USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 772 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 57 THR OG1 : rot -84:sc= -0.0344 USER MOD Set 1.2: A 81 ASN :FLIP amide:sc= -2.42 F(o=-11!,f=-2.5) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -15.2! C(o=-14!,f=-28!) USER MOD Set 2.2: A 51 TYR OH : rot -18:sc= 0.757 USER MOD Set 3.1: A 48 CYS SG : rot 42:sc= -2.22! USER MOD Set 3.2: A 86 CYS SG : rot 156:sc= -1.67! USER MOD Set 4.1: A 39 CYS SG : rot 48:sc= -3.34! USER MOD Set 4.2: A 45 CYS SG : rot -50:sc= -3.16! USER MOD Set 4.3: A 47 THR OG1 : rot 137:sc= -4.24! USER MOD Single : A 1 SER N :NH3+ -120:sc= 0.737 (180deg=0) USER MOD Single : A 1 SER OG : rot -131:sc= 0.952 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 121:sc= -2.69! USER MOD Single : A 7 SER OG : rot 140:sc= -1.51 USER MOD Single : A 8 HIS : no HD1:sc= -0.66! C(o=-0.66!,f=-4.7!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0902 K(o=-0.09,f=-2.3!) USER MOD Single : A 22 SER OG : rot 72:sc= 1.25 USER MOD Single : A 24 MET CE :methyl 149:sc= -4! (180deg=-6.54!) USER MOD Single : A 25 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.57) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= -4.54! C(o=-5.1!,f=-4.5!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -43:sc= 0.75 USER MOD Single : A 53 ASN :FLIP amide:sc= -1.78 F(o=-2.6!,f=-1.8) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.3) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot 180:sc= -0.0385 USER MOD Single : A 75 THR OG1 : rot 38:sc= -4.18! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -122:sc= -1.4! USER MOD Single : A 85 CYS SG : rot 180:sc= -1.02 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 MET CE :methyl -154:sc= -8.26! (180deg=-10.6!) USER MOD Single : A 91 THR OG1 : rot 180:sc= -4.06! USER MOD Single : A 105 GLN : amide:sc= -0.384 X(o=-0.38,f=-0.098) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.440 19.017 16.691 1.00 0.00 N ATOM 2 CA SER A 1 15.115 18.963 16.011 1.00 0.00 C ATOM 3 C SER A 1 14.814 20.318 15.370 1.00 0.00 C ATOM 4 O SER A 1 15.526 21.283 15.567 1.00 0.00 O ATOM 5 CB SER A 1 14.028 18.633 17.035 1.00 0.00 C ATOM 6 OG SER A 1 14.629 18.415 18.304 1.00 0.00 O ATOM 0 H1 SER A 1 17.074 18.308 16.272 1.00 0.00 H new ATOM 0 H2 SER A 1 16.853 19.964 16.572 1.00 0.00 H new ATOM 0 H3 SER A 1 16.319 18.817 17.704 1.00 0.00 H new ATOM 0 HA SER A 1 15.135 18.192 15.240 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.309 19.450 17.096 1.00 0.00 H new ATOM 0 HB3 SER A 1 13.476 17.746 16.724 1.00 0.00 H new ATOM 0 HG SER A 1 14.285 17.583 18.690 1.00 0.00 H new ATOM 14 N LYS A 2 13.761 20.398 14.605 1.00 0.00 N ATOM 15 CA LYS A 2 13.409 21.689 13.951 1.00 0.00 C ATOM 16 C LYS A 2 11.912 21.943 14.121 1.00 0.00 C ATOM 17 O LYS A 2 11.156 21.047 14.439 1.00 0.00 O ATOM 18 CB LYS A 2 13.747 21.613 12.462 1.00 0.00 C ATOM 19 CG LYS A 2 14.666 22.777 12.085 1.00 0.00 C ATOM 20 CD LYS A 2 15.956 22.231 11.471 1.00 0.00 C ATOM 21 CE LYS A 2 16.008 22.592 9.986 1.00 0.00 C ATOM 22 NZ LYS A 2 16.766 23.863 9.809 1.00 0.00 N ATOM 0 H LYS A 2 13.128 19.624 14.404 1.00 0.00 H new ATOM 0 HA LYS A 2 13.974 22.501 14.409 1.00 0.00 H new ATOM 0 HB2 LYS A 2 14.234 20.664 12.237 1.00 0.00 H new ATOM 0 HB3 LYS A 2 12.833 21.651 11.869 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.164 23.436 11.376 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.895 23.374 12.968 1.00 0.00 H new ATOM 0 HD2 LYS A 2 16.821 22.647 11.987 1.00 0.00 H new ATOM 0 HD3 LYS A 2 16.000 21.149 11.595 1.00 0.00 H new ATOM 0 HE2 LYS A 2 16.485 21.790 9.423 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.998 22.701 9.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 16.801 24.108 8.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 16.293 24.626 10.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.734 23.743 10.170 1.00 0.00 H new ATOM 36 N VAL A 3 11.473 23.156 13.923 1.00 0.00 N ATOM 37 CA VAL A 3 10.024 23.449 14.089 1.00 0.00 C ATOM 38 C VAL A 3 9.630 24.627 13.198 1.00 0.00 C ATOM 39 O VAL A 3 10.454 25.429 12.811 1.00 0.00 O ATOM 40 CB VAL A 3 9.759 23.788 15.559 1.00 0.00 C ATOM 41 CG1 VAL A 3 8.407 24.482 15.711 1.00 0.00 C ATOM 42 CG2 VAL A 3 9.750 22.498 16.373 1.00 0.00 C ATOM 0 H VAL A 3 12.052 23.952 13.655 1.00 0.00 H new ATOM 0 HA VAL A 3 9.431 22.581 13.799 1.00 0.00 H new ATOM 0 HB VAL A 3 10.543 24.457 15.915 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.234 24.716 16.761 1.00 0.00 H new ATOM 0 HG12 VAL A 3 8.403 25.403 15.129 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.617 23.823 15.351 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.562 22.730 17.421 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.966 21.839 16.001 1.00 0.00 H new ATOM 0 HG23 VAL A 3 10.716 22.002 16.279 1.00 0.00 H new ATOM 52 N VAL A 4 8.373 24.735 12.866 1.00 0.00 N ATOM 53 CA VAL A 4 7.920 25.866 12.003 1.00 0.00 C ATOM 54 C VAL A 4 6.422 26.070 12.203 1.00 0.00 C ATOM 55 O VAL A 4 5.633 25.189 11.950 1.00 0.00 O ATOM 56 CB VAL A 4 8.203 25.559 10.529 1.00 0.00 C ATOM 57 CG1 VAL A 4 8.563 26.854 9.800 1.00 0.00 C ATOM 58 CG2 VAL A 4 9.370 24.574 10.414 1.00 0.00 C ATOM 0 H VAL A 4 7.638 24.089 13.155 1.00 0.00 H new ATOM 0 HA VAL A 4 8.462 26.770 12.280 1.00 0.00 H new ATOM 0 HB VAL A 4 7.314 25.117 10.080 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.765 26.637 8.751 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.732 27.555 9.872 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.450 27.294 10.256 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.564 24.361 9.363 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.260 25.010 10.867 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.117 23.648 10.931 1.00 0.00 H new ATOM 68 N TYR A 5 6.022 27.224 12.661 1.00 0.00 N ATOM 69 CA TYR A 5 4.567 27.465 12.886 1.00 0.00 C ATOM 70 C TYR A 5 3.966 28.156 11.666 1.00 0.00 C ATOM 71 O TYR A 5 4.652 28.811 10.910 1.00 0.00 O ATOM 72 CB TYR A 5 4.352 28.379 14.099 1.00 0.00 C ATOM 73 CG TYR A 5 4.909 27.763 15.364 1.00 0.00 C ATOM 74 CD1 TYR A 5 6.254 27.374 15.440 1.00 0.00 C ATOM 75 CD2 TYR A 5 4.076 27.604 16.477 1.00 0.00 C ATOM 76 CE1 TYR A 5 6.759 26.830 16.625 1.00 0.00 C ATOM 77 CE2 TYR A 5 4.582 27.057 17.660 1.00 0.00 C ATOM 78 CZ TYR A 5 5.923 26.671 17.735 1.00 0.00 C ATOM 79 OH TYR A 5 6.422 26.138 18.905 1.00 0.00 O ATOM 0 H TYR A 5 6.635 28.007 12.888 1.00 0.00 H new ATOM 0 HA TYR A 5 4.088 26.501 13.060 1.00 0.00 H new ATOM 0 HB2 TYR A 5 4.832 29.341 13.920 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.287 28.572 14.226 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.900 27.495 14.583 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.040 27.904 16.422 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.796 26.532 16.683 1.00 0.00 H new ATOM 0 HE2 TYR A 5 3.936 26.933 18.517 1.00 0.00 H new ATOM 0 HH TYR A 5 6.305 26.782 19.634 1.00 0.00 H new ATOM 89 N VAL A 6 2.682 28.035 11.486 1.00 0.00 N ATOM 90 CA VAL A 6 2.026 28.710 10.333 1.00 0.00 C ATOM 91 C VAL A 6 0.923 29.620 10.851 1.00 0.00 C ATOM 92 O VAL A 6 0.538 29.561 12.001 1.00 0.00 O ATOM 93 CB VAL A 6 1.392 27.683 9.397 1.00 0.00 C ATOM 94 CG1 VAL A 6 1.012 28.368 8.079 1.00 0.00 C ATOM 95 CG2 VAL A 6 2.383 26.553 9.131 1.00 0.00 C ATOM 0 H VAL A 6 2.058 27.498 12.088 1.00 0.00 H new ATOM 0 HA VAL A 6 2.781 29.279 9.791 1.00 0.00 H new ATOM 0 HB VAL A 6 0.496 27.267 9.859 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.559 27.639 7.407 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.301 29.170 8.277 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.906 28.783 7.614 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.929 25.821 8.463 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.282 26.959 8.667 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.646 26.071 10.072 1.00 0.00 H new ATOM 105 N SER A 7 0.390 30.438 9.998 1.00 0.00 N ATOM 106 CA SER A 7 -0.708 31.328 10.409 1.00 0.00 C ATOM 107 C SER A 7 -1.884 31.045 9.486 1.00 0.00 C ATOM 108 O SER A 7 -1.726 30.460 8.434 1.00 0.00 O ATOM 109 CB SER A 7 -0.275 32.788 10.266 1.00 0.00 C ATOM 110 OG SER A 7 -0.129 33.101 8.887 1.00 0.00 O ATOM 0 H SER A 7 0.675 30.526 9.023 1.00 0.00 H new ATOM 0 HA SER A 7 -0.980 31.154 11.450 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.014 33.445 10.724 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.666 32.953 10.790 1.00 0.00 H new ATOM 0 HG SER A 7 -0.479 34.000 8.717 1.00 0.00 H new ATOM 116 N HIS A 8 -3.058 31.445 9.852 1.00 0.00 N ATOM 117 CA HIS A 8 -4.219 31.184 8.958 1.00 0.00 C ATOM 118 C HIS A 8 -4.041 31.975 7.656 1.00 0.00 C ATOM 119 O HIS A 8 -4.805 31.827 6.723 1.00 0.00 O ATOM 120 CB HIS A 8 -5.538 31.584 9.635 1.00 0.00 C ATOM 121 CG HIS A 8 -5.342 32.768 10.543 1.00 0.00 C ATOM 122 ND1 HIS A 8 -4.305 33.670 10.380 1.00 0.00 N ATOM 123 CD2 HIS A 8 -6.061 33.214 11.624 1.00 0.00 C ATOM 124 CE1 HIS A 8 -4.427 34.607 11.339 1.00 0.00 C ATOM 125 NE2 HIS A 8 -5.482 34.376 12.125 1.00 0.00 N ATOM 0 H HIS A 8 -3.270 31.937 10.720 1.00 0.00 H new ATOM 0 HA HIS A 8 -4.261 30.116 8.742 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.283 31.823 8.876 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.926 30.742 10.208 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.942 32.736 12.025 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.754 35.443 11.458 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.796 34.932 12.921 1.00 0.00 H new ATOM 133 N ASP A 9 -3.036 32.814 7.581 1.00 0.00 N ATOM 134 CA ASP A 9 -2.817 33.605 6.338 1.00 0.00 C ATOM 135 C ASP A 9 -1.557 33.116 5.610 1.00 0.00 C ATOM 136 O ASP A 9 -1.258 33.557 4.518 1.00 0.00 O ATOM 137 CB ASP A 9 -2.656 35.083 6.697 1.00 0.00 C ATOM 138 CG ASP A 9 -3.170 35.948 5.545 1.00 0.00 C ATOM 139 OD1 ASP A 9 -4.291 35.727 5.119 1.00 0.00 O ATOM 140 OD2 ASP A 9 -2.433 36.817 5.108 1.00 0.00 O ATOM 0 H ASP A 9 -2.361 32.982 8.327 1.00 0.00 H new ATOM 0 HA ASP A 9 -3.677 33.476 5.681 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -3.208 35.309 7.609 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.608 35.308 6.895 1.00 0.00 H new ATOM 145 N GLY A 10 -0.817 32.208 6.192 1.00 0.00 N ATOM 146 CA GLY A 10 0.410 31.705 5.508 1.00 0.00 C ATOM 147 C GLY A 10 1.659 32.081 6.313 1.00 0.00 C ATOM 148 O GLY A 10 2.633 31.354 6.333 1.00 0.00 O ATOM 0 H GLY A 10 -1.008 31.796 7.105 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.354 30.622 5.395 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.475 32.127 4.505 1.00 0.00 H new ATOM 152 N THR A 11 1.649 33.209 6.970 1.00 0.00 N ATOM 153 CA THR A 11 2.843 33.619 7.759 1.00 0.00 C ATOM 154 C THR A 11 3.285 32.464 8.649 1.00 0.00 C ATOM 155 O THR A 11 2.591 32.060 9.560 1.00 0.00 O ATOM 156 CB THR A 11 2.507 34.824 8.636 1.00 0.00 C ATOM 157 OG1 THR A 11 2.192 35.938 7.812 1.00 0.00 O ATOM 158 CG2 THR A 11 3.714 35.157 9.517 1.00 0.00 C ATOM 0 H THR A 11 0.866 33.863 6.994 1.00 0.00 H new ATOM 0 HA THR A 11 3.645 33.887 7.071 1.00 0.00 H new ATOM 0 HB THR A 11 1.649 34.592 9.267 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.975 36.710 8.375 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.480 36.016 10.145 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.951 34.300 10.148 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.571 35.392 8.886 1.00 0.00 H new ATOM 166 N ARG A 12 4.439 31.934 8.386 1.00 0.00 N ATOM 167 CA ARG A 12 4.947 30.801 9.207 1.00 0.00 C ATOM 168 C ARG A 12 6.409 31.052 9.584 1.00 0.00 C ATOM 169 O ARG A 12 7.258 31.221 8.732 1.00 0.00 O ATOM 170 CB ARG A 12 4.846 29.504 8.400 1.00 0.00 C ATOM 171 CG ARG A 12 5.518 29.697 7.038 1.00 0.00 C ATOM 172 CD ARG A 12 4.593 29.182 5.935 1.00 0.00 C ATOM 173 NE ARG A 12 4.764 27.708 5.790 1.00 0.00 N ATOM 174 CZ ARG A 12 3.882 27.007 5.129 1.00 0.00 C ATOM 175 NH1 ARG A 12 2.846 27.593 4.591 1.00 0.00 N ATOM 176 NH2 ARG A 12 4.037 25.717 5.005 1.00 0.00 N ATOM 0 H ARG A 12 5.059 32.236 7.634 1.00 0.00 H new ATOM 0 HA ARG A 12 4.349 30.716 10.115 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.325 28.688 8.941 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.800 29.227 8.266 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.741 30.752 6.877 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.467 29.162 7.010 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.556 29.416 6.176 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.821 29.680 4.993 1.00 0.00 H new ATOM 0 HE ARG A 12 5.572 27.246 6.208 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.724 28.601 4.686 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.159 27.042 4.076 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.846 25.258 5.424 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.349 25.168 4.489 1.00 0.00 H new ATOM 190 N ARG A 13 6.715 31.066 10.855 1.00 0.00 N ATOM 191 CA ARG A 13 8.129 31.292 11.275 1.00 0.00 C ATOM 192 C ARG A 13 8.773 29.937 11.562 1.00 0.00 C ATOM 193 O ARG A 13 8.119 28.914 11.538 1.00 0.00 O ATOM 194 CB ARG A 13 8.186 32.161 12.540 1.00 0.00 C ATOM 195 CG ARG A 13 6.865 32.914 12.724 1.00 0.00 C ATOM 196 CD ARG A 13 7.057 34.037 13.744 1.00 0.00 C ATOM 197 NE ARG A 13 6.003 35.072 13.547 1.00 0.00 N ATOM 198 CZ ARG A 13 5.785 35.971 14.470 1.00 0.00 C ATOM 199 NH1 ARG A 13 6.496 35.973 15.566 1.00 0.00 N ATOM 200 NH2 ARG A 13 4.856 36.870 14.296 1.00 0.00 N ATOM 0 H ARG A 13 6.050 30.931 11.617 1.00 0.00 H new ATOM 0 HA ARG A 13 8.663 31.808 10.477 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.381 31.536 13.411 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.010 32.870 12.466 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.533 33.326 11.771 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.088 32.229 13.063 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.004 33.636 14.756 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.045 34.482 13.629 1.00 0.00 H new ATOM 0 HE ARG A 13 5.450 35.079 12.690 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.224 35.272 15.703 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.323 36.676 16.285 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.301 36.871 13.440 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.685 37.572 15.016 1.00 0.00 H new ATOM 214 N GLN A 14 10.048 29.913 11.825 1.00 0.00 N ATOM 215 CA GLN A 14 10.715 28.609 12.102 1.00 0.00 C ATOM 216 C GLN A 14 11.577 28.713 13.364 1.00 0.00 C ATOM 217 O GLN A 14 12.323 29.656 13.543 1.00 0.00 O ATOM 218 CB GLN A 14 11.599 28.228 10.913 1.00 0.00 C ATOM 219 CG GLN A 14 12.676 29.297 10.714 1.00 0.00 C ATOM 220 CD GLN A 14 13.171 29.260 9.267 1.00 0.00 C ATOM 221 OE1 GLN A 14 12.732 28.442 8.483 1.00 0.00 O ATOM 222 NE2 GLN A 14 14.073 30.118 8.877 1.00 0.00 N ATOM 0 H GLN A 14 10.655 30.732 11.861 1.00 0.00 H new ATOM 0 HA GLN A 14 9.952 27.846 12.255 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.063 27.257 11.088 1.00 0.00 H new ATOM 0 HB3 GLN A 14 10.994 28.134 10.011 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.272 30.283 10.946 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.507 29.123 11.398 1.00 0.00 H new ATOM 0 HE21 GLN A 14 14.442 30.805 9.535 1.00 0.00 H new ATOM 0 HE22 GLN A 14 14.409 30.102 7.914 1.00 0.00 H new ATOM 231 N LEU A 15 11.491 27.740 14.235 1.00 0.00 N ATOM 232 CA LEU A 15 12.314 27.771 15.475 1.00 0.00 C ATOM 233 C LEU A 15 12.949 26.405 15.697 1.00 0.00 C ATOM 234 O LEU A 15 12.809 25.498 14.900 1.00 0.00 O ATOM 235 CB LEU A 15 11.444 28.122 16.684 1.00 0.00 C ATOM 236 CG LEU A 15 10.103 27.402 16.599 1.00 0.00 C ATOM 237 CD1 LEU A 15 9.653 27.007 18.007 1.00 0.00 C ATOM 238 CD2 LEU A 15 9.068 28.343 15.987 1.00 0.00 C ATOM 0 H LEU A 15 10.885 26.926 14.138 1.00 0.00 H new ATOM 0 HA LEU A 15 13.089 28.529 15.362 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.957 27.841 17.604 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.284 29.199 16.725 1.00 0.00 H new ATOM 0 HG LEU A 15 10.202 26.510 15.981 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.694 26.492 17.951 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.395 26.345 18.454 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.549 27.902 18.620 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.106 27.834 15.923 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.968 29.230 16.612 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.390 28.637 14.988 1.00 0.00 H new ATOM 250 N ASP A 16 13.648 26.260 16.779 1.00 0.00 N ATOM 251 CA ASP A 16 14.308 24.958 17.077 1.00 0.00 C ATOM 252 C ASP A 16 13.983 24.537 18.512 1.00 0.00 C ATOM 253 O ASP A 16 14.770 24.725 19.418 1.00 0.00 O ATOM 254 CB ASP A 16 15.823 25.107 16.921 1.00 0.00 C ATOM 255 CG ASP A 16 16.239 24.654 15.520 1.00 0.00 C ATOM 256 OD1 ASP A 16 16.524 23.479 15.359 1.00 0.00 O ATOM 257 OD2 ASP A 16 16.266 25.490 14.632 1.00 0.00 O ATOM 0 H ASP A 16 13.794 26.989 17.477 1.00 0.00 H new ATOM 0 HA ASP A 16 13.943 24.199 16.384 1.00 0.00 H new ATOM 0 HB2 ASP A 16 16.115 26.145 17.081 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.337 24.511 17.675 1.00 0.00 H new ATOM 262 N VAL A 17 12.829 23.967 18.724 1.00 0.00 N ATOM 263 CA VAL A 17 12.453 23.533 20.099 1.00 0.00 C ATOM 264 C VAL A 17 13.333 22.354 20.520 1.00 0.00 C ATOM 265 O VAL A 17 13.266 21.282 19.953 1.00 0.00 O ATOM 266 CB VAL A 17 10.984 23.109 20.112 1.00 0.00 C ATOM 267 CG1 VAL A 17 10.610 22.601 21.505 1.00 0.00 C ATOM 268 CG2 VAL A 17 10.108 24.312 19.756 1.00 0.00 C ATOM 0 H VAL A 17 12.130 23.783 18.004 1.00 0.00 H new ATOM 0 HA VAL A 17 12.598 24.358 20.796 1.00 0.00 H new ATOM 0 HB VAL A 17 10.828 22.313 19.383 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.563 22.299 21.513 1.00 0.00 H new ATOM 0 HG12 VAL A 17 11.236 21.746 21.761 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.764 23.395 22.235 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.060 24.014 19.764 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.265 25.105 20.487 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.374 24.675 18.763 1.00 0.00 H new ATOM 278 N ALA A 18 14.160 22.546 21.511 1.00 0.00 N ATOM 279 CA ALA A 18 15.048 21.442 21.971 1.00 0.00 C ATOM 280 C ALA A 18 14.215 20.192 22.258 1.00 0.00 C ATOM 281 O ALA A 18 13.002 20.209 22.191 1.00 0.00 O ATOM 282 CB ALA A 18 15.775 21.872 23.246 1.00 0.00 C ATOM 0 H ALA A 18 14.259 23.423 22.023 1.00 0.00 H new ATOM 0 HA ALA A 18 15.776 21.218 21.191 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.425 21.065 23.584 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.374 22.759 23.042 1.00 0.00 H new ATOM 0 HB3 ALA A 18 15.044 22.099 24.023 1.00 0.00 H new ATOM 288 N ASP A 19 14.864 19.108 22.581 1.00 0.00 N ATOM 289 CA ASP A 19 14.130 17.854 22.880 1.00 0.00 C ATOM 290 C ASP A 19 13.663 17.884 24.330 1.00 0.00 C ATOM 291 O ASP A 19 14.435 18.091 25.245 1.00 0.00 O ATOM 292 CB ASP A 19 15.053 16.655 22.669 1.00 0.00 C ATOM 293 CG ASP A 19 15.550 16.642 21.222 1.00 0.00 C ATOM 294 OD1 ASP A 19 14.809 17.079 20.358 1.00 0.00 O ATOM 295 OD2 ASP A 19 16.664 16.195 21.004 1.00 0.00 O ATOM 0 H ASP A 19 15.879 19.040 22.650 1.00 0.00 H new ATOM 0 HA ASP A 19 13.270 17.767 22.216 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.899 16.708 23.355 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.521 15.730 22.890 1.00 0.00 H new ATOM 300 N GLY A 20 12.402 17.682 24.537 1.00 0.00 N ATOM 301 CA GLY A 20 11.854 17.698 25.923 1.00 0.00 C ATOM 302 C GLY A 20 11.194 19.051 26.192 1.00 0.00 C ATOM 303 O GLY A 20 10.844 19.370 27.311 1.00 0.00 O ATOM 0 H GLY A 20 11.716 17.504 23.804 1.00 0.00 H new ATOM 0 HA2 GLY A 20 11.127 16.895 26.048 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.652 17.521 26.644 1.00 0.00 H new ATOM 307 N VAL A 21 11.018 19.849 25.174 1.00 0.00 N ATOM 308 CA VAL A 21 10.378 21.181 25.371 1.00 0.00 C ATOM 309 C VAL A 21 9.050 21.217 24.616 1.00 0.00 C ATOM 310 O VAL A 21 8.851 20.500 23.658 1.00 0.00 O ATOM 311 CB VAL A 21 11.288 22.286 24.829 1.00 0.00 C ATOM 312 CG1 VAL A 21 11.107 23.556 25.661 1.00 0.00 C ATOM 313 CG2 VAL A 21 12.750 21.836 24.900 1.00 0.00 C ATOM 0 H VAL A 21 11.290 19.636 24.214 1.00 0.00 H new ATOM 0 HA VAL A 21 10.210 21.342 26.436 1.00 0.00 H new ATOM 0 HB VAL A 21 11.022 22.489 23.792 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.756 24.341 25.273 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.069 23.883 25.605 1.00 0.00 H new ATOM 0 HG13 VAL A 21 11.367 23.351 26.699 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.393 22.626 24.513 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.016 21.626 25.936 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.883 20.935 24.302 1.00 0.00 H new ATOM 323 N SER A 22 8.144 22.050 25.036 1.00 0.00 N ATOM 324 CA SER A 22 6.832 22.134 24.339 1.00 0.00 C ATOM 325 C SER A 22 6.886 23.241 23.287 1.00 0.00 C ATOM 326 O SER A 22 7.339 24.336 23.555 1.00 0.00 O ATOM 327 CB SER A 22 5.733 22.450 25.355 1.00 0.00 C ATOM 328 OG SER A 22 4.582 22.925 24.669 1.00 0.00 O ATOM 0 H SER A 22 8.254 22.678 25.833 1.00 0.00 H new ATOM 0 HA SER A 22 6.616 21.181 23.855 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.486 21.558 25.930 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.083 23.200 26.065 1.00 0.00 H new ATOM 0 HG SER A 22 4.154 22.182 24.194 1.00 0.00 H new ATOM 334 N LEU A 23 6.428 22.966 22.091 1.00 0.00 N ATOM 335 CA LEU A 23 6.454 24.013 21.029 1.00 0.00 C ATOM 336 C LEU A 23 6.009 25.343 21.639 1.00 0.00 C ATOM 337 O LEU A 23 6.425 26.404 21.219 1.00 0.00 O ATOM 338 CB LEU A 23 5.498 23.629 19.892 1.00 0.00 C ATOM 339 CG LEU A 23 6.208 22.715 18.885 1.00 0.00 C ATOM 340 CD1 LEU A 23 5.329 22.547 17.645 1.00 0.00 C ATOM 341 CD2 LEU A 23 7.547 23.327 18.473 1.00 0.00 C ATOM 0 H LEU A 23 6.040 22.067 21.807 1.00 0.00 H new ATOM 0 HA LEU A 23 7.464 24.103 20.628 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.623 23.122 20.299 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.141 24.528 19.389 1.00 0.00 H new ATOM 0 HG LEU A 23 6.385 21.745 19.349 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.832 21.898 16.928 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.376 22.102 17.932 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.152 23.521 17.190 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.043 22.670 17.758 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.376 24.300 18.013 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.178 23.447 19.353 1.00 0.00 H new ATOM 353 N MET A 24 5.175 25.289 22.643 1.00 0.00 N ATOM 354 CA MET A 24 4.713 26.544 23.297 1.00 0.00 C ATOM 355 C MET A 24 5.877 27.148 24.082 1.00 0.00 C ATOM 356 O MET A 24 6.196 28.312 23.943 1.00 0.00 O ATOM 357 CB MET A 24 3.558 26.229 24.251 1.00 0.00 C ATOM 358 CG MET A 24 3.294 27.438 25.150 1.00 0.00 C ATOM 359 SD MET A 24 4.333 27.329 26.628 1.00 0.00 S ATOM 360 CE MET A 24 3.483 28.598 27.598 1.00 0.00 C ATOM 0 H MET A 24 4.794 24.429 23.037 1.00 0.00 H new ATOM 0 HA MET A 24 4.369 27.251 22.542 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.661 25.982 23.684 1.00 0.00 H new ATOM 0 HB3 MET A 24 3.801 25.357 24.858 1.00 0.00 H new ATOM 0 HG2 MET A 24 3.508 28.360 24.609 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.242 27.471 25.434 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.551 28.353 28.658 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.950 29.566 27.419 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.435 28.641 27.302 1.00 0.00 H new ATOM 370 N GLN A 25 6.523 26.361 24.901 1.00 0.00 N ATOM 371 CA GLN A 25 7.675 26.888 25.683 1.00 0.00 C ATOM 372 C GLN A 25 8.617 27.626 24.733 1.00 0.00 C ATOM 373 O GLN A 25 8.994 28.757 24.968 1.00 0.00 O ATOM 374 CB GLN A 25 8.419 25.728 26.347 1.00 0.00 C ATOM 375 CG GLN A 25 9.194 26.245 27.560 1.00 0.00 C ATOM 376 CD GLN A 25 8.210 26.691 28.643 1.00 0.00 C ATOM 377 OE1 GLN A 25 7.997 27.872 28.838 1.00 0.00 O ATOM 378 NE2 GLN A 25 7.596 25.791 29.360 1.00 0.00 N ATOM 0 H GLN A 25 6.302 25.378 25.061 1.00 0.00 H new ATOM 0 HA GLN A 25 7.319 27.570 26.455 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.712 24.958 26.655 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.103 25.266 25.635 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.848 25.463 27.947 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.833 27.079 27.268 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.774 24.800 29.197 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.937 26.078 30.084 1.00 0.00 H new ATOM 387 N ALA A 26 8.991 26.996 23.652 1.00 0.00 N ATOM 388 CA ALA A 26 9.896 27.665 22.677 1.00 0.00 C ATOM 389 C ALA A 26 9.182 28.888 22.103 1.00 0.00 C ATOM 390 O ALA A 26 9.796 29.885 21.780 1.00 0.00 O ATOM 391 CB ALA A 26 10.238 26.692 21.547 1.00 0.00 C ATOM 0 H ALA A 26 8.709 26.048 23.403 1.00 0.00 H new ATOM 0 HA ALA A 26 10.816 27.973 23.174 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.900 27.182 20.833 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.735 25.814 21.960 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.322 26.386 21.041 1.00 0.00 H new ATOM 397 N ALA A 27 7.885 28.820 21.980 1.00 0.00 N ATOM 398 CA ALA A 27 7.123 29.977 21.437 1.00 0.00 C ATOM 399 C ALA A 27 7.302 31.179 22.367 1.00 0.00 C ATOM 400 O ALA A 27 7.190 32.315 21.957 1.00 0.00 O ATOM 401 CB ALA A 27 5.640 29.612 21.352 1.00 0.00 C ATOM 0 H ALA A 27 7.319 28.010 22.233 1.00 0.00 H new ATOM 0 HA ALA A 27 7.492 30.227 20.442 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.079 30.458 20.954 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.514 28.752 20.694 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.268 29.366 22.347 1.00 0.00 H new ATOM 407 N VAL A 28 7.582 30.938 23.618 1.00 0.00 N ATOM 408 CA VAL A 28 7.771 32.071 24.569 1.00 0.00 C ATOM 409 C VAL A 28 8.888 32.980 24.052 1.00 0.00 C ATOM 410 O VAL A 28 8.782 34.190 24.078 1.00 0.00 O ATOM 411 CB VAL A 28 8.153 31.524 25.945 1.00 0.00 C ATOM 412 CG1 VAL A 28 8.633 32.672 26.836 1.00 0.00 C ATOM 413 CG2 VAL A 28 6.932 30.860 26.586 1.00 0.00 C ATOM 0 H VAL A 28 7.688 30.008 24.023 1.00 0.00 H new ATOM 0 HA VAL A 28 6.845 32.639 24.651 1.00 0.00 H new ATOM 0 HB VAL A 28 8.952 30.790 25.835 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.905 32.282 27.817 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.502 33.147 26.381 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.834 33.406 26.946 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.203 30.470 27.567 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.134 31.594 26.696 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.588 30.042 25.953 1.00 0.00 H new ATOM 423 N SER A 29 9.957 32.402 23.579 1.00 0.00 N ATOM 424 CA SER A 29 11.085 33.223 23.053 1.00 0.00 C ATOM 425 C SER A 29 10.782 33.633 21.614 1.00 0.00 C ATOM 426 O SER A 29 10.825 34.796 21.264 1.00 0.00 O ATOM 427 CB SER A 29 12.361 32.391 23.069 1.00 0.00 C ATOM 428 OG SER A 29 13.488 33.256 23.119 1.00 0.00 O ATOM 0 H SER A 29 10.099 31.393 23.534 1.00 0.00 H new ATOM 0 HA SER A 29 11.211 34.110 23.674 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.362 31.724 23.931 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.410 31.763 22.179 1.00 0.00 H new ATOM 0 HG SER A 29 14.310 32.722 23.131 1.00 0.00 H new ATOM 434 N ASN A 30 10.474 32.680 20.776 1.00 0.00 N ATOM 435 CA ASN A 30 10.164 33.003 19.355 1.00 0.00 C ATOM 436 C ASN A 30 9.045 34.045 19.303 1.00 0.00 C ATOM 437 O ASN A 30 8.829 34.690 18.296 1.00 0.00 O ATOM 438 CB ASN A 30 9.718 31.730 18.630 1.00 0.00 C ATOM 439 CG ASN A 30 10.951 30.932 18.206 1.00 0.00 C ATOM 440 OD1 ASN A 30 11.360 29.942 18.951 1.00 0.00 O flip ATOM 441 ND2 ASN A 30 11.549 31.213 17.186 1.00 0.00 N flip ATOM 0 H ASN A 30 10.424 31.690 21.016 1.00 0.00 H new ATOM 0 HA ASN A 30 11.053 33.404 18.868 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.088 31.127 19.284 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.118 31.986 17.757 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.229 31.987 16.604 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.371 30.675 16.912 1.00 0.00 H new ATOM 448 N GLY A 31 8.339 34.220 20.385 1.00 0.00 N ATOM 449 CA GLY A 31 7.237 35.226 20.405 1.00 0.00 C ATOM 450 C GLY A 31 5.994 34.656 19.721 1.00 0.00 C ATOM 451 O GLY A 31 5.129 35.386 19.279 1.00 0.00 O ATOM 0 H GLY A 31 8.476 33.710 21.258 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.002 35.500 21.434 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.556 36.136 19.898 1.00 0.00 H new ATOM 455 N ILE A 32 5.891 33.359 19.636 1.00 0.00 N ATOM 456 CA ILE A 32 4.694 32.749 18.987 1.00 0.00 C ATOM 457 C ILE A 32 3.726 32.312 20.073 1.00 0.00 C ATOM 458 O ILE A 32 2.526 32.282 19.886 1.00 0.00 O ATOM 459 CB ILE A 32 5.108 31.540 18.148 1.00 0.00 C ATOM 460 CG1 ILE A 32 6.555 31.718 17.696 1.00 0.00 C ATOM 461 CG2 ILE A 32 4.201 31.434 16.921 1.00 0.00 C ATOM 462 CD1 ILE A 32 6.977 30.522 16.846 1.00 0.00 C ATOM 0 H ILE A 32 6.582 32.695 19.987 1.00 0.00 H new ATOM 0 HA ILE A 32 4.219 33.479 18.332 1.00 0.00 H new ATOM 0 HB ILE A 32 5.017 30.632 18.744 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.657 32.639 17.122 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.209 31.809 18.563 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.497 30.572 16.323 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.166 31.315 17.243 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.293 32.340 16.321 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.010 30.651 16.524 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.892 29.609 17.435 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.331 30.451 15.971 1.00 0.00 H new ATOM 474 N TYR A 33 4.246 31.993 21.217 1.00 0.00 N ATOM 475 CA TYR A 33 3.365 31.582 22.341 1.00 0.00 C ATOM 476 C TYR A 33 2.233 32.601 22.429 1.00 0.00 C ATOM 477 O TYR A 33 1.070 32.262 22.528 1.00 0.00 O ATOM 478 CB TYR A 33 4.183 31.556 23.647 1.00 0.00 C ATOM 479 CG TYR A 33 4.071 32.874 24.388 1.00 0.00 C ATOM 480 CD1 TYR A 33 4.969 33.912 24.112 1.00 0.00 C ATOM 481 CD2 TYR A 33 3.068 33.054 25.348 1.00 0.00 C ATOM 482 CE1 TYR A 33 4.865 35.129 24.796 1.00 0.00 C ATOM 483 CE2 TYR A 33 2.964 34.270 26.033 1.00 0.00 C ATOM 484 CZ TYR A 33 3.862 35.308 25.756 1.00 0.00 C ATOM 485 OH TYR A 33 3.760 36.508 26.431 1.00 0.00 O ATOM 0 H TYR A 33 5.244 31.998 21.426 1.00 0.00 H new ATOM 0 HA TYR A 33 2.955 30.585 22.181 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.830 30.746 24.285 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.229 31.350 23.420 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.742 33.774 23.371 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.374 32.254 25.560 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.558 35.929 24.583 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.191 34.408 26.775 1.00 0.00 H new ATOM 0 HH TYR A 33 3.011 36.466 27.061 1.00 0.00 H new ATOM 495 N ASP A 34 2.582 33.854 22.370 1.00 0.00 N ATOM 496 CA ASP A 34 1.552 34.922 22.424 1.00 0.00 C ATOM 497 C ASP A 34 0.825 34.969 21.079 1.00 0.00 C ATOM 498 O ASP A 34 -0.341 35.304 21.006 1.00 0.00 O ATOM 499 CB ASP A 34 2.223 36.270 22.693 1.00 0.00 C ATOM 500 CG ASP A 34 1.183 37.388 22.592 1.00 0.00 C ATOM 501 OD1 ASP A 34 0.189 37.309 23.294 1.00 0.00 O ATOM 502 OD2 ASP A 34 1.399 38.303 21.815 1.00 0.00 O ATOM 0 H ASP A 34 3.543 34.185 22.286 1.00 0.00 H new ATOM 0 HA ASP A 34 0.841 34.714 23.224 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.678 36.270 23.684 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.025 36.439 21.974 1.00 0.00 H new ATOM 507 N ILE A 35 1.501 34.629 20.011 1.00 0.00 N ATOM 508 CA ILE A 35 0.834 34.651 18.679 1.00 0.00 C ATOM 509 C ILE A 35 -0.371 33.708 18.707 1.00 0.00 C ATOM 510 O ILE A 35 -1.247 33.780 17.868 1.00 0.00 O ATOM 511 CB ILE A 35 1.822 34.192 17.604 1.00 0.00 C ATOM 512 CG1 ILE A 35 2.849 35.298 17.353 1.00 0.00 C ATOM 513 CG2 ILE A 35 1.068 33.896 16.306 1.00 0.00 C ATOM 514 CD1 ILE A 35 3.948 34.774 16.428 1.00 0.00 C ATOM 0 H ILE A 35 2.479 34.339 20.005 1.00 0.00 H new ATOM 0 HA ILE A 35 0.501 35.664 18.451 1.00 0.00 H new ATOM 0 HB ILE A 35 2.331 33.289 17.942 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.364 36.164 16.904 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.281 35.629 18.297 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.773 33.569 15.542 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.334 33.109 16.483 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.558 34.798 15.967 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.680 35.562 16.249 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.440 33.921 16.895 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.509 34.465 15.480 1.00 0.00 H new ATOM 526 N VAL A 36 -0.421 32.825 19.667 1.00 0.00 N ATOM 527 CA VAL A 36 -1.568 31.878 19.752 1.00 0.00 C ATOM 528 C VAL A 36 -1.512 31.127 21.085 1.00 0.00 C ATOM 529 O VAL A 36 -1.039 30.010 21.159 1.00 0.00 O ATOM 530 CB VAL A 36 -1.489 30.876 18.599 1.00 0.00 C ATOM 531 CG1 VAL A 36 -0.171 30.104 18.683 1.00 0.00 C ATOM 532 CG2 VAL A 36 -2.660 29.896 18.695 1.00 0.00 C ATOM 0 H VAL A 36 0.284 32.719 20.397 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.503 32.434 19.687 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.538 31.410 17.650 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.115 29.390 17.861 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.664 30.801 18.616 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.122 29.570 19.632 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.605 29.181 17.874 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.611 29.362 19.644 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.600 30.445 18.636 1.00 0.00 H new ATOM 542 N GLY A 37 -1.992 31.730 22.139 1.00 0.00 N ATOM 543 CA GLY A 37 -1.965 31.049 23.465 1.00 0.00 C ATOM 544 C GLY A 37 -2.923 31.757 24.424 1.00 0.00 C ATOM 545 O GLY A 37 -3.563 32.729 24.072 1.00 0.00 O ATOM 0 H GLY A 37 -2.401 32.664 22.139 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.252 30.003 23.354 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.953 31.061 23.871 1.00 0.00 H new ATOM 549 N ASP A 38 -3.029 31.280 25.636 1.00 0.00 N ATOM 550 CA ASP A 38 -3.948 31.930 26.613 1.00 0.00 C ATOM 551 C ASP A 38 -3.608 31.462 28.030 1.00 0.00 C ATOM 552 O ASP A 38 -3.119 32.220 28.843 1.00 0.00 O ATOM 553 CB ASP A 38 -5.393 31.551 26.286 1.00 0.00 C ATOM 554 CG ASP A 38 -6.299 32.765 26.492 1.00 0.00 C ATOM 555 OD1 ASP A 38 -5.773 33.860 26.605 1.00 0.00 O ATOM 556 OD2 ASP A 38 -7.505 32.581 26.533 1.00 0.00 O ATOM 0 H ASP A 38 -2.520 30.470 25.990 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.832 33.012 26.551 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.464 31.202 25.256 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.718 30.729 26.924 1.00 0.00 H new ATOM 561 N CYS A 39 -3.868 30.219 28.334 1.00 0.00 N ATOM 562 CA CYS A 39 -3.564 29.710 29.701 1.00 0.00 C ATOM 563 C CYS A 39 -2.089 29.305 29.785 1.00 0.00 C ATOM 564 O CYS A 39 -1.655 28.701 30.745 1.00 0.00 O ATOM 565 CB CYS A 39 -4.456 28.501 30.007 1.00 0.00 C ATOM 566 SG CYS A 39 -3.895 27.062 29.061 1.00 0.00 S ATOM 0 H CYS A 39 -4.277 29.536 27.696 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.759 30.494 30.432 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.428 28.279 31.074 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.492 28.730 29.756 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.607 26.938 29.183 1.00 0.00 H new ATOM 571 N GLY A 40 -1.315 29.639 28.788 1.00 0.00 N ATOM 572 CA GLY A 40 0.132 29.280 28.813 1.00 0.00 C ATOM 573 C GLY A 40 0.291 27.762 28.724 1.00 0.00 C ATOM 574 O GLY A 40 -0.617 27.053 28.339 1.00 0.00 O ATOM 0 H GLY A 40 -1.622 30.145 27.957 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.649 29.758 27.981 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.592 29.650 29.729 1.00 0.00 H new ATOM 578 N GLY A 41 1.442 27.258 29.078 1.00 0.00 N ATOM 579 CA GLY A 41 1.666 25.785 29.015 1.00 0.00 C ATOM 580 C GLY A 41 0.485 25.058 29.659 1.00 0.00 C ATOM 581 O GLY A 41 0.216 23.910 29.366 1.00 0.00 O ATOM 0 H GLY A 41 2.238 27.803 29.409 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.779 25.468 27.978 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.591 25.525 29.530 1.00 0.00 H new ATOM 585 N SER A 42 -0.223 25.716 30.536 1.00 0.00 N ATOM 586 CA SER A 42 -1.385 25.058 31.197 1.00 0.00 C ATOM 587 C SER A 42 -2.402 24.637 30.134 1.00 0.00 C ATOM 588 O SER A 42 -2.225 24.888 28.958 1.00 0.00 O ATOM 589 CB SER A 42 -2.041 26.039 32.169 1.00 0.00 C ATOM 590 OG SER A 42 -1.975 25.509 33.487 1.00 0.00 O ATOM 0 H SER A 42 -0.047 26.679 30.823 1.00 0.00 H new ATOM 0 HA SER A 42 -1.044 24.179 31.744 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.535 27.004 32.127 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.079 26.211 31.885 1.00 0.00 H new ATOM 0 HG SER A 42 -2.393 26.136 34.113 1.00 0.00 H new ATOM 596 N ALA A 43 -3.465 23.997 30.536 1.00 0.00 N ATOM 597 CA ALA A 43 -4.489 23.560 29.546 1.00 0.00 C ATOM 598 C ALA A 43 -5.887 23.831 30.105 1.00 0.00 C ATOM 599 O ALA A 43 -6.465 23.005 30.783 1.00 0.00 O ATOM 600 CB ALA A 43 -4.330 22.063 29.274 1.00 0.00 C ATOM 0 H ALA A 43 -3.669 23.758 31.506 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.355 24.114 28.617 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.079 21.743 28.550 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.334 21.869 28.875 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.463 21.508 30.203 1.00 0.00 H new ATOM 606 N SER A 44 -6.436 24.983 29.828 1.00 0.00 N ATOM 607 CA SER A 44 -7.796 25.302 30.347 1.00 0.00 C ATOM 608 C SER A 44 -8.412 26.431 29.518 1.00 0.00 C ATOM 609 O SER A 44 -9.307 27.121 29.964 1.00 0.00 O ATOM 610 CB SER A 44 -7.693 25.741 31.808 1.00 0.00 C ATOM 611 OG SER A 44 -9.000 25.892 32.345 1.00 0.00 O ATOM 0 H SER A 44 -6.002 25.715 29.266 1.00 0.00 H new ATOM 0 HA SER A 44 -8.427 24.416 30.275 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.134 25.003 32.383 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.147 26.682 31.880 1.00 0.00 H new ATOM 0 HG SER A 44 -9.572 26.346 31.691 1.00 0.00 H new ATOM 617 N CYS A 45 -7.944 26.626 28.315 1.00 0.00 N ATOM 618 CA CYS A 45 -8.512 27.712 27.467 1.00 0.00 C ATOM 619 C CYS A 45 -8.865 27.149 26.084 1.00 0.00 C ATOM 620 O CYS A 45 -9.170 25.982 25.942 1.00 0.00 O ATOM 621 CB CYS A 45 -7.489 28.851 27.340 1.00 0.00 C ATOM 622 SG CYS A 45 -6.227 28.438 26.104 1.00 0.00 S ATOM 0 H CYS A 45 -7.196 26.083 27.884 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.418 28.105 27.927 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.996 29.773 27.056 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.016 29.032 28.305 1.00 0.00 H new ATOM 0 HG CYS A 45 -5.753 27.252 26.347 1.00 0.00 H new ATOM 627 N ALA A 46 -8.828 27.966 25.066 1.00 0.00 N ATOM 628 CA ALA A 46 -9.166 27.464 23.703 1.00 0.00 C ATOM 629 C ALA A 46 -8.547 28.377 22.640 1.00 0.00 C ATOM 630 O ALA A 46 -8.964 28.385 21.499 1.00 0.00 O ATOM 631 CB ALA A 46 -10.686 27.442 23.532 1.00 0.00 C ATOM 0 H ALA A 46 -8.580 28.954 25.118 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.768 26.456 23.584 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.935 27.075 22.536 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.127 26.785 24.281 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.081 28.450 23.656 1.00 0.00 H new ATOM 637 N THR A 47 -7.556 29.145 23.001 1.00 0.00 N ATOM 638 CA THR A 47 -6.915 30.050 22.006 1.00 0.00 C ATOM 639 C THR A 47 -5.762 29.316 21.318 1.00 0.00 C ATOM 640 O THR A 47 -5.321 29.694 20.252 1.00 0.00 O ATOM 641 CB THR A 47 -6.377 31.294 22.716 1.00 0.00 C ATOM 642 OG1 THR A 47 -5.070 31.029 23.205 1.00 0.00 O ATOM 643 CG2 THR A 47 -7.299 31.657 23.881 1.00 0.00 C ATOM 0 H THR A 47 -7.163 29.185 23.941 1.00 0.00 H new ATOM 0 HA THR A 47 -7.652 30.349 21.261 1.00 0.00 H new ATOM 0 HB THR A 47 -6.339 32.127 22.014 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.490 31.797 23.021 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.915 32.543 24.386 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.301 31.860 23.502 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.339 30.826 24.586 1.00 0.00 H new ATOM 651 N CYS A 48 -5.274 28.264 21.919 1.00 0.00 N ATOM 652 CA CYS A 48 -4.153 27.504 21.297 1.00 0.00 C ATOM 653 C CYS A 48 -4.704 26.457 20.323 1.00 0.00 C ATOM 654 O CYS A 48 -4.253 25.332 20.284 1.00 0.00 O ATOM 655 CB CYS A 48 -3.285 26.854 22.379 1.00 0.00 C ATOM 656 SG CYS A 48 -4.192 25.543 23.230 1.00 0.00 S ATOM 0 H CYS A 48 -5.603 27.899 22.813 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.524 28.193 20.734 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.381 26.443 21.928 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.968 27.609 23.099 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.869 24.850 22.363 1.00 0.00 H new ATOM 661 N HIS A 49 -5.678 26.843 19.531 1.00 0.00 N ATOM 662 CA HIS A 49 -6.285 25.921 18.517 1.00 0.00 C ATOM 663 C HIS A 49 -5.323 25.817 17.329 1.00 0.00 C ATOM 664 O HIS A 49 -5.629 26.260 16.239 1.00 0.00 O ATOM 665 CB HIS A 49 -7.600 26.551 18.032 1.00 0.00 C ATOM 666 CG HIS A 49 -8.319 25.635 17.088 1.00 0.00 C ATOM 667 ND1 HIS A 49 -9.149 24.625 17.528 1.00 0.00 N ATOM 668 CD2 HIS A 49 -8.363 25.585 15.718 1.00 0.00 C ATOM 669 CE1 HIS A 49 -9.642 24.015 16.447 1.00 0.00 C ATOM 670 NE2 HIS A 49 -9.205 24.562 15.318 1.00 0.00 N ATOM 0 H HIS A 49 -6.086 27.778 19.546 1.00 0.00 H new ATOM 0 HA HIS A 49 -6.467 24.935 18.944 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.239 26.772 18.887 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.392 27.499 17.536 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.823 26.243 15.053 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -10.318 23.174 16.486 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.439 24.288 14.364 1.00 0.00 H new ATOM 678 N VAL A 50 -4.159 25.265 17.511 1.00 0.00 N ATOM 679 CA VAL A 50 -3.216 25.206 16.372 1.00 0.00 C ATOM 680 C VAL A 50 -3.463 23.966 15.549 1.00 0.00 C ATOM 681 O VAL A 50 -3.847 22.926 16.045 1.00 0.00 O ATOM 682 CB VAL A 50 -1.777 25.185 16.865 1.00 0.00 C ATOM 683 CG1 VAL A 50 -1.539 26.358 17.818 1.00 0.00 C ATOM 684 CG2 VAL A 50 -1.507 23.867 17.593 1.00 0.00 C ATOM 0 H VAL A 50 -3.826 24.859 18.385 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.378 26.094 15.761 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.102 25.274 16.014 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.507 26.339 18.168 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.727 27.296 17.295 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.213 26.277 18.671 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.476 23.851 17.947 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.183 23.776 18.443 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.669 23.034 16.909 1.00 0.00 H new ATOM 694 N TYR A 51 -3.228 24.080 14.290 1.00 0.00 N ATOM 695 CA TYR A 51 -3.420 22.933 13.390 1.00 0.00 C ATOM 696 C TYR A 51 -2.041 22.419 12.979 1.00 0.00 C ATOM 697 O TYR A 51 -1.286 23.083 12.305 1.00 0.00 O ATOM 698 CB TYR A 51 -4.207 23.420 12.190 1.00 0.00 C ATOM 699 CG TYR A 51 -5.697 23.407 12.497 1.00 0.00 C ATOM 700 CD1 TYR A 51 -6.172 23.101 13.787 1.00 0.00 C ATOM 701 CD2 TYR A 51 -6.612 23.674 11.472 1.00 0.00 C ATOM 702 CE1 TYR A 51 -7.548 23.062 14.029 1.00 0.00 C ATOM 703 CE2 TYR A 51 -7.985 23.640 11.722 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.455 23.330 12.997 1.00 0.00 C ATOM 705 OH TYR A 51 -9.815 23.299 13.238 1.00 0.00 O ATOM 0 H TYR A 51 -2.905 24.935 13.836 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.966 22.119 13.867 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.892 24.429 11.925 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.000 22.785 11.329 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.475 22.897 14.587 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.253 23.908 10.481 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.913 22.824 15.017 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.684 23.854 10.927 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.989 22.808 14.068 1.00 0.00 H new ATOM 715 N VAL A 52 -1.695 21.257 13.436 1.00 0.00 N ATOM 716 CA VAL A 52 -0.342 20.701 13.146 1.00 0.00 C ATOM 717 C VAL A 52 -0.343 19.779 11.929 1.00 0.00 C ATOM 718 O VAL A 52 -1.374 19.400 11.411 1.00 0.00 O ATOM 719 CB VAL A 52 0.115 19.910 14.365 1.00 0.00 C ATOM 720 CG1 VAL A 52 1.615 19.630 14.263 1.00 0.00 C ATOM 721 CG2 VAL A 52 -0.182 20.725 15.625 1.00 0.00 C ATOM 0 H VAL A 52 -2.293 20.658 14.004 1.00 0.00 H new ATOM 0 HA VAL A 52 0.330 21.531 12.927 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.417 18.960 14.412 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.940 19.064 15.136 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.817 19.053 13.361 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.159 20.573 14.219 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.142 20.167 16.504 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.354 21.673 15.580 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.253 20.916 15.691 1.00 0.00 H new ATOM 731 N ASN A 53 0.833 19.408 11.485 1.00 0.00 N ATOM 732 CA ASN A 53 0.950 18.499 10.317 1.00 0.00 C ATOM 733 C ASN A 53 0.573 17.084 10.752 1.00 0.00 C ATOM 734 O ASN A 53 0.841 16.672 11.863 1.00 0.00 O ATOM 735 CB ASN A 53 2.392 18.508 9.805 1.00 0.00 C ATOM 736 CG ASN A 53 2.431 19.108 8.399 1.00 0.00 C ATOM 737 OD1 ASN A 53 1.921 20.292 8.194 1.00 0.00 O flip ATOM 738 ND2 ASN A 53 2.930 18.494 7.477 1.00 0.00 N flip ATOM 0 H ASN A 53 1.722 19.702 11.890 1.00 0.00 H new ATOM 0 HA ASN A 53 0.284 18.832 9.521 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.024 19.088 10.477 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.790 17.493 9.790 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.329 17.569 7.637 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.950 18.904 6.543 1.00 0.00 H new ATOM 745 N GLU A 54 -0.057 16.342 9.889 1.00 0.00 N ATOM 746 CA GLU A 54 -0.469 14.954 10.249 1.00 0.00 C ATOM 747 C GLU A 54 0.767 14.063 10.419 1.00 0.00 C ATOM 748 O GLU A 54 0.662 12.910 10.789 1.00 0.00 O ATOM 749 CB GLU A 54 -1.353 14.384 9.137 1.00 0.00 C ATOM 750 CG GLU A 54 -0.595 14.429 7.809 1.00 0.00 C ATOM 751 CD GLU A 54 -0.198 13.010 7.399 1.00 0.00 C ATOM 752 OE1 GLU A 54 -1.048 12.304 6.883 1.00 0.00 O ATOM 753 OE2 GLU A 54 0.950 12.654 7.608 1.00 0.00 O ATOM 0 H GLU A 54 -0.307 16.636 8.945 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.022 14.979 11.188 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.635 13.358 9.372 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.276 14.959 9.061 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.219 14.881 7.037 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.294 15.053 7.906 1.00 0.00 H new ATOM 760 N ALA A 55 1.935 14.577 10.144 1.00 0.00 N ATOM 761 CA ALA A 55 3.164 13.744 10.284 1.00 0.00 C ATOM 762 C ALA A 55 3.803 13.970 11.658 1.00 0.00 C ATOM 763 O ALA A 55 4.436 13.090 12.207 1.00 0.00 O ATOM 764 CB ALA A 55 4.164 14.127 9.191 1.00 0.00 C ATOM 0 H ALA A 55 2.091 15.535 9.829 1.00 0.00 H new ATOM 0 HA ALA A 55 2.893 12.693 10.187 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.063 13.519 9.291 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.717 13.954 8.212 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.425 15.181 9.290 1.00 0.00 H new ATOM 770 N PHE A 56 3.652 15.139 12.218 1.00 0.00 N ATOM 771 CA PHE A 56 4.264 15.406 13.552 1.00 0.00 C ATOM 772 C PHE A 56 3.215 15.226 14.651 1.00 0.00 C ATOM 773 O PHE A 56 3.542 15.073 15.812 1.00 0.00 O ATOM 774 CB PHE A 56 4.811 16.832 13.585 1.00 0.00 C ATOM 775 CG PHE A 56 6.044 16.905 12.718 1.00 0.00 C ATOM 776 CD1 PHE A 56 5.913 16.999 11.327 1.00 0.00 C ATOM 777 CD2 PHE A 56 7.317 16.873 13.302 1.00 0.00 C ATOM 778 CE1 PHE A 56 7.054 17.061 10.520 1.00 0.00 C ATOM 779 CE2 PHE A 56 8.458 16.935 12.493 1.00 0.00 C ATOM 780 CZ PHE A 56 8.326 17.029 11.102 1.00 0.00 C ATOM 0 H PHE A 56 3.134 15.918 11.812 1.00 0.00 H new ATOM 0 HA PHE A 56 5.079 14.703 13.722 1.00 0.00 H new ATOM 0 HB2 PHE A 56 4.057 17.533 13.227 1.00 0.00 H new ATOM 0 HB3 PHE A 56 5.053 17.119 14.608 1.00 0.00 H new ATOM 0 HD1 PHE A 56 4.931 17.024 10.877 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.418 16.801 14.375 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.953 17.134 9.447 1.00 0.00 H new ATOM 0 HE2 PHE A 56 9.440 16.910 12.942 1.00 0.00 H new ATOM 0 HZ PHE A 56 9.206 17.077 10.478 1.00 0.00 H new ATOM 790 N THR A 57 1.959 15.239 14.300 1.00 0.00 N ATOM 791 CA THR A 57 0.899 15.063 15.332 1.00 0.00 C ATOM 792 C THR A 57 1.009 13.664 15.941 1.00 0.00 C ATOM 793 O THR A 57 0.799 13.471 17.122 1.00 0.00 O ATOM 794 CB THR A 57 -0.477 15.230 14.686 1.00 0.00 C ATOM 795 OG1 THR A 57 -0.421 14.790 13.336 1.00 0.00 O ATOM 796 CG2 THR A 57 -0.886 16.702 14.729 1.00 0.00 C ATOM 0 H THR A 57 1.621 15.364 13.346 1.00 0.00 H new ATOM 0 HA THR A 57 1.026 15.812 16.114 1.00 0.00 H new ATOM 0 HB THR A 57 -1.210 14.636 15.231 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.083 15.515 12.769 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.867 16.821 14.268 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.929 17.038 15.765 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.155 17.299 14.184 1.00 0.00 H new ATOM 804 N ASP A 58 1.336 12.684 15.143 1.00 0.00 N ATOM 805 CA ASP A 58 1.459 11.298 15.676 1.00 0.00 C ATOM 806 C ASP A 58 2.601 11.240 16.692 1.00 0.00 C ATOM 807 O ASP A 58 2.396 10.950 17.854 1.00 0.00 O ATOM 808 CB ASP A 58 1.751 10.333 14.524 1.00 0.00 C ATOM 809 CG ASP A 58 0.434 9.816 13.944 1.00 0.00 C ATOM 810 OD1 ASP A 58 -0.140 10.508 13.120 1.00 0.00 O ATOM 811 OD2 ASP A 58 0.022 8.735 14.333 1.00 0.00 O ATOM 0 H ASP A 58 1.523 12.784 14.145 1.00 0.00 H new ATOM 0 HA ASP A 58 0.526 11.012 16.163 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.328 10.839 13.750 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.356 9.499 14.879 1.00 0.00 H new ATOM 816 N LYS A 59 3.803 11.513 16.265 1.00 0.00 N ATOM 817 CA LYS A 59 4.955 11.473 17.208 1.00 0.00 C ATOM 818 C LYS A 59 4.618 12.287 18.459 1.00 0.00 C ATOM 819 O LYS A 59 4.962 11.917 19.564 1.00 0.00 O ATOM 820 CB LYS A 59 6.191 12.067 16.529 1.00 0.00 C ATOM 821 CG LYS A 59 6.858 11.000 15.658 1.00 0.00 C ATOM 822 CD LYS A 59 5.863 10.502 14.608 1.00 0.00 C ATOM 823 CE LYS A 59 6.552 9.491 13.690 1.00 0.00 C ATOM 824 NZ LYS A 59 5.544 8.882 12.777 1.00 0.00 N ATOM 0 H LYS A 59 4.037 11.762 15.304 1.00 0.00 H new ATOM 0 HA LYS A 59 5.158 10.440 17.491 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.907 12.924 15.919 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.893 12.429 17.280 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.741 11.413 15.170 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.196 10.169 16.277 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.004 10.040 15.096 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.485 11.341 14.024 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.333 9.983 13.110 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.036 8.716 14.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.012 8.194 12.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.814 8.399 13.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.102 9.627 12.202 1.00 0.00 H new ATOM 838 N VAL A 60 3.947 13.394 18.294 1.00 0.00 N ATOM 839 CA VAL A 60 3.587 14.229 19.473 1.00 0.00 C ATOM 840 C VAL A 60 2.907 13.341 20.528 1.00 0.00 C ATOM 841 O VAL A 60 2.437 12.265 20.217 1.00 0.00 O ATOM 842 CB VAL A 60 2.657 15.375 19.010 1.00 0.00 C ATOM 843 CG1 VAL A 60 1.272 15.280 19.665 1.00 0.00 C ATOM 844 CG2 VAL A 60 3.295 16.716 19.379 1.00 0.00 C ATOM 0 H VAL A 60 3.633 13.756 17.393 1.00 0.00 H new ATOM 0 HA VAL A 60 4.477 14.670 19.922 1.00 0.00 H new ATOM 0 HB VAL A 60 2.528 15.293 17.931 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.647 16.102 19.315 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.807 14.331 19.397 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.377 15.340 20.748 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.645 17.529 19.056 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.432 16.769 20.459 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.263 16.807 18.885 1.00 0.00 H new ATOM 854 N PRO A 61 2.879 13.822 21.745 1.00 0.00 N ATOM 855 CA PRO A 61 2.264 13.088 22.865 1.00 0.00 C ATOM 856 C PRO A 61 0.781 12.833 22.580 1.00 0.00 C ATOM 857 O PRO A 61 0.169 13.503 21.772 1.00 0.00 O ATOM 858 CB PRO A 61 2.432 14.011 24.080 1.00 0.00 C ATOM 859 CG PRO A 61 3.187 15.280 23.607 1.00 0.00 C ATOM 860 CD PRO A 61 3.455 15.131 22.101 1.00 0.00 C ATOM 0 HA PRO A 61 2.725 12.114 23.027 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.460 14.277 24.496 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.989 13.506 24.869 1.00 0.00 H new ATOM 0 HG2 PRO A 61 2.594 16.173 23.803 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.124 15.393 24.153 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.988 15.936 21.534 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.523 15.166 21.884 1.00 0.00 H new ATOM 868 N ALA A 62 0.200 11.868 23.239 1.00 0.00 N ATOM 869 CA ALA A 62 -1.241 11.569 23.007 1.00 0.00 C ATOM 870 C ALA A 62 -2.049 11.972 24.240 1.00 0.00 C ATOM 871 O ALA A 62 -2.718 11.162 24.850 1.00 0.00 O ATOM 872 CB ALA A 62 -1.417 10.074 22.753 1.00 0.00 C ATOM 0 H ALA A 62 0.661 11.274 23.928 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.593 12.129 22.141 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.471 9.855 22.583 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.840 9.784 21.875 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.065 9.514 23.619 1.00 0.00 H new ATOM 878 N ALA A 63 -1.989 13.219 24.610 1.00 0.00 N ATOM 879 CA ALA A 63 -2.751 13.684 25.804 1.00 0.00 C ATOM 880 C ALA A 63 -4.153 13.072 25.787 1.00 0.00 C ATOM 881 O ALA A 63 -4.833 13.083 24.780 1.00 0.00 O ATOM 882 CB ALA A 63 -2.860 15.210 25.777 1.00 0.00 C ATOM 0 H ALA A 63 -1.444 13.940 24.137 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.231 13.372 26.710 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.417 15.550 26.650 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.861 15.646 25.791 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.379 15.522 24.871 1.00 0.00 H new ATOM 888 N ASN A 64 -4.591 12.537 26.894 1.00 0.00 N ATOM 889 CA ASN A 64 -5.948 11.924 26.941 1.00 0.00 C ATOM 890 C ASN A 64 -6.980 12.919 26.408 1.00 0.00 C ATOM 891 O ASN A 64 -6.643 13.989 25.941 1.00 0.00 O ATOM 892 CB ASN A 64 -6.297 11.555 28.385 1.00 0.00 C ATOM 893 CG ASN A 64 -5.681 12.580 29.339 1.00 0.00 C ATOM 894 OD1 ASN A 64 -4.816 12.250 30.127 1.00 0.00 O ATOM 895 ND2 ASN A 64 -6.092 13.818 29.302 1.00 0.00 N ATOM 0 H ASN A 64 -4.067 12.498 27.768 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.957 11.025 26.324 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.379 11.528 28.513 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.924 10.557 28.617 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.688 14.509 29.934 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.818 14.095 28.641 1.00 0.00 H new ATOM 902 N GLU A 65 -8.237 12.575 26.477 1.00 0.00 N ATOM 903 CA GLU A 65 -9.292 13.500 25.975 1.00 0.00 C ATOM 904 C GLU A 65 -9.736 14.428 27.108 1.00 0.00 C ATOM 905 O GLU A 65 -10.358 15.447 26.880 1.00 0.00 O ATOM 906 CB GLU A 65 -10.490 12.687 25.482 1.00 0.00 C ATOM 907 CG GLU A 65 -11.397 13.578 24.631 1.00 0.00 C ATOM 908 CD GLU A 65 -12.597 12.767 24.141 1.00 0.00 C ATOM 909 OE1 GLU A 65 -12.383 11.803 23.425 1.00 0.00 O ATOM 910 OE2 GLU A 65 -13.711 13.123 24.491 1.00 0.00 O ATOM 0 H GLU A 65 -8.579 11.693 26.859 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.894 14.095 25.153 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.148 11.834 24.896 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.046 12.289 26.330 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.737 14.433 25.216 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.841 13.974 23.781 1.00 0.00 H new ATOM 917 N ARG A 66 -9.422 14.085 28.327 1.00 0.00 N ATOM 918 CA ARG A 66 -9.828 14.949 29.471 1.00 0.00 C ATOM 919 C ARG A 66 -9.545 16.413 29.130 1.00 0.00 C ATOM 920 O ARG A 66 -10.441 17.231 29.069 1.00 0.00 O ATOM 921 CB ARG A 66 -9.032 14.553 30.717 1.00 0.00 C ATOM 922 CG ARG A 66 -9.858 14.857 31.968 1.00 0.00 C ATOM 923 CD ARG A 66 -10.611 13.598 32.402 1.00 0.00 C ATOM 924 NE ARG A 66 -9.634 12.522 32.730 1.00 0.00 N ATOM 925 CZ ARG A 66 -10.019 11.467 33.397 1.00 0.00 C ATOM 926 NH1 ARG A 66 -11.262 11.350 33.781 1.00 0.00 N ATOM 927 NH2 ARG A 66 -9.159 10.528 33.682 1.00 0.00 N ATOM 0 H ARG A 66 -8.902 13.245 28.580 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.893 14.820 29.664 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.784 13.492 30.681 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.090 15.100 30.749 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.207 15.199 32.772 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -10.563 15.663 31.764 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.234 13.815 33.270 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -11.278 13.268 31.606 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.662 12.609 32.433 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.935 12.084 33.560 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.559 10.525 34.302 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.188 10.618 33.384 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.458 9.704 34.203 1.00 0.00 H new ATOM 941 N GLU A 67 -8.304 16.751 28.905 1.00 0.00 N ATOM 942 CA GLU A 67 -7.966 18.162 28.568 1.00 0.00 C ATOM 943 C GLU A 67 -8.572 18.520 27.210 1.00 0.00 C ATOM 944 O GLU A 67 -8.812 19.673 26.911 1.00 0.00 O ATOM 945 CB GLU A 67 -6.445 18.321 28.505 1.00 0.00 C ATOM 946 CG GLU A 67 -5.888 18.462 29.923 1.00 0.00 C ATOM 947 CD GLU A 67 -6.025 17.129 30.661 1.00 0.00 C ATOM 948 OE1 GLU A 67 -7.074 16.901 31.241 1.00 0.00 O ATOM 949 OE2 GLU A 67 -5.079 16.359 30.634 1.00 0.00 O ATOM 0 H GLU A 67 -7.511 16.111 28.940 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.369 18.825 29.333 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.999 17.458 28.012 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.184 19.197 27.912 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.841 18.763 29.885 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.425 19.244 30.460 1.00 0.00 H new ATOM 956 N ILE A 68 -8.823 17.541 26.384 1.00 0.00 N ATOM 957 CA ILE A 68 -9.415 17.827 25.047 1.00 0.00 C ATOM 958 C ILE A 68 -10.803 18.445 25.225 1.00 0.00 C ATOM 959 O ILE A 68 -11.235 19.261 24.436 1.00 0.00 O ATOM 960 CB ILE A 68 -9.534 16.525 24.253 1.00 0.00 C ATOM 961 CG1 ILE A 68 -8.135 15.965 23.981 1.00 0.00 C ATOM 962 CG2 ILE A 68 -10.239 16.800 22.923 1.00 0.00 C ATOM 963 CD1 ILE A 68 -8.234 14.799 22.996 1.00 0.00 C ATOM 0 H ILE A 68 -8.644 16.556 26.578 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.774 18.524 24.507 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.112 15.801 24.827 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.492 16.745 23.573 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.678 15.630 24.912 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.324 15.872 22.357 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.235 17.200 23.115 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.662 17.524 22.348 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.238 14.401 22.803 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.862 14.016 23.421 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.673 15.148 22.061 1.00 0.00 H new ATOM 975 N GLY A 69 -11.506 18.062 26.256 1.00 0.00 N ATOM 976 CA GLY A 69 -12.865 18.629 26.483 1.00 0.00 C ATOM 977 C GLY A 69 -12.793 20.156 26.449 1.00 0.00 C ATOM 978 O GLY A 69 -13.537 20.807 25.743 1.00 0.00 O ATOM 0 H GLY A 69 -11.198 17.381 26.950 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.553 18.270 25.718 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.254 18.294 27.444 1.00 0.00 H new ATOM 982 N MET A 70 -11.902 20.734 27.208 1.00 0.00 N ATOM 983 CA MET A 70 -11.783 22.219 27.217 1.00 0.00 C ATOM 984 C MET A 70 -11.284 22.696 25.853 1.00 0.00 C ATOM 985 O MET A 70 -11.497 23.827 25.463 1.00 0.00 O ATOM 986 CB MET A 70 -10.791 22.645 28.302 1.00 0.00 C ATOM 987 CG MET A 70 -11.192 22.016 29.637 1.00 0.00 C ATOM 988 SD MET A 70 -9.705 21.538 30.551 1.00 0.00 S ATOM 989 CE MET A 70 -10.529 20.564 31.833 1.00 0.00 C ATOM 0 H MET A 70 -11.252 20.242 27.821 1.00 0.00 H new ATOM 0 HA MET A 70 -12.757 22.662 27.423 1.00 0.00 H new ATOM 0 HB2 MET A 70 -9.783 22.334 28.030 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.776 23.731 28.390 1.00 0.00 H new ATOM 0 HG2 MET A 70 -11.780 22.723 30.222 1.00 0.00 H new ATOM 0 HG3 MET A 70 -11.822 21.143 29.465 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.784 20.165 32.522 1.00 0.00 H new ATOM 0 HE2 MET A 70 -11.226 21.199 32.380 1.00 0.00 H new ATOM 0 HE3 MET A 70 -11.074 19.741 31.371 1.00 0.00 H new ATOM 999 N LEU A 71 -10.622 21.842 25.122 1.00 0.00 N ATOM 1000 CA LEU A 71 -10.111 22.245 23.782 1.00 0.00 C ATOM 1001 C LEU A 71 -11.173 21.949 22.720 1.00 0.00 C ATOM 1002 O LEU A 71 -11.031 22.311 21.569 1.00 0.00 O ATOM 1003 CB LEU A 71 -8.838 21.458 23.463 1.00 0.00 C ATOM 1004 CG LEU A 71 -7.739 22.424 23.018 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -8.242 23.265 21.843 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -7.369 23.346 24.182 1.00 0.00 C ATOM 0 H LEU A 71 -10.413 20.882 25.395 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.888 23.312 23.785 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.513 20.900 24.341 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.036 20.729 22.677 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.861 21.857 22.709 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.458 23.953 21.526 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.506 22.609 21.013 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.120 23.832 22.151 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.586 24.035 23.866 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.247 23.913 24.491 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.010 22.748 25.020 1.00 0.00 H new ATOM 1018 N GLU A 72 -12.237 21.294 23.097 1.00 0.00 N ATOM 1019 CA GLU A 72 -13.305 20.976 22.108 1.00 0.00 C ATOM 1020 C GLU A 72 -14.217 22.193 21.937 1.00 0.00 C ATOM 1021 O GLU A 72 -14.686 22.482 20.853 1.00 0.00 O ATOM 1022 CB GLU A 72 -14.128 19.788 22.611 1.00 0.00 C ATOM 1023 CG GLU A 72 -15.394 19.647 21.763 1.00 0.00 C ATOM 1024 CD GLU A 72 -15.018 19.640 20.281 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -13.910 19.234 19.973 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -15.844 20.042 19.478 1.00 0.00 O ATOM 0 H GLU A 72 -12.413 20.966 24.047 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.851 20.723 21.150 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -13.537 18.874 22.556 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.393 19.933 23.658 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.916 18.726 22.021 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -16.078 20.470 21.972 1.00 0.00 H new ATOM 1033 N CYS A 73 -14.472 22.910 22.997 1.00 0.00 N ATOM 1034 CA CYS A 73 -15.352 24.107 22.894 1.00 0.00 C ATOM 1035 C CYS A 73 -14.507 25.329 22.527 1.00 0.00 C ATOM 1036 O CYS A 73 -14.488 26.317 23.234 1.00 0.00 O ATOM 1037 CB CYS A 73 -16.043 24.349 24.237 1.00 0.00 C ATOM 1038 SG CYS A 73 -17.410 25.514 24.011 1.00 0.00 S ATOM 0 H CYS A 73 -14.108 22.718 23.930 1.00 0.00 H new ATOM 0 HA CYS A 73 -16.105 23.940 22.124 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -16.416 23.408 24.641 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -15.329 24.745 24.959 1.00 0.00 H new ATOM 0 HG CYS A 73 -17.999 25.718 25.152 1.00 0.00 H new ATOM 1044 N VAL A 74 -13.808 25.270 21.427 1.00 0.00 N ATOM 1045 CA VAL A 74 -12.965 26.427 21.016 1.00 0.00 C ATOM 1046 C VAL A 74 -13.756 27.322 20.060 1.00 0.00 C ATOM 1047 O VAL A 74 -14.838 26.981 19.627 1.00 0.00 O ATOM 1048 CB VAL A 74 -11.706 25.916 20.314 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -11.030 24.855 21.184 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -12.091 25.300 18.967 1.00 0.00 C ATOM 0 H VAL A 74 -13.784 24.470 20.795 1.00 0.00 H new ATOM 0 HA VAL A 74 -12.681 27.001 21.898 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.017 26.745 20.153 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.133 24.491 20.683 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.757 25.292 22.145 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.717 24.025 21.345 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -11.195 24.935 18.465 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -12.779 24.471 19.130 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.573 26.055 18.346 1.00 0.00 H new ATOM 1060 N THR A 75 -13.223 28.465 19.728 1.00 0.00 N ATOM 1061 CA THR A 75 -13.943 29.383 18.800 1.00 0.00 C ATOM 1062 C THR A 75 -14.062 28.728 17.424 1.00 0.00 C ATOM 1063 O THR A 75 -14.764 29.209 16.556 1.00 0.00 O ATOM 1064 CB THR A 75 -13.163 30.694 18.668 1.00 0.00 C ATOM 1065 OG1 THR A 75 -12.875 31.205 19.962 1.00 0.00 O ATOM 1066 CG2 THR A 75 -13.999 31.710 17.888 1.00 0.00 C ATOM 0 H THR A 75 -12.320 28.804 20.059 1.00 0.00 H new ATOM 0 HA THR A 75 -14.938 29.588 19.196 1.00 0.00 H new ATOM 0 HB THR A 75 -12.230 30.511 18.135 1.00 0.00 H new ATOM 0 HG1 THR A 75 -12.670 30.463 20.568 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.443 32.643 17.794 1.00 0.00 H new ATOM 0 HG22 THR A 75 -14.217 31.316 16.895 1.00 0.00 H new ATOM 0 HG23 THR A 75 -14.933 31.896 18.418 1.00 0.00 H new ATOM 1074 N ALA A 76 -13.379 27.637 17.212 1.00 0.00 N ATOM 1075 CA ALA A 76 -13.454 26.964 15.886 1.00 0.00 C ATOM 1076 C ALA A 76 -13.792 25.483 16.070 1.00 0.00 C ATOM 1077 O ALA A 76 -14.365 25.080 17.063 1.00 0.00 O ATOM 1078 CB ALA A 76 -12.105 27.091 15.176 1.00 0.00 C ATOM 0 H ALA A 76 -12.774 27.184 17.897 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.232 27.438 15.288 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.157 26.599 14.205 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -11.865 28.145 15.036 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.330 26.620 15.780 1.00 0.00 H new ATOM 1084 N GLU A 77 -13.430 24.673 15.115 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.705 23.221 15.202 1.00 0.00 C ATOM 1086 C GLU A 77 -12.380 22.502 15.358 1.00 0.00 C ATOM 1087 O GLU A 77 -11.374 22.962 14.871 1.00 0.00 O ATOM 1088 CB GLU A 77 -14.364 22.745 13.916 1.00 0.00 C ATOM 1089 CG GLU A 77 -13.961 23.647 12.746 1.00 0.00 C ATOM 1090 CD GLU A 77 -14.797 24.928 12.776 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -15.863 24.902 13.369 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -14.357 25.912 12.206 1.00 0.00 O ATOM 0 H GLU A 77 -12.947 24.966 14.265 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.365 23.017 16.045 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.071 21.716 13.708 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.448 22.750 14.031 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.901 23.891 12.810 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.112 23.124 11.802 1.00 0.00 H new ATOM 1099 N LEU A 78 -12.353 21.379 16.010 1.00 0.00 N ATOM 1100 CA LEU A 78 -11.052 20.679 16.157 1.00 0.00 C ATOM 1101 C LEU A 78 -10.985 19.447 15.263 1.00 0.00 C ATOM 1102 O LEU A 78 -11.959 19.017 14.678 1.00 0.00 O ATOM 1103 CB LEU A 78 -10.810 20.277 17.612 1.00 0.00 C ATOM 1104 CG LEU A 78 -9.298 20.202 17.823 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -8.885 20.996 19.060 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -8.866 18.744 17.980 1.00 0.00 C ATOM 0 H LEU A 78 -13.157 20.922 16.440 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.271 21.374 15.849 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.256 21.005 18.290 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.275 19.315 17.826 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.807 20.635 16.951 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.805 20.929 19.191 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.171 22.040 18.934 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.383 20.586 19.938 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.787 18.698 18.130 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.371 18.306 18.841 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.131 18.187 17.081 1.00 0.00 H new ATOM 1118 N LYS A 79 -9.812 18.897 15.156 1.00 0.00 N ATOM 1119 CA LYS A 79 -9.586 17.704 14.308 1.00 0.00 C ATOM 1120 C LYS A 79 -8.394 16.943 14.889 1.00 0.00 C ATOM 1121 O LYS A 79 -7.714 17.442 15.763 1.00 0.00 O ATOM 1122 CB LYS A 79 -9.268 18.142 12.866 1.00 0.00 C ATOM 1123 CG LYS A 79 -8.950 19.641 12.813 1.00 0.00 C ATOM 1124 CD LYS A 79 -8.992 20.120 11.361 1.00 0.00 C ATOM 1125 CE LYS A 79 -7.740 19.634 10.627 1.00 0.00 C ATOM 1126 NZ LYS A 79 -8.088 19.306 9.216 1.00 0.00 N ATOM 0 H LYS A 79 -8.978 19.236 15.636 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.474 17.073 14.291 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.420 17.572 12.486 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.117 17.922 12.218 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.671 20.198 13.412 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.966 19.830 13.241 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.886 19.740 10.867 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.047 21.208 11.327 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.968 20.403 10.653 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.331 18.755 11.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.238 18.976 8.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.811 18.558 9.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -8.459 20.155 8.744 1.00 0.00 H new ATOM 1140 N PRO A 80 -8.166 15.767 14.382 1.00 0.00 N ATOM 1141 CA PRO A 80 -7.045 14.928 14.831 1.00 0.00 C ATOM 1142 C PRO A 80 -5.723 15.679 14.642 1.00 0.00 C ATOM 1143 O PRO A 80 -4.693 15.283 15.151 1.00 0.00 O ATOM 1144 CB PRO A 80 -7.100 13.688 13.928 1.00 0.00 C ATOM 1145 CG PRO A 80 -8.303 13.863 12.962 1.00 0.00 C ATOM 1146 CD PRO A 80 -9.002 15.182 13.326 1.00 0.00 C ATOM 0 HA PRO A 80 -7.112 14.665 15.887 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.171 13.581 13.367 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.217 12.784 14.526 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.963 13.883 11.927 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.994 13.025 13.055 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -9.072 15.845 12.463 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -10.019 15.008 13.677 1.00 0.00 H new ATOM 1154 N ASN A 81 -5.745 16.755 13.903 1.00 0.00 N ATOM 1155 CA ASN A 81 -4.492 17.527 13.665 1.00 0.00 C ATOM 1156 C ASN A 81 -4.368 18.689 14.663 1.00 0.00 C ATOM 1157 O ASN A 81 -3.283 19.157 14.944 1.00 0.00 O ATOM 1158 CB ASN A 81 -4.515 18.083 12.240 1.00 0.00 C ATOM 1159 CG ASN A 81 -3.439 17.393 11.409 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -2.279 17.154 11.946 1.00 0.00 O flip ATOM 1161 ND2 ASN A 81 -3.656 17.068 10.259 1.00 0.00 N flip ATOM 0 H ASN A 81 -6.578 17.133 13.453 1.00 0.00 H new ATOM 0 HA ASN A 81 -3.638 16.864 13.800 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.495 17.922 11.791 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.344 19.159 12.255 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.566 17.256 9.839 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.928 16.607 9.713 1.00 0.00 H new ATOM 1168 N SER A 82 -5.462 19.170 15.192 1.00 0.00 N ATOM 1169 CA SER A 82 -5.384 20.311 16.157 1.00 0.00 C ATOM 1170 C SER A 82 -5.135 19.798 17.570 1.00 0.00 C ATOM 1171 O SER A 82 -5.449 18.670 17.897 1.00 0.00 O ATOM 1172 CB SER A 82 -6.688 21.088 16.135 1.00 0.00 C ATOM 1173 OG SER A 82 -7.531 20.545 15.130 1.00 0.00 O ATOM 0 H SER A 82 -6.403 18.826 15.000 1.00 0.00 H new ATOM 0 HA SER A 82 -4.559 20.959 15.861 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.177 21.031 17.108 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.495 22.142 15.936 1.00 0.00 H new ATOM 0 HG SER A 82 -7.766 21.246 14.487 1.00 0.00 H new ATOM 1179 N ARG A 83 -4.575 20.620 18.418 1.00 0.00 N ATOM 1180 CA ARG A 83 -4.315 20.172 19.812 1.00 0.00 C ATOM 1181 C ARG A 83 -4.101 21.391 20.704 1.00 0.00 C ATOM 1182 O ARG A 83 -4.518 22.488 20.387 1.00 0.00 O ATOM 1183 CB ARG A 83 -3.064 19.291 19.842 1.00 0.00 C ATOM 1184 CG ARG A 83 -3.411 17.932 20.453 1.00 0.00 C ATOM 1185 CD ARG A 83 -2.130 17.237 20.918 1.00 0.00 C ATOM 1186 NE ARG A 83 -1.817 17.654 22.314 1.00 0.00 N ATOM 1187 CZ ARG A 83 -0.951 16.978 23.022 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -0.356 15.934 22.510 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -0.681 17.347 24.244 1.00 0.00 N ATOM 0 H ARG A 83 -4.289 21.576 18.205 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.169 19.600 20.175 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.675 19.159 18.832 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.280 19.774 20.425 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.092 18.063 21.294 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.927 17.313 19.719 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.252 16.155 20.869 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.303 17.494 20.256 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.279 18.469 22.718 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.567 15.644 21.555 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.319 15.409 23.065 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.145 18.162 24.645 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.005 16.821 24.798 1.00 0.00 H new ATOM 1203 N LEU A 84 -3.441 21.211 21.811 1.00 0.00 N ATOM 1204 CA LEU A 84 -3.183 22.362 22.717 1.00 0.00 C ATOM 1205 C LEU A 84 -1.722 22.782 22.563 1.00 0.00 C ATOM 1206 O LEU A 84 -0.841 22.227 23.181 1.00 0.00 O ATOM 1207 CB LEU A 84 -3.456 21.972 24.180 1.00 0.00 C ATOM 1208 CG LEU A 84 -3.553 20.449 24.322 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -3.541 20.075 25.805 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -4.856 19.958 23.687 1.00 0.00 C ATOM 0 H LEU A 84 -3.069 20.316 22.128 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.846 23.186 22.453 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.659 22.352 24.818 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.383 22.434 24.519 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.705 19.983 23.820 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.610 18.992 25.908 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.615 20.424 26.261 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.390 20.542 26.305 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.925 18.875 23.788 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.704 20.424 24.189 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.869 20.225 22.630 1.00 0.00 H new ATOM 1222 N CYS A 85 -1.459 23.752 21.732 1.00 0.00 N ATOM 1223 CA CYS A 85 -0.052 24.202 21.527 1.00 0.00 C ATOM 1224 C CYS A 85 0.675 24.280 22.872 1.00 0.00 C ATOM 1225 O CYS A 85 1.884 24.180 22.939 1.00 0.00 O ATOM 1226 CB CYS A 85 -0.052 25.583 20.869 1.00 0.00 C ATOM 1227 SG CYS A 85 1.445 25.775 19.869 1.00 0.00 S ATOM 0 H CYS A 85 -2.158 24.254 21.185 1.00 0.00 H new ATOM 0 HA CYS A 85 0.462 23.487 20.884 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.937 25.700 20.244 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -0.095 26.361 21.631 1.00 0.00 H new ATOM 0 HG CYS A 85 1.445 26.948 19.308 1.00 0.00 H new ATOM 1233 N CYS A 86 -0.046 24.470 23.943 1.00 0.00 N ATOM 1234 CA CYS A 86 0.612 24.568 25.275 1.00 0.00 C ATOM 1235 C CYS A 86 1.044 23.179 25.766 1.00 0.00 C ATOM 1236 O CYS A 86 2.122 23.011 26.300 1.00 0.00 O ATOM 1237 CB CYS A 86 -0.367 25.174 26.282 1.00 0.00 C ATOM 1238 SG CYS A 86 -1.918 24.241 26.253 1.00 0.00 S ATOM 0 H CYS A 86 -1.062 24.561 23.952 1.00 0.00 H new ATOM 0 HA CYS A 86 1.494 25.201 25.183 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.064 25.152 27.283 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.555 26.220 26.039 1.00 0.00 H new ATOM 0 HG CYS A 86 -2.528 24.378 27.393 1.00 0.00 H new ATOM 1243 N GLN A 87 0.205 22.189 25.618 1.00 0.00 N ATOM 1244 CA GLN A 87 0.565 20.827 26.108 1.00 0.00 C ATOM 1245 C GLN A 87 1.290 20.017 25.024 1.00 0.00 C ATOM 1246 O GLN A 87 1.528 18.837 25.191 1.00 0.00 O ATOM 1247 CB GLN A 87 -0.709 20.087 26.518 1.00 0.00 C ATOM 1248 CG GLN A 87 -0.344 18.882 27.387 1.00 0.00 C ATOM 1249 CD GLN A 87 -0.858 19.104 28.811 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -1.933 18.657 29.157 1.00 0.00 O ATOM 1251 NE2 GLN A 87 -0.129 19.780 29.656 1.00 0.00 N ATOM 0 H GLN A 87 -0.713 22.264 25.180 1.00 0.00 H new ATOM 0 HA GLN A 87 1.235 20.936 26.961 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.370 20.757 27.067 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -1.252 19.758 25.632 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -0.779 17.974 26.969 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.737 18.742 27.397 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.774 20.155 29.365 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -0.462 19.933 30.608 1.00 0.00 H new ATOM 1260 N ILE A 88 1.659 20.620 23.925 1.00 0.00 N ATOM 1261 CA ILE A 88 2.378 19.834 22.877 1.00 0.00 C ATOM 1262 C ILE A 88 3.846 19.704 23.276 1.00 0.00 C ATOM 1263 O ILE A 88 4.373 20.518 24.007 1.00 0.00 O ATOM 1264 CB ILE A 88 2.297 20.528 21.517 1.00 0.00 C ATOM 1265 CG1 ILE A 88 0.968 21.271 21.386 1.00 0.00 C ATOM 1266 CG2 ILE A 88 2.399 19.480 20.408 1.00 0.00 C ATOM 1267 CD1 ILE A 88 -0.184 20.297 21.640 1.00 0.00 C ATOM 0 H ILE A 88 1.498 21.604 23.709 1.00 0.00 H new ATOM 0 HA ILE A 88 1.909 18.853 22.797 1.00 0.00 H new ATOM 0 HB ILE A 88 3.116 21.242 21.431 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.927 22.094 22.099 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.878 21.706 20.391 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.342 19.971 19.437 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.349 18.952 20.492 1.00 0.00 H new ATOM 0 HG23 ILE A 88 1.579 18.768 20.504 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.133 20.824 21.547 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.145 19.489 20.910 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.096 19.883 22.644 1.00 0.00 H new ATOM 1279 N ILE A 89 4.507 18.686 22.809 1.00 0.00 N ATOM 1280 CA ILE A 89 5.928 18.497 23.167 1.00 0.00 C ATOM 1281 C ILE A 89 6.771 18.283 21.907 1.00 0.00 C ATOM 1282 O ILE A 89 6.259 18.014 20.838 1.00 0.00 O ATOM 1283 CB ILE A 89 6.050 17.277 24.065 1.00 0.00 C ATOM 1284 CG1 ILE A 89 5.248 17.502 25.348 1.00 0.00 C ATOM 1285 CG2 ILE A 89 7.514 17.076 24.408 1.00 0.00 C ATOM 1286 CD1 ILE A 89 5.644 18.843 25.967 1.00 0.00 C ATOM 0 H ILE A 89 4.118 17.974 22.191 1.00 0.00 H new ATOM 0 HA ILE A 89 6.289 19.386 23.685 1.00 0.00 H new ATOM 0 HB ILE A 89 5.661 16.396 23.554 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.180 17.491 25.129 1.00 0.00 H new ATOM 0 HG13 ILE A 89 5.437 16.693 26.054 1.00 0.00 H new ATOM 0 HG21 ILE A 89 7.620 16.204 25.053 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.084 16.922 23.492 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.891 17.958 24.926 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.073 19.004 26.881 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.709 18.836 26.200 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.433 19.646 25.261 1.00 0.00 H new ATOM 1298 N MET A 90 8.065 18.393 22.035 1.00 0.00 N ATOM 1299 CA MET A 90 8.961 18.192 20.865 1.00 0.00 C ATOM 1300 C MET A 90 10.028 17.160 21.228 1.00 0.00 C ATOM 1301 O MET A 90 11.040 17.474 21.821 1.00 0.00 O ATOM 1302 CB MET A 90 9.635 19.514 20.500 1.00 0.00 C ATOM 1303 CG MET A 90 10.822 19.252 19.567 1.00 0.00 C ATOM 1304 SD MET A 90 10.621 20.211 18.047 1.00 0.00 S ATOM 1305 CE MET A 90 10.276 18.819 16.944 1.00 0.00 C ATOM 0 H MET A 90 8.542 18.616 22.909 1.00 0.00 H new ATOM 0 HA MET A 90 8.379 17.840 20.013 1.00 0.00 H new ATOM 0 HB2 MET A 90 8.918 20.176 20.014 1.00 0.00 H new ATOM 0 HB3 MET A 90 9.976 20.021 21.403 1.00 0.00 H new ATOM 0 HG2 MET A 90 11.754 19.526 20.062 1.00 0.00 H new ATOM 0 HG3 MET A 90 10.886 18.189 19.333 1.00 0.00 H new ATOM 0 HE1 MET A 90 10.566 19.081 15.926 1.00 0.00 H new ATOM 0 HE2 MET A 90 10.843 17.947 17.270 1.00 0.00 H new ATOM 0 HE3 MET A 90 9.211 18.589 16.970 1.00 0.00 H new ATOM 1315 N THR A 91 9.803 15.934 20.871 1.00 0.00 N ATOM 1316 CA THR A 91 10.794 14.867 21.184 1.00 0.00 C ATOM 1317 C THR A 91 11.898 14.876 20.123 1.00 0.00 C ATOM 1318 O THR A 91 11.693 15.354 19.025 1.00 0.00 O ATOM 1319 CB THR A 91 10.084 13.511 21.184 1.00 0.00 C ATOM 1320 OG1 THR A 91 9.824 13.114 19.845 1.00 0.00 O ATOM 1321 CG2 THR A 91 8.766 13.630 21.949 1.00 0.00 C ATOM 0 H THR A 91 8.971 15.618 20.372 1.00 0.00 H new ATOM 0 HA THR A 91 11.237 15.045 22.164 1.00 0.00 H new ATOM 0 HB THR A 91 10.717 12.766 21.665 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.371 12.245 19.844 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.258 12.666 21.951 1.00 0.00 H new ATOM 0 HG22 THR A 91 8.968 13.936 22.976 1.00 0.00 H new ATOM 0 HG23 THR A 91 8.131 14.374 21.467 1.00 0.00 H new ATOM 1329 N PRO A 92 13.043 14.349 20.483 1.00 0.00 N ATOM 1330 CA PRO A 92 14.198 14.290 19.569 1.00 0.00 C ATOM 1331 C PRO A 92 13.842 13.486 18.316 1.00 0.00 C ATOM 1332 O PRO A 92 14.551 13.510 17.330 1.00 0.00 O ATOM 1333 CB PRO A 92 15.300 13.588 20.374 1.00 0.00 C ATOM 1334 CG PRO A 92 14.740 13.302 21.791 1.00 0.00 C ATOM 1335 CD PRO A 92 13.277 13.773 21.819 1.00 0.00 C ATOM 0 HA PRO A 92 14.510 15.277 19.228 1.00 0.00 H new ATOM 0 HB2 PRO A 92 15.598 12.660 19.886 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.189 14.216 20.434 1.00 0.00 H new ATOM 0 HG2 PRO A 92 14.804 12.238 22.020 1.00 0.00 H new ATOM 0 HG3 PRO A 92 15.325 13.826 22.547 1.00 0.00 H new ATOM 0 HD2 PRO A 92 12.598 12.944 22.017 1.00 0.00 H new ATOM 0 HD3 PRO A 92 13.114 14.513 22.603 1.00 0.00 H new ATOM 1343 N GLU A 93 12.748 12.775 18.346 1.00 0.00 N ATOM 1344 CA GLU A 93 12.347 11.975 17.156 1.00 0.00 C ATOM 1345 C GLU A 93 11.672 12.890 16.132 1.00 0.00 C ATOM 1346 O GLU A 93 11.763 12.677 14.940 1.00 0.00 O ATOM 1347 CB GLU A 93 11.370 10.878 17.583 1.00 0.00 C ATOM 1348 CG GLU A 93 11.913 10.165 18.823 1.00 0.00 C ATOM 1349 CD GLU A 93 12.586 8.856 18.407 1.00 0.00 C ATOM 1350 OE1 GLU A 93 11.886 7.981 17.924 1.00 0.00 O ATOM 1351 OE2 GLU A 93 13.789 8.750 18.578 1.00 0.00 O ATOM 0 H GLU A 93 12.115 12.714 19.144 1.00 0.00 H new ATOM 0 HA GLU A 93 13.231 11.519 16.710 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.393 11.310 17.798 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.231 10.164 16.771 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.628 10.805 19.340 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.102 9.963 19.523 1.00 0.00 H new ATOM 1358 N LEU A 94 10.992 13.908 16.589 1.00 0.00 N ATOM 1359 CA LEU A 94 10.311 14.834 15.641 1.00 0.00 C ATOM 1360 C LEU A 94 11.311 15.875 15.131 1.00 0.00 C ATOM 1361 O LEU A 94 11.976 16.540 15.900 1.00 0.00 O ATOM 1362 CB LEU A 94 9.161 15.543 16.360 1.00 0.00 C ATOM 1363 CG LEU A 94 8.035 14.545 16.632 1.00 0.00 C ATOM 1364 CD1 LEU A 94 7.886 14.341 18.140 1.00 0.00 C ATOM 1365 CD2 LEU A 94 6.724 15.089 16.060 1.00 0.00 C ATOM 0 H LEU A 94 10.879 14.137 17.577 1.00 0.00 H new ATOM 0 HA LEU A 94 9.920 14.265 14.798 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.514 15.973 17.297 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.791 16.368 15.751 1.00 0.00 H new ATOM 0 HG LEU A 94 8.272 13.592 16.159 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.083 13.630 18.333 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.820 13.955 18.549 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.649 15.293 18.614 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.920 14.379 16.253 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.488 16.042 16.534 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.829 15.235 14.985 1.00 0.00 H new ATOM 1377 N ASP A 95 11.419 16.023 13.839 1.00 0.00 N ATOM 1378 CA ASP A 95 12.372 17.022 13.277 1.00 0.00 C ATOM 1379 C ASP A 95 11.685 17.793 12.147 1.00 0.00 C ATOM 1380 O ASP A 95 11.169 17.212 11.213 1.00 0.00 O ATOM 1381 CB ASP A 95 13.604 16.300 12.728 1.00 0.00 C ATOM 1382 CG ASP A 95 13.166 15.231 11.725 1.00 0.00 C ATOM 1383 OD1 ASP A 95 12.561 14.261 12.150 1.00 0.00 O ATOM 1384 OD2 ASP A 95 13.444 15.401 10.549 1.00 0.00 O ATOM 0 H ASP A 95 10.888 15.494 13.147 1.00 0.00 H new ATOM 0 HA ASP A 95 12.679 17.716 14.059 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.272 17.014 12.246 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.163 15.841 13.544 1.00 0.00 H new ATOM 1389 N GLY A 96 11.669 19.096 12.225 1.00 0.00 N ATOM 1390 CA GLY A 96 11.008 19.895 11.156 1.00 0.00 C ATOM 1391 C GLY A 96 9.495 19.710 11.254 1.00 0.00 C ATOM 1392 O GLY A 96 8.833 19.407 10.282 1.00 0.00 O ATOM 0 H GLY A 96 12.084 19.640 12.981 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.265 20.949 11.261 1.00 0.00 H new ATOM 0 HA3 GLY A 96 11.363 19.577 10.176 1.00 0.00 H new ATOM 1396 N ILE A 97 8.942 19.889 12.423 1.00 0.00 N ATOM 1397 CA ILE A 97 7.469 19.720 12.578 1.00 0.00 C ATOM 1398 C ILE A 97 6.765 20.932 11.966 1.00 0.00 C ATOM 1399 O ILE A 97 7.356 21.981 11.801 1.00 0.00 O ATOM 1400 CB ILE A 97 7.104 19.568 14.074 1.00 0.00 C ATOM 1401 CG1 ILE A 97 6.696 20.919 14.677 1.00 0.00 C ATOM 1402 CG2 ILE A 97 8.309 19.033 14.849 1.00 0.00 C ATOM 1403 CD1 ILE A 97 5.243 21.226 14.309 1.00 0.00 C ATOM 0 H ILE A 97 9.444 20.144 13.274 1.00 0.00 H new ATOM 0 HA ILE A 97 7.143 18.818 12.061 1.00 0.00 H new ATOM 0 HB ILE A 97 6.267 18.874 14.148 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.810 20.895 15.761 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.351 21.707 14.305 1.00 0.00 H new ATOM 0 HG21 ILE A 97 8.047 18.928 15.902 1.00 0.00 H new ATOM 0 HG22 ILE A 97 8.597 18.061 14.448 1.00 0.00 H new ATOM 0 HG23 ILE A 97 9.143 19.728 14.750 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.954 22.186 14.738 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.144 21.268 13.224 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.595 20.443 14.702 1.00 0.00 H new ATOM 1415 N VAL A 98 5.514 20.805 11.624 1.00 0.00 N ATOM 1416 CA VAL A 98 4.807 21.963 11.023 1.00 0.00 C ATOM 1417 C VAL A 98 3.532 22.266 11.806 1.00 0.00 C ATOM 1418 O VAL A 98 2.527 21.600 11.664 1.00 0.00 O ATOM 1419 CB VAL A 98 4.444 21.647 9.575 1.00 0.00 C ATOM 1420 CG1 VAL A 98 4.053 22.942 8.862 1.00 0.00 C ATOM 1421 CG2 VAL A 98 5.650 21.019 8.872 1.00 0.00 C ATOM 0 H VAL A 98 4.957 19.958 11.734 1.00 0.00 H new ATOM 0 HA VAL A 98 5.464 22.832 11.057 1.00 0.00 H new ATOM 0 HB VAL A 98 3.608 20.948 9.550 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.792 22.723 7.827 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.196 23.390 9.365 1.00 0.00 H new ATOM 0 HG13 VAL A 98 4.892 23.638 8.886 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.391 20.793 7.838 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.487 21.717 8.892 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.932 20.099 9.385 1.00 0.00 H new ATOM 1431 N VAL A 99 3.560 23.288 12.610 1.00 0.00 N ATOM 1432 CA VAL A 99 2.347 23.663 13.382 1.00 0.00 C ATOM 1433 C VAL A 99 1.614 24.748 12.599 1.00 0.00 C ATOM 1434 O VAL A 99 2.203 25.445 11.797 1.00 0.00 O ATOM 1435 CB VAL A 99 2.718 24.197 14.777 1.00 0.00 C ATOM 1436 CG1 VAL A 99 2.271 23.191 15.839 1.00 0.00 C ATOM 1437 CG2 VAL A 99 4.232 24.408 14.892 1.00 0.00 C ATOM 0 H VAL A 99 4.374 23.882 12.766 1.00 0.00 H new ATOM 0 HA VAL A 99 1.718 22.784 13.520 1.00 0.00 H new ATOM 0 HB VAL A 99 2.217 25.153 14.928 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.532 23.566 16.828 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.192 23.052 15.777 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.770 22.237 15.669 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.472 24.786 15.886 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.745 23.460 14.730 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.557 25.129 14.142 1.00 0.00 H new ATOM 1447 N ASP A 100 0.343 24.902 12.814 1.00 0.00 N ATOM 1448 CA ASP A 100 -0.401 25.949 12.065 1.00 0.00 C ATOM 1449 C ASP A 100 -1.244 26.761 13.035 1.00 0.00 C ATOM 1450 O ASP A 100 -1.264 26.513 14.224 1.00 0.00 O ATOM 1451 CB ASP A 100 -1.306 25.304 11.013 1.00 0.00 C ATOM 1452 CG ASP A 100 -0.499 24.296 10.191 1.00 0.00 C ATOM 1453 OD1 ASP A 100 0.717 24.382 10.214 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -1.112 23.456 9.553 1.00 0.00 O ATOM 0 H ASP A 100 -0.212 24.354 13.471 1.00 0.00 H new ATOM 0 HA ASP A 100 0.312 26.603 11.563 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.145 24.805 11.497 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -1.724 26.070 10.360 1.00 0.00 H new ATOM 1459 N VAL A 101 -1.930 27.740 12.533 1.00 0.00 N ATOM 1460 CA VAL A 101 -2.769 28.589 13.430 1.00 0.00 C ATOM 1461 C VAL A 101 -4.252 28.330 13.157 1.00 0.00 C ATOM 1462 O VAL A 101 -4.641 28.061 12.038 1.00 0.00 O ATOM 1463 CB VAL A 101 -2.432 30.076 13.182 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -3.501 30.999 13.779 1.00 0.00 C ATOM 1465 CG2 VAL A 101 -1.080 30.396 13.822 1.00 0.00 C ATOM 0 H VAL A 101 -1.951 27.994 11.545 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.560 28.340 14.470 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.397 30.244 12.106 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -3.233 32.038 13.587 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.466 30.782 13.321 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.565 30.834 14.855 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.835 31.444 13.651 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.131 30.206 14.894 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.309 29.766 13.378 1.00 0.00 H new ATOM 1475 N PRO A 102 -5.039 28.426 14.203 1.00 0.00 N ATOM 1476 CA PRO A 102 -6.491 28.214 14.118 1.00 0.00 C ATOM 1477 C PRO A 102 -7.099 29.116 13.041 1.00 0.00 C ATOM 1478 O PRO A 102 -6.398 29.805 12.327 1.00 0.00 O ATOM 1479 CB PRO A 102 -7.026 28.609 15.491 1.00 0.00 C ATOM 1480 CG PRO A 102 -5.806 28.816 16.421 1.00 0.00 C ATOM 1481 CD PRO A 102 -4.545 28.754 15.554 1.00 0.00 C ATOM 0 HA PRO A 102 -6.740 27.186 13.855 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.617 29.522 15.424 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.682 27.833 15.885 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.873 29.777 16.931 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -5.778 28.047 17.193 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.012 29.705 15.561 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -3.851 27.996 15.917 1.00 0.00 H new ATOM 1489 N ASP A 103 -8.398 29.137 12.936 1.00 0.00 N ATOM 1490 CA ASP A 103 -9.048 30.018 11.927 1.00 0.00 C ATOM 1491 C ASP A 103 -9.604 31.245 12.646 1.00 0.00 C ATOM 1492 O ASP A 103 -9.791 32.297 12.066 1.00 0.00 O ATOM 1493 CB ASP A 103 -10.182 29.263 11.234 1.00 0.00 C ATOM 1494 CG ASP A 103 -10.468 29.905 9.876 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -9.927 30.968 9.619 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -11.224 29.323 9.115 1.00 0.00 O ATOM 0 H ASP A 103 -9.037 28.582 13.505 1.00 0.00 H new ATOM 0 HA ASP A 103 -8.322 30.324 11.173 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.909 28.216 11.103 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -11.078 29.283 11.854 1.00 0.00 H new ATOM 1501 N ARG A 104 -9.840 31.112 13.917 1.00 0.00 N ATOM 1502 CA ARG A 104 -10.357 32.256 14.722 1.00 0.00 C ATOM 1503 C ARG A 104 -9.504 32.384 15.984 1.00 0.00 C ATOM 1504 O ARG A 104 -8.469 31.761 16.107 1.00 0.00 O ATOM 1505 CB ARG A 104 -11.824 32.027 15.116 1.00 0.00 C ATOM 1506 CG ARG A 104 -12.104 30.534 15.314 1.00 0.00 C ATOM 1507 CD ARG A 104 -13.092 30.058 14.248 1.00 0.00 C ATOM 1508 NE ARG A 104 -12.706 30.632 12.928 1.00 0.00 N ATOM 1509 CZ ARG A 104 -13.240 30.169 11.829 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -14.116 29.202 11.881 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -12.896 30.675 10.676 1.00 0.00 N ATOM 0 H ARG A 104 -9.696 30.250 14.442 1.00 0.00 H new ATOM 0 HA ARG A 104 -10.302 33.168 14.128 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -12.048 32.569 16.035 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -12.480 32.426 14.342 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.176 29.966 15.245 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.513 30.358 16.309 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.094 28.969 14.198 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -14.104 30.367 14.510 1.00 0.00 H new ATOM 0 HE ARG A 104 -12.023 31.388 12.882 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -14.385 28.806 12.781 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -14.531 28.843 11.021 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -12.212 31.430 10.634 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -13.312 30.315 9.817 1.00 0.00 H new ATOM 1525 N GLN A 105 -9.927 33.177 16.928 1.00 0.00 N ATOM 1526 CA GLN A 105 -9.132 33.324 18.178 1.00 0.00 C ATOM 1527 C GLN A 105 -10.047 33.107 19.384 1.00 0.00 C ATOM 1528 O GLN A 105 -10.109 32.029 19.939 1.00 0.00 O ATOM 1529 CB GLN A 105 -8.528 34.729 18.238 1.00 0.00 C ATOM 1530 CG GLN A 105 -7.098 34.693 17.695 1.00 0.00 C ATOM 1531 CD GLN A 105 -6.165 35.422 18.664 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -5.044 35.004 18.876 1.00 0.00 O ATOM 1533 NE2 GLN A 105 -6.583 36.502 19.265 1.00 0.00 N ATOM 0 H GLN A 105 -10.785 33.727 16.889 1.00 0.00 H new ATOM 0 HA GLN A 105 -8.329 32.587 18.191 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -9.133 35.422 17.653 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.529 35.093 19.265 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.772 33.661 17.567 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.059 35.164 16.713 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.524 36.853 19.087 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.969 36.995 19.913 1.00 0.00 H new ATOM 1542 N TRP A 106 -10.761 34.124 19.786 1.00 0.00 N ATOM 1543 CA TRP A 106 -11.679 33.983 20.954 1.00 0.00 C ATOM 1544 C TRP A 106 -12.020 35.370 21.502 1.00 0.00 C ATOM 1545 O TRP A 106 -13.138 35.546 21.960 1.00 0.00 O ATOM 1546 CB TRP A 106 -11.002 33.156 22.049 1.00 0.00 C ATOM 1547 CG TRP A 106 -11.676 31.825 22.152 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -11.100 30.637 21.855 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -13.038 31.525 22.574 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -12.023 29.628 22.066 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -13.232 30.125 22.511 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -14.113 32.325 23.001 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -14.449 29.539 22.858 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -15.340 31.738 23.352 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -15.508 30.348 23.281 1.00 0.00 C ATOM 1556 OXT TRP A 106 -11.158 36.232 21.456 1.00 0.00 O ATOM 0 H TRP A 106 -10.748 35.048 19.355 1.00 0.00 H new ATOM 0 HA TRP A 106 -12.592 33.479 20.636 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -9.945 33.024 21.820 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -11.058 33.680 23.003 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -10.086 30.499 21.510 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -11.833 28.638 21.912 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -13.994 33.397 23.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -14.573 28.468 22.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -16.159 32.361 23.679 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -16.454 29.903 23.553 1.00 0.00 H new