.087 -9.984 1.00 15.00 O ATOM 166 OD2 ASP A 376 -7.120 -5.097 -8.062 1.00 15.00 O1- ATOM 0 H ASP A 376 -2.674 -3.240 -7.852 1.00 15.00 H new ATOM 0 HA ASP A 376 -4.080 -5.609 -8.857 1.00 15.00 H new ATOM 0 HB2 ASP A 376 -5.086 -3.895 -7.242 1.00 15.00 H new ATOM 0 HB3 ASP A 376 -5.068 -2.749 -8.568 1.00 15.00 H new ATOM 171 N ALA A 377 -4.292 -5.020 -11.289 1.00 15.00 N ATOM 172 CA ALA A 377 -4.131 -4.849 -12.727 1.00 15.00 C ATOM 173 C ALA A 377 -4.970 -3.696 -13.274 1.00 15.00 C ATOM 174 O ALA A 377 -5.023 -3.486 -14.486 1.00 15.00 O ATOM 175 CB ALA A 377 -4.483 -6.141 -13.445 1.00 15.00 C ATOM 0 H ALA A 377 -4.833 -5.844 -11.025 1.00 15.00 H new ATOM 0 HA ALA A 377 -3.086 -4.600 -12.910 1.00 15.00 H new ATOM 0 HB1 ALA A 377 -4.360 -6.005 -14.520 1.00 15.00 H new ATOM 0 HB2 ALA A 377 -3.824 -6.939 -13.102 1.00 15.00 H new ATOM 0 HB3 ALA A 377 -5.518 -6.407 -13.229 1.00 15.00 H new ATOM 181 N LYS A 378 -5.616 -2.940 -12.391 1.00 15.00 N ATOM 182 CA LYS A 378 -6.345 -1.751 -12.809 1.00 15.00 C ATOM 183 C LYS A 378 -5.369 -0.599 -13.060 1.00 15.00 C ATOM 184 O LYS A 378 -5.775 0.524 -13.355 1.00 15.00 O ATOM 185 CB LYS A 378 -7.419 -1.371 -11.773 1.00 15.00 C ATOM 186 CG LYS A 378 -6.893 -0.813 -10.456 1.00 15.00 C ATOM 187 CD LYS A 378 -7.973 -0.857 -9.379 1.00 15.00 C ATOM 188 CE LYS A 378 -7.692 0.109 -8.238 1.00 15.00 C ATOM 189 NZ LYS A 378 -8.165 1.482 -8.552 1.00 15.00 N1+ ATOM 0 H LYS A 378 -5.649 -3.129 -11.389 1.00 15.00 H new ATOM 0 HA LYS A 378 -6.863 -1.966 -13.744 1.00 15.00 H new ATOM 0 HB2 LYS A 378 -8.085 -0.633 -12.220 1.00 15.00 H new ATOM 0 HB3 LYS A 378 -8.021 -2.254 -11.559 1.00 15.00 H new ATOM 0 HG2 LYS A 378 -6.026 -1.389 -10.132 1.00 15.00 H new ATOM 0 HG3 LYS A 378 -6.557 0.214 -10.599 1.00 15.00 H new ATOM 0 HD2 LYS A 378 -8.938 -0.617 -9.826 1.00 15.00 H new ATOM 0 HD3 LYS A 378 -8.048 -1.870 -8.984 1.00 15.00 H new ATOM 0 HE2 LYS A 378 -8.182 -0.246 -7.331 1.00 15.00 H new ATOM 0 HE3 LYS A 378 -6.621 0.130 -8.035 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 -8.193 2.047 -7.680 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 -7.515 1.926 -9.232 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 -9.118 1.435 -8.965 1.00 15.00 H new ATOM 203 N GLY A 379 -4.075 -0.913 -12.981 1.00 15.00 N ATOM 204 CA GLY A 379 -3.036 0.046 -13.307 1.00 15.00 C ATOM 205 C GLY A 379 -2.579 0.865 -12.117 1.00 15.00 C ATOM 206 O GLY A 379 -2.092 1.983 -12.281 1.00 15.00 O ATOM 0 H GLY A 379 -3.728 -1.828 -12.693 1.00 15.00 H new ATOM 0 HA2 GLY A 379 -2.180 -0.484 -13.724 1.00 15.00 H new ATOM 0 HA3 GLY A 379 -3.403 0.719 -14.082 1.00 15.00 H new ATOM 210 N ARG A 380 -2.709 0.302 -10.921 1.00 15.00 N ATOM 211 CA ARG A 380 -2.314 0.995 -9.696 1.00 15.00 C ATOM 212 C ARG A 380 -2.012 0.005 -8.564 1.00 15.00 C ATOM 213 O ARG A 380 -2.856 -0.819 -8.204 1.00 15.00 O ATOM 214 CB ARG A 380 -3.413 1.974 -9.260 1.00 15.00 C ATOM 215 CG ARG A 380 -3.267 3.383 -9.836 1.00 15.00 C ATOM 216 CD ARG A 380 -4.596 4.131 -9.829 1.00 15.00 C ATOM 217 NE ARG A 380 -5.478 3.679 -10.905 1.00 15.00 N ATOM 218 CZ ARG A 380 -5.241 3.836 -12.210 1.00 15.00 C ATOM 219 NH1 ARG A 380 -4.144 4.438 -12.642 1.00 15.00 N1+ ATOM 220 NH2 ARG A 380 -6.113 3.375 -13.088 1.00 15.00 N ATOM 0 H ARG A 380 -3.085 -0.634 -10.771 1.00 15.00 H new ATOM 0 HA ARG A 380 -1.402 1.552 -9.909 1.00 15.00 H new ATOM 0 HB2 ARG A 380 -4.381 1.571 -9.558 1.00 15.00 H new ATOM 0 HB3 ARG A 380 -3.415 2.038 -8.172 1.00 15.00 H new ATOM 0 HG2 ARG A 380 -2.532 3.940 -9.255 1.00 15.00 H new ATOM 0 HG3 ARG A 380 -2.888 3.323 -10.856 1.00 15.00 H new ATOM 0 HD2 ARG A 380 -5.090 3.986 -8.868 1.00 15.00 H new ATOM 0 HD3 ARG A 380 -4.412 5.200 -9.934 1.00 15.00 H new ATOM 0 HE ARG A 380 -6.342 3.207 -10.638 1.00 15.00 H new ATOM 0 HH11 ARG A 380 -3.460 4.793 -11.974 1.00 15.00 H new ATOM 0 HH12 ARG A 380 -3.983 4.547 -13.643 1.00 15.00 H new ATOM 0 HH21 ARG A 380 -6.959 2.904 -12.767 1.00 15.00 H new ATOM 0 HH22 ARG A 380 -5.941 3.490 -14.087 1.00 15.00 H new ATOM 234 N THR A 381 -0.802 0.085 -8.016 1.00 15.00 N ATOM 235 CA THR A 381 -0.425 -0.712 -6.857 1.00 15.00 C ATOM 236 C THR A 381 -0.450 0.165 -5.607 1.00 15.00 C ATOM 237 O THR A 381 -0.116 1.346 -5.673 1.00 15.00 O ATOM 238 CB THR A 381 0.979 -1.337 -7.034 1.00 15.00 C ATOM 239 OG1 THR A 381 1.321 -2.140 -5.894 1.00 15.00 O ATOM 240 CG2 THR A 381 2.044 -0.266 -7.243 1.00 15.00 C ATOM 0 H THR A 381 -0.063 0.698 -8.360 1.00 15.00 H new ATOM 0 HA THR A 381 -1.142 -1.526 -6.753 1.00 15.00 H new ATOM 0 HB THR A 381 0.945 -1.967 -7.923 1.00 15.00 H new ATOM 0 HG1 THR A 381 2.213 -1.891 -5.574 1.00 15.00 H new ATOM 0 HG21 THR A 381 3.018 -0.740 -7.364 1.00 15.00 H new ATOM 0 HG22 THR A 381 1.808 0.312 -8.137 1.00 15.00 H new ATOM 0 HG23 THR A 381 2.068 0.397 -6.378 1.00 15.00 H new ATOM 248 N TYR A 382 -0.853 -0.400 -4.475 1.00 15.00 N ATOM 249 CA TYR A 382 -1.008 0.395 -3.264 1.00 15.00 C ATOM 250 C TYR A 382 -0.597 -0.392 -2.023 1.00 15.00 C ATOM 251 O TYR A 382 -0.706 -1.620 -1.990 1.00 15.00 O ATOM 252 CB TYR A 382 -2.452 0.896 -3.151 1.00 15.00 C ATOM 253 CG TYR A 382 -3.408 -0.014 -2.415 1.00 15.00 C ATOM 254 CD1 TYR A 382 -3.683 -1.308 -2.847 1.00 15.00 C ATOM 255 CD2 TYR A 382 -4.047 0.444 -1.281 1.00 15.00 C ATOM 256 CE1 TYR A 382 -4.569 -2.114 -2.155 1.00 15.00 C ATOM 257 CE2 TYR A 382 -4.931 -0.347 -0.589 1.00 15.00 C ATOM 258 CZ TYR A 382 -5.191 -1.628 -1.025 1.00 15.00 C ATOM 259 OH TYR A 382 -6.075 -2.425 -0.332 1.00 15.00 O ATOM 0 H TYR A 382 -1.075 -1.390 -4.371 1.00 15.00 H new ATOM 0 HA TYR A 382 -0.344 1.257 -3.329 1.00 15.00 H new ATOM 0 HB2 TYR A 382 -2.443 1.864 -2.650 1.00 15.00 H new ATOM 0 HB3 TYR A 382 -2.839 1.062 -4.156 1.00 15.00 H new ATOM 0 HD1 TYR A 382 -3.198 -1.688 -3.734 1.00 15.00 H new ATOM 0 HD2 TYR A 382 -3.848 1.446 -0.930 1.00 15.00 H new ATOM 0 HE1 TYR A 382 -4.772 -3.118 -2.498 1.00 15.00 H new ATOM 0 HE2 TYR A 382 -5.421 0.034 0.295 1.00 15.00 H new ATOM 0 HH TYR A 382 -5.577 -3.073 0.208 1.00 15.00 H new ATOM 269 N TYR A 383 -0.111 0.325 -1.015 1.00 15.00 N ATOM 270 CA TYR A 383 0.348 -0.293 0.224 1.00 15.00 C ATOM 271 C TYR A 383 -0.524 0.168 1.402 1.00 15.00 C ATOM 272 O TYR A 383 -0.811 1.362 1.532 1.00 15.00 O ATOM 273 CB TYR A 383 1.811 0.089 0.487 1.00 15.00 C ATOM 274 CG TYR A 383 2.697 0.046 -0.743 1.00 15.00 C ATOM 275 CD1 TYR A 383 3.160 -1.159 -1.252 1.00 15.00 C ATOM 276 CD2 TYR A 383 3.069 1.217 -1.393 1.00 15.00 C ATOM 277 CE1 TYR A 383 3.968 -1.198 -2.374 1.00 15.00 C ATOM 278 CE2 TYR A 383 3.875 1.186 -2.516 1.00 15.00 C ATOM 279 CZ TYR A 383 4.322 -0.024 -3.001 1.00 15.00 C ATOM 280 OH TYR A 383 5.124 -0.059 -4.120 1.00 15.00 O ATOM 0 H TYR A 383 -0.025 1.341 -1.033 1.00 15.00 H new ATOM 0 HA TYR A 383 0.269 -1.376 0.125 1.00 15.00 H new ATOM 0 HB2 TYR A 383 1.842 1.094 0.908 1.00 15.00 H new ATOM 0 HB3 TYR A 383 2.221 -0.585 1.240 1.00 15.00 H new ATOM 0 HD1 TYR A 383 2.885 -2.082 -0.764 1.00 15.00 H new ATOM 0 HD2 TYR A 383 2.723 2.167 -1.014 1.00 15.00 H new ATOM 0 HE1 TYR A 383 4.320 -2.145 -2.757 1.00 15.00 H new ATOM 0 HE2 TYR A 383 4.153 2.105 -3.010 1.00 15.00 H new ATOM 0 HH TYR A 383 5.086 0.807 -4.577 1.00 15.00 H new ATOM 290 N VAL A 384 -0.933 -0.766 2.264 1.00 15.00 N ATOM 291 CA VAL A 384 -1.757 -0.426 3.431 1.00 15.00 C ATOM 292 C VAL A 384 -0.972 -0.515 4.736 1.00 15.00 C ATOM 293 O VAL A 384 -0.562 -1.598 5.139 1.00 15.00 O ATOM 294 CB VAL A 384 -2.995 -1.334 3.565 1.00 15.00 C ATOM 295 CG1 VAL A 384 -4.222 -0.608 3.083 1.00 15.00 C ATOM 296 CG2 VAL A 384 -2.822 -2.634 2.805 1.00 15.00 C ATOM 0 H VAL A 384 -0.710 -1.758 2.179 1.00 15.00 H new ATOM 0 HA VAL A 384 -2.076 0.602 3.258 1.00 15.00 H new ATOM 0 HB VAL A 384 -3.114 -1.582 4.620 1.00 15.00 H new ATOM 0 HG11 VAL A 384 -5.092 -1.258 3.182 1.00 15.00 H new ATOM 0 HG12 VAL A 384 -4.371 0.291 3.681 1.00 15.00 H new ATOM 0 HG13 VAL A 384 -4.093 -0.331 2.037 1.00 15.00 H new ATOM 0 HG21 VAL A 384 -3.716 -3.247 2.924 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -2.667 -2.419 1.748 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -1.959 -3.172 3.196 1.00 15.00 H new ATOM 306 N ASN A 385 -0.801 0.609 5.425 1.00 15.00 N ATOM 307 CA ASN A 385 -0.017 0.631 6.656 1.00 15.00 C ATOM 308 C ASN A 385 -0.900 0.399 7.885 1.00 15.00 C ATOM 309 O ASN A 385 -1.831 1.160 8.111 1.00 15.00 O ATOM 310 CB ASN A 385 0.672 1.980 6.824 1.00 15.00 C ATOM 311 CG ASN A 385 1.526 2.020 8.077 1.00 15.00 C ATOM 312 OD1 ASN A 385 2.104 0.883 8.439 1.00 15.00 O flip ATOM 313 ND2 ASN A 385 1.668 3.053 8.710 1.00 15.00 N flip ATOM 0 H ASN A 385 -1.192 1.511 5.154 1.00 15.00 H new ATOM 0 HA ASN A 385 0.720 -0.169 6.579 1.00 15.00 H new ATOM 0 HB2 ASN A 385 1.295 2.182 5.952 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -0.079 2.769 6.869 1.00 15.00 H new ATOM 0 HD21 ASN A 385 1.207 3.909 8.400 1.00 15.00 H new ATOM 0 HD22 ASN A 385 2.248 3.061 9.549 1.00 15.00 H new ATOM 320 N HIS A 386 -0.589 -0.611 8.707 1.00 15.00 N ATOM 321 CA HIS A 386 -1.419 -0.924 9.879 1.00 15.00 C ATOM 322 C HIS A 386 -1.014 -0.038 11.033 1.00 15.00 C ATOM 323 O HIS A 386 -1.709 0.090 12.038 1.00 15.00 O ATOM 324 CB HIS A 386 -1.303 -2.403 10.298 1.00 15.00 C ATOM 325 CG HIS A 386 -1.032 -3.306 9.148 1.00 15.00 C ATOM 326 ND1 HIS A 386 -1.314 -2.919 7.871 1.00 15.00 N ATOM 327 CD2 HIS A 386 -0.357 -4.470 9.047 1.00 15.00 C ATOM 328 CE1 HIS A 386 -0.814 -3.767 7.034 1.00 15.00 C ATOM 329 NE2 HIS A 386 -0.234 -4.736 7.710 1.00 15.00 N ATOM 0 H HIS A 386 0.221 -1.219 8.586 1.00 15.00 H new ATOM 0 HA HIS A 386 -2.458 -0.741 9.606 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -0.504 -2.507 11.032 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -2.227 -2.711 10.787 1.00 15.00 H new ATOM 0 HD2 HIS A 386 0.014 -5.074 9.862 1.00 15.00 H new ATOM 0 HE1 HIS A 386 -0.864 -3.693 5.958 1.00 15.00 H new ATOM 0 HE2 HIS A 386 0.230 -5.549 7.305 1.00 15.00 H new ATOM 338 N ASN A 387 0.137 0.560 10.854 1.00 15.00 N ATOM 339 CA ASN A 387 0.793 1.340 11.868 1.00 15.00 C ATOM 340 C ASN A 387 0.197 2.750 11.920 1.00 15.00 C ATOM 341 O ASN A 387 0.175 3.394 12.967 1.00 15.00 O ATOM 342 CB ASN A 387 2.281 1.337 11.509 1.00 15.00 C ATOM 343 CG ASN A 387 3.216 1.944 12.559 1.00 15.00 C ATOM 344 OD1 ASN A 387 2.744 2.901 13.343 1.00 15.00 O flip ATOM 345 ND2 ASN A 387 4.371 1.537 12.664 1.00 15.00 N flip ATOM 0 H ASN A 387 0.655 0.515 9.976 1.00 15.00 H new ATOM 0 HA ASN A 387 0.653 0.926 12.866 1.00 15.00 H new ATOM 0 HB2 ASN A 387 2.590 0.308 11.325 1.00 15.00 H new ATOM 0 HB3 ASN A 387 2.412 1.881 10.574 1.00 15.00 H new ATOM 0 HD21 ASN A 387 4.710 0.798 12.047 1.00 15.00 H new ATOM 0 HD22 ASN A 387 4.991 1.938 13.368 1.00 15.00 H new ATOM 352 N ASN A 388 -0.290 3.221 10.783 1.00 15.00 N ATOM 353 CA ASN A 388 -0.901 4.544 10.703 1.00 15.00 C ATOM 354 C ASN A 388 -2.353 4.455 10.249 1.00 15.00 C ATOM 355 O ASN A 388 -3.094 5.433 10.344 1.00 15.00 O ATOM 356 CB ASN A 388 -0.120 5.471 9.761 1.00 15.00 C ATOM 357 CG ASN A 388 1.279 5.806 10.259 1.00 15.00 C ATOM 358 OD1 ASN A 388 1.469 5.821 11.572 1.00 15.00 O flip ATOM 359 ND2 ASN A 388 2.184 6.060 9.464 1.00 15.00 N flip ATOM 0 H ASN A 388 -0.275 2.709 9.901 1.00 15.00 H new ATOM 0 HA ASN A 388 -0.871 4.967 11.707 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -0.045 5.000 8.781 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -0.681 6.396 9.628 1.00 15.00 H new ATOM 0 HD21 ASN A 388 2.002 6.039 8.461 1.00 15.00 H new ATOM 0 HD22 ASN A 388 3.116 6.291 9.809 1.00 15.00 H new ATOM 366 N ARG A 389 -2.737 3.290 9.718 1.00 15.00 N ATOM 367 CA ARG A 389 -4.072 3.081 9.152 1.00 15.00 C ATOM 368 C ARG A 389 -4.234 3.877 7.871 1.00 15.00 C ATOM 369 O ARG A 389 -4.928 4.891 7.836 1.00 15.00 O ATOM 370 CB ARG A 389 -5.197 3.416 10.142 1.00 15.00 C ATOM 371 CG ARG A 389 -5.570 2.261 11.057 1.00 15.00 C ATOM 372 CD ARG A 389 -4.442 1.897 12.000 1.00 15.00 C ATOM 373 NE ARG A 389 -4.364 2.834 13.120 1.00 15.00 N ATOM 374 CZ ARG A 389 -3.350 2.907 13.980 1.00 15.00 C ATOM 375 NH1 ARG A 389 -2.348 2.036 13.919 1.00 15.00 N1+ ATOM 376 NH2 ARG A 389 -3.363 3.834 14.928 1.00 15.00 N ATOM 0 H ARG A 389 -2.134 2.469 9.669 1.00 15.00 H new ATOM 0 HA ARG A 389 -4.158 2.018 8.928 1.00 15.00 H new ATOM 0 HB2 ARG A 389 -4.891 4.267 10.751 1.00 15.00 H new ATOM 0 HB3 ARG A 389 -6.080 3.725 9.583 1.00 15.00 H new ATOM 0 HG2 ARG A 389 -6.454 2.528 11.636 1.00 15.00 H new ATOM 0 HG3 ARG A 389 -5.834 1.392 10.455 1.00 15.00 H new ATOM 0 HD2 ARG A 389 -4.593 0.886 12.378 1.00 15.00 H new ATOM 0 HD3 ARG A 389 -3.497 1.896 11.457 1.00 15.00 H new ATOM 0 HE ARG A 389 -5.143 3.479 13.252 1.00 15.00 H new ATOM 0 HH11 ARG A 389 -2.351 1.304 13.209 1.00 15.00 H new ATOM 0 HH12 ARG A 389 -1.576 2.100 14.582 1.00 15.00 H new ATOM 0 HH21 ARG A 389 -4.146 4.484 14.995 1.00 15.00 H new ATOM 0 HH22 ARG A 389 -2.590 3.897 15.591 1.00 15.00 H new ATOM 390 N THR A 390 -3.538 3.448 6.830 1.00 15.00 N ATOM 391 CA THR A 390 -3.481 4.223 5.606 1.00 15.00 C ATOM 392 C THR A 390 -3.507 3.339 4.344 1.00 15.00 C ATOM 393 O THR A 390 -2.979 2.227 4.358 1.00 15.00 O ATOM 394 CB THR A 390 -2.193 5.086 5.619 1.00 15.00 C ATOM 395 OG1 THR A 390 -2.320 6.136 6.588 1.00 15.00 O ATOM 396 CG2 THR A 390 -1.855 5.675 4.251 1.00 15.00 C ATOM 0 H THR A 390 -3.010 2.575 6.810 1.00 15.00 H new ATOM 0 HA THR A 390 -4.368 4.855 5.567 1.00 15.00 H new ATOM 0 HB THR A 390 -1.370 4.424 5.889 1.00 15.00 H new ATOM 0 HG1 THR A 390 -1.503 6.677 6.593 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.944 6.268 4.325 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.705 4.868 3.534 1.00 15.00 H new ATOM 0 HG23 THR A 390 -2.675 6.310 3.916 1.00 15.00 H new ATOM 404 N THR A 391 -4.124 3.844 3.263 1.00 15.00 N ATOM 405 CA THR A 391 -4.103 3.200 1.963 1.00 15.00 C ATOM 406 C THR A 391 -3.550 4.205 0.945 1.00 15.00 C ATOM 407 O THR A 391 -4.146 5.264 0.737 1.00 15.00 O ATOM 408 CB THR A 391 -5.523 2.742 1.563 1.00 15.00 C ATOM 409 OG1 THR A 391 -5.591 2.494 0.161 1.00 15.00 O ATOM 410 CG2 THR A 391 -6.567 3.779 1.957 1.00 15.00 C ATOM 0 H THR A 391 -4.652 4.717 3.279 1.00 15.00 H new ATOM 0 HA THR A 391 -3.470 2.313 1.993 1.00 15.00 H new ATOM 0 HB THR A 391 -5.737 1.818 2.099 1.00 15.00 H new ATOM 0 HG1 THR A 391 -5.229 1.604 -0.032 1.00 15.00 H new ATOM 0 HG21 THR A 391 -7.556 3.429 1.663 1.00 15.00 H new ATOM 0 HG22 THR A 391 -6.541 3.929 3.036 1.00 15.00 H new ATOM 0 HG23 THR A 391 -6.351 4.722 1.454 1.00 15.00 H new ATOM 418 N THR A 392 -2.400 3.916 0.339 1.00 15.00 N ATOM 419 CA THR A 392 -1.667 4.961 -0.354 1.00 15.00 C ATOM 420 C THR A 392 -0.845 4.452 -1.540 1.00 15.00 C ATOM 421 O THR A 392 -0.407 3.296 -1.561 1.00 15.00 O ATOM 422 CB THR A 392 -0.753 5.684 0.647 1.00 15.00 C ATOM 423 OG1 THR A 392 -0.194 6.868 0.060 1.00 15.00 O ATOM 424 CG2 THR A 392 0.366 4.770 1.133 1.00 15.00 C ATOM 0 H THR A 392 -1.969 2.992 0.315 1.00 15.00 H new ATOM 0 HA THR A 392 -2.406 5.646 -0.770 1.00 15.00 H new ATOM 0 HB THR A 392 -1.364 5.967 1.504 1.00 15.00 H new ATOM 0 HG1 THR A 392 0.767 6.905 0.250 1.00 15.00 H new ATOM 0 HG21 THR A 392 0.996 5.310 1.840 1.00 15.00 H new ATOM 0 HG22 THR A 392 -0.064 3.897 1.624 1.00 15.00 H new ATOM 0 HG23 THR A 392 0.968 4.448 0.283 1.00 15.00 H new ATOM 432 N TRP A 393 -0.671 5.324 -2.539 1.00 15.00 N ATOM 433 CA TRP A 393 0.211 5.046 -3.671 1.00 15.00 C ATOM 434 C TRP A 393 1.674 5.216 -3.265 1.00 15.00 C ATOM 435 O TRP A 393 2.579 4.714 -3.931 1.00 15.00 O ATOM 436 CB TRP A 393 -0.037 6.013 -4.837 1.00 15.00 C ATOM 437 CG TRP A 393 -1.414 6.017 -5.430 1.00 15.00 C ATOM 438 CD1 TRP A 393 -2.078 7.112 -5.903 1.00 15.00 C ATOM 439 CD2 TRP A 393 -2.286 4.902 -5.641 1.00 15.00 C ATOM 440 NE1 TRP A 393 -3.296 6.748 -6.409 1.00 15.00 N ATOM 441 CE2 TRP A 393 -3.450 5.397 -6.255 1.00 15.00 C ATOM 442 CE3 TRP A 393 -2.200 3.536 -5.376 1.00 15.00 C ATOM 443 CZ2 TRP A 393 -4.509 4.575 -6.608 1.00 15.00 C ATOM 444 CZ3 TRP A 393 -3.258 2.721 -5.726 1.00 15.00 C ATOM 445 CH2 TRP A 393 -4.398 3.242 -6.337 1.00 15.00 C ATOM 0 H TRP A 393 -1.133 6.232 -2.584 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.001 4.022 -3.979 1.00 15.00 H new ATOM 0 HB2 TRP A 393 0.189 7.023 -4.495 1.00 15.00 H new ATOM 0 HB3 TRP A 393 0.674 5.779 -5.630 1.00 15.00 H new ATOM 0 HD1 TRP A 393 -1.696 8.122 -5.881 1.00 15.00 H new ATOM 0 HE1 TRP A 393 -3.977 7.379 -6.831 1.00 15.00 H new ATOM 0 HE3 TRP A 393 -1.321 3.122 -4.905 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 -5.393 4.976 -7.082 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 -3.202 1.662 -5.523 1.00 15.00 H new ATOM 0 HH2 TRP A 393 -5.208 2.578 -6.601 1.00 15.00 H new ATOM 456 N THR A 394 1.896 5.962 -2.189 1.00 15.00 N ATOM 457 CA THR A 394 3.232 6.422 -1.834 1.00 15.00 C ATOM 458 C THR A 394 4.131 5.290 -1.358 1.00 15.00 C ATOM 459 O THR A 394 3.694 4.392 -0.632 1.00 15.00 O ATOM 460 CB THR A 394 3.176 7.507 -0.740 1.00 15.00 C ATOM 461 OG1 THR A 394 2.440 7.024 0.391 1.00 15.00 O ATOM 462 CG2 THR A 394 2.530 8.779 -1.268 1.00 15.00 C ATOM 0 H THR A 394 1.164 6.262 -1.545 1.00 15.00 H new ATOM 0 HA THR A 394 3.657 6.839 -2.747 1.00 15.00 H new ATOM 0 HB THR A 394 4.197 7.739 -0.437 1.00 15.00 H new ATOM 0 HG1 THR A 394 2.410 7.718 1.082 1.00 15.00 H new ATOM 0 HG21 THR A 394 2.503 9.529 -0.477 1.00 15.00 H new ATOM 0 HG22 THR A 394 3.110 9.160 -2.109 1.00 15.00 H new ATOM 0 HG23 THR A 394 1.514 8.561 -1.597 1.00 15.00 H new ATOM 470 N ARG A 395 5.390 5.350 -1.769 1.00 15.00 N ATOM 471 CA ARG A 395 6.395 4.406 -1.316 1.00 15.00 C ATOM 472 C ARG A 395 6.712 4.651 0.151 1.00 15.00 C ATOM 473 O ARG A 395 7.030 5.770 0.554 1.00 15.00 O ATOM 474 CB ARG A 395 7.658 4.527 -2.169 1.00 15.00 C ATOM 475 CG ARG A 395 7.477 3.971 -3.569 1.00 15.00 C ATOM 476 CD ARG A 395 7.332 2.458 -3.545 1.00 15.00 C ATOM 477 NE ARG A 395 8.600 1.797 -3.240 1.00 15.00 N ATOM 478 CZ ARG A 395 8.881 0.537 -3.565 1.00 15.00 C ATOM 479 NH1 ARG A 395 7.958 -0.237 -4.123 1.00 15.00 N1+ ATOM 480 NH2 ARG A 395 10.085 0.047 -3.304 1.00 15.00 N ATOM 0 H ARG A 395 5.739 6.051 -2.422 1.00 15.00 H new ATOM 0 HA ARG A 395 6.006 3.393 -1.424 1.00 15.00 H new ATOM 0 HB2 ARG A 395 7.948 5.576 -2.234 1.00 15.00 H new ATOM 0 HB3 ARG A 395 8.475 4.000 -1.677 1.00 15.00 H new ATOM 0 HG2 ARG A 395 6.595 4.416 -4.029 1.00 15.00 H new ATOM 0 HG3 ARG A 395 8.332 4.247 -4.186 1.00 15.00 H new ATOM 0 HD2 ARG A 395 6.587 2.176 -2.801 1.00 15.00 H new ATOM 0 HD3 ARG A 395 6.965 2.112 -4.511 1.00 15.00 H new ATOM 0 HE ARG A 395 9.313 2.335 -2.748 1.00 15.00 H new ATOM 0 HH11 ARG A 395 7.025 0.133 -4.306 1.00 15.00 H new ATOM 0 HH12 ARG A 395 8.182 -1.201 -4.369 1.00 15.00 H new ATOM 0 HH21 ARG A 395 10.789 0.635 -2.857 1.00 15.00 H new ATOM 0 HH22 ARG A 395 10.307 -0.918 -3.550 1.00 15.00 H new ATOM 494 N PRO A 396 6.631 3.599 0.964 1.00 15.00 N ATOM 495 CA PRO A 396 6.781 3.698 2.413 1.00 15.00 C ATOM 496 C PRO A 396 8.207 4.027 2.841 1.00 15.00 C ATOM 497 O PRO A 396 9.157 3.319 2.505 1.00 15.00 O ATOM 498 CB PRO A 396 6.392 2.300 2.909 1.00 15.00 C ATOM 499 CG PRO A 396 5.695 1.657 1.759 1.00 15.00 C ATOM 500 CD PRO A 396 6.348 2.225 0.541 1.00 15.00 C ATOM 0 HA PRO A 396 6.171 4.503 2.822 1.00 15.00 H new ATOM 0 HB2 PRO A 396 7.272 1.729 3.206 1.00 15.00 H new ATOM 0 HB3 PRO A 396 5.741 2.359 3.781 1.00 15.00 H new ATOM 0 HG2 PRO A 396 5.798 0.572 1.792 1.00 15.00 H new ATOM 0 HG3 PRO A 396 4.627 1.876 1.772 1.00 15.00 H new ATOM 0 HD2 PRO A 396 7.256 1.684 0.274 1.00 15.00 H new ATOM 0 HD3 PRO A 396 5.691 2.192 -0.328 1.00 15.00 H new ATOM 616 N PRO B 180 -8.159 6.182 -7.638 1.00 15.00 N ATOM 617 CA PRO B 180 -7.594 5.839 -6.335 1.00 15.00 C ATOM 618 C PRO B 180 -7.679 4.477 -5.703 1.00 15.00 C ATOM 619 O PRO B 180 -8.339 3.533 -6.145 1.00 15.00 O ATOM 620 CB PRO B 180 -8.360 6.805 -5.454 1.00 15.00 C ATOM 621 CG PRO B 180 -7.972 7.958 -6.194 1.00 15.00 C ATOM 622 CD PRO B 180 -8.544 7.614 -7.559 1.00 15.00 C ATOM 0 HA PRO B 180 -6.512 5.877 -6.460 1.00 15.00 H new ATOM 0 HB2 PRO B 180 -9.436 6.631 -5.441 1.00 15.00 H new ATOM 0 HB3 PRO B 180 -8.026 6.814 -4.416 1.00 15.00 H new ATOM 0 HG2 PRO B 180 -8.396 8.875 -5.786 1.00 15.00 H new ATOM 0 HG3 PRO B 180 -6.890 8.090 -6.219 1.00 15.00 H new ATOM 0 HD2 PRO B 180 -9.623 7.760 -7.609 1.00 15.00 H new ATOM 0 HD3 PRO B 180 -8.104 8.210 -8.359 1.00 15.00 H new ATOM 630 N PRO B 181 -6.917 4.453 -4.591 1.00 15.00 N ATOM 631 CA PRO B 181 -6.684 3.295 -3.730 1.00 15.00 C ATOM 632 C PRO B 181 -7.953 2.623 -3.215 1.00 15.00 C ATOM 633 O PRO B 181 -8.947 3.279 -2.902 1.00 15.00 O ATOM 634 CB PRO B 181 -5.917 3.899 -2.540 1.00 15.00 C ATOM 635 CG PRO B 181 -6.104 5.379 -2.646 1.00 15.00 C ATOM 636 CD PRO B 181 -6.215 5.663 -4.072 1.00 15.00 C ATOM 0 HA PRO B 181 -6.164 2.510 -4.280 1.00 15.00 H new ATOM 0 HB2 PRO B 181 -6.304 3.522 -1.593 1.00 15.00 H new ATOM 0 HB3 PRO B 181 -4.860 3.634 -2.580 1.00 15.00 H new ATOM 0 HG2 PRO B 181 -6.999 5.700 -2.112 1.00 15.00 H new ATOM 0 HG3 PRO B 181 -5.262 5.912 -2.205 1.00 15.00 H new ATOM 0 HD2 PRO B 181 -6.783 6.574 -4.261 1.00 15.00 H new ATOM 0 HD3 PRO B 181 -5.238 5.795 -4.536 1.00 15.00 H new ATOM 644 N PRO B 182 -7.893 1.293 -3.095 1.00 15.00 N ATOM 645 CA PRO B 182 -8.888 0.490 -2.378 1.00 15.00 C ATOM 646 C PRO B 182 -8.783 0.753 -0.877 1.00 15.00 C ATOM 647 O PRO B 182 -7.709 1.113 -0.400 1.00 15.00 O ATOM 648 CB PRO B 182 -8.495 -0.962 -2.700 1.00 15.00 C ATOM 649 CG PRO B 182 -7.505 -0.877 -3.816 1.00 15.00 C ATOM 650 CD PRO B 182 -6.837 0.454 -3.672 1.00 15.00 C ATOM 0 HA PRO B 182 -9.913 0.719 -2.669 1.00 15.00 H new ATOM 0 HB2 PRO B 182 -8.061 -1.452 -1.829 1.00 15.00 H new ATOM 0 HB3 PRO B 182 -9.366 -1.547 -2.994 1.00 15.00 H new ATOM 0 HG2 PRO B 182 -6.778 -1.687 -3.756 1.00 15.00 H new ATOM 0 HG3 PRO B 182 -7.999 -0.963 -4.784 1.00 15.00 H new ATOM 0 HD2 PRO B 182 -5.964 0.399 -3.021 1.00 15.00 H new ATOM 0 HD3 PRO B 182 -6.495 0.840 -4.632 1.00 15.00 H new ATOM 658 N GLY B 183 -9.895 0.627 -0.151 1.00 15.00 N ATOM 659 CA GLY B 183 -9.905 0.905 1.287 1.00 15.00 C ATOM 660 C GLY B 183 -8.772 0.225 2.053 1.00 15.00 C ATOM 661 O GLY B 183 -8.112 -0.676 1.539 1.00 15.00 O ATOM 0 H GLY B 183 -10.795 0.336 -0.532 1.00 15.00 H new ATOM 0 HA2 GLY B 183 -9.839 1.982 1.440 1.00 15.00 H new ATOM 0 HA3 GLY B 183 -10.859 0.581 1.704 1.00 15.00 H new ATOM 665 N TYR B 184 -8.578 0.615 3.306 1.00 15.00 N ATOM 666 CA TYR B 184 -7.381 0.223 4.040 1.00 15.00 C ATOM 667 C TYR B 184 -7.555 -1.108 4.796 1.00 15.00 C ATOM 668 O TYR B 184 -8.581 -1.348 5.431 1.00 15.00 O ATOM 669 CB TYR B 184 -6.939 1.354 4.992 1.00 15.00 C ATOM 670 CG TYR B 184 -6.248 0.857 6.237 1.00 15.00 C ATOM 671 CD1 TYR B 184 -4.925 0.449 6.212 1.00 15.00 C ATOM 672 CD2 TYR B 184 -6.938 0.779 7.439 1.00 15.00 C ATOM 673 CE1 TYR B 184 -4.307 -0.019 7.349 1.00 15.00 C ATOM 674 CE2 TYR B 184 -6.326 0.313 8.581 1.00 15.00 C ATOM 675 CZ TYR B 184 -5.010 -0.086 8.530 1.00 15.00 C ATOM 676 OH TYR B 184 -4.384 -0.539 9.666 1.00 15.00 O ATOM 0 H TYR B 184 -9.228 1.198 3.833 1.00 15.00 H new ATOM 0 HA TYR B 184 -6.594 0.055 3.305 1.00 15.00 H new ATOM 0 HB2 TYR B 184 -6.268 2.026 4.458 1.00 15.00 H new ATOM 0 HB3 TYR B 184 -7.813 1.938 5.280 1.00 15.00 H new ATOM 0 HD1 TYR B 184 -4.370 0.499 5.287 1.00 15.00 H new ATOM 0 HD2 TYR B 184 -7.972 1.089 7.479 1.00 15.00 H new ATOM 0 HE1 TYR B 184 -3.274 -0.333 7.315 1.00 15.00 H new ATOM 0 HE2 TYR B 184 -6.875 0.261 9.510 1.00 15.00 H new ATOM 0 HH TYR B 184 -5.056 -0.753 10.347 1.00 15.00 H new ATOM 686 N LEU B 185 -6.494 -1.935 4.742 1.00 15.00 N ATOM 687 CA LEU B 185 -6.476 -3.293 5.280 1.00 15.00 C ATOM 688 C LEU B 185 -7.649 -4.136 4.865 1.00 15.00 C ATOM 689 O LEU B 185 -8.552 -4.442 5.644 1.00 15.00 O ATOM 690 CB LEU B 185 -6.240 -3.362 6.783 1.00 15.00 C ATOM 691 CG LEU B 185 -4.777 -3.469 7.167 1.00 15.00 C ATOM 692 CD1 LEU B 185 -4.624 -3.524 8.677 1.00 15.00 C ATOM 693 CD2 LEU B 185 -4.151 -4.701 6.527 1.00 15.00 C ATOM 0 H LEU B 185 -5.610 -1.664 4.312 1.00 15.00 H new ATOM 0 HA LEU B 185 -5.599 -3.738 4.809 1.00 15.00 H new ATOM 0 HB2 LEU B 185 -6.665 -2.473 7.250 1.00 15.00 H new ATOM 0 HB3 LEU B 185 -6.776 -4.221 7.187 1.00 15.00 H new ATOM 0 HG LEU B 185 -4.259 -2.583 6.800 1.00 15.00 H new ATOM 0 HD11 LEU B 185 -3.567 -3.601 8.933 1.00 15.00 H new ATOM 0 HD12 LEU B 185 -5.039 -2.618 9.118 1.00 15.00 H new ATOM 0 HD13 LEU B 185 -5.155 -4.393 9.065 1.00 15.00 H new ATOM 0 HD21 LEU B 185 -3.101 -4.765 6.811 1.00 15.00 H new ATOM 0 HD22 LEU B 185 -4.674 -5.594 6.868 1.00 15.00 H new ATOM 0 HD23 LEU B 185 -4.229 -4.627 5.442 1.00 15.00 H new ATOM 705 N SER B 186 -7.624 -4.462 3.604 1.00 15.00 N ATOM 706 CA SER B 186 -8.403 -5.529 3.064 1.00 15.00 C ATOM 707 C SER B 186 -7.579 -6.128 1.940 1.00 15.00 C ATOM 708 O SER B 186 -7.527 -5.588 0.838 1.00 15.00 O ATOM 709 CB SER B 186 -9.737 -4.977 2.572 1.00 15.00 C ATOM 710 OG SER B 186 -10.497 -5.955 1.885 1.00 15.00 O ATOM 0 H SER B 186 -7.049 -3.981 2.913 1.00 15.00 H new ATOM 0 HA SER B 186 -8.634 -6.298 3.801 1.00 15.00 H new ATOM 0 HB2 SER B 186 -10.310 -4.604 3.421 1.00 15.00 H new ATOM 0 HB3 SER B 186 -9.557 -4.129 1.912 1.00 15.00 H new ATOM 0 HG SER B 186 -11.344 -5.562 1.588 1.00 15.00 H new ATOM 716 N GLU B 187 -6.911 -7.228 2.241 1.00 15.00 N ATOM 717 CA GLU B 187 -5.888 -7.754 1.358 1.00 15.00 C ATOM 718 C GLU B 187 -6.123 -9.235 1.115 1.00 15.00 C ATOM 719 O GLU B 187 -5.943 -10.057 2.017 1.00 15.00 O ATOM 720 CB GLU B 187 -4.486 -7.502 1.956 1.00 15.00 C ATOM 721 CG GLU B 187 -4.193 -6.039 2.253 1.00 15.00 C ATOM 722 CD GLU B 187 -3.974 -5.211 1.006 1.00 15.00 C ATOM 723 OE1 GLU B 187 -2.843 -5.204 0.492 1.00 15.00 O1- ATOM 724 OE2 GLU B 187 -4.931 -4.561 0.542 1.00 15.00 O ATOM 0 H GLU B 187 -7.059 -7.773 3.090 1.00 15.00 H new ATOM 0 HA GLU B 187 -5.942 -7.239 0.399 1.00 15.00 H new ATOM 0 HB2 GLU B 187 -4.387 -8.076 2.877 1.00 15.00 H new ATOM 0 HB3 GLU B 187 -3.734 -7.879 1.263 1.00 15.00 H new ATOM 0 HG2 GLU B 187 -5.022 -5.617 2.821 1.00 15.00 H new ATOM 0 HG3 GLU B 187 -3.308 -5.973 2.885 1.00 15.00 H new