USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=25 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 49 HIS : no HE2:sc= -6.38! C(o=-9.5!,f=-12!) USER MOD Set 1.2: A 51 TYR OH : rot 152:sc= -3.07! USER MOD Set 2.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 30 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.5!) USER MOD Single : A 1 SER N :NH3+ -133:sc= 1.04 (180deg=0.0303) USER MOD Single : A 1 SER OG : rot 47:sc= -2.34! USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.976 USER MOD Single : A 7 SER OG : rot -36:sc= -1.57 USER MOD Single : A 8 HIS : no HD1:sc= -2.79! C(o=-2.8!,f=-8.2!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= -0.0864 USER MOD Single : A 24 MET CE :methyl 157:sc= 0 (180deg=-0.293) USER MOD Single : A 25 GLN : amide:sc= -0.573 X(o=-0.57,f=-0.19) USER MOD Single : A 33 TYR OH : rot 80:sc= -2.28! USER MOD Single : A 42 SER OG : rot -47:sc= 0.437 USER MOD Single : A 44 SER OG : rot 64:sc= 0.2 USER MOD Single : A 47 THR OG1 : rot -100:sc= 0.735 USER MOD Single : A 53 ASN : amide:sc= -12.1! C(o=-12!,f=-19!) USER MOD Single : A 57 THR OG1 : rot 160:sc= -0.62 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN :FLIP amide:sc= -5.07! C(o=-10!,f=-5.1!) USER MOD Single : A 70 MET CE :methyl 134:sc= -2.24! (180deg=-6.59!) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -70:sc= -3.16! USER MOD Single : A 79 LYS NZ :NH3+ 141:sc= -0.248 (180deg=-1.33!) USER MOD Single : A 81 ASN : amide:sc= -6.92! C(o=-6.9!,f=-14!) USER MOD Single : A 82 SER OG : rot 35:sc= -1.01! USER MOD Single : A 85 CYS SG : rot 159:sc= -2.53 USER MOD Single : A 87 GLN :FLIP amide:sc= -0.331 F(o=-3.4!,f=-0.33) USER MOD Single : A 90 MET CE :methyl -167:sc= -2.27! (180deg=-3.09!) USER MOD Single : A 91 THR OG1 : rot -148:sc= -1.62 USER MOD Single : A 105 GLN : amide:sc= -0.014 X(o=-0.014,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 11.230 -9.246 3.562 1.00 0.00 N ATOM 2 CA SER A 1 9.942 -9.728 2.992 1.00 0.00 C ATOM 3 C SER A 1 9.851 -9.299 1.527 1.00 0.00 C ATOM 4 O SER A 1 10.350 -8.259 1.141 1.00 0.00 O ATOM 5 CB SER A 1 8.778 -9.109 3.766 1.00 0.00 C ATOM 6 OG SER A 1 9.172 -7.832 4.248 1.00 0.00 O ATOM 0 H1 SER A 1 11.689 -10.019 4.085 1.00 0.00 H new ATOM 0 H2 SER A 1 11.854 -8.931 2.792 1.00 0.00 H new ATOM 0 H3 SER A 1 11.048 -8.451 4.208 1.00 0.00 H new ATOM 0 HA SER A 1 9.894 -10.814 3.066 1.00 0.00 H new ATOM 0 HB2 SER A 1 7.904 -9.015 3.121 1.00 0.00 H new ATOM 0 HB3 SER A 1 8.493 -9.754 4.597 1.00 0.00 H new ATOM 0 HG SER A 1 9.601 -7.328 3.526 1.00 0.00 H new ATOM 14 N LYS A 2 9.219 -10.087 0.704 1.00 0.00 N ATOM 15 CA LYS A 2 9.097 -9.721 -0.728 1.00 0.00 C ATOM 16 C LYS A 2 7.840 -8.878 -0.900 1.00 0.00 C ATOM 17 O LYS A 2 6.757 -9.294 -0.563 1.00 0.00 O ATOM 18 CB LYS A 2 8.970 -11.013 -1.553 1.00 0.00 C ATOM 19 CG LYS A 2 10.341 -11.427 -2.125 1.00 0.00 C ATOM 20 CD LYS A 2 10.630 -10.666 -3.440 1.00 0.00 C ATOM 21 CE LYS A 2 10.023 -11.417 -4.625 1.00 0.00 C ATOM 22 NZ LYS A 2 10.386 -10.712 -5.885 1.00 0.00 N ATOM 0 H LYS A 2 8.781 -10.971 0.965 1.00 0.00 H new ATOM 0 HA LYS A 2 9.969 -9.158 -1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.574 -11.813 -0.928 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.260 -10.863 -2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.124 -11.217 -1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.356 -12.501 -2.309 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.215 -9.660 -3.386 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.706 -10.560 -3.579 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.391 -12.443 -4.649 1.00 0.00 H new ATOM 0 HE3 LYS A 2 8.939 -11.469 -4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.976 -11.218 -6.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.015 -9.741 -5.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.421 -10.684 -5.981 1.00 0.00 H new ATOM 36 N VAL A 3 7.968 -7.694 -1.402 1.00 0.00 N ATOM 37 CA VAL A 3 6.781 -6.815 -1.590 1.00 0.00 C ATOM 38 C VAL A 3 6.667 -6.507 -3.073 1.00 0.00 C ATOM 39 O VAL A 3 7.589 -6.000 -3.667 1.00 0.00 O ATOM 40 CB VAL A 3 7.050 -5.528 -0.793 1.00 0.00 C ATOM 41 CG1 VAL A 3 6.450 -4.292 -1.476 1.00 0.00 C ATOM 42 CG2 VAL A 3 6.485 -5.675 0.602 1.00 0.00 C ATOM 0 H VAL A 3 8.855 -7.285 -1.697 1.00 0.00 H new ATOM 0 HA VAL A 3 5.856 -7.279 -1.248 1.00 0.00 H new ATOM 0 HB VAL A 3 8.129 -5.380 -0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.664 -3.406 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.888 -4.176 -2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.371 -4.415 -1.568 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.674 -4.764 1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.411 -5.849 0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.962 -6.519 1.101 1.00 0.00 H new ATOM 52 N VAL A 4 5.550 -6.801 -3.673 1.00 0.00 N ATOM 53 CA VAL A 4 5.376 -6.516 -5.130 1.00 0.00 C ATOM 54 C VAL A 4 4.365 -5.387 -5.314 1.00 0.00 C ATOM 55 O VAL A 4 3.284 -5.404 -4.786 1.00 0.00 O ATOM 56 CB VAL A 4 4.892 -7.780 -5.830 1.00 0.00 C ATOM 57 CG1 VAL A 4 4.482 -7.463 -7.269 1.00 0.00 C ATOM 58 CG2 VAL A 4 6.018 -8.817 -5.839 1.00 0.00 C ATOM 0 H VAL A 4 4.743 -7.229 -3.218 1.00 0.00 H new ATOM 0 HA VAL A 4 6.327 -6.207 -5.565 1.00 0.00 H new ATOM 0 HB VAL A 4 4.029 -8.175 -5.294 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.138 -8.374 -7.758 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.677 -6.728 -7.264 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.338 -7.061 -7.811 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.675 -9.723 -6.339 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.880 -8.414 -6.370 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.302 -9.054 -4.814 1.00 0.00 H new ATOM 68 N TYR A 5 4.730 -4.431 -6.106 1.00 0.00 N ATOM 69 CA TYR A 5 3.843 -3.283 -6.415 1.00 0.00 C ATOM 70 C TYR A 5 3.355 -3.433 -7.845 1.00 0.00 C ATOM 71 O TYR A 5 4.129 -3.378 -8.779 1.00 0.00 O ATOM 72 CB TYR A 5 4.631 -1.982 -6.289 1.00 0.00 C ATOM 73 CG TYR A 5 4.866 -1.649 -4.839 1.00 0.00 C ATOM 74 CD1 TYR A 5 3.848 -1.058 -4.079 1.00 0.00 C ATOM 75 CD2 TYR A 5 6.111 -1.910 -4.256 1.00 0.00 C ATOM 76 CE1 TYR A 5 4.078 -0.732 -2.733 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.337 -1.578 -2.914 1.00 0.00 C ATOM 78 CZ TYR A 5 5.325 -0.989 -2.159 1.00 0.00 C ATOM 79 OH TYR A 5 5.562 -0.653 -0.843 1.00 0.00 O ATOM 0 H TYR A 5 5.638 -4.395 -6.569 1.00 0.00 H new ATOM 0 HA TYR A 5 3.001 -3.261 -5.724 1.00 0.00 H new ATOM 0 HB2 TYR A 5 5.586 -2.076 -6.806 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.086 -1.171 -6.771 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.887 -0.853 -4.528 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.896 -2.367 -4.840 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.293 -0.284 -2.143 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.298 -1.779 -2.464 1.00 0.00 H new ATOM 0 HH TYR A 5 6.479 -0.901 -0.602 1.00 0.00 H new ATOM 89 N VAL A 6 2.078 -3.587 -8.041 1.00 0.00 N ATOM 90 CA VAL A 6 1.544 -3.701 -9.430 1.00 0.00 C ATOM 91 C VAL A 6 1.003 -2.326 -9.804 1.00 0.00 C ATOM 92 O VAL A 6 0.051 -1.842 -9.229 1.00 0.00 O ATOM 93 CB VAL A 6 0.441 -4.758 -9.474 1.00 0.00 C ATOM 94 CG1 VAL A 6 -0.256 -4.722 -10.834 1.00 0.00 C ATOM 95 CG2 VAL A 6 1.057 -6.139 -9.248 1.00 0.00 C ATOM 0 H VAL A 6 1.378 -3.639 -7.301 1.00 0.00 H new ATOM 0 HA VAL A 6 2.316 -4.009 -10.135 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.291 -4.552 -8.693 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.041 -5.477 -10.860 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.695 -3.737 -10.992 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.470 -4.926 -11.621 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.274 -6.896 -9.279 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.789 -6.343 -10.029 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.548 -6.164 -8.275 1.00 0.00 H new ATOM 105 N SER A 7 1.646 -1.677 -10.717 1.00 0.00 N ATOM 106 CA SER A 7 1.226 -0.309 -11.103 1.00 0.00 C ATOM 107 C SER A 7 -0.014 -0.345 -11.978 1.00 0.00 C ATOM 108 O SER A 7 -0.552 -1.388 -12.299 1.00 0.00 O ATOM 109 CB SER A 7 2.361 0.377 -11.863 1.00 0.00 C ATOM 110 OG SER A 7 2.378 -0.093 -13.201 1.00 0.00 O ATOM 0 H SER A 7 2.456 -2.037 -11.221 1.00 0.00 H new ATOM 0 HA SER A 7 0.993 0.247 -10.195 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.224 1.458 -11.847 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.316 0.169 -11.380 1.00 0.00 H new ATOM 0 HG SER A 7 2.137 -1.043 -13.217 1.00 0.00 H new ATOM 116 N HIS A 8 -0.449 0.807 -12.384 1.00 0.00 N ATOM 117 CA HIS A 8 -1.641 0.899 -13.264 1.00 0.00 C ATOM 118 C HIS A 8 -1.193 0.517 -14.675 1.00 0.00 C ATOM 119 O HIS A 8 -1.863 -0.211 -15.378 1.00 0.00 O ATOM 120 CB HIS A 8 -2.232 2.341 -13.232 1.00 0.00 C ATOM 121 CG HIS A 8 -1.390 3.242 -12.360 1.00 0.00 C ATOM 122 ND1 HIS A 8 -0.926 2.849 -11.112 1.00 0.00 N ATOM 123 CD2 HIS A 8 -0.931 4.524 -12.544 1.00 0.00 C ATOM 124 CE1 HIS A 8 -0.222 3.875 -10.594 1.00 0.00 C ATOM 125 NE2 HIS A 8 -0.195 4.917 -11.425 1.00 0.00 N ATOM 0 H HIS A 8 -0.025 1.702 -12.141 1.00 0.00 H new ATOM 0 HA HIS A 8 -2.428 0.226 -12.924 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -2.277 2.744 -14.244 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -3.254 2.313 -12.855 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.111 5.132 -13.418 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.260 3.855 -9.627 1.00 0.00 H new ATOM 0 HE2 HIS A 8 0.267 5.814 -11.275 1.00 0.00 H new ATOM 134 N ASP A 9 -0.059 1.011 -15.086 1.00 0.00 N ATOM 135 CA ASP A 9 0.448 0.693 -16.445 1.00 0.00 C ATOM 136 C ASP A 9 0.751 -0.810 -16.566 1.00 0.00 C ATOM 137 O ASP A 9 1.025 -1.305 -17.643 1.00 0.00 O ATOM 138 CB ASP A 9 1.726 1.505 -16.715 1.00 0.00 C ATOM 139 CG ASP A 9 2.517 1.650 -15.410 1.00 0.00 C ATOM 140 OD1 ASP A 9 1.974 2.204 -14.472 1.00 0.00 O ATOM 141 OD2 ASP A 9 3.653 1.205 -15.380 1.00 0.00 O ATOM 0 H ASP A 9 0.540 1.625 -14.534 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.314 0.954 -17.179 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.335 1.007 -17.470 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.470 2.488 -17.110 1.00 0.00 H new ATOM 146 N GLY A 10 0.698 -1.546 -15.483 1.00 0.00 N ATOM 147 CA GLY A 10 0.974 -3.020 -15.549 1.00 0.00 C ATOM 148 C GLY A 10 2.422 -3.322 -15.135 1.00 0.00 C ATOM 149 O GLY A 10 2.792 -4.465 -14.945 1.00 0.00 O ATOM 0 H GLY A 10 0.475 -1.191 -14.553 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.285 -3.553 -14.894 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.797 -3.383 -16.561 1.00 0.00 H new ATOM 153 N THR A 11 3.249 -2.319 -15.001 1.00 0.00 N ATOM 154 CA THR A 11 4.665 -2.579 -14.623 1.00 0.00 C ATOM 155 C THR A 11 4.734 -3.006 -13.159 1.00 0.00 C ATOM 156 O THR A 11 4.158 -2.391 -12.288 1.00 0.00 O ATOM 157 CB THR A 11 5.532 -1.329 -14.881 1.00 0.00 C ATOM 158 OG1 THR A 11 6.816 -1.742 -15.332 1.00 0.00 O ATOM 159 CG2 THR A 11 5.696 -0.466 -13.622 1.00 0.00 C ATOM 0 H THR A 11 3.006 -1.338 -15.136 1.00 0.00 H new ATOM 0 HA THR A 11 5.059 -3.387 -15.239 1.00 0.00 H new ATOM 0 HB THR A 11 5.028 -0.724 -15.635 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.373 -0.953 -15.500 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.314 0.402 -13.854 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.716 -0.133 -13.279 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.174 -1.053 -12.838 1.00 0.00 H new ATOM 167 N ARG A 12 5.440 -4.065 -12.903 1.00 0.00 N ATOM 168 CA ARG A 12 5.574 -4.576 -11.502 1.00 0.00 C ATOM 169 C ARG A 12 6.906 -4.120 -10.899 1.00 0.00 C ATOM 170 O ARG A 12 7.955 -4.288 -11.488 1.00 0.00 O ATOM 171 CB ARG A 12 5.519 -6.112 -11.503 1.00 0.00 C ATOM 172 CG ARG A 12 4.270 -6.594 -12.276 1.00 0.00 C ATOM 173 CD ARG A 12 3.807 -7.996 -11.800 1.00 0.00 C ATOM 174 NE ARG A 12 3.812 -8.953 -12.956 1.00 0.00 N ATOM 175 CZ ARG A 12 4.681 -9.946 -13.013 1.00 0.00 C ATOM 176 NH1 ARG A 12 5.653 -10.050 -12.142 1.00 0.00 N ATOM 177 NH2 ARG A 12 4.581 -10.831 -13.976 1.00 0.00 N ATOM 0 H ARG A 12 5.938 -4.610 -13.607 1.00 0.00 H new ATOM 0 HA ARG A 12 4.754 -4.179 -10.904 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.421 -6.516 -11.963 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.489 -6.484 -10.479 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.460 -5.878 -12.141 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.492 -6.627 -13.343 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.467 -8.359 -11.013 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.806 -7.933 -11.373 1.00 0.00 H new ATOM 0 HE ARG A 12 3.134 -8.835 -13.709 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.750 -9.356 -11.401 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.313 -10.825 -12.205 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.838 -10.748 -14.670 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.246 -11.602 -14.031 1.00 0.00 H new ATOM 191 N ARG A 13 6.867 -3.566 -9.711 1.00 0.00 N ATOM 192 CA ARG A 13 8.111 -3.116 -9.019 1.00 0.00 C ATOM 193 C ARG A 13 8.169 -3.880 -7.700 1.00 0.00 C ATOM 194 O ARG A 13 7.283 -3.761 -6.875 1.00 0.00 O ATOM 195 CB ARG A 13 8.021 -1.604 -8.729 1.00 0.00 C ATOM 196 CG ARG A 13 9.421 -0.919 -8.748 1.00 0.00 C ATOM 197 CD ARG A 13 9.567 -0.022 -9.991 1.00 0.00 C ATOM 198 NE ARG A 13 8.884 1.286 -9.714 1.00 0.00 N ATOM 199 CZ ARG A 13 7.968 1.773 -10.525 1.00 0.00 C ATOM 200 NH1 ARG A 13 7.766 1.243 -11.706 1.00 0.00 N ATOM 201 NH2 ARG A 13 7.284 2.830 -10.166 1.00 0.00 N ATOM 0 H ARG A 13 6.008 -3.405 -9.184 1.00 0.00 H new ATOM 0 HA ARG A 13 8.995 -3.301 -9.629 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.376 -1.131 -9.470 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.555 -1.449 -7.756 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.553 -0.323 -7.845 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.203 -1.678 -8.746 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.620 0.141 -10.220 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.123 -0.505 -10.862 1.00 0.00 H new ATOM 0 HE ARG A 13 9.136 1.811 -8.876 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.322 0.443 -12.008 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.053 1.631 -12.324 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.462 3.271 -9.263 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.573 3.213 -10.789 1.00 0.00 H new ATOM 215 N GLU A 14 9.175 -4.677 -7.498 1.00 0.00 N ATOM 216 CA GLU A 14 9.276 -5.477 -6.244 1.00 0.00 C ATOM 217 C GLU A 14 10.419 -4.956 -5.353 1.00 0.00 C ATOM 218 O GLU A 14 11.532 -4.775 -5.809 1.00 0.00 O ATOM 219 CB GLU A 14 9.550 -6.943 -6.607 1.00 0.00 C ATOM 220 CG GLU A 14 8.750 -7.327 -7.858 1.00 0.00 C ATOM 221 CD GLU A 14 9.493 -6.852 -9.110 1.00 0.00 C ATOM 222 OE1 GLU A 14 10.587 -7.338 -9.341 1.00 0.00 O ATOM 223 OE2 GLU A 14 8.955 -6.011 -9.809 1.00 0.00 O ATOM 0 H GLU A 14 9.943 -4.812 -8.155 1.00 0.00 H new ATOM 0 HA GLU A 14 8.338 -5.389 -5.695 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.615 -7.090 -6.786 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.274 -7.591 -5.775 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.609 -8.407 -7.894 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.758 -6.878 -7.819 1.00 0.00 H new ATOM 230 N LEU A 15 10.160 -4.741 -4.083 1.00 0.00 N ATOM 231 CA LEU A 15 11.239 -4.265 -3.147 1.00 0.00 C ATOM 232 C LEU A 15 11.304 -5.182 -1.933 1.00 0.00 C ATOM 233 O LEU A 15 10.459 -6.027 -1.715 1.00 0.00 O ATOM 234 CB LEU A 15 10.946 -2.844 -2.584 1.00 0.00 C ATOM 235 CG LEU A 15 9.954 -2.092 -3.435 1.00 0.00 C ATOM 236 CD1 LEU A 15 9.622 -0.773 -2.710 1.00 0.00 C ATOM 237 CD2 LEU A 15 10.555 -1.788 -4.827 1.00 0.00 C ATOM 0 H LEU A 15 9.246 -4.874 -3.651 1.00 0.00 H new ATOM 0 HA LEU A 15 12.164 -4.259 -3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.561 -2.929 -1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.876 -2.278 -2.526 1.00 0.00 H new ATOM 0 HG LEU A 15 9.055 -2.691 -3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.905 -0.204 -3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.193 -0.993 -1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.533 -0.188 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.825 -1.245 -5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.453 -1.181 -4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.811 -2.723 -5.325 1.00 0.00 H new ATOM 249 N ASP A 16 12.272 -4.932 -1.115 1.00 0.00 N ATOM 250 CA ASP A 16 12.405 -5.669 0.154 1.00 0.00 C ATOM 251 C ASP A 16 12.012 -4.661 1.240 1.00 0.00 C ATOM 252 O ASP A 16 12.696 -3.678 1.446 1.00 0.00 O ATOM 253 CB ASP A 16 13.856 -6.120 0.350 1.00 0.00 C ATOM 254 CG ASP A 16 13.949 -7.026 1.577 1.00 0.00 C ATOM 255 OD1 ASP A 16 13.064 -7.848 1.755 1.00 0.00 O ATOM 256 OD2 ASP A 16 14.902 -6.881 2.326 1.00 0.00 O ATOM 0 H ASP A 16 12.994 -4.230 -1.278 1.00 0.00 H new ATOM 0 HA ASP A 16 11.783 -6.564 0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 16 14.205 -6.652 -0.535 1.00 0.00 H new ATOM 0 HB3 ASP A 16 14.503 -5.252 0.476 1.00 0.00 H new ATOM 261 N VAL A 17 10.934 -4.895 1.934 1.00 0.00 N ATOM 262 CA VAL A 17 10.494 -3.955 3.028 1.00 0.00 C ATOM 263 C VAL A 17 10.721 -4.660 4.368 1.00 0.00 C ATOM 264 O VAL A 17 10.248 -5.757 4.592 1.00 0.00 O ATOM 265 CB VAL A 17 9.008 -3.617 2.785 1.00 0.00 C ATOM 266 CG1 VAL A 17 8.532 -2.477 3.705 1.00 0.00 C ATOM 267 CG2 VAL A 17 8.875 -3.183 1.327 1.00 0.00 C ATOM 0 H VAL A 17 10.326 -5.703 1.796 1.00 0.00 H new ATOM 0 HA VAL A 17 11.058 -3.022 3.036 1.00 0.00 H new ATOM 0 HB VAL A 17 8.393 -4.491 3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.481 -2.265 3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.652 -2.776 4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.125 -1.583 3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.835 -2.935 1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.501 -2.308 1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.194 -3.996 0.675 1.00 0.00 H new ATOM 277 N ALA A 18 11.493 -4.062 5.234 1.00 0.00 N ATOM 278 CA ALA A 18 11.810 -4.718 6.533 1.00 0.00 C ATOM 279 C ALA A 18 10.565 -4.840 7.417 1.00 0.00 C ATOM 280 O ALA A 18 9.607 -4.106 7.292 1.00 0.00 O ATOM 281 CB ALA A 18 12.896 -3.902 7.267 1.00 0.00 C ATOM 0 H ALA A 18 11.919 -3.145 5.097 1.00 0.00 H new ATOM 0 HA ALA A 18 12.175 -5.725 6.329 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.130 -4.380 8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.795 -3.858 6.653 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.531 -2.891 7.449 1.00 0.00 H new ATOM 287 N ASP A 19 10.602 -5.776 8.326 1.00 0.00 N ATOM 288 CA ASP A 19 9.466 -5.989 9.246 1.00 0.00 C ATOM 289 C ASP A 19 9.154 -4.689 9.982 1.00 0.00 C ATOM 290 O ASP A 19 10.031 -3.970 10.414 1.00 0.00 O ATOM 291 CB ASP A 19 9.843 -7.069 10.258 1.00 0.00 C ATOM 292 CG ASP A 19 11.229 -6.774 10.830 1.00 0.00 C ATOM 293 OD1 ASP A 19 12.179 -6.795 10.065 1.00 0.00 O ATOM 294 OD2 ASP A 19 11.315 -6.533 12.022 1.00 0.00 O ATOM 0 H ASP A 19 11.389 -6.410 8.466 1.00 0.00 H new ATOM 0 HA ASP A 19 8.588 -6.302 8.681 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.107 -7.102 11.061 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.837 -8.048 9.779 1.00 0.00 H new ATOM 299 N GLY A 20 7.899 -4.411 10.148 1.00 0.00 N ATOM 300 CA GLY A 20 7.489 -3.181 10.873 1.00 0.00 C ATOM 301 C GLY A 20 7.612 -1.941 9.989 1.00 0.00 C ATOM 302 O GLY A 20 7.344 -0.845 10.442 1.00 0.00 O ATOM 0 H GLY A 20 7.129 -4.988 9.810 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.459 -3.285 11.214 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.108 -3.058 11.762 1.00 0.00 H new ATOM 306 N VAL A 21 8.009 -2.065 8.751 1.00 0.00 N ATOM 307 CA VAL A 21 8.128 -0.844 7.894 1.00 0.00 C ATOM 308 C VAL A 21 6.816 -0.636 7.152 1.00 0.00 C ATOM 309 O VAL A 21 6.110 -1.577 6.846 1.00 0.00 O ATOM 310 CB VAL A 21 9.227 -1.042 6.846 1.00 0.00 C ATOM 311 CG1 VAL A 21 9.276 0.166 5.920 1.00 0.00 C ATOM 312 CG2 VAL A 21 10.590 -1.236 7.507 1.00 0.00 C ATOM 0 H VAL A 21 8.254 -2.946 8.298 1.00 0.00 H new ATOM 0 HA VAL A 21 8.365 0.011 8.528 1.00 0.00 H new ATOM 0 HB VAL A 21 8.994 -1.939 6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.059 0.022 5.175 1.00 0.00 H new ATOM 0 HG12 VAL A 21 8.315 0.279 5.419 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.489 1.062 6.502 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.351 -1.374 6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.833 -0.357 8.104 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.560 -2.115 8.151 1.00 0.00 H new ATOM 322 N SER A 22 6.488 0.583 6.827 1.00 0.00 N ATOM 323 CA SER A 22 5.229 0.837 6.074 1.00 0.00 C ATOM 324 C SER A 22 5.544 0.752 4.580 1.00 0.00 C ATOM 325 O SER A 22 6.540 1.271 4.118 1.00 0.00 O ATOM 326 CB SER A 22 4.697 2.239 6.436 1.00 0.00 C ATOM 327 OG SER A 22 4.670 3.062 5.269 1.00 0.00 O ATOM 0 H SER A 22 7.037 1.413 7.050 1.00 0.00 H new ATOM 0 HA SER A 22 4.467 0.101 6.329 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.696 2.160 6.860 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.331 2.693 7.198 1.00 0.00 H new ATOM 0 HG SER A 22 4.330 3.951 5.503 1.00 0.00 H new ATOM 333 N LEU A 23 4.705 0.115 3.812 1.00 0.00 N ATOM 334 CA LEU A 23 4.970 0.020 2.343 1.00 0.00 C ATOM 335 C LEU A 23 5.285 1.415 1.808 1.00 0.00 C ATOM 336 O LEU A 23 6.332 1.656 1.238 1.00 0.00 O ATOM 337 CB LEU A 23 3.725 -0.511 1.626 1.00 0.00 C ATOM 338 CG LEU A 23 3.554 -2.023 1.866 1.00 0.00 C ATOM 339 CD1 LEU A 23 2.135 -2.436 1.474 1.00 0.00 C ATOM 340 CD2 LEU A 23 4.528 -2.828 0.993 1.00 0.00 C ATOM 0 H LEU A 23 3.851 -0.342 4.132 1.00 0.00 H new ATOM 0 HA LEU A 23 5.808 -0.654 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.842 0.020 1.982 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.805 -0.315 0.557 1.00 0.00 H new ATOM 0 HG LEU A 23 3.750 -2.224 2.919 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.008 -3.505 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.415 -1.886 2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.969 -2.212 0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.389 -3.893 1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.335 -2.616 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.553 -2.548 1.237 1.00 0.00 H new ATOM 352 N MET A 24 4.378 2.331 1.984 1.00 0.00 N ATOM 353 CA MET A 24 4.596 3.718 1.490 1.00 0.00 C ATOM 354 C MET A 24 5.979 4.202 1.943 1.00 0.00 C ATOM 355 O MET A 24 6.541 5.123 1.388 1.00 0.00 O ATOM 356 CB MET A 24 3.498 4.609 2.092 1.00 0.00 C ATOM 357 CG MET A 24 3.297 5.877 1.252 1.00 0.00 C ATOM 358 SD MET A 24 4.659 7.032 1.537 1.00 0.00 S ATOM 359 CE MET A 24 4.039 8.377 0.498 1.00 0.00 C ATOM 0 H MET A 24 3.486 2.178 2.454 1.00 0.00 H new ATOM 0 HA MET A 24 4.552 3.757 0.402 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.562 4.053 2.147 1.00 0.00 H new ATOM 0 HB3 MET A 24 3.766 4.883 3.112 1.00 0.00 H new ATOM 0 HG2 MET A 24 3.245 5.618 0.195 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.349 6.349 1.512 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.478 9.320 0.824 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.311 8.190 -0.541 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.954 8.433 0.584 1.00 0.00 H new ATOM 369 N GLN A 25 6.529 3.582 2.945 1.00 0.00 N ATOM 370 CA GLN A 25 7.871 3.999 3.443 1.00 0.00 C ATOM 371 C GLN A 25 8.951 3.496 2.476 1.00 0.00 C ATOM 372 O GLN A 25 9.652 4.273 1.853 1.00 0.00 O ATOM 373 CB GLN A 25 8.096 3.398 4.837 1.00 0.00 C ATOM 374 CG GLN A 25 9.073 4.262 5.648 1.00 0.00 C ATOM 375 CD GLN A 25 9.171 3.712 7.071 1.00 0.00 C ATOM 376 OE1 GLN A 25 10.253 3.478 7.570 1.00 0.00 O ATOM 377 NE2 GLN A 25 8.078 3.489 7.747 1.00 0.00 N ATOM 0 H GLN A 25 6.107 2.800 3.445 1.00 0.00 H new ATOM 0 HA GLN A 25 7.925 5.086 3.504 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.145 3.323 5.364 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.489 2.386 4.743 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.056 4.260 5.177 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.731 5.297 5.668 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.170 3.686 7.327 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.132 3.118 8.696 1.00 0.00 H new ATOM 386 N ALA A 26 9.089 2.203 2.335 1.00 0.00 N ATOM 387 CA ALA A 26 10.128 1.663 1.400 1.00 0.00 C ATOM 388 C ALA A 26 9.850 2.110 -0.044 1.00 0.00 C ATOM 389 O ALA A 26 10.745 2.158 -0.863 1.00 0.00 O ATOM 390 CB ALA A 26 10.116 0.134 1.476 1.00 0.00 C ATOM 0 H ALA A 26 8.533 1.500 2.822 1.00 0.00 H new ATOM 0 HA ALA A 26 11.104 2.048 1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.869 -0.270 0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.338 -0.181 2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.132 -0.237 1.188 1.00 0.00 H new ATOM 396 N ALA A 27 8.632 2.432 -0.361 1.00 0.00 N ATOM 397 CA ALA A 27 8.320 2.866 -1.755 1.00 0.00 C ATOM 398 C ALA A 27 8.991 4.222 -2.039 1.00 0.00 C ATOM 399 O ALA A 27 9.719 4.378 -2.998 1.00 0.00 O ATOM 400 CB ALA A 27 6.788 2.981 -1.889 1.00 0.00 C ATOM 0 H ALA A 27 7.838 2.415 0.279 1.00 0.00 H new ATOM 0 HA ALA A 27 8.700 2.142 -2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.534 3.297 -2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.331 2.012 -1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.414 3.715 -1.175 1.00 0.00 H new ATOM 406 N VAL A 28 8.745 5.200 -1.210 1.00 0.00 N ATOM 407 CA VAL A 28 9.356 6.545 -1.430 1.00 0.00 C ATOM 408 C VAL A 28 10.871 6.402 -1.579 1.00 0.00 C ATOM 409 O VAL A 28 11.539 7.268 -2.107 1.00 0.00 O ATOM 410 CB VAL A 28 9.033 7.445 -0.229 1.00 0.00 C ATOM 411 CG1 VAL A 28 9.835 8.748 -0.323 1.00 0.00 C ATOM 412 CG2 VAL A 28 7.538 7.772 -0.238 1.00 0.00 C ATOM 0 H VAL A 28 8.146 5.127 -0.388 1.00 0.00 H new ATOM 0 HA VAL A 28 8.951 6.990 -2.339 1.00 0.00 H new ATOM 0 HB VAL A 28 9.297 6.927 0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.601 9.382 0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.901 8.520 -0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.574 9.270 -1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.300 8.411 0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.284 8.290 -1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.963 6.848 -0.170 1.00 0.00 H new ATOM 422 N SER A 29 11.416 5.320 -1.102 1.00 0.00 N ATOM 423 CA SER A 29 12.890 5.103 -1.191 1.00 0.00 C ATOM 424 C SER A 29 13.217 4.411 -2.512 1.00 0.00 C ATOM 425 O SER A 29 14.334 4.454 -2.986 1.00 0.00 O ATOM 426 CB SER A 29 13.301 4.205 -0.023 1.00 0.00 C ATOM 427 OG SER A 29 13.937 3.023 -0.504 1.00 0.00 O ATOM 0 H SER A 29 10.899 4.567 -0.649 1.00 0.00 H new ATOM 0 HA SER A 29 13.425 6.052 -1.146 1.00 0.00 H new ATOM 0 HB2 SER A 29 13.977 4.746 0.639 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.423 3.939 0.566 1.00 0.00 H new ATOM 0 HG SER A 29 14.196 2.459 0.254 1.00 0.00 H new ATOM 433 N ASN A 30 12.234 3.800 -3.111 1.00 0.00 N ATOM 434 CA ASN A 30 12.445 3.126 -4.414 1.00 0.00 C ATOM 435 C ASN A 30 11.778 3.965 -5.504 1.00 0.00 C ATOM 436 O ASN A 30 11.672 3.549 -6.639 1.00 0.00 O ATOM 437 CB ASN A 30 11.805 1.742 -4.366 1.00 0.00 C ATOM 438 CG ASN A 30 12.718 0.789 -3.594 1.00 0.00 C ATOM 439 OD1 ASN A 30 13.332 -0.085 -4.175 1.00 0.00 O ATOM 440 ND2 ASN A 30 12.832 0.923 -2.301 1.00 0.00 N ATOM 0 H ASN A 30 11.283 3.740 -2.746 1.00 0.00 H new ATOM 0 HA ASN A 30 13.509 3.023 -4.625 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.828 1.797 -3.886 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.642 1.369 -5.377 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.438 0.293 -1.774 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.315 1.657 -1.817 1.00 0.00 H new ATOM 447 N GLY A 31 11.390 5.177 -5.187 1.00 0.00 N ATOM 448 CA GLY A 31 10.807 6.060 -6.245 1.00 0.00 C ATOM 449 C GLY A 31 9.445 5.533 -6.698 1.00 0.00 C ATOM 450 O GLY A 31 9.190 5.438 -7.882 1.00 0.00 O ATOM 0 H GLY A 31 11.450 5.588 -4.256 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.701 7.075 -5.861 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.485 6.111 -7.097 1.00 0.00 H new ATOM 454 N ILE A 32 8.590 5.141 -5.790 1.00 0.00 N ATOM 455 CA ILE A 32 7.269 4.559 -6.202 1.00 0.00 C ATOM 456 C ILE A 32 6.080 5.429 -5.798 1.00 0.00 C ATOM 457 O ILE A 32 5.367 5.937 -6.644 1.00 0.00 O ATOM 458 CB ILE A 32 7.148 3.183 -5.546 1.00 0.00 C ATOM 459 CG1 ILE A 32 8.403 2.367 -5.898 1.00 0.00 C ATOM 460 CG2 ILE A 32 5.892 2.443 -6.043 1.00 0.00 C ATOM 461 CD1 ILE A 32 8.158 0.880 -5.642 1.00 0.00 C ATOM 0 H ILE A 32 8.744 5.197 -4.783 1.00 0.00 H new ATOM 0 HA ILE A 32 7.244 4.495 -7.290 1.00 0.00 H new ATOM 0 HB ILE A 32 7.060 3.305 -4.466 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.666 2.524 -6.944 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.248 2.711 -5.302 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.830 1.467 -5.561 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.005 3.026 -5.797 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.951 2.311 -7.123 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.055 0.315 -5.896 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.918 0.727 -4.590 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.327 0.537 -6.258 1.00 0.00 H new ATOM 473 N TYR A 33 5.860 5.632 -4.529 1.00 0.00 N ATOM 474 CA TYR A 33 4.720 6.497 -4.094 1.00 0.00 C ATOM 475 C TYR A 33 5.128 7.965 -3.982 1.00 0.00 C ATOM 476 O TYR A 33 4.375 8.769 -3.465 1.00 0.00 O ATOM 477 CB TYR A 33 4.167 5.986 -2.760 1.00 0.00 C ATOM 478 CG TYR A 33 3.260 4.805 -3.034 1.00 0.00 C ATOM 479 CD1 TYR A 33 3.793 3.641 -3.598 1.00 0.00 C ATOM 480 CD2 TYR A 33 1.891 4.889 -2.761 1.00 0.00 C ATOM 481 CE1 TYR A 33 2.960 2.560 -3.889 1.00 0.00 C ATOM 482 CE2 TYR A 33 1.058 3.805 -3.049 1.00 0.00 C ATOM 483 CZ TYR A 33 1.594 2.639 -3.618 1.00 0.00 C ATOM 484 OH TYR A 33 0.778 1.570 -3.920 1.00 0.00 O ATOM 0 H TYR A 33 6.418 5.238 -3.772 1.00 0.00 H new ATOM 0 HA TYR A 33 3.942 6.440 -4.855 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.983 5.691 -2.100 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.615 6.777 -2.251 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.850 3.579 -3.808 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.479 5.789 -2.329 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.373 1.662 -4.324 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.001 3.864 -2.834 1.00 0.00 H new ATOM 0 HH TYR A 33 0.856 0.890 -3.218 1.00 0.00 H new ATOM 494 N ASP A 34 6.293 8.349 -4.417 1.00 0.00 N ATOM 495 CA ASP A 34 6.674 9.775 -4.276 1.00 0.00 C ATOM 496 C ASP A 34 5.643 10.651 -4.974 1.00 0.00 C ATOM 497 O ASP A 34 4.588 10.929 -4.438 1.00 0.00 O ATOM 498 CB ASP A 34 8.055 9.997 -4.897 1.00 0.00 C ATOM 499 CG ASP A 34 8.142 9.234 -6.227 1.00 0.00 C ATOM 500 OD1 ASP A 34 8.031 8.019 -6.193 1.00 0.00 O ATOM 501 OD2 ASP A 34 8.318 9.879 -7.247 1.00 0.00 O ATOM 0 H ASP A 34 6.988 7.746 -4.858 1.00 0.00 H new ATOM 0 HA ASP A 34 6.709 10.041 -3.219 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.225 11.061 -5.063 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.833 9.652 -4.215 1.00 0.00 H new ATOM 506 N ILE A 35 5.968 11.084 -6.167 1.00 0.00 N ATOM 507 CA ILE A 35 5.057 11.970 -6.969 1.00 0.00 C ATOM 508 C ILE A 35 4.181 12.822 -6.035 1.00 0.00 C ATOM 509 O ILE A 35 4.560 13.902 -5.626 1.00 0.00 O ATOM 510 CB ILE A 35 4.174 11.104 -7.893 1.00 0.00 C ATOM 511 CG1 ILE A 35 3.881 9.752 -7.229 1.00 0.00 C ATOM 512 CG2 ILE A 35 4.903 10.854 -9.223 1.00 0.00 C ATOM 513 CD1 ILE A 35 2.838 9.000 -8.064 1.00 0.00 C ATOM 0 H ILE A 35 6.847 10.857 -6.632 1.00 0.00 H new ATOM 0 HA ILE A 35 5.660 12.642 -7.580 1.00 0.00 H new ATOM 0 HB ILE A 35 3.238 11.632 -8.075 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.796 9.165 -7.152 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.513 9.903 -6.214 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.276 10.242 -9.872 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.108 11.807 -9.710 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.842 10.335 -9.031 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.624 8.038 -7.599 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.922 9.588 -8.118 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.225 8.838 -9.070 1.00 0.00 H new ATOM 525 N VAL A 36 3.023 12.327 -5.679 1.00 0.00 N ATOM 526 CA VAL A 36 2.124 13.080 -4.755 1.00 0.00 C ATOM 527 C VAL A 36 2.363 12.592 -3.318 1.00 0.00 C ATOM 528 O VAL A 36 2.689 11.442 -3.095 1.00 0.00 O ATOM 529 CB VAL A 36 0.670 12.813 -5.145 1.00 0.00 C ATOM 530 CG1 VAL A 36 -0.262 13.733 -4.360 1.00 0.00 C ATOM 531 CG2 VAL A 36 0.491 13.077 -6.647 1.00 0.00 C ATOM 0 H VAL A 36 2.660 11.427 -5.992 1.00 0.00 H new ATOM 0 HA VAL A 36 2.331 14.148 -4.821 1.00 0.00 H new ATOM 0 HB VAL A 36 0.425 11.776 -4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.295 13.534 -4.646 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.139 13.550 -3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.018 14.772 -4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.545 12.888 -6.929 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.743 14.115 -6.867 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.148 12.417 -7.213 1.00 0.00 H new ATOM 541 N GLY A 37 2.201 13.451 -2.347 1.00 0.00 N ATOM 542 CA GLY A 37 2.417 13.028 -0.931 1.00 0.00 C ATOM 543 C GLY A 37 1.738 14.026 0.006 1.00 0.00 C ATOM 544 O GLY A 37 2.339 14.988 0.441 1.00 0.00 O ATOM 0 H GLY A 37 1.929 14.426 -2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.011 12.029 -0.772 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.484 12.976 -0.714 1.00 0.00 H new ATOM 548 N ASP A 38 0.487 13.810 0.321 1.00 0.00 N ATOM 549 CA ASP A 38 -0.229 14.753 1.235 1.00 0.00 C ATOM 550 C ASP A 38 0.346 14.659 2.660 1.00 0.00 C ATOM 551 O ASP A 38 1.014 15.564 3.118 1.00 0.00 O ATOM 552 CB ASP A 38 -1.727 14.407 1.256 1.00 0.00 C ATOM 553 CG ASP A 38 -2.431 15.072 0.068 1.00 0.00 C ATOM 554 OD1 ASP A 38 -1.861 15.069 -1.006 1.00 0.00 O ATOM 555 OD2 ASP A 38 -3.526 15.574 0.260 1.00 0.00 O ATOM 0 H ASP A 38 -0.070 13.024 -0.014 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.093 15.771 0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.860 13.326 1.211 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.174 14.745 2.191 1.00 0.00 H new ATOM 560 N CYS A 39 0.084 13.586 3.366 1.00 0.00 N ATOM 561 CA CYS A 39 0.613 13.473 4.762 1.00 0.00 C ATOM 562 C CYS A 39 2.031 12.890 4.746 1.00 0.00 C ATOM 563 O CYS A 39 2.691 12.819 5.761 1.00 0.00 O ATOM 564 CB CYS A 39 -0.317 12.592 5.615 1.00 0.00 C ATOM 565 SG CYS A 39 0.021 10.832 5.338 1.00 0.00 S ATOM 0 H CYS A 39 -0.467 12.791 3.041 1.00 0.00 H new ATOM 0 HA CYS A 39 0.650 14.469 5.203 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.183 12.830 6.670 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.356 12.810 5.369 1.00 0.00 H new ATOM 570 N GLY A 40 2.510 12.491 3.603 1.00 0.00 N ATOM 571 CA GLY A 40 3.892 11.934 3.528 1.00 0.00 C ATOM 572 C GLY A 40 3.949 10.544 4.163 1.00 0.00 C ATOM 573 O GLY A 40 5.008 9.962 4.293 1.00 0.00 O ATOM 0 H GLY A 40 2.007 12.525 2.717 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.211 11.877 2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.587 12.601 4.038 1.00 0.00 H new ATOM 577 N GLY A 41 2.821 9.998 4.551 1.00 0.00 N ATOM 578 CA GLY A 41 2.809 8.633 5.175 1.00 0.00 C ATOM 579 C GLY A 41 2.564 8.746 6.683 1.00 0.00 C ATOM 580 O GLY A 41 2.893 7.856 7.444 1.00 0.00 O ATOM 0 H GLY A 41 1.905 10.439 4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.031 8.022 4.717 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.759 8.131 4.990 1.00 0.00 H new ATOM 584 N SER A 42 1.984 9.830 7.123 1.00 0.00 N ATOM 585 CA SER A 42 1.709 10.006 8.584 1.00 0.00 C ATOM 586 C SER A 42 0.255 9.623 8.870 1.00 0.00 C ATOM 587 O SER A 42 -0.302 9.983 9.892 1.00 0.00 O ATOM 588 CB SER A 42 1.931 11.470 8.957 1.00 0.00 C ATOM 589 OG SER A 42 1.929 11.593 10.373 1.00 0.00 O ATOM 0 H SER A 42 1.686 10.607 6.533 1.00 0.00 H new ATOM 0 HA SER A 42 2.375 9.372 9.169 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.879 11.822 8.550 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.147 12.092 8.524 1.00 0.00 H new ATOM 0 HG SER A 42 1.162 11.108 10.742 1.00 0.00 H new ATOM 595 N ALA A 43 -0.361 8.889 7.983 1.00 0.00 N ATOM 596 CA ALA A 43 -1.776 8.469 8.199 1.00 0.00 C ATOM 597 C ALA A 43 -2.673 9.699 8.364 1.00 0.00 C ATOM 598 O ALA A 43 -3.351 9.854 9.359 1.00 0.00 O ATOM 599 CB ALA A 43 -1.866 7.604 9.459 1.00 0.00 C ATOM 0 H ALA A 43 0.058 8.560 7.113 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.111 7.897 7.334 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.900 7.297 9.617 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.240 6.720 9.339 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.523 8.178 10.320 1.00 0.00 H new ATOM 605 N SER A 44 -2.692 10.576 7.392 1.00 0.00 N ATOM 606 CA SER A 44 -3.555 11.794 7.491 1.00 0.00 C ATOM 607 C SER A 44 -4.055 12.185 6.089 1.00 0.00 C ATOM 608 O SER A 44 -4.397 13.324 5.841 1.00 0.00 O ATOM 609 CB SER A 44 -2.738 12.946 8.101 1.00 0.00 C ATOM 610 OG SER A 44 -2.431 13.910 7.102 1.00 0.00 O ATOM 0 H SER A 44 -2.147 10.502 6.533 1.00 0.00 H new ATOM 0 HA SER A 44 -4.415 11.587 8.128 1.00 0.00 H new ATOM 0 HB2 SER A 44 -3.301 13.414 8.908 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.818 12.558 8.538 1.00 0.00 H new ATOM 0 HG SER A 44 -3.261 14.308 6.766 1.00 0.00 H new ATOM 616 N CYS A 45 -4.106 11.249 5.179 1.00 0.00 N ATOM 617 CA CYS A 45 -4.590 11.574 3.803 1.00 0.00 C ATOM 618 C CYS A 45 -5.082 10.299 3.111 1.00 0.00 C ATOM 619 O CYS A 45 -5.247 9.265 3.727 1.00 0.00 O ATOM 620 CB CYS A 45 -3.459 12.210 2.973 1.00 0.00 C ATOM 621 SG CYS A 45 -2.377 10.933 2.261 1.00 0.00 S ATOM 0 H CYS A 45 -3.835 10.277 5.327 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.413 12.285 3.881 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.886 12.817 2.174 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.873 12.879 3.603 1.00 0.00 H new ATOM 626 N ALA A 46 -5.318 10.378 1.821 1.00 0.00 N ATOM 627 CA ALA A 46 -5.802 9.192 1.050 1.00 0.00 C ATOM 628 C ALA A 46 -4.913 9.003 -0.183 1.00 0.00 C ATOM 629 O ALA A 46 -5.176 8.166 -1.022 1.00 0.00 O ATOM 630 CB ALA A 46 -7.255 9.451 0.622 1.00 0.00 C ATOM 0 H ALA A 46 -5.194 11.225 1.266 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.757 8.290 1.661 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.626 8.596 0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.874 9.598 1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.297 10.343 -0.002 1.00 0.00 H new ATOM 636 N THR A 47 -3.866 9.774 -0.297 1.00 0.00 N ATOM 637 CA THR A 47 -2.964 9.641 -1.484 1.00 0.00 C ATOM 638 C THR A 47 -2.426 8.211 -1.557 1.00 0.00 C ATOM 639 O THR A 47 -2.012 7.748 -2.608 1.00 0.00 O ATOM 640 CB THR A 47 -1.789 10.613 -1.340 1.00 0.00 C ATOM 641 OG1 THR A 47 -1.108 10.352 -0.118 1.00 0.00 O ATOM 642 CG2 THR A 47 -2.308 12.052 -1.333 1.00 0.00 C ATOM 0 H THR A 47 -3.594 10.490 0.377 1.00 0.00 H new ATOM 0 HA THR A 47 -3.522 9.870 -2.392 1.00 0.00 H new ATOM 0 HB THR A 47 -1.105 10.479 -2.178 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.391 11.001 0.559 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.469 12.741 -1.230 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.832 12.254 -2.267 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.993 12.188 -0.496 1.00 0.00 H new ATOM 650 N CYS A 48 -2.417 7.512 -0.458 1.00 0.00 N ATOM 651 CA CYS A 48 -1.895 6.113 -0.455 1.00 0.00 C ATOM 652 C CYS A 48 -3.031 5.126 -0.756 1.00 0.00 C ATOM 653 O CYS A 48 -3.089 4.048 -0.203 1.00 0.00 O ATOM 654 CB CYS A 48 -1.302 5.806 0.911 1.00 0.00 C ATOM 655 SG CYS A 48 -2.505 6.231 2.196 1.00 0.00 S ATOM 0 H CYS A 48 -2.750 7.849 0.445 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.128 6.012 -1.223 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.040 4.750 0.977 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.382 6.372 1.056 1.00 0.00 H new ATOM 660 N HIS A 49 -3.933 5.498 -1.620 1.00 0.00 N ATOM 661 CA HIS A 49 -5.075 4.603 -1.974 1.00 0.00 C ATOM 662 C HIS A 49 -4.559 3.465 -2.872 1.00 0.00 C ATOM 663 O HIS A 49 -4.132 3.700 -3.982 1.00 0.00 O ATOM 664 CB HIS A 49 -6.095 5.458 -2.741 1.00 0.00 C ATOM 665 CG HIS A 49 -7.100 4.621 -3.497 1.00 0.00 C ATOM 666 ND1 HIS A 49 -7.955 3.699 -2.904 1.00 0.00 N ATOM 667 CD2 HIS A 49 -7.411 4.596 -4.832 1.00 0.00 C ATOM 668 CE1 HIS A 49 -8.725 3.165 -3.882 1.00 0.00 C ATOM 669 NE2 HIS A 49 -8.425 3.682 -5.066 1.00 0.00 N ATOM 0 H HIS A 49 -3.929 6.396 -2.104 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.533 4.166 -1.086 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.621 6.106 -2.040 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.568 6.106 -3.441 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -7.995 3.467 -1.912 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.935 5.200 -5.590 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.485 2.415 -3.719 1.00 0.00 H new ATOM 678 N VAL A 50 -4.597 2.229 -2.412 1.00 0.00 N ATOM 679 CA VAL A 50 -4.110 1.101 -3.267 1.00 0.00 C ATOM 680 C VAL A 50 -4.965 -0.127 -3.008 1.00 0.00 C ATOM 681 O VAL A 50 -5.886 -0.104 -2.215 1.00 0.00 O ATOM 682 CB VAL A 50 -2.624 0.779 -2.971 1.00 0.00 C ATOM 683 CG1 VAL A 50 -1.921 2.037 -2.489 1.00 0.00 C ATOM 684 CG2 VAL A 50 -2.485 -0.309 -1.888 1.00 0.00 C ATOM 0 H VAL A 50 -4.941 1.960 -1.490 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.190 1.396 -4.313 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.172 0.412 -3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.875 1.812 -2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.980 2.805 -3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.403 2.398 -1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.429 -0.509 -1.707 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.953 0.034 -0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.974 -1.223 -2.225 1.00 0.00 H new ATOM 694 N TYR A 51 -4.667 -1.198 -3.681 1.00 0.00 N ATOM 695 CA TYR A 51 -5.439 -2.445 -3.523 1.00 0.00 C ATOM 696 C TYR A 51 -4.482 -3.590 -3.158 1.00 0.00 C ATOM 697 O TYR A 51 -3.686 -4.048 -3.953 1.00 0.00 O ATOM 698 CB TYR A 51 -6.132 -2.691 -4.847 1.00 0.00 C ATOM 699 CG TYR A 51 -7.118 -1.570 -5.087 1.00 0.00 C ATOM 700 CD1 TYR A 51 -8.357 -1.547 -4.425 1.00 0.00 C ATOM 701 CD2 TYR A 51 -6.783 -0.535 -5.966 1.00 0.00 C ATOM 702 CE1 TYR A 51 -9.250 -0.498 -4.667 1.00 0.00 C ATOM 703 CE2 TYR A 51 -7.676 0.501 -6.189 1.00 0.00 C ATOM 704 CZ TYR A 51 -8.901 0.526 -5.549 1.00 0.00 C ATOM 705 OH TYR A 51 -9.765 1.560 -5.810 1.00 0.00 O ATOM 0 H TYR A 51 -3.899 -1.257 -4.350 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.178 -2.378 -2.725 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.402 -2.733 -5.655 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.647 -3.652 -4.833 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.618 -2.334 -3.734 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.828 -0.543 -6.471 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.209 -0.480 -4.171 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.412 1.297 -6.870 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.254 2.361 -6.048 1.00 0.00 H new ATOM 715 N VAL A 52 -4.597 -4.055 -1.952 1.00 0.00 N ATOM 716 CA VAL A 52 -3.744 -5.185 -1.478 1.00 0.00 C ATOM 717 C VAL A 52 -4.425 -6.488 -1.853 1.00 0.00 C ATOM 718 O VAL A 52 -5.600 -6.672 -1.602 1.00 0.00 O ATOM 719 CB VAL A 52 -3.581 -5.164 0.037 1.00 0.00 C ATOM 720 CG1 VAL A 52 -2.697 -6.341 0.461 1.00 0.00 C ATOM 721 CG2 VAL A 52 -2.933 -3.850 0.500 1.00 0.00 C ATOM 0 H VAL A 52 -5.255 -3.698 -1.259 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.761 -5.090 -1.940 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.566 -5.245 0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.575 -6.333 1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.165 -7.277 0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.720 -6.252 -0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.827 -3.859 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.950 -3.747 0.040 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.561 -3.010 0.204 1.00 0.00 H new ATOM 731 N ASN A 53 -3.710 -7.406 -2.444 1.00 0.00 N ATOM 732 CA ASN A 53 -4.353 -8.692 -2.793 1.00 0.00 C ATOM 733 C ASN A 53 -5.070 -9.224 -1.549 1.00 0.00 C ATOM 734 O ASN A 53 -4.477 -9.382 -0.506 1.00 0.00 O ATOM 735 CB ASN A 53 -3.308 -9.698 -3.282 1.00 0.00 C ATOM 736 CG ASN A 53 -2.025 -9.596 -2.455 1.00 0.00 C ATOM 737 OD1 ASN A 53 -1.795 -8.624 -1.763 1.00 0.00 O ATOM 738 ND2 ASN A 53 -1.173 -10.579 -2.500 1.00 0.00 N ATOM 0 H ASN A 53 -2.725 -7.319 -2.695 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.071 -8.542 -3.599 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.710 -10.709 -3.214 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.084 -9.514 -4.333 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.312 -10.533 -1.954 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.366 -11.395 -3.081 1.00 0.00 H new ATOM 745 N GLU A 54 -6.354 -9.430 -1.645 1.00 0.00 N ATOM 746 CA GLU A 54 -7.151 -9.893 -0.465 1.00 0.00 C ATOM 747 C GLU A 54 -6.488 -11.086 0.227 1.00 0.00 C ATOM 748 O GLU A 54 -7.004 -11.600 1.200 1.00 0.00 O ATOM 749 CB GLU A 54 -8.553 -10.299 -0.931 1.00 0.00 C ATOM 750 CG GLU A 54 -8.453 -11.473 -1.908 1.00 0.00 C ATOM 751 CD GLU A 54 -9.834 -11.766 -2.489 1.00 0.00 C ATOM 752 OE1 GLU A 54 -10.465 -10.835 -2.961 1.00 0.00 O ATOM 753 OE2 GLU A 54 -10.238 -12.917 -2.464 1.00 0.00 O ATOM 0 H GLU A 54 -6.895 -9.297 -2.499 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.207 -9.072 0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.165 -10.578 -0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.046 -9.454 -1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.752 -11.236 -2.708 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.067 -12.355 -1.397 1.00 0.00 H new ATOM 760 N ALA A 55 -5.362 -11.544 -0.241 1.00 0.00 N ATOM 761 CA ALA A 55 -4.698 -12.708 0.397 1.00 0.00 C ATOM 762 C ALA A 55 -3.749 -12.254 1.517 1.00 0.00 C ATOM 763 O ALA A 55 -3.316 -13.068 2.306 1.00 0.00 O ATOM 764 CB ALA A 55 -3.900 -13.481 -0.647 1.00 0.00 C ATOM 0 H ALA A 55 -4.870 -11.156 -1.046 1.00 0.00 H new ATOM 0 HA ALA A 55 -5.470 -13.346 0.827 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.414 -14.335 -0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.571 -13.833 -1.431 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.144 -12.829 -1.083 1.00 0.00 H new ATOM 770 N PHE A 56 -3.405 -10.986 1.615 1.00 0.00 N ATOM 771 CA PHE A 56 -2.472 -10.511 2.691 1.00 0.00 C ATOM 772 C PHE A 56 -3.228 -9.511 3.571 1.00 0.00 C ATOM 773 O PHE A 56 -2.740 -9.051 4.583 1.00 0.00 O ATOM 774 CB PHE A 56 -1.281 -9.804 2.015 1.00 0.00 C ATOM 775 CG PHE A 56 -0.488 -10.813 1.208 1.00 0.00 C ATOM 776 CD1 PHE A 56 -1.035 -11.382 0.045 1.00 0.00 C ATOM 777 CD2 PHE A 56 0.782 -11.207 1.633 1.00 0.00 C ATOM 778 CE1 PHE A 56 -0.314 -12.345 -0.664 1.00 0.00 C ATOM 779 CE2 PHE A 56 1.504 -12.161 0.924 1.00 0.00 C ATOM 780 CZ PHE A 56 0.955 -12.739 -0.223 1.00 0.00 C ATOM 0 H PHE A 56 -3.736 -10.253 0.987 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.114 -11.342 3.298 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.639 -9.004 1.367 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.643 -9.342 2.768 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.011 -11.075 -0.300 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.208 -10.766 2.522 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.736 -12.787 -1.554 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.488 -12.454 1.260 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.509 -13.489 -0.769 1.00 0.00 H new ATOM 790 N THR A 57 -4.417 -9.170 3.161 1.00 0.00 N ATOM 791 CA THR A 57 -5.241 -8.189 3.929 1.00 0.00 C ATOM 792 C THR A 57 -5.733 -8.807 5.239 1.00 0.00 C ATOM 793 O THR A 57 -5.813 -8.145 6.254 1.00 0.00 O ATOM 794 CB THR A 57 -6.462 -7.793 3.099 1.00 0.00 C ATOM 795 OG1 THR A 57 -7.052 -8.962 2.545 1.00 0.00 O ATOM 796 CG2 THR A 57 -6.035 -6.855 1.980 1.00 0.00 C ATOM 0 H THR A 57 -4.860 -9.532 2.317 1.00 0.00 H new ATOM 0 HA THR A 57 -4.623 -7.318 4.147 1.00 0.00 H new ATOM 0 HB THR A 57 -7.188 -7.286 3.735 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.980 -8.772 2.294 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.906 -6.573 1.389 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.582 -5.961 2.408 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.310 -7.358 1.340 1.00 0.00 H new ATOM 804 N ASP A 58 -6.094 -10.061 5.218 1.00 0.00 N ATOM 805 CA ASP A 58 -6.615 -10.709 6.459 1.00 0.00 C ATOM 806 C ASP A 58 -5.476 -11.363 7.227 1.00 0.00 C ATOM 807 O ASP A 58 -5.692 -12.128 8.148 1.00 0.00 O ATOM 808 CB ASP A 58 -7.647 -11.770 6.061 1.00 0.00 C ATOM 809 CG ASP A 58 -6.950 -12.926 5.344 1.00 0.00 C ATOM 810 OD1 ASP A 58 -6.455 -12.702 4.245 1.00 0.00 O ATOM 811 OD2 ASP A 58 -6.922 -14.012 5.896 1.00 0.00 O ATOM 0 H ASP A 58 -6.051 -10.665 4.397 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.078 -9.957 7.098 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.164 -12.138 6.947 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.403 -11.330 5.411 1.00 0.00 H new ATOM 816 N LYS A 59 -4.266 -11.069 6.852 1.00 0.00 N ATOM 817 CA LYS A 59 -3.086 -11.663 7.534 1.00 0.00 C ATOM 818 C LYS A 59 -2.259 -10.537 8.153 1.00 0.00 C ATOM 819 O LYS A 59 -1.854 -10.596 9.304 1.00 0.00 O ATOM 820 CB LYS A 59 -2.269 -12.404 6.478 1.00 0.00 C ATOM 821 CG LYS A 59 -3.228 -13.110 5.494 1.00 0.00 C ATOM 822 CD LYS A 59 -2.504 -14.249 4.750 1.00 0.00 C ATOM 823 CE LYS A 59 -3.533 -15.219 4.150 1.00 0.00 C ATOM 824 NZ LYS A 59 -3.950 -16.204 5.191 1.00 0.00 N ATOM 0 H LYS A 59 -4.041 -10.431 6.089 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.385 -12.353 8.323 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.628 -11.705 5.941 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.615 -13.135 6.954 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.084 -13.510 6.037 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.616 -12.388 4.775 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.876 -13.837 3.960 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.846 -14.782 5.436 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.400 -14.668 3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.104 -15.738 3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.647 -16.862 4.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.119 -16.737 5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.375 -15.700 5.995 1.00 0.00 H new ATOM 838 N VAL A 60 -2.008 -9.513 7.395 1.00 0.00 N ATOM 839 CA VAL A 60 -1.206 -8.363 7.904 1.00 0.00 C ATOM 840 C VAL A 60 -2.089 -7.619 8.944 1.00 0.00 C ATOM 841 O VAL A 60 -3.253 -7.937 9.073 1.00 0.00 O ATOM 842 CB VAL A 60 -0.790 -7.515 6.658 1.00 0.00 C ATOM 843 CG1 VAL A 60 -1.688 -6.278 6.489 1.00 0.00 C ATOM 844 CG2 VAL A 60 0.729 -7.131 6.682 1.00 0.00 C ATOM 0 H VAL A 60 -2.327 -9.419 6.431 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.285 -8.637 8.418 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.939 -8.147 5.783 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.369 -5.713 5.613 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.723 -6.595 6.359 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.610 -5.648 7.375 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.970 -6.543 5.796 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.942 -6.545 7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.333 -8.038 6.690 1.00 0.00 H new ATOM 854 N PRO A 61 -1.561 -6.696 9.727 1.00 0.00 N ATOM 855 CA PRO A 61 -2.378 -6.030 10.785 1.00 0.00 C ATOM 856 C PRO A 61 -3.581 -5.247 10.239 1.00 0.00 C ATOM 857 O PRO A 61 -3.445 -4.237 9.574 1.00 0.00 O ATOM 858 CB PRO A 61 -1.391 -5.121 11.549 1.00 0.00 C ATOM 859 CG PRO A 61 -0.151 -5.029 10.705 1.00 0.00 C ATOM 860 CD PRO A 61 -0.177 -6.187 9.696 1.00 0.00 C ATOM 0 HA PRO A 61 -2.838 -6.775 11.435 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -1.822 -4.133 11.714 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.162 -5.536 12.530 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -0.114 -4.072 10.185 1.00 0.00 H new ATOM 0 HG3 PRO A 61 0.740 -5.088 11.330 1.00 0.00 H new ATOM 0 HD2 PRO A 61 0.095 -5.845 8.697 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.535 -6.965 9.971 1.00 0.00 H new ATOM 868 N ALA A 62 -4.760 -5.737 10.521 1.00 0.00 N ATOM 869 CA ALA A 62 -6.004 -5.101 10.064 1.00 0.00 C ATOM 870 C ALA A 62 -5.939 -3.596 10.235 1.00 0.00 C ATOM 871 O ALA A 62 -5.422 -3.066 11.200 1.00 0.00 O ATOM 872 CB ALA A 62 -7.180 -5.650 10.866 1.00 0.00 C ATOM 0 H ALA A 62 -4.903 -6.584 11.071 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.136 -5.324 9.005 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.103 -5.179 10.528 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.248 -6.728 10.720 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.030 -5.436 11.924 1.00 0.00 H new ATOM 878 N ALA A 63 -6.470 -2.926 9.280 1.00 0.00 N ATOM 879 CA ALA A 63 -6.487 -1.435 9.286 1.00 0.00 C ATOM 880 C ALA A 63 -7.415 -0.908 10.389 1.00 0.00 C ATOM 881 O ALA A 63 -8.485 -1.431 10.636 1.00 0.00 O ATOM 882 CB ALA A 63 -6.982 -0.933 7.932 1.00 0.00 C ATOM 0 H ALA A 63 -6.911 -3.349 8.463 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.476 -1.074 9.476 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.996 0.157 7.931 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.315 -1.288 7.146 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.989 -1.309 7.750 1.00 0.00 H new ATOM 888 N ASN A 64 -6.975 0.108 11.087 1.00 0.00 N ATOM 889 CA ASN A 64 -7.793 0.657 12.215 1.00 0.00 C ATOM 890 C ASN A 64 -8.860 1.622 11.679 1.00 0.00 C ATOM 891 O ASN A 64 -8.883 1.974 10.520 1.00 0.00 O ATOM 892 CB ASN A 64 -6.887 1.384 13.222 1.00 0.00 C ATOM 893 CG ASN A 64 -5.743 2.079 12.485 1.00 0.00 C ATOM 894 OD1 ASN A 64 -4.830 1.357 11.898 1.00 0.00 O flip ATOM 895 ND2 ASN A 64 -5.675 3.291 12.458 1.00 0.00 N flip ATOM 0 H ASN A 64 -6.086 0.582 10.926 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.290 -0.172 12.719 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.467 2.116 13.784 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.487 0.672 13.944 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.391 3.852 12.918 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.902 3.748 11.975 1.00 0.00 H new ATOM 902 N GLU A 65 -9.766 2.001 12.534 1.00 0.00 N ATOM 903 CA GLU A 65 -10.899 2.894 12.143 1.00 0.00 C ATOM 904 C GLU A 65 -10.438 4.241 11.579 1.00 0.00 C ATOM 905 O GLU A 65 -11.228 4.956 11.000 1.00 0.00 O ATOM 906 CB GLU A 65 -11.773 3.143 13.369 1.00 0.00 C ATOM 907 CG GLU A 65 -10.998 3.984 14.391 1.00 0.00 C ATOM 908 CD GLU A 65 -11.746 3.985 15.722 1.00 0.00 C ATOM 909 OE1 GLU A 65 -12.731 4.696 15.828 1.00 0.00 O ATOM 910 OE2 GLU A 65 -11.320 3.274 16.617 1.00 0.00 O ATOM 0 H GLU A 65 -9.771 1.723 13.515 1.00 0.00 H new ATOM 0 HA GLU A 65 -11.452 2.388 11.351 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -12.688 3.659 13.077 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.071 2.194 13.815 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.995 3.579 14.526 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.883 5.004 14.026 1.00 0.00 H new ATOM 917 N ARG A 66 -9.203 4.625 11.727 1.00 0.00 N ATOM 918 CA ARG A 66 -8.795 5.940 11.169 1.00 0.00 C ATOM 919 C ARG A 66 -8.582 5.817 9.661 1.00 0.00 C ATOM 920 O ARG A 66 -8.970 6.667 8.903 1.00 0.00 O ATOM 921 CB ARG A 66 -7.487 6.371 11.831 1.00 0.00 C ATOM 922 CG ARG A 66 -7.652 6.376 13.351 1.00 0.00 C ATOM 923 CD ARG A 66 -6.478 7.121 13.988 1.00 0.00 C ATOM 924 NE ARG A 66 -5.208 6.364 13.758 1.00 0.00 N ATOM 925 CZ ARG A 66 -4.784 5.493 14.641 1.00 0.00 C ATOM 926 NH1 ARG A 66 -5.520 5.203 15.688 1.00 0.00 N ATOM 927 NH2 ARG A 66 -3.631 4.901 14.469 1.00 0.00 N ATOM 0 H ARG A 66 -8.471 4.096 12.201 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.573 6.678 11.361 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.684 5.692 11.546 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.203 7.364 11.484 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.592 6.855 13.624 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.695 5.354 13.726 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.397 8.121 13.563 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.650 7.242 15.057 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.668 6.527 12.908 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.425 5.656 15.817 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.187 4.525 16.373 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.064 5.117 13.649 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.299 4.223 15.155 1.00 0.00 H new ATOM 941 N GLU A 67 -8.003 4.742 9.231 1.00 0.00 N ATOM 942 CA GLU A 67 -7.775 4.533 7.775 1.00 0.00 C ATOM 943 C GLU A 67 -9.117 4.410 7.052 1.00 0.00 C ATOM 944 O GLU A 67 -9.306 4.936 5.971 1.00 0.00 O ATOM 945 CB GLU A 67 -6.972 3.248 7.582 1.00 0.00 C ATOM 946 CG GLU A 67 -5.583 3.418 8.201 1.00 0.00 C ATOM 947 CD GLU A 67 -5.684 3.374 9.731 1.00 0.00 C ATOM 948 OE1 GLU A 67 -6.719 2.965 10.225 1.00 0.00 O ATOM 949 OE2 GLU A 67 -4.720 3.752 10.375 1.00 0.00 O ATOM 0 H GLU A 67 -7.672 3.986 9.830 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.227 5.381 7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.490 2.409 8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.883 3.018 6.520 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.919 2.628 7.849 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.147 4.365 7.884 1.00 0.00 H new ATOM 956 N ILE A 68 -10.050 3.720 7.643 1.00 0.00 N ATOM 957 CA ILE A 68 -11.389 3.552 7.012 1.00 0.00 C ATOM 958 C ILE A 68 -11.941 4.934 6.638 1.00 0.00 C ATOM 959 O ILE A 68 -12.583 5.106 5.623 1.00 0.00 O ATOM 960 CB ILE A 68 -12.323 2.836 8.015 1.00 0.00 C ATOM 961 CG1 ILE A 68 -12.158 1.310 7.894 1.00 0.00 C ATOM 962 CG2 ILE A 68 -13.794 3.195 7.756 1.00 0.00 C ATOM 963 CD1 ILE A 68 -10.674 0.926 7.919 1.00 0.00 C ATOM 0 H ILE A 68 -9.942 3.260 8.547 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.318 2.950 6.106 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.047 3.165 9.017 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -12.681 0.816 8.713 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.614 0.961 6.967 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.427 2.677 8.476 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.930 4.271 7.862 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -14.070 2.892 6.746 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -10.577 -0.156 7.832 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.160 1.404 7.085 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -10.228 1.256 8.857 1.00 0.00 H new ATOM 975 N GLY A 69 -11.708 5.914 7.462 1.00 0.00 N ATOM 976 CA GLY A 69 -12.234 7.277 7.157 1.00 0.00 C ATOM 977 C GLY A 69 -11.480 7.903 5.983 1.00 0.00 C ATOM 978 O GLY A 69 -12.047 8.657 5.213 1.00 0.00 O ATOM 0 H GLY A 69 -11.179 5.834 8.330 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.297 7.217 6.921 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.138 7.913 8.037 1.00 0.00 H new ATOM 982 N MET A 70 -10.222 7.593 5.803 1.00 0.00 N ATOM 983 CA MET A 70 -9.482 8.175 4.643 1.00 0.00 C ATOM 984 C MET A 70 -9.838 7.358 3.400 1.00 0.00 C ATOM 985 O MET A 70 -9.940 7.872 2.304 1.00 0.00 O ATOM 986 CB MET A 70 -7.957 8.126 4.886 1.00 0.00 C ATOM 987 CG MET A 70 -7.655 8.187 6.387 1.00 0.00 C ATOM 988 SD MET A 70 -8.322 9.703 7.109 1.00 0.00 S ATOM 989 CE MET A 70 -8.155 9.220 8.853 1.00 0.00 C ATOM 0 H MET A 70 -9.680 6.969 6.401 1.00 0.00 H new ATOM 0 HA MET A 70 -9.765 9.219 4.511 1.00 0.00 H new ATOM 0 HB2 MET A 70 -7.544 7.211 4.462 1.00 0.00 H new ATOM 0 HB3 MET A 70 -7.474 8.960 4.377 1.00 0.00 H new ATOM 0 HG2 MET A 70 -8.087 7.320 6.886 1.00 0.00 H new ATOM 0 HG3 MET A 70 -6.578 8.144 6.549 1.00 0.00 H new ATOM 0 HE1 MET A 70 -7.716 10.043 9.418 1.00 0.00 H new ATOM 0 HE2 MET A 70 -9.138 8.983 9.261 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.510 8.344 8.928 1.00 0.00 H new ATOM 999 N LEU A 71 -10.026 6.079 3.573 1.00 0.00 N ATOM 1000 CA LEU A 71 -10.378 5.197 2.431 1.00 0.00 C ATOM 1001 C LEU A 71 -11.684 5.692 1.801 1.00 0.00 C ATOM 1002 O LEU A 71 -11.885 5.601 0.612 1.00 0.00 O ATOM 1003 CB LEU A 71 -10.546 3.756 2.947 1.00 0.00 C ATOM 1004 CG LEU A 71 -9.180 3.031 2.961 1.00 0.00 C ATOM 1005 CD1 LEU A 71 -9.215 1.889 3.981 1.00 0.00 C ATOM 1006 CD2 LEU A 71 -8.876 2.443 1.580 1.00 0.00 C ATOM 0 H LEU A 71 -9.949 5.603 4.472 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.590 5.218 1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.969 3.769 3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.247 3.214 2.312 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.408 3.752 3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.252 1.379 3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.421 2.293 4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.998 1.181 3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.912 1.936 1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.654 1.730 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.845 3.245 0.842 1.00 0.00 H new ATOM 1018 N GLU A 72 -12.571 6.223 2.598 1.00 0.00 N ATOM 1019 CA GLU A 72 -13.862 6.732 2.059 1.00 0.00 C ATOM 1020 C GLU A 72 -13.623 8.102 1.414 1.00 0.00 C ATOM 1021 O GLU A 72 -14.475 8.650 0.742 1.00 0.00 O ATOM 1022 CB GLU A 72 -14.849 6.862 3.232 1.00 0.00 C ATOM 1023 CG GLU A 72 -16.099 7.638 2.804 1.00 0.00 C ATOM 1024 CD GLU A 72 -16.663 7.038 1.509 1.00 0.00 C ATOM 1025 OE1 GLU A 72 -17.050 5.881 1.537 1.00 0.00 O ATOM 1026 OE2 GLU A 72 -16.702 7.746 0.518 1.00 0.00 O ATOM 0 H GLU A 72 -12.455 6.326 3.606 1.00 0.00 H new ATOM 0 HA GLU A 72 -14.269 6.054 1.309 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.133 5.871 3.586 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.366 7.372 4.066 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -16.851 7.598 3.592 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.852 8.689 2.652 1.00 0.00 H new ATOM 1033 N CYS A 73 -12.461 8.653 1.635 1.00 0.00 N ATOM 1034 CA CYS A 73 -12.126 9.997 1.067 1.00 0.00 C ATOM 1035 C CYS A 73 -11.219 9.847 -0.164 1.00 0.00 C ATOM 1036 O CYS A 73 -10.639 10.809 -0.621 1.00 0.00 O ATOM 1037 CB CYS A 73 -11.410 10.827 2.164 1.00 0.00 C ATOM 1038 SG CYS A 73 -12.367 12.319 2.551 1.00 0.00 S ATOM 0 H CYS A 73 -11.719 8.227 2.191 1.00 0.00 H new ATOM 0 HA CYS A 73 -13.038 10.504 0.752 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -11.286 10.223 3.063 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -10.412 11.105 1.826 1.00 0.00 H new ATOM 0 HG CYS A 73 -11.754 13.001 3.473 1.00 0.00 H new ATOM 1044 N VAL A 74 -11.072 8.662 -0.700 1.00 0.00 N ATOM 1045 CA VAL A 74 -10.186 8.479 -1.887 1.00 0.00 C ATOM 1046 C VAL A 74 -10.898 8.939 -3.163 1.00 0.00 C ATOM 1047 O VAL A 74 -12.091 9.171 -3.170 1.00 0.00 O ATOM 1048 CB VAL A 74 -9.846 6.999 -2.019 1.00 0.00 C ATOM 1049 CG1 VAL A 74 -9.241 6.489 -0.708 1.00 0.00 C ATOM 1050 CG2 VAL A 74 -11.118 6.215 -2.312 1.00 0.00 C ATOM 0 H VAL A 74 -11.528 7.813 -0.366 1.00 0.00 H new ATOM 0 HA VAL A 74 -9.282 9.072 -1.753 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.129 6.866 -2.830 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.999 5.431 -0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.333 7.049 -0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.959 6.624 0.101 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.879 5.156 -2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.828 6.355 -1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.559 6.572 -3.242 1.00 0.00 H new ATOM 1060 N THR A 75 -10.167 9.086 -4.238 1.00 0.00 N ATOM 1061 CA THR A 75 -10.789 9.544 -5.518 1.00 0.00 C ATOM 1062 C THR A 75 -11.203 8.362 -6.402 1.00 0.00 C ATOM 1063 O THR A 75 -12.011 8.528 -7.294 1.00 0.00 O ATOM 1064 CB THR A 75 -9.786 10.406 -6.292 1.00 0.00 C ATOM 1065 OG1 THR A 75 -9.239 11.371 -5.406 1.00 0.00 O ATOM 1066 CG2 THR A 75 -10.498 11.114 -7.442 1.00 0.00 C ATOM 0 H THR A 75 -9.164 8.908 -4.285 1.00 0.00 H new ATOM 0 HA THR A 75 -11.681 10.118 -5.267 1.00 0.00 H new ATOM 0 HB THR A 75 -8.992 9.779 -6.698 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.926 12.032 -5.177 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.783 11.726 -7.991 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.931 10.373 -8.113 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.289 11.749 -7.044 1.00 0.00 H new ATOM 1074 N ALA A 76 -10.669 7.173 -6.203 1.00 0.00 N ATOM 1075 CA ALA A 76 -11.058 6.019 -7.084 1.00 0.00 C ATOM 1076 C ALA A 76 -12.091 5.126 -6.364 1.00 0.00 C ATOM 1077 O ALA A 76 -12.554 5.434 -5.277 1.00 0.00 O ATOM 1078 CB ALA A 76 -9.792 5.211 -7.423 1.00 0.00 C ATOM 0 H ALA A 76 -9.988 6.955 -5.476 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.513 6.389 -8.003 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -10.058 4.369 -8.062 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.080 5.852 -7.944 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.340 4.839 -6.503 1.00 0.00 H new ATOM 1084 N GLU A 77 -12.485 4.047 -6.989 1.00 0.00 N ATOM 1085 CA GLU A 77 -13.528 3.126 -6.423 1.00 0.00 C ATOM 1086 C GLU A 77 -12.969 2.279 -5.268 1.00 0.00 C ATOM 1087 O GLU A 77 -11.943 1.660 -5.388 1.00 0.00 O ATOM 1088 CB GLU A 77 -14.008 2.237 -7.607 1.00 0.00 C ATOM 1089 CG GLU A 77 -13.955 0.724 -7.318 1.00 0.00 C ATOM 1090 CD GLU A 77 -14.919 0.375 -6.186 1.00 0.00 C ATOM 1091 OE1 GLU A 77 -15.386 1.289 -5.525 1.00 0.00 O ATOM 1092 OE2 GLU A 77 -15.180 -0.803 -6.003 1.00 0.00 O ATOM 0 H GLU A 77 -12.119 3.754 -7.895 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.358 3.689 -5.996 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.031 2.512 -7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.393 2.451 -8.481 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.217 0.164 -8.216 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.941 0.433 -7.046 1.00 0.00 H new ATOM 1099 N LEU A 78 -13.641 2.239 -4.146 1.00 0.00 N ATOM 1100 CA LEU A 78 -13.119 1.413 -3.016 1.00 0.00 C ATOM 1101 C LEU A 78 -13.527 -0.041 -3.174 1.00 0.00 C ATOM 1102 O LEU A 78 -14.549 -0.379 -3.735 1.00 0.00 O ATOM 1103 CB LEU A 78 -13.611 1.956 -1.655 1.00 0.00 C ATOM 1104 CG LEU A 78 -12.513 1.712 -0.595 1.00 0.00 C ATOM 1105 CD1 LEU A 78 -11.346 2.699 -0.809 1.00 0.00 C ATOM 1106 CD2 LEU A 78 -13.092 1.863 0.813 1.00 0.00 C ATOM 0 H LEU A 78 -14.514 2.734 -3.964 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.031 1.475 -3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.832 3.021 -1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.536 1.459 -1.362 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.135 0.695 -0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.576 2.521 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.924 2.553 -1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.713 3.721 -0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.308 1.688 1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.489 2.871 0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.893 1.138 0.957 1.00 0.00 H new ATOM 1118 N LYS A 79 -12.683 -0.893 -2.692 1.00 0.00 N ATOM 1119 CA LYS A 79 -12.895 -2.354 -2.781 1.00 0.00 C ATOM 1120 C LYS A 79 -13.174 -2.916 -1.385 1.00 0.00 C ATOM 1121 O LYS A 79 -12.821 -2.315 -0.389 1.00 0.00 O ATOM 1122 CB LYS A 79 -11.575 -2.929 -3.302 1.00 0.00 C ATOM 1123 CG LYS A 79 -11.498 -2.826 -4.830 1.00 0.00 C ATOM 1124 CD LYS A 79 -12.286 -3.966 -5.496 1.00 0.00 C ATOM 1125 CE LYS A 79 -11.944 -4.013 -6.981 1.00 0.00 C ATOM 1126 NZ LYS A 79 -10.472 -4.183 -7.149 1.00 0.00 N ATOM 0 H LYS A 79 -11.819 -0.626 -2.220 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.736 -2.605 -3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.738 -2.392 -2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.483 -3.972 -2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.897 -1.865 -5.154 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.456 -2.863 -5.149 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.041 -4.917 -5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.357 -3.810 -5.362 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.473 -4.837 -7.461 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.273 -3.096 -7.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.285 -4.830 -7.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.036 -3.259 -7.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.066 -4.579 -6.277 1.00 0.00 H new ATOM 1140 N PRO A 80 -13.767 -4.074 -1.303 1.00 0.00 N ATOM 1141 CA PRO A 80 -14.029 -4.713 0.008 1.00 0.00 C ATOM 1142 C PRO A 80 -12.703 -4.911 0.741 1.00 0.00 C ATOM 1143 O PRO A 80 -12.625 -4.792 1.950 1.00 0.00 O ATOM 1144 CB PRO A 80 -14.691 -6.061 -0.345 1.00 0.00 C ATOM 1145 CG PRO A 80 -14.372 -6.284 -1.793 1.00 0.00 C ATOM 1146 CD PRO A 80 -14.251 -4.897 -2.418 1.00 0.00 C ATOM 0 HA PRO A 80 -14.666 -4.121 0.664 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -14.298 -6.867 0.274 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -15.768 -6.027 -0.179 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -13.444 -6.845 -1.906 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -15.156 -6.864 -2.280 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -13.554 -4.891 -3.256 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -15.209 -4.540 -2.797 1.00 0.00 H new ATOM 1154 N ASN A 81 -11.656 -5.210 0.008 1.00 0.00 N ATOM 1155 CA ASN A 81 -10.308 -5.417 0.623 1.00 0.00 C ATOM 1156 C ASN A 81 -9.365 -4.270 0.218 1.00 0.00 C ATOM 1157 O ASN A 81 -8.163 -4.439 0.169 1.00 0.00 O ATOM 1158 CB ASN A 81 -9.741 -6.788 0.173 1.00 0.00 C ATOM 1159 CG ASN A 81 -8.892 -6.672 -1.095 1.00 0.00 C ATOM 1160 OD1 ASN A 81 -7.923 -7.385 -1.255 1.00 0.00 O ATOM 1161 ND2 ASN A 81 -9.214 -5.805 -2.009 1.00 0.00 N ATOM 0 H ASN A 81 -11.681 -5.321 -1.006 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.395 -5.416 1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.137 -7.211 0.976 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.564 -7.480 -0.005 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -8.653 -5.726 -2.857 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.028 -5.204 -1.878 1.00 0.00 H new ATOM 1168 N SER A 82 -9.889 -3.094 -0.028 1.00 0.00 N ATOM 1169 CA SER A 82 -9.018 -1.937 -0.370 1.00 0.00 C ATOM 1170 C SER A 82 -8.237 -1.539 0.876 1.00 0.00 C ATOM 1171 O SER A 82 -8.730 -1.651 1.973 1.00 0.00 O ATOM 1172 CB SER A 82 -9.895 -0.775 -0.814 1.00 0.00 C ATOM 1173 OG SER A 82 -9.461 -0.346 -2.085 1.00 0.00 O ATOM 0 H SER A 82 -10.888 -2.889 -0.005 1.00 0.00 H new ATOM 0 HA SER A 82 -8.329 -2.199 -1.173 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.940 -1.083 -0.855 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.832 0.043 -0.096 1.00 0.00 H new ATOM 0 HG SER A 82 -9.154 -1.119 -2.604 1.00 0.00 H new ATOM 1179 N ARG A 83 -7.026 -1.089 0.709 1.00 0.00 N ATOM 1180 CA ARG A 83 -6.213 -0.710 1.906 1.00 0.00 C ATOM 1181 C ARG A 83 -5.306 0.468 1.587 1.00 0.00 C ATOM 1182 O ARG A 83 -5.085 0.819 0.442 1.00 0.00 O ATOM 1183 CB ARG A 83 -5.331 -1.902 2.310 1.00 0.00 C ATOM 1184 CG ARG A 83 -6.105 -2.880 3.197 1.00 0.00 C ATOM 1185 CD ARG A 83 -6.133 -2.393 4.651 1.00 0.00 C ATOM 1186 NE ARG A 83 -6.716 -3.474 5.477 1.00 0.00 N ATOM 1187 CZ ARG A 83 -5.952 -4.408 5.980 1.00 0.00 C ATOM 1188 NH1 ARG A 83 -4.664 -4.380 5.767 1.00 0.00 N ATOM 1189 NH2 ARG A 83 -6.477 -5.380 6.666 1.00 0.00 N ATOM 0 H ARG A 83 -6.564 -0.967 -0.192 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.891 -0.435 2.714 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.978 -2.417 1.417 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.449 -1.543 2.841 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.124 -2.987 2.825 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.643 -3.866 3.148 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.127 -2.151 4.993 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.726 -1.483 4.738 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.720 -3.490 5.655 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.256 -3.630 5.209 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.066 -5.108 6.159 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.486 -5.414 6.812 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.880 -6.108 7.058 1.00 0.00 H new ATOM 1203 N LEU A 84 -4.753 1.053 2.605 1.00 0.00 N ATOM 1204 CA LEU A 84 -3.819 2.190 2.413 1.00 0.00 C ATOM 1205 C LEU A 84 -2.395 1.630 2.399 1.00 0.00 C ATOM 1206 O LEU A 84 -2.157 0.501 2.777 1.00 0.00 O ATOM 1207 CB LEU A 84 -4.004 3.189 3.564 1.00 0.00 C ATOM 1208 CG LEU A 84 -5.464 3.675 3.591 1.00 0.00 C ATOM 1209 CD1 LEU A 84 -5.633 4.703 4.716 1.00 0.00 C ATOM 1210 CD2 LEU A 84 -5.844 4.320 2.243 1.00 0.00 C ATOM 0 H LEU A 84 -4.911 0.788 3.577 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.014 2.709 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.749 2.718 4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.330 4.036 3.437 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.118 2.821 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.666 5.050 4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.384 4.241 5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.969 5.549 4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.880 4.658 2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.191 5.171 2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.730 3.587 1.444 1.00 0.00 H new ATOM 1222 N CYS A 85 -1.457 2.387 1.906 1.00 0.00 N ATOM 1223 CA CYS A 85 -0.052 1.888 1.799 1.00 0.00 C ATOM 1224 C CYS A 85 0.815 2.350 2.977 1.00 0.00 C ATOM 1225 O CYS A 85 1.828 1.746 3.277 1.00 0.00 O ATOM 1226 CB CYS A 85 0.531 2.433 0.492 1.00 0.00 C ATOM 1227 SG CYS A 85 1.852 1.348 -0.090 1.00 0.00 S ATOM 0 H CYS A 85 -1.601 3.339 1.569 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.059 0.798 1.814 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.252 2.505 -0.263 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.918 3.440 0.648 1.00 0.00 H new ATOM 0 HG CYS A 85 2.043 1.540 -1.361 1.00 0.00 H new ATOM 1233 N CYS A 86 0.463 3.427 3.636 1.00 0.00 N ATOM 1234 CA CYS A 86 1.315 3.925 4.763 1.00 0.00 C ATOM 1235 C CYS A 86 0.940 3.263 6.099 1.00 0.00 C ATOM 1236 O CYS A 86 1.657 3.398 7.072 1.00 0.00 O ATOM 1237 CB CYS A 86 1.164 5.446 4.883 1.00 0.00 C ATOM 1238 SG CYS A 86 -0.531 5.862 5.354 1.00 0.00 S ATOM 0 H CYS A 86 -0.372 3.981 3.445 1.00 0.00 H new ATOM 0 HA CYS A 86 2.350 3.665 4.542 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.862 5.832 5.626 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.414 5.921 3.934 1.00 0.00 H new ATOM 1243 N GLN A 87 -0.165 2.554 6.171 1.00 0.00 N ATOM 1244 CA GLN A 87 -0.561 1.892 7.472 1.00 0.00 C ATOM 1245 C GLN A 87 -0.393 0.364 7.364 1.00 0.00 C ATOM 1246 O GLN A 87 -0.895 -0.383 8.180 1.00 0.00 O ATOM 1247 CB GLN A 87 -2.030 2.227 7.779 1.00 0.00 C ATOM 1248 CG GLN A 87 -2.281 2.104 9.287 1.00 0.00 C ATOM 1249 CD GLN A 87 -1.668 3.307 10.008 1.00 0.00 C ATOM 1250 OE1 GLN A 87 -1.003 4.194 9.313 1.00 0.00 O flip ATOM 1251 NE2 GLN A 87 -1.793 3.440 11.207 1.00 0.00 N flip ATOM 0 H GLN A 87 -0.809 2.402 5.395 1.00 0.00 H new ATOM 0 HA GLN A 87 0.080 2.260 8.273 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.261 3.238 7.443 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -2.689 1.551 7.234 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.352 2.055 9.485 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.844 1.179 9.665 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.312 2.747 11.746 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.379 4.245 11.677 1.00 0.00 H new ATOM 1260 N ILE A 88 0.301 -0.089 6.351 1.00 0.00 N ATOM 1261 CA ILE A 88 0.502 -1.568 6.160 1.00 0.00 C ATOM 1262 C ILE A 88 1.934 -1.968 6.541 1.00 0.00 C ATOM 1263 O ILE A 88 2.893 -1.451 6.022 1.00 0.00 O ATOM 1264 CB ILE A 88 0.224 -1.916 4.690 1.00 0.00 C ATOM 1265 CG1 ILE A 88 -1.281 -1.739 4.399 1.00 0.00 C ATOM 1266 CG2 ILE A 88 0.654 -3.355 4.389 1.00 0.00 C ATOM 1267 CD1 ILE A 88 -2.130 -2.860 5.034 1.00 0.00 C ATOM 0 H ILE A 88 0.741 0.499 5.643 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.184 -2.118 6.805 1.00 0.00 H new ATOM 0 HB ILE A 88 0.799 -1.247 4.050 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.613 -0.773 4.780 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.443 -1.729 3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.450 -3.585 3.343 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.721 -3.464 4.583 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.098 -4.042 5.027 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.182 -2.694 4.803 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.818 -3.824 4.633 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.990 -2.854 6.115 1.00 0.00 H new ATOM 1279 N ILE A 89 2.069 -2.889 7.471 1.00 0.00 N ATOM 1280 CA ILE A 89 3.423 -3.340 7.944 1.00 0.00 C ATOM 1281 C ILE A 89 3.803 -4.671 7.277 1.00 0.00 C ATOM 1282 O ILE A 89 3.157 -5.684 7.472 1.00 0.00 O ATOM 1283 CB ILE A 89 3.381 -3.511 9.483 1.00 0.00 C ATOM 1284 CG1 ILE A 89 3.698 -2.170 10.162 1.00 0.00 C ATOM 1285 CG2 ILE A 89 4.399 -4.565 9.964 1.00 0.00 C ATOM 1286 CD1 ILE A 89 2.806 -1.064 9.586 1.00 0.00 C ATOM 0 H ILE A 89 1.286 -3.355 7.929 1.00 0.00 H new ATOM 0 HA ILE A 89 4.172 -2.595 7.675 1.00 0.00 H new ATOM 0 HB ILE A 89 2.380 -3.847 9.752 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.540 -2.252 11.237 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.747 -1.917 10.012 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.341 -4.658 11.048 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.171 -5.527 9.505 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.405 -4.256 9.679 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.039 -0.118 10.074 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.985 -0.973 8.515 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.759 -1.314 9.759 1.00 0.00 H new ATOM 1298 N MET A 90 4.854 -4.664 6.520 1.00 0.00 N ATOM 1299 CA MET A 90 5.296 -5.909 5.847 1.00 0.00 C ATOM 1300 C MET A 90 5.890 -6.875 6.880 1.00 0.00 C ATOM 1301 O MET A 90 6.400 -6.470 7.903 1.00 0.00 O ATOM 1302 CB MET A 90 6.350 -5.568 4.804 1.00 0.00 C ATOM 1303 CG MET A 90 6.589 -6.792 3.922 1.00 0.00 C ATOM 1304 SD MET A 90 5.121 -7.096 2.903 1.00 0.00 S ATOM 1305 CE MET A 90 4.555 -8.661 3.629 1.00 0.00 C ATOM 0 H MET A 90 5.432 -3.844 6.336 1.00 0.00 H new ATOM 0 HA MET A 90 4.442 -6.383 5.364 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.020 -4.725 4.197 1.00 0.00 H new ATOM 0 HB3 MET A 90 7.278 -5.267 5.290 1.00 0.00 H new ATOM 0 HG2 MET A 90 7.460 -6.631 3.286 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.803 -7.664 4.541 1.00 0.00 H new ATOM 0 HE1 MET A 90 3.803 -9.111 2.982 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.400 -9.342 3.731 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.122 -8.471 4.611 1.00 0.00 H new ATOM 1315 N THR A 91 5.844 -8.153 6.599 1.00 0.00 N ATOM 1316 CA THR A 91 6.424 -9.170 7.530 1.00 0.00 C ATOM 1317 C THR A 91 7.039 -10.303 6.702 1.00 0.00 C ATOM 1318 O THR A 91 6.559 -10.611 5.632 1.00 0.00 O ATOM 1319 CB THR A 91 5.320 -9.763 8.413 1.00 0.00 C ATOM 1320 OG1 THR A 91 4.712 -10.856 7.743 1.00 0.00 O ATOM 1321 CG2 THR A 91 4.268 -8.702 8.706 1.00 0.00 C ATOM 0 H THR A 91 5.424 -8.540 5.754 1.00 0.00 H new ATOM 0 HA THR A 91 7.178 -8.694 8.156 1.00 0.00 H new ATOM 0 HB THR A 91 5.757 -10.106 9.351 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.767 -10.911 7.998 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.486 -9.129 9.334 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.732 -7.863 9.224 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.832 -8.354 7.770 1.00 0.00 H new ATOM 1329 N PRO A 92 8.078 -10.939 7.191 1.00 0.00 N ATOM 1330 CA PRO A 92 8.717 -12.065 6.459 1.00 0.00 C ATOM 1331 C PRO A 92 7.701 -13.177 6.182 1.00 0.00 C ATOM 1332 O PRO A 92 7.650 -13.736 5.108 1.00 0.00 O ATOM 1333 CB PRO A 92 9.845 -12.547 7.394 1.00 0.00 C ATOM 1334 CG PRO A 92 9.567 -11.927 8.735 1.00 0.00 C ATOM 1335 CD PRO A 92 8.751 -10.666 8.471 1.00 0.00 C ATOM 0 HA PRO A 92 9.101 -11.766 5.484 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.857 -13.635 7.462 1.00 0.00 H new ATOM 0 HB3 PRO A 92 10.821 -12.241 7.018 1.00 0.00 H new ATOM 0 HG2 PRO A 92 9.017 -12.617 9.375 1.00 0.00 H new ATOM 0 HG3 PRO A 92 10.497 -11.686 9.251 1.00 0.00 H new ATOM 0 HD2 PRO A 92 8.032 -10.482 9.269 1.00 0.00 H new ATOM 0 HD3 PRO A 92 9.388 -9.784 8.407 1.00 0.00 H new ATOM 1343 N GLU A 93 6.898 -13.504 7.154 1.00 0.00 N ATOM 1344 CA GLU A 93 5.899 -14.583 6.941 1.00 0.00 C ATOM 1345 C GLU A 93 4.970 -14.189 5.800 1.00 0.00 C ATOM 1346 O GLU A 93 4.533 -15.022 5.025 1.00 0.00 O ATOM 1347 CB GLU A 93 5.086 -14.802 8.223 1.00 0.00 C ATOM 1348 CG GLU A 93 4.522 -13.469 8.710 1.00 0.00 C ATOM 1349 CD GLU A 93 3.713 -13.697 9.992 1.00 0.00 C ATOM 1350 OE1 GLU A 93 2.530 -13.965 9.874 1.00 0.00 O ATOM 1351 OE2 GLU A 93 4.293 -13.601 11.059 1.00 0.00 O ATOM 0 H GLU A 93 6.890 -13.074 8.079 1.00 0.00 H new ATOM 0 HA GLU A 93 6.414 -15.510 6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.274 -15.504 8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.717 -15.244 8.994 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.333 -12.766 8.899 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.889 -13.027 7.941 1.00 0.00 H new ATOM 1358 N LEU A 94 4.653 -12.924 5.683 1.00 0.00 N ATOM 1359 CA LEU A 94 3.735 -12.480 4.586 1.00 0.00 C ATOM 1360 C LEU A 94 4.541 -12.101 3.337 1.00 0.00 C ATOM 1361 O LEU A 94 4.058 -11.419 2.461 1.00 0.00 O ATOM 1362 CB LEU A 94 2.887 -11.278 5.072 1.00 0.00 C ATOM 1363 CG LEU A 94 1.587 -11.783 5.727 1.00 0.00 C ATOM 1364 CD1 LEU A 94 0.943 -10.661 6.545 1.00 0.00 C ATOM 1365 CD2 LEU A 94 0.586 -12.255 4.652 1.00 0.00 C ATOM 0 H LEU A 94 4.988 -12.181 6.296 1.00 0.00 H new ATOM 0 HA LEU A 94 3.067 -13.301 4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.458 -10.685 5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.651 -10.625 4.232 1.00 0.00 H new ATOM 0 HG LEU A 94 1.837 -12.620 6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.025 -11.027 7.004 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.633 -10.336 7.323 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.712 -9.820 5.891 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.326 -12.608 5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.347 -11.425 3.988 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.028 -13.066 4.074 1.00 0.00 H new ATOM 1377 N ASP A 95 5.765 -12.523 3.250 1.00 0.00 N ATOM 1378 CA ASP A 95 6.575 -12.177 2.049 1.00 0.00 C ATOM 1379 C ASP A 95 5.819 -12.608 0.783 1.00 0.00 C ATOM 1380 O ASP A 95 5.214 -13.660 0.739 1.00 0.00 O ATOM 1381 CB ASP A 95 7.911 -12.917 2.128 1.00 0.00 C ATOM 1382 CG ASP A 95 7.657 -14.426 2.163 1.00 0.00 C ATOM 1383 OD1 ASP A 95 6.681 -14.827 2.774 1.00 0.00 O ATOM 1384 OD2 ASP A 95 8.442 -15.154 1.578 1.00 0.00 O ATOM 0 H ASP A 95 6.241 -13.090 3.952 1.00 0.00 H new ATOM 0 HA ASP A 95 6.750 -11.102 2.012 1.00 0.00 H new ATOM 0 HB2 ASP A 95 8.532 -12.662 1.269 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.458 -12.609 3.019 1.00 0.00 H new ATOM 1389 N GLY A 96 5.870 -11.809 -0.250 1.00 0.00 N ATOM 1390 CA GLY A 96 5.185 -12.158 -1.543 1.00 0.00 C ATOM 1391 C GLY A 96 3.939 -11.284 -1.737 1.00 0.00 C ATOM 1392 O GLY A 96 3.205 -11.444 -2.695 1.00 0.00 O ATOM 0 H GLY A 96 6.362 -10.916 -0.259 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.872 -12.014 -2.377 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.903 -13.211 -1.540 1.00 0.00 H new ATOM 1396 N ILE A 97 3.654 -10.421 -0.806 1.00 0.00 N ATOM 1397 CA ILE A 97 2.397 -9.597 -0.904 1.00 0.00 C ATOM 1398 C ILE A 97 2.281 -8.856 -2.239 1.00 0.00 C ATOM 1399 O ILE A 97 3.219 -8.258 -2.722 1.00 0.00 O ATOM 1400 CB ILE A 97 2.331 -8.598 0.253 1.00 0.00 C ATOM 1401 CG1 ILE A 97 1.031 -7.797 0.167 1.00 0.00 C ATOM 1402 CG2 ILE A 97 3.521 -7.631 0.211 1.00 0.00 C ATOM 1403 CD1 ILE A 97 0.847 -6.985 1.449 1.00 0.00 C ATOM 0 H ILE A 97 4.227 -10.243 0.019 1.00 0.00 H new ATOM 0 HA ILE A 97 1.557 -10.289 -0.845 1.00 0.00 H new ATOM 0 HB ILE A 97 2.366 -9.156 1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.057 -7.132 -0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.185 -8.470 0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.451 -6.931 1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.451 -8.195 0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.508 -7.079 -0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.079 -6.414 1.388 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.802 -7.660 2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.687 -6.301 1.570 1.00 0.00 H new ATOM 1415 N VAL A 98 1.113 -8.908 -2.845 1.00 0.00 N ATOM 1416 CA VAL A 98 0.902 -8.215 -4.163 1.00 0.00 C ATOM 1417 C VAL A 98 0.047 -6.963 -3.944 1.00 0.00 C ATOM 1418 O VAL A 98 -1.064 -7.041 -3.454 1.00 0.00 O ATOM 1419 CB VAL A 98 0.176 -9.164 -5.120 1.00 0.00 C ATOM 1420 CG1 VAL A 98 0.273 -8.633 -6.545 1.00 0.00 C ATOM 1421 CG2 VAL A 98 0.822 -10.551 -5.041 1.00 0.00 C ATOM 0 H VAL A 98 0.296 -9.401 -2.483 1.00 0.00 H new ATOM 0 HA VAL A 98 1.865 -7.931 -4.588 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.874 -9.233 -4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -0.245 -9.312 -7.222 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.187 -7.646 -6.598 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.321 -8.560 -6.836 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.308 -11.231 -5.721 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.872 -10.480 -5.324 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.745 -10.931 -4.022 1.00 0.00 H new ATOM 1431 N VAL A 99 0.563 -5.805 -4.273 1.00 0.00 N ATOM 1432 CA VAL A 99 -0.197 -4.532 -4.076 1.00 0.00 C ATOM 1433 C VAL A 99 -0.625 -3.959 -5.428 1.00 0.00 C ATOM 1434 O VAL A 99 0.173 -3.801 -6.332 1.00 0.00 O ATOM 1435 CB VAL A 99 0.720 -3.509 -3.395 1.00 0.00 C ATOM 1436 CG1 VAL A 99 -0.128 -2.415 -2.738 1.00 0.00 C ATOM 1437 CG2 VAL A 99 1.581 -4.195 -2.332 1.00 0.00 C ATOM 0 H VAL A 99 1.493 -5.686 -4.676 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.078 -4.735 -3.467 1.00 0.00 H new ATOM 0 HB VAL A 99 1.372 -3.065 -4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.526 -1.689 -2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.728 -1.914 -3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.786 -2.863 -1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.228 -3.458 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.937 -4.651 -1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.193 -4.965 -2.801 1.00 0.00 H new ATOM 1447 N ASP A 100 -1.879 -3.659 -5.561 1.00 0.00 N ATOM 1448 CA ASP A 100 -2.405 -3.102 -6.851 1.00 0.00 C ATOM 1449 C ASP A 100 -2.654 -1.596 -6.694 1.00 0.00 C ATOM 1450 O ASP A 100 -3.402 -1.153 -5.848 1.00 0.00 O ATOM 1451 CB ASP A 100 -3.700 -3.856 -7.215 1.00 0.00 C ATOM 1452 CG ASP A 100 -3.401 -4.974 -8.222 1.00 0.00 C ATOM 1453 OD1 ASP A 100 -2.970 -6.031 -7.794 1.00 0.00 O ATOM 1454 OD2 ASP A 100 -3.609 -4.751 -9.401 1.00 0.00 O ATOM 0 H ASP A 100 -2.579 -3.774 -4.828 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.683 -3.236 -7.656 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.148 -4.278 -6.315 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.426 -3.162 -7.637 1.00 0.00 H new ATOM 1459 N VAL A 101 -2.005 -0.812 -7.523 1.00 0.00 N ATOM 1460 CA VAL A 101 -2.151 0.675 -7.468 1.00 0.00 C ATOM 1461 C VAL A 101 -2.976 1.156 -8.678 1.00 0.00 C ATOM 1462 O VAL A 101 -2.704 0.765 -9.800 1.00 0.00 O ATOM 1463 CB VAL A 101 -0.759 1.304 -7.526 1.00 0.00 C ATOM 1464 CG1 VAL A 101 -0.844 2.781 -7.140 1.00 0.00 C ATOM 1465 CG2 VAL A 101 0.170 0.570 -6.560 1.00 0.00 C ATOM 0 H VAL A 101 -1.370 -1.148 -8.247 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.658 0.965 -6.547 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.366 1.223 -8.539 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.150 3.226 -7.182 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.504 3.301 -7.834 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.239 2.870 -6.128 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.163 1.017 -6.600 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.223 0.649 -5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.233 -0.481 -6.844 1.00 0.00 H new ATOM 1475 N PRO A 102 -3.976 1.989 -8.478 1.00 0.00 N ATOM 1476 CA PRO A 102 -4.833 2.503 -9.594 1.00 0.00 C ATOM 1477 C PRO A 102 -4.227 3.692 -10.356 1.00 0.00 C ATOM 1478 O PRO A 102 -3.103 4.098 -10.131 1.00 0.00 O ATOM 1479 CB PRO A 102 -6.093 2.965 -8.868 1.00 0.00 C ATOM 1480 CG PRO A 102 -5.590 3.452 -7.549 1.00 0.00 C ATOM 1481 CD PRO A 102 -4.424 2.534 -7.184 1.00 0.00 C ATOM 0 HA PRO A 102 -4.980 1.735 -10.353 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.603 3.756 -9.418 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.806 2.150 -8.747 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.265 4.490 -7.614 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.373 3.410 -6.792 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.626 3.083 -6.685 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -4.738 1.741 -6.505 1.00 0.00 H new ATOM 1489 N ASP A 103 -5.012 4.255 -11.236 1.00 0.00 N ATOM 1490 CA ASP A 103 -4.566 5.437 -12.018 1.00 0.00 C ATOM 1491 C ASP A 103 -4.885 6.698 -11.215 1.00 0.00 C ATOM 1492 O ASP A 103 -4.368 7.766 -11.474 1.00 0.00 O ATOM 1493 CB ASP A 103 -5.324 5.480 -13.347 1.00 0.00 C ATOM 1494 CG ASP A 103 -5.139 4.153 -14.084 1.00 0.00 C ATOM 1495 OD1 ASP A 103 -5.681 3.162 -13.617 1.00 0.00 O ATOM 1496 OD2 ASP A 103 -4.456 4.148 -15.089 1.00 0.00 O ATOM 0 H ASP A 103 -5.958 3.938 -11.447 1.00 0.00 H new ATOM 0 HA ASP A 103 -3.495 5.376 -12.213 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.383 5.664 -13.168 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -4.957 6.303 -13.960 1.00 0.00 H new ATOM 1501 N ARG A 104 -5.741 6.567 -10.226 1.00 0.00 N ATOM 1502 CA ARG A 104 -6.120 7.731 -9.369 1.00 0.00 C ATOM 1503 C ARG A 104 -5.854 7.327 -7.929 1.00 0.00 C ATOM 1504 O ARG A 104 -6.503 6.440 -7.426 1.00 0.00 O ATOM 1505 CB ARG A 104 -7.632 8.063 -9.522 1.00 0.00 C ATOM 1506 CG ARG A 104 -8.162 7.744 -10.954 1.00 0.00 C ATOM 1507 CD ARG A 104 -8.851 8.972 -11.558 1.00 0.00 C ATOM 1508 NE ARG A 104 -7.790 9.898 -12.030 1.00 0.00 N ATOM 1509 CZ ARG A 104 -8.097 10.983 -12.689 1.00 0.00 C ATOM 1510 NH1 ARG A 104 -9.351 11.303 -12.870 1.00 0.00 N ATOM 1511 NH2 ARG A 104 -7.147 11.748 -13.161 1.00 0.00 N ATOM 0 H ARG A 104 -6.197 5.690 -9.976 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.546 8.610 -9.661 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.204 7.493 -8.789 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -7.795 9.118 -9.303 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.336 7.433 -11.593 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.863 6.911 -10.911 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.499 8.679 -12.384 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.482 9.460 -10.816 1.00 0.00 H new ATOM 0 HE ARG A 104 -6.811 9.684 -11.837 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.089 10.706 -12.497 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -9.592 12.150 -13.384 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -6.169 11.497 -13.014 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -7.384 12.596 -13.676 1.00 0.00 H new ATOM 1525 N GLN A 105 -4.930 7.957 -7.260 1.00 0.00 N ATOM 1526 CA GLN A 105 -4.651 7.586 -5.839 1.00 0.00 C ATOM 1527 C GLN A 105 -5.111 8.736 -4.934 1.00 0.00 C ATOM 1528 O GLN A 105 -5.119 8.635 -3.722 1.00 0.00 O ATOM 1529 CB GLN A 105 -3.141 7.385 -5.669 1.00 0.00 C ATOM 1530 CG GLN A 105 -2.417 8.709 -5.938 1.00 0.00 C ATOM 1531 CD GLN A 105 -0.929 8.445 -6.173 1.00 0.00 C ATOM 1532 OE1 GLN A 105 -0.096 8.834 -5.384 1.00 0.00 O ATOM 1533 NE2 GLN A 105 -0.556 7.800 -7.246 1.00 0.00 N ATOM 0 H GLN A 105 -4.355 8.712 -7.632 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.178 6.669 -5.575 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.921 7.036 -4.660 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.786 6.617 -6.356 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.851 9.201 -6.808 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.547 9.384 -5.092 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -1.255 7.471 -7.912 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.434 7.625 -7.418 1.00 0.00 H new ATOM 1542 N TRP A 106 -5.488 9.835 -5.535 1.00 0.00 N ATOM 1543 CA TRP A 106 -5.948 11.012 -4.738 1.00 0.00 C ATOM 1544 C TRP A 106 -7.199 10.631 -3.947 1.00 0.00 C ATOM 1545 O TRP A 106 -7.652 9.509 -4.100 1.00 0.00 O ATOM 1546 CB TRP A 106 -6.268 12.180 -5.684 1.00 0.00 C ATOM 1547 CG TRP A 106 -6.476 13.429 -4.877 1.00 0.00 C ATOM 1548 CD1 TRP A 106 -7.680 13.946 -4.528 1.00 0.00 C ATOM 1549 CD2 TRP A 106 -5.471 14.328 -4.335 1.00 0.00 C ATOM 1550 NE1 TRP A 106 -7.468 15.101 -3.790 1.00 0.00 N ATOM 1551 CE2 TRP A 106 -6.125 15.377 -3.646 1.00 0.00 C ATOM 1552 CE3 TRP A 106 -4.068 14.333 -4.366 1.00 0.00 C ATOM 1553 CZ2 TRP A 106 -5.412 16.396 -3.013 1.00 0.00 C ATOM 1554 CZ3 TRP A 106 -3.344 15.358 -3.729 1.00 0.00 C ATOM 1555 CH2 TRP A 106 -4.017 16.386 -3.060 1.00 0.00 C ATOM 1556 OXT TRP A 106 -7.682 11.467 -3.203 1.00 0.00 O ATOM 0 H TRP A 106 -5.497 9.968 -6.546 1.00 0.00 H new ATOM 0 HA TRP A 106 -5.161 11.315 -4.047 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -5.452 12.323 -6.393 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -7.162 11.957 -6.267 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -8.643 13.528 -4.782 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -8.215 15.676 -3.401 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -3.540 13.545 -4.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -5.934 17.185 -2.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -2.264 15.351 -3.757 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -3.456 17.174 -2.579 1.00 0.00 H new TER 1567 TRP A 106 HETATM 1568 FE1 FES A 107 -1.201 9.872 3.787 1.00 0.00 FE HETATM 1569 FE2 FES A 107 -1.391 7.189 3.822 1.00 0.00 FE HETATM 1570 S1 FES A 107 -2.693 8.636 4.834 1.00 0.00 S HETATM 1571 S2 FES A 107 0.143 8.412 2.832 1.00 0.00 S