USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=14 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 Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ -134:sc= -2.18! (180deg=-5.06!) USER MOD Single : A 378 LYS NZ :NH3+ 151:sc= -1.42 (180deg=-3.18!) USER MOD Single : A 381 THR OG1 : rot 180:sc= -0.837 USER MOD Single : A 382 TYR OH : rot 68:sc= 1.45 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 385 ASN :FLIP amide:sc= -5.78! C(o=-6.9!,f=-5.8!) USER MOD Single : A 386 HIS : no HD1:sc= -7.99! C(o=-8!,f=-13!) USER MOD Single : A 387 ASN : amide:sc= -0.37 X(o=-0.37,f=-0.66!) USER MOD Single : A 388 ASN :FLIP amide:sc= -0.0368 F(o=-1.5!,f=-0.037) USER MOD Single : A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 83:sc= 0.541 USER MOD Single : A 392 THR OG1 : rot 150:sc= -0.699 USER MOD Single : A 394 THR OG1 : rot 180:sc= 0 USER MOD Single : B 184 TYR OH : rot -145:sc= -1.9 USER MOD Single : B 186 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 368 8.227 -3.055 2.887 1.00 15.00 N ATOM 28 CA PRO A 368 8.444 -2.958 4.315 1.00 15.00 C ATOM 29 C PRO A 368 7.461 -3.833 5.087 1.00 15.00 C ATOM 30 O PRO A 368 6.248 -3.799 4.861 1.00 15.00 O ATOM 31 CB PRO A 368 8.155 -1.489 4.591 1.00 15.00 C ATOM 32 CG PRO A 368 7.066 -1.174 3.638 1.00 15.00 C ATOM 33 CD PRO A 368 7.384 -1.965 2.398 1.00 15.00 C ATOM 0 HA PRO A 368 9.439 -3.286 4.617 1.00 15.00 H new ATOM 0 HB2 PRO A 368 7.846 -1.326 5.624 1.00 15.00 H new ATOM 0 HB3 PRO A 368 9.033 -0.867 4.419 1.00 15.00 H new ATOM 0 HG2 PRO A 368 6.094 -1.454 4.045 1.00 15.00 H new ATOM 0 HG3 PRO A 368 7.027 -0.106 3.424 1.00 15.00 H new ATOM 0 HD2 PRO A 368 6.479 -2.342 1.921 1.00 15.00 H new ATOM 0 HD3 PRO A 368 7.905 -1.357 1.658 1.00 15.00 H new ATOM 41 N SER A 369 8.002 -4.612 5.989 1.00 15.00 N ATOM 42 CA SER A 369 7.226 -5.563 6.764 1.00 15.00 C ATOM 43 C SER A 369 6.313 -4.831 7.750 1.00 15.00 C ATOM 44 O SER A 369 6.793 -4.173 8.678 1.00 15.00 O ATOM 45 CB SER A 369 8.176 -6.483 7.526 1.00 15.00 C ATOM 46 OG SER A 369 9.212 -6.951 6.677 1.00 15.00 O ATOM 0 H SER A 369 8.997 -4.609 6.212 1.00 15.00 H new ATOM 0 HA SER A 369 6.605 -6.151 6.088 1.00 15.00 H new ATOM 0 HB2 SER A 369 8.607 -5.948 8.372 1.00 15.00 H new ATOM 0 HB3 SER A 369 7.622 -7.329 7.932 1.00 15.00 H new ATOM 0 HG SER A 369 9.811 -7.537 7.185 1.00 15.00 H new ATOM 52 N GLY A 370 5.004 -4.910 7.538 1.00 15.00 N ATOM 53 CA GLY A 370 4.084 -4.261 8.445 1.00 15.00 C ATOM 54 C GLY A 370 2.861 -3.748 7.733 1.00 15.00 C ATOM 55 O GLY A 370 1.843 -3.470 8.356 1.00 15.00 O ATOM 0 H GLY A 370 4.569 -5.408 6.761 1.00 15.00 H new ATOM 0 HA2 GLY A 370 3.784 -4.964 9.222 1.00 15.00 H new ATOM 0 HA3 GLY A 370 4.588 -3.433 8.943 1.00 15.00 H new ATOM 59 N TRP A 371 2.988 -3.538 6.436 1.00 15.00 N ATOM 60 CA TRP A 371 1.854 -3.262 5.594 1.00 15.00 C ATOM 61 C TRP A 371 1.546 -4.484 4.749 1.00 15.00 C ATOM 62 O TRP A 371 2.425 -5.315 4.524 1.00 15.00 O ATOM 63 CB TRP A 371 2.167 -2.111 4.649 1.00 15.00 C ATOM 64 CG TRP A 371 2.894 -0.944 5.251 1.00 15.00 C ATOM 65 CD1 TRP A 371 3.657 -0.906 6.375 1.00 15.00 C ATOM 66 CD2 TRP A 371 2.909 0.366 4.723 1.00 15.00 C ATOM 67 NE1 TRP A 371 4.169 0.349 6.554 1.00 15.00 N ATOM 68 CE2 TRP A 371 3.712 1.160 5.549 1.00 15.00 C ATOM 69 CE3 TRP A 371 2.310 0.925 3.621 1.00 15.00 C ATOM 70 CZ2 TRP A 371 3.930 2.514 5.292 1.00 15.00 C ATOM 71 CZ3 TRP A 371 2.506 2.269 3.355 1.00 15.00 C ATOM 72 CH2 TRP A 371 3.314 3.052 4.191 1.00 15.00 C ATOM 0 H TRP A 371 3.881 -3.555 5.944 1.00 15.00 H new ATOM 0 HA TRP A 371 1.007 -3.004 6.229 1.00 15.00 H new ATOM 0 HB2 TRP A 371 2.763 -2.498 3.822 1.00 15.00 H new ATOM 0 HB3 TRP A 371 1.230 -1.750 4.225 1.00 15.00 H new ATOM 0 HD1 TRP A 371 3.833 -1.745 7.031 1.00 15.00 H new ATOM 0 HE1 TRP A 371 4.789 0.635 7.312 1.00 15.00 H new ATOM 0 HE3 TRP A 371 1.693 0.323 2.970 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 4.558 3.114 5.934 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 2.032 2.719 2.495 1.00 15.00 H new ATOM 0 HH2 TRP A 371 3.454 4.099 3.964 1.00 15.00 H new ATOM 83 N GLU A 372 0.322 -4.588 4.260 1.00 15.00 N ATOM 84 CA GLU A 372 0.027 -5.595 3.263 1.00 15.00 C ATOM 85 C GLU A 372 0.097 -4.926 1.898 1.00 15.00 C ATOM 86 O GLU A 372 -0.256 -3.753 1.770 1.00 15.00 O ATOM 87 CB GLU A 372 -1.356 -6.251 3.458 1.00 15.00 C ATOM 88 CG GLU A 372 -1.759 -6.476 4.905 1.00 15.00 C ATOM 89 CD GLU A 372 -0.831 -7.416 5.646 1.00 15.00 C ATOM 90 OE1 GLU A 372 -0.783 -8.611 5.292 1.00 15.00 O ATOM 91 OE2 GLU A 372 -0.175 -6.972 6.615 1.00 15.00 O1- ATOM 0 H GLU A 372 -0.466 -4.000 4.531 1.00 15.00 H new ATOM 0 HA GLU A 372 0.758 -6.398 3.356 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -2.109 -5.625 2.979 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.363 -7.210 2.941 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -1.782 -5.517 5.422 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.772 -6.878 4.935 1.00 15.00 H new ATOM 98 N GLU A 373 0.569 -5.629 0.888 1.00 15.00 N ATOM 99 CA GLU A 373 0.607 -5.048 -0.442 1.00 15.00 C ATOM 100 C GLU A 373 -0.367 -5.725 -1.381 1.00 15.00 C ATOM 101 O GLU A 373 -0.643 -6.922 -1.264 1.00 15.00 O ATOM 102 CB GLU A 373 2.001 -5.091 -1.050 1.00 15.00 C ATOM 103 CG GLU A 373 2.643 -6.468 -1.060 1.00 15.00 C ATOM 104 CD GLU A 373 2.958 -6.960 -2.461 1.00 15.00 C ATOM 105 OE1 GLU A 373 3.984 -6.532 -3.032 1.00 15.00 O ATOM 106 OE2 GLU A 373 2.195 -7.791 -2.997 1.00 15.00 O1- ATOM 0 H GLU A 373 0.925 -6.582 0.957 1.00 15.00 H new ATOM 0 HA GLU A 373 0.314 -4.005 -0.318 1.00 15.00 H new ATOM 0 HB2 GLU A 373 1.948 -4.721 -2.074 1.00 15.00 H new ATOM 0 HB3 GLU A 373 2.646 -4.408 -0.497 1.00 15.00 H new ATOM 0 HG2 GLU A 373 3.562 -6.440 -0.475 1.00 15.00 H new ATOM 0 HG3 GLU A 373 1.976 -7.178 -0.572 1.00 15.00 H new ATOM 113 N ARG A 374 -0.846 -4.951 -2.332 1.00 15.00 N ATOM 114 CA ARG A 374 -1.746 -5.450 -3.361 1.00 15.00 C ATOM 115 C ARG A 374 -1.480 -4.733 -4.677 1.00 15.00 C ATOM 116 O ARG A 374 -1.759 -3.540 -4.821 1.00 15.00 O ATOM 117 CB ARG A 374 -3.222 -5.306 -2.970 1.00 15.00 C ATOM 118 CG ARG A 374 -3.711 -6.400 -2.033 1.00 15.00 C ATOM 119 CD ARG A 374 -5.220 -6.586 -2.122 1.00 15.00 C ATOM 120 NE ARG A 374 -5.956 -5.506 -1.474 1.00 15.00 N ATOM 121 CZ ARG A 374 -7.259 -5.282 -1.634 1.00 15.00 C ATOM 122 NH1 ARG A 374 -7.980 -6.046 -2.450 1.00 15.00 N1+ ATOM 123 NH2 ARG A 374 -7.838 -4.285 -0.982 1.00 15.00 N ATOM 0 H ARG A 374 -0.625 -3.959 -2.417 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.547 -6.516 -3.475 1.00 15.00 H new ATOM 0 HB2 ARG A 374 -3.370 -4.337 -2.493 1.00 15.00 H new ATOM 0 HB3 ARG A 374 -3.831 -5.313 -3.874 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -3.214 -7.338 -2.279 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -3.435 -6.152 -1.008 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -5.514 -6.644 -3.170 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -5.493 -7.535 -1.661 1.00 15.00 H new ATOM 0 HE ARG A 374 -5.438 -4.880 -0.857 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -7.535 -6.810 -2.959 1.00 15.00 H new ATOM 0 HH12 ARG A 374 -8.977 -5.868 -2.567 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -7.286 -3.693 -0.361 1.00 15.00 H new ATOM 0 HH22 ARG A 374 -8.836 -4.109 -1.101 1.00 15.00 H new ATOM 137 N LYS A 375 -0.892 -5.455 -5.612 1.00 15.00 N ATOM 138 CA LYS A 375 -0.610 -4.934 -6.933 1.00 15.00 C ATOM 139 C LYS A 375 -1.740 -5.317 -7.885 1.00 15.00 C ATOM 140 O LYS A 375 -1.839 -6.470 -8.308 1.00 15.00 O ATOM 141 CB LYS A 375 0.735 -5.496 -7.397 1.00 15.00 C ATOM 142 CG LYS A 375 1.131 -5.146 -8.817 1.00 15.00 C ATOM 143 CD LYS A 375 2.527 -5.670 -9.155 1.00 15.00 C ATOM 144 CE LYS A 375 2.602 -7.199 -9.155 1.00 15.00 C ATOM 145 NZ LYS A 375 2.560 -7.793 -7.784 1.00 15.00 N1+ ATOM 0 H LYS A 375 -0.596 -6.422 -5.475 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.548 -3.846 -6.917 1.00 15.00 H new ATOM 0 HB2 LYS A 375 1.512 -5.137 -6.722 1.00 15.00 H new ATOM 0 HB3 LYS A 375 0.708 -6.582 -7.303 1.00 15.00 H new ATOM 0 HG2 LYS A 375 0.405 -5.567 -9.513 1.00 15.00 H new ATOM 0 HG3 LYS A 375 1.106 -4.064 -8.947 1.00 15.00 H new ATOM 0 HD2 LYS A 375 2.823 -5.296 -10.135 1.00 15.00 H new ATOM 0 HD3 LYS A 375 3.243 -5.276 -8.434 1.00 15.00 H new ATOM 0 HE2 LYS A 375 1.773 -7.596 -9.741 1.00 15.00 H new ATOM 0 HE3 LYS A 375 3.521 -7.511 -9.651 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 3.298 -8.520 -7.698 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 2.724 -7.048 -7.078 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 1.628 -8.225 -7.621 1.00 15.00 H new ATOM 159 N ASP A 376 -2.619 -4.365 -8.184 1.00 15.00 N ATOM 160 CA ASP A 376 -3.810 -4.665 -8.960 1.00 15.00 C ATOM 161 C ASP A 376 -3.640 -4.230 -10.413 1.00 15.00 C ATOM 162 O ASP A 376 -3.026 -3.187 -10.697 1.00 15.00 O ATOM 163 CB ASP A 376 -5.028 -3.977 -8.341 1.00 15.00 C ATOM 164 CG ASP A 376 -6.329 -4.423 -8.980 1.00 15.00 C ATOM 165 OD1 ASP A 376 -6.890 -5.447 -8.541 1.00 15.00 O1- ATOM 166 OD2 ASP A 376 -6.792 -3.753 -9.925 1.00 15.00 O ATOM 0 H ASP A 376 -2.528 -3.389 -7.902 1.00 15.00 H new ATOM 0 HA ASP A 376 -3.965 -5.744 -8.945 1.00 15.00 H new ATOM 0 HB2 ASP A 376 -5.059 -4.191 -7.273 1.00 15.00 H new ATOM 0 HB3 ASP A 376 -4.925 -2.897 -8.447 1.00 15.00 H new ATOM 171 N ALA A 377 -4.240 -5.003 -11.320 1.00 15.00 N ATOM 172 CA ALA A 377 -4.092 -4.798 -12.758 1.00 15.00 C ATOM 173 C ALA A 377 -4.808 -3.537 -13.236 1.00 15.00 C ATOM 174 O ALA A 377 -4.880 -3.271 -14.436 1.00 15.00 O ATOM 175 CB ALA A 377 -4.606 -6.016 -13.511 1.00 15.00 C ATOM 0 H ALA A 377 -4.842 -5.789 -11.076 1.00 15.00 H new ATOM 0 HA ALA A 377 -3.030 -4.663 -12.965 1.00 15.00 H new ATOM 0 HB1 ALA A 377 -4.492 -5.856 -14.583 1.00 15.00 H new ATOM 0 HB2 ALA A 377 -4.035 -6.896 -13.213 1.00 15.00 H new ATOM 0 HB3 ALA A 377 -5.659 -6.171 -13.277 1.00 15.00 H new ATOM 181 N LYS A 378 -5.341 -2.765 -12.297 1.00 15.00 N ATOM 182 CA LYS A 378 -5.910 -1.461 -12.608 1.00 15.00 C ATOM 183 C LYS A 378 -4.804 -0.486 -13.002 1.00 15.00 C ATOM 184 O LYS A 378 -5.069 0.634 -13.425 1.00 15.00 O ATOM 185 CB LYS A 378 -6.698 -0.923 -11.406 1.00 15.00 C ATOM 186 CG LYS A 378 -5.836 -0.572 -10.196 1.00 15.00 C ATOM 187 CD LYS A 378 -6.589 -0.734 -8.870 1.00 15.00 C ATOM 188 CE LYS A 378 -7.672 0.323 -8.643 1.00 15.00 C ATOM 189 NZ LYS A 378 -8.739 0.293 -9.681 1.00 15.00 N1+ ATOM 0 H LYS A 378 -5.391 -3.021 -11.311 1.00 15.00 H new ATOM 0 HA LYS A 378 -6.595 -1.568 -13.449 1.00 15.00 H new ATOM 0 HB2 LYS A 378 -7.248 -0.034 -11.715 1.00 15.00 H new ATOM 0 HB3 LYS A 378 -7.436 -1.667 -11.108 1.00 15.00 H new ATOM 0 HG2 LYS A 378 -4.951 -1.209 -10.188 1.00 15.00 H new ATOM 0 HG3 LYS A 378 -5.488 0.457 -10.289 1.00 15.00 H new ATOM 0 HD2 LYS A 378 -7.047 -1.723 -8.841 1.00 15.00 H new ATOM 0 HD3 LYS A 378 -5.874 -0.690 -8.049 1.00 15.00 H new ATOM 0 HE2 LYS A 378 -8.122 0.170 -7.662 1.00 15.00 H new ATOM 0 HE3 LYS A 378 -7.211 1.311 -8.631 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 -9.634 0.627 -9.269 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 -8.470 0.911 -10.473 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 -8.859 -0.680 -10.027 1.00 15.00 H new ATOM 203 N GLY A 379 -3.561 -0.931 -12.864 1.00 15.00 N ATOM 204 CA GLY A 379 -2.428 -0.091 -13.187 1.00 15.00 C ATOM 205 C GLY A 379 -1.995 0.727 -11.997 1.00 15.00 C ATOM 206 O GLY A 379 -1.411 1.802 -12.144 1.00 15.00 O ATOM 0 H GLY A 379 -3.319 -1.865 -12.532 1.00 15.00 H new ATOM 0 HA2 GLY A 379 -1.598 -0.711 -13.526 1.00 15.00 H new ATOM 0 HA3 GLY A 379 -2.688 0.573 -14.012 1.00 15.00 H new ATOM 210 N ARG A 380 -2.282 0.208 -10.812 1.00 15.00 N ATOM 211 CA ARG A 380 -1.999 0.922 -9.577 1.00 15.00 C ATOM 212 C ARG A 380 -1.678 -0.050 -8.437 1.00 15.00 C ATOM 213 O ARG A 380 -2.461 -0.952 -8.135 1.00 15.00 O ATOM 214 CB ARG A 380 -3.181 1.829 -9.205 1.00 15.00 C ATOM 215 CG ARG A 380 -3.080 3.237 -9.785 1.00 15.00 C ATOM 216 CD ARG A 380 -4.440 3.929 -9.888 1.00 15.00 C ATOM 217 NE ARG A 380 -5.181 3.499 -11.077 1.00 15.00 N ATOM 218 CZ ARG A 380 -4.809 3.771 -12.333 1.00 15.00 C ATOM 219 NH1 ARG A 380 -3.673 4.404 -12.575 1.00 15.00 N1+ ATOM 220 NH2 ARG A 380 -5.572 3.405 -13.351 1.00 15.00 N ATOM 0 H ARG A 380 -2.712 -0.708 -10.680 1.00 15.00 H new ATOM 0 HA ARG A 380 -1.119 1.545 -9.737 1.00 15.00 H new ATOM 0 HB2 ARG A 380 -4.105 1.368 -9.553 1.00 15.00 H new ATOM 0 HB3 ARG A 380 -3.248 1.897 -8.119 1.00 15.00 H new ATOM 0 HG2 ARG A 380 -2.418 3.837 -9.161 1.00 15.00 H new ATOM 0 HG3 ARG A 380 -2.626 3.187 -10.775 1.00 15.00 H new ATOM 0 HD2 ARG A 380 -5.027 3.712 -8.996 1.00 15.00 H new ATOM 0 HD3 ARG A 380 -4.297 5.009 -9.920 1.00 15.00 H new ATOM 0 HE ARG A 380 -6.035 2.958 -10.938 1.00 15.00 H new ATOM 0 HH11 ARG A 380 -3.073 4.689 -11.801 1.00 15.00 H new ATOM 0 HH12 ARG A 380 -3.397 4.607 -13.536 1.00 15.00 H new ATOM 0 HH21 ARG A 380 -6.449 2.913 -13.180 1.00 15.00 H new ATOM 0 HH22 ARG A 380 -5.283 3.615 -14.306 1.00 15.00 H new ATOM 234 N THR A 381 -0.514 0.135 -7.821 1.00 15.00 N ATOM 235 CA THR A 381 -0.096 -0.669 -6.684 1.00 15.00 C ATOM 236 C THR A 381 -0.140 0.178 -5.421 1.00 15.00 C ATOM 237 O THR A 381 0.340 1.312 -5.417 1.00 15.00 O ATOM 238 CB THR A 381 1.334 -1.204 -6.898 1.00 15.00 C ATOM 239 OG1 THR A 381 1.376 -1.985 -8.098 1.00 15.00 O ATOM 240 CG2 THR A 381 1.800 -2.045 -5.715 1.00 15.00 C ATOM 0 H THR A 381 0.163 0.846 -8.098 1.00 15.00 H new ATOM 0 HA THR A 381 -0.775 -1.516 -6.583 1.00 15.00 H new ATOM 0 HB THR A 381 2.008 -0.352 -6.986 1.00 15.00 H new ATOM 0 HG1 THR A 381 2.285 -2.324 -8.236 1.00 15.00 H new ATOM 0 HG21 THR A 381 2.812 -2.405 -5.901 1.00 15.00 H new ATOM 0 HG22 THR A 381 1.792 -1.437 -4.811 1.00 15.00 H new ATOM 0 HG23 THR A 381 1.130 -2.895 -5.587 1.00 15.00 H new ATOM 248 N TYR A 382 -0.730 -0.350 -4.359 1.00 15.00 N ATOM 249 CA TYR A 382 -0.861 0.410 -3.132 1.00 15.00 C ATOM 250 C TYR A 382 -0.414 -0.414 -1.935 1.00 15.00 C ATOM 251 O TYR A 382 -0.522 -1.645 -1.932 1.00 15.00 O ATOM 252 CB TYR A 382 -2.305 0.894 -2.958 1.00 15.00 C ATOM 253 CG TYR A 382 -3.236 -0.055 -2.238 1.00 15.00 C ATOM 254 CD1 TYR A 382 -3.592 -1.289 -2.774 1.00 15.00 C ATOM 255 CD2 TYR A 382 -3.775 0.308 -1.018 1.00 15.00 C ATOM 256 CE1 TYR A 382 -4.462 -2.129 -2.099 1.00 15.00 C ATOM 257 CE2 TYR A 382 -4.639 -0.522 -0.342 1.00 15.00 C ATOM 258 CZ TYR A 382 -4.982 -1.738 -0.882 1.00 15.00 C ATOM 259 OH TYR A 382 -5.855 -2.560 -0.209 1.00 15.00 O ATOM 0 H TYR A 382 -1.121 -1.292 -4.324 1.00 15.00 H new ATOM 0 HA TYR A 382 -0.212 1.284 -3.195 1.00 15.00 H new ATOM 0 HB2 TYR A 382 -2.288 1.839 -2.414 1.00 15.00 H new ATOM 0 HB3 TYR A 382 -2.720 1.101 -3.944 1.00 15.00 H new ATOM 0 HD1 TYR A 382 -3.185 -1.595 -3.727 1.00 15.00 H new ATOM 0 HD2 TYR A 382 -3.512 1.263 -0.587 1.00 15.00 H new ATOM 0 HE1 TYR A 382 -4.732 -3.085 -2.523 1.00 15.00 H new ATOM 0 HE2 TYR A 382 -5.047 -0.219 0.611 1.00 15.00 H new ATOM 0 HH TYR A 382 -5.380 -3.360 0.098 1.00 15.00 H new ATOM 269 N TYR A 383 0.090 0.272 -0.928 1.00 15.00 N ATOM 270 CA TYR A 383 0.549 -0.376 0.284 1.00 15.00 C ATOM 271 C TYR A 383 -0.321 0.086 1.462 1.00 15.00 C ATOM 272 O TYR A 383 -0.554 1.288 1.631 1.00 15.00 O ATOM 273 CB TYR A 383 2.021 -0.033 0.530 1.00 15.00 C ATOM 274 CG TYR A 383 2.895 -0.131 -0.705 1.00 15.00 C ATOM 275 CD1 TYR A 383 3.391 -1.355 -1.138 1.00 15.00 C ATOM 276 CD2 TYR A 383 3.226 1.005 -1.437 1.00 15.00 C ATOM 277 CE1 TYR A 383 4.191 -1.442 -2.265 1.00 15.00 C ATOM 278 CE2 TYR A 383 4.025 0.924 -2.562 1.00 15.00 C ATOM 279 CZ TYR A 383 4.504 -0.301 -2.971 1.00 15.00 C ATOM 280 OH TYR A 383 5.304 -0.384 -4.090 1.00 15.00 O ATOM 0 H TYR A 383 0.192 1.287 -0.926 1.00 15.00 H new ATOM 0 HA TYR A 383 0.462 -1.458 0.182 1.00 15.00 H new ATOM 0 HB2 TYR A 383 2.085 0.980 0.928 1.00 15.00 H new ATOM 0 HB3 TYR A 383 2.416 -0.702 1.295 1.00 15.00 H new ATOM 0 HD1 TYR A 383 3.149 -2.252 -0.587 1.00 15.00 H new ATOM 0 HD2 TYR A 383 2.852 1.967 -1.120 1.00 15.00 H new ATOM 0 HE1 TYR A 383 4.568 -2.401 -2.589 1.00 15.00 H new ATOM 0 HE2 TYR A 383 4.272 1.817 -3.117 1.00 15.00 H new ATOM 0 HH TYR A 383 5.427 0.510 -4.471 1.00 15.00 H new ATOM 290 N VAL A 384 -0.801 -0.857 2.267 1.00 15.00 N ATOM 291 CA VAL A 384 -1.731 -0.540 3.349 1.00 15.00 C ATOM 292 C VAL A 384 -1.040 -0.584 4.695 1.00 15.00 C ATOM 293 O VAL A 384 -0.721 -1.659 5.190 1.00 15.00 O ATOM 294 CB VAL A 384 -2.896 -1.533 3.403 1.00 15.00 C ATOM 295 CG1 VAL A 384 -4.210 -0.800 3.522 1.00 15.00 C ATOM 296 CG2 VAL A 384 -2.879 -2.438 2.198 1.00 15.00 C ATOM 0 H VAL A 384 -0.563 -1.846 2.192 1.00 15.00 H new ATOM 0 HA VAL A 384 -2.104 0.463 3.142 1.00 15.00 H new ATOM 0 HB VAL A 384 -2.780 -2.158 4.289 1.00 15.00 H new ATOM 0 HG11 VAL A 384 -5.027 -1.521 3.559 1.00 15.00 H new ATOM 0 HG12 VAL A 384 -4.212 -0.202 4.433 1.00 15.00 H new ATOM 0 HG13 VAL A 384 -4.342 -0.147 2.659 1.00 15.00 H new ATOM 0 HG21 VAL A 384 -3.714 -3.136 2.255 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -2.968 -1.839 1.292 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -1.942 -2.995 2.174 1.00 15.00 H new ATOM 306 N ASN A 385 -0.840 0.560 5.312 1.00 15.00 N ATOM 307 CA ASN A 385 -0.086 0.602 6.549 1.00 15.00 C ATOM 308 C ASN A 385 -0.992 0.439 7.773 1.00 15.00 C ATOM 309 O ASN A 385 -1.937 1.201 7.936 1.00 15.00 O ATOM 310 CB ASN A 385 0.648 1.926 6.688 1.00 15.00 C ATOM 311 CG ASN A 385 1.509 1.928 7.926 1.00 15.00 C ATOM 312 OD1 ASN A 385 2.003 0.756 8.290 1.00 15.00 O flip ATOM 313 ND2 ASN A 385 1.727 2.954 8.547 1.00 15.00 N flip ATOM 0 H ASN A 385 -1.183 1.463 4.984 1.00 15.00 H new ATOM 0 HA ASN A 385 0.622 -0.226 6.507 1.00 15.00 H new ATOM 0 HB2 ASN A 385 1.267 2.099 5.808 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -0.071 2.743 6.737 1.00 15.00 H new ATOM 0 HD21 ASN A 385 1.326 3.837 8.231 1.00 15.00 H new ATOM 0 HD22 ASN A 385 2.311 2.930 9.383 1.00 15.00 H new ATOM 320 N HIS A 386 -0.683 -0.513 8.663 1.00 15.00 N ATOM 321 CA HIS A 386 -1.511 -0.733 9.854 1.00 15.00 C ATOM 322 C HIS A 386 -1.039 0.169 10.973 1.00 15.00 C ATOM 323 O HIS A 386 -1.732 0.390 11.962 1.00 15.00 O ATOM 324 CB HIS A 386 -1.471 -2.199 10.334 1.00 15.00 C ATOM 325 CG HIS A 386 -1.278 -3.177 9.226 1.00 15.00 C ATOM 326 ND1 HIS A 386 -1.479 -2.822 7.925 1.00 15.00 N ATOM 327 CD2 HIS A 386 -0.763 -4.425 9.195 1.00 15.00 C ATOM 328 CE1 HIS A 386 -1.081 -3.768 7.143 1.00 15.00 C ATOM 329 NE2 HIS A 386 -0.650 -4.769 7.875 1.00 15.00 N ATOM 0 H HIS A 386 0.122 -1.134 8.583 1.00 15.00 H new ATOM 0 HA HIS A 386 -2.540 -0.500 9.581 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -0.664 -2.315 11.057 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -2.401 -2.429 10.855 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -0.493 -5.033 10.046 1.00 15.00 H new ATOM 0 HE1 HIS A 386 -1.099 -3.741 6.063 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.291 -5.655 7.519 1.00 15.00 H new ATOM 338 N ASN A 387 0.147 0.694 10.770 1.00 15.00 N ATOM 339 CA ASN A 387 0.878 1.421 11.778 1.00 15.00 C ATOM 340 C ASN A 387 0.425 2.882 11.803 1.00 15.00 C ATOM 341 O ASN A 387 0.531 3.570 12.814 1.00 15.00 O ATOM 342 CB ASN A 387 2.365 1.252 11.433 1.00 15.00 C ATOM 343 CG ASN A 387 3.335 1.831 12.460 1.00 15.00 C ATOM 344 OD1 ASN A 387 3.079 2.850 13.094 1.00 15.00 O ATOM 345 ND2 ASN A 387 4.470 1.169 12.627 1.00 15.00 N ATOM 0 H ASN A 387 0.640 0.625 9.880 1.00 15.00 H new ATOM 0 HA ASN A 387 0.695 1.043 12.784 1.00 15.00 H new ATOM 0 HB2 ASN A 387 2.577 0.189 11.314 1.00 15.00 H new ATOM 0 HB3 ASN A 387 2.555 1.724 10.469 1.00 15.00 H new ATOM 0 HD21 ASN A 387 5.161 1.503 13.298 1.00 15.00 H new ATOM 0 HD22 ASN A 387 4.653 0.325 12.084 1.00 15.00 H new ATOM 352 N ASN A 388 -0.096 3.341 10.676 1.00 15.00 N ATOM 353 CA ASN A 388 -0.647 4.689 10.576 1.00 15.00 C ATOM 354 C ASN A 388 -2.124 4.643 10.197 1.00 15.00 C ATOM 355 O ASN A 388 -2.819 5.649 10.296 1.00 15.00 O ATOM 356 CB ASN A 388 0.131 5.542 9.563 1.00 15.00 C ATOM 357 CG ASN A 388 1.544 5.875 10.017 1.00 15.00 C ATOM 358 OD1 ASN A 388 1.756 5.949 11.321 1.00 15.00 O flip ATOM 359 ND2 ASN A 388 2.441 6.068 9.196 1.00 15.00 N flip ATOM 0 H ASN A 388 -0.150 2.800 9.813 1.00 15.00 H new ATOM 0 HA ASN A 388 -0.549 5.154 11.557 1.00 15.00 H new ATOM 0 HB2 ASN A 388 0.178 5.012 8.612 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -0.414 6.469 9.385 1.00 15.00 H new ATOM 0 HD21 ASN A 388 2.241 6.003 8.198 1.00 15.00 H new ATOM 0 HD22 ASN A 388 3.384 6.293 9.514 1.00 15.00 H new ATOM 366 N ARG A 389 -2.580 3.470 9.732 1.00 15.00 N ATOM 367 CA ARG A 389 -3.953 3.293 9.238 1.00 15.00 C ATOM 368 C ARG A 389 -4.133 4.009 7.907 1.00 15.00 C ATOM 369 O ARG A 389 -4.786 5.048 7.831 1.00 15.00 O ATOM 370 CB ARG A 389 -5.012 3.771 10.249 1.00 15.00 C ATOM 371 CG ARG A 389 -5.412 2.727 11.282 1.00 15.00 C ATOM 372 CD ARG A 389 -4.260 2.352 12.201 1.00 15.00 C ATOM 373 NE ARG A 389 -3.880 3.454 13.083 1.00 15.00 N ATOM 374 CZ ARG A 389 -2.843 3.418 13.917 1.00 15.00 C ATOM 375 NH1 ARG A 389 -2.093 2.326 14.007 1.00 15.00 N1+ ATOM 376 NH2 ARG A 389 -2.559 4.468 14.674 1.00 15.00 N ATOM 0 H ARG A 389 -2.012 2.624 9.688 1.00 15.00 H new ATOM 0 HA ARG A 389 -4.105 2.223 9.098 1.00 15.00 H new ATOM 0 HB2 ARG A 389 -4.630 4.650 10.768 1.00 15.00 H new ATOM 0 HB3 ARG A 389 -5.902 4.084 9.703 1.00 15.00 H new ATOM 0 HG2 ARG A 389 -6.240 3.109 11.879 1.00 15.00 H new ATOM 0 HG3 ARG A 389 -5.772 1.834 10.772 1.00 15.00 H new ATOM 0 HD2 ARG A 389 -4.543 1.488 12.802 1.00 15.00 H new ATOM 0 HD3 ARG A 389 -3.400 2.055 11.601 1.00 15.00 H new ATOM 0 HE ARG A 389 -4.444 4.303 13.058 1.00 15.00 H new ATOM 0 HH11 ARG A 389 -2.310 1.510 13.436 1.00 15.00 H new ATOM 0 HH12 ARG A 389 -1.300 2.304 14.648 1.00 15.00 H new ATOM 0 HH21 ARG A 389 -3.136 5.307 14.619 1.00 15.00 H new ATOM 0 HH22 ARG A 389 -1.764 4.437 15.312 1.00 15.00 H new ATOM 390 N THR A 390 -3.510 3.481 6.862 1.00 15.00 N ATOM 391 CA THR A 390 -3.453 4.200 5.602 1.00 15.00 C ATOM 392 C THR A 390 -3.504 3.272 4.370 1.00 15.00 C ATOM 393 O THR A 390 -3.010 2.145 4.421 1.00 15.00 O ATOM 394 CB THR A 390 -2.154 5.045 5.577 1.00 15.00 C ATOM 395 OG1 THR A 390 -2.273 6.140 6.489 1.00 15.00 O ATOM 396 CG2 THR A 390 -1.794 5.556 4.184 1.00 15.00 C ATOM 0 H THR A 390 -3.045 2.573 6.862 1.00 15.00 H new ATOM 0 HA THR A 390 -4.336 4.836 5.540 1.00 15.00 H new ATOM 0 HB THR A 390 -1.341 4.387 5.883 1.00 15.00 H new ATOM 0 HG1 THR A 390 -1.449 6.671 6.472 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.875 6.140 4.237 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.648 4.710 3.512 1.00 15.00 H new ATOM 0 HG23 THR A 390 -2.601 6.184 3.807 1.00 15.00 H new ATOM 404 N THR A 391 -4.110 3.760 3.276 1.00 15.00 N ATOM 405 CA THR A 391 -4.090 3.097 1.987 1.00 15.00 C ATOM 406 C THR A 391 -3.561 4.098 0.953 1.00 15.00 C ATOM 407 O THR A 391 -4.183 5.139 0.729 1.00 15.00 O ATOM 408 CB THR A 391 -5.507 2.626 1.598 1.00 15.00 C ATOM 409 OG1 THR A 391 -5.573 2.351 0.201 1.00 15.00 O ATOM 410 CG2 THR A 391 -6.552 3.667 1.970 1.00 15.00 C ATOM 0 H THR A 391 -4.631 4.637 3.274 1.00 15.00 H new ATOM 0 HA THR A 391 -3.448 2.217 2.028 1.00 15.00 H new ATOM 0 HB THR A 391 -5.719 1.712 2.153 1.00 15.00 H new ATOM 0 HG1 THR A 391 -5.227 1.450 0.028 1.00 15.00 H new ATOM 0 HG21 THR A 391 -7.541 3.308 1.684 1.00 15.00 H new ATOM 0 HG22 THR A 391 -6.526 3.841 3.046 1.00 15.00 H new ATOM 0 HG23 THR A 391 -6.339 4.599 1.447 1.00 15.00 H new ATOM 418 N THR A 392 -2.403 3.835 0.355 1.00 15.00 N ATOM 419 CA THR A 392 -1.741 4.872 -0.416 1.00 15.00 C ATOM 420 C THR A 392 -0.906 4.321 -1.571 1.00 15.00 C ATOM 421 O THR A 392 -0.406 3.194 -1.512 1.00 15.00 O ATOM 422 CB THR A 392 -0.855 5.727 0.503 1.00 15.00 C ATOM 423 OG1 THR A 392 -0.352 6.864 -0.212 1.00 15.00 O ATOM 424 CG2 THR A 392 0.302 4.913 1.064 1.00 15.00 C ATOM 0 H THR A 392 -1.918 2.938 0.389 1.00 15.00 H new ATOM 0 HA THR A 392 -2.528 5.484 -0.857 1.00 15.00 H new ATOM 0 HB THR A 392 -1.467 6.069 1.337 1.00 15.00 H new ATOM 0 HG1 THR A 392 -0.220 7.610 0.410 1.00 15.00 H new ATOM 0 HG21 THR A 392 0.911 5.545 1.710 1.00 15.00 H new ATOM 0 HG22 THR A 392 -0.089 4.074 1.640 1.00 15.00 H new ATOM 0 HG23 THR A 392 0.913 4.536 0.244 1.00 15.00 H new ATOM 432 N TRP A 393 -0.791 5.123 -2.634 1.00 15.00 N ATOM 433 CA TRP A 393 0.087 4.804 -3.754 1.00 15.00 C ATOM 434 C TRP A 393 1.544 5.042 -3.378 1.00 15.00 C ATOM 435 O TRP A 393 2.452 4.497 -4.004 1.00 15.00 O ATOM 436 CB TRP A 393 -0.193 5.686 -4.981 1.00 15.00 C ATOM 437 CG TRP A 393 -1.577 5.630 -5.555 1.00 15.00 C ATOM 438 CD1 TRP A 393 -2.270 6.683 -6.078 1.00 15.00 C ATOM 439 CD2 TRP A 393 -2.425 4.485 -5.695 1.00 15.00 C ATOM 440 NE1 TRP A 393 -3.485 6.263 -6.547 1.00 15.00 N ATOM 441 CE2 TRP A 393 -3.605 4.919 -6.322 1.00 15.00 C ATOM 442 CE3 TRP A 393 -2.302 3.139 -5.359 1.00 15.00 C ATOM 443 CZ2 TRP A 393 -4.648 4.053 -6.618 1.00 15.00 C ATOM 444 CZ3 TRP A 393 -3.343 2.282 -5.650 1.00 15.00 C ATOM 445 CH2 TRP A 393 -4.501 2.742 -6.276 1.00 15.00 C ATOM 0 H TRP A 393 -1.299 6.001 -2.738 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.103 3.758 -3.993 1.00 15.00 H new ATOM 0 HB2 TRP A 393 0.021 6.720 -4.711 1.00 15.00 H new ATOM 0 HB3 TRP A 393 0.511 5.409 -5.766 1.00 15.00 H new ATOM 0 HD1 TRP A 393 -1.911 7.701 -6.116 1.00 15.00 H new ATOM 0 HE1 TRP A 393 -4.186 6.855 -6.992 1.00 15.00 H new ATOM 0 HE3 TRP A 393 -1.407 2.772 -4.879 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 -5.546 4.406 -7.103 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 -3.260 1.237 -5.389 1.00 15.00 H new ATOM 0 HH2 TRP A 393 -5.297 2.046 -6.494 1.00 15.00 H new ATOM 456 N THR A 394 1.758 5.904 -2.390 1.00 15.00 N ATOM 457 CA THR A 394 3.091 6.391 -2.090 1.00 15.00 C ATOM 458 C THR A 394 3.954 5.293 -1.478 1.00 15.00 C ATOM 459 O THR A 394 3.468 4.437 -0.733 1.00 15.00 O ATOM 460 CB THR A 394 3.052 7.635 -1.165 1.00 15.00 C ATOM 461 OG1 THR A 394 4.295 8.345 -1.241 1.00 15.00 O ATOM 462 CG2 THR A 394 2.786 7.255 0.287 1.00 15.00 C ATOM 0 H THR A 394 1.025 6.277 -1.787 1.00 15.00 H new ATOM 0 HA THR A 394 3.543 6.694 -3.035 1.00 15.00 H new ATOM 0 HB THR A 394 2.235 8.268 -1.510 1.00 15.00 H new ATOM 0 HG1 THR A 394 4.260 9.130 -0.655 1.00 15.00 H new ATOM 0 HG21 THR A 394 2.767 8.155 0.901 1.00 15.00 H new ATOM 0 HG22 THR A 394 1.825 6.746 0.360 1.00 15.00 H new ATOM 0 HG23 THR A 394 3.576 6.592 0.640 1.00 15.00 H new ATOM 470 N ARG A 395 5.235 5.309 -1.820 1.00 15.00 N ATOM 471 CA ARG A 395 6.162 4.315 -1.316 1.00 15.00 C ATOM 472 C ARG A 395 6.444 4.524 0.161 1.00 15.00 C ATOM 473 O ARG A 395 6.637 5.650 0.622 1.00 15.00 O ATOM 474 CB ARG A 395 7.470 4.332 -2.099 1.00 15.00 C ATOM 475 CG ARG A 395 7.392 3.566 -3.403 1.00 15.00 C ATOM 476 CD ARG A 395 8.720 2.907 -3.726 1.00 15.00 C ATOM 477 NE ARG A 395 9.757 3.879 -4.080 1.00 15.00 N ATOM 478 CZ ARG A 395 10.620 3.713 -5.082 1.00 15.00 C ATOM 479 NH1 ARG A 395 10.533 2.647 -5.869 1.00 15.00 N1+ ATOM 480 NH2 ARG A 395 11.552 4.628 -5.311 1.00 15.00 N ATOM 0 H ARG A 395 5.652 6.000 -2.444 1.00 15.00 H new ATOM 0 HA ARG A 395 5.690 3.341 -1.446 1.00 15.00 H new ATOM 0 HB2 ARG A 395 7.748 5.365 -2.308 1.00 15.00 H new ATOM 0 HB3 ARG A 395 8.262 3.907 -1.482 1.00 15.00 H new ATOM 0 HG2 ARG A 395 6.612 2.808 -3.337 1.00 15.00 H new ATOM 0 HG3 ARG A 395 7.112 4.243 -4.210 1.00 15.00 H new ATOM 0 HD2 ARG A 395 9.051 2.324 -2.867 1.00 15.00 H new ATOM 0 HD3 ARG A 395 8.584 2.209 -4.552 1.00 15.00 H new ATOM 0 HE ARG A 395 9.823 4.734 -3.527 1.00 15.00 H new ATOM 0 HH11 ARG A 395 9.804 1.952 -5.708 1.00 15.00 H new ATOM 0 HH12 ARG A 395 11.195 2.523 -6.635 1.00 15.00 H new ATOM 0 HH21 ARG A 395 11.608 5.458 -4.721 1.00 15.00 H new ATOM 0 HH22 ARG A 395 12.213 4.502 -6.078 1.00 15.00 H new ATOM 494 N PRO A 396 6.503 3.424 0.912 1.00 15.00 N ATOM 495 CA PRO A 396 6.743 3.453 2.352 1.00 15.00 C ATOM 496 C PRO A 396 8.164 3.874 2.705 1.00 15.00 C ATOM 497 O PRO A 396 9.136 3.222 2.325 1.00 15.00 O ATOM 498 CB PRO A 396 6.519 1.997 2.777 1.00 15.00 C ATOM 499 CG PRO A 396 5.763 1.380 1.652 1.00 15.00 C ATOM 500 CD PRO A 396 6.283 2.058 0.428 1.00 15.00 C ATOM 0 HA PRO A 396 6.095 4.175 2.849 1.00 15.00 H new ATOM 0 HB2 PRO A 396 7.466 1.484 2.944 1.00 15.00 H new ATOM 0 HB3 PRO A 396 5.957 1.940 3.709 1.00 15.00 H new ATOM 0 HG2 PRO A 396 5.927 0.303 1.608 1.00 15.00 H new ATOM 0 HG3 PRO A 396 4.690 1.534 1.764 1.00 15.00 H new ATOM 0 HD2 PRO A 396 7.203 1.599 0.066 1.00 15.00 H new ATOM 0 HD3 PRO A 396 5.567 2.026 -0.393 1.00 15.00 H new ATOM 616 N PRO B 180 -8.253 5.747 -7.665 1.00 15.00 N ATOM 617 CA PRO B 180 -7.680 5.524 -6.351 1.00 15.00 C ATOM 618 C PRO B 180 -7.706 4.206 -5.650 1.00 15.00 C ATOM 619 O PRO B 180 -8.394 3.243 -5.996 1.00 15.00 O ATOM 620 CB PRO B 180 -8.457 6.524 -5.523 1.00 15.00 C ATOM 621 CG PRO B 180 -8.123 7.624 -6.365 1.00 15.00 C ATOM 622 CD PRO B 180 -8.717 7.148 -7.687 1.00 15.00 C ATOM 0 HA PRO B 180 -6.601 5.603 -6.480 1.00 15.00 H new ATOM 0 HB2 PRO B 180 -9.526 6.317 -5.467 1.00 15.00 H new ATOM 0 HB3 PRO B 180 -8.098 6.625 -4.499 1.00 15.00 H new ATOM 0 HG2 PRO B 180 -8.567 8.559 -6.023 1.00 15.00 H new ATOM 0 HG3 PRO B 180 -7.047 7.787 -6.428 1.00 15.00 H new ATOM 0 HD2 PRO B 180 -9.804 7.230 -7.713 1.00 15.00 H new ATOM 0 HD3 PRO B 180 -8.335 7.704 -8.543 1.00 15.00 H new ATOM 630 N PRO B 181 -6.904 4.262 -4.573 1.00 15.00 N ATOM 631 CA PRO B 181 -6.619 3.158 -3.671 1.00 15.00 C ATOM 632 C PRO B 181 -7.867 2.460 -3.149 1.00 15.00 C ATOM 633 O PRO B 181 -8.870 3.099 -2.819 1.00 15.00 O ATOM 634 CB PRO B 181 -5.879 3.841 -2.507 1.00 15.00 C ATOM 635 CG PRO B 181 -6.072 5.315 -2.702 1.00 15.00 C ATOM 636 CD PRO B 181 -6.230 5.520 -4.135 1.00 15.00 C ATOM 0 HA PRO B 181 -6.055 2.373 -4.175 1.00 15.00 H new ATOM 0 HB2 PRO B 181 -6.281 3.519 -1.546 1.00 15.00 H new ATOM 0 HB3 PRO B 181 -4.820 3.582 -2.512 1.00 15.00 H new ATOM 0 HG2 PRO B 181 -6.949 5.667 -2.160 1.00 15.00 H new ATOM 0 HG3 PRO B 181 -5.217 5.873 -2.321 1.00 15.00 H new ATOM 0 HD2 PRO B 181 -6.834 6.401 -4.354 1.00 15.00 H new ATOM 0 HD3 PRO B 181 -5.270 5.660 -4.633 1.00 15.00 H new ATOM 644 N PRO B 182 -7.800 1.130 -3.069 1.00 15.00 N ATOM 645 CA PRO B 182 -8.796 0.317 -2.375 1.00 15.00 C ATOM 646 C PRO B 182 -8.685 0.543 -0.869 1.00 15.00 C ATOM 647 O PRO B 182 -7.600 0.848 -0.379 1.00 15.00 O ATOM 648 CB PRO B 182 -8.411 -1.127 -2.748 1.00 15.00 C ATOM 649 CG PRO B 182 -7.441 -1.001 -3.880 1.00 15.00 C ATOM 650 CD PRO B 182 -6.745 0.306 -3.666 1.00 15.00 C ATOM 0 HA PRO B 182 -9.823 0.555 -2.650 1.00 15.00 H new ATOM 0 HB2 PRO B 182 -7.961 -1.645 -1.901 1.00 15.00 H new ATOM 0 HB3 PRO B 182 -9.288 -1.703 -3.044 1.00 15.00 H new ATOM 0 HG2 PRO B 182 -6.731 -1.828 -3.882 1.00 15.00 H new ATOM 0 HG3 PRO B 182 -7.955 -1.019 -4.841 1.00 15.00 H new ATOM 0 HD2 PRO B 182 -5.885 0.205 -3.004 1.00 15.00 H new ATOM 0 HD3 PRO B 182 -6.379 0.729 -4.601 1.00 15.00 H new ATOM 658 N GLY B 183 -9.803 0.411 -0.151 1.00 15.00 N ATOM 659 CA GLY B 183 -9.843 0.726 1.279 1.00 15.00 C ATOM 660 C GLY B 183 -8.716 0.099 2.096 1.00 15.00 C ATOM 661 O GLY B 183 -8.056 -0.841 1.654 1.00 15.00 O ATOM 0 H GLY B 183 -10.691 0.089 -0.536 1.00 15.00 H new ATOM 0 HA2 GLY B 183 -9.805 1.808 1.401 1.00 15.00 H new ATOM 0 HA3 GLY B 183 -10.798 0.393 1.685 1.00 15.00 H new ATOM 665 N TYR B 184 -8.550 0.574 3.328 1.00 15.00 N ATOM 666 CA TYR B 184 -7.399 0.207 4.147 1.00 15.00 C ATOM 667 C TYR B 184 -7.653 -1.058 4.999 1.00 15.00 C ATOM 668 O TYR B 184 -8.665 -1.159 5.695 1.00 15.00 O ATOM 669 CB TYR B 184 -6.979 1.401 5.038 1.00 15.00 C ATOM 670 CG TYR B 184 -6.367 0.997 6.359 1.00 15.00 C ATOM 671 CD1 TYR B 184 -5.073 0.510 6.443 1.00 15.00 C ATOM 672 CD2 TYR B 184 -7.111 1.089 7.531 1.00 15.00 C ATOM 673 CE1 TYR B 184 -4.540 0.127 7.655 1.00 15.00 C ATOM 674 CE2 TYR B 184 -6.582 0.706 8.741 1.00 15.00 C ATOM 675 CZ TYR B 184 -5.297 0.227 8.800 1.00 15.00 C ATOM 676 OH TYR B 184 -4.765 -0.157 10.007 1.00 15.00 O ATOM 0 H TYR B 184 -9.200 1.216 3.782 1.00 15.00 H new ATOM 0 HA TYR B 184 -6.582 -0.038 3.469 1.00 15.00 H new ATOM 0 HB2 TYR B 184 -6.264 2.015 4.491 1.00 15.00 H new ATOM 0 HB3 TYR B 184 -7.853 2.023 5.229 1.00 15.00 H new ATOM 0 HD1 TYR B 184 -4.474 0.429 5.548 1.00 15.00 H new ATOM 0 HD2 TYR B 184 -8.122 1.468 7.490 1.00 15.00 H new ATOM 0 HE1 TYR B 184 -3.530 -0.251 7.706 1.00 15.00 H new ATOM 0 HE2 TYR B 184 -7.175 0.782 9.641 1.00 15.00 H new ATOM 0 HH TYR B 184 -5.467 -0.557 10.562 1.00 15.00 H new ATOM 686 N LEU B 185 -6.698 -2.008 4.934 1.00 15.00 N ATOM 687 CA LEU B 185 -6.751 -3.280 5.645 1.00 15.00 C ATOM 688 C LEU B 185 -7.994 -4.082 5.373 1.00 15.00 C ATOM 689 O LEU B 185 -8.873 -4.254 6.220 1.00 15.00 O ATOM 690 CB LEU B 185 -6.460 -3.162 7.137 1.00 15.00 C ATOM 691 CG LEU B 185 -4.993 -3.321 7.489 1.00 15.00 C ATOM 692 CD1 LEU B 185 -4.792 -3.188 8.989 1.00 15.00 C ATOM 693 CD2 LEU B 185 -4.477 -4.665 6.995 1.00 15.00 C ATOM 0 H LEU B 185 -5.855 -1.900 4.371 1.00 15.00 H new ATOM 0 HA LEU B 185 -5.927 -3.853 5.219 1.00 15.00 H new ATOM 0 HB2 LEU B 185 -6.805 -2.190 7.489 1.00 15.00 H new ATOM 0 HB3 LEU B 185 -7.036 -3.918 7.671 1.00 15.00 H new ATOM 0 HG LEU B 185 -4.426 -2.531 6.996 1.00 15.00 H new ATOM 0 HD11 LEU B 185 -3.734 -3.304 9.226 1.00 15.00 H new ATOM 0 HD12 LEU B 185 -5.131 -2.205 9.316 1.00 15.00 H new ATOM 0 HD13 LEU B 185 -5.366 -3.959 9.503 1.00 15.00 H new ATOM 0 HD21 LEU B 185 -3.423 -4.767 7.254 1.00 15.00 H new ATOM 0 HD22 LEU B 185 -5.045 -5.468 7.464 1.00 15.00 H new ATOM 0 HD23 LEU B 185 -4.592 -4.724 5.913 1.00 15.00 H new ATOM 705 N SER B 186 -8.071 -4.487 4.138 1.00 15.00 N ATOM 706 CA SER B 186 -8.845 -5.616 3.733 1.00 15.00 C ATOM 707 C SER B 186 -8.132 -6.177 2.527 1.00 15.00 C ATOM 708 O SER B 186 -8.284 -5.673 1.417 1.00 15.00 O ATOM 709 CB SER B 186 -10.271 -5.184 3.404 1.00 15.00 C ATOM 710 OG SER B 186 -10.983 -6.192 2.703 1.00 15.00 O ATOM 0 H SER B 186 -7.584 -4.027 3.369 1.00 15.00 H new ATOM 0 HA SER B 186 -8.931 -6.369 4.517 1.00 15.00 H new ATOM 0 HB2 SER B 186 -10.799 -4.942 4.327 1.00 15.00 H new ATOM 0 HB3 SER B 186 -10.245 -4.274 2.804 1.00 15.00 H new ATOM 0 HG SER B 186 -11.892 -5.878 2.512 1.00 15.00 H new ATOM 716 N GLU B 187 -7.348 -7.214 2.741 1.00 15.00 N ATOM 717 CA GLU B 187 -6.419 -7.649 1.719 1.00 15.00 C ATOM 718 C GLU B 187 -6.637 -9.121 1.426 1.00 15.00 C ATOM 719 O GLU B 187 -6.214 -9.992 2.186 1.00 15.00 O ATOM 720 CB GLU B 187 -4.955 -7.369 2.139 1.00 15.00 C ATOM 721 CG GLU B 187 -4.728 -5.995 2.763 1.00 15.00 C ATOM 722 CD GLU B 187 -5.169 -4.841 1.886 1.00 15.00 C ATOM 723 OE1 GLU B 187 -4.711 -4.752 0.725 1.00 15.00 O1- ATOM 724 OE2 GLU B 187 -5.973 -4.013 2.362 1.00 15.00 O ATOM 0 H GLU B 187 -7.335 -7.764 3.600 1.00 15.00 H new ATOM 0 HA GLU B 187 -6.605 -7.080 0.808 1.00 15.00 H new ATOM 0 HB2 GLU B 187 -4.642 -8.133 2.850 1.00 15.00 H new ATOM 0 HB3 GLU B 187 -4.314 -7.467 1.263 1.00 15.00 H new ATOM 0 HG2 GLU B 187 -5.265 -5.944 3.710 1.00 15.00 H new ATOM 0 HG3 GLU B 187 -3.668 -5.881 2.991 1.00 15.00 H new