USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 770 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 1 SER OG : rot -73:sc= -5.19! USER MOD Set 1.2: A 90 MET CE :methyl 173:sc= -6.91! (180deg=-7.14!) USER MOD Set 2.1: A 24 MET CE :methyl 151:sc= -17.8! (180deg=-22.1!) USER MOD Set 2.2: A 85 SER OG : rot -47:sc= -6.11! USER MOD Set 3.1: A 49 HIS : no HE2:sc= -27! C(o=-27!,f=-38!) USER MOD Set 3.2: A 51 TYR OH : rot -163:sc= 0.454 USER MOD Set 4.1: A 22 SER OG : rot 180:sc=8.33e-05 USER MOD Set 4.2: A 25 GLN : amide:sc= -25.1! C(o=-25!,f=-27!) USER MOD Single : A 1 SER N :NH3+ -131:sc= -0.0655! (180deg=-1.46!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -133:sc= -7.74! USER MOD Single : A 7 SER OG : rot 165:sc= 0.875! USER MOD Single : A 8 HIS : no HE2:sc= -0.0969 K(o=-0.097,f=-1.4) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 151:sc= -1.77! USER MOD Single : A 30 ASN : amide:sc= -5.92! C(o=-5.9!,f=-6.1!) USER MOD Single : A 33 TYR OH : rot -24:sc= -3.49! USER MOD Single : A 42 SER OG : rot 86:sc= 0.0174 USER MOD Single : A 44 SER OG : rot -63:sc= 1.04 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -15.4! C(o=-15!,f=-29!) USER MOD Single : A 57 THR OG1 : rot 90:sc= -0.735 USER MOD Single : A 59 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.0314) USER MOD Single : A 64 ASN : amide:sc= -0.834! C(o=-0.83!,f=-16!) USER MOD Single : A 70 MET CE :methyl -122:sc= -18.5! (180deg=-29.9!) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -4.51! C(o=-4.5!,f=-10!) USER MOD Single : A 82 SER OG : rot -68:sc= -6.06! USER MOD Single : A 87 GLN : amide:sc= -11.7! C(o=-12!,f=-8.9!) USER MOD Single : A 91 THR OG1 : rot -146:sc= -1.88! USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.688 -10.584 -8.637 1.00 0.00 N ATOM 2 CA SER A 1 2.964 -9.343 -9.415 1.00 0.00 C ATOM 3 C SER A 1 4.285 -8.718 -8.973 1.00 0.00 C ATOM 4 O SER A 1 4.789 -8.990 -7.901 1.00 0.00 O ATOM 5 CB SER A 1 1.816 -8.386 -9.073 1.00 0.00 C ATOM 6 OG SER A 1 2.357 -7.127 -8.684 1.00 0.00 O ATOM 0 H1 SER A 1 2.433 -11.353 -9.289 1.00 0.00 H new ATOM 0 H2 SER A 1 3.537 -10.853 -8.099 1.00 0.00 H new ATOM 0 H3 SER A 1 1.901 -10.413 -7.979 1.00 0.00 H new ATOM 0 HA SER A 1 3.035 -9.550 -10.483 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.160 -8.263 -9.935 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.210 -8.799 -8.267 1.00 0.00 H new ATOM 0 HG SER A 1 2.755 -7.203 -7.792 1.00 0.00 H new ATOM 14 N LYS A 2 4.820 -7.840 -9.771 1.00 0.00 N ATOM 15 CA LYS A 2 6.071 -7.148 -9.377 1.00 0.00 C ATOM 16 C LYS A 2 5.678 -5.983 -8.474 1.00 0.00 C ATOM 17 O LYS A 2 5.072 -5.028 -8.918 1.00 0.00 O ATOM 18 CB LYS A 2 6.678 -6.639 -10.682 1.00 0.00 C ATOM 19 CG LYS A 2 7.831 -7.552 -11.102 1.00 0.00 C ATOM 20 CD LYS A 2 9.123 -6.737 -11.193 1.00 0.00 C ATOM 21 CE LYS A 2 10.320 -7.637 -10.881 1.00 0.00 C ATOM 22 NZ LYS A 2 11.514 -6.766 -11.060 1.00 0.00 N ATOM 0 H LYS A 2 4.443 -7.573 -10.680 1.00 0.00 H new ATOM 0 HA LYS A 2 6.779 -7.783 -8.845 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.918 -6.614 -11.463 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.037 -5.618 -10.554 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.949 -8.361 -10.381 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.611 -8.013 -12.065 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.226 -6.310 -12.191 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.089 -5.903 -10.492 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.266 -8.028 -9.865 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.354 -8.496 -11.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.376 -7.314 -10.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.543 -6.414 -12.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.458 -5.961 -10.404 1.00 0.00 H new ATOM 36 N VAL A 3 5.973 -6.058 -7.211 1.00 0.00 N ATOM 37 CA VAL A 3 5.557 -4.956 -6.308 1.00 0.00 C ATOM 38 C VAL A 3 6.770 -4.152 -5.846 1.00 0.00 C ATOM 39 O VAL A 3 7.785 -4.699 -5.469 1.00 0.00 O ATOM 40 CB VAL A 3 4.873 -5.675 -5.143 1.00 0.00 C ATOM 41 CG1 VAL A 3 4.988 -4.844 -3.873 1.00 0.00 C ATOM 42 CG2 VAL A 3 3.397 -5.874 -5.477 1.00 0.00 C ATOM 0 H VAL A 3 6.478 -6.825 -6.768 1.00 0.00 H new ATOM 0 HA VAL A 3 4.896 -4.234 -6.788 1.00 0.00 H new ATOM 0 HB VAL A 3 5.357 -6.639 -4.984 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.498 -5.366 -3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.040 -4.693 -3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.509 -3.877 -4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.903 -6.386 -4.651 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.926 -4.904 -5.636 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.307 -6.474 -6.382 1.00 0.00 H new ATOM 52 N VAL A 4 6.669 -2.851 -5.882 1.00 0.00 N ATOM 53 CA VAL A 4 7.825 -2.012 -5.454 1.00 0.00 C ATOM 54 C VAL A 4 7.441 -1.044 -4.353 1.00 0.00 C ATOM 55 O VAL A 4 6.755 -0.063 -4.562 1.00 0.00 O ATOM 56 CB VAL A 4 8.261 -1.266 -6.695 1.00 0.00 C ATOM 57 CG1 VAL A 4 9.382 -0.287 -6.344 1.00 0.00 C ATOM 58 CG2 VAL A 4 8.753 -2.261 -7.749 1.00 0.00 C ATOM 0 H VAL A 4 5.843 -2.336 -6.187 1.00 0.00 H new ATOM 0 HA VAL A 4 8.625 -2.627 -5.042 1.00 0.00 H new ATOM 0 HB VAL A 4 7.413 -0.709 -7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.692 0.248 -7.242 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.023 0.427 -5.602 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.231 -0.837 -5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.066 -1.720 -8.642 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.597 -2.825 -7.351 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.946 -2.948 -8.005 1.00 0.00 H new ATOM 68 N TYR A 5 7.905 -1.330 -3.180 1.00 0.00 N ATOM 69 CA TYR A 5 7.607 -0.473 -2.012 1.00 0.00 C ATOM 70 C TYR A 5 8.551 0.704 -1.936 1.00 0.00 C ATOM 71 O TYR A 5 9.749 0.556 -1.988 1.00 0.00 O ATOM 72 CB TYR A 5 7.847 -1.383 -0.819 1.00 0.00 C ATOM 73 CG TYR A 5 6.876 -2.527 -0.846 1.00 0.00 C ATOM 74 CD1 TYR A 5 5.698 -2.413 -1.572 1.00 0.00 C ATOM 75 CD2 TYR A 5 7.122 -3.670 -0.094 1.00 0.00 C ATOM 76 CE1 TYR A 5 4.758 -3.441 -1.557 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.186 -4.695 -0.060 1.00 0.00 C ATOM 78 CZ TYR A 5 4.995 -4.586 -0.791 1.00 0.00 C ATOM 79 OH TYR A 5 4.058 -5.596 -0.757 1.00 0.00 O ATOM 0 H TYR A 5 8.491 -2.139 -2.976 1.00 0.00 H new ATOM 0 HA TYR A 5 6.598 -0.064 -2.059 1.00 0.00 H new ATOM 0 HB2 TYR A 5 8.869 -1.761 -0.839 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.734 -0.820 0.107 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.509 -1.522 -2.152 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.042 -3.761 0.464 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.850 -3.354 -2.135 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.376 -5.579 0.531 1.00 0.00 H new ATOM 0 HH TYR A 5 3.907 -5.871 0.171 1.00 0.00 H new ATOM 89 N VAL A 6 8.015 1.868 -1.780 1.00 0.00 N ATOM 90 CA VAL A 6 8.906 3.066 -1.659 1.00 0.00 C ATOM 91 C VAL A 6 8.679 3.763 -0.326 1.00 0.00 C ATOM 92 O VAL A 6 7.563 3.998 0.070 1.00 0.00 O ATOM 93 CB VAL A 6 8.529 4.007 -2.796 1.00 0.00 C ATOM 94 CG1 VAL A 6 9.655 5.033 -2.997 1.00 0.00 C ATOM 95 CG2 VAL A 6 8.335 3.198 -4.070 1.00 0.00 C ATOM 0 H VAL A 6 7.013 2.055 -1.730 1.00 0.00 H new ATOM 0 HA VAL A 6 9.955 2.774 -1.711 1.00 0.00 H new ATOM 0 HB VAL A 6 7.603 4.530 -2.555 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.390 5.709 -3.810 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.794 5.605 -2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.581 4.513 -3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.065 3.866 -4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.261 2.679 -4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.539 2.468 -3.920 1.00 0.00 H new ATOM 105 N SER A 7 9.721 4.118 0.361 1.00 0.00 N ATOM 106 CA SER A 7 9.532 4.825 1.649 1.00 0.00 C ATOM 107 C SER A 7 9.235 6.292 1.357 1.00 0.00 C ATOM 108 O SER A 7 8.985 6.669 0.229 1.00 0.00 O ATOM 109 CB SER A 7 10.861 4.673 2.388 1.00 0.00 C ATOM 110 OG SER A 7 11.393 5.959 2.681 1.00 0.00 O ATOM 0 H SER A 7 10.690 3.951 0.089 1.00 0.00 H new ATOM 0 HA SER A 7 8.708 4.429 2.242 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.714 4.110 3.310 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.565 4.107 1.778 1.00 0.00 H new ATOM 0 HG SER A 7 12.104 5.874 3.350 1.00 0.00 H new ATOM 116 N HIS A 8 9.287 7.124 2.345 1.00 0.00 N ATOM 117 CA HIS A 8 9.034 8.571 2.090 1.00 0.00 C ATOM 118 C HIS A 8 10.374 9.293 1.956 1.00 0.00 C ATOM 119 O HIS A 8 10.442 10.435 1.546 1.00 0.00 O ATOM 120 CB HIS A 8 8.219 9.101 3.280 1.00 0.00 C ATOM 121 CG HIS A 8 8.651 8.455 4.557 1.00 0.00 C ATOM 122 ND1 HIS A 8 7.800 7.644 5.267 1.00 0.00 N ATOM 123 CD2 HIS A 8 9.822 8.495 5.267 1.00 0.00 C ATOM 124 CE1 HIS A 8 8.458 7.219 6.362 1.00 0.00 C ATOM 125 NE2 HIS A 8 9.700 7.711 6.412 1.00 0.00 N ATOM 0 H HIS A 8 9.491 6.876 3.313 1.00 0.00 H new ATOM 0 HA HIS A 8 8.478 8.736 1.167 1.00 0.00 H new ATOM 0 HB2 HIS A 8 8.341 10.182 3.356 1.00 0.00 H new ATOM 0 HB3 HIS A 8 7.159 8.911 3.113 1.00 0.00 H new ATOM 0 HD1 HIS A 8 6.842 7.406 5.011 1.00 0.00 H new ATOM 0 HD2 HIS A 8 10.704 9.049 4.983 1.00 0.00 H new ATOM 0 HE1 HIS A 8 8.035 6.562 7.108 1.00 0.00 H new ATOM 133 N ASP A 9 11.449 8.618 2.275 1.00 0.00 N ATOM 134 CA ASP A 9 12.793 9.241 2.141 1.00 0.00 C ATOM 135 C ASP A 9 13.461 8.753 0.850 1.00 0.00 C ATOM 136 O ASP A 9 14.512 9.227 0.466 1.00 0.00 O ATOM 137 CB ASP A 9 13.578 8.786 3.375 1.00 0.00 C ATOM 138 CG ASP A 9 14.045 7.340 3.190 1.00 0.00 C ATOM 139 OD1 ASP A 9 15.008 7.138 2.469 1.00 0.00 O ATOM 140 OD2 ASP A 9 13.431 6.461 3.771 1.00 0.00 O ATOM 0 H ASP A 9 11.450 7.659 2.623 1.00 0.00 H new ATOM 0 HA ASP A 9 12.746 10.329 2.084 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.437 9.438 3.531 1.00 0.00 H new ATOM 0 HB3 ASP A 9 12.953 8.865 4.264 1.00 0.00 H new ATOM 145 N GLY A 10 12.851 7.814 0.174 1.00 0.00 N ATOM 146 CA GLY A 10 13.442 7.304 -1.095 1.00 0.00 C ATOM 147 C GLY A 10 13.954 5.870 -0.912 1.00 0.00 C ATOM 148 O GLY A 10 14.748 5.387 -1.696 1.00 0.00 O ATOM 0 H GLY A 10 11.970 7.380 0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.694 7.331 -1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.261 7.952 -1.407 1.00 0.00 H new ATOM 152 N THR A 11 13.494 5.171 0.092 1.00 0.00 N ATOM 153 CA THR A 11 13.946 3.773 0.282 1.00 0.00 C ATOM 154 C THR A 11 13.022 2.871 -0.530 1.00 0.00 C ATOM 155 O THR A 11 11.889 3.217 -0.806 1.00 0.00 O ATOM 156 CB THR A 11 13.851 3.518 1.802 1.00 0.00 C ATOM 157 OG1 THR A 11 15.156 3.273 2.307 1.00 0.00 O ATOM 158 CG2 THR A 11 12.960 2.306 2.118 1.00 0.00 C ATOM 0 H THR A 11 12.827 5.512 0.784 1.00 0.00 H new ATOM 0 HA THR A 11 14.963 3.577 -0.057 1.00 0.00 H new ATOM 0 HB THR A 11 13.408 4.397 2.270 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.108 3.111 3.272 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.917 2.157 3.197 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.955 2.484 1.736 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.375 1.416 1.646 1.00 0.00 H new ATOM 166 N ARG A 12 13.491 1.740 -0.937 1.00 0.00 N ATOM 167 CA ARG A 12 12.623 0.851 -1.758 1.00 0.00 C ATOM 168 C ARG A 12 12.595 -0.590 -1.223 1.00 0.00 C ATOM 169 O ARG A 12 13.603 -1.145 -0.835 1.00 0.00 O ATOM 170 CB ARG A 12 13.243 0.884 -3.155 1.00 0.00 C ATOM 171 CG ARG A 12 12.459 1.858 -4.038 1.00 0.00 C ATOM 172 CD ARG A 12 13.022 1.826 -5.461 1.00 0.00 C ATOM 173 NE ARG A 12 14.268 2.638 -5.398 1.00 0.00 N ATOM 174 CZ ARG A 12 15.192 2.488 -6.308 1.00 0.00 C ATOM 175 NH1 ARG A 12 15.020 2.988 -7.501 1.00 0.00 N ATOM 176 NH2 ARG A 12 16.287 1.836 -6.025 1.00 0.00 N ATOM 0 H ARG A 12 14.428 1.387 -0.744 1.00 0.00 H new ATOM 0 HA ARG A 12 11.588 1.191 -1.743 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.287 1.191 -3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.229 -0.113 -3.594 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.403 1.587 -4.047 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.526 2.867 -3.632 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.231 0.805 -5.780 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.313 2.244 -6.176 1.00 0.00 H new ATOM 0 HE ARG A 12 14.400 3.312 -4.644 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.164 3.496 -7.722 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.742 2.871 -8.212 1.00 0.00 H new ATOM 0 HH21 ARG A 12 16.421 1.444 -5.093 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.009 1.719 -6.736 1.00 0.00 H new ATOM 190 N ARG A 13 11.436 -1.200 -1.231 1.00 0.00 N ATOM 191 CA ARG A 13 11.303 -2.614 -0.760 1.00 0.00 C ATOM 192 C ARG A 13 10.331 -3.356 -1.680 1.00 0.00 C ATOM 193 O ARG A 13 9.247 -3.712 -1.299 1.00 0.00 O ATOM 194 CB ARG A 13 10.719 -2.523 0.644 1.00 0.00 C ATOM 195 CG ARG A 13 11.242 -3.683 1.494 1.00 0.00 C ATOM 196 CD ARG A 13 11.746 -3.149 2.837 1.00 0.00 C ATOM 197 NE ARG A 13 12.028 -4.362 3.652 1.00 0.00 N ATOM 198 CZ ARG A 13 13.145 -4.453 4.320 1.00 0.00 C ATOM 199 NH1 ARG A 13 14.260 -4.714 3.695 1.00 0.00 N ATOM 200 NH2 ARG A 13 13.147 -4.284 5.615 1.00 0.00 N ATOM 0 H ARG A 13 10.565 -0.773 -1.548 1.00 0.00 H new ATOM 0 HA ARG A 13 12.254 -3.146 -0.766 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.992 -1.572 1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.630 -2.554 0.599 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.450 -4.414 1.656 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.048 -4.197 0.970 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.642 -2.542 2.709 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.999 -2.517 3.316 1.00 0.00 H new ATOM 0 HE ARG A 13 11.348 -5.122 3.688 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.259 -4.847 2.684 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.133 -4.785 4.218 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.275 -4.081 6.104 1.00 0.00 H new ATOM 0 HH22 ARG A 13 14.020 -4.355 6.137 1.00 0.00 H new ATOM 214 N GLU A 14 10.706 -3.570 -2.894 1.00 0.00 N ATOM 215 CA GLU A 14 9.785 -4.253 -3.851 1.00 0.00 C ATOM 216 C GLU A 14 9.574 -5.713 -3.456 1.00 0.00 C ATOM 217 O GLU A 14 10.488 -6.396 -3.036 1.00 0.00 O ATOM 218 CB GLU A 14 10.487 -4.173 -5.212 1.00 0.00 C ATOM 219 CG GLU A 14 11.087 -2.779 -5.419 1.00 0.00 C ATOM 220 CD GLU A 14 11.421 -2.585 -6.900 1.00 0.00 C ATOM 221 OE1 GLU A 14 11.039 -3.434 -7.688 1.00 0.00 O ATOM 222 OE2 GLU A 14 12.056 -1.593 -7.218 1.00 0.00 O ATOM 0 H GLU A 14 11.613 -3.305 -3.278 1.00 0.00 H new ATOM 0 HA GLU A 14 8.801 -3.784 -3.863 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.272 -4.927 -5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.776 -4.393 -6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.382 -2.015 -5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.986 -2.664 -4.814 1.00 0.00 H new ATOM 229 N LEU A 15 8.364 -6.191 -3.586 1.00 0.00 N ATOM 230 CA LEU A 15 8.077 -7.602 -3.218 1.00 0.00 C ATOM 231 C LEU A 15 7.768 -8.432 -4.460 1.00 0.00 C ATOM 232 O LEU A 15 7.152 -7.965 -5.396 1.00 0.00 O ATOM 233 CB LEU A 15 6.813 -7.557 -2.345 1.00 0.00 C ATOM 234 CG LEU A 15 7.153 -7.454 -0.854 1.00 0.00 C ATOM 235 CD1 LEU A 15 5.894 -7.683 -0.031 1.00 0.00 C ATOM 236 CD2 LEU A 15 8.109 -8.543 -0.426 1.00 0.00 C ATOM 0 H LEU A 15 7.564 -5.662 -3.932 1.00 0.00 H new ATOM 0 HA LEU A 15 8.932 -8.049 -2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.200 -6.705 -2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.218 -8.453 -2.521 1.00 0.00 H new ATOM 0 HG LEU A 15 7.591 -6.468 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.134 -7.610 1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.150 -6.929 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.495 -8.674 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.327 -8.438 0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.656 -9.517 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.034 -8.460 -0.996 1.00 0.00 H new ATOM 248 N ASP A 16 8.133 -9.677 -4.440 1.00 0.00 N ATOM 249 CA ASP A 16 7.797 -10.562 -5.582 1.00 0.00 C ATOM 250 C ASP A 16 6.567 -11.354 -5.152 1.00 0.00 C ATOM 251 O ASP A 16 6.666 -12.420 -4.577 1.00 0.00 O ATOM 252 CB ASP A 16 9.009 -11.475 -5.772 1.00 0.00 C ATOM 253 CG ASP A 16 10.249 -10.626 -6.055 1.00 0.00 C ATOM 254 OD1 ASP A 16 10.157 -9.736 -6.884 1.00 0.00 O ATOM 255 OD2 ASP A 16 11.270 -10.879 -5.437 1.00 0.00 O ATOM 0 H ASP A 16 8.650 -10.122 -3.682 1.00 0.00 H new ATOM 0 HA ASP A 16 7.583 -10.039 -6.514 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.166 -12.080 -4.879 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.832 -12.165 -6.597 1.00 0.00 H new ATOM 260 N VAL A 17 5.410 -10.797 -5.362 1.00 0.00 N ATOM 261 CA VAL A 17 4.164 -11.462 -4.898 1.00 0.00 C ATOM 262 C VAL A 17 3.470 -12.220 -6.028 1.00 0.00 C ATOM 263 O VAL A 17 3.854 -12.143 -7.179 1.00 0.00 O ATOM 264 CB VAL A 17 3.301 -10.298 -4.418 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.853 -10.750 -4.271 1.00 0.00 C ATOM 266 CG2 VAL A 17 3.819 -9.809 -3.063 1.00 0.00 C ATOM 0 H VAL A 17 5.273 -9.905 -5.838 1.00 0.00 H new ATOM 0 HA VAL A 17 4.354 -12.208 -4.127 1.00 0.00 H new ATOM 0 HB VAL A 17 3.352 -9.489 -5.147 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.244 -9.914 -3.928 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.481 -11.099 -5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.797 -11.561 -3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.205 -8.978 -2.717 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.769 -10.623 -2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.852 -9.478 -3.166 1.00 0.00 H new ATOM 276 N ALA A 18 2.452 -12.966 -5.694 1.00 0.00 N ATOM 277 CA ALA A 18 1.727 -13.753 -6.738 1.00 0.00 C ATOM 278 C ALA A 18 0.303 -13.227 -6.951 1.00 0.00 C ATOM 279 O ALA A 18 0.046 -12.041 -6.887 1.00 0.00 O ATOM 280 CB ALA A 18 1.674 -15.180 -6.198 1.00 0.00 C ATOM 0 H ALA A 18 2.090 -13.066 -4.746 1.00 0.00 H new ATOM 0 HA ALA A 18 2.232 -13.684 -7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.155 -15.820 -6.911 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.688 -15.551 -6.049 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.141 -15.190 -5.247 1.00 0.00 H new ATOM 286 N ASP A 19 -0.617 -14.116 -7.222 1.00 0.00 N ATOM 287 CA ASP A 19 -2.024 -13.710 -7.462 1.00 0.00 C ATOM 288 C ASP A 19 -2.888 -14.033 -6.238 1.00 0.00 C ATOM 289 O ASP A 19 -2.940 -15.156 -5.777 1.00 0.00 O ATOM 290 CB ASP A 19 -2.440 -14.549 -8.677 1.00 0.00 C ATOM 291 CG ASP A 19 -2.943 -15.926 -8.231 1.00 0.00 C ATOM 292 OD1 ASP A 19 -2.175 -16.644 -7.613 1.00 0.00 O ATOM 293 OD2 ASP A 19 -4.088 -16.237 -8.516 1.00 0.00 O ATOM 0 H ASP A 19 -0.445 -15.119 -7.287 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.141 -12.640 -7.637 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.222 -14.032 -9.233 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.593 -14.666 -9.353 1.00 0.00 H new ATOM 298 N GLY A 20 -3.563 -13.054 -5.714 1.00 0.00 N ATOM 299 CA GLY A 20 -4.426 -13.292 -4.522 1.00 0.00 C ATOM 300 C GLY A 20 -3.761 -12.692 -3.282 1.00 0.00 C ATOM 301 O GLY A 20 -4.254 -12.815 -2.178 1.00 0.00 O ATOM 0 H GLY A 20 -3.556 -12.094 -6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.407 -12.843 -4.675 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.584 -14.361 -4.382 1.00 0.00 H new ATOM 305 N VAL A 21 -2.643 -12.045 -3.457 1.00 0.00 N ATOM 306 CA VAL A 21 -1.938 -11.435 -2.295 1.00 0.00 C ATOM 307 C VAL A 21 -2.076 -9.908 -2.332 1.00 0.00 C ATOM 308 O VAL A 21 -2.537 -9.325 -3.287 1.00 0.00 O ATOM 309 CB VAL A 21 -0.464 -11.834 -2.481 1.00 0.00 C ATOM 310 CG1 VAL A 21 0.433 -10.805 -1.834 1.00 0.00 C ATOM 311 CG2 VAL A 21 -0.187 -13.189 -1.827 1.00 0.00 C ATOM 0 H VAL A 21 -2.185 -11.912 -4.359 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.345 -11.772 -1.342 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.263 -11.894 -3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.475 -11.094 -1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.263 -9.832 -2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.209 -10.745 -0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.861 -13.454 -1.969 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.405 -13.130 -0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.819 -13.950 -2.285 1.00 0.00 H new ATOM 321 N SER A 22 -1.634 -9.285 -1.289 1.00 0.00 N ATOM 322 CA SER A 22 -1.654 -7.797 -1.183 1.00 0.00 C ATOM 323 C SER A 22 -0.218 -7.294 -0.988 1.00 0.00 C ATOM 324 O SER A 22 0.709 -8.075 -0.911 1.00 0.00 O ATOM 325 CB SER A 22 -2.481 -7.496 0.068 1.00 0.00 C ATOM 326 OG SER A 22 -2.916 -8.714 0.659 1.00 0.00 O ATOM 0 H SER A 22 -1.244 -9.756 -0.472 1.00 0.00 H new ATOM 0 HA SER A 22 -2.069 -7.317 -2.070 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.885 -6.927 0.781 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.341 -6.879 -0.193 1.00 0.00 H new ATOM 0 HG SER A 22 -3.444 -8.518 1.461 1.00 0.00 H new ATOM 332 N LEU A 23 -0.016 -6.006 -0.875 1.00 0.00 N ATOM 333 CA LEU A 23 1.374 -5.506 -0.648 1.00 0.00 C ATOM 334 C LEU A 23 1.737 -5.689 0.828 1.00 0.00 C ATOM 335 O LEU A 23 2.855 -5.455 1.239 1.00 0.00 O ATOM 336 CB LEU A 23 1.362 -4.013 -1.013 1.00 0.00 C ATOM 337 CG LEU A 23 0.726 -3.823 -2.390 1.00 0.00 C ATOM 338 CD1 LEU A 23 1.004 -2.405 -2.889 1.00 0.00 C ATOM 339 CD2 LEU A 23 1.326 -4.832 -3.373 1.00 0.00 C ATOM 0 H LEU A 23 -0.740 -5.289 -0.929 1.00 0.00 H new ATOM 0 HA LEU A 23 2.106 -6.046 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.805 -3.450 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.379 -3.621 -1.015 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.350 -3.980 -2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.551 -2.269 -3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.580 -1.684 -2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.080 -2.249 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.873 -4.697 -4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.402 -4.674 -3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.131 -5.844 -3.020 1.00 0.00 H new ATOM 351 N MET A 24 0.783 -6.091 1.627 1.00 0.00 N ATOM 352 CA MET A 24 1.036 -6.281 3.084 1.00 0.00 C ATOM 353 C MET A 24 1.484 -7.714 3.397 1.00 0.00 C ATOM 354 O MET A 24 2.633 -7.978 3.689 1.00 0.00 O ATOM 355 CB MET A 24 -0.328 -5.971 3.734 1.00 0.00 C ATOM 356 CG MET A 24 -0.591 -6.874 4.953 1.00 0.00 C ATOM 357 SD MET A 24 -1.321 -5.899 6.279 1.00 0.00 S ATOM 358 CE MET A 24 0.242 -5.427 7.045 1.00 0.00 C ATOM 0 H MET A 24 -0.170 -6.298 1.328 1.00 0.00 H new ATOM 0 HA MET A 24 1.838 -5.643 3.454 1.00 0.00 H new ATOM 0 HB2 MET A 24 -0.356 -4.926 4.042 1.00 0.00 H new ATOM 0 HB3 MET A 24 -1.122 -6.109 3.000 1.00 0.00 H new ATOM 0 HG2 MET A 24 -1.259 -7.690 4.677 1.00 0.00 H new ATOM 0 HG3 MET A 24 0.341 -7.327 5.291 1.00 0.00 H new ATOM 0 HE1 MET A 24 0.129 -4.461 7.537 1.00 0.00 H new ATOM 0 HE2 MET A 24 0.528 -6.178 7.781 1.00 0.00 H new ATOM 0 HE3 MET A 24 1.015 -5.356 6.280 1.00 0.00 H new ATOM 368 N GLN A 25 0.553 -8.617 3.388 1.00 0.00 N ATOM 369 CA GLN A 25 0.842 -10.030 3.735 1.00 0.00 C ATOM 370 C GLN A 25 2.197 -10.506 3.156 1.00 0.00 C ATOM 371 O GLN A 25 2.796 -11.426 3.672 1.00 0.00 O ATOM 372 CB GLN A 25 -0.372 -10.796 3.143 1.00 0.00 C ATOM 373 CG GLN A 25 0.069 -11.822 2.111 1.00 0.00 C ATOM 374 CD GLN A 25 0.746 -11.079 0.978 1.00 0.00 C ATOM 375 OE1 GLN A 25 1.563 -11.641 0.275 1.00 0.00 O ATOM 376 NE2 GLN A 25 0.456 -9.807 0.773 1.00 0.00 N ATOM 0 H GLN A 25 -0.421 -8.431 3.149 1.00 0.00 H new ATOM 0 HA GLN A 25 0.952 -10.195 4.807 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.916 -11.295 3.945 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.062 -10.088 2.683 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.754 -12.543 2.558 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.788 -12.384 1.741 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.230 -9.339 1.365 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.918 -9.293 0.023 1.00 0.00 H new ATOM 385 N ALA A 26 2.690 -9.900 2.099 1.00 0.00 N ATOM 386 CA ALA A 26 3.998 -10.356 1.543 1.00 0.00 C ATOM 387 C ALA A 26 5.073 -9.519 2.211 1.00 0.00 C ATOM 388 O ALA A 26 6.171 -9.965 2.461 1.00 0.00 O ATOM 389 CB ALA A 26 3.975 -10.079 0.023 1.00 0.00 C ATOM 0 H ALA A 26 2.249 -9.123 1.607 1.00 0.00 H new ATOM 0 HA ALA A 26 4.185 -11.416 1.718 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.918 -10.400 -0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.153 -10.629 -0.435 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.838 -9.012 -0.150 1.00 0.00 H new ATOM 395 N ALA A 27 4.724 -8.293 2.499 1.00 0.00 N ATOM 396 CA ALA A 27 5.659 -7.349 3.161 1.00 0.00 C ATOM 397 C ALA A 27 5.750 -7.662 4.656 1.00 0.00 C ATOM 398 O ALA A 27 6.823 -7.831 5.202 1.00 0.00 O ATOM 399 CB ALA A 27 5.016 -5.982 2.925 1.00 0.00 C ATOM 0 H ALA A 27 3.805 -7.901 2.296 1.00 0.00 H new ATOM 0 HA ALA A 27 6.677 -7.404 2.774 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.633 -5.206 3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.933 -5.799 1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.023 -5.965 3.374 1.00 0.00 H new ATOM 405 N VAL A 28 4.630 -7.762 5.320 1.00 0.00 N ATOM 406 CA VAL A 28 4.658 -8.086 6.775 1.00 0.00 C ATOM 407 C VAL A 28 5.648 -9.228 6.994 1.00 0.00 C ATOM 408 O VAL A 28 6.615 -9.100 7.719 1.00 0.00 O ATOM 409 CB VAL A 28 3.234 -8.525 7.117 1.00 0.00 C ATOM 410 CG1 VAL A 28 3.158 -8.925 8.590 1.00 0.00 C ATOM 411 CG2 VAL A 28 2.260 -7.373 6.846 1.00 0.00 C ATOM 0 H VAL A 28 3.701 -7.634 4.920 1.00 0.00 H new ATOM 0 HA VAL A 28 4.968 -7.248 7.399 1.00 0.00 H new ATOM 0 HB VAL A 28 2.963 -9.380 6.497 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.142 -9.237 8.830 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.845 -9.750 8.779 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.433 -8.074 9.213 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.246 -7.689 7.091 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.531 -6.515 7.461 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.309 -7.095 5.793 1.00 0.00 H new ATOM 421 N SER A 29 5.431 -10.329 6.333 1.00 0.00 N ATOM 422 CA SER A 29 6.378 -11.469 6.454 1.00 0.00 C ATOM 423 C SER A 29 7.759 -11.001 6.032 1.00 0.00 C ATOM 424 O SER A 29 8.766 -11.364 6.607 1.00 0.00 O ATOM 425 CB SER A 29 5.893 -12.503 5.459 1.00 0.00 C ATOM 426 OG SER A 29 4.717 -12.034 4.814 1.00 0.00 O ATOM 0 H SER A 29 4.637 -10.488 5.713 1.00 0.00 H new ATOM 0 HA SER A 29 6.425 -11.861 7.470 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.669 -12.703 4.720 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.689 -13.444 5.969 1.00 0.00 H new ATOM 0 HG SER A 29 4.661 -12.420 3.915 1.00 0.00 H new ATOM 432 N ASN A 30 7.800 -10.168 5.030 1.00 0.00 N ATOM 433 CA ASN A 30 9.095 -9.625 4.549 1.00 0.00 C ATOM 434 C ASN A 30 9.670 -8.678 5.606 1.00 0.00 C ATOM 435 O ASN A 30 10.721 -8.093 5.430 1.00 0.00 O ATOM 436 CB ASN A 30 8.735 -8.886 3.258 1.00 0.00 C ATOM 437 CG ASN A 30 9.298 -9.658 2.068 1.00 0.00 C ATOM 438 OD1 ASN A 30 10.449 -9.499 1.712 1.00 0.00 O ATOM 439 ND2 ASN A 30 8.527 -10.497 1.433 1.00 0.00 N ATOM 0 H ASN A 30 6.981 -9.838 4.520 1.00 0.00 H new ATOM 0 HA ASN A 30 9.854 -10.387 4.372 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.653 -8.792 3.168 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.142 -7.875 3.277 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.890 -11.021 0.637 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.561 -10.629 1.733 1.00 0.00 H new ATOM 446 N GLY A 31 8.986 -8.539 6.713 1.00 0.00 N ATOM 447 CA GLY A 31 9.487 -7.648 7.800 1.00 0.00 C ATOM 448 C GLY A 31 9.041 -6.208 7.551 1.00 0.00 C ATOM 449 O GLY A 31 9.102 -5.374 8.433 1.00 0.00 O ATOM 0 H GLY A 31 8.101 -9.005 6.910 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.111 -7.991 8.764 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.575 -7.696 7.847 1.00 0.00 H new ATOM 453 N ILE A 32 8.582 -5.906 6.365 1.00 0.00 N ATOM 454 CA ILE A 32 8.121 -4.509 6.086 1.00 0.00 C ATOM 455 C ILE A 32 7.270 -4.054 7.266 1.00 0.00 C ATOM 456 O ILE A 32 7.559 -3.065 7.911 1.00 0.00 O ATOM 457 CB ILE A 32 7.309 -4.592 4.794 1.00 0.00 C ATOM 458 CG1 ILE A 32 8.067 -5.479 3.789 1.00 0.00 C ATOM 459 CG2 ILE A 32 7.112 -3.178 4.217 1.00 0.00 C ATOM 460 CD1 ILE A 32 7.798 -5.039 2.353 1.00 0.00 C ATOM 0 H ILE A 32 8.506 -6.557 5.583 1.00 0.00 H new ATOM 0 HA ILE A 32 8.934 -3.793 5.966 1.00 0.00 H new ATOM 0 HB ILE A 32 6.329 -5.026 4.993 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.137 -5.431 3.992 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.764 -6.518 3.917 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.533 -3.238 3.296 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.579 -2.561 4.941 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.084 -2.732 4.006 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.346 -5.684 1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.731 -5.111 2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.124 -4.007 2.221 1.00 0.00 H new ATOM 472 N TYR A 33 6.267 -4.813 7.600 1.00 0.00 N ATOM 473 CA TYR A 33 5.454 -4.469 8.798 1.00 0.00 C ATOM 474 C TYR A 33 4.869 -5.733 9.420 1.00 0.00 C ATOM 475 O TYR A 33 3.806 -6.176 9.041 1.00 0.00 O ATOM 476 CB TYR A 33 4.298 -3.547 8.387 1.00 0.00 C ATOM 477 CG TYR A 33 3.971 -3.612 6.925 1.00 0.00 C ATOM 478 CD1 TYR A 33 3.768 -4.847 6.333 1.00 0.00 C ATOM 479 CD2 TYR A 33 3.784 -2.430 6.185 1.00 0.00 C ATOM 480 CE1 TYR A 33 3.386 -4.928 4.998 1.00 0.00 C ATOM 481 CE2 TYR A 33 3.391 -2.503 4.839 1.00 0.00 C ATOM 482 CZ TYR A 33 3.190 -3.757 4.245 1.00 0.00 C ATOM 483 OH TYR A 33 2.806 -3.839 2.922 1.00 0.00 O ATOM 0 H TYR A 33 5.975 -5.652 7.099 1.00 0.00 H new ATOM 0 HA TYR A 33 6.097 -3.969 9.522 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.411 -3.812 8.962 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.552 -2.520 8.649 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.907 -5.750 6.909 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.942 -1.469 6.651 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.239 -5.894 4.538 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.245 -1.600 4.265 1.00 0.00 H new ATOM 0 HH TYR A 33 3.076 -4.707 2.556 1.00 0.00 H new ATOM 493 N ASP A 34 5.517 -6.300 10.396 1.00 0.00 N ATOM 494 CA ASP A 34 4.948 -7.512 11.056 1.00 0.00 C ATOM 495 C ASP A 34 3.721 -7.090 11.872 1.00 0.00 C ATOM 496 O ASP A 34 3.627 -7.338 13.058 1.00 0.00 O ATOM 497 CB ASP A 34 6.059 -8.030 11.972 1.00 0.00 C ATOM 498 CG ASP A 34 6.577 -6.885 12.844 1.00 0.00 C ATOM 499 OD1 ASP A 34 5.840 -6.449 13.714 1.00 0.00 O ATOM 500 OD2 ASP A 34 7.701 -6.465 12.628 1.00 0.00 O ATOM 0 H ASP A 34 6.412 -5.981 10.766 1.00 0.00 H new ATOM 0 HA ASP A 34 4.633 -8.280 10.349 1.00 0.00 H new ATOM 0 HB2 ASP A 34 5.681 -8.837 12.600 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.872 -8.444 11.376 1.00 0.00 H new ATOM 505 N ILE A 35 2.799 -6.425 11.235 1.00 0.00 N ATOM 506 CA ILE A 35 1.578 -5.934 11.938 1.00 0.00 C ATOM 507 C ILE A 35 0.448 -6.969 11.909 1.00 0.00 C ATOM 508 O ILE A 35 -0.219 -7.146 10.910 1.00 0.00 O ATOM 509 CB ILE A 35 1.161 -4.681 11.164 1.00 0.00 C ATOM 510 CG1 ILE A 35 -0.195 -4.205 11.686 1.00 0.00 C ATOM 511 CG2 ILE A 35 1.044 -4.997 9.664 1.00 0.00 C ATOM 512 CD1 ILE A 35 -0.358 -2.715 11.395 1.00 0.00 C ATOM 0 H ILE A 35 2.839 -6.197 10.242 1.00 0.00 H new ATOM 0 HA ILE A 35 1.780 -5.738 12.991 1.00 0.00 H new ATOM 0 HB ILE A 35 1.913 -3.905 11.304 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.998 -4.769 11.211 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.268 -4.387 12.758 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.747 -4.098 9.125 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.007 -5.343 9.289 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.295 -5.774 9.513 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.325 -2.375 11.767 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.438 -2.158 11.890 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.303 -2.546 10.320 1.00 0.00 H new ATOM 524 N VAL A 36 0.218 -7.637 13.006 1.00 0.00 N ATOM 525 CA VAL A 36 -0.882 -8.643 13.055 1.00 0.00 C ATOM 526 C VAL A 36 -1.893 -8.268 14.148 1.00 0.00 C ATOM 527 O VAL A 36 -2.416 -9.122 14.837 1.00 0.00 O ATOM 528 CB VAL A 36 -0.195 -9.966 13.391 1.00 0.00 C ATOM 529 CG1 VAL A 36 -1.239 -11.081 13.465 1.00 0.00 C ATOM 530 CG2 VAL A 36 0.829 -10.299 12.303 1.00 0.00 C ATOM 0 H VAL A 36 0.745 -7.530 13.873 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.434 -8.698 12.117 1.00 0.00 H new ATOM 0 HB VAL A 36 0.310 -9.878 14.353 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.748 -12.024 13.705 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.969 -10.845 14.239 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.745 -11.170 12.504 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.320 -11.243 12.542 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.323 -10.386 11.342 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.575 -9.506 12.250 1.00 0.00 H new ATOM 540 N GLY A 37 -2.164 -7.000 14.327 1.00 0.00 N ATOM 541 CA GLY A 37 -3.129 -6.590 15.392 1.00 0.00 C ATOM 542 C GLY A 37 -4.317 -5.833 14.786 1.00 0.00 C ATOM 543 O GLY A 37 -5.460 -6.173 15.017 1.00 0.00 O ATOM 0 H GLY A 37 -1.762 -6.235 13.785 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.487 -7.471 15.924 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.624 -5.959 16.123 1.00 0.00 H new ATOM 547 N ASP A 38 -4.061 -4.802 14.026 1.00 0.00 N ATOM 548 CA ASP A 38 -5.183 -4.020 13.423 1.00 0.00 C ATOM 549 C ASP A 38 -5.733 -4.741 12.194 1.00 0.00 C ATOM 550 O ASP A 38 -6.767 -5.379 12.236 1.00 0.00 O ATOM 551 CB ASP A 38 -4.555 -2.686 13.019 1.00 0.00 C ATOM 552 CG ASP A 38 -4.831 -1.642 14.103 1.00 0.00 C ATOM 553 OD1 ASP A 38 -5.276 -2.029 15.171 1.00 0.00 O ATOM 554 OD2 ASP A 38 -4.594 -0.473 13.845 1.00 0.00 O ATOM 0 H ASP A 38 -3.126 -4.467 13.796 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.016 -3.893 14.115 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.481 -2.805 12.879 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.965 -2.353 12.066 1.00 0.00 H new ATOM 559 N CYS A 39 -5.043 -4.633 11.105 1.00 0.00 N ATOM 560 CA CYS A 39 -5.493 -5.297 9.844 1.00 0.00 C ATOM 561 C CYS A 39 -5.378 -6.815 9.957 1.00 0.00 C ATOM 562 O CYS A 39 -6.223 -7.541 9.470 1.00 0.00 O ATOM 563 CB CYS A 39 -4.534 -4.788 8.782 1.00 0.00 C ATOM 564 SG CYS A 39 -2.826 -4.961 9.368 1.00 0.00 S ATOM 0 H CYS A 39 -4.173 -4.107 11.025 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.536 -5.075 9.618 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.670 -5.348 7.857 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.747 -3.743 8.556 1.00 0.00 H new ATOM 569 N GLY A 40 -4.336 -7.308 10.575 1.00 0.00 N ATOM 570 CA GLY A 40 -4.179 -8.785 10.683 1.00 0.00 C ATOM 571 C GLY A 40 -4.483 -9.387 9.314 1.00 0.00 C ATOM 572 O GLY A 40 -5.018 -10.471 9.197 1.00 0.00 O ATOM 0 H GLY A 40 -3.594 -6.756 11.005 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.167 -9.040 10.996 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.856 -9.187 11.436 1.00 0.00 H new ATOM 576 N GLY A 41 -4.163 -8.662 8.276 1.00 0.00 N ATOM 577 CA GLY A 41 -4.447 -9.152 6.901 1.00 0.00 C ATOM 578 C GLY A 41 -5.918 -8.887 6.579 1.00 0.00 C ATOM 579 O GLY A 41 -6.564 -9.663 5.904 1.00 0.00 O ATOM 0 H GLY A 41 -3.715 -7.747 8.324 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.805 -8.646 6.180 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.230 -10.218 6.828 1.00 0.00 H new ATOM 583 N SER A 42 -6.458 -7.795 7.064 1.00 0.00 N ATOM 584 CA SER A 42 -7.893 -7.496 6.784 1.00 0.00 C ATOM 585 C SER A 42 -8.103 -6.016 6.454 1.00 0.00 C ATOM 586 O SER A 42 -9.208 -5.587 6.184 1.00 0.00 O ATOM 587 CB SER A 42 -8.640 -7.878 8.061 1.00 0.00 C ATOM 588 OG SER A 42 -8.399 -9.247 8.354 1.00 0.00 O ATOM 0 H SER A 42 -5.971 -7.105 7.636 1.00 0.00 H new ATOM 0 HA SER A 42 -8.253 -8.050 5.917 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.309 -7.253 8.890 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.709 -7.703 7.937 1.00 0.00 H new ATOM 0 HG SER A 42 -7.573 -9.330 8.874 1.00 0.00 H new ATOM 594 N ALA A 43 -7.057 -5.240 6.445 1.00 0.00 N ATOM 595 CA ALA A 43 -7.194 -3.792 6.097 1.00 0.00 C ATOM 596 C ALA A 43 -7.887 -2.990 7.200 1.00 0.00 C ATOM 597 O ALA A 43 -8.880 -2.332 6.979 1.00 0.00 O ATOM 598 CB ALA A 43 -8.031 -3.763 4.831 1.00 0.00 C ATOM 0 H ALA A 43 -6.108 -5.544 6.664 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.213 -3.335 5.968 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.175 -2.730 4.513 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.519 -4.317 4.044 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.001 -4.221 5.025 1.00 0.00 H new ATOM 604 N SER A 44 -7.347 -3.019 8.370 1.00 0.00 N ATOM 605 CA SER A 44 -7.911 -2.222 9.497 1.00 0.00 C ATOM 606 C SER A 44 -6.747 -1.500 10.179 1.00 0.00 C ATOM 607 O SER A 44 -6.716 -1.344 11.384 1.00 0.00 O ATOM 608 CB SER A 44 -8.548 -3.243 10.440 1.00 0.00 C ATOM 609 OG SER A 44 -8.676 -2.672 11.734 1.00 0.00 O ATOM 0 H SER A 44 -6.522 -3.569 8.608 1.00 0.00 H new ATOM 0 HA SER A 44 -8.645 -1.479 9.185 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.526 -3.542 10.064 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.936 -4.144 10.486 1.00 0.00 H new ATOM 0 HG SER A 44 -7.786 -2.470 12.092 1.00 0.00 H new ATOM 615 N CYS A 45 -5.740 -1.141 9.421 1.00 0.00 N ATOM 616 CA CYS A 45 -4.525 -0.524 10.052 1.00 0.00 C ATOM 617 C CYS A 45 -4.268 0.960 9.741 1.00 0.00 C ATOM 618 O CYS A 45 -4.225 1.399 8.617 1.00 0.00 O ATOM 619 CB CYS A 45 -3.338 -1.381 9.587 1.00 0.00 C ATOM 620 SG CYS A 45 -3.532 -1.868 7.859 1.00 0.00 S ATOM 0 H CYS A 45 -5.703 -1.245 8.407 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.678 -0.520 11.131 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.411 -0.822 9.709 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.259 -2.270 10.213 1.00 0.00 H new ATOM 625 N ALA A 46 -4.012 1.734 10.752 1.00 0.00 N ATOM 626 CA ALA A 46 -3.686 3.164 10.516 1.00 0.00 C ATOM 627 C ALA A 46 -2.165 3.317 10.382 1.00 0.00 C ATOM 628 O ALA A 46 -1.645 4.411 10.297 1.00 0.00 O ATOM 629 CB ALA A 46 -4.198 3.901 11.754 1.00 0.00 C ATOM 0 H ALA A 46 -4.014 1.441 11.729 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.137 3.558 9.605 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.993 4.967 11.654 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.273 3.746 11.851 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.694 3.516 12.641 1.00 0.00 H new ATOM 635 N THR A 47 -1.444 2.218 10.381 1.00 0.00 N ATOM 636 CA THR A 47 0.045 2.295 10.271 1.00 0.00 C ATOM 637 C THR A 47 0.549 1.763 8.917 1.00 0.00 C ATOM 638 O THR A 47 1.452 2.327 8.330 1.00 0.00 O ATOM 639 CB THR A 47 0.570 1.431 11.417 1.00 0.00 C ATOM 640 OG1 THR A 47 1.942 1.725 11.640 1.00 0.00 O ATOM 641 CG2 THR A 47 0.415 -0.045 11.057 1.00 0.00 C ATOM 0 H THR A 47 -1.824 1.274 10.452 1.00 0.00 H new ATOM 0 HA THR A 47 0.393 3.326 10.331 1.00 0.00 H new ATOM 0 HB THR A 47 0.001 1.643 12.322 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.279 1.173 12.376 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.790 -0.660 11.875 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.638 -0.269 10.887 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.983 -0.260 10.152 1.00 0.00 H new ATOM 649 N CYS A 48 -0.009 0.688 8.407 1.00 0.00 N ATOM 650 CA CYS A 48 0.483 0.165 7.089 1.00 0.00 C ATOM 651 C CYS A 48 -0.010 1.043 5.931 1.00 0.00 C ATOM 652 O CYS A 48 0.121 0.684 4.781 1.00 0.00 O ATOM 653 CB CYS A 48 -0.054 -1.261 6.913 1.00 0.00 C ATOM 654 SG CYS A 48 -0.215 -2.163 8.471 1.00 0.00 S ATOM 0 H CYS A 48 -0.769 0.159 8.836 1.00 0.00 H new ATOM 0 HA CYS A 48 1.573 0.175 7.079 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.027 -1.217 6.424 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.611 -1.813 6.249 1.00 0.00 H new ATOM 659 N HIS A 49 -0.572 2.187 6.204 1.00 0.00 N ATOM 660 CA HIS A 49 -1.052 3.044 5.083 1.00 0.00 C ATOM 661 C HIS A 49 0.024 3.116 3.994 1.00 0.00 C ATOM 662 O HIS A 49 1.199 3.225 4.282 1.00 0.00 O ATOM 663 CB HIS A 49 -1.294 4.412 5.709 1.00 0.00 C ATOM 664 CG HIS A 49 -2.050 5.276 4.741 1.00 0.00 C ATOM 665 ND1 HIS A 49 -2.339 6.596 5.014 1.00 0.00 N ATOM 666 CD2 HIS A 49 -2.553 5.036 3.489 1.00 0.00 C ATOM 667 CE1 HIS A 49 -2.978 7.103 3.947 1.00 0.00 C ATOM 668 NE2 HIS A 49 -3.132 6.192 2.989 1.00 0.00 N ATOM 0 H HIS A 49 -0.719 2.563 7.141 1.00 0.00 H new ATOM 0 HA HIS A 49 -1.955 2.658 4.611 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.858 4.306 6.636 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.344 4.880 5.966 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -2.109 7.097 5.872 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.506 4.090 2.971 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.324 8.124 3.875 1.00 0.00 H new ATOM 676 N VAL A 50 -0.361 3.050 2.746 1.00 0.00 N ATOM 677 CA VAL A 50 0.645 3.109 1.659 1.00 0.00 C ATOM 678 C VAL A 50 0.107 3.934 0.509 1.00 0.00 C ATOM 679 O VAL A 50 -1.082 4.133 0.369 1.00 0.00 O ATOM 680 CB VAL A 50 0.848 1.673 1.200 1.00 0.00 C ATOM 681 CG1 VAL A 50 1.541 0.882 2.302 1.00 0.00 C ATOM 682 CG2 VAL A 50 -0.512 1.055 0.881 1.00 0.00 C ATOM 0 H VAL A 50 -1.329 2.958 2.439 1.00 0.00 H new ATOM 0 HA VAL A 50 1.576 3.563 1.998 1.00 0.00 H new ATOM 0 HB VAL A 50 1.471 1.651 0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.687 -0.147 1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.508 1.334 2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.924 0.893 3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.375 0.025 0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.137 1.070 1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.996 1.628 0.090 1.00 0.00 H new ATOM 692 N TYR A 51 0.983 4.396 -0.315 1.00 0.00 N ATOM 693 CA TYR A 51 0.567 5.211 -1.481 1.00 0.00 C ATOM 694 C TYR A 51 0.998 4.509 -2.772 1.00 0.00 C ATOM 695 O TYR A 51 2.159 4.220 -2.981 1.00 0.00 O ATOM 696 CB TYR A 51 1.306 6.536 -1.295 1.00 0.00 C ATOM 697 CG TYR A 51 0.612 7.401 -0.246 1.00 0.00 C ATOM 698 CD1 TYR A 51 -0.642 7.035 0.274 1.00 0.00 C ATOM 699 CD2 TYR A 51 1.210 8.602 0.174 1.00 0.00 C ATOM 700 CE1 TYR A 51 -1.283 7.862 1.203 1.00 0.00 C ATOM 701 CE2 TYR A 51 0.558 9.431 1.096 1.00 0.00 C ATOM 702 CZ TYR A 51 -0.687 9.061 1.611 1.00 0.00 C ATOM 703 OH TYR A 51 -1.329 9.877 2.520 1.00 0.00 O ATOM 0 H TYR A 51 1.988 4.244 -0.234 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.511 5.357 -1.548 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.335 6.344 -0.992 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.348 7.071 -2.244 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.111 6.115 -0.044 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.176 8.887 -0.216 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.242 7.574 1.607 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.018 10.357 1.409 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.926 10.770 2.500 1.00 0.00 H new ATOM 713 N VAL A 52 0.062 4.220 -3.632 1.00 0.00 N ATOM 714 CA VAL A 52 0.406 3.518 -4.910 1.00 0.00 C ATOM 715 C VAL A 52 0.574 4.544 -6.049 1.00 0.00 C ATOM 716 O VAL A 52 0.230 5.699 -5.898 1.00 0.00 O ATOM 717 CB VAL A 52 -0.791 2.596 -5.188 1.00 0.00 C ATOM 718 CG1 VAL A 52 -0.523 1.720 -6.425 1.00 0.00 C ATOM 719 CG2 VAL A 52 -1.030 1.702 -3.974 1.00 0.00 C ATOM 0 H VAL A 52 -0.927 4.437 -3.510 1.00 0.00 H new ATOM 0 HA VAL A 52 1.342 2.963 -4.841 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.672 3.209 -5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.382 1.074 -6.606 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.359 2.358 -7.294 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.362 1.108 -6.252 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.879 1.046 -4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.141 1.100 -3.785 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.241 2.321 -3.102 1.00 0.00 H new ATOM 729 N ASN A 53 1.077 4.138 -7.196 1.00 0.00 N ATOM 730 CA ASN A 53 1.229 5.108 -8.325 1.00 0.00 C ATOM 731 C ASN A 53 -0.082 5.161 -9.111 1.00 0.00 C ATOM 732 O ASN A 53 -0.690 4.145 -9.377 1.00 0.00 O ATOM 733 CB ASN A 53 2.314 4.514 -9.214 1.00 0.00 C ATOM 734 CG ASN A 53 1.818 3.165 -9.674 1.00 0.00 C ATOM 735 OD1 ASN A 53 1.035 3.097 -10.595 1.00 0.00 O ATOM 736 ND2 ASN A 53 2.206 2.096 -9.048 1.00 0.00 N ATOM 0 H ASN A 53 1.385 3.186 -7.394 1.00 0.00 H new ATOM 0 HA ASN A 53 1.476 6.113 -7.982 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.512 5.163 -10.067 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.250 4.414 -8.665 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.851 1.182 -9.330 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.866 2.170 -8.274 1.00 0.00 H new ATOM 743 N GLU A 54 -0.522 6.325 -9.493 1.00 0.00 N ATOM 744 CA GLU A 54 -1.798 6.429 -10.264 1.00 0.00 C ATOM 745 C GLU A 54 -1.928 5.303 -11.307 1.00 0.00 C ATOM 746 O GLU A 54 -3.017 4.981 -11.741 1.00 0.00 O ATOM 747 CB GLU A 54 -1.723 7.789 -10.960 1.00 0.00 C ATOM 748 CG GLU A 54 -0.426 7.879 -11.765 1.00 0.00 C ATOM 749 CD GLU A 54 -0.429 9.164 -12.596 1.00 0.00 C ATOM 750 OE1 GLU A 54 -1.172 9.220 -13.562 1.00 0.00 O ATOM 751 OE2 GLU A 54 0.311 10.071 -12.252 1.00 0.00 O ATOM 0 H GLU A 54 -0.055 7.212 -9.306 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.666 6.335 -9.611 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.582 7.920 -11.618 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.762 8.590 -10.222 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.433 7.870 -11.094 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.330 7.011 -12.418 1.00 0.00 H new ATOM 758 N ALA A 55 -0.839 4.714 -11.728 1.00 0.00 N ATOM 759 CA ALA A 55 -0.924 3.632 -12.757 1.00 0.00 C ATOM 760 C ALA A 55 -1.514 2.336 -12.176 1.00 0.00 C ATOM 761 O ALA A 55 -2.454 1.784 -12.712 1.00 0.00 O ATOM 762 CB ALA A 55 0.520 3.404 -13.202 1.00 0.00 C ATOM 0 H ALA A 55 0.103 4.934 -11.406 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.580 3.917 -13.579 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.548 2.621 -13.960 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.922 4.327 -13.619 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.121 3.100 -12.345 1.00 0.00 H new ATOM 768 N PHE A 56 -0.958 1.831 -11.107 1.00 0.00 N ATOM 769 CA PHE A 56 -1.479 0.555 -10.526 1.00 0.00 C ATOM 770 C PHE A 56 -2.661 0.814 -9.584 1.00 0.00 C ATOM 771 O PHE A 56 -3.278 -0.109 -9.091 1.00 0.00 O ATOM 772 CB PHE A 56 -0.286 -0.045 -9.775 1.00 0.00 C ATOM 773 CG PHE A 56 0.714 -0.561 -10.796 1.00 0.00 C ATOM 774 CD1 PHE A 56 1.549 0.354 -11.461 1.00 0.00 C ATOM 775 CD2 PHE A 56 0.812 -1.940 -11.106 1.00 0.00 C ATOM 776 CE1 PHE A 56 2.459 -0.092 -12.421 1.00 0.00 C ATOM 777 CE2 PHE A 56 1.732 -2.369 -12.063 1.00 0.00 C ATOM 778 CZ PHE A 56 2.549 -1.451 -12.724 1.00 0.00 C ATOM 0 H PHE A 56 -0.168 2.244 -10.611 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.860 -0.120 -11.292 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.178 0.707 -9.137 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.616 -0.855 -9.125 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.486 1.407 -11.228 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.178 -2.656 -10.604 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.095 0.617 -12.931 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.813 -3.421 -12.294 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.251 -1.792 -13.470 1.00 0.00 H new ATOM 788 N THR A 57 -2.994 2.053 -9.333 1.00 0.00 N ATOM 789 CA THR A 57 -4.151 2.331 -8.429 1.00 0.00 C ATOM 790 C THR A 57 -5.470 2.182 -9.203 1.00 0.00 C ATOM 791 O THR A 57 -6.370 1.479 -8.789 1.00 0.00 O ATOM 792 CB THR A 57 -3.991 3.778 -7.953 1.00 0.00 C ATOM 793 OG1 THR A 57 -4.443 4.659 -8.970 1.00 0.00 O ATOM 794 CG2 THR A 57 -2.528 4.082 -7.630 1.00 0.00 C ATOM 0 H THR A 57 -2.522 2.876 -9.709 1.00 0.00 H new ATOM 0 HA THR A 57 -4.172 1.635 -7.590 1.00 0.00 H new ATOM 0 HB THR A 57 -4.583 3.917 -7.048 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.399 4.837 -8.847 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.437 5.115 -7.294 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.182 3.412 -6.843 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.920 3.936 -8.523 1.00 0.00 H new ATOM 802 N ASP A 58 -5.586 2.851 -10.326 1.00 0.00 N ATOM 803 CA ASP A 58 -6.842 2.766 -11.137 1.00 0.00 C ATOM 804 C ASP A 58 -7.049 1.330 -11.645 1.00 0.00 C ATOM 805 O ASP A 58 -8.090 0.986 -12.170 1.00 0.00 O ATOM 806 CB ASP A 58 -6.626 3.771 -12.288 1.00 0.00 C ATOM 807 CG ASP A 58 -6.759 3.091 -13.659 1.00 0.00 C ATOM 808 OD1 ASP A 58 -7.804 2.516 -13.915 1.00 0.00 O ATOM 809 OD2 ASP A 58 -5.812 3.158 -14.425 1.00 0.00 O ATOM 0 H ASP A 58 -4.862 3.454 -10.717 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.740 3.007 -10.568 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.354 4.579 -12.209 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.638 4.222 -12.198 1.00 0.00 H new ATOM 814 N LYS A 59 -6.067 0.495 -11.475 1.00 0.00 N ATOM 815 CA LYS A 59 -6.182 -0.923 -11.922 1.00 0.00 C ATOM 816 C LYS A 59 -6.980 -1.695 -10.908 1.00 0.00 C ATOM 817 O LYS A 59 -7.931 -2.398 -11.189 1.00 0.00 O ATOM 818 CB LYS A 59 -4.759 -1.465 -11.832 1.00 0.00 C ATOM 819 CG LYS A 59 -3.767 -0.452 -12.415 1.00 0.00 C ATOM 820 CD LYS A 59 -4.327 0.139 -13.711 1.00 0.00 C ATOM 821 CE LYS A 59 -3.235 0.151 -14.783 1.00 0.00 C ATOM 822 NZ LYS A 59 -3.166 -1.252 -15.276 1.00 0.00 N ATOM 0 H LYS A 59 -5.176 0.735 -11.040 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.640 -1.001 -12.908 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.507 -1.674 -10.792 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.687 -2.408 -12.373 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.580 0.343 -11.694 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.811 -0.937 -12.610 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.179 -0.449 -14.052 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.689 1.152 -13.534 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.481 0.841 -15.590 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.279 0.472 -14.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.171 -1.546 -15.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.664 -1.878 -14.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.615 -1.314 -16.212 1.00 0.00 H new ATOM 836 N VAL A 60 -6.514 -1.570 -9.725 1.00 0.00 N ATOM 837 CA VAL A 60 -7.081 -2.264 -8.569 1.00 0.00 C ATOM 838 C VAL A 60 -8.346 -1.534 -8.080 1.00 0.00 C ATOM 839 O VAL A 60 -8.562 -0.385 -8.413 1.00 0.00 O ATOM 840 CB VAL A 60 -5.890 -2.168 -7.614 1.00 0.00 C ATOM 841 CG1 VAL A 60 -6.060 -1.004 -6.655 1.00 0.00 C ATOM 842 CG2 VAL A 60 -5.699 -3.478 -6.877 1.00 0.00 C ATOM 0 H VAL A 60 -5.714 -0.979 -9.498 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.429 -3.285 -8.722 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.988 -1.979 -8.197 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.201 -0.956 -5.986 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.133 -0.075 -7.220 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.969 -1.145 -6.070 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.848 -3.395 -6.201 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.597 -3.707 -6.303 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.514 -4.276 -7.596 1.00 0.00 H new ATOM 852 N PRO A 61 -9.150 -2.235 -7.324 1.00 0.00 N ATOM 853 CA PRO A 61 -10.420 -1.657 -6.804 1.00 0.00 C ATOM 854 C PRO A 61 -10.191 -0.437 -5.923 1.00 0.00 C ATOM 855 O PRO A 61 -9.098 -0.154 -5.472 1.00 0.00 O ATOM 856 CB PRO A 61 -11.048 -2.808 -6.023 1.00 0.00 C ATOM 857 CG PRO A 61 -9.899 -3.701 -5.689 1.00 0.00 C ATOM 858 CD PRO A 61 -8.963 -3.615 -6.865 1.00 0.00 C ATOM 0 HA PRO A 61 -11.060 -1.288 -7.606 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.548 -2.451 -5.123 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.797 -3.330 -6.618 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.406 -3.379 -4.772 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.233 -4.726 -5.528 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.930 -3.809 -6.576 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.218 -4.338 -7.640 1.00 0.00 H new ATOM 866 N ALA A 62 -11.242 0.295 -5.718 1.00 0.00 N ATOM 867 CA ALA A 62 -11.176 1.539 -4.908 1.00 0.00 C ATOM 868 C ALA A 62 -11.210 1.243 -3.406 1.00 0.00 C ATOM 869 O ALA A 62 -10.711 0.235 -2.945 1.00 0.00 O ATOM 870 CB ALA A 62 -12.419 2.303 -5.342 1.00 0.00 C ATOM 0 H ALA A 62 -12.168 0.079 -6.086 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.251 2.093 -5.066 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.472 3.248 -4.802 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.370 2.500 -6.413 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.306 1.709 -5.123 1.00 0.00 H new ATOM 876 N ALA A 63 -11.780 2.136 -2.636 1.00 0.00 N ATOM 877 CA ALA A 63 -11.832 1.936 -1.157 1.00 0.00 C ATOM 878 C ALA A 63 -13.257 1.649 -0.676 1.00 0.00 C ATOM 879 O ALA A 63 -14.219 2.197 -1.177 1.00 0.00 O ATOM 880 CB ALA A 63 -11.348 3.262 -0.576 1.00 0.00 C ATOM 0 H ALA A 63 -12.213 2.997 -2.970 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.227 1.084 -0.848 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.354 3.206 0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.335 3.463 -0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.010 4.065 -0.901 1.00 0.00 H new ATOM 886 N ASN A 64 -13.392 0.807 0.315 1.00 0.00 N ATOM 887 CA ASN A 64 -14.743 0.494 0.862 1.00 0.00 C ATOM 888 C ASN A 64 -14.972 1.292 2.148 1.00 0.00 C ATOM 889 O ASN A 64 -14.392 2.339 2.351 1.00 0.00 O ATOM 890 CB ASN A 64 -14.718 -1.004 1.167 1.00 0.00 C ATOM 891 CG ASN A 64 -13.599 -1.301 2.167 1.00 0.00 C ATOM 892 OD1 ASN A 64 -13.012 -0.398 2.728 1.00 0.00 O ATOM 893 ND2 ASN A 64 -13.277 -2.541 2.416 1.00 0.00 N ATOM 0 H ASN A 64 -12.620 0.321 0.771 1.00 0.00 H new ATOM 0 HA ASN A 64 -15.542 0.751 0.167 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -15.678 -1.319 1.575 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -14.560 -1.571 0.249 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.533 -2.751 3.081 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -13.769 -3.300 1.945 1.00 0.00 H new ATOM 900 N GLU A 65 -15.805 0.802 3.022 1.00 0.00 N ATOM 901 CA GLU A 65 -16.057 1.529 4.300 1.00 0.00 C ATOM 902 C GLU A 65 -14.927 1.245 5.299 1.00 0.00 C ATOM 903 O GLU A 65 -14.631 2.047 6.161 1.00 0.00 O ATOM 904 CB GLU A 65 -17.403 0.988 4.805 1.00 0.00 C ATOM 905 CG GLU A 65 -17.196 -0.302 5.608 1.00 0.00 C ATOM 906 CD GLU A 65 -16.701 -1.413 4.680 1.00 0.00 C ATOM 907 OE1 GLU A 65 -17.297 -1.590 3.630 1.00 0.00 O ATOM 908 OE2 GLU A 65 -15.733 -2.067 5.035 1.00 0.00 O ATOM 0 H GLU A 65 -16.323 -0.070 2.908 1.00 0.00 H new ATOM 0 HA GLU A 65 -16.088 2.611 4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -17.892 1.737 5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -18.064 0.795 3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -16.473 -0.133 6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -18.131 -0.601 6.082 1.00 0.00 H new ATOM 915 N ARG A 66 -14.291 0.108 5.182 1.00 0.00 N ATOM 916 CA ARG A 66 -13.178 -0.227 6.119 1.00 0.00 C ATOM 917 C ARG A 66 -11.927 0.569 5.759 1.00 0.00 C ATOM 918 O ARG A 66 -11.309 1.190 6.600 1.00 0.00 O ATOM 919 CB ARG A 66 -12.914 -1.718 5.920 1.00 0.00 C ATOM 920 CG ARG A 66 -13.086 -2.445 7.252 1.00 0.00 C ATOM 921 CD ARG A 66 -12.627 -3.896 7.104 1.00 0.00 C ATOM 922 NE ARG A 66 -13.594 -4.510 6.152 1.00 0.00 N ATOM 923 CZ ARG A 66 -14.171 -5.643 6.449 1.00 0.00 C ATOM 924 NH1 ARG A 66 -13.470 -6.619 6.958 1.00 0.00 N ATOM 925 NH2 ARG A 66 -15.449 -5.798 6.235 1.00 0.00 N ATOM 0 H ARG A 66 -14.494 -0.602 4.479 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.435 0.012 7.151 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.602 -2.125 5.179 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.905 -1.872 5.536 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.506 -1.946 8.028 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.130 -2.413 7.564 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.608 -3.951 6.722 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -12.636 -4.413 8.064 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.805 -4.046 5.269 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.471 -6.497 7.124 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.921 -7.504 7.190 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.996 -5.035 5.836 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.901 -6.682 6.466 1.00 0.00 H new ATOM 939 N GLU A 67 -11.547 0.547 4.514 1.00 0.00 N ATOM 940 CA GLU A 67 -10.332 1.289 4.086 1.00 0.00 C ATOM 941 C GLU A 67 -10.512 2.796 4.283 1.00 0.00 C ATOM 942 O GLU A 67 -9.608 3.562 4.068 1.00 0.00 O ATOM 943 CB GLU A 67 -10.191 0.962 2.600 1.00 0.00 C ATOM 944 CG GLU A 67 -9.224 1.950 1.945 1.00 0.00 C ATOM 945 CD GLU A 67 -9.167 1.697 0.442 1.00 0.00 C ATOM 946 OE1 GLU A 67 -9.384 0.568 0.039 1.00 0.00 O ATOM 947 OE2 GLU A 67 -8.908 2.641 -0.282 1.00 0.00 O ATOM 0 H GLU A 67 -12.029 0.043 3.770 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.453 1.006 4.666 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.825 -0.057 2.475 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.164 1.013 2.112 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.548 2.973 2.139 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.230 1.842 2.379 1.00 0.00 H new ATOM 954 N ILE A 68 -11.667 3.240 4.671 1.00 0.00 N ATOM 955 CA ILE A 68 -11.858 4.705 4.852 1.00 0.00 C ATOM 956 C ILE A 68 -11.525 5.118 6.296 1.00 0.00 C ATOM 957 O ILE A 68 -11.389 6.287 6.596 1.00 0.00 O ATOM 958 CB ILE A 68 -13.340 4.933 4.516 1.00 0.00 C ATOM 959 CG1 ILE A 68 -13.476 5.292 3.033 1.00 0.00 C ATOM 960 CG2 ILE A 68 -13.925 6.070 5.361 1.00 0.00 C ATOM 961 CD1 ILE A 68 -12.663 4.309 2.189 1.00 0.00 C ATOM 0 H ILE A 68 -12.483 2.661 4.870 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.203 5.305 4.220 1.00 0.00 H new ATOM 0 HB ILE A 68 -13.887 4.016 4.735 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -14.524 5.261 2.736 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -13.126 6.310 2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.975 6.211 5.104 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.841 5.818 6.418 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.376 6.990 5.163 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.762 4.567 1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.614 4.362 2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -13.034 3.297 2.351 1.00 0.00 H new ATOM 973 N GLY A 69 -11.403 4.174 7.193 1.00 0.00 N ATOM 974 CA GLY A 69 -11.088 4.531 8.611 1.00 0.00 C ATOM 975 C GLY A 69 -9.571 4.593 8.818 1.00 0.00 C ATOM 976 O GLY A 69 -8.987 5.657 8.840 1.00 0.00 O ATOM 0 H GLY A 69 -11.507 3.176 7.008 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.536 5.493 8.859 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.524 3.793 9.285 1.00 0.00 H new ATOM 980 N MET A 70 -8.927 3.468 8.991 1.00 0.00 N ATOM 981 CA MET A 70 -7.442 3.507 9.215 1.00 0.00 C ATOM 982 C MET A 70 -6.792 4.405 8.168 1.00 0.00 C ATOM 983 O MET A 70 -5.823 5.090 8.429 1.00 0.00 O ATOM 984 CB MET A 70 -6.863 2.084 9.045 1.00 0.00 C ATOM 985 CG MET A 70 -7.908 1.035 8.645 1.00 0.00 C ATOM 986 SD MET A 70 -8.620 1.424 7.031 1.00 0.00 S ATOM 987 CE MET A 70 -8.067 -0.090 6.220 1.00 0.00 C ATOM 0 H MET A 70 -9.350 2.540 8.988 1.00 0.00 H new ATOM 0 HA MET A 70 -7.243 3.886 10.217 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.079 2.109 8.289 1.00 0.00 H new ATOM 0 HB3 MET A 70 -6.394 1.778 9.980 1.00 0.00 H new ATOM 0 HG2 MET A 70 -7.447 0.048 8.616 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.697 0.996 9.396 1.00 0.00 H new ATOM 0 HE1 MET A 70 -7.447 0.163 5.360 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.487 -0.688 6.923 1.00 0.00 H new ATOM 0 HE3 MET A 70 -8.933 -0.661 5.886 1.00 0.00 H new ATOM 997 N LEU A 71 -7.323 4.401 6.985 1.00 0.00 N ATOM 998 CA LEU A 71 -6.759 5.239 5.900 1.00 0.00 C ATOM 999 C LEU A 71 -7.045 6.718 6.201 1.00 0.00 C ATOM 1000 O LEU A 71 -6.419 7.610 5.671 1.00 0.00 O ATOM 1001 CB LEU A 71 -7.511 4.740 4.669 1.00 0.00 C ATOM 1002 CG LEU A 71 -6.717 4.946 3.372 1.00 0.00 C ATOM 1003 CD1 LEU A 71 -7.688 5.292 2.253 1.00 0.00 C ATOM 1004 CD2 LEU A 71 -5.725 6.094 3.495 1.00 0.00 C ATOM 0 H LEU A 71 -8.136 3.845 6.719 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.678 5.167 5.776 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.736 3.680 4.789 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.465 5.262 4.594 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.170 4.026 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.136 5.441 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.400 4.477 2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.225 6.206 2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.182 6.208 2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.262 7.016 3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.020 5.881 4.298 1.00 0.00 H new ATOM 1016 N GLU A 72 -7.983 6.977 7.070 1.00 0.00 N ATOM 1017 CA GLU A 72 -8.300 8.387 7.441 1.00 0.00 C ATOM 1018 C GLU A 72 -7.454 8.805 8.653 1.00 0.00 C ATOM 1019 O GLU A 72 -6.793 9.826 8.643 1.00 0.00 O ATOM 1020 CB GLU A 72 -9.800 8.385 7.783 1.00 0.00 C ATOM 1021 CG GLU A 72 -10.062 9.135 9.102 1.00 0.00 C ATOM 1022 CD GLU A 72 -11.466 9.740 9.079 1.00 0.00 C ATOM 1023 OE1 GLU A 72 -12.404 9.024 9.388 1.00 0.00 O ATOM 1024 OE2 GLU A 72 -11.580 10.910 8.750 1.00 0.00 O ATOM 0 H GLU A 72 -8.547 6.270 7.542 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.078 9.094 6.641 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.362 8.854 6.975 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.157 7.359 7.866 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.963 8.452 9.946 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.319 9.921 9.239 1.00 0.00 H new ATOM 1031 N CYS A 73 -7.500 8.033 9.708 1.00 0.00 N ATOM 1032 CA CYS A 73 -6.731 8.397 10.930 1.00 0.00 C ATOM 1033 C CYS A 73 -5.305 8.751 10.538 1.00 0.00 C ATOM 1034 O CYS A 73 -4.622 9.490 11.220 1.00 0.00 O ATOM 1035 CB CYS A 73 -6.755 7.144 11.807 1.00 0.00 C ATOM 1036 SG CYS A 73 -7.759 7.458 13.281 1.00 0.00 S ATOM 0 H CYS A 73 -8.037 7.168 9.774 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.151 9.257 11.453 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -7.165 6.303 11.247 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -5.740 6.870 12.097 1.00 0.00 H new ATOM 0 HG CYS A 73 -7.782 6.393 14.026 1.00 0.00 H new ATOM 1042 N VAL A 74 -4.861 8.248 9.428 1.00 0.00 N ATOM 1043 CA VAL A 74 -3.490 8.572 8.970 1.00 0.00 C ATOM 1044 C VAL A 74 -3.490 9.952 8.312 1.00 0.00 C ATOM 1045 O VAL A 74 -3.144 10.108 7.167 1.00 0.00 O ATOM 1046 CB VAL A 74 -3.151 7.498 7.951 1.00 0.00 C ATOM 1047 CG1 VAL A 74 -3.181 6.123 8.621 1.00 0.00 C ATOM 1048 CG2 VAL A 74 -4.171 7.543 6.819 1.00 0.00 C ATOM 0 H VAL A 74 -5.389 7.625 8.817 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.767 8.596 9.785 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.153 7.675 7.550 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.937 5.355 7.887 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.451 6.096 9.430 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.176 5.936 9.024 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.933 6.774 6.084 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.168 7.365 7.221 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.142 8.523 6.342 1.00 0.00 H new ATOM 1058 N THR A 75 -3.906 10.944 9.036 1.00 0.00 N ATOM 1059 CA THR A 75 -3.963 12.335 8.486 1.00 0.00 C ATOM 1060 C THR A 75 -2.651 12.749 7.788 1.00 0.00 C ATOM 1061 O THR A 75 -1.871 13.510 8.326 1.00 0.00 O ATOM 1062 CB THR A 75 -4.153 13.197 9.727 1.00 0.00 C ATOM 1063 OG1 THR A 75 -4.302 14.557 9.343 1.00 0.00 O ATOM 1064 CG2 THR A 75 -2.918 13.040 10.619 1.00 0.00 C ATOM 0 H THR A 75 -4.216 10.857 10.004 1.00 0.00 H new ATOM 0 HA THR A 75 -4.748 12.433 7.736 1.00 0.00 H new ATOM 0 HB THR A 75 -5.045 12.885 10.270 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.426 15.111 10.142 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.036 13.651 11.514 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.807 11.994 10.905 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.032 13.363 10.073 1.00 0.00 H new ATOM 1072 N ALA A 76 -2.416 12.288 6.589 1.00 0.00 N ATOM 1073 CA ALA A 76 -1.176 12.693 5.855 1.00 0.00 C ATOM 1074 C ALA A 76 -1.559 13.150 4.450 1.00 0.00 C ATOM 1075 O ALA A 76 -1.186 12.534 3.472 1.00 0.00 O ATOM 1076 CB ALA A 76 -0.301 11.440 5.784 1.00 0.00 C ATOM 0 H ALA A 76 -3.028 11.648 6.083 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.651 13.511 6.348 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.624 11.672 5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.068 11.101 6.793 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.835 10.653 5.251 1.00 0.00 H new ATOM 1082 N GLU A 77 -2.323 14.207 4.348 1.00 0.00 N ATOM 1083 CA GLU A 77 -2.763 14.695 3.006 1.00 0.00 C ATOM 1084 C GLU A 77 -3.096 13.503 2.118 1.00 0.00 C ATOM 1085 O GLU A 77 -2.531 13.318 1.058 1.00 0.00 O ATOM 1086 CB GLU A 77 -1.593 15.511 2.444 1.00 0.00 C ATOM 1087 CG GLU A 77 -0.350 14.628 2.312 1.00 0.00 C ATOM 1088 CD GLU A 77 0.709 15.360 1.487 1.00 0.00 C ATOM 1089 OE1 GLU A 77 0.330 16.139 0.628 1.00 0.00 O ATOM 1090 OE2 GLU A 77 1.884 15.129 1.727 1.00 0.00 O ATOM 0 H GLU A 77 -2.662 14.755 5.139 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.660 15.312 3.061 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.861 15.923 1.471 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.381 16.355 3.100 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.045 14.387 3.299 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.611 13.684 1.834 1.00 0.00 H new ATOM 1097 N LEU A 78 -4.019 12.700 2.569 1.00 0.00 N ATOM 1098 CA LEU A 78 -4.446 11.496 1.806 1.00 0.00 C ATOM 1099 C LEU A 78 -4.313 11.711 0.299 1.00 0.00 C ATOM 1100 O LEU A 78 -4.650 12.754 -0.224 1.00 0.00 O ATOM 1101 CB LEU A 78 -5.906 11.328 2.194 1.00 0.00 C ATOM 1102 CG LEU A 78 -6.162 9.867 2.566 1.00 0.00 C ATOM 1103 CD1 LEU A 78 -5.325 9.488 3.786 1.00 0.00 C ATOM 1104 CD2 LEU A 78 -7.638 9.675 2.895 1.00 0.00 C ATOM 0 H LEU A 78 -4.506 12.832 3.456 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.835 10.622 2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.148 11.978 3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.551 11.624 1.367 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.886 9.232 1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.512 8.446 4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.268 9.621 3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.597 10.126 4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.819 8.633 3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.910 10.315 3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.242 9.939 2.027 1.00 0.00 H new ATOM 1116 N LYS A 79 -3.833 10.723 -0.402 1.00 0.00 N ATOM 1117 CA LYS A 79 -3.687 10.862 -1.879 1.00 0.00 C ATOM 1118 C LYS A 79 -4.941 10.319 -2.557 1.00 0.00 C ATOM 1119 O LYS A 79 -5.750 9.667 -1.927 1.00 0.00 O ATOM 1120 CB LYS A 79 -2.472 10.005 -2.266 1.00 0.00 C ATOM 1121 CG LYS A 79 -1.392 10.099 -1.188 1.00 0.00 C ATOM 1122 CD LYS A 79 -1.041 11.555 -0.951 1.00 0.00 C ATOM 1123 CE LYS A 79 0.291 11.867 -1.628 1.00 0.00 C ATOM 1124 NZ LYS A 79 0.312 13.349 -1.775 1.00 0.00 N ATOM 0 H LYS A 79 -3.536 9.826 -0.018 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.554 11.900 -2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.777 8.967 -2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.071 10.341 -3.222 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -1.746 9.644 -0.263 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.505 9.546 -1.497 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.825 12.200 -1.349 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.975 11.756 0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.130 11.518 -1.026 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.366 11.373 -2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.199 13.640 -2.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.494 13.652 -2.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.246 13.792 -0.836 1.00 0.00 H new ATOM 1138 N PRO A 80 -5.056 10.581 -3.826 1.00 0.00 N ATOM 1139 CA PRO A 80 -6.219 10.079 -4.588 1.00 0.00 C ATOM 1140 C PRO A 80 -6.138 8.559 -4.681 1.00 0.00 C ATOM 1141 O PRO A 80 -7.131 7.875 -4.837 1.00 0.00 O ATOM 1142 CB PRO A 80 -6.053 10.723 -5.961 1.00 0.00 C ATOM 1143 CG PRO A 80 -4.596 11.032 -6.065 1.00 0.00 C ATOM 1144 CD PRO A 80 -4.132 11.346 -4.669 1.00 0.00 C ATOM 0 HA PRO A 80 -7.182 10.317 -4.136 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.372 10.048 -6.755 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.656 11.627 -6.049 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.047 10.185 -6.476 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.424 11.877 -6.732 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.097 11.041 -4.511 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.186 12.414 -4.458 1.00 0.00 H new ATOM 1152 N ASN A 81 -4.952 8.031 -4.590 1.00 0.00 N ATOM 1153 CA ASN A 81 -4.780 6.557 -4.675 1.00 0.00 C ATOM 1154 C ASN A 81 -4.302 5.963 -3.338 1.00 0.00 C ATOM 1155 O ASN A 81 -4.008 4.787 -3.256 1.00 0.00 O ATOM 1156 CB ASN A 81 -3.732 6.346 -5.771 1.00 0.00 C ATOM 1157 CG ASN A 81 -2.323 6.522 -5.195 1.00 0.00 C ATOM 1158 OD1 ASN A 81 -1.907 5.770 -4.337 1.00 0.00 O ATOM 1159 ND2 ASN A 81 -1.568 7.490 -5.635 1.00 0.00 N ATOM 0 H ASN A 81 -4.090 8.560 -4.460 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.722 6.056 -4.900 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.837 5.348 -6.197 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.893 7.057 -6.581 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.628 7.615 -5.259 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.917 8.122 -6.356 1.00 0.00 H new ATOM 1166 N SER A 82 -4.210 6.747 -2.292 1.00 0.00 N ATOM 1167 CA SER A 82 -3.739 6.179 -0.990 1.00 0.00 C ATOM 1168 C SER A 82 -4.481 4.888 -0.647 1.00 0.00 C ATOM 1169 O SER A 82 -5.658 4.741 -0.908 1.00 0.00 O ATOM 1170 CB SER A 82 -4.081 7.242 0.045 1.00 0.00 C ATOM 1171 OG SER A 82 -3.326 8.401 -0.229 1.00 0.00 O ATOM 0 H SER A 82 -4.437 7.741 -2.281 1.00 0.00 H new ATOM 0 HA SER A 82 -2.677 5.938 -1.026 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.147 7.470 0.015 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.861 6.877 1.048 1.00 0.00 H new ATOM 0 HG SER A 82 -2.379 8.224 -0.051 1.00 0.00 H new ATOM 1177 N ARG A 83 -3.791 3.963 -0.044 1.00 0.00 N ATOM 1178 CA ARG A 83 -4.430 2.679 0.351 1.00 0.00 C ATOM 1179 C ARG A 83 -3.657 2.075 1.526 1.00 0.00 C ATOM 1180 O ARG A 83 -2.512 2.405 1.758 1.00 0.00 O ATOM 1181 CB ARG A 83 -4.312 1.761 -0.872 1.00 0.00 C ATOM 1182 CG ARG A 83 -5.274 2.210 -1.975 1.00 0.00 C ATOM 1183 CD ARG A 83 -6.697 2.279 -1.421 1.00 0.00 C ATOM 1184 NE ARG A 83 -7.507 1.405 -2.314 1.00 0.00 N ATOM 1185 CZ ARG A 83 -7.454 1.561 -3.609 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -7.798 2.700 -4.144 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -7.057 0.577 -4.369 1.00 0.00 N ATOM 0 H ARG A 83 -2.802 4.042 0.194 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.468 2.812 0.654 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.288 1.774 -1.247 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.533 0.733 -0.585 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.974 3.186 -2.357 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.233 1.514 -2.812 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.735 1.930 -0.389 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.072 3.302 -1.426 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.105 0.683 -1.913 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.109 3.469 -3.550 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.756 2.821 -5.156 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.788 -0.314 -3.951 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.016 0.699 -5.381 1.00 0.00 H new ATOM 1201 N LEU A 84 -4.262 1.189 2.261 1.00 0.00 N ATOM 1202 CA LEU A 84 -3.542 0.568 3.409 1.00 0.00 C ATOM 1203 C LEU A 84 -2.710 -0.623 2.927 1.00 0.00 C ATOM 1204 O LEU A 84 -3.125 -1.361 2.056 1.00 0.00 O ATOM 1205 CB LEU A 84 -4.644 0.114 4.371 1.00 0.00 C ATOM 1206 CG LEU A 84 -4.412 0.783 5.711 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -5.405 0.223 6.714 1.00 0.00 C ATOM 1208 CD2 LEU A 84 -2.989 0.478 6.162 1.00 0.00 C ATOM 0 H LEU A 84 -5.220 0.867 2.120 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.850 1.259 3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.625 0.381 3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.629 -0.970 4.480 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.548 1.862 5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.249 0.696 7.683 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.420 0.423 6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.260 -0.853 6.808 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.803 0.952 7.126 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.861 -0.600 6.257 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.284 0.864 5.426 1.00 0.00 H new ATOM 1220 N SER A 85 -1.533 -0.822 3.484 1.00 0.00 N ATOM 1221 CA SER A 85 -0.703 -1.977 3.032 1.00 0.00 C ATOM 1222 C SER A 85 -1.592 -3.214 2.917 1.00 0.00 C ATOM 1223 O SER A 85 -1.311 -4.140 2.181 1.00 0.00 O ATOM 1224 CB SER A 85 0.358 -2.206 4.093 1.00 0.00 C ATOM 1225 OG SER A 85 -0.127 -3.143 5.042 1.00 0.00 O ATOM 0 H SER A 85 -1.123 -0.244 4.217 1.00 0.00 H new ATOM 0 HA SER A 85 -0.244 -1.782 2.063 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.275 -2.576 3.634 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.606 -1.266 4.586 1.00 0.00 H new ATOM 0 HG SER A 85 -1.039 -2.900 5.305 1.00 0.00 H new ATOM 1231 N CYS A 86 -2.663 -3.233 3.672 1.00 0.00 N ATOM 1232 CA CYS A 86 -3.588 -4.403 3.658 1.00 0.00 C ATOM 1233 C CYS A 86 -4.894 -4.028 2.963 1.00 0.00 C ATOM 1234 O CYS A 86 -5.968 -4.390 3.396 1.00 0.00 O ATOM 1235 CB CYS A 86 -3.809 -4.744 5.135 1.00 0.00 C ATOM 1236 SG CYS A 86 -2.208 -4.619 5.963 1.00 0.00 S ATOM 0 H CYS A 86 -2.936 -2.479 4.303 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.187 -5.256 3.111 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.528 -4.059 5.584 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.218 -5.749 5.240 1.00 0.00 H new ATOM 1241 N GLN A 87 -4.805 -3.288 1.889 1.00 0.00 N ATOM 1242 CA GLN A 87 -6.035 -2.867 1.169 1.00 0.00 C ATOM 1243 C GLN A 87 -6.028 -3.322 -0.286 1.00 0.00 C ATOM 1244 O GLN A 87 -6.999 -3.854 -0.786 1.00 0.00 O ATOM 1245 CB GLN A 87 -6.014 -1.341 1.227 1.00 0.00 C ATOM 1246 CG GLN A 87 -7.300 -0.807 0.606 1.00 0.00 C ATOM 1247 CD GLN A 87 -8.484 -1.485 1.286 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -9.531 -1.659 0.695 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -8.353 -1.880 2.520 1.00 0.00 N ATOM 0 H GLN A 87 -3.930 -2.958 1.481 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.924 -3.306 1.623 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.926 -1.004 2.260 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.147 -0.955 0.690 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.360 0.274 0.730 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.314 -1.006 -0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.472 -1.732 3.012 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.131 -2.338 2.994 1.00 0.00 H new ATOM 1258 N ILE A 88 -4.959 -3.088 -0.973 1.00 0.00 N ATOM 1259 CA ILE A 88 -4.908 -3.480 -2.412 1.00 0.00 C ATOM 1260 C ILE A 88 -4.435 -4.919 -2.572 1.00 0.00 C ATOM 1261 O ILE A 88 -3.708 -5.451 -1.757 1.00 0.00 O ATOM 1262 CB ILE A 88 -3.907 -2.547 -3.089 1.00 0.00 C ATOM 1263 CG1 ILE A 88 -3.926 -1.162 -2.431 1.00 0.00 C ATOM 1264 CG2 ILE A 88 -4.276 -2.414 -4.566 1.00 0.00 C ATOM 1265 CD1 ILE A 88 -3.193 -0.159 -3.326 1.00 0.00 C ATOM 0 H ILE A 88 -4.115 -2.644 -0.610 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.901 -3.404 -2.855 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.905 -2.964 -2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.954 -0.838 -2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.450 -1.207 -1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.567 -1.749 -5.060 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.243 -3.395 -5.039 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.281 -2.002 -4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.207 0.825 -2.857 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.161 -0.481 -3.463 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.689 -0.106 -4.295 1.00 0.00 H new ATOM 1277 N ILE A 89 -4.832 -5.535 -3.643 1.00 0.00 N ATOM 1278 CA ILE A 89 -4.408 -6.929 -3.915 1.00 0.00 C ATOM 1279 C ILE A 89 -3.461 -6.944 -5.115 1.00 0.00 C ATOM 1280 O ILE A 89 -3.474 -6.050 -5.938 1.00 0.00 O ATOM 1281 CB ILE A 89 -5.701 -7.683 -4.224 1.00 0.00 C ATOM 1282 CG1 ILE A 89 -6.461 -7.966 -2.922 1.00 0.00 C ATOM 1283 CG2 ILE A 89 -5.365 -9.001 -4.916 1.00 0.00 C ATOM 1284 CD1 ILE A 89 -5.499 -8.504 -1.860 1.00 0.00 C ATOM 0 H ILE A 89 -5.441 -5.126 -4.352 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.875 -7.384 -3.080 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.326 -7.075 -4.878 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.938 -7.053 -2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.255 -8.690 -3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.286 -9.541 -5.137 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.831 -8.799 -5.844 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.738 -9.606 -4.261 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.047 -8.702 -0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.043 -9.428 -2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.720 -7.766 -1.667 1.00 0.00 H new ATOM 1296 N MET A 90 -2.640 -7.945 -5.222 1.00 0.00 N ATOM 1297 CA MET A 90 -1.691 -8.010 -6.365 1.00 0.00 C ATOM 1298 C MET A 90 -2.088 -9.139 -7.313 1.00 0.00 C ATOM 1299 O MET A 90 -1.685 -10.273 -7.152 1.00 0.00 O ATOM 1300 CB MET A 90 -0.335 -8.295 -5.719 1.00 0.00 C ATOM 1301 CG MET A 90 0.697 -7.229 -6.116 1.00 0.00 C ATOM 1302 SD MET A 90 -0.012 -5.569 -5.977 1.00 0.00 S ATOM 1303 CE MET A 90 -0.359 -5.347 -7.742 1.00 0.00 C ATOM 0 H MET A 90 -2.584 -8.724 -4.566 1.00 0.00 H new ATOM 0 HA MET A 90 -1.679 -7.095 -6.957 1.00 0.00 H new ATOM 0 HB2 MET A 90 -0.442 -8.317 -4.634 1.00 0.00 H new ATOM 0 HB3 MET A 90 0.018 -9.280 -6.025 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.575 -7.310 -5.475 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.031 -7.403 -7.139 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.922 -4.425 -7.889 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.580 -5.290 -8.293 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.944 -6.192 -8.107 1.00 0.00 H new ATOM 1313 N THR A 91 -2.870 -8.831 -8.306 1.00 0.00 N ATOM 1314 CA THR A 91 -3.290 -9.881 -9.274 1.00 0.00 C ATOM 1315 C THR A 91 -2.168 -10.133 -10.282 1.00 0.00 C ATOM 1316 O THR A 91 -1.188 -9.415 -10.312 1.00 0.00 O ATOM 1317 CB THR A 91 -4.524 -9.305 -9.968 1.00 0.00 C ATOM 1318 OG1 THR A 91 -4.386 -7.896 -10.077 1.00 0.00 O ATOM 1319 CG2 THR A 91 -5.771 -9.636 -9.149 1.00 0.00 C ATOM 0 H THR A 91 -3.237 -7.898 -8.490 1.00 0.00 H new ATOM 0 HA THR A 91 -3.507 -10.835 -8.793 1.00 0.00 H new ATOM 0 HB THR A 91 -4.620 -9.740 -10.963 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.266 -7.474 -9.993 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.651 -9.225 -9.644 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.874 -10.718 -9.064 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.679 -9.201 -8.154 1.00 0.00 H new ATOM 1327 N PRO A 92 -2.349 -11.149 -11.079 1.00 0.00 N ATOM 1328 CA PRO A 92 -1.339 -11.498 -12.098 1.00 0.00 C ATOM 1329 C PRO A 92 -1.463 -10.568 -13.309 1.00 0.00 C ATOM 1330 O PRO A 92 -0.707 -10.657 -14.255 1.00 0.00 O ATOM 1331 CB PRO A 92 -1.677 -12.941 -12.456 1.00 0.00 C ATOM 1332 CG PRO A 92 -3.126 -13.115 -12.114 1.00 0.00 C ATOM 1333 CD PRO A 92 -3.500 -12.054 -11.106 1.00 0.00 C ATOM 0 HA PRO A 92 -0.312 -11.391 -11.749 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.498 -13.134 -13.514 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.056 -13.639 -11.895 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.742 -13.024 -13.009 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.304 -14.109 -11.704 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.409 -11.530 -11.401 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.686 -12.488 -10.124 1.00 0.00 H new ATOM 1341 N GLU A 93 -2.403 -9.662 -13.273 1.00 0.00 N ATOM 1342 CA GLU A 93 -2.566 -8.708 -14.409 1.00 0.00 C ATOM 1343 C GLU A 93 -2.147 -7.304 -13.959 1.00 0.00 C ATOM 1344 O GLU A 93 -1.641 -6.516 -14.734 1.00 0.00 O ATOM 1345 CB GLU A 93 -4.055 -8.752 -14.771 1.00 0.00 C ATOM 1346 CG GLU A 93 -4.898 -8.250 -13.597 1.00 0.00 C ATOM 1347 CD GLU A 93 -6.182 -9.077 -13.500 1.00 0.00 C ATOM 1348 OE1 GLU A 93 -6.158 -10.097 -12.832 1.00 0.00 O ATOM 1349 OE2 GLU A 93 -7.168 -8.675 -14.098 1.00 0.00 O ATOM 0 H GLU A 93 -3.065 -9.541 -12.507 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.948 -8.968 -15.268 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -4.241 -8.137 -15.651 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.345 -9.771 -15.027 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.331 -8.328 -12.669 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.141 -7.196 -13.734 1.00 0.00 H new ATOM 1356 N LEU A 94 -2.338 -6.997 -12.703 1.00 0.00 N ATOM 1357 CA LEU A 94 -1.935 -5.658 -12.178 1.00 0.00 C ATOM 1358 C LEU A 94 -0.588 -5.785 -11.502 1.00 0.00 C ATOM 1359 O LEU A 94 -0.408 -5.429 -10.355 1.00 0.00 O ATOM 1360 CB LEU A 94 -2.999 -5.302 -11.158 1.00 0.00 C ATOM 1361 CG LEU A 94 -4.380 -5.564 -11.752 1.00 0.00 C ATOM 1362 CD1 LEU A 94 -5.426 -4.826 -10.920 1.00 0.00 C ATOM 1363 CD2 LEU A 94 -4.416 -5.066 -13.202 1.00 0.00 C ATOM 0 H LEU A 94 -2.759 -7.620 -12.014 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.853 -4.901 -12.958 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.863 -5.893 -10.253 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.907 -4.254 -10.871 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.594 -6.633 -11.740 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.417 -5.007 -11.337 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.394 -5.186 -9.892 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.216 -3.757 -10.936 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.402 -5.253 -13.627 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.208 -3.996 -13.225 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.663 -5.594 -13.787 1.00 0.00 H new ATOM 1375 N ASP A 95 0.340 -6.347 -12.195 1.00 0.00 N ATOM 1376 CA ASP A 95 1.672 -6.575 -11.594 1.00 0.00 C ATOM 1377 C ASP A 95 2.707 -5.537 -12.016 1.00 0.00 C ATOM 1378 O ASP A 95 2.691 -5.023 -13.117 1.00 0.00 O ATOM 1379 CB ASP A 95 2.063 -7.963 -12.087 1.00 0.00 C ATOM 1380 CG ASP A 95 1.981 -8.005 -13.613 1.00 0.00 C ATOM 1381 OD1 ASP A 95 0.878 -7.934 -14.131 1.00 0.00 O ATOM 1382 OD2 ASP A 95 3.023 -8.105 -14.241 1.00 0.00 O ATOM 0 H ASP A 95 0.238 -6.663 -13.160 1.00 0.00 H new ATOM 0 HA ASP A 95 1.635 -6.493 -10.508 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.074 -8.205 -11.760 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.400 -8.713 -11.656 1.00 0.00 H new ATOM 1387 N GLY A 96 3.613 -5.236 -11.120 1.00 0.00 N ATOM 1388 CA GLY A 96 4.664 -4.224 -11.415 1.00 0.00 C ATOM 1389 C GLY A 96 4.233 -2.919 -10.776 1.00 0.00 C ATOM 1390 O GLY A 96 4.532 -1.844 -11.253 1.00 0.00 O ATOM 0 H GLY A 96 3.667 -5.653 -10.191 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.627 -4.545 -11.019 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.787 -4.102 -12.491 1.00 0.00 H new ATOM 1394 N ILE A 97 3.480 -3.014 -9.723 1.00 0.00 N ATOM 1395 CA ILE A 97 2.947 -1.790 -9.082 1.00 0.00 C ATOM 1396 C ILE A 97 3.955 -1.061 -8.199 1.00 0.00 C ATOM 1397 O ILE A 97 4.518 -1.603 -7.269 1.00 0.00 O ATOM 1398 CB ILE A 97 1.752 -2.270 -8.255 1.00 0.00 C ATOM 1399 CG1 ILE A 97 1.156 -1.082 -7.478 1.00 0.00 C ATOM 1400 CG2 ILE A 97 2.199 -3.376 -7.293 1.00 0.00 C ATOM 1401 CD1 ILE A 97 1.843 -0.920 -6.119 1.00 0.00 C ATOM 0 H ILE A 97 3.210 -3.891 -9.277 1.00 0.00 H new ATOM 0 HA ILE A 97 2.681 -1.056 -9.843 1.00 0.00 H new ATOM 0 HB ILE A 97 0.987 -2.676 -8.916 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.271 -0.167 -8.060 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.087 -1.236 -7.334 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.345 -3.715 -6.706 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.603 -4.213 -7.863 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.968 -2.988 -6.625 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.405 -0.075 -5.588 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.706 -1.828 -5.531 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.908 -0.742 -6.269 1.00 0.00 H new ATOM 1413 N VAL A 98 4.136 0.196 -8.483 1.00 0.00 N ATOM 1414 CA VAL A 98 5.049 1.046 -7.675 1.00 0.00 C ATOM 1415 C VAL A 98 4.298 1.532 -6.432 1.00 0.00 C ATOM 1416 O VAL A 98 3.279 2.184 -6.539 1.00 0.00 O ATOM 1417 CB VAL A 98 5.368 2.236 -8.578 1.00 0.00 C ATOM 1418 CG1 VAL A 98 6.545 3.020 -7.996 1.00 0.00 C ATOM 1419 CG2 VAL A 98 5.731 1.734 -9.977 1.00 0.00 C ATOM 0 H VAL A 98 3.680 0.679 -9.257 1.00 0.00 H new ATOM 0 HA VAL A 98 5.947 0.520 -7.351 1.00 0.00 H new ATOM 0 HB VAL A 98 4.495 2.886 -8.641 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.772 3.869 -8.641 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.286 3.380 -7.000 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.418 2.371 -7.931 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.958 2.584 -10.621 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.602 1.082 -9.915 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.891 1.178 -10.393 1.00 0.00 H new ATOM 1429 N VAL A 99 4.772 1.229 -5.257 1.00 0.00 N ATOM 1430 CA VAL A 99 4.048 1.694 -4.038 1.00 0.00 C ATOM 1431 C VAL A 99 4.778 2.846 -3.415 1.00 0.00 C ATOM 1432 O VAL A 99 5.790 3.306 -3.897 1.00 0.00 O ATOM 1433 CB VAL A 99 4.095 0.554 -3.028 1.00 0.00 C ATOM 1434 CG1 VAL A 99 2.882 0.598 -2.104 1.00 0.00 C ATOM 1435 CG2 VAL A 99 4.136 -0.762 -3.747 1.00 0.00 C ATOM 0 H VAL A 99 5.619 0.686 -5.086 1.00 0.00 H new ATOM 0 HA VAL A 99 3.033 1.989 -4.303 1.00 0.00 H new ATOM 0 HB VAL A 99 4.995 0.667 -2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.937 -0.225 -1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.870 1.545 -1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.971 0.506 -2.695 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.170 -1.573 -3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.245 -0.866 -4.366 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.023 -0.804 -4.379 1.00 0.00 H new ATOM 1445 N ASP A 100 4.293 3.259 -2.304 1.00 0.00 N ATOM 1446 CA ASP A 100 4.968 4.331 -1.563 1.00 0.00 C ATOM 1447 C ASP A 100 4.493 4.319 -0.122 1.00 0.00 C ATOM 1448 O ASP A 100 3.319 4.210 0.156 1.00 0.00 O ATOM 1449 CB ASP A 100 4.590 5.649 -2.227 1.00 0.00 C ATOM 1450 CG ASP A 100 5.299 5.781 -3.576 1.00 0.00 C ATOM 1451 OD1 ASP A 100 6.467 6.134 -3.578 1.00 0.00 O ATOM 1452 OD2 ASP A 100 4.663 5.526 -4.586 1.00 0.00 O ATOM 0 H ASP A 100 3.445 2.897 -1.868 1.00 0.00 H new ATOM 0 HA ASP A 100 6.050 4.197 -1.572 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.510 5.697 -2.369 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.864 6.483 -1.580 1.00 0.00 H new ATOM 1457 N VAL A 101 5.384 4.456 0.793 1.00 0.00 N ATOM 1458 CA VAL A 101 4.961 4.483 2.217 1.00 0.00 C ATOM 1459 C VAL A 101 4.817 5.951 2.637 1.00 0.00 C ATOM 1460 O VAL A 101 5.772 6.702 2.623 1.00 0.00 O ATOM 1461 CB VAL A 101 6.055 3.750 3.001 1.00 0.00 C ATOM 1462 CG1 VAL A 101 6.096 4.260 4.444 1.00 0.00 C ATOM 1463 CG2 VAL A 101 5.748 2.241 3.008 1.00 0.00 C ATOM 0 H VAL A 101 6.386 4.551 0.629 1.00 0.00 H new ATOM 0 HA VAL A 101 4.004 3.995 2.400 1.00 0.00 H new ATOM 0 HB VAL A 101 7.019 3.933 2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.876 3.734 4.994 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.309 5.329 4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.132 4.081 4.921 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.523 1.715 3.565 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.781 2.069 3.481 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.722 1.870 1.983 1.00 0.00 H new ATOM 1473 N PRO A 102 3.605 6.313 2.955 1.00 0.00 N ATOM 1474 CA PRO A 102 3.277 7.716 3.339 1.00 0.00 C ATOM 1475 C PRO A 102 4.018 8.166 4.598 1.00 0.00 C ATOM 1476 O PRO A 102 4.746 7.412 5.212 1.00 0.00 O ATOM 1477 CB PRO A 102 1.777 7.663 3.592 1.00 0.00 C ATOM 1478 CG PRO A 102 1.499 6.228 3.891 1.00 0.00 C ATOM 1479 CD PRO A 102 2.422 5.453 3.008 1.00 0.00 C ATOM 0 HA PRO A 102 3.572 8.431 2.571 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.492 8.305 4.426 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.215 8.003 2.722 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.680 6.003 4.942 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.458 5.979 3.686 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.652 4.472 3.423 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.995 5.289 2.019 1.00 0.00 H new ATOM 1487 N ASP A 103 3.833 9.405 4.981 1.00 0.00 N ATOM 1488 CA ASP A 103 4.524 9.919 6.197 1.00 0.00 C ATOM 1489 C ASP A 103 3.539 10.171 7.336 1.00 0.00 C ATOM 1490 O ASP A 103 2.860 11.178 7.390 1.00 0.00 O ATOM 1491 CB ASP A 103 5.217 11.213 5.764 1.00 0.00 C ATOM 1492 CG ASP A 103 4.262 12.046 4.907 1.00 0.00 C ATOM 1493 OD1 ASP A 103 3.949 11.612 3.811 1.00 0.00 O ATOM 1494 OD2 ASP A 103 3.860 13.105 5.363 1.00 0.00 O ATOM 0 H ASP A 103 3.234 10.079 4.504 1.00 0.00 H new ATOM 0 HA ASP A 103 5.240 9.193 6.582 1.00 0.00 H new ATOM 0 HB2 ASP A 103 5.526 11.783 6.640 1.00 0.00 H new ATOM 0 HB3 ASP A 103 6.120 10.982 5.200 1.00 0.00 H new ATOM 1499 N ARG A 104 3.482 9.248 8.246 1.00 0.00 N ATOM 1500 CA ARG A 104 2.575 9.372 9.415 1.00 0.00 C ATOM 1501 C ARG A 104 3.271 10.128 10.552 1.00 0.00 C ATOM 1502 O ARG A 104 2.745 11.083 11.086 1.00 0.00 O ATOM 1503 CB ARG A 104 2.301 7.923 9.815 1.00 0.00 C ATOM 1504 CG ARG A 104 1.340 7.312 8.801 1.00 0.00 C ATOM 1505 CD ARG A 104 0.085 8.168 8.762 1.00 0.00 C ATOM 1506 NE ARG A 104 0.235 8.941 7.509 1.00 0.00 N ATOM 1507 CZ ARG A 104 -0.337 8.508 6.424 1.00 0.00 C ATOM 1508 NH1 ARG A 104 0.147 7.469 5.823 1.00 0.00 N ATOM 1509 NH2 ARG A 104 -1.417 9.072 5.971 1.00 0.00 N ATOM 0 H ARG A 104 4.038 8.393 8.229 1.00 0.00 H new ATOM 0 HA ARG A 104 1.663 9.926 9.192 1.00 0.00 H new ATOM 0 HB2 ARG A 104 3.231 7.356 9.844 1.00 0.00 H new ATOM 0 HB3 ARG A 104 1.872 7.882 10.816 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.803 7.271 7.815 1.00 0.00 H new ATOM 0 HG3 ARG A 104 1.093 6.288 9.080 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.818 7.557 8.751 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.017 8.822 9.632 1.00 0.00 H new ATOM 0 HE ARG A 104 0.780 9.803 7.496 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.969 6.998 6.201 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.294 7.121 4.972 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -1.826 9.864 6.468 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.856 8.723 5.119 1.00 0.00 H new ATOM 1523 N GLN A 105 4.448 9.707 10.923 1.00 0.00 N ATOM 1524 CA GLN A 105 5.175 10.401 12.024 1.00 0.00 C ATOM 1525 C GLN A 105 5.620 11.794 11.568 1.00 0.00 C ATOM 1526 O GLN A 105 6.643 11.952 10.932 1.00 0.00 O ATOM 1527 CB GLN A 105 6.389 9.519 12.316 1.00 0.00 C ATOM 1528 CG GLN A 105 7.278 9.446 11.073 1.00 0.00 C ATOM 1529 CD GLN A 105 7.958 8.077 11.012 1.00 0.00 C ATOM 1530 OE1 GLN A 105 7.297 7.059 10.944 1.00 0.00 O ATOM 1531 NE2 GLN A 105 9.262 8.008 11.032 1.00 0.00 N ATOM 0 H GLN A 105 4.938 8.913 10.512 1.00 0.00 H new ATOM 0 HA GLN A 105 4.551 10.540 12.907 1.00 0.00 H new ATOM 0 HB2 GLN A 105 6.953 9.925 13.156 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.064 8.519 12.603 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.681 9.608 10.176 1.00 0.00 H new ATOM 0 HG3 GLN A 105 8.029 10.236 11.103 1.00 0.00 H new ATOM 0 HE21 GLN A 105 9.817 8.862 11.089 1.00 0.00 H new ATOM 0 HE22 GLN A 105 9.725 7.100 10.991 1.00 0.00 H new ATOM 1540 N TRP A 106 4.860 12.804 11.887 1.00 0.00 N ATOM 1541 CA TRP A 106 5.239 14.185 11.472 1.00 0.00 C ATOM 1542 C TRP A 106 6.427 14.680 12.302 1.00 0.00 C ATOM 1543 O TRP A 106 6.299 14.723 13.515 1.00 0.00 O ATOM 1544 CB TRP A 106 4.000 15.037 11.747 1.00 0.00 C ATOM 1545 CG TRP A 106 3.563 15.704 10.483 1.00 0.00 C ATOM 1546 CD1 TRP A 106 2.290 15.737 10.023 1.00 0.00 C ATOM 1547 CD2 TRP A 106 4.369 16.430 9.511 1.00 0.00 C ATOM 1548 NE1 TRP A 106 2.266 16.439 8.830 1.00 0.00 N ATOM 1549 CE2 TRP A 106 3.521 16.885 8.473 1.00 0.00 C ATOM 1550 CE3 TRP A 106 5.742 16.735 9.430 1.00 0.00 C ATOM 1551 CZ2 TRP A 106 4.018 17.618 7.392 1.00 0.00 C ATOM 1552 CZ3 TRP A 106 6.245 17.472 8.345 1.00 0.00 C ATOM 1553 CH2 TRP A 106 5.384 17.912 7.328 1.00 0.00 C ATOM 1554 OXT TRP A 106 7.443 15.006 11.711 1.00 0.00 O ATOM 0 H TRP A 106 3.992 12.734 12.418 1.00 0.00 H new ATOM 0 HA TRP A 106 5.541 14.233 10.426 1.00 0.00 H new ATOM 0 HB2 TRP A 106 3.196 14.413 12.138 1.00 0.00 H new ATOM 0 HB3 TRP A 106 4.222 15.785 12.508 1.00 0.00 H new ATOM 0 HD1 TRP A 106 1.434 15.290 10.507 1.00 0.00 H new ATOM 0 HE1 TRP A 106 1.422 16.606 8.282 1.00 0.00 H new ATOM 0 HE3 TRP A 106 6.413 16.400 10.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 3.352 17.955 6.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 7.299 17.701 8.293 1.00 0.00 H new ATOM 0 HH2 TRP A 106 5.776 18.478 6.496 1.00 0.00 H new TER 1565 TRP A 106 HETATM 1566 GA GA A 107 -1.997 -3.480 7.906 1.00 0.00 GA